data_18281 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18281 _Entry.PDB_ID 2LPX 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 18281 _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 3 3 VAL N N 3 119.910 119.910 121.927 -2.017 18281 2 1 1 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.110 0.810 18281 3 1 1 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.710 -0.690 18281 4 1 1 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.158 0.972 18281 5 1 1 . 1 1 3 3 VAL H H 3 7.630 7.630 7.547 0.083 18281 6 1 1 . 1 1 4 4 TYR N N 4 119.930 119.930 125.245 -5.315 18281 7 1 1 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.749 -0.079 18281 8 1 1 . 1 1 4 4 TYR C C 4 174.670 174.670 175.753 -1.083 18281 9 1 1 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.197 0.274 18281 10 1 1 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.173 1.097 18281 11 1 1 . 1 1 4 4 TYR H H 4 8.660 8.660 8.481 0.179 18281 12 1 1 . 1 1 5 5 THR N N 5 119.930 119.930 118.939 0.991 18281 13 1 1 . 1 1 5 5 THR HA H 5 5.290 5.290 4.883 0.407 18281 14 1 1 . 1 1 5 5 THR C C 5 173.180 173.180 173.603 -0.423 18281 15 1 1 . 1 1 5 5 THR CA C 5 61.780 61.780 61.821 -0.041 18281 16 1 1 . 1 1 5 5 THR CB C 5 70.360 70.360 69.811 0.549 18281 17 1 1 . 1 1 5 5 THR H H 5 8.230 8.230 8.513 -0.283 18281 18 1 1 . 1 1 6 6 TYR N N 6 125.060 125.060 125.837 -0.777 18281 19 1 1 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.803 0.487 18281 20 1 1 . 1 1 6 6 TYR C C 6 174.380 174.380 173.237 1.143 18281 21 1 1 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.952 0.158 18281 22 1 1 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.287 -0.437 18281 23 1 1 . 1 1 6 6 TYR H H 6 9.210 9.210 8.652 0.558 18281 24 1 1 . 1 1 7 7 GLU N N 7 122.360 122.360 127.186 -4.826 18281 25 1 1 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.737 0.623 18281 26 1 1 . 1 1 7 7 GLU C C 7 175.390 175.390 174.397 0.993 18281 27 1 1 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.553 0.427 18281 28 1 1 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.468 0.582 18281 29 1 1 . 1 1 7 7 GLU H H 7 8.830 8.830 7.974 0.856 18281 30 1 1 . 1 1 8 8 ASN N N 8 119.960 119.960 124.167 -4.207 18281 31 1 1 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.049 0.051 18281 32 1 1 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.227 0.393 18281 33 1 1 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.909 1.301 18281 34 1 1 . 1 1 8 8 ASN H H 8 8.800 8.800 8.948 -0.148 18281 35 1 1 . 1 1 9 9 GLU N N 9 121.420 121.420 123.654 -2.234 18281 36 1 1 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.952 0.648 18281 37 1 1 . 1 1 9 9 GLU C C 9 174.590 174.590 175.147 -0.557 18281 38 1 1 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.347 -0.577 18281 39 1 1 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.332 1.418 18281 40 1 1 . 1 1 9 9 GLU H H 9 8.330 8.330 8.659 -0.329 18281 41 1 1 . 1 1 10 10 PHE N N 10 121.240 121.240 123.884 -2.644 18281 42 1 1 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.867 0.153 18281 43 1 1 . 1 1 10 10 PHE C C 10 173.880 173.880 173.164 0.716 18281 44 1 1 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.164 -1.614 18281 45 1 1 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.414 -1.944 18281 46 1 1 . 1 1 10 10 PHE H H 10 8.760 8.760 8.507 0.253 18281 47 1 1 . 1 1 11 11 THR N N 11 113.110 113.110 117.417 -4.307 18281 48 1 1 . 1 1 11 11 THR HA H 11 5.170 5.170 4.705 0.465 18281 49 1 1 . 1 1 11 11 THR C C 11 173.530 173.530 173.684 -0.154 18281 50 1 1 . 1 1 11 11 THR CA C 11 60.940 60.940 60.253 0.687 18281 51 1 1 . 1 1 11 11 THR CB C 11 71.260 71.260 69.766 1.494 18281 52 1 1 . 1 1 11 11 THR H H 11 8.470 8.470 7.497 0.973 18281 53 1 1 . 1 1 12 12 SER N N 12 115.490 115.490 121.498 -6.008 18281 54 1 1 . 1 1 12 12 SER C C 12 173.530 173.530 173.124 0.406 18281 55 1 1 . 1 1 12 12 SER CA C 12 56.460 56.460 57.215 -0.755 18281 56 1 1 . 1 1 12 12 SER CB C 12 66.320 66.320 67.353 -1.033 18281 57 1 1 . 1 1 12 12 SER H H 12 8.870 8.870 9.041 -0.171 18281 58 1 1 . 1 1 13 13 ASP N N 13 126.650 126.650 122.098 4.552 18281 59 1 1 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.694 0.046 18281 60 1 1 . 1 1 13 13 ASP C C 13 174.520 174.520 176.150 -1.630 18281 61 1 1 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.236 0.794 18281 62 1 1 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.172 -0.172 18281 63 1 1 . 1 1 13 13 ASP H H 13 9.060 9.060 8.549 0.511 18281 64 1 1 . 1 1 14 14 ILE N N 14 123.580 123.580 115.946 7.634 18281 65 1 1 . 1 1 14 14 ILE HA H 14 4.350 4.350 4.005 0.345 18281 66 1 1 . 1 1 14 14 ILE CA C 14 57.390 57.390 60.774 -3.384 18281 67 1 1 . 1 1 14 14 ILE CB C 14 37.340 37.340 36.726 0.614 18281 68 1 1 . 1 1 14 14 ILE H H 14 8.470 8.470 8.288 0.182 18281 69 1 1 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.746 -0.306 18281 70 1 1 . 1 1 15 15 PRO C C 15 177.130 177.130 177.973 -0.843 18281 71 1 1 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.581 0.489 18281 72 1 1 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.577 0.873 18281 73 1 1 . 1 1 16 16 ALA N N 16 126.780 126.780 126.061 0.719 18281 74 1 1 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.997 0.003 18281 75 1 1 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.150 -0.050 18281 76 1 1 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.085 0.215 18281 77 1 1 . 1 1 16 16 ALA H H 16 8.570 8.570 8.540 0.030 18281 78 1 1 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.432 -0.532 18281 79 1 1 . 1 1 17 17 PRO C C 17 179.610 179.610 179.230 0.380 18281 80 1 1 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.650 0.360 18281 81 1 1 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.322 -0.422 18281 82 1 1 . 1 1 18 18 LYS N N 18 116.630 116.630 118.923 -2.293 18281 83 1 1 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.188 -0.048 18281 84 1 1 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.563 -0.293 18281 85 1 1 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.864 0.456 18281 86 1 1 . 1 1 18 18 LYS H H 18 6.710 6.710 8.065 -1.355 18281 87 1 1 . 1 1 19 19 LEU N N 19 118.930 118.930 120.734 -1.804 18281 88 1 1 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.236 -0.396 18281 89 1 1 . 1 1 19 19 LEU C C 19 178.380 178.380 178.325 0.055 18281 90 1 1 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.978 0.452 18281 91 1 1 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.867 0.223 18281 92 1 1 . 1 1 19 19 LEU H H 19 7.950 7.950 8.385 -0.435 18281 93 1 1 . 1 1 20 20 PHE N N 20 118.660 118.660 120.559 -1.899 18281 94 1 1 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.053 -0.203 18281 95 1 1 . 1 1 20 20 PHE C C 20 177.680 177.680 177.201 0.479 18281 96 1 1 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.410 0.470 18281 97 1 1 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.169 0.251 18281 98 1 1 . 1 1 20 20 PHE H H 20 9.040 9.040 8.663 0.377 18281 99 1 1 . 1 1 21 21 LYS N N 21 118.430 118.430 118.852 -0.422 18281 100 1 1 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.903 -0.133 18281 101 1 1 . 1 1 21 21 LYS C C 21 176.400 176.400 178.908 -2.508 18281 102 1 1 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.816 0.344 18281 103 1 1 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.416 0.584 18281 104 1 1 . 1 1 21 21 LYS H H 21 7.630 7.630 8.362 -0.732 18281 105 1 1 . 1 1 22 22 ALA N N 22 118.710 118.710 119.232 -0.522 18281 106 1 1 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.312 0.458 18281 107 1 1 . 1 1 22 22 ALA C C 22 175.450 175.450 178.090 -2.640 18281 108 1 1 . 1 1 22 22 ALA CA C 22 55.540 55.540 53.980 1.560 18281 109 1 1 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.210 1.990 18281 110 1 1 . 1 1 22 22 ALA H H 22 7.390 7.390 7.662 -0.272 18281 111 1 1 . 1 1 23 23 PHE N N 23 109.720 109.720 116.931 -7.211 18281 112 1 1 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.262 -0.022 18281 113 1 1 . 1 1 23 23 PHE C C 23 174.130 174.130 175.355 -1.225 18281 114 1 1 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.142 -1.822 18281 115 1 1 . 1 1 23 23 PHE CB C 23 40.440 40.440 41.016 -0.576 18281 116 1 1 . 1 1 23 23 PHE H H 23 8.400 8.400 7.382 1.018 18281 117 1 1 . 1 1 24 24 VAL N N 24 113.250 113.250 111.674 1.576 18281 118 1 1 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.618 -0.298 18281 119 1 1 . 1 1 24 24 VAL C C 24 177.660 177.660 176.903 0.757 18281 120 1 1 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.736 0.764 18281 121 1 1 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.852 -1.972 18281 122 1 1 . 1 1 24 24 VAL H H 24 7.220 7.220 7.566 -0.346 18281 123 1 1 . 1 1 25 25 LEU N N 25 116.250 116.250 120.461 -4.211 18281 124 1 1 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.163 -0.273 18281 125 1 1 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.302 0.608 18281 126 1 1 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.202 -1.202 18281 127 1 1 . 1 1 25 25 LEU H H 25 7.180 7.180 8.136 -0.956 18281 128 1 1 . 1 1 26 26 ASP N N 26 117.160 117.160 116.778 0.382 18281 129 1 1 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.637 0.663 18281 130 1 1 . 1 1 26 26 ASP C C 26 177.300 177.300 176.666 0.634 18281 131 1 1 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.221 -1.051 18281 132 1 1 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.544 2.376 18281 133 1 1 . 1 1 26 26 ASP H H 26 8.070 8.070 7.730 0.340 18281 134 1 1 . 1 1 27 27 ALA N N 27 123.040 123.040 123.344 -0.304 18281 135 1 1 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.758 0.002 18281 136 1 1 . 1 1 27 27 ALA C C 27 178.900 178.900 178.636 0.264 18281 137 1 1 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.914 1.126 18281 138 1 1 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.221 1.209 18281 139 1 1 . 1 1 27 27 ALA H H 27 6.360 6.360 8.010 -1.650 18281 140 1 1 . 1 1 28 28 ASP N N 28 115.060 115.060 117.966 -2.906 18281 141 1 1 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.209 -0.229 18281 142 1 1 . 1 1 28 28 ASP C C 28 175.850 175.850 176.778 -0.928 18281 143 1 1 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.954 -1.414 18281 144 1 1 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.185 -0.545 18281 145 1 1 . 1 1 28 28 ASP H H 28 8.290 8.290 8.500 -0.210 18281 146 1 1 . 1 1 29 29 ASN N N 29 113.110 113.110 115.249 -2.139 18281 147 1 1 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.605 0.125 18281 148 1 1 . 1 1 29 29 ASN C C 29 176.430 176.430 176.666 -0.236 18281 149 1 1 . 1 1 29 29 ASN CA C 29 53.610 53.610 55.077 -1.467 18281 150 1 1 . 1 1 29 29 ASN CB C 29 40.260 40.260 38.987 1.273 18281 151 1 1 . 1 1 29 29 ASN H H 29 7.360 7.360 7.738 -0.378 18281 152 1 1 . 1 1 30 30 LEU N N 30 120.630 120.630 122.212 -1.582 18281 153 1 1 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.989 0.031 18281 154 1 1 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.075 0.724 18281 155 1 1 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.706 1.074 18281 156 1 1 . 1 1 30 30 LEU H H 30 8.320 8.320 8.535 -0.215 18281 157 1 1 . 1 1 31 31 ILE N N 31 116.170 116.170 119.896 -3.726 18281 158 1 1 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.554 0.096 18281 159 1 1 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.511 -0.711 18281 160 1 1 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.116 -1.206 18281 161 1 1 . 1 1 31 31 ILE H H 31 8.140 8.140 8.406 -0.266 18281 162 1 1 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.199 0.321 18281 163 1 1 . 1 1 32 32 PRO C C 32 177.680 177.680 177.864 -0.184 18281 164 1 1 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.854 0.666 18281 165 1 1 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.223 0.297 18281 166 1 1 . 1 1 33 33 LYS N N 33 112.410 112.410 117.755 -5.345 18281 167 1 1 . 1 1 33 33 LYS HA H 33 4.150 4.150 3.986 0.164 18281 168 1 1 . 1 1 33 33 LYS C C 33 178.220 178.220 178.116 0.104 18281 169 1 1 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.603 -0.313 18281 170 1 1 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.971 0.939 18281 171 1 1 . 1 1 33 33 LYS H H 33 6.880 6.880 7.207 -0.327 18281 172 1 1 . 1 1 34 34 ILE N N 34 112.260 112.260 116.718 -4.458 18281 173 1 1 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.997 0.323 18281 174 1 1 . 1 1 34 34 ILE C C 34 175.920 175.920 176.867 -0.947 18281 175 1 1 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.816 -1.996 18281 176 1 1 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.670 0.680 18281 177 1 1 . 1 1 34 34 ILE H H 34 7.560 7.560 7.680 -0.120 18281 178 1 1 . 1 1 35 35 ALA N N 35 124.420 124.420 120.371 4.049 18281 179 1 1 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.792 0.178 18281 180 1 1 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.078 0.283 18281 181 1 1 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.939 0.321 18281 182 1 1 . 1 1 35 35 ALA H H 35 8.820 8.820 7.336 1.484 18281 183 1 1 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.341 0.389 18281 184 1 1 . 1 1 36 36 PRO C C 36 177.890 177.890 177.791 0.099 18281 185 1 1 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.547 -0.307 18281 186 1 1 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.300 -0.620 18281 187 1 1 . 1 1 37 37 GLN N N 37 115.580 115.580 118.105 -2.525 18281 188 1 1 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.075 0.175 18281 189 1 1 . 1 1 37 37 GLN C C 37 177.740 177.740 176.907 0.833 18281 190 1 1 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.013 -0.703 18281 191 1 1 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.965 -0.445 18281 192 1 1 . 1 1 37 37 GLN H H 37 8.660 8.660 8.484 0.176 18281 193 1 1 . 1 1 38 38 ALA N N 38 123.250 123.250 118.847 4.403 18281 194 1 1 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.312 0.078 18281 195 1 1 . 1 1 38 38 ALA C C 38 177.850 177.850 177.144 0.706 18281 196 1 1 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.351 0.149 18281 197 1 1 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.763 0.067 18281 198 1 1 . 1 1 38 38 ALA H H 38 8.030 8.030 7.972 0.058 18281 199 1 1 . 1 1 39 39 VAL N N 39 117.330 117.330 109.891 7.439 18281 200 1 1 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.443 -0.313 18281 201 1 1 . 1 1 39 39 VAL C C 39 172.750 172.750 174.538 -1.788 18281 202 1 1 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.130 2.320 18281 203 1 1 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.293 -1.663 18281 204 1 1 . 1 1 39 39 VAL H H 39 7.660 7.660 7.229 0.431 18281 205 1 1 . 1 1 40 40 LYS N N 40 125.270 125.270 121.916 3.354 18281 206 1 1 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.171 0.289 18281 207 1 1 . 1 1 40 40 LYS C C 40 177.240 177.240 176.554 0.686 18281 208 1 1 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.824 -1.374 18281 209 1 1 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.371 0.629 18281 210 1 1 . 1 1 40 40 LYS H H 40 8.910 8.910 8.625 0.285 18281 211 1 1 . 1 1 41 41 CYS N N 41 112.210 112.210 115.529 -3.319 18281 212 1 1 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.381 0.179 18281 213 1 1 . 1 1 41 41 CYS C C 41 170.900 170.900 172.302 -1.402 18281 214 1 1 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.011 -1.990 18281 215 1 1 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.058 -0.258 18281 216 1 1 . 1 1 41 41 CYS H H 41 7.680 7.680 7.806 -0.126 18281 217 1 1 . 1 1 42 42 ALA N N 42 125.620 125.620 127.561 -1.941 18281 218 1 1 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.696 0.524 18281 219 1 1 . 1 1 42 42 ALA C C 42 175.690 175.690 175.774 -0.084 18281 220 1 1 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.299 -0.319 18281 221 1 1 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.780 2.220 18281 222 1 1 . 1 1 42 42 ALA H H 42 8.700 8.700 8.573 0.127 18281 223 1 1 . 1 1 43 43 GLU N N 43 120.730 120.730 123.919 -3.189 18281 224 1 1 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.695 -0.035 18281 225 1 1 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.472 -0.102 18281 226 1 1 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.480 0.640 18281 227 1 1 . 1 1 43 43 GLU H H 43 8.810 8.810 8.782 0.028 18281 228 1 1 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.501 -0.461 18281 229 1 1 . 1 1 44 44 ILE C C 44 176.190 176.190 176.266 -0.076 18281 230 1 1 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.651 1.339 18281 231 1 1 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.482 -0.702 18281 232 1 1 . 1 1 45 45 LEU N N 45 129.030 129.030 128.527 0.503 18281 233 1 1 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.177 0.273 18281 234 1 1 . 1 1 45 45 LEU C C 45 177.270 177.270 177.260 0.010 18281 235 1 1 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.477 -1.467 18281 236 1 1 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.555 -0.075 18281 237 1 1 . 1 1 45 45 LEU H H 45 9.090 9.090 8.879 0.211 18281 238 1 1 . 1 1 46 46 GLU N N 46 116.640 116.640 113.769 2.871 18281 239 1 1 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.476 0.134 18281 240 1 1 . 1 1 46 46 GLU C C 46 174.840 174.840 175.640 -0.800 18281 241 1 1 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.650 -0.040 18281 242 1 1 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.025 0.545 18281 243 1 1 . 1 1 46 46 GLU H H 46 7.700 7.700 7.516 0.184 18281 244 1 1 . 1 1 47 47 GLY N N 47 110.230 110.230 110.252 -0.022 18281 245 1 1 . 1 1 47 47 GLY C C 47 173.630 173.630 173.870 -0.240 18281 246 1 1 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.704 -1.024 18281 247 1 1 . 1 1 47 47 GLY H H 47 8.620 8.620 8.777 -0.157 18281 248 1 1 . 1 1 48 48 ASP N N 48 115.220 115.220 120.742 -5.522 18281 249 1 1 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.360 0.410 18281 250 1 1 . 1 1 48 48 ASP C C 48 177.340 177.340 175.973 1.367 18281 251 1 1 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.814 -1.894 18281 252 1 1 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.310 2.370 18281 253 1 1 . 1 1 48 48 ASP H H 48 7.960 7.960 8.442 -0.482 18281 254 1 1 . 1 1 49 49 GLY N N 49 110.900 110.900 101.814 9.086 18281 255 1 1 . 1 1 49 49 GLY C C 49 174.750 174.750 174.241 0.509 18281 256 1 1 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.156 0.154 18281 257 1 1 . 1 1 49 49 GLY H H 49 8.750 8.750 8.441 0.309 18281 258 1 1 . 1 1 50 50 GLY N N 50 107.020 107.020 108.163 -1.143 18281 259 1 1 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.738 0.862 18281 260 1 1 . 1 1 50 50 GLY H H 50 8.300 8.300 8.304 -0.004 18281 261 1 1 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.206 -0.246 18281 262 1 1 . 1 1 51 51 PRO C C 51 176.780 176.780 177.670 -0.890 18281 263 1 1 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.358 1.642 18281 264 1 1 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.602 0.268 18281 265 1 1 . 1 1 52 52 GLY N N 52 114.320 114.320 114.342 -0.022 18281 266 1 1 . 1 1 52 52 GLY C C 52 174.170 174.170 174.240 -0.070 18281 267 1 1 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.566 -0.886 18281 268 1 1 . 1 1 52 52 GLY H H 52 9.240 9.240 8.835 0.405 18281 269 1 1 . 1 1 53 53 THR N N 53 118.900 118.900 116.091 2.809 18281 270 1 1 . 1 1 53 53 THR HA H 53 4.660 4.660 4.612 0.048 18281 271 1 1 . 1 1 53 53 THR C C 53 173.510 173.510 173.926 -0.416 18281 272 1 1 . 1 1 53 53 THR CA C 53 64.580 64.580 62.695 1.885 18281 273 1 1 . 1 1 53 53 THR CB C 53 70.070 70.070 69.879 0.191 18281 274 1 1 . 1 1 53 53 THR H H 53 7.910 7.910 7.423 0.487 18281 275 1 1 . 1 1 54 54 ILE N N 54 124.830 124.830 125.305 -0.475 18281 276 1 1 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.768 0.542 18281 277 1 1 . 1 1 54 54 ILE C C 54 175.260 175.260 175.107 0.153 18281 278 1 1 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.645 1.224 18281 279 1 1 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.386 1.064 18281 280 1 1 . 1 1 54 54 ILE H H 54 8.550 8.550 8.311 0.239 18281 281 1 1 . 1 1 55 55 LYS N N 55 126.970 126.970 126.271 0.699 18281 282 1 1 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.245 0.055 18281 283 1 1 . 1 1 55 55 LYS C C 55 173.950 173.950 175.593 -1.643 18281 284 1 1 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.472 -0.642 18281 285 1 1 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.006 0.724 18281 286 1 1 . 1 1 55 55 LYS H H 55 9.400 9.400 9.296 0.104 18281 287 1 1 . 1 1 56 56 LYS N N 56 124.220 124.220 124.515 -0.295 18281 288 1 1 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.953 0.327 18281 289 1 1 . 1 1 56 56 LYS C C 56 175.230 175.230 174.498 0.732 18281 290 1 1 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.563 -0.773 18281 291 1 1 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.182 -0.122 18281 292 1 1 . 1 1 56 56 LYS H H 56 9.360 9.360 9.204 0.156 18281 293 1 1 . 1 1 57 57 ILE N N 57 132.380 132.380 128.215 4.165 18281 294 1 1 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.454 0.186 18281 295 1 1 . 1 1 57 57 ILE C C 57 174.840 174.840 174.873 -0.033 18281 296 1 1 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.911 0.569 18281 297 1 1 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.157 -1.887 18281 298 1 1 . 1 1 57 57 ILE H H 57 9.240 9.240 9.215 0.025 18281 299 1 1 . 1 1 58 58 THR N N 58 122.310 122.310 121.836 0.474 18281 300 1 1 . 1 1 58 58 THR HA H 58 5.180 5.180 4.960 0.220 18281 301 1 1 . 1 1 58 58 THR C C 58 174.260 174.260 173.494 0.766 18281 302 1 1 . 1 1 58 58 THR CA C 58 61.720 61.720 61.361 0.359 18281 303 1 1 . 1 1 58 58 THR CB C 58 70.640 70.640 70.209 0.431 18281 304 1 1 . 1 1 58 58 THR H H 58 8.720 8.720 8.215 0.505 18281 305 1 1 . 1 1 59 59 PHE N N 59 124.570 124.570 125.225 -0.655 18281 306 1 1 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.931 0.089 18281 307 1 1 . 1 1 59 59 PHE C C 59 174.510 174.510 175.972 -1.462 18281 308 1 1 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.281 -0.831 18281 309 1 1 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.663 0.347 18281 310 1 1 . 1 1 59 59 PHE H H 59 8.570 8.570 8.681 -0.111 18281 311 1 1 . 1 1 60 60 GLY N N 60 104.600 104.600 109.374 -4.774 18281 312 1 1 . 1 1 60 60 GLY C C 60 173.500 173.500 174.451 -0.951 18281 313 1 1 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.634 0.196 18281 314 1 1 . 1 1 60 60 GLY H H 60 7.800 7.800 8.819 -1.019 18281 315 1 1 . 1 1 61 61 GLU N N 61 119.400 119.400 119.854 -0.454 18281 316 1 1 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.516 -0.406 18281 317 1 1 . 1 1 61 61 GLU CA C 61 56.800 56.800 55.525 1.275 18281 318 1 1 . 1 1 61 61 GLU CB C 61 30.940 30.940 31.740 -0.800 18281 319 1 1 . 1 1 61 61 GLU H H 61 8.290 8.290 7.965 0.325 18281 320 1 1 . 1 1 62 62 GLY N N 62 110.940 110.940 110.530 0.410 18281 321 1 1 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.188 1.012 18281 322 1 1 . 1 1 62 62 GLY H H 62 8.870 8.870 8.506 0.364 18281 323 1 1 . 1 1 66 66 GLY C C 66 176.930 176.930 171.947 4.983 18281 324 1 1 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.693 -0.613 18281 325 1 1 . 1 1 67 67 TYR N N 67 115.490 115.490 119.197 -3.707 18281 326 1 1 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.704 -0.124 18281 327 1 1 . 1 1 67 67 TYR C C 67 175.470 175.470 173.541 1.929 18281 328 1 1 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.874 -0.954 18281 329 1 1 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.520 0.200 18281 330 1 1 . 1 1 67 67 TYR H H 67 8.110 8.110 7.969 0.141 18281 331 1 1 . 1 1 68 68 VAL N N 68 111.980 111.980 122.363 -10.383 18281 332 1 1 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.526 0.494 18281 333 1 1 . 1 1 68 68 VAL C C 68 175.480 175.480 175.249 0.231 18281 334 1 1 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.507 -1.007 18281 335 1 1 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.136 1.324 18281 336 1 1 . 1 1 68 68 VAL H H 68 8.840 8.840 8.795 0.045 18281 337 1 1 . 1 1 69 69 LYS N N 69 118.430 118.430 125.034 -6.604 18281 338 1 1 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.207 0.493 18281 339 1 1 . 1 1 69 69 LYS C C 69 175.740 175.740 175.345 0.395 18281 340 1 1 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.397 0.973 18281 341 1 1 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.483 1.097 18281 342 1 1 . 1 1 69 69 LYS H H 69 8.590 8.590 9.176 -0.586 18281 343 1 1 . 1 1 70 70 HIS N N 70 122.590 122.590 121.237 1.353 18281 344 1 1 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.399 0.791 18281 345 1 1 . 1 1 70 70 HIS C C 70 174.590 174.590 173.599 0.991 18281 346 1 1 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.311 -3.471 18281 347 1 1 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.698 2.312 18281 348 1 1 . 1 1 70 70 HIS H H 70 9.160 9.160 8.728 0.432 18281 349 1 1 . 1 1 71 71 LYS N N 71 122.760 122.760 123.128 -0.368 18281 350 1 1 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.634 -0.144 18281 351 1 1 . 1 1 71 71 LYS C C 71 175.500 175.500 174.827 0.673 18281 352 1 1 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.772 0.268 18281 353 1 1 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.602 -0.732 18281 354 1 1 . 1 1 71 71 LYS H H 71 9.460 9.460 9.371 0.089 18281 355 1 1 . 1 1 72 72 ILE N N 72 127.870 127.870 125.945 1.925 18281 356 1 1 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.253 -0.373 18281 357 1 1 . 1 1 72 72 ILE C C 72 175.430 175.430 175.936 -0.506 18281 358 1 1 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.732 1.668 18281 359 1 1 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.468 -1.428 18281 360 1 1 . 1 1 72 72 ILE H H 72 9.320 9.320 8.495 0.825 18281 361 1 1 . 1 1 73 73 HIS N N 73 127.690 127.690 126.334 1.356 18281 362 1 1 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.673 0.447 18281 363 1 1 . 1 1 73 73 HIS C C 73 176.240 176.240 175.193 1.047 18281 364 1 1 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.811 -0.841 18281 365 1 1 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.587 0.353 18281 366 1 1 . 1 1 73 73 HIS H H 73 9.080 9.080 8.364 0.716 18281 367 1 1 . 1 1 74 74 SER N N 74 110.900 110.900 113.136 -2.236 18281 368 1 1 . 1 1 74 74 SER HA H 74 4.760 4.760 4.625 0.135 18281 369 1 1 . 1 1 74 74 SER C C 74 172.620 172.620 171.961 0.659 18281 370 1 1 . 1 1 74 74 SER CA C 74 57.880 57.880 58.073 -0.193 18281 371 1 1 . 1 1 74 74 SER CB C 74 66.790 66.790 65.340 1.450 18281 372 1 1 . 1 1 74 74 SER H H 74 8.180 8.180 7.674 0.506 18281 373 1 1 . 1 1 75 75 ILE N N 75 123.780 123.780 119.328 4.452 18281 374 1 1 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.031 -0.351 18281 375 1 1 . 1 1 75 75 ILE C C 75 174.010 174.010 174.378 -0.368 18281 376 1 1 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.462 2.678 18281 377 1 1 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.711 -0.401 18281 378 1 1 . 1 1 75 75 ILE H H 75 8.730 8.730 8.382 0.348 18281 379 1 1 . 1 1 76 76 ASP N N 76 127.280 127.280 126.264 1.016 18281 380 1 1 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.055 0.025 18281 381 1 1 . 1 1 76 76 ASP C C 76 176.680 176.680 175.980 0.700 18281 382 1 1 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.137 -1.007 18281 383 1 1 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.844 -0.294 18281 384 1 1 . 1 1 76 76 ASP H H 76 9.110 9.110 9.129 -0.019 18281 385 1 1 . 1 1 77 77 LYS N N 77 122.400 122.400 123.025 -0.625 18281 386 1 1 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.723 0.257 18281 387 1 1 . 1 1 77 77 LYS C C 77 175.980 175.980 177.252 -1.272 18281 388 1 1 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.635 -2.215 18281 389 1 1 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.390 0.390 18281 390 1 1 . 1 1 77 77 LYS H H 77 8.890 8.890 8.683 0.207 18281 391 1 1 . 1 1 78 78 VAL N N 78 119.300 119.300 117.366 1.934 18281 392 1 1 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.599 0.061 18281 393 1 1 . 1 1 78 78 VAL C C 78 176.290 176.290 176.459 -0.169 18281 394 1 1 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.507 -0.087 18281 395 1 1 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.496 0.604 18281 396 1 1 . 1 1 78 78 VAL H H 78 8.110 8.110 8.020 0.090 18281 397 1 1 . 1 1 79 79 ASN N N 79 114.400 114.400 114.774 -0.374 18281 398 1 1 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.614 -0.134 18281 399 1 1 . 1 1 79 79 ASN C C 79 173.670 173.670 174.923 -1.253 18281 400 1 1 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.923 -0.383 18281 401 1 1 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.935 1.155 18281 402 1 1 . 1 1 79 79 ASN H H 79 7.700 7.700 7.954 -0.254 18281 403 1 1 . 1 1 80 80 HIS N N 80 115.530 115.530 113.123 2.407 18281 404 1 1 . 1 1 80 80 HIS C C 80 173.450 173.450 173.070 0.380 18281 405 1 1 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.879 -0.349 18281 406 1 1 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.664 0.536 18281 407 1 1 . 1 1 80 80 HIS H H 80 6.980 6.980 7.131 -0.151 18281 408 1 1 . 1 1 81 81 THR N N 81 109.600 109.600 113.491 -3.891 18281 409 1 1 . 1 1 81 81 THR HA H 81 5.730 5.730 5.063 0.667 18281 410 1 1 . 1 1 81 81 THR C C 81 172.980 172.980 172.919 0.061 18281 411 1 1 . 1 1 81 81 THR CA C 81 60.190 60.190 61.668 -1.478 18281 412 1 1 . 1 1 81 81 THR CB C 81 71.740 71.740 71.350 0.390 18281 413 1 1 . 1 1 81 81 THR H H 81 7.990 7.990 7.735 0.255 18281 414 1 1 . 1 1 82 82 TYR N N 82 125.000 125.000 128.707 -3.707 18281 415 1 1 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.990 0.710 18281 416 1 1 . 1 1 82 82 TYR C C 82 173.600 173.600 173.277 0.323 18281 417 1 1 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.925 -1.595 18281 418 1 1 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.030 0.780 18281 419 1 1 . 1 1 82 82 TYR H H 82 9.300 9.300 9.287 0.013 18281 420 1 1 . 1 1 83 83 SER N N 83 121.820 121.820 123.443 -1.623 18281 421 1 1 . 1 1 83 83 SER HA H 83 5.670 5.670 4.972 0.698 18281 422 1 1 . 1 1 83 83 SER C C 83 173.490 173.490 172.835 0.655 18281 423 1 1 . 1 1 83 83 SER CA C 83 56.420 56.420 57.315 -0.895 18281 424 1 1 . 1 1 83 83 SER CB C 83 65.520 65.520 65.585 -0.065 18281 425 1 1 . 1 1 83 83 SER H H 83 9.090 9.090 8.041 1.049 18281 426 1 1 . 1 1 84 84 TYR N N 84 122.970 122.970 121.806 1.164 18281 427 1 1 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.198 0.032 18281 428 1 1 . 1 1 84 84 TYR C C 84 172.530 172.530 173.063 -0.533 18281 429 1 1 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.408 0.012 18281 430 1 1 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.572 -0.621 18281 431 1 1 . 1 1 84 84 TYR H H 84 8.790 8.790 9.077 -0.287 18281 432 1 1 . 1 1 85 85 SER N N 85 114.200 114.200 113.080 1.120 18281 433 1 1 . 1 1 85 85 SER HA H 85 5.700 5.700 5.351 0.349 18281 434 1 1 . 1 1 85 85 SER C C 85 173.180 173.180 172.720 0.460 18281 435 1 1 . 1 1 85 85 SER CA C 85 57.510 57.510 57.378 0.132 18281 436 1 1 . 1 1 85 85 SER CB C 85 65.940 65.940 67.082 -1.142 18281 437 1 1 . 1 1 85 85 SER H H 85 9.350 9.350 9.479 -0.129 18281 438 1 1 . 1 1 86 86 LEU N N 86 128.880 128.880 123.339 5.541 18281 439 1 1 . 1 1 86 86 LEU HA H 86 5.230 5.230 5.009 0.221 18281 440 1 1 . 1 1 86 86 LEU C C 86 176.230 176.230 176.681 -0.451 18281 441 1 1 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.175 1.415 18281 442 1 1 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.915 0.235 18281 443 1 1 . 1 1 86 86 LEU H H 86 9.900 9.900 8.775 1.125 18281 444 1 1 . 1 1 87 87 ILE N N 87 115.900 115.900 125.888 -9.988 18281 445 1 1 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.081 0.849 18281 446 1 1 . 1 1 87 87 ILE C C 87 176.080 176.080 175.976 0.104 18281 447 1 1 . 1 1 87 87 ILE CA C 87 61.270 61.270 63.905 -2.635 18281 448 1 1 . 1 1 87 87 ILE CB C 87 39.830 39.830 39.017 0.813 18281 449 1 1 . 1 1 87 87 ILE H H 87 8.180 8.180 9.090 -0.910 18281 450 1 1 . 1 1 88 88 GLU N N 88 121.920 121.920 117.101 4.819 18281 451 1 1 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.577 -0.067 18281 452 1 1 . 1 1 88 88 GLU C C 88 174.020 174.020 174.746 -0.726 18281 453 1 1 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.022 2.018 18281 454 1 1 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.206 1.764 18281 455 1 1 . 1 1 88 88 GLU H H 88 7.650 7.650 7.455 0.195 18281 456 1 1 . 1 1 89 89 GLY N N 89 111.650 111.650 107.346 4.304 18281 457 1 1 . 1 1 89 89 GLY C C 89 173.800 173.800 173.160 0.640 18281 458 1 1 . 1 1 89 89 GLY CA C 89 44.950 44.950 45.023 -0.073 18281 459 1 1 . 1 1 89 89 GLY H H 89 8.830 8.830 8.246 0.584 18281 460 1 1 . 1 1 90 90 ASP N N 90 119.650 119.650 122.340 -2.690 18281 461 1 1 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.282 0.078 18281 462 1 1 . 1 1 90 90 ASP C C 90 176.570 176.570 178.226 -1.656 18281 463 1 1 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.184 -0.144 18281 464 1 1 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.663 0.617 18281 465 1 1 . 1 1 90 90 ASP H H 90 8.430 8.430 8.613 -0.183 18281 466 1 1 . 1 1 91 91 ALA N N 91 118.530 118.530 119.955 -1.425 18281 467 1 1 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.152 0.088 18281 468 1 1 . 1 1 91 91 ALA C C 91 177.740 177.740 178.763 -1.023 18281 469 1 1 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.267 -1.057 18281 470 1 1 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.492 0.818 18281 471 1 1 . 1 1 91 91 ALA H H 91 7.810 7.810 8.233 -0.423 18281 472 1 1 . 1 1 92 92 LEU N N 92 117.330 117.330 118.353 -1.023 18281 473 1 1 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.219 0.241 18281 474 1 1 . 1 1 92 92 LEU C C 92 176.210 176.210 177.234 -1.024 18281 475 1 1 . 1 1 92 92 LEU CA C 92 54.020 54.020 56.155 -2.135 18281 476 1 1 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.565 -2.355 18281 477 1 1 . 1 1 92 92 LEU H H 92 7.600 7.600 7.262 0.338 18281 478 1 1 . 1 1 93 93 SER N N 93 115.780 115.780 111.403 4.377 18281 479 1 1 . 1 1 93 93 SER HA H 93 4.620 4.620 4.122 0.498 18281 480 1 1 . 1 1 93 93 SER C C 93 173.970 173.970 174.541 -0.571 18281 481 1 1 . 1 1 93 93 SER CA C 93 57.730 57.730 59.830 -2.100 18281 482 1 1 . 1 1 93 93 SER CB C 93 64.920 64.920 63.394 1.526 18281 483 1 1 . 1 1 93 93 SER H H 93 7.910 7.910 7.972 -0.062 18281 484 1 1 . 1 1 94 94 GLU N N 94 119.400 119.400 120.293 -0.893 18281 485 1 1 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.173 -0.013 18281 486 1 1 . 1 1 94 94 GLU C C 94 176.570 176.570 176.833 -0.263 18281 487 1 1 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.196 0.504 18281 488 1 1 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.800 -0.590 18281 489 1 1 . 1 1 94 94 GLU H H 94 8.850 8.850 8.780 0.070 18281 490 1 1 . 1 1 95 95 ASN N N 95 113.460 113.460 117.435 -3.975 18281 491 1 1 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.697 0.103 18281 492 1 1 . 1 1 95 95 ASN C C 95 174.070 174.070 174.888 -0.818 18281 493 1 1 . 1 1 95 95 ASN CA C 95 54.120 54.120 55.269 -1.149 18281 494 1 1 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.410 -0.060 18281 495 1 1 . 1 1 95 95 ASN H H 95 8.290 8.290 8.120 0.170 18281 496 1 1 . 1 1 96 96 ILE N N 96 120.610 120.610 119.622 0.988 18281 497 1 1 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.165 0.025 18281 498 1 1 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.440 -0.510 18281 499 1 1 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.533 0.337 18281 500 1 1 . 1 1 96 96 ILE H H 96 7.770 7.770 7.596 0.174 18281 501 1 1 . 1 1 97 97 GLU N N 97 126.670 126.670 126.771 -0.101 18281 502 1 1 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.509 0.281 18281 503 1 1 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.301 0.899 18281 504 1 1 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.905 2.045 18281 505 1 1 . 1 1 97 97 GLU H H 97 8.460 8.460 8.977 -0.517 18281 506 1 1 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.328 0.382 18281 507 1 1 . 1 1 98 98 LYS C C 98 173.650 173.650 176.483 -2.833 18281 508 1 1 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.642 -1.672 18281 509 1 1 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.047 1.753 18281 510 1 1 . 1 1 99 99 ILE N N 99 120.290 120.290 119.210 1.080 18281 511 1 1 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.621 0.169 18281 512 1 1 . 1 1 99 99 ILE C C 99 174.690 174.690 174.551 0.139 18281 513 1 1 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.859 0.441 18281 514 1 1 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.144 0.406 18281 515 1 1 . 1 1 99 99 ILE H H 99 7.720 7.720 8.159 -0.439 18281 516 1 1 . 1 1 100 100 ASP N N 100 126.970 126.970 126.389 0.581 18281 517 1 1 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.812 0.288 18281 518 1 1 . 1 1 100 100 ASP C C 100 174.490 174.490 174.244 0.246 18281 519 1 1 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.877 -0.247 18281 520 1 1 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.927 0.923 18281 521 1 1 . 1 1 100 100 ASP H H 100 9.220 9.220 8.482 0.738 18281 522 1 1 . 1 1 101 101 TYR N N 101 120.640 120.640 124.272 -3.632 18281 523 1 1 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.972 0.308 18281 524 1 1 . 1 1 101 101 TYR C C 101 175.740 175.740 175.330 0.410 18281 525 1 1 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.462 0.518 18281 526 1 1 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.342 0.298 18281 527 1 1 . 1 1 101 101 TYR H H 101 9.140 9.140 8.915 0.225 18281 528 1 1 . 1 1 102 102 GLU N N 102 122.040 122.040 121.833 0.207 18281 529 1 1 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.803 0.327 18281 530 1 1 . 1 1 102 102 GLU C C 102 175.360 175.360 175.666 -0.306 18281 531 1 1 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.256 0.614 18281 532 1 1 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.916 -0.846 18281 533 1 1 . 1 1 102 102 GLU H H 102 8.670 8.670 9.370 -0.700 18281 534 1 1 . 1 1 103 103 THR N N 103 125.840 125.840 120.229 5.611 18281 535 1 1 . 1 1 103 103 THR HA H 103 5.580 5.580 5.087 0.493 18281 536 1 1 . 1 1 103 103 THR C C 103 172.780 172.780 173.141 -0.361 18281 537 1 1 . 1 1 103 103 THR CA C 103 62.150 62.150 61.739 0.412 18281 538 1 1 . 1 1 103 103 THR CB C 103 71.750 71.750 71.168 0.582 18281 539 1 1 . 1 1 103 103 THR H H 103 9.550 9.550 9.243 0.307 18281 540 1 1 . 1 1 104 104 LYS N N 104 126.990 126.990 127.538 -0.548 18281 541 1 1 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.802 0.438 18281 542 1 1 . 1 1 104 104 LYS C C 104 174.300 174.300 173.993 0.307 18281 543 1 1 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.069 0.261 18281 544 1 1 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.951 -0.011 18281 545 1 1 . 1 1 104 104 LYS H H 104 9.430 9.430 9.205 0.225 18281 546 1 1 . 1 1 105 105 LEU N N 105 124.700 124.700 127.311 -2.611 18281 547 1 1 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.691 0.519 18281 548 1 1 . 1 1 105 105 LEU C C 105 175.780 175.780 176.109 -0.329 18281 549 1 1 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.703 0.917 18281 550 1 1 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.737 0.213 18281 551 1 1 . 1 1 105 105 LEU H H 105 8.410 8.410 8.253 0.157 18281 552 1 1 . 1 1 106 106 VAL N N 106 123.290 123.290 122.690 0.600 18281 553 1 1 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.375 0.055 18281 554 1 1 . 1 1 106 106 VAL C C 106 175.560 175.560 174.536 1.024 18281 555 1 1 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.670 -0.200 18281 556 1 1 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.222 -0.202 18281 557 1 1 . 1 1 106 106 VAL H H 106 9.180 9.180 9.208 -0.028 18281 558 1 1 . 1 1 107 107 SER N N 107 121.800 121.800 120.146 1.654 18281 559 1 1 . 1 1 107 107 SER HA H 107 4.660 4.660 4.722 -0.062 18281 560 1 1 . 1 1 107 107 SER C C 107 173.600 173.600 173.606 -0.006 18281 561 1 1 . 1 1 107 107 SER CA C 107 59.860 59.860 56.996 2.864 18281 562 1 1 . 1 1 107 107 SER CB C 107 63.250 63.250 64.841 -1.591 18281 563 1 1 . 1 1 107 107 SER H H 107 8.910 8.910 8.353 0.557 18281 564 1 1 . 1 1 108 108 ALA N N 108 129.210 129.210 125.228 3.982 18281 565 1 1 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.897 -0.267 18281 566 1 1 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.557 1.063 18281 567 1 1 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.808 -0.008 18281 568 1 1 . 1 1 108 108 ALA H H 108 8.310 8.310 8.559 -0.249 18281 569 1 1 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.273 0.147 18281 570 1 1 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.837 -1.137 18281 571 1 1 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.528 0.672 18281 572 1 1 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.477 0.293 18281 573 1 1 . 1 1 110 110 HIS C C 110 175.760 175.760 175.795 -0.035 18281 574 1 1 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.646 -1.256 18281 575 1 1 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.325 -0.915 18281 576 1 1 . 1 1 111 111 GLY N N 111 108.720 108.720 107.692 1.028 18281 577 1 1 . 1 1 111 111 GLY C C 111 174.390 174.390 174.063 0.327 18281 578 1 1 . 1 1 111 111 GLY CA C 111 45.130 45.130 44.987 0.143 18281 579 1 1 . 1 1 111 111 GLY H H 111 7.730 7.730 7.784 -0.054 18281 580 1 1 . 1 1 112 112 GLY N N 112 107.670 107.670 108.592 -0.922 18281 581 1 1 . 1 1 112 112 GLY C C 112 174.150 174.150 172.992 1.158 18281 582 1 1 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.340 0.079 18281 583 1 1 . 1 1 112 112 GLY H H 112 7.600 7.600 8.022 -0.422 18281 584 1 1 . 1 1 113 113 THR N N 113 119.830 119.830 115.917 3.913 18281 585 1 1 . 1 1 113 113 THR HA H 113 5.060 5.060 4.891 0.169 18281 586 1 1 . 1 1 113 113 THR C C 113 173.250 173.250 173.233 0.017 18281 587 1 1 . 1 1 113 113 THR CA C 113 62.990 62.990 62.119 0.871 18281 588 1 1 . 1 1 113 113 THR CB C 113 72.270 72.270 71.028 1.242 18281 589 1 1 . 1 1 113 113 THR H H 113 9.070 9.070 8.165 0.905 18281 590 1 1 . 1 1 114 114 ILE N N 114 127.600 127.600 127.092 0.508 18281 591 1 1 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.601 -0.090 18281 592 1 1 . 1 1 114 114 ILE C C 114 174.370 174.370 174.497 -0.127 18281 593 1 1 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.639 0.521 18281 594 1 1 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.875 0.095 18281 595 1 1 . 1 1 114 114 ILE H H 114 9.490 9.490 9.248 0.242 18281 596 1 1 . 1 1 115 115 ILE N N 115 129.200 129.200 126.238 2.962 18281 597 1 1 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.874 -0.374 18281 598 1 1 . 1 1 115 115 ILE C C 115 175.000 175.000 174.934 0.066 18281 599 1 1 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.096 1.304 18281 600 1 1 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.239 -2.239 18281 601 1 1 . 1 1 115 115 ILE H H 115 9.220 9.220 9.282 -0.062 18281 602 1 1 . 1 1 116 116 LYS N N 116 127.550 127.550 128.266 -0.716 18281 603 1 1 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.221 -0.051 18281 604 1 1 . 1 1 116 116 LYS C C 116 176.300 176.300 175.798 0.502 18281 605 1 1 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.976 0.394 18281 606 1 1 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.961 -0.381 18281 607 1 1 . 1 1 116 116 LYS H H 116 9.130 9.130 9.083 0.047 18281 608 1 1 . 1 1 117 117 THR N N 117 120.940 120.940 122.425 -1.485 18281 609 1 1 . 1 1 117 117 THR HA H 117 5.730 5.730 5.361 0.369 18281 610 1 1 . 1 1 117 117 THR C C 117 174.620 174.620 173.727 0.893 18281 611 1 1 . 1 1 117 117 THR CA C 117 60.990 60.990 61.724 -0.733 18281 612 1 1 . 1 1 117 117 THR CB C 117 71.750 71.750 71.852 -0.102 18281 613 1 1 . 1 1 117 117 THR H H 117 9.020 9.020 9.113 -0.093 18281 614 1 1 . 1 1 118 118 THR N N 118 125.750 125.750 123.251 2.499 18281 615 1 1 . 1 1 118 118 THR HA H 118 5.170 5.170 5.431 -0.261 18281 616 1 1 . 1 1 118 118 THR C C 118 173.760 173.760 173.659 0.101 18281 617 1 1 . 1 1 118 118 THR CA C 118 61.800 61.800 61.408 0.391 18281 618 1 1 . 1 1 118 118 THR CB C 118 70.720 70.720 71.013 -0.293 18281 619 1 1 . 1 1 118 118 THR H H 118 9.500 9.500 8.841 0.659 18281 620 1 1 . 1 1 119 119 SER N N 119 122.250 122.250 119.687 2.563 18281 621 1 1 . 1 1 119 119 SER HA H 119 5.270 5.270 5.081 0.189 18281 622 1 1 . 1 1 119 119 SER C C 119 172.960 172.960 172.376 0.584 18281 623 1 1 . 1 1 119 119 SER CA C 119 55.860 55.860 57.247 -1.387 18281 624 1 1 . 1 1 119 119 SER CB C 119 66.720 66.720 66.410 0.310 18281 625 1 1 . 1 1 119 119 SER H H 119 9.410 9.410 9.020 0.390 18281 626 1 1 . 1 1 120 120 LYS N N 120 124.120 124.120 123.804 0.316 18281 627 1 1 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.626 0.614 18281 628 1 1 . 1 1 120 120 LYS C C 120 174.780 174.780 173.945 0.835 18281 629 1 1 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.494 -0.664 18281 630 1 1 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.162 -0.002 18281 631 1 1 . 1 1 120 120 LYS H H 120 9.150 9.150 7.882 1.268 18281 632 1 1 . 1 1 121 121 TYR N N 121 126.500 126.500 124.113 2.387 18281 633 1 1 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.118 0.882 18281 634 1 1 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.424 -0.224 18281 635 1 1 . 1 1 121 121 TYR H H 121 9.800 9.800 8.885 0.915 18281 636 1 1 . 1 1 122 122 HIS C C 122 174.670 174.670 174.769 -0.099 18281 637 1 1 . 1 1 123 123 THR N N 123 125.750 125.750 112.151 13.599 18281 638 1 1 . 1 1 123 123 THR HA H 123 5.400 5.400 4.842 0.558 18281 639 1 1 . 1 1 123 123 THR C C 123 174.460 174.460 174.437 0.023 18281 640 1 1 . 1 1 123 123 THR CA C 123 60.230 60.230 59.748 0.482 18281 641 1 1 . 1 1 123 123 THR CB C 123 71.260 71.260 72.182 -0.922 18281 642 1 1 . 1 1 123 123 THR H H 123 8.920 8.920 8.345 0.575 18281 643 1 1 . 1 1 124 124 LYS N N 124 121.170 121.170 121.156 0.014 18281 644 1 1 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.319 0.441 18281 645 1 1 . 1 1 124 124 LYS C C 124 176.450 176.450 177.325 -0.875 18281 646 1 1 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.887 -3.377 18281 647 1 1 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.724 1.176 18281 648 1 1 . 1 1 124 124 LYS H H 124 8.590 8.590 8.315 0.275 18281 649 1 1 . 1 1 125 125 GLY N N 125 110.070 110.070 105.613 4.457 18281 650 1 1 . 1 1 125 125 GLY C C 125 173.620 173.620 174.568 -0.948 18281 651 1 1 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.332 -0.062 18281 652 1 1 . 1 1 125 125 GLY H H 125 8.390 8.390 8.026 0.364 18281 653 1 1 . 1 1 126 126 ASP N N 126 120.070 120.070 120.081 -0.011 18281 654 1 1 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.743 -0.073 18281 655 1 1 . 1 1 126 126 ASP C C 126 175.580 175.580 176.354 -0.774 18281 656 1 1 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.747 0.543 18281 657 1 1 . 1 1 126 126 ASP CB C 126 40.360 40.360 41.498 -1.139 18281 658 1 1 . 1 1 126 126 ASP H H 126 8.440 8.440 8.318 0.122 18281 659 1 1 . 1 1 127 127 VAL N N 127 119.620 119.620 119.432 0.188 18281 660 1 1 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.954 0.286 18281 661 1 1 . 1 1 127 127 VAL C C 127 174.610 174.610 175.123 -0.513 18281 662 1 1 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.201 -1.971 18281 663 1 1 . 1 1 127 127 VAL CB C 127 34.250 34.250 31.549 2.701 18281 664 1 1 . 1 1 127 127 VAL H H 127 7.620 7.620 7.752 -0.132 18281 665 1 1 . 1 1 128 128 GLU N N 128 125.030 125.030 124.694 0.336 18281 666 1 1 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.702 -0.572 18281 667 1 1 . 1 1 128 128 GLU C C 128 175.680 175.680 175.265 0.415 18281 668 1 1 . 1 1 128 128 GLU CA C 128 55.540 55.540 54.979 0.561 18281 669 1 1 . 1 1 128 128 GLU CB C 128 30.790 30.790 32.708 -1.918 18281 670 1 1 . 1 1 128 128 GLU H H 128 8.330 8.330 8.038 0.292 18281 671 1 1 . 1 1 129 129 ILE N N 129 124.070 124.070 119.885 4.185 18281 672 1 1 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.266 -0.306 18281 673 1 1 . 1 1 129 129 ILE C C 129 175.960 175.960 174.717 1.243 18281 674 1 1 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.985 -0.635 18281 675 1 1 . 1 1 129 129 ILE CB C 129 36.680 36.680 39.756 -3.076 18281 676 1 1 . 1 1 129 129 ILE H H 129 7.380 7.380 8.363 -0.983 18281 677 1 1 . 1 1 130 130 LYS N N 130 127.800 127.800 123.150 4.650 18281 678 1 1 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.644 -0.364 18281 679 1 1 . 1 1 130 130 LYS C C 130 177.660 177.660 176.823 0.837 18281 680 1 1 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.130 0.720 18281 681 1 1 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.355 -0.545 18281 682 1 1 . 1 1 130 130 LYS H H 130 8.790 8.790 8.459 0.331 18281 683 1 1 . 1 1 131 131 GLU N N 131 125.060 125.060 125.540 -0.480 18281 684 1 1 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.877 -0.067 18281 685 1 1 . 1 1 131 131 GLU C C 131 178.630 178.630 178.232 0.398 18281 686 1 1 . 1 1 131 131 GLU CA C 131 59.510 59.510 59.819 -0.309 18281 687 1 1 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.398 -0.098 18281 688 1 1 . 1 1 131 131 GLU H H 131 8.880 8.880 9.139 -0.259 18281 689 1 1 . 1 1 132 132 GLU N N 132 117.220 117.220 116.796 0.424 18281 690 1 1 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.008 -0.028 18281 691 1 1 . 1 1 132 132 GLU C C 132 178.630 178.630 179.160 -0.530 18281 692 1 1 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.249 0.361 18281 693 1 1 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.829 0.151 18281 694 1 1 . 1 1 132 132 GLU H H 132 9.200 9.200 8.973 0.227 18281 695 1 1 . 1 1 133 133 HIS N N 133 119.810 119.810 119.774 0.036 18281 696 1 1 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.329 0.141 18281 697 1 1 . 1 1 133 133 HIS C C 133 178.430 178.430 177.571 0.859 18281 698 1 1 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.324 -0.194 18281 699 1 1 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.711 1.609 18281 700 1 1 . 1 1 133 133 HIS H H 133 7.500 7.500 7.667 -0.167 18281 701 1 1 . 1 1 134 134 VAL N N 134 120.370 120.370 120.046 0.324 18281 702 1 1 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.397 0.253 18281 703 1 1 . 1 1 134 134 VAL C C 134 179.170 179.170 177.473 1.697 18281 704 1 1 . 1 1 134 134 VAL CA C 134 65.180 65.180 67.335 -2.155 18281 705 1 1 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.478 0.232 18281 706 1 1 . 1 1 134 134 VAL H H 134 7.290 7.290 7.788 -0.498 18281 707 1 1 . 1 1 135 135 LYS N N 135 121.310 121.310 120.225 1.085 18281 708 1 1 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.800 0.160 18281 709 1 1 . 1 1 135 135 LYS C C 135 178.310 178.310 178.045 0.265 18281 710 1 1 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.049 0.281 18281 711 1 1 . 1 1 135 135 LYS CB C 135 32.180 32.180 31.854 0.326 18281 712 1 1 . 1 1 135 135 LYS H H 135 8.310 8.310 8.270 0.040 18281 713 1 1 . 1 1 136 136 ALA N N 136 121.150 121.150 120.033 1.117 18281 714 1 1 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.077 0.153 18281 715 1 1 . 1 1 136 136 ALA C C 136 180.930 180.930 179.669 1.261 18281 716 1 1 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.069 -0.049 18281 717 1 1 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.008 -0.258 18281 718 1 1 . 1 1 136 136 ALA H H 136 7.950 7.950 7.523 0.427 18281 719 1 1 . 1 1 137 137 GLY N N 137 105.640 105.640 106.432 -0.792 18281 720 1 1 . 1 1 137 137 GLY C C 137 177.000 177.000 176.356 0.644 18281 721 1 1 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.105 0.055 18281 722 1 1 . 1 1 137 137 GLY H H 137 7.930 7.930 7.632 0.298 18281 723 1 1 . 1 1 138 138 LYS N N 138 124.210 124.210 121.547 2.663 18281 724 1 1 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.054 0.176 18281 725 1 1 . 1 1 138 138 LYS C C 138 178.860 178.860 179.294 -0.434 18281 726 1 1 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.231 0.559 18281 727 1 1 . 1 1 138 138 LYS CB C 138 32.670 32.670 31.726 0.944 18281 728 1 1 . 1 1 138 138 LYS H H 138 7.960 7.960 8.091 -0.131 18281 729 1 1 . 1 1 139 139 GLU N N 139 119.720 119.720 119.768 -0.048 18281 730 1 1 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.030 0.110 18281 731 1 1 . 1 1 139 139 GLU C C 139 179.710 179.710 179.176 0.534 18281 732 1 1 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.608 -0.428 18281 733 1 1 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.362 -0.062 18281 734 1 1 . 1 1 139 139 GLU H H 139 8.370 8.370 7.763 0.607 18281 735 1 1 . 1 1 140 140 LYS N N 140 120.270 120.270 119.053 1.217 18281 736 1 1 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.947 0.163 18281 737 1 1 . 1 1 140 140 LYS C C 140 179.210 179.210 179.154 0.056 18281 738 1 1 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.666 -0.056 18281 739 1 1 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.312 0.068 18281 740 1 1 . 1 1 140 140 LYS H H 140 8.140 8.140 7.645 0.495 18281 741 1 1 . 1 1 141 141 ALA N N 141 121.910 121.910 121.574 0.336 18281 742 1 1 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.121 -0.081 18281 743 1 1 . 1 1 141 141 ALA C C 141 179.530 179.530 179.648 -0.118 18281 744 1 1 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.986 0.034 18281 745 1 1 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.281 0.099 18281 746 1 1 . 1 1 141 141 ALA H H 141 7.730 7.730 8.162 -0.432 18281 747 1 1 . 1 1 142 142 ALA N N 142 120.440 120.440 121.045 -0.605 18281 748 1 1 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.938 -0.058 18281 749 1 1 . 1 1 142 142 ALA C C 142 180.080 180.080 178.616 1.464 18281 750 1 1 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.218 -0.318 18281 751 1 1 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.104 0.126 18281 752 1 1 . 1 1 142 142 ALA H H 142 8.280 8.280 8.463 -0.183 18281 753 1 1 . 1 1 143 143 HIS N N 143 118.280 118.280 117.421 0.859 18281 754 1 1 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.391 -0.041 18281 755 1 1 . 1 1 143 143 HIS C C 143 177.350 177.350 177.417 -0.067 18281 756 1 1 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.643 -0.213 18281 757 1 1 . 1 1 143 143 HIS CB C 143 30.750 30.750 30.212 0.538 18281 758 1 1 . 1 1 143 143 HIS H H 143 8.030 8.030 7.893 0.137 18281 759 1 1 . 1 1 144 144 LEU N N 144 118.820 118.820 119.783 -0.963 18281 760 1 1 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.930 -0.020 18281 761 1 1 . 1 1 144 144 LEU C C 144 179.040 179.040 178.745 0.295 18281 762 1 1 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.445 0.635 18281 763 1 1 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.596 -0.636 18281 764 1 1 . 1 1 144 144 LEU H H 144 7.700 7.700 7.505 0.195 18281 765 1 1 . 1 1 145 145 PHE N N 145 116.920 116.920 117.955 -1.035 18281 766 1 1 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.050 -0.050 18281 767 1 1 . 1 1 145 145 PHE C C 145 177.900 177.900 177.736 0.164 18281 768 1 1 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.469 -0.319 18281 769 1 1 . 1 1 145 145 PHE CB C 145 37.750 37.750 38.073 -0.323 18281 770 1 1 . 1 1 145 145 PHE H H 145 8.100 8.100 7.992 0.108 18281 771 1 1 . 1 1 146 146 LYS N N 146 119.710 119.710 120.161 -0.451 18281 772 1 1 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.139 -0.009 18281 773 1 1 . 1 1 146 146 LYS C C 146 177.750 177.750 178.660 -0.910 18281 774 1 1 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.747 -0.847 18281 775 1 1 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.217 0.063 18281 776 1 1 . 1 1 146 146 LYS H H 146 8.040 8.040 7.343 0.697 18281 777 1 1 . 1 1 147 147 LEU N N 147 118.970 118.970 117.713 1.257 18281 778 1 1 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.793 0.207 18281 779 1 1 . 1 1 147 147 LEU C C 147 180.460 180.460 178.945 1.515 18281 780 1 1 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.448 0.022 18281 781 1 1 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.548 0.852 18281 782 1 1 . 1 1 147 147 LEU H H 147 7.960 7.960 7.220 0.740 18281 783 1 1 . 1 1 148 148 ILE N N 148 121.410 121.410 119.927 1.483 18281 784 1 1 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.708 -0.168 18281 785 1 1 . 1 1 148 148 ILE C C 148 177.030 177.030 178.269 -1.239 18281 786 1 1 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.660 -0.260 18281 787 1 1 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.732 -0.042 18281 788 1 1 . 1 1 148 148 ILE H H 148 8.200 8.200 7.449 0.751 18281 789 1 1 . 1 1 149 149 GLU N N 149 120.450 120.450 118.794 1.656 18281 790 1 1 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.132 -0.452 18281 791 1 1 . 1 1 149 149 GLU C C 149 178.540 178.540 179.340 -0.800 18281 792 1 1 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.746 0.574 18281 793 1 1 . 1 1 149 149 GLU CB C 149 28.830 28.830 28.926 -0.096 18281 794 1 1 . 1 1 149 149 GLU H H 149 8.680 8.680 7.865 0.815 18281 795 1 1 . 1 1 150 150 GLY N N 150 104.450 104.450 108.846 -4.396 18281 796 1 1 . 1 1 150 150 GLY C C 150 175.670 175.670 176.127 -0.457 18281 797 1 1 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.270 -0.020 18281 798 1 1 . 1 1 150 150 GLY H H 150 8.180 8.180 8.503 -0.323 18281 799 1 1 . 1 1 151 151 TYR N N 151 122.120 122.120 122.171 -0.051 18281 800 1 1 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.304 0.076 18281 801 1 1 . 1 1 151 151 TYR C C 151 179.360 179.360 178.686 0.674 18281 802 1 1 . 1 1 151 151 TYR CA C 151 62.320 62.320 60.449 1.871 18281 803 1 1 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.831 -1.441 18281 804 1 1 . 1 1 151 151 TYR H H 151 7.910 7.910 7.764 0.146 18281 805 1 1 . 1 1 152 152 LEU N N 152 120.020 120.020 118.694 1.326 18281 806 1 1 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.843 0.187 18281 807 1 1 . 1 1 152 152 LEU C C 152 180.320 180.320 178.880 1.440 18281 808 1 1 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.700 0.060 18281 809 1 1 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.592 -0.592 18281 810 1 1 . 1 1 152 152 LEU H H 152 8.630 8.630 7.750 0.880 18281 811 1 1 . 1 1 153 153 LYS N N 153 119.730 119.730 119.543 0.187 18281 812 1 1 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.011 -0.041 18281 813 1 1 . 1 1 153 153 LYS C C 153 178.150 178.150 178.507 -0.357 18281 814 1 1 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.193 0.207 18281 815 1 1 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.636 -0.286 18281 816 1 1 . 1 1 153 153 LYS H H 153 8.260 8.260 8.318 -0.058 18281 817 1 1 . 1 1 154 154 ASP N N 154 117.020 117.020 116.835 0.185 18281 818 1 1 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.516 -0.516 18281 819 1 1 . 1 1 154 154 ASP C C 154 175.660 175.660 176.743 -1.083 18281 820 1 1 . 1 1 154 154 ASP CA C 154 55.030 55.030 56.011 -0.981 18281 821 1 1 . 1 1 154 154 ASP H H 154 7.560 7.560 7.722 -0.162 18281 822 1 1 . 1 1 155 155 HIS N N 155 117.160 117.160 118.495 -1.335 18281 823 1 1 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.320 0.580 18281 824 1 1 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.216 -1.066 18281 825 1 1 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.429 -1.439 18281 826 1 1 . 1 1 155 155 HIS H H 155 7.430 7.430 7.690 -0.260 18281 827 1 2 . 1 1 3 3 VAL N N 3 119.910 119.910 121.541 -1.631 18281 828 1 2 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.225 0.695 18281 829 1 2 . 1 1 3 3 VAL CA C 3 61.020 61.020 60.903 0.117 18281 830 1 2 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.791 1.339 18281 831 1 2 . 1 1 3 3 VAL H H 3 7.630 7.630 7.640 -0.010 18281 832 1 2 . 1 1 4 4 TYR N N 4 119.930 119.930 124.103 -4.173 18281 833 1 2 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.740 -0.070 18281 834 1 2 . 1 1 4 4 TYR C C 4 174.670 174.670 175.914 -1.244 18281 835 1 2 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.118 0.352 18281 836 1 2 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.638 0.632 18281 837 1 2 . 1 1 4 4 TYR H H 4 8.660 8.660 8.373 0.287 18281 838 1 2 . 1 1 5 5 THR N N 5 119.930 119.930 118.092 1.838 18281 839 1 2 . 1 1 5 5 THR HA H 5 5.290 5.290 4.799 0.491 18281 840 1 2 . 1 1 5 5 THR C C 5 173.180 173.180 173.512 -0.332 18281 841 1 2 . 1 1 5 5 THR CA C 5 61.780 61.780 62.135 -0.354 18281 842 1 2 . 1 1 5 5 THR CB C 5 70.360 70.360 69.784 0.576 18281 843 1 2 . 1 1 5 5 THR H H 5 8.230 8.230 8.515 -0.285 18281 844 1 2 . 1 1 6 6 TYR N N 6 125.060 125.060 126.863 -1.803 18281 845 1 2 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.779 0.511 18281 846 1 2 . 1 1 6 6 TYR C C 6 174.380 174.380 173.491 0.889 18281 847 1 2 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.842 0.268 18281 848 1 2 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.833 0.017 18281 849 1 2 . 1 1 6 6 TYR H H 6 9.210 9.210 8.514 0.696 18281 850 1 2 . 1 1 7 7 GLU N N 7 122.360 122.360 127.584 -5.224 18281 851 1 2 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.918 0.442 18281 852 1 2 . 1 1 7 7 GLU C C 7 175.390 175.390 174.506 0.884 18281 853 1 2 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.437 0.543 18281 854 1 2 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.519 0.531 18281 855 1 2 . 1 1 7 7 GLU H H 7 8.830 8.830 8.059 0.771 18281 856 1 2 . 1 1 8 8 ASN N N 8 119.960 119.960 123.661 -3.701 18281 857 1 2 . 1 1 8 8 ASN HA H 8 5.100 5.100 4.985 0.115 18281 858 1 2 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.436 0.184 18281 859 1 2 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.988 1.222 18281 860 1 2 . 1 1 8 8 ASN H H 8 8.800 8.800 9.212 -0.412 18281 861 1 2 . 1 1 9 9 GLU N N 9 121.420 121.420 125.888 -4.468 18281 862 1 2 . 1 1 9 9 GLU HA H 9 5.600 5.600 5.047 0.553 18281 863 1 2 . 1 1 9 9 GLU C C 9 174.590 174.590 175.148 -0.558 18281 864 1 2 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.597 -0.827 18281 865 1 2 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.109 2.641 18281 866 1 2 . 1 1 9 9 GLU H H 9 8.330 8.330 8.726 -0.396 18281 867 1 2 . 1 1 10 10 PHE N N 10 121.240 121.240 126.067 -4.827 18281 868 1 2 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.884 0.136 18281 869 1 2 . 1 1 10 10 PHE C C 10 173.880 173.880 173.739 0.141 18281 870 1 2 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.142 -1.593 18281 871 1 2 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.136 -1.666 18281 872 1 2 . 1 1 10 10 PHE H H 10 8.760 8.760 9.411 -0.651 18281 873 1 2 . 1 1 11 11 THR N N 11 113.110 113.110 118.435 -5.325 18281 874 1 2 . 1 1 11 11 THR HA H 11 5.170 5.170 5.002 0.168 18281 875 1 2 . 1 1 11 11 THR C C 11 173.530 173.530 173.445 0.085 18281 876 1 2 . 1 1 11 11 THR CA C 11 60.940 60.940 59.956 0.984 18281 877 1 2 . 1 1 11 11 THR CB C 11 71.260 71.260 69.820 1.440 18281 878 1 2 . 1 1 11 11 THR H H 11 8.470 8.470 7.704 0.766 18281 879 1 2 . 1 1 12 12 SER N N 12 115.490 115.490 119.002 -3.512 18281 880 1 2 . 1 1 12 12 SER C C 12 173.530 173.530 172.993 0.537 18281 881 1 2 . 1 1 12 12 SER CA C 12 56.460 56.460 56.459 0.001 18281 882 1 2 . 1 1 12 12 SER CB C 12 66.320 66.320 66.725 -0.405 18281 883 1 2 . 1 1 12 12 SER H H 12 8.870 8.870 9.096 -0.226 18281 884 1 2 . 1 1 13 13 ASP N N 13 126.650 126.650 122.071 4.579 18281 885 1 2 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.732 0.008 18281 886 1 2 . 1 1 13 13 ASP C C 13 174.520 174.520 176.728 -2.208 18281 887 1 2 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.662 0.368 18281 888 1 2 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.325 -0.325 18281 889 1 2 . 1 1 13 13 ASP H H 13 9.060 9.060 8.646 0.414 18281 890 1 2 . 1 1 14 14 ILE N N 14 123.580 123.580 116.815 6.765 18281 891 1 2 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.932 0.418 18281 892 1 2 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.341 -3.951 18281 893 1 2 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.470 -0.130 18281 894 1 2 . 1 1 14 14 ILE H H 14 8.470 8.470 8.289 0.181 18281 895 1 2 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.554 -0.114 18281 896 1 2 . 1 1 15 15 PRO C C 15 177.130 177.130 177.668 -0.538 18281 897 1 2 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.213 0.857 18281 898 1 2 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.703 0.747 18281 899 1 2 . 1 1 16 16 ALA N N 16 126.780 126.780 126.293 0.487 18281 900 1 2 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.992 0.008 18281 901 1 2 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.376 -0.276 18281 902 1 2 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.207 0.093 18281 903 1 2 . 1 1 16 16 ALA H H 16 8.570 8.570 8.500 0.070 18281 904 1 2 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.417 -0.517 18281 905 1 2 . 1 1 17 17 PRO C C 17 179.610 179.610 179.217 0.393 18281 906 1 2 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.673 0.337 18281 907 1 2 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.293 -0.393 18281 908 1 2 . 1 1 18 18 LYS N N 18 116.630 116.630 118.982 -2.352 18281 909 1 2 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.162 -0.022 18281 910 1 2 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.581 -0.311 18281 911 1 2 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.875 0.445 18281 912 1 2 . 1 1 18 18 LYS H H 18 6.710 6.710 8.033 -1.323 18281 913 1 2 . 1 1 19 19 LEU N N 19 118.930 118.930 120.070 -1.140 18281 914 1 2 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.231 -0.391 18281 915 1 2 . 1 1 19 19 LEU C C 19 178.380 178.380 178.247 0.133 18281 916 1 2 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.614 0.816 18281 917 1 2 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.901 0.189 18281 918 1 2 . 1 1 19 19 LEU H H 19 7.950 7.950 8.196 -0.246 18281 919 1 2 . 1 1 20 20 PHE N N 20 118.660 118.660 120.452 -1.792 18281 920 1 2 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.113 -0.263 18281 921 1 2 . 1 1 20 20 PHE C C 20 177.680 177.680 177.133 0.547 18281 922 1 2 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.068 0.812 18281 923 1 2 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.261 0.159 18281 924 1 2 . 1 1 20 20 PHE H H 20 9.040 9.040 8.448 0.592 18281 925 1 2 . 1 1 21 21 LYS N N 21 118.430 118.430 120.090 -1.660 18281 926 1 2 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.006 -0.236 18281 927 1 2 . 1 1 21 21 LYS C C 21 176.400 176.400 178.545 -2.145 18281 928 1 2 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.719 0.441 18281 929 1 2 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.625 0.375 18281 930 1 2 . 1 1 21 21 LYS H H 21 7.630 7.630 8.120 -0.490 18281 931 1 2 . 1 1 22 22 ALA N N 22 118.710 118.710 119.839 -1.129 18281 932 1 2 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.296 0.474 18281 933 1 2 . 1 1 22 22 ALA C C 22 175.450 175.450 178.384 -2.934 18281 934 1 2 . 1 1 22 22 ALA CA C 22 55.540 55.540 53.919 1.621 18281 935 1 2 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.253 1.947 18281 936 1 2 . 1 1 22 22 ALA H H 22 7.390 7.390 7.595 -0.205 18281 937 1 2 . 1 1 23 23 PHE N N 23 109.720 109.720 117.440 -7.720 18281 938 1 2 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.290 -0.050 18281 939 1 2 . 1 1 23 23 PHE C C 23 174.130 174.130 175.199 -1.069 18281 940 1 2 . 1 1 23 23 PHE CA C 23 58.320 58.320 59.891 -1.571 18281 941 1 2 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.924 -0.484 18281 942 1 2 . 1 1 23 23 PHE H H 23 8.400 8.400 7.534 0.866 18281 943 1 2 . 1 1 24 24 VAL N N 24 113.250 113.250 114.524 -1.274 18281 944 1 2 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.564 -0.244 18281 945 1 2 . 1 1 24 24 VAL C C 24 177.660 177.660 176.278 1.382 18281 946 1 2 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.826 0.674 18281 947 1 2 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.370 -1.490 18281 948 1 2 . 1 1 24 24 VAL H H 24 7.220 7.220 7.531 -0.311 18281 949 1 2 . 1 1 25 25 LEU N N 25 116.250 116.250 121.640 -5.390 18281 950 1 2 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.127 -0.237 18281 951 1 2 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.460 0.450 18281 952 1 2 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.978 -0.978 18281 953 1 2 . 1 1 25 25 LEU H H 25 7.180 7.180 7.968 -0.788 18281 954 1 2 . 1 1 26 26 ASP N N 26 117.160 117.160 117.450 -0.290 18281 955 1 2 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.634 0.666 18281 956 1 2 . 1 1 26 26 ASP C C 26 177.300 177.300 176.616 0.684 18281 957 1 2 . 1 1 26 26 ASP CA C 26 53.170 53.170 55.131 -1.961 18281 958 1 2 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.590 2.330 18281 959 1 2 . 1 1 26 26 ASP H H 26 8.070 8.070 7.745 0.325 18281 960 1 2 . 1 1 27 27 ALA N N 27 123.040 123.040 122.886 0.154 18281 961 1 2 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.767 -0.007 18281 962 1 2 . 1 1 27 27 ALA C C 27 178.900 178.900 178.732 0.168 18281 963 1 2 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.662 1.378 18281 964 1 2 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.102 1.328 18281 965 1 2 . 1 1 27 27 ALA H H 27 6.360 6.360 8.014 -1.654 18281 966 1 2 . 1 1 28 28 ASP N N 28 115.060 115.060 117.032 -1.972 18281 967 1 2 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.181 -0.201 18281 968 1 2 . 1 1 28 28 ASP C C 28 175.850 175.850 176.765 -0.915 18281 969 1 2 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.833 -1.292 18281 970 1 2 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.307 -0.667 18281 971 1 2 . 1 1 28 28 ASP H H 28 8.290 8.290 8.320 -0.030 18281 972 1 2 . 1 1 29 29 ASN N N 29 113.110 113.110 115.064 -1.954 18281 973 1 2 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.744 -0.014 18281 974 1 2 . 1 1 29 29 ASN C C 29 176.430 176.430 176.703 -0.273 18281 975 1 2 . 1 1 29 29 ASN CA C 29 53.610 53.610 53.377 0.234 18281 976 1 2 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.954 0.306 18281 977 1 2 . 1 1 29 29 ASN H H 29 7.360 7.360 7.290 0.070 18281 978 1 2 . 1 1 30 30 LEU N N 30 120.630 120.630 122.620 -1.990 18281 979 1 2 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.866 0.154 18281 980 1 2 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.569 0.231 18281 981 1 2 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.563 1.216 18281 982 1 2 . 1 1 30 30 LEU H H 30 8.320 8.320 8.572 -0.252 18281 983 1 2 . 1 1 31 31 ILE N N 31 116.170 116.170 119.681 -3.511 18281 984 1 2 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.660 -0.010 18281 985 1 2 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.422 -0.622 18281 986 1 2 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.301 -1.391 18281 987 1 2 . 1 1 31 31 ILE H H 31 8.140 8.140 7.512 0.628 18281 988 1 2 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.245 0.275 18281 989 1 2 . 1 1 32 32 PRO C C 32 177.680 177.680 177.710 -0.030 18281 990 1 2 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.610 0.910 18281 991 1 2 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.144 0.376 18281 992 1 2 . 1 1 33 33 LYS N N 33 112.410 112.410 117.953 -5.543 18281 993 1 2 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.103 0.047 18281 994 1 2 . 1 1 33 33 LYS C C 33 178.220 178.220 177.959 0.261 18281 995 1 2 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.331 -0.041 18281 996 1 2 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.274 0.636 18281 997 1 2 . 1 1 33 33 LYS H H 33 6.880 6.880 7.002 -0.122 18281 998 1 2 . 1 1 34 34 ILE N N 34 112.260 112.260 116.803 -4.543 18281 999 1 2 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.943 0.377 18281 1000 1 2 . 1 1 34 34 ILE C C 34 175.920 175.920 176.052 -0.132 18281 1001 1 2 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.056 -1.236 18281 1002 1 2 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.743 0.607 18281 1003 1 2 . 1 1 34 34 ILE H H 34 7.560 7.560 7.442 0.118 18281 1004 1 2 . 1 1 35 35 ALA N N 35 124.420 124.420 121.844 2.576 18281 1005 1 2 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.860 0.110 18281 1006 1 2 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.694 0.666 18281 1007 1 2 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.239 0.021 18281 1008 1 2 . 1 1 35 35 ALA H H 35 8.820 8.820 7.369 1.451 18281 1009 1 2 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.376 0.354 18281 1010 1 2 . 1 1 36 36 PRO C C 36 177.890 177.890 177.648 0.242 18281 1011 1 2 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.474 -0.234 18281 1012 1 2 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.375 -0.695 18281 1013 1 2 . 1 1 37 37 GLN N N 37 115.580 115.580 116.932 -1.352 18281 1014 1 2 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.174 0.076 18281 1015 1 2 . 1 1 37 37 GLN C C 37 177.740 177.740 176.800 0.940 18281 1016 1 2 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.487 -0.177 18281 1017 1 2 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.057 -0.537 18281 1018 1 2 . 1 1 37 37 GLN H H 37 8.660 8.660 8.380 0.280 18281 1019 1 2 . 1 1 38 38 ALA N N 38 123.250 123.250 120.302 2.948 18281 1020 1 2 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.270 0.120 18281 1021 1 2 . 1 1 38 38 ALA C C 38 177.850 177.850 177.599 0.251 18281 1022 1 2 . 1 1 38 38 ALA CA C 38 53.500 53.500 54.013 -0.513 18281 1023 1 2 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.658 0.172 18281 1024 1 2 . 1 1 38 38 ALA H H 38 8.030 8.030 7.450 0.580 18281 1025 1 2 . 1 1 39 39 VAL N N 39 117.330 117.330 110.900 6.430 18281 1026 1 2 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.231 -0.101 18281 1027 1 2 . 1 1 39 39 VAL C C 39 172.750 172.750 174.675 -1.925 18281 1028 1 2 . 1 1 39 39 VAL CA C 39 62.450 62.450 59.456 2.994 18281 1029 1 2 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.082 -1.452 18281 1030 1 2 . 1 1 39 39 VAL H H 39 7.660 7.660 7.161 0.499 18281 1031 1 2 . 1 1 40 40 LYS N N 40 125.270 125.270 122.180 3.090 18281 1032 1 2 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.185 0.275 18281 1033 1 2 . 1 1 40 40 LYS C C 40 177.240 177.240 176.801 0.439 18281 1034 1 2 . 1 1 40 40 LYS CA C 40 57.450 57.450 59.061 -1.611 18281 1035 1 2 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.267 0.733 18281 1036 1 2 . 1 1 40 40 LYS H H 40 8.910 8.910 8.369 0.541 18281 1037 1 2 . 1 1 41 41 CYS N N 41 112.210 112.210 115.234 -3.024 18281 1038 1 2 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.363 0.197 18281 1039 1 2 . 1 1 41 41 CYS C C 41 170.900 170.900 172.567 -1.667 18281 1040 1 2 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.452 -2.432 18281 1041 1 2 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.127 -0.327 18281 1042 1 2 . 1 1 41 41 CYS H H 41 7.680 7.680 7.819 -0.139 18281 1043 1 2 . 1 1 42 42 ALA N N 42 125.620 125.620 127.780 -2.160 18281 1044 1 2 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.472 0.748 18281 1045 1 2 . 1 1 42 42 ALA C C 42 175.690 175.690 175.959 -0.269 18281 1046 1 2 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.511 -0.531 18281 1047 1 2 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.767 2.233 18281 1048 1 2 . 1 1 42 42 ALA H H 42 8.700 8.700 8.578 0.122 18281 1049 1 2 . 1 1 43 43 GLU N N 43 120.730 120.730 123.860 -3.130 18281 1050 1 2 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.667 -0.007 18281 1051 1 2 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.684 -0.314 18281 1052 1 2 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.136 0.984 18281 1053 1 2 . 1 1 43 43 GLU H H 43 8.810 8.810 8.213 0.597 18281 1054 1 2 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.484 -0.444 18281 1055 1 2 . 1 1 44 44 ILE C C 44 176.190 176.190 176.082 0.108 18281 1056 1 2 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.684 1.306 18281 1057 1 2 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.563 -0.783 18281 1058 1 2 . 1 1 45 45 LEU N N 45 129.030 129.030 128.658 0.372 18281 1059 1 2 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.151 0.299 18281 1060 1 2 . 1 1 45 45 LEU C C 45 177.270 177.270 177.099 0.171 18281 1061 1 2 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.255 -1.245 18281 1062 1 2 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.642 -0.162 18281 1063 1 2 . 1 1 45 45 LEU H H 45 9.090 9.090 9.002 0.088 18281 1064 1 2 . 1 1 46 46 GLU N N 46 116.640 116.640 113.937 2.703 18281 1065 1 2 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.484 0.126 18281 1066 1 2 . 1 1 46 46 GLU C C 46 174.840 174.840 175.648 -0.808 18281 1067 1 2 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.657 -0.048 18281 1068 1 2 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.079 0.491 18281 1069 1 2 . 1 1 46 46 GLU H H 46 7.700 7.700 7.506 0.194 18281 1070 1 2 . 1 1 47 47 GLY N N 47 110.230 110.230 110.124 0.106 18281 1071 1 2 . 1 1 47 47 GLY C C 47 173.630 173.630 173.639 -0.009 18281 1072 1 2 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.737 -1.057 18281 1073 1 2 . 1 1 47 47 GLY H H 47 8.620 8.620 8.738 -0.118 18281 1074 1 2 . 1 1 48 48 ASP N N 48 115.220 115.220 121.222 -6.002 18281 1075 1 2 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.333 0.437 18281 1076 1 2 . 1 1 48 48 ASP C C 48 177.340 177.340 176.063 1.277 18281 1077 1 2 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.761 -1.841 18281 1078 1 2 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.720 1.960 18281 1079 1 2 . 1 1 48 48 ASP H H 48 7.960 7.960 8.378 -0.418 18281 1080 1 2 . 1 1 49 49 GLY N N 49 110.900 110.900 102.671 8.229 18281 1081 1 2 . 1 1 49 49 GLY C C 49 174.750 174.750 174.261 0.489 18281 1082 1 2 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.108 0.202 18281 1083 1 2 . 1 1 49 49 GLY H H 49 8.750 8.750 8.374 0.376 18281 1084 1 2 . 1 1 50 50 GLY N N 50 107.020 107.020 108.451 -1.431 18281 1085 1 2 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.944 0.656 18281 1086 1 2 . 1 1 50 50 GLY H H 50 8.300 8.300 8.120 0.180 18281 1087 1 2 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.347 -0.387 18281 1088 1 2 . 1 1 51 51 PRO C C 51 176.780 176.780 176.786 -0.006 18281 1089 1 2 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.576 1.424 18281 1090 1 2 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.535 0.335 18281 1091 1 2 . 1 1 52 52 GLY N N 52 114.320 114.320 114.864 -0.544 18281 1092 1 2 . 1 1 52 52 GLY C C 52 174.170 174.170 174.121 0.049 18281 1093 1 2 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.383 -0.703 18281 1094 1 2 . 1 1 52 52 GLY H H 52 9.240 9.240 8.711 0.529 18281 1095 1 2 . 1 1 53 53 THR N N 53 118.900 118.900 116.390 2.510 18281 1096 1 2 . 1 1 53 53 THR HA H 53 4.660 4.660 4.577 0.083 18281 1097 1 2 . 1 1 53 53 THR C C 53 173.510 173.510 174.171 -0.661 18281 1098 1 2 . 1 1 53 53 THR CA C 53 64.580 64.580 63.676 0.904 18281 1099 1 2 . 1 1 53 53 THR CB C 53 70.070 70.070 70.588 -0.518 18281 1100 1 2 . 1 1 53 53 THR H H 53 7.910 7.910 7.434 0.476 18281 1101 1 2 . 1 1 54 54 ILE N N 54 124.830 124.830 126.664 -1.834 18281 1102 1 2 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.453 0.857 18281 1103 1 2 . 1 1 54 54 ILE C C 54 175.260 175.260 174.607 0.653 18281 1104 1 2 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.620 -0.750 18281 1105 1 2 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.491 -0.041 18281 1106 1 2 . 1 1 54 54 ILE H H 54 8.550 8.550 8.928 -0.378 18281 1107 1 2 . 1 1 55 55 LYS N N 55 126.970 126.970 126.735 0.235 18281 1108 1 2 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.256 0.044 18281 1109 1 2 . 1 1 55 55 LYS C C 55 173.950 173.950 175.542 -1.592 18281 1110 1 2 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.414 -0.584 18281 1111 1 2 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.893 0.837 18281 1112 1 2 . 1 1 55 55 LYS H H 55 9.400 9.400 9.101 0.299 18281 1113 1 2 . 1 1 56 56 LYS N N 56 124.220 124.220 124.352 -0.132 18281 1114 1 2 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.744 0.536 18281 1115 1 2 . 1 1 56 56 LYS C C 56 175.230 175.230 174.425 0.805 18281 1116 1 2 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.798 -1.008 18281 1117 1 2 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.950 0.110 18281 1118 1 2 . 1 1 56 56 LYS H H 56 9.360 9.360 9.062 0.298 18281 1119 1 2 . 1 1 57 57 ILE N N 57 132.380 132.380 127.248 5.132 18281 1120 1 2 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.515 0.125 18281 1121 1 2 . 1 1 57 57 ILE C C 57 174.840 174.840 174.828 0.012 18281 1122 1 2 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.972 0.508 18281 1123 1 2 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.244 -1.974 18281 1124 1 2 . 1 1 57 57 ILE H H 57 9.240 9.240 9.304 -0.064 18281 1125 1 2 . 1 1 58 58 THR N N 58 122.310 122.310 116.408 5.902 18281 1126 1 2 . 1 1 58 58 THR HA H 58 5.180 5.180 4.919 0.261 18281 1127 1 2 . 1 1 58 58 THR C C 58 174.260 174.260 173.741 0.519 18281 1128 1 2 . 1 1 58 58 THR CA C 58 61.720 61.720 60.123 1.597 18281 1129 1 2 . 1 1 58 58 THR CB C 58 70.640 70.640 71.352 -0.712 18281 1130 1 2 . 1 1 58 58 THR H H 58 8.720 8.720 8.256 0.464 18281 1131 1 2 . 1 1 59 59 PHE N N 59 124.570 124.570 122.906 1.664 18281 1132 1 2 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.859 0.161 18281 1133 1 2 . 1 1 59 59 PHE C C 59 174.510 174.510 176.360 -1.850 18281 1134 1 2 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.515 -1.065 18281 1135 1 2 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.524 0.486 18281 1136 1 2 . 1 1 59 59 PHE H H 59 8.570 8.570 8.602 -0.032 18281 1137 1 2 . 1 1 60 60 GLY N N 60 104.600 104.600 110.469 -5.869 18281 1138 1 2 . 1 1 60 60 GLY C C 60 173.500 173.500 174.736 -1.236 18281 1139 1 2 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.779 0.051 18281 1140 1 2 . 1 1 60 60 GLY H H 60 7.800 7.800 8.790 -0.990 18281 1141 1 2 . 1 1 61 61 GLU N N 61 119.400 119.400 120.557 -1.157 18281 1142 1 2 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.066 0.044 18281 1143 1 2 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.043 -1.243 18281 1144 1 2 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.824 1.116 18281 1145 1 2 . 1 1 61 61 GLU H H 61 8.290 8.290 8.355 -0.065 18281 1146 1 2 . 1 1 62 62 GLY N N 62 110.940 110.940 106.256 4.684 18281 1147 1 2 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.701 0.499 18281 1148 1 2 . 1 1 62 62 GLY H H 62 8.870 8.870 8.210 0.660 18281 1149 1 2 . 1 1 66 66 GLY C C 66 176.930 176.930 171.926 5.004 18281 1150 1 2 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.881 -0.801 18281 1151 1 2 . 1 1 67 67 TYR N N 67 115.490 115.490 115.930 -0.440 18281 1152 1 2 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.580 -0.000 18281 1153 1 2 . 1 1 67 67 TYR C C 67 175.470 175.470 173.431 2.039 18281 1154 1 2 . 1 1 67 67 TYR CA C 67 55.920 55.920 57.138 -1.218 18281 1155 1 2 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.159 0.561 18281 1156 1 2 . 1 1 67 67 TYR H H 67 8.110 8.110 8.071 0.039 18281 1157 1 2 . 1 1 68 68 VAL N N 68 111.980 111.980 122.210 -10.230 18281 1158 1 2 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.693 0.327 18281 1159 1 2 . 1 1 68 68 VAL C C 68 175.480 175.480 175.147 0.333 18281 1160 1 2 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.008 -1.508 18281 1161 1 2 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.551 0.909 18281 1162 1 2 . 1 1 68 68 VAL H H 68 8.840 8.840 8.983 -0.143 18281 1163 1 2 . 1 1 69 69 LYS N N 69 118.430 118.430 124.469 -6.039 18281 1164 1 2 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.114 0.586 18281 1165 1 2 . 1 1 69 69 LYS C C 69 175.740 175.740 175.090 0.650 18281 1166 1 2 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.596 0.774 18281 1167 1 2 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.892 0.688 18281 1168 1 2 . 1 1 69 69 LYS H H 69 8.590 8.590 9.117 -0.527 18281 1169 1 2 . 1 1 70 70 HIS N N 70 122.590 122.590 121.069 1.521 18281 1170 1 2 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.223 0.967 18281 1171 1 2 . 1 1 70 70 HIS C C 70 174.590 174.590 173.654 0.936 18281 1172 1 2 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.865 -4.026 18281 1173 1 2 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.278 2.732 18281 1174 1 2 . 1 1 70 70 HIS H H 70 9.160 9.160 8.619 0.541 18281 1175 1 2 . 1 1 71 71 LYS N N 71 122.760 122.760 123.695 -0.935 18281 1176 1 2 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.607 -0.117 18281 1177 1 2 . 1 1 71 71 LYS C C 71 175.500 175.500 174.763 0.737 18281 1178 1 2 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.903 0.137 18281 1179 1 2 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.504 -0.634 18281 1180 1 2 . 1 1 71 71 LYS H H 71 9.460 9.460 9.424 0.036 18281 1181 1 2 . 1 1 72 72 ILE N N 72 127.870 127.870 125.734 2.136 18281 1182 1 2 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.256 -0.376 18281 1183 1 2 . 1 1 72 72 ILE C C 72 175.430 175.430 175.728 -0.298 18281 1184 1 2 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.484 1.915 18281 1185 1 2 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.869 -1.829 18281 1186 1 2 . 1 1 72 72 ILE H H 72 9.320 9.320 8.512 0.808 18281 1187 1 2 . 1 1 73 73 HIS N N 73 127.690 127.690 125.600 2.090 18281 1188 1 2 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.692 0.428 18281 1189 1 2 . 1 1 73 73 HIS C C 73 176.240 176.240 175.343 0.897 18281 1190 1 2 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.522 -0.551 18281 1191 1 2 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.850 0.090 18281 1192 1 2 . 1 1 73 73 HIS H H 73 9.080 9.080 8.314 0.766 18281 1193 1 2 . 1 1 74 74 SER N N 74 110.900 110.900 111.884 -0.984 18281 1194 1 2 . 1 1 74 74 SER HA H 74 4.760 4.760 4.679 0.081 18281 1195 1 2 . 1 1 74 74 SER C C 74 172.620 172.620 172.088 0.532 18281 1196 1 2 . 1 1 74 74 SER CA C 74 57.880 57.880 57.799 0.081 18281 1197 1 2 . 1 1 74 74 SER CB C 74 66.790 66.790 65.344 1.446 18281 1198 1 2 . 1 1 74 74 SER H H 74 8.180 8.180 7.618 0.562 18281 1199 1 2 . 1 1 75 75 ILE N N 75 123.780 123.780 116.168 7.612 18281 1200 1 2 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.898 -0.218 18281 1201 1 2 . 1 1 75 75 ILE C C 75 174.010 174.010 174.390 -0.380 18281 1202 1 2 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.686 2.454 18281 1203 1 2 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.009 -0.699 18281 1204 1 2 . 1 1 75 75 ILE H H 75 8.730 8.730 8.388 0.342 18281 1205 1 2 . 1 1 76 76 ASP N N 76 127.280 127.280 126.080 1.200 18281 1206 1 2 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.037 0.043 18281 1207 1 2 . 1 1 76 76 ASP C C 76 176.680 176.680 175.993 0.687 18281 1208 1 2 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.189 -1.059 18281 1209 1 2 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.345 0.205 18281 1210 1 2 . 1 1 76 76 ASP H H 76 9.110 9.110 8.948 0.162 18281 1211 1 2 . 1 1 77 77 LYS N N 77 122.400 122.400 123.185 -0.785 18281 1212 1 2 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.576 0.404 18281 1213 1 2 . 1 1 77 77 LYS C C 77 175.980 175.980 177.415 -1.435 18281 1214 1 2 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.389 -1.969 18281 1215 1 2 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.262 0.518 18281 1216 1 2 . 1 1 77 77 LYS H H 77 8.890 8.890 8.684 0.206 18281 1217 1 2 . 1 1 78 78 VAL N N 78 119.300 119.300 117.378 1.922 18281 1218 1 2 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.570 0.090 18281 1219 1 2 . 1 1 78 78 VAL C C 78 176.290 176.290 176.333 -0.043 18281 1220 1 2 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.820 -0.400 18281 1221 1 2 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.415 0.685 18281 1222 1 2 . 1 1 78 78 VAL H H 78 8.110 8.110 7.959 0.151 18281 1223 1 2 . 1 1 79 79 ASN N N 79 114.400 114.400 116.041 -1.641 18281 1224 1 2 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.664 -0.184 18281 1225 1 2 . 1 1 79 79 ASN C C 79 173.670 173.670 174.752 -1.082 18281 1226 1 2 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.065 -0.524 18281 1227 1 2 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.031 1.059 18281 1228 1 2 . 1 1 79 79 ASN H H 79 7.700 7.700 7.928 -0.228 18281 1229 1 2 . 1 1 80 80 HIS N N 80 115.530 115.530 114.022 1.508 18281 1230 1 2 . 1 1 80 80 HIS C C 80 173.450 173.450 173.328 0.122 18281 1231 1 2 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.842 -0.312 18281 1232 1 2 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.534 0.666 18281 1233 1 2 . 1 1 80 80 HIS H H 80 6.980 6.980 7.280 -0.300 18281 1234 1 2 . 1 1 81 81 THR N N 81 109.600 109.600 113.815 -4.215 18281 1235 1 2 . 1 1 81 81 THR HA H 81 5.730 5.730 5.147 0.583 18281 1236 1 2 . 1 1 81 81 THR C C 81 172.980 172.980 172.968 0.012 18281 1237 1 2 . 1 1 81 81 THR CA C 81 60.190 60.190 62.402 -2.212 18281 1238 1 2 . 1 1 81 81 THR CB C 81 71.740 71.740 71.713 0.027 18281 1239 1 2 . 1 1 81 81 THR H H 81 7.990 7.990 7.692 0.298 18281 1240 1 2 . 1 1 82 82 TYR N N 82 125.000 125.000 128.665 -3.665 18281 1241 1 2 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.032 0.668 18281 1242 1 2 . 1 1 82 82 TYR C C 82 173.600 173.600 173.127 0.473 18281 1243 1 2 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.149 -1.819 18281 1244 1 2 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.090 0.720 18281 1245 1 2 . 1 1 82 82 TYR H H 82 9.300 9.300 9.361 -0.061 18281 1246 1 2 . 1 1 83 83 SER N N 83 121.820 121.820 122.614 -0.794 18281 1247 1 2 . 1 1 83 83 SER HA H 83 5.670 5.670 4.949 0.721 18281 1248 1 2 . 1 1 83 83 SER C C 83 173.490 173.490 172.833 0.657 18281 1249 1 2 . 1 1 83 83 SER CA C 83 56.420 56.420 56.606 -0.186 18281 1250 1 2 . 1 1 83 83 SER CB C 83 65.520 65.520 65.008 0.512 18281 1251 1 2 . 1 1 83 83 SER H H 83 9.090 9.090 7.943 1.147 18281 1252 1 2 . 1 1 84 84 TYR N N 84 122.970 122.970 122.799 0.171 18281 1253 1 2 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.011 0.219 18281 1254 1 2 . 1 1 84 84 TYR C C 84 172.530 172.530 173.042 -0.512 18281 1255 1 2 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.357 0.063 18281 1256 1 2 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.184 -0.234 18281 1257 1 2 . 1 1 84 84 TYR H H 84 8.790 8.790 8.761 0.029 18281 1258 1 2 . 1 1 85 85 SER N N 85 114.200 114.200 112.959 1.241 18281 1259 1 2 . 1 1 85 85 SER HA H 85 5.700 5.700 5.210 0.490 18281 1260 1 2 . 1 1 85 85 SER C C 85 173.180 173.180 172.689 0.491 18281 1261 1 2 . 1 1 85 85 SER CA C 85 57.510 57.510 57.429 0.081 18281 1262 1 2 . 1 1 85 85 SER CB C 85 65.940 65.940 67.040 -1.100 18281 1263 1 2 . 1 1 85 85 SER H H 85 9.350 9.350 9.478 -0.128 18281 1264 1 2 . 1 1 86 86 LEU N N 86 128.880 128.880 123.780 5.100 18281 1265 1 2 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.802 0.428 18281 1266 1 2 . 1 1 86 86 LEU C C 86 176.230 176.230 176.606 -0.376 18281 1267 1 2 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.216 1.374 18281 1268 1 2 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.728 0.422 18281 1269 1 2 . 1 1 86 86 LEU H H 86 9.900 9.900 8.717 1.183 18281 1270 1 2 . 1 1 87 87 ILE N N 87 115.900 115.900 126.048 -10.148 18281 1271 1 2 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.014 0.916 18281 1272 1 2 . 1 1 87 87 ILE C C 87 176.080 176.080 176.127 -0.047 18281 1273 1 2 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.099 -2.829 18281 1274 1 2 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.928 0.902 18281 1275 1 2 . 1 1 87 87 ILE H H 87 8.180 8.180 8.818 -0.638 18281 1276 1 2 . 1 1 88 88 GLU N N 88 121.920 121.920 116.811 5.109 18281 1277 1 2 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.537 -0.027 18281 1278 1 2 . 1 1 88 88 GLU C C 88 174.020 174.020 174.883 -0.863 18281 1279 1 2 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.868 2.172 18281 1280 1 2 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.355 1.615 18281 1281 1 2 . 1 1 88 88 GLU H H 88 7.650 7.650 7.617 0.033 18281 1282 1 2 . 1 1 89 89 GLY N N 89 111.650 111.650 106.928 4.722 18281 1283 1 2 . 1 1 89 89 GLY C C 89 173.800 173.800 173.045 0.755 18281 1284 1 2 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.992 -0.042 18281 1285 1 2 . 1 1 89 89 GLY H H 89 8.830 8.830 8.269 0.561 18281 1286 1 2 . 1 1 90 90 ASP N N 90 119.650 119.650 121.387 -1.737 18281 1287 1 2 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.341 0.019 18281 1288 1 2 . 1 1 90 90 ASP C C 90 176.570 176.570 177.661 -1.091 18281 1289 1 2 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.572 0.468 18281 1290 1 2 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.748 0.532 18281 1291 1 2 . 1 1 90 90 ASP H H 90 8.430 8.430 8.562 -0.132 18281 1292 1 2 . 1 1 91 91 ALA N N 91 118.530 118.530 117.804 0.726 18281 1293 1 2 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.178 0.062 18281 1294 1 2 . 1 1 91 91 ALA C C 91 177.740 177.740 178.281 -0.541 18281 1295 1 2 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.434 -0.224 18281 1296 1 2 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.939 0.371 18281 1297 1 2 . 1 1 91 91 ALA H H 91 7.810 7.810 7.962 -0.152 18281 1298 1 2 . 1 1 92 92 LEU N N 92 117.330 117.330 117.842 -0.512 18281 1299 1 2 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.274 0.186 18281 1300 1 2 . 1 1 92 92 LEU C C 92 176.210 176.210 176.540 -0.330 18281 1301 1 2 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.598 -1.578 18281 1302 1 2 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.560 -2.350 18281 1303 1 2 . 1 1 92 92 LEU H H 92 7.600 7.600 7.574 0.026 18281 1304 1 2 . 1 1 93 93 SER N N 93 115.780 115.780 113.905 1.875 18281 1305 1 2 . 1 1 93 93 SER HA H 93 4.620 4.620 4.046 0.574 18281 1306 1 2 . 1 1 93 93 SER C C 93 173.970 173.970 173.969 0.001 18281 1307 1 2 . 1 1 93 93 SER CA C 93 57.730 57.730 59.373 -1.643 18281 1308 1 2 . 1 1 93 93 SER CB C 93 64.920 64.920 62.663 2.257 18281 1309 1 2 . 1 1 93 93 SER H H 93 7.910 7.910 7.761 0.149 18281 1310 1 2 . 1 1 94 94 GLU N N 94 119.400 119.400 119.991 -0.591 18281 1311 1 2 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.365 -0.205 18281 1312 1 2 . 1 1 94 94 GLU C C 94 176.570 176.570 175.862 0.708 18281 1313 1 2 . 1 1 94 94 GLU CA C 94 58.700 58.700 56.741 1.959 18281 1314 1 2 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.800 -0.590 18281 1315 1 2 . 1 1 94 94 GLU H H 94 8.850 8.850 8.680 0.170 18281 1316 1 2 . 1 1 95 95 ASN N N 95 113.460 113.460 117.041 -3.581 18281 1317 1 2 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.885 -0.085 18281 1318 1 2 . 1 1 95 95 ASN C C 95 174.070 174.070 174.760 -0.690 18281 1319 1 2 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.826 0.294 18281 1320 1 2 . 1 1 95 95 ASN CB C 95 39.350 39.350 40.581 -1.231 18281 1321 1 2 . 1 1 95 95 ASN H H 95 8.290 8.290 8.367 -0.077 18281 1322 1 2 . 1 1 96 96 ILE N N 96 120.610 120.610 121.478 -0.868 18281 1323 1 2 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.108 0.082 18281 1324 1 2 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.661 -0.731 18281 1325 1 2 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.675 0.195 18281 1326 1 2 . 1 1 96 96 ILE H H 96 7.770 7.770 7.653 0.117 18281 1327 1 2 . 1 1 97 97 GLU N N 97 126.670 126.670 125.608 1.062 18281 1328 1 2 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.472 0.318 18281 1329 1 2 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.306 0.894 18281 1330 1 2 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.966 1.984 18281 1331 1 2 . 1 1 97 97 GLU H H 97 8.460 8.460 9.009 -0.549 18281 1332 1 2 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.366 0.344 18281 1333 1 2 . 1 1 98 98 LYS C C 98 173.650 173.650 176.891 -3.241 18281 1334 1 2 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.532 -1.562 18281 1335 1 2 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.995 1.805 18281 1336 1 2 . 1 1 99 99 ILE N N 99 120.290 120.290 119.446 0.844 18281 1337 1 2 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.544 0.246 18281 1338 1 2 . 1 1 99 99 ILE C C 99 174.690 174.690 174.494 0.196 18281 1339 1 2 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.052 0.248 18281 1340 1 2 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.196 0.354 18281 1341 1 2 . 1 1 99 99 ILE H H 99 7.720 7.720 8.400 -0.680 18281 1342 1 2 . 1 1 100 100 ASP N N 100 126.970 126.970 125.600 1.370 18281 1343 1 2 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.826 0.274 18281 1344 1 2 . 1 1 100 100 ASP C C 100 174.490 174.490 174.179 0.311 18281 1345 1 2 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.604 0.026 18281 1346 1 2 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.185 0.665 18281 1347 1 2 . 1 1 100 100 ASP H H 100 9.220 9.220 8.516 0.704 18281 1348 1 2 . 1 1 101 101 TYR N N 101 120.640 120.640 124.220 -3.580 18281 1349 1 2 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.877 0.403 18281 1350 1 2 . 1 1 101 101 TYR C C 101 175.740 175.740 174.998 0.742 18281 1351 1 2 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.544 0.436 18281 1352 1 2 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.349 0.291 18281 1353 1 2 . 1 1 101 101 TYR H H 101 9.140 9.140 8.731 0.409 18281 1354 1 2 . 1 1 102 102 GLU N N 102 122.040 122.040 122.005 0.035 18281 1355 1 2 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.894 0.236 18281 1356 1 2 . 1 1 102 102 GLU C C 102 175.360 175.360 175.492 -0.132 18281 1357 1 2 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.415 0.455 18281 1358 1 2 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.310 -1.240 18281 1359 1 2 . 1 1 102 102 GLU H H 102 8.670 8.670 8.840 -0.170 18281 1360 1 2 . 1 1 103 103 THR N N 103 125.840 125.840 120.469 5.371 18281 1361 1 2 . 1 1 103 103 THR HA H 103 5.580 5.580 5.023 0.557 18281 1362 1 2 . 1 1 103 103 THR C C 103 172.780 172.780 173.000 -0.220 18281 1363 1 2 . 1 1 103 103 THR CA C 103 62.150 62.150 61.789 0.361 18281 1364 1 2 . 1 1 103 103 THR CB C 103 71.750 71.750 71.717 0.033 18281 1365 1 2 . 1 1 103 103 THR H H 103 9.550 9.550 9.078 0.472 18281 1366 1 2 . 1 1 104 104 LYS N N 104 126.990 126.990 127.250 -0.260 18281 1367 1 2 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.866 0.374 18281 1368 1 2 . 1 1 104 104 LYS C C 104 174.300 174.300 174.235 0.065 18281 1369 1 2 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.169 0.162 18281 1370 1 2 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.250 -0.310 18281 1371 1 2 . 1 1 104 104 LYS H H 104 9.430 9.430 8.552 0.878 18281 1372 1 2 . 1 1 105 105 LEU N N 105 124.700 124.700 127.828 -3.128 18281 1373 1 2 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.641 0.569 18281 1374 1 2 . 1 1 105 105 LEU C C 105 175.780 175.780 175.675 0.105 18281 1375 1 2 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.130 0.490 18281 1376 1 2 . 1 1 105 105 LEU CB C 105 41.950 41.950 43.017 -1.067 18281 1377 1 2 . 1 1 105 105 LEU H H 105 8.410 8.410 8.397 0.013 18281 1378 1 2 . 1 1 106 106 VAL N N 106 123.290 123.290 123.557 -0.267 18281 1379 1 2 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.388 0.042 18281 1380 1 2 . 1 1 106 106 VAL C C 106 175.560 175.560 174.423 1.137 18281 1381 1 2 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.512 -0.042 18281 1382 1 2 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.828 -0.808 18281 1383 1 2 . 1 1 106 106 VAL H H 106 9.180 9.180 9.234 -0.054 18281 1384 1 2 . 1 1 107 107 SER N N 107 121.800 121.800 120.202 1.598 18281 1385 1 2 . 1 1 107 107 SER HA H 107 4.660 4.660 4.703 -0.043 18281 1386 1 2 . 1 1 107 107 SER C C 107 173.600 173.600 173.131 0.469 18281 1387 1 2 . 1 1 107 107 SER CA C 107 59.860 59.860 57.488 2.372 18281 1388 1 2 . 1 1 107 107 SER CB C 107 63.250 63.250 65.566 -2.316 18281 1389 1 2 . 1 1 107 107 SER H H 107 8.910 8.910 8.434 0.476 18281 1390 1 2 . 1 1 108 108 ALA N N 108 129.210 129.210 125.743 3.467 18281 1391 1 2 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.955 -0.325 18281 1392 1 2 . 1 1 108 108 ALA CA C 108 49.620 49.620 49.027 0.593 18281 1393 1 2 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.729 0.071 18281 1394 1 2 . 1 1 108 108 ALA H H 108 8.310 8.310 8.206 0.104 18281 1395 1 2 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.256 0.164 18281 1396 1 2 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.567 -0.866 18281 1397 1 2 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.512 0.688 18281 1398 1 2 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.441 0.329 18281 1399 1 2 . 1 1 110 110 HIS C C 110 175.760 175.760 176.387 -0.627 18281 1400 1 2 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.597 -1.207 18281 1401 1 2 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.868 -0.458 18281 1402 1 2 . 1 1 111 111 GLY N N 111 108.720 108.720 107.398 1.322 18281 1403 1 2 . 1 1 111 111 GLY C C 111 174.390 174.390 173.881 0.509 18281 1404 1 2 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.248 -0.117 18281 1405 1 2 . 1 1 111 111 GLY H H 111 7.730 7.730 7.894 -0.164 18281 1406 1 2 . 1 1 112 112 GLY N N 112 107.670 107.670 108.395 -0.725 18281 1407 1 2 . 1 1 112 112 GLY C C 112 174.150 174.150 173.198 0.952 18281 1408 1 2 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.227 0.193 18281 1409 1 2 . 1 1 112 112 GLY H H 112 7.600 7.600 7.904 -0.304 18281 1410 1 2 . 1 1 113 113 THR N N 113 119.830 119.830 116.324 3.506 18281 1411 1 2 . 1 1 113 113 THR HA H 113 5.060 5.060 4.695 0.365 18281 1412 1 2 . 1 1 113 113 THR C C 113 173.250 173.250 173.416 -0.166 18281 1413 1 2 . 1 1 113 113 THR CA C 113 62.990 62.990 62.102 0.888 18281 1414 1 2 . 1 1 113 113 THR CB C 113 72.270 72.270 70.609 1.661 18281 1415 1 2 . 1 1 113 113 THR H H 113 9.070 9.070 8.056 1.014 18281 1416 1 2 . 1 1 114 114 ILE N N 114 127.600 127.600 127.697 -0.097 18281 1417 1 2 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.224 0.286 18281 1418 1 2 . 1 1 114 114 ILE C C 114 174.370 174.370 174.299 0.071 18281 1419 1 2 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.060 0.100 18281 1420 1 2 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.434 0.536 18281 1421 1 2 . 1 1 114 114 ILE H H 114 9.490 9.490 9.167 0.323 18281 1422 1 2 . 1 1 115 115 ILE N N 115 129.200 129.200 125.210 3.990 18281 1423 1 2 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.856 -0.356 18281 1424 1 2 . 1 1 115 115 ILE C C 115 175.000 175.000 174.769 0.231 18281 1425 1 2 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.956 1.444 18281 1426 1 2 . 1 1 115 115 ILE CB C 115 38.000 38.000 41.454 -3.454 18281 1427 1 2 . 1 1 115 115 ILE H H 115 9.220 9.220 8.936 0.284 18281 1428 1 2 . 1 1 116 116 LYS N N 116 127.550 127.550 127.457 0.093 18281 1429 1 2 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.327 -0.157 18281 1430 1 2 . 1 1 116 116 LYS C C 116 176.300 176.300 175.741 0.559 18281 1431 1 2 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.996 0.374 18281 1432 1 2 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.012 -0.432 18281 1433 1 2 . 1 1 116 116 LYS H H 116 9.130 9.130 8.459 0.671 18281 1434 1 2 . 1 1 117 117 THR N N 117 120.940 120.940 121.460 -0.520 18281 1435 1 2 . 1 1 117 117 THR HA H 117 5.730 5.730 5.232 0.498 18281 1436 1 2 . 1 1 117 117 THR C C 117 174.620 174.620 173.881 0.739 18281 1437 1 2 . 1 1 117 117 THR CA C 117 60.990 60.990 61.290 -0.300 18281 1438 1 2 . 1 1 117 117 THR CB C 117 71.750 71.750 71.125 0.625 18281 1439 1 2 . 1 1 117 117 THR H H 117 9.020 9.020 9.274 -0.254 18281 1440 1 2 . 1 1 118 118 THR N N 118 125.750 125.750 124.129 1.621 18281 1441 1 2 . 1 1 118 118 THR HA H 118 5.170 5.170 5.564 -0.394 18281 1442 1 2 . 1 1 118 118 THR C C 118 173.760 173.760 172.943 0.817 18281 1443 1 2 . 1 1 118 118 THR CA C 118 61.800 61.800 61.110 0.690 18281 1444 1 2 . 1 1 118 118 THR CB C 118 70.720 70.720 71.546 -0.826 18281 1445 1 2 . 1 1 118 118 THR H H 118 9.500 9.500 8.717 0.783 18281 1446 1 2 . 1 1 119 119 SER N N 119 122.250 122.250 119.023 3.227 18281 1447 1 2 . 1 1 119 119 SER HA H 119 5.270 5.270 5.097 0.173 18281 1448 1 2 . 1 1 119 119 SER C C 119 172.960 172.960 171.970 0.990 18281 1449 1 2 . 1 1 119 119 SER CA C 119 55.860 55.860 56.847 -0.987 18281 1450 1 2 . 1 1 119 119 SER CB C 119 66.720 66.720 65.476 1.244 18281 1451 1 2 . 1 1 119 119 SER H H 119 9.410 9.410 8.665 0.745 18281 1452 1 2 . 1 1 120 120 LYS N N 120 124.120 124.120 126.333 -2.213 18281 1453 1 2 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.481 0.759 18281 1454 1 2 . 1 1 120 120 LYS C C 120 174.780 174.780 173.915 0.865 18281 1455 1 2 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.928 -0.098 18281 1456 1 2 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.324 -0.164 18281 1457 1 2 . 1 1 120 120 LYS H H 120 9.150 9.150 8.067 1.083 18281 1458 1 2 . 1 1 121 121 TYR N N 121 126.500 126.500 123.042 3.458 18281 1459 1 2 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.064 0.936 18281 1460 1 2 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.477 -0.277 18281 1461 1 2 . 1 1 121 121 TYR H H 121 9.800 9.800 8.729 1.071 18281 1462 1 2 . 1 1 122 122 HIS C C 122 174.670 174.670 174.834 -0.164 18281 1463 1 2 . 1 1 123 123 THR N N 123 125.750 125.750 113.908 11.842 18281 1464 1 2 . 1 1 123 123 THR HA H 123 5.400 5.400 4.643 0.757 18281 1465 1 2 . 1 1 123 123 THR C C 123 174.460 174.460 174.723 -0.263 18281 1466 1 2 . 1 1 123 123 THR CA C 123 60.230 60.230 60.236 -0.006 18281 1467 1 2 . 1 1 123 123 THR CB C 123 71.260 71.260 71.363 -0.103 18281 1468 1 2 . 1 1 123 123 THR H H 123 8.920 8.920 8.399 0.521 18281 1469 1 2 . 1 1 124 124 LYS N N 124 121.170 121.170 123.470 -2.300 18281 1470 1 2 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.266 0.494 18281 1471 1 2 . 1 1 124 124 LYS C C 124 176.450 176.450 177.126 -0.676 18281 1472 1 2 . 1 1 124 124 LYS CA C 124 55.510 55.510 59.166 -3.656 18281 1473 1 2 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.682 1.218 18281 1474 1 2 . 1 1 124 124 LYS H H 124 8.590 8.590 8.436 0.154 18281 1475 1 2 . 1 1 125 125 GLY N N 125 110.070 110.070 105.174 4.896 18281 1476 1 2 . 1 1 125 125 GLY C C 125 173.620 173.620 173.253 0.367 18281 1477 1 2 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.490 -0.220 18281 1478 1 2 . 1 1 125 125 GLY H H 125 8.390 8.390 8.296 0.094 18281 1479 1 2 . 1 1 126 126 ASP N N 126 120.070 120.070 120.087 -0.017 18281 1480 1 2 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.686 -0.016 18281 1481 1 2 . 1 1 126 126 ASP C C 126 175.580 175.580 176.710 -1.130 18281 1482 1 2 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.078 1.212 18281 1483 1 2 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.424 -0.064 18281 1484 1 2 . 1 1 126 126 ASP H H 126 8.440 8.440 8.354 0.086 18281 1485 1 2 . 1 1 127 127 VAL N N 127 119.620 119.620 118.417 1.203 18281 1486 1 2 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.967 0.273 18281 1487 1 2 . 1 1 127 127 VAL C C 127 174.610 174.610 175.461 -0.851 18281 1488 1 2 . 1 1 127 127 VAL CA C 127 61.230 61.230 61.830 -0.600 18281 1489 1 2 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.632 1.618 18281 1490 1 2 . 1 1 127 127 VAL H H 127 7.620 7.620 7.467 0.153 18281 1491 1 2 . 1 1 128 128 GLU N N 128 125.030 125.030 125.441 -0.411 18281 1492 1 2 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.735 -0.605 18281 1493 1 2 . 1 1 128 128 GLU C C 128 175.680 175.680 175.534 0.146 18281 1494 1 2 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.037 0.503 18281 1495 1 2 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.054 -0.264 18281 1496 1 2 . 1 1 128 128 GLU H H 128 8.330 8.330 8.206 0.124 18281 1497 1 2 . 1 1 129 129 ILE N N 129 124.070 124.070 119.991 4.079 18281 1498 1 2 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.388 -0.428 18281 1499 1 2 . 1 1 129 129 ILE C C 129 175.960 175.960 174.663 1.297 18281 1500 1 2 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.642 -0.292 18281 1501 1 2 . 1 1 129 129 ILE CB C 129 36.680 36.680 39.977 -3.297 18281 1502 1 2 . 1 1 129 129 ILE H H 129 7.380 7.380 8.184 -0.804 18281 1503 1 2 . 1 1 130 130 LYS N N 130 127.800 127.800 122.766 5.034 18281 1504 1 2 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.515 -0.235 18281 1505 1 2 . 1 1 130 130 LYS C C 130 177.660 177.660 176.732 0.928 18281 1506 1 2 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.766 0.084 18281 1507 1 2 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.042 -0.232 18281 1508 1 2 . 1 1 130 130 LYS H H 130 8.790 8.790 8.422 0.368 18281 1509 1 2 . 1 1 131 131 GLU N N 131 125.060 125.060 126.200 -1.140 18281 1510 1 2 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.868 -0.058 18281 1511 1 2 . 1 1 131 131 GLU C C 131 178.630 178.630 178.245 0.385 18281 1512 1 2 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.162 -0.652 18281 1513 1 2 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.716 -0.416 18281 1514 1 2 . 1 1 131 131 GLU H H 131 8.880 8.880 9.203 -0.323 18281 1515 1 2 . 1 1 132 132 GLU N N 132 117.220 117.220 116.737 0.483 18281 1516 1 2 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.054 -0.074 18281 1517 1 2 . 1 1 132 132 GLU C C 132 178.630 178.630 179.395 -0.765 18281 1518 1 2 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.151 0.459 18281 1519 1 2 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.825 0.155 18281 1520 1 2 . 1 1 132 132 GLU H H 132 9.200 9.200 9.028 0.172 18281 1521 1 2 . 1 1 133 133 HIS N N 133 119.810 119.810 119.027 0.783 18281 1522 1 2 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.338 0.132 18281 1523 1 2 . 1 1 133 133 HIS C C 133 178.430 178.430 177.802 0.628 18281 1524 1 2 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.620 -0.490 18281 1525 1 2 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.503 1.817 18281 1526 1 2 . 1 1 133 133 HIS H H 133 7.500 7.500 7.863 -0.363 18281 1527 1 2 . 1 1 134 134 VAL N N 134 120.370 120.370 119.823 0.547 18281 1528 1 2 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.493 0.157 18281 1529 1 2 . 1 1 134 134 VAL C C 134 179.170 179.170 177.285 1.885 18281 1530 1 2 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.016 -0.836 18281 1531 1 2 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.817 0.893 18281 1532 1 2 . 1 1 134 134 VAL H H 134 7.290 7.290 8.086 -0.796 18281 1533 1 2 . 1 1 135 135 LYS N N 135 121.310 121.310 120.361 0.949 18281 1534 1 2 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.784 0.176 18281 1535 1 2 . 1 1 135 135 LYS C C 135 178.310 178.310 178.399 -0.089 18281 1536 1 2 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.977 -0.647 18281 1537 1 2 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.269 -0.089 18281 1538 1 2 . 1 1 135 135 LYS H H 135 8.310 8.310 8.484 -0.174 18281 1539 1 2 . 1 1 136 136 ALA N N 136 121.150 121.150 120.588 0.562 18281 1540 1 2 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.080 0.150 18281 1541 1 2 . 1 1 136 136 ALA C C 136 180.930 180.930 179.694 1.236 18281 1542 1 2 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.050 -0.029 18281 1543 1 2 . 1 1 136 136 ALA CB C 136 17.750 17.750 17.997 -0.247 18281 1544 1 2 . 1 1 136 136 ALA H H 136 7.950 7.950 7.710 0.240 18281 1545 1 2 . 1 1 137 137 GLY N N 137 105.640 105.640 106.761 -1.121 18281 1546 1 2 . 1 1 137 137 GLY C C 137 177.000 177.000 176.406 0.594 18281 1547 1 2 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.111 0.049 18281 1548 1 2 . 1 1 137 137 GLY H H 137 7.930 7.930 7.969 -0.039 18281 1549 1 2 . 1 1 138 138 LYS N N 138 124.210 124.210 121.873 2.337 18281 1550 1 2 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.085 0.145 18281 1551 1 2 . 1 1 138 138 LYS C C 138 178.860 178.860 178.866 -0.006 18281 1552 1 2 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.962 -0.172 18281 1553 1 2 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.405 0.265 18281 1554 1 2 . 1 1 138 138 LYS H H 138 7.960 7.960 7.997 -0.037 18281 1555 1 2 . 1 1 139 139 GLU N N 139 119.720 119.720 119.991 -0.271 18281 1556 1 2 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.118 0.022 18281 1557 1 2 . 1 1 139 139 GLU C C 139 179.710 179.710 178.839 0.871 18281 1558 1 2 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.205 -0.025 18281 1559 1 2 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.246 0.054 18281 1560 1 2 . 1 1 139 139 GLU H H 139 8.370 8.370 8.280 0.090 18281 1561 1 2 . 1 1 140 140 LYS N N 140 120.270 120.270 119.547 0.723 18281 1562 1 2 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.025 0.085 18281 1563 1 2 . 1 1 140 140 LYS C C 140 179.210 179.210 179.148 0.062 18281 1564 1 2 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.889 -0.279 18281 1565 1 2 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.361 0.019 18281 1566 1 2 . 1 1 140 140 LYS H H 140 8.140 8.140 8.404 -0.264 18281 1567 1 2 . 1 1 141 141 ALA N N 141 121.910 121.910 121.547 0.363 18281 1568 1 2 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.217 -0.177 18281 1569 1 2 . 1 1 141 141 ALA C C 141 179.530 179.530 179.675 -0.145 18281 1570 1 2 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.037 -0.017 18281 1571 1 2 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.241 0.139 18281 1572 1 2 . 1 1 141 141 ALA H H 141 7.730 7.730 8.042 -0.312 18281 1573 1 2 . 1 1 142 142 ALA N N 142 120.440 120.440 120.905 -0.465 18281 1574 1 2 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.947 -0.067 18281 1575 1 2 . 1 1 142 142 ALA C C 142 180.080 180.080 178.745 1.335 18281 1576 1 2 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.777 0.123 18281 1577 1 2 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.410 -0.180 18281 1578 1 2 . 1 1 142 142 ALA H H 142 8.280 8.280 8.158 0.122 18281 1579 1 2 . 1 1 143 143 HIS N N 143 118.280 118.280 119.588 -1.308 18281 1580 1 2 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.274 0.076 18281 1581 1 2 . 1 1 143 143 HIS C C 143 177.350 177.350 177.740 -0.390 18281 1582 1 2 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.964 -0.534 18281 1583 1 2 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.858 0.892 18281 1584 1 2 . 1 1 143 143 HIS H H 143 8.030 8.030 8.450 -0.420 18281 1585 1 2 . 1 1 144 144 LEU N N 144 118.820 118.820 119.037 -0.217 18281 1586 1 2 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.810 0.100 18281 1587 1 2 . 1 1 144 144 LEU C C 144 179.040 179.040 178.685 0.355 18281 1588 1 2 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.571 0.510 18281 1589 1 2 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.673 -0.713 18281 1590 1 2 . 1 1 144 144 LEU H H 144 7.700 7.700 7.996 -0.296 18281 1591 1 2 . 1 1 145 145 PHE N N 145 116.920 116.920 119.772 -2.852 18281 1592 1 2 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.945 0.055 18281 1593 1 2 . 1 1 145 145 PHE C C 145 177.900 177.900 176.919 0.981 18281 1594 1 2 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.939 0.211 18281 1595 1 2 . 1 1 145 145 PHE CB C 145 37.750 37.750 39.032 -1.282 18281 1596 1 2 . 1 1 145 145 PHE H H 145 8.100 8.100 7.909 0.191 18281 1597 1 2 . 1 1 146 146 LYS N N 146 119.710 119.710 118.154 1.556 18281 1598 1 2 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.922 0.208 18281 1599 1 2 . 1 1 146 146 LYS C C 146 177.750 177.750 178.505 -0.755 18281 1600 1 2 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.449 -0.549 18281 1601 1 2 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.106 0.173 18281 1602 1 2 . 1 1 146 146 LYS H H 146 8.040 8.040 7.931 0.109 18281 1603 1 2 . 1 1 147 147 LEU N N 147 118.970 118.970 119.948 -0.978 18281 1604 1 2 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.020 -0.020 18281 1605 1 2 . 1 1 147 147 LEU C C 147 180.460 180.460 178.933 1.527 18281 1606 1 2 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.191 0.279 18281 1607 1 2 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.733 1.667 18281 1608 1 2 . 1 1 147 147 LEU H H 147 7.960 7.960 7.460 0.500 18281 1609 1 2 . 1 1 148 148 ILE N N 148 121.410 121.410 119.997 1.413 18281 1610 1 2 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.359 0.181 18281 1611 1 2 . 1 1 148 148 ILE C C 148 177.030 177.030 177.916 -0.886 18281 1612 1 2 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.962 -0.562 18281 1613 1 2 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.140 0.550 18281 1614 1 2 . 1 1 148 148 ILE H H 148 8.200 8.200 7.522 0.678 18281 1615 1 2 . 1 1 149 149 GLU N N 149 120.450 120.450 119.775 0.675 18281 1616 1 2 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.859 -0.179 18281 1617 1 2 . 1 1 149 149 GLU C C 149 178.540 178.540 178.897 -0.357 18281 1618 1 2 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.393 0.927 18281 1619 1 2 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.588 -0.758 18281 1620 1 2 . 1 1 149 149 GLU H H 149 8.680 8.680 7.517 1.163 18281 1621 1 2 . 1 1 150 150 GLY N N 150 104.450 104.450 107.007 -2.557 18281 1622 1 2 . 1 1 150 150 GLY C C 150 175.670 175.670 175.719 -0.049 18281 1623 1 2 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.842 0.408 18281 1624 1 2 . 1 1 150 150 GLY H H 150 8.180 8.180 7.968 0.212 18281 1625 1 2 . 1 1 151 151 TYR N N 151 122.120 122.120 124.222 -2.102 18281 1626 1 2 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.094 0.286 18281 1627 1 2 . 1 1 151 151 TYR C C 151 179.360 179.360 177.580 1.780 18281 1628 1 2 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.713 0.607 18281 1629 1 2 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.580 -2.190 18281 1630 1 2 . 1 1 151 151 TYR H H 151 7.910 7.910 8.519 -0.609 18281 1631 1 2 . 1 1 152 152 LEU N N 152 120.020 120.020 118.479 1.541 18281 1632 1 2 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.954 0.076 18281 1633 1 2 . 1 1 152 152 LEU C C 152 180.320 180.320 178.962 1.358 18281 1634 1 2 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.393 0.367 18281 1635 1 2 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.802 -0.802 18281 1636 1 2 . 1 1 152 152 LEU H H 152 8.630 8.630 7.849 0.781 18281 1637 1 2 . 1 1 153 153 LYS N N 153 119.730 119.730 118.921 0.809 18281 1638 1 2 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.938 0.032 18281 1639 1 2 . 1 1 153 153 LYS C C 153 178.150 178.150 178.786 -0.636 18281 1640 1 2 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.203 0.197 18281 1641 1 2 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.369 -0.019 18281 1642 1 2 . 1 1 153 153 LYS H H 153 8.260 8.260 7.456 0.804 18281 1643 1 2 . 1 1 154 154 ASP N N 154 117.020 117.020 117.557 -0.537 18281 1644 1 2 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.392 -0.392 18281 1645 1 2 . 1 1 154 154 ASP C C 154 175.660 175.660 176.926 -1.266 18281 1646 1 2 . 1 1 154 154 ASP CA C 154 55.030 55.030 56.395 -1.365 18281 1647 1 2 . 1 1 154 154 ASP H H 154 7.560 7.560 8.246 -0.686 18281 1648 1 2 . 1 1 155 155 HIS N N 155 117.160 117.160 117.104 0.056 18281 1649 1 2 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.895 0.005 18281 1650 1 2 . 1 1 155 155 HIS CA C 155 54.150 54.150 52.792 1.357 18281 1651 1 2 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.920 -2.930 18281 1652 1 2 . 1 1 155 155 HIS H H 155 7.430 7.430 7.571 -0.141 18281 1653 1 3 . 1 1 3 3 VAL N N 3 119.910 119.910 121.300 -1.390 18281 1654 1 3 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.169 0.751 18281 1655 1 3 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.383 -0.363 18281 1656 1 3 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.187 0.943 18281 1657 1 3 . 1 1 3 3 VAL H H 3 7.630 7.630 7.821 -0.191 18281 1658 1 3 . 1 1 4 4 TYR N N 4 119.930 119.930 124.973 -5.043 18281 1659 1 3 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.607 0.063 18281 1660 1 3 . 1 1 4 4 TYR C C 4 174.670 174.670 174.938 -0.268 18281 1661 1 3 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.523 0.947 18281 1662 1 3 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.327 0.943 18281 1663 1 3 . 1 1 4 4 TYR H H 4 8.660 8.660 8.605 0.055 18281 1664 1 3 . 1 1 5 5 THR N N 5 119.930 119.930 119.062 0.868 18281 1665 1 3 . 1 1 5 5 THR HA H 5 5.290 5.290 4.900 0.390 18281 1666 1 3 . 1 1 5 5 THR C C 5 173.180 173.180 173.374 -0.194 18281 1667 1 3 . 1 1 5 5 THR CA C 5 61.780 61.780 61.473 0.307 18281 1668 1 3 . 1 1 5 5 THR CB C 5 70.360 70.360 69.897 0.463 18281 1669 1 3 . 1 1 5 5 THR H H 5 8.230 8.230 8.276 -0.046 18281 1670 1 3 . 1 1 6 6 TYR N N 6 125.060 125.060 125.199 -0.139 18281 1671 1 3 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.763 0.527 18281 1672 1 3 . 1 1 6 6 TYR C C 6 174.380 174.380 174.267 0.113 18281 1673 1 3 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.751 0.359 18281 1674 1 3 . 1 1 6 6 TYR CB C 6 41.850 41.850 40.938 0.912 18281 1675 1 3 . 1 1 6 6 TYR H H 6 9.210 9.210 8.450 0.760 18281 1676 1 3 . 1 1 7 7 GLU N N 7 122.360 122.360 123.671 -1.311 18281 1677 1 3 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.964 0.396 18281 1678 1 3 . 1 1 7 7 GLU C C 7 175.390 175.390 175.312 0.078 18281 1679 1 3 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.809 0.171 18281 1680 1 3 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.545 0.505 18281 1681 1 3 . 1 1 7 7 GLU H H 7 8.830 8.830 8.781 0.049 18281 1682 1 3 . 1 1 8 8 ASN N N 8 119.960 119.960 123.870 -3.910 18281 1683 1 3 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.063 0.037 18281 1684 1 3 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.353 0.267 18281 1685 1 3 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.493 1.716 18281 1686 1 3 . 1 1 8 8 ASN H H 8 8.800 8.800 8.867 -0.067 18281 1687 1 3 . 1 1 9 9 GLU N N 9 121.420 121.420 124.906 -3.486 18281 1688 1 3 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.843 0.757 18281 1689 1 3 . 1 1 9 9 GLU C C 9 174.590 174.590 175.014 -0.424 18281 1690 1 3 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.163 -0.393 18281 1691 1 3 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.550 1.200 18281 1692 1 3 . 1 1 9 9 GLU H H 9 8.330 8.330 8.735 -0.405 18281 1693 1 3 . 1 1 10 10 PHE N N 10 121.240 121.240 122.497 -1.257 18281 1694 1 3 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.750 0.270 18281 1695 1 3 . 1 1 10 10 PHE C C 10 173.880 173.880 173.161 0.719 18281 1696 1 3 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.713 -2.163 18281 1697 1 3 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.946 -1.476 18281 1698 1 3 . 1 1 10 10 PHE H H 10 8.760 8.760 8.342 0.418 18281 1699 1 3 . 1 1 11 11 THR N N 11 113.110 113.110 116.737 -3.627 18281 1700 1 3 . 1 1 11 11 THR HA H 11 5.170 5.170 4.944 0.226 18281 1701 1 3 . 1 1 11 11 THR C C 11 173.530 173.530 173.556 -0.026 18281 1702 1 3 . 1 1 11 11 THR CA C 11 60.940 60.940 60.559 0.380 18281 1703 1 3 . 1 1 11 11 THR CB C 11 71.260 71.260 70.811 0.449 18281 1704 1 3 . 1 1 11 11 THR H H 11 8.470 8.470 7.364 1.106 18281 1705 1 3 . 1 1 12 12 SER N N 12 115.490 115.490 118.965 -3.475 18281 1706 1 3 . 1 1 12 12 SER C C 12 173.530 173.530 172.727 0.803 18281 1707 1 3 . 1 1 12 12 SER CA C 12 56.460 56.460 57.704 -1.244 18281 1708 1 3 . 1 1 12 12 SER CB C 12 66.320 66.320 67.264 -0.944 18281 1709 1 3 . 1 1 12 12 SER H H 12 8.870 8.870 8.984 -0.114 18281 1710 1 3 . 1 1 13 13 ASP N N 13 126.650 126.650 122.046 4.604 18281 1711 1 3 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.652 0.088 18281 1712 1 3 . 1 1 13 13 ASP C C 13 174.520 174.520 176.201 -1.681 18281 1713 1 3 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.935 1.095 18281 1714 1 3 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.742 -0.742 18281 1715 1 3 . 1 1 13 13 ASP H H 13 9.060 9.060 9.158 -0.098 18281 1716 1 3 . 1 1 14 14 ILE N N 14 123.580 123.580 116.436 7.144 18281 1717 1 3 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.872 0.478 18281 1718 1 3 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.297 -3.908 18281 1719 1 3 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.319 0.021 18281 1720 1 3 . 1 1 14 14 ILE H H 14 8.470 8.470 8.202 0.268 18281 1721 1 3 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.514 -0.074 18281 1722 1 3 . 1 1 15 15 PRO C C 15 177.130 177.130 177.671 -0.541 18281 1723 1 3 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.226 0.844 18281 1724 1 3 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.765 0.685 18281 1725 1 3 . 1 1 16 16 ALA N N 16 126.780 126.780 125.985 0.795 18281 1726 1 3 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.995 0.005 18281 1727 1 3 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.085 0.015 18281 1728 1 3 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.083 0.217 18281 1729 1 3 . 1 1 16 16 ALA H H 16 8.570 8.570 8.508 0.062 18281 1730 1 3 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.406 -0.506 18281 1731 1 3 . 1 1 17 17 PRO C C 17 179.610 179.610 179.031 0.579 18281 1732 1 3 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.507 0.503 18281 1733 1 3 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.339 -0.439 18281 1734 1 3 . 1 1 18 18 LYS N N 18 116.630 116.630 118.564 -1.934 18281 1735 1 3 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.178 -0.038 18281 1736 1 3 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.607 -0.337 18281 1737 1 3 . 1 1 18 18 LYS CB C 18 32.320 32.320 32.000 0.320 18281 1738 1 3 . 1 1 18 18 LYS H H 18 6.710 6.710 7.490 -0.780 18281 1739 1 3 . 1 1 19 19 LEU N N 19 118.930 118.930 120.553 -1.623 18281 1740 1 3 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.173 -0.333 18281 1741 1 3 . 1 1 19 19 LEU C C 19 178.380 178.380 178.056 0.324 18281 1742 1 3 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.438 -0.008 18281 1743 1 3 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.291 -0.201 18281 1744 1 3 . 1 1 19 19 LEU H H 19 7.950 7.950 8.203 -0.253 18281 1745 1 3 . 1 1 20 20 PHE N N 20 118.660 118.660 120.455 -1.795 18281 1746 1 3 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.215 -0.365 18281 1747 1 3 . 1 1 20 20 PHE C C 20 177.680 177.680 177.097 0.583 18281 1748 1 3 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.033 0.847 18281 1749 1 3 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.301 0.119 18281 1750 1 3 . 1 1 20 20 PHE H H 20 9.040 9.040 8.543 0.497 18281 1751 1 3 . 1 1 21 21 LYS N N 21 118.430 118.430 118.413 0.017 18281 1752 1 3 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.994 -0.224 18281 1753 1 3 . 1 1 21 21 LYS C C 21 176.400 176.400 178.629 -2.229 18281 1754 1 3 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.922 0.238 18281 1755 1 3 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.358 0.642 18281 1756 1 3 . 1 1 21 21 LYS H H 21 7.630 7.630 8.160 -0.530 18281 1757 1 3 . 1 1 22 22 ALA N N 22 118.710 118.710 121.533 -2.823 18281 1758 1 3 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.372 0.398 18281 1759 1 3 . 1 1 22 22 ALA C C 22 175.450 175.450 177.929 -2.479 18281 1760 1 3 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.187 1.353 18281 1761 1 3 . 1 1 22 22 ALA CB C 22 20.200 20.200 19.006 1.194 18281 1762 1 3 . 1 1 22 22 ALA H H 22 7.390 7.390 7.426 -0.036 18281 1763 1 3 . 1 1 23 23 PHE N N 23 109.720 109.720 116.936 -7.216 18281 1764 1 3 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.186 0.054 18281 1765 1 3 . 1 1 23 23 PHE C C 23 174.130 174.130 174.739 -0.609 18281 1766 1 3 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.052 -1.732 18281 1767 1 3 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.773 0.667 18281 1768 1 3 . 1 1 23 23 PHE H H 23 8.400 8.400 8.196 0.204 18281 1769 1 3 . 1 1 24 24 VAL N N 24 113.250 113.250 115.029 -1.779 18281 1770 1 3 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.377 -0.057 18281 1771 1 3 . 1 1 24 24 VAL C C 24 177.660 177.660 177.164 0.496 18281 1772 1 3 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.898 0.602 18281 1773 1 3 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.191 -1.311 18281 1774 1 3 . 1 1 24 24 VAL H H 24 7.220 7.220 7.172 0.048 18281 1775 1 3 . 1 1 25 25 LEU N N 25 116.250 116.250 122.407 -6.157 18281 1776 1 3 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.019 -0.129 18281 1777 1 3 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.830 0.080 18281 1778 1 3 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.208 -1.208 18281 1779 1 3 . 1 1 25 25 LEU H H 25 7.180 7.180 7.794 -0.614 18281 1780 1 3 . 1 1 26 26 ASP N N 26 117.160 117.160 117.517 -0.357 18281 1781 1 3 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.619 0.681 18281 1782 1 3 . 1 1 26 26 ASP C C 26 177.300 177.300 176.606 0.694 18281 1783 1 3 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.606 -1.436 18281 1784 1 3 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.863 3.057 18281 1785 1 3 . 1 1 26 26 ASP H H 26 8.070 8.070 7.858 0.212 18281 1786 1 3 . 1 1 27 27 ALA N N 27 123.040 123.040 122.525 0.515 18281 1787 1 3 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.721 0.039 18281 1788 1 3 . 1 1 27 27 ALA C C 27 178.900 178.900 178.719 0.181 18281 1789 1 3 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.820 1.220 18281 1790 1 3 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.420 1.010 18281 1791 1 3 . 1 1 27 27 ALA H H 27 6.360 6.360 7.514 -1.154 18281 1792 1 3 . 1 1 28 28 ASP N N 28 115.060 115.060 117.811 -2.751 18281 1793 1 3 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.225 -0.245 18281 1794 1 3 . 1 1 28 28 ASP C C 28 175.850 175.850 176.714 -0.864 18281 1795 1 3 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.965 -1.425 18281 1796 1 3 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.317 -0.677 18281 1797 1 3 . 1 1 28 28 ASP H H 28 8.290 8.290 8.235 0.055 18281 1798 1 3 . 1 1 29 29 ASN N N 29 113.110 113.110 115.269 -2.159 18281 1799 1 3 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.603 0.127 18281 1800 1 3 . 1 1 29 29 ASN C C 29 176.430 176.430 177.045 -0.615 18281 1801 1 3 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.853 -1.243 18281 1802 1 3 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.204 1.056 18281 1803 1 3 . 1 1 29 29 ASN H H 29 7.360 7.360 7.676 -0.316 18281 1804 1 3 . 1 1 30 30 LEU N N 30 120.630 120.630 122.053 -1.423 18281 1805 1 3 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.699 0.321 18281 1806 1 3 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.966 -0.166 18281 1807 1 3 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.596 1.184 18281 1808 1 3 . 1 1 30 30 LEU H H 30 8.320 8.320 8.539 -0.219 18281 1809 1 3 . 1 1 31 31 ILE N N 31 116.170 116.170 119.107 -2.937 18281 1810 1 3 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.560 0.090 18281 1811 1 3 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.314 -0.514 18281 1812 1 3 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.216 -1.306 18281 1813 1 3 . 1 1 31 31 ILE H H 31 8.140 8.140 7.322 0.818 18281 1814 1 3 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.209 0.311 18281 1815 1 3 . 1 1 32 32 PRO C C 32 177.680 177.680 177.848 -0.168 18281 1816 1 3 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.518 1.002 18281 1817 1 3 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.250 0.270 18281 1818 1 3 . 1 1 33 33 LYS N N 33 112.410 112.410 118.760 -6.350 18281 1819 1 3 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.050 0.100 18281 1820 1 3 . 1 1 33 33 LYS C C 33 178.220 178.220 178.547 -0.327 18281 1821 1 3 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.260 0.030 18281 1822 1 3 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.107 0.803 18281 1823 1 3 . 1 1 33 33 LYS H H 33 6.880 6.880 7.732 -0.852 18281 1824 1 3 . 1 1 34 34 ILE N N 34 112.260 112.260 116.706 -4.446 18281 1825 1 3 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.925 0.395 18281 1826 1 3 . 1 1 34 34 ILE C C 34 175.920 175.920 176.405 -0.485 18281 1827 1 3 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.611 -1.791 18281 1828 1 3 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.415 0.935 18281 1829 1 3 . 1 1 34 34 ILE H H 34 7.560 7.560 7.512 0.048 18281 1830 1 3 . 1 1 35 35 ALA N N 35 124.420 124.420 121.340 3.080 18281 1831 1 3 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.871 0.099 18281 1832 1 3 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.339 1.021 18281 1833 1 3 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.255 0.005 18281 1834 1 3 . 1 1 35 35 ALA H H 35 8.820 8.820 7.394 1.426 18281 1835 1 3 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.301 0.429 18281 1836 1 3 . 1 1 36 36 PRO C C 36 177.890 177.890 177.519 0.371 18281 1837 1 3 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.783 -0.543 18281 1838 1 3 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.299 -0.619 18281 1839 1 3 . 1 1 37 37 GLN N N 37 115.580 115.580 117.569 -1.989 18281 1840 1 3 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.068 0.182 18281 1841 1 3 . 1 1 37 37 GLN C C 37 177.740 177.740 177.482 0.258 18281 1842 1 3 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.088 -0.778 18281 1843 1 3 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.224 -0.704 18281 1844 1 3 . 1 1 37 37 GLN H H 37 8.660 8.660 8.519 0.141 18281 1845 1 3 . 1 1 38 38 ALA N N 38 123.250 123.250 120.087 3.163 18281 1846 1 3 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.334 0.056 18281 1847 1 3 . 1 1 38 38 ALA C C 38 177.850 177.850 177.479 0.371 18281 1848 1 3 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.814 -0.314 18281 1849 1 3 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.043 0.787 18281 1850 1 3 . 1 1 38 38 ALA H H 38 8.030 8.030 8.166 -0.136 18281 1851 1 3 . 1 1 39 39 VAL N N 39 117.330 117.330 110.390 6.940 18281 1852 1 3 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.440 -0.310 18281 1853 1 3 . 1 1 39 39 VAL C C 39 172.750 172.750 175.096 -2.346 18281 1854 1 3 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.435 2.015 18281 1855 1 3 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.525 -1.895 18281 1856 1 3 . 1 1 39 39 VAL H H 39 7.660 7.660 7.249 0.411 18281 1857 1 3 . 1 1 40 40 LYS N N 40 125.270 125.270 122.396 2.874 18281 1858 1 3 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.182 0.278 18281 1859 1 3 . 1 1 40 40 LYS C C 40 177.240 177.240 176.745 0.495 18281 1860 1 3 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.703 -1.253 18281 1861 1 3 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.409 0.591 18281 1862 1 3 . 1 1 40 40 LYS H H 40 8.910 8.910 8.698 0.212 18281 1863 1 3 . 1 1 41 41 CYS N N 41 112.210 112.210 115.246 -3.036 18281 1864 1 3 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.348 0.212 18281 1865 1 3 . 1 1 41 41 CYS C C 41 170.900 170.900 172.414 -1.514 18281 1866 1 3 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.411 -2.391 18281 1867 1 3 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.073 -0.273 18281 1868 1 3 . 1 1 41 41 CYS H H 41 7.680 7.680 7.815 -0.135 18281 1869 1 3 . 1 1 42 42 ALA N N 42 125.620 125.620 128.273 -2.653 18281 1870 1 3 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.645 0.575 18281 1871 1 3 . 1 1 42 42 ALA C C 42 175.690 175.690 176.467 -0.777 18281 1872 1 3 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.502 -0.522 18281 1873 1 3 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.594 2.406 18281 1874 1 3 . 1 1 42 42 ALA H H 42 8.700 8.700 8.546 0.154 18281 1875 1 3 . 1 1 43 43 GLU N N 43 120.730 120.730 123.225 -2.495 18281 1876 1 3 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.720 -0.060 18281 1877 1 3 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.307 0.063 18281 1878 1 3 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.148 0.972 18281 1879 1 3 . 1 1 43 43 GLU H H 43 8.810 8.810 8.319 0.491 18281 1880 1 3 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.553 -0.513 18281 1881 1 3 . 1 1 44 44 ILE C C 44 176.190 176.190 176.240 -0.050 18281 1882 1 3 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.568 1.422 18281 1883 1 3 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.540 -0.760 18281 1884 1 3 . 1 1 45 45 LEU N N 45 129.030 129.030 129.528 -0.498 18281 1885 1 3 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.185 0.265 18281 1886 1 3 . 1 1 45 45 LEU C C 45 177.270 177.270 176.695 0.575 18281 1887 1 3 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.772 -0.762 18281 1888 1 3 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.914 -0.434 18281 1889 1 3 . 1 1 45 45 LEU H H 45 9.090 9.090 8.567 0.523 18281 1890 1 3 . 1 1 46 46 GLU N N 46 116.640 116.640 113.896 2.744 18281 1891 1 3 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.505 0.105 18281 1892 1 3 . 1 1 46 46 GLU C C 46 174.840 174.840 175.702 -0.862 18281 1893 1 3 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.548 0.062 18281 1894 1 3 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.086 0.484 18281 1895 1 3 . 1 1 46 46 GLU H H 46 7.700 7.700 7.524 0.176 18281 1896 1 3 . 1 1 47 47 GLY N N 47 110.230 110.230 110.433 -0.203 18281 1897 1 3 . 1 1 47 47 GLY C C 47 173.630 173.630 173.798 -0.168 18281 1898 1 3 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.589 -0.909 18281 1899 1 3 . 1 1 47 47 GLY H H 47 8.620 8.620 8.714 -0.094 18281 1900 1 3 . 1 1 48 48 ASP N N 48 115.220 115.220 120.807 -5.587 18281 1901 1 3 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.355 0.415 18281 1902 1 3 . 1 1 48 48 ASP C C 48 177.340 177.340 175.986 1.354 18281 1903 1 3 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.806 -1.886 18281 1904 1 3 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.304 2.376 18281 1905 1 3 . 1 1 48 48 ASP H H 48 7.960 7.960 8.442 -0.482 18281 1906 1 3 . 1 1 49 49 GLY N N 49 110.900 110.900 103.194 7.706 18281 1907 1 3 . 1 1 49 49 GLY C C 49 174.750 174.750 173.777 0.973 18281 1908 1 3 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.255 0.055 18281 1909 1 3 . 1 1 49 49 GLY H H 49 8.750 8.750 8.528 0.222 18281 1910 1 3 . 1 1 50 50 GLY N N 50 107.020 107.020 107.274 -0.254 18281 1911 1 3 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.816 0.784 18281 1912 1 3 . 1 1 50 50 GLY H H 50 8.300 8.300 8.212 0.088 18281 1913 1 3 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.215 -0.255 18281 1914 1 3 . 1 1 51 51 PRO C C 51 176.780 176.780 177.726 -0.946 18281 1915 1 3 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.395 1.605 18281 1916 1 3 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.619 0.251 18281 1917 1 3 . 1 1 52 52 GLY N N 52 114.320 114.320 114.240 0.080 18281 1918 1 3 . 1 1 52 52 GLY C C 52 174.170 174.170 174.244 -0.074 18281 1919 1 3 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.608 -0.928 18281 1920 1 3 . 1 1 52 52 GLY H H 52 9.240 9.240 8.673 0.567 18281 1921 1 3 . 1 1 53 53 THR N N 53 118.900 118.900 116.052 2.848 18281 1922 1 3 . 1 1 53 53 THR HA H 53 4.660 4.660 4.519 0.141 18281 1923 1 3 . 1 1 53 53 THR C C 53 173.510 173.510 174.312 -0.802 18281 1924 1 3 . 1 1 53 53 THR CA C 53 64.580 64.580 63.233 1.347 18281 1925 1 3 . 1 1 53 53 THR CB C 53 70.070 70.070 69.854 0.216 18281 1926 1 3 . 1 1 53 53 THR H H 53 7.910 7.910 7.412 0.498 18281 1927 1 3 . 1 1 54 54 ILE N N 54 124.830 124.830 125.424 -0.594 18281 1928 1 3 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.451 0.859 18281 1929 1 3 . 1 1 54 54 ILE C C 54 175.260 175.260 174.937 0.323 18281 1930 1 3 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.694 -0.824 18281 1931 1 3 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.669 -0.219 18281 1932 1 3 . 1 1 54 54 ILE H H 54 8.550 8.550 8.571 -0.021 18281 1933 1 3 . 1 1 55 55 LYS N N 55 126.970 126.970 125.747 1.223 18281 1934 1 3 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.190 0.110 18281 1935 1 3 . 1 1 55 55 LYS C C 55 173.950 173.950 175.390 -1.440 18281 1936 1 3 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.382 -0.552 18281 1937 1 3 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.269 0.461 18281 1938 1 3 . 1 1 55 55 LYS H H 55 9.400 9.400 9.093 0.307 18281 1939 1 3 . 1 1 56 56 LYS N N 56 124.220 124.220 123.837 0.383 18281 1940 1 3 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.708 0.572 18281 1941 1 3 . 1 1 56 56 LYS C C 56 175.230 175.230 174.304 0.926 18281 1942 1 3 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.882 -1.091 18281 1943 1 3 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.717 0.343 18281 1944 1 3 . 1 1 56 56 LYS H H 56 9.360 9.360 9.026 0.334 18281 1945 1 3 . 1 1 57 57 ILE N N 57 132.380 132.380 127.431 4.949 18281 1946 1 3 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.447 0.193 18281 1947 1 3 . 1 1 57 57 ILE C C 57 174.840 174.840 174.649 0.191 18281 1948 1 3 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.857 0.623 18281 1949 1 3 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.166 -1.896 18281 1950 1 3 . 1 1 57 57 ILE H H 57 9.240 9.240 8.954 0.286 18281 1951 1 3 . 1 1 58 58 THR N N 58 122.310 122.310 116.200 6.110 18281 1952 1 3 . 1 1 58 58 THR HA H 58 5.180 5.180 4.642 0.538 18281 1953 1 3 . 1 1 58 58 THR C C 58 174.260 174.260 173.399 0.861 18281 1954 1 3 . 1 1 58 58 THR CA C 58 61.720 61.720 60.329 1.391 18281 1955 1 3 . 1 1 58 58 THR CB C 58 70.640 70.640 70.734 -0.094 18281 1956 1 3 . 1 1 58 58 THR H H 58 8.720 8.720 8.056 0.664 18281 1957 1 3 . 1 1 59 59 PHE N N 59 124.570 124.570 122.529 2.041 18281 1958 1 3 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.775 0.245 18281 1959 1 3 . 1 1 59 59 PHE C C 59 174.510 174.510 175.935 -1.425 18281 1960 1 3 . 1 1 59 59 PHE CA C 59 56.450 56.450 56.880 -0.430 18281 1961 1 3 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.824 -0.814 18281 1962 1 3 . 1 1 59 59 PHE H H 59 8.570 8.570 9.148 -0.578 18281 1963 1 3 . 1 1 60 60 GLY N N 60 104.600 104.600 110.578 -5.978 18281 1964 1 3 . 1 1 60 60 GLY C C 60 173.500 173.500 174.344 -0.844 18281 1965 1 3 . 1 1 60 60 GLY CA C 60 44.830 44.830 45.545 -0.715 18281 1966 1 3 . 1 1 60 60 GLY H H 60 7.800 7.800 9.000 -1.200 18281 1967 1 3 . 1 1 61 61 GLU N N 61 119.400 119.400 121.214 -1.814 18281 1968 1 3 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.130 -0.020 18281 1969 1 3 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.259 -1.459 18281 1970 1 3 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.098 0.842 18281 1971 1 3 . 1 1 61 61 GLU H H 61 8.290 8.290 8.501 -0.211 18281 1972 1 3 . 1 1 62 62 GLY N N 62 110.940 110.940 106.929 4.011 18281 1973 1 3 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.127 1.073 18281 1974 1 3 . 1 1 62 62 GLY H H 62 8.870 8.870 7.895 0.975 18281 1975 1 3 . 1 1 66 66 GLY C C 66 176.930 176.930 170.949 5.981 18281 1976 1 3 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.336 -0.256 18281 1977 1 3 . 1 1 67 67 TYR N N 67 115.490 115.490 116.174 -0.684 18281 1978 1 3 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.433 0.147 18281 1979 1 3 . 1 1 67 67 TYR C C 67 175.470 175.470 173.690 1.780 18281 1980 1 3 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.494 -0.574 18281 1981 1 3 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.991 -0.271 18281 1982 1 3 . 1 1 67 67 TYR H H 67 8.110 8.110 8.222 -0.112 18281 1983 1 3 . 1 1 68 68 VAL N N 68 111.980 111.980 116.834 -4.854 18281 1984 1 3 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.910 0.110 18281 1985 1 3 . 1 1 68 68 VAL C C 68 175.480 175.480 174.637 0.843 18281 1986 1 3 . 1 1 68 68 VAL CA C 68 59.500 59.500 59.520 -0.020 18281 1987 1 3 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.890 0.570 18281 1988 1 3 . 1 1 68 68 VAL H H 68 8.840 8.840 8.736 0.104 18281 1989 1 3 . 1 1 69 69 LYS N N 69 118.430 118.430 123.265 -4.835 18281 1990 1 3 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.003 0.697 18281 1991 1 3 . 1 1 69 69 LYS C C 69 175.740 175.740 175.515 0.225 18281 1992 1 3 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.751 0.619 18281 1993 1 3 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.752 0.828 18281 1994 1 3 . 1 1 69 69 LYS H H 69 8.590 8.590 9.117 -0.527 18281 1995 1 3 . 1 1 70 70 HIS N N 70 122.590 122.590 120.682 1.908 18281 1996 1 3 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.242 0.948 18281 1997 1 3 . 1 1 70 70 HIS C C 70 174.590 174.590 173.658 0.932 18281 1998 1 3 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.901 -4.061 18281 1999 1 3 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.352 2.659 18281 2000 1 3 . 1 1 70 70 HIS H H 70 9.160 9.160 8.488 0.672 18281 2001 1 3 . 1 1 71 71 LYS N N 71 122.760 122.760 121.863 0.897 18281 2002 1 3 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.446 0.044 18281 2003 1 3 . 1 1 71 71 LYS C C 71 175.500 175.500 174.678 0.822 18281 2004 1 3 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.198 -0.158 18281 2005 1 3 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.746 -0.876 18281 2006 1 3 . 1 1 71 71 LYS H H 71 9.460 9.460 9.418 0.042 18281 2007 1 3 . 1 1 72 72 ILE N N 72 127.870 127.870 125.924 1.946 18281 2008 1 3 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.312 -0.432 18281 2009 1 3 . 1 1 72 72 ILE C C 72 175.430 175.430 175.913 -0.483 18281 2010 1 3 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.645 1.755 18281 2011 1 3 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.482 -1.442 18281 2012 1 3 . 1 1 72 72 ILE H H 72 9.320 9.320 8.451 0.869 18281 2013 1 3 . 1 1 73 73 HIS N N 73 127.690 127.690 126.701 0.989 18281 2014 1 3 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.626 0.494 18281 2015 1 3 . 1 1 73 73 HIS C C 73 176.240 176.240 175.324 0.916 18281 2016 1 3 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.861 -0.891 18281 2017 1 3 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.649 0.291 18281 2018 1 3 . 1 1 73 73 HIS H H 73 9.080 9.080 8.384 0.696 18281 2019 1 3 . 1 1 74 74 SER N N 74 110.900 110.900 112.691 -1.791 18281 2020 1 3 . 1 1 74 74 SER HA H 74 4.760 4.760 4.624 0.136 18281 2021 1 3 . 1 1 74 74 SER C C 74 172.620 172.620 171.968 0.652 18281 2022 1 3 . 1 1 74 74 SER CA C 74 57.880 57.880 57.932 -0.052 18281 2023 1 3 . 1 1 74 74 SER CB C 74 66.790 66.790 65.750 1.040 18281 2024 1 3 . 1 1 74 74 SER H H 74 8.180 8.180 7.713 0.467 18281 2025 1 3 . 1 1 75 75 ILE N N 75 123.780 123.780 116.040 7.740 18281 2026 1 3 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.917 -0.237 18281 2027 1 3 . 1 1 75 75 ILE C C 75 174.010 174.010 174.488 -0.478 18281 2028 1 3 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.761 2.379 18281 2029 1 3 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.127 -0.817 18281 2030 1 3 . 1 1 75 75 ILE H H 75 8.730 8.730 8.363 0.367 18281 2031 1 3 . 1 1 76 76 ASP N N 76 127.280 127.280 126.038 1.242 18281 2032 1 3 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.036 0.044 18281 2033 1 3 . 1 1 76 76 ASP C C 76 176.680 176.680 175.947 0.733 18281 2034 1 3 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.279 -1.149 18281 2035 1 3 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.597 -0.048 18281 2036 1 3 . 1 1 76 76 ASP H H 76 9.110 9.110 8.992 0.118 18281 2037 1 3 . 1 1 77 77 LYS N N 77 122.400 122.400 123.370 -0.970 18281 2038 1 3 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.652 0.328 18281 2039 1 3 . 1 1 77 77 LYS C C 77 175.980 175.980 177.956 -1.976 18281 2040 1 3 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.644 -2.224 18281 2041 1 3 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.439 0.341 18281 2042 1 3 . 1 1 77 77 LYS H H 77 8.890 8.890 8.647 0.243 18281 2043 1 3 . 1 1 78 78 VAL N N 78 119.300 119.300 117.957 1.343 18281 2044 1 3 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.542 0.118 18281 2045 1 3 . 1 1 78 78 VAL C C 78 176.290 176.290 176.217 0.073 18281 2046 1 3 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.647 -0.227 18281 2047 1 3 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.579 0.521 18281 2048 1 3 . 1 1 78 78 VAL H H 78 8.110 8.110 7.972 0.138 18281 2049 1 3 . 1 1 79 79 ASN N N 79 114.400 114.400 116.259 -1.859 18281 2050 1 3 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.680 -0.200 18281 2051 1 3 . 1 1 79 79 ASN C C 79 173.670 173.670 174.393 -0.723 18281 2052 1 3 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.870 -0.329 18281 2053 1 3 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.799 1.291 18281 2054 1 3 . 1 1 79 79 ASN H H 79 7.700 7.700 8.039 -0.339 18281 2055 1 3 . 1 1 80 80 HIS N N 80 115.530 115.530 114.927 0.603 18281 2056 1 3 . 1 1 80 80 HIS C C 80 173.450 173.450 173.410 0.040 18281 2057 1 3 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.683 -0.153 18281 2058 1 3 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.740 0.460 18281 2059 1 3 . 1 1 80 80 HIS H H 80 6.980 6.980 6.920 0.060 18281 2060 1 3 . 1 1 81 81 THR N N 81 109.600 109.600 113.683 -4.083 18281 2061 1 3 . 1 1 81 81 THR HA H 81 5.730 5.730 4.981 0.749 18281 2062 1 3 . 1 1 81 81 THR C C 81 172.980 172.980 172.873 0.107 18281 2063 1 3 . 1 1 81 81 THR CA C 81 60.190 60.190 62.112 -1.922 18281 2064 1 3 . 1 1 81 81 THR CB C 81 71.740 71.740 71.645 0.095 18281 2065 1 3 . 1 1 81 81 THR H H 81 7.990 7.990 7.749 0.241 18281 2066 1 3 . 1 1 82 82 TYR N N 82 125.000 125.000 128.496 -3.496 18281 2067 1 3 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.067 0.633 18281 2068 1 3 . 1 1 82 82 TYR C C 82 173.600 173.600 173.076 0.524 18281 2069 1 3 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.093 -1.763 18281 2070 1 3 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.603 0.207 18281 2071 1 3 . 1 1 82 82 TYR H H 82 9.300 9.300 9.670 -0.370 18281 2072 1 3 . 1 1 83 83 SER N N 83 121.820 121.820 122.349 -0.529 18281 2073 1 3 . 1 1 83 83 SER HA H 83 5.670 5.670 5.049 0.621 18281 2074 1 3 . 1 1 83 83 SER C C 83 173.490 173.490 172.743 0.747 18281 2075 1 3 . 1 1 83 83 SER CA C 83 56.420 56.420 56.348 0.072 18281 2076 1 3 . 1 1 83 83 SER CB C 83 65.520 65.520 65.160 0.360 18281 2077 1 3 . 1 1 83 83 SER H H 83 9.090 9.090 8.005 1.085 18281 2078 1 3 . 1 1 84 84 TYR N N 84 122.970 122.970 123.629 -0.659 18281 2079 1 3 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.364 -0.134 18281 2080 1 3 . 1 1 84 84 TYR C C 84 172.530 172.530 173.187 -0.657 18281 2081 1 3 . 1 1 84 84 TYR CA C 84 56.420 56.420 55.901 0.519 18281 2082 1 3 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.927 -0.977 18281 2083 1 3 . 1 1 84 84 TYR H H 84 8.790 8.790 9.107 -0.317 18281 2084 1 3 . 1 1 85 85 SER N N 85 114.200 114.200 113.985 0.215 18281 2085 1 3 . 1 1 85 85 SER HA H 85 5.700 5.700 5.218 0.482 18281 2086 1 3 . 1 1 85 85 SER C C 85 173.180 173.180 172.624 0.556 18281 2087 1 3 . 1 1 85 85 SER CA C 85 57.510 57.510 57.253 0.257 18281 2088 1 3 . 1 1 85 85 SER CB C 85 65.940 65.940 67.139 -1.199 18281 2089 1 3 . 1 1 85 85 SER H H 85 9.350 9.350 9.563 -0.213 18281 2090 1 3 . 1 1 86 86 LEU N N 86 128.880 128.880 123.914 4.966 18281 2091 1 3 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.584 0.646 18281 2092 1 3 . 1 1 86 86 LEU C C 86 176.230 176.230 176.559 -0.329 18281 2093 1 3 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.487 1.103 18281 2094 1 3 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.871 0.279 18281 2095 1 3 . 1 1 86 86 LEU H H 86 9.900 9.900 8.950 0.950 18281 2096 1 3 . 1 1 87 87 ILE N N 87 115.900 115.900 126.195 -10.295 18281 2097 1 3 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.146 0.784 18281 2098 1 3 . 1 1 87 87 ILE C C 87 176.080 176.080 176.385 -0.305 18281 2099 1 3 . 1 1 87 87 ILE CA C 87 61.270 61.270 61.263 0.007 18281 2100 1 3 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.217 1.613 18281 2101 1 3 . 1 1 87 87 ILE H H 87 8.180 8.180 8.881 -0.701 18281 2102 1 3 . 1 1 88 88 GLU N N 88 121.920 121.920 118.381 3.539 18281 2103 1 3 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.518 -0.008 18281 2104 1 3 . 1 1 88 88 GLU C C 88 174.020 174.020 175.178 -1.158 18281 2105 1 3 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.121 1.919 18281 2106 1 3 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.675 2.295 18281 2107 1 3 . 1 1 88 88 GLU H H 88 7.650 7.650 7.822 -0.172 18281 2108 1 3 . 1 1 89 89 GLY N N 89 111.650 111.650 108.936 2.714 18281 2109 1 3 . 1 1 89 89 GLY C C 89 173.800 173.800 174.487 -0.687 18281 2110 1 3 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.975 -0.025 18281 2111 1 3 . 1 1 89 89 GLY H H 89 8.830 8.830 8.303 0.527 18281 2112 1 3 . 1 1 90 90 ASP N N 90 119.650 119.650 126.703 -7.053 18281 2113 1 3 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.128 0.232 18281 2114 1 3 . 1 1 90 90 ASP C C 90 176.570 176.570 177.107 -0.537 18281 2115 1 3 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.646 -0.606 18281 2116 1 3 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.556 0.724 18281 2117 1 3 . 1 1 90 90 ASP H H 90 8.430 8.430 8.081 0.349 18281 2118 1 3 . 1 1 91 91 ALA N N 91 118.530 118.530 119.143 -0.613 18281 2119 1 3 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.122 0.118 18281 2120 1 3 . 1 1 91 91 ALA C C 91 177.740 177.740 178.344 -0.604 18281 2121 1 3 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.934 -0.724 18281 2122 1 3 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.459 0.851 18281 2123 1 3 . 1 1 91 91 ALA H H 91 7.810 7.810 8.079 -0.269 18281 2124 1 3 . 1 1 92 92 LEU N N 92 117.330 117.330 117.988 -0.658 18281 2125 1 3 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.300 0.160 18281 2126 1 3 . 1 1 92 92 LEU C C 92 176.210 176.210 176.864 -0.654 18281 2127 1 3 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.832 -1.812 18281 2128 1 3 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.443 -2.233 18281 2129 1 3 . 1 1 92 92 LEU H H 92 7.600 7.600 8.109 -0.509 18281 2130 1 3 . 1 1 93 93 SER N N 93 115.780 115.780 112.410 3.370 18281 2131 1 3 . 1 1 93 93 SER HA H 93 4.620 4.620 4.101 0.519 18281 2132 1 3 . 1 1 93 93 SER C C 93 173.970 173.970 175.392 -1.422 18281 2133 1 3 . 1 1 93 93 SER CA C 93 57.730 57.730 59.584 -1.854 18281 2134 1 3 . 1 1 93 93 SER CB C 93 64.920 64.920 63.073 1.847 18281 2135 1 3 . 1 1 93 93 SER H H 93 7.910 7.910 7.745 0.165 18281 2136 1 3 . 1 1 94 94 GLU N N 94 119.400 119.400 119.766 -0.366 18281 2137 1 3 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.196 -0.036 18281 2138 1 3 . 1 1 94 94 GLU C C 94 176.570 176.570 176.712 -0.142 18281 2139 1 3 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.293 0.407 18281 2140 1 3 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.470 -0.260 18281 2141 1 3 . 1 1 94 94 GLU H H 94 8.850 8.850 8.951 -0.101 18281 2142 1 3 . 1 1 95 95 ASN N N 95 113.460 113.460 115.146 -1.686 18281 2143 1 3 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.691 0.109 18281 2144 1 3 . 1 1 95 95 ASN C C 95 174.070 174.070 175.080 -1.010 18281 2145 1 3 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.719 -0.599 18281 2146 1 3 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.225 0.125 18281 2147 1 3 . 1 1 95 95 ASN H H 95 8.290 8.290 8.234 0.056 18281 2148 1 3 . 1 1 96 96 ILE N N 96 120.610 120.610 120.092 0.518 18281 2149 1 3 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.247 -0.057 18281 2150 1 3 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.096 -0.167 18281 2151 1 3 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.408 0.462 18281 2152 1 3 . 1 1 96 96 ILE H H 96 7.770 7.770 7.580 0.190 18281 2153 1 3 . 1 1 97 97 GLU N N 97 126.670 126.670 127.913 -1.243 18281 2154 1 3 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.445 0.345 18281 2155 1 3 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.117 1.083 18281 2156 1 3 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.459 2.491 18281 2157 1 3 . 1 1 97 97 GLU H H 97 8.460 8.460 8.778 -0.318 18281 2158 1 3 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.231 0.479 18281 2159 1 3 . 1 1 98 98 LYS C C 98 173.650 173.650 176.631 -2.981 18281 2160 1 3 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.765 -1.795 18281 2161 1 3 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.996 1.804 18281 2162 1 3 . 1 1 99 99 ILE N N 99 120.290 120.290 119.936 0.354 18281 2163 1 3 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.651 0.139 18281 2164 1 3 . 1 1 99 99 ILE C C 99 174.690 174.690 174.584 0.106 18281 2165 1 3 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.855 0.445 18281 2166 1 3 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.353 0.197 18281 2167 1 3 . 1 1 99 99 ILE H H 99 7.720 7.720 7.953 -0.233 18281 2168 1 3 . 1 1 100 100 ASP N N 100 126.970 126.970 126.295 0.675 18281 2169 1 3 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.913 0.187 18281 2170 1 3 . 1 1 100 100 ASP C C 100 174.490 174.490 174.839 -0.349 18281 2171 1 3 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.989 -0.359 18281 2172 1 3 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.898 0.952 18281 2173 1 3 . 1 1 100 100 ASP H H 100 9.220 9.220 8.358 0.862 18281 2174 1 3 . 1 1 101 101 TYR N N 101 120.640 120.640 122.665 -2.025 18281 2175 1 3 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.716 0.564 18281 2176 1 3 . 1 1 101 101 TYR C C 101 175.740 175.740 174.897 0.843 18281 2177 1 3 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.768 0.212 18281 2178 1 3 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.291 0.349 18281 2179 1 3 . 1 1 101 101 TYR H H 101 9.140 9.140 9.085 0.055 18281 2180 1 3 . 1 1 102 102 GLU N N 102 122.040 122.040 122.264 -0.224 18281 2181 1 3 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.736 0.394 18281 2182 1 3 . 1 1 102 102 GLU C C 102 175.360 175.360 175.473 -0.113 18281 2183 1 3 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.185 0.685 18281 2184 1 3 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.659 -0.589 18281 2185 1 3 . 1 1 102 102 GLU H H 102 8.670 8.670 9.243 -0.573 18281 2186 1 3 . 1 1 103 103 THR N N 103 125.840 125.840 120.081 5.759 18281 2187 1 3 . 1 1 103 103 THR HA H 103 5.580 5.580 4.946 0.634 18281 2188 1 3 . 1 1 103 103 THR C C 103 172.780 172.780 172.988 -0.208 18281 2189 1 3 . 1 1 103 103 THR CA C 103 62.150 62.150 61.425 0.725 18281 2190 1 3 . 1 1 103 103 THR CB C 103 71.750 71.750 71.392 0.358 18281 2191 1 3 . 1 1 103 103 THR H H 103 9.550 9.550 9.275 0.275 18281 2192 1 3 . 1 1 104 104 LYS N N 104 126.990 126.990 127.838 -0.848 18281 2193 1 3 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.841 0.399 18281 2194 1 3 . 1 1 104 104 LYS C C 104 174.300 174.300 173.901 0.399 18281 2195 1 3 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.338 -0.008 18281 2196 1 3 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.939 0.001 18281 2197 1 3 . 1 1 104 104 LYS H H 104 9.430 9.430 8.605 0.825 18281 2198 1 3 . 1 1 105 105 LEU N N 105 124.700 124.700 127.228 -2.528 18281 2199 1 3 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.694 0.516 18281 2200 1 3 . 1 1 105 105 LEU C C 105 175.780 175.780 176.175 -0.395 18281 2201 1 3 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.599 1.021 18281 2202 1 3 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.691 0.259 18281 2203 1 3 . 1 1 105 105 LEU H H 105 8.410 8.410 8.388 0.022 18281 2204 1 3 . 1 1 106 106 VAL N N 106 123.290 123.290 123.603 -0.313 18281 2205 1 3 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.358 0.072 18281 2206 1 3 . 1 1 106 106 VAL C C 106 175.560 175.560 174.630 0.930 18281 2207 1 3 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.346 0.124 18281 2208 1 3 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.431 -0.411 18281 2209 1 3 . 1 1 106 106 VAL H H 106 9.180 9.180 9.243 -0.063 18281 2210 1 3 . 1 1 107 107 SER N N 107 121.800 121.800 120.399 1.401 18281 2211 1 3 . 1 1 107 107 SER HA H 107 4.660 4.660 4.724 -0.064 18281 2212 1 3 . 1 1 107 107 SER C C 107 173.600 173.600 173.449 0.151 18281 2213 1 3 . 1 1 107 107 SER CA C 107 59.860 59.860 56.416 3.444 18281 2214 1 3 . 1 1 107 107 SER CB C 107 63.250 63.250 64.822 -1.572 18281 2215 1 3 . 1 1 107 107 SER H H 107 8.910 8.910 8.364 0.546 18281 2216 1 3 . 1 1 108 108 ALA N N 108 129.210 129.210 126.095 3.115 18281 2217 1 3 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.919 -0.289 18281 2218 1 3 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.928 0.692 18281 2219 1 3 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.748 0.051 18281 2220 1 3 . 1 1 108 108 ALA H H 108 8.310 8.310 8.360 -0.050 18281 2221 1 3 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.286 0.134 18281 2222 1 3 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.851 -1.151 18281 2223 1 3 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.506 0.694 18281 2224 1 3 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.484 0.286 18281 2225 1 3 . 1 1 110 110 HIS C C 110 175.760 175.760 175.868 -0.108 18281 2226 1 3 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.630 -1.240 18281 2227 1 3 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.325 -0.915 18281 2228 1 3 . 1 1 111 111 GLY N N 111 108.720 108.720 107.849 0.871 18281 2229 1 3 . 1 1 111 111 GLY C C 111 174.390 174.390 174.161 0.229 18281 2230 1 3 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.047 0.083 18281 2231 1 3 . 1 1 111 111 GLY H H 111 7.730 7.730 7.885 -0.155 18281 2232 1 3 . 1 1 112 112 GLY N N 112 107.670 107.670 108.890 -1.220 18281 2233 1 3 . 1 1 112 112 GLY C C 112 174.150 174.150 172.905 1.245 18281 2234 1 3 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.285 0.135 18281 2235 1 3 . 1 1 112 112 GLY H H 112 7.600 7.600 7.972 -0.372 18281 2236 1 3 . 1 1 113 113 THR N N 113 119.830 119.830 116.798 3.032 18281 2237 1 3 . 1 1 113 113 THR HA H 113 5.060 5.060 4.844 0.216 18281 2238 1 3 . 1 1 113 113 THR C C 113 173.250 173.250 173.476 -0.226 18281 2239 1 3 . 1 1 113 113 THR CA C 113 62.990 62.990 62.066 0.924 18281 2240 1 3 . 1 1 113 113 THR CB C 113 72.270 72.270 70.949 1.321 18281 2241 1 3 . 1 1 113 113 THR H H 113 9.070 9.070 8.084 0.986 18281 2242 1 3 . 1 1 114 114 ILE N N 114 127.600 127.600 127.269 0.331 18281 2243 1 3 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.565 -0.055 18281 2244 1 3 . 1 1 114 114 ILE C C 114 174.370 174.370 174.458 -0.088 18281 2245 1 3 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.730 0.430 18281 2246 1 3 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.992 -0.022 18281 2247 1 3 . 1 1 114 114 ILE H H 114 9.490 9.490 9.252 0.238 18281 2248 1 3 . 1 1 115 115 ILE N N 115 129.200 129.200 126.677 2.523 18281 2249 1 3 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.776 -0.276 18281 2250 1 3 . 1 1 115 115 ILE C C 115 175.000 175.000 174.701 0.299 18281 2251 1 3 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.319 1.081 18281 2252 1 3 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.443 -2.443 18281 2253 1 3 . 1 1 115 115 ILE H H 115 9.220 9.220 9.349 -0.129 18281 2254 1 3 . 1 1 116 116 LYS N N 116 127.550 127.550 127.739 -0.189 18281 2255 1 3 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.539 -0.369 18281 2256 1 3 . 1 1 116 116 LYS C C 116 176.300 176.300 175.746 0.554 18281 2257 1 3 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.488 0.882 18281 2258 1 3 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.875 -1.295 18281 2259 1 3 . 1 1 116 116 LYS H H 116 9.130 9.130 8.505 0.625 18281 2260 1 3 . 1 1 117 117 THR N N 117 120.940 120.940 121.064 -0.124 18281 2261 1 3 . 1 1 117 117 THR HA H 117 5.730 5.730 5.196 0.534 18281 2262 1 3 . 1 1 117 117 THR C C 117 174.620 174.620 173.421 1.199 18281 2263 1 3 . 1 1 117 117 THR CA C 117 60.990 60.990 61.323 -0.333 18281 2264 1 3 . 1 1 117 117 THR CB C 117 71.750 71.750 71.538 0.212 18281 2265 1 3 . 1 1 117 117 THR H H 117 9.020 9.020 8.832 0.188 18281 2266 1 3 . 1 1 118 118 THR N N 118 125.750 125.750 122.674 3.076 18281 2267 1 3 . 1 1 118 118 THR HA H 118 5.170 5.170 5.636 -0.466 18281 2268 1 3 . 1 1 118 118 THR C C 118 173.760 173.760 173.362 0.398 18281 2269 1 3 . 1 1 118 118 THR CA C 118 61.800 61.800 60.962 0.839 18281 2270 1 3 . 1 1 118 118 THR CB C 118 70.720 70.720 71.265 -0.545 18281 2271 1 3 . 1 1 118 118 THR H H 118 9.500 9.500 8.688 0.812 18281 2272 1 3 . 1 1 119 119 SER N N 119 122.250 122.250 119.317 2.933 18281 2273 1 3 . 1 1 119 119 SER HA H 119 5.270 5.270 5.335 -0.065 18281 2274 1 3 . 1 1 119 119 SER C C 119 172.960 172.960 172.741 0.219 18281 2275 1 3 . 1 1 119 119 SER CA C 119 55.860 55.860 56.292 -0.432 18281 2276 1 3 . 1 1 119 119 SER CB C 119 66.720 66.720 66.186 0.534 18281 2277 1 3 . 1 1 119 119 SER H H 119 9.410 9.410 8.688 0.722 18281 2278 1 3 . 1 1 120 120 LYS N N 120 124.120 124.120 120.953 3.167 18281 2279 1 3 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.862 0.378 18281 2280 1 3 . 1 1 120 120 LYS C C 120 174.780 174.780 174.591 0.189 18281 2281 1 3 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.853 -0.023 18281 2282 1 3 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.912 -0.752 18281 2283 1 3 . 1 1 120 120 LYS H H 120 9.150 9.150 8.191 0.959 18281 2284 1 3 . 1 1 121 121 TYR N N 121 126.500 126.500 121.535 4.965 18281 2285 1 3 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.069 0.931 18281 2286 1 3 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.420 -0.221 18281 2287 1 3 . 1 1 121 121 TYR H H 121 9.800 9.800 8.431 1.369 18281 2288 1 3 . 1 1 122 122 HIS C C 122 174.670 174.670 174.676 -0.006 18281 2289 1 3 . 1 1 123 123 THR N N 123 125.750 125.750 111.906 13.844 18281 2290 1 3 . 1 1 123 123 THR HA H 123 5.400 5.400 4.800 0.600 18281 2291 1 3 . 1 1 123 123 THR C C 123 174.460 174.460 174.616 -0.156 18281 2292 1 3 . 1 1 123 123 THR CA C 123 60.230 60.230 59.674 0.556 18281 2293 1 3 . 1 1 123 123 THR CB C 123 71.260 71.260 72.152 -0.892 18281 2294 1 3 . 1 1 123 123 THR H H 123 8.920 8.920 8.268 0.652 18281 2295 1 3 . 1 1 124 124 LYS N N 124 121.170 121.170 120.282 0.888 18281 2296 1 3 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.145 0.615 18281 2297 1 3 . 1 1 124 124 LYS C C 124 176.450 176.450 177.165 -0.715 18281 2298 1 3 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.724 -3.214 18281 2299 1 3 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.596 1.304 18281 2300 1 3 . 1 1 124 124 LYS H H 124 8.590 8.590 8.428 0.162 18281 2301 1 3 . 1 1 125 125 GLY N N 125 110.070 110.070 106.072 3.998 18281 2302 1 3 . 1 1 125 125 GLY C C 125 173.620 173.620 173.899 -0.279 18281 2303 1 3 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.175 0.095 18281 2304 1 3 . 1 1 125 125 GLY H H 125 8.390 8.390 7.592 0.798 18281 2305 1 3 . 1 1 126 126 ASP N N 126 120.070 120.070 121.357 -1.287 18281 2306 1 3 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.746 -0.076 18281 2307 1 3 . 1 1 126 126 ASP C C 126 175.580 175.580 176.461 -0.881 18281 2308 1 3 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.689 0.601 18281 2309 1 3 . 1 1 126 126 ASP CB C 126 40.360 40.360 41.445 -1.085 18281 2310 1 3 . 1 1 126 126 ASP H H 126 8.440 8.440 8.409 0.031 18281 2311 1 3 . 1 1 127 127 VAL N N 127 119.620 119.620 118.611 1.009 18281 2312 1 3 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.960 0.280 18281 2313 1 3 . 1 1 127 127 VAL C C 127 174.610 174.610 175.334 -0.724 18281 2314 1 3 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.340 -2.110 18281 2315 1 3 . 1 1 127 127 VAL CB C 127 34.250 34.250 31.437 2.813 18281 2316 1 3 . 1 1 127 127 VAL H H 127 7.620 7.620 7.646 -0.026 18281 2317 1 3 . 1 1 128 128 GLU N N 128 125.030 125.030 124.037 0.993 18281 2318 1 3 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.645 -0.515 18281 2319 1 3 . 1 1 128 128 GLU C C 128 175.680 175.680 175.419 0.261 18281 2320 1 3 . 1 1 128 128 GLU CA C 128 55.540 55.540 54.916 0.624 18281 2321 1 3 . 1 1 128 128 GLU CB C 128 30.790 30.790 32.139 -1.349 18281 2322 1 3 . 1 1 128 128 GLU H H 128 8.330 8.330 8.200 0.130 18281 2323 1 3 . 1 1 129 129 ILE N N 129 124.070 124.070 120.269 3.801 18281 2324 1 3 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.284 -0.324 18281 2325 1 3 . 1 1 129 129 ILE C C 129 175.960 175.960 174.525 1.435 18281 2326 1 3 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.910 -0.560 18281 2327 1 3 . 1 1 129 129 ILE CB C 129 36.680 36.680 39.996 -3.316 18281 2328 1 3 . 1 1 129 129 ILE H H 129 7.380 7.380 8.303 -0.923 18281 2329 1 3 . 1 1 130 130 LYS N N 130 127.800 127.800 123.307 4.493 18281 2330 1 3 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.569 -0.289 18281 2331 1 3 . 1 1 130 130 LYS C C 130 177.660 177.660 176.760 0.900 18281 2332 1 3 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.665 0.185 18281 2333 1 3 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.362 -0.552 18281 2334 1 3 . 1 1 130 130 LYS H H 130 8.790 8.790 8.536 0.254 18281 2335 1 3 . 1 1 131 131 GLU N N 131 125.060 125.060 126.208 -1.148 18281 2336 1 3 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.772 0.038 18281 2337 1 3 . 1 1 131 131 GLU C C 131 178.630 178.630 178.167 0.463 18281 2338 1 3 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.311 -0.801 18281 2339 1 3 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.593 -0.293 18281 2340 1 3 . 1 1 131 131 GLU H H 131 8.880 8.880 9.149 -0.269 18281 2341 1 3 . 1 1 132 132 GLU N N 132 117.220 117.220 117.077 0.143 18281 2342 1 3 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.966 0.014 18281 2343 1 3 . 1 1 132 132 GLU C C 132 178.630 178.630 178.854 -0.224 18281 2344 1 3 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.228 0.382 18281 2345 1 3 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.133 -0.153 18281 2346 1 3 . 1 1 132 132 GLU H H 132 9.200 9.200 8.891 0.309 18281 2347 1 3 . 1 1 133 133 HIS N N 133 119.810 119.810 119.536 0.274 18281 2348 1 3 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.321 0.149 18281 2349 1 3 . 1 1 133 133 HIS C C 133 178.430 178.430 177.352 1.078 18281 2350 1 3 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.224 -0.094 18281 2351 1 3 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.742 1.578 18281 2352 1 3 . 1 1 133 133 HIS H H 133 7.500 7.500 7.664 -0.164 18281 2353 1 3 . 1 1 134 134 VAL N N 134 120.370 120.370 119.839 0.531 18281 2354 1 3 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.276 0.374 18281 2355 1 3 . 1 1 134 134 VAL C C 134 179.170 179.170 177.482 1.688 18281 2356 1 3 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.689 -1.509 18281 2357 1 3 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.304 0.406 18281 2358 1 3 . 1 1 134 134 VAL H H 134 7.290 7.290 7.962 -0.672 18281 2359 1 3 . 1 1 135 135 LYS N N 135 121.310 121.310 120.049 1.261 18281 2360 1 3 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.792 0.168 18281 2361 1 3 . 1 1 135 135 LYS C C 135 178.310 178.310 178.145 0.165 18281 2362 1 3 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.108 0.222 18281 2363 1 3 . 1 1 135 135 LYS CB C 135 32.180 32.180 31.795 0.385 18281 2364 1 3 . 1 1 135 135 LYS H H 135 8.310 8.310 8.287 0.023 18281 2365 1 3 . 1 1 136 136 ALA N N 136 121.150 121.150 120.150 1.000 18281 2366 1 3 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.086 0.144 18281 2367 1 3 . 1 1 136 136 ALA C C 136 180.930 180.930 179.679 1.251 18281 2368 1 3 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.008 0.013 18281 2369 1 3 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.056 -0.306 18281 2370 1 3 . 1 1 136 136 ALA H H 136 7.950 7.950 7.464 0.486 18281 2371 1 3 . 1 1 137 137 GLY N N 137 105.640 105.640 106.532 -0.892 18281 2372 1 3 . 1 1 137 137 GLY C C 137 177.000 177.000 175.986 1.014 18281 2373 1 3 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.662 0.498 18281 2374 1 3 . 1 1 137 137 GLY H H 137 7.930 7.930 7.857 0.073 18281 2375 1 3 . 1 1 138 138 LYS N N 138 124.210 124.210 122.410 1.800 18281 2376 1 3 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.990 0.240 18281 2377 1 3 . 1 1 138 138 LYS C C 138 178.860 178.860 178.749 0.111 18281 2378 1 3 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.754 0.036 18281 2379 1 3 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.465 0.205 18281 2380 1 3 . 1 1 138 138 LYS H H 138 7.960 7.960 8.340 -0.380 18281 2381 1 3 . 1 1 139 139 GLU N N 139 119.720 119.720 118.778 0.942 18281 2382 1 3 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.042 0.098 18281 2383 1 3 . 1 1 139 139 GLU C C 139 179.710 179.710 179.125 0.585 18281 2384 1 3 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.290 -0.110 18281 2385 1 3 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.093 0.207 18281 2386 1 3 . 1 1 139 139 GLU H H 139 8.370 8.370 7.863 0.507 18281 2387 1 3 . 1 1 140 140 LYS N N 140 120.270 120.270 119.586 0.684 18281 2388 1 3 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.963 0.147 18281 2389 1 3 . 1 1 140 140 LYS C C 140 179.210 179.210 179.227 -0.017 18281 2390 1 3 . 1 1 140 140 LYS CA C 140 59.610 59.610 60.003 -0.393 18281 2391 1 3 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.213 0.167 18281 2392 1 3 . 1 1 140 140 LYS H H 140 8.140 8.140 7.716 0.424 18281 2393 1 3 . 1 1 141 141 ALA N N 141 121.910 121.910 121.249 0.661 18281 2394 1 3 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.227 -0.187 18281 2395 1 3 . 1 1 141 141 ALA C C 141 179.530 179.530 179.697 -0.167 18281 2396 1 3 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.966 0.054 18281 2397 1 3 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.259 0.121 18281 2398 1 3 . 1 1 141 141 ALA H H 141 7.730 7.730 7.785 -0.055 18281 2399 1 3 . 1 1 142 142 ALA N N 142 120.440 120.440 121.093 -0.653 18281 2400 1 3 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.041 -0.161 18281 2401 1 3 . 1 1 142 142 ALA C C 142 180.080 180.080 179.257 0.823 18281 2402 1 3 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.969 -0.070 18281 2403 1 3 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.179 0.051 18281 2404 1 3 . 1 1 142 142 ALA H H 142 8.280 8.280 8.367 -0.087 18281 2405 1 3 . 1 1 143 143 HIS N N 143 118.280 118.280 119.234 -0.954 18281 2406 1 3 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.239 0.111 18281 2407 1 3 . 1 1 143 143 HIS C C 143 177.350 177.350 177.657 -0.307 18281 2408 1 3 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.985 -0.555 18281 2409 1 3 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.849 0.902 18281 2410 1 3 . 1 1 143 143 HIS H H 143 8.030 8.030 8.564 -0.534 18281 2411 1 3 . 1 1 144 144 LEU N N 144 118.820 118.820 119.081 -0.261 18281 2412 1 3 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.824 0.086 18281 2413 1 3 . 1 1 144 144 LEU C C 144 179.040 179.040 178.761 0.279 18281 2414 1 3 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.624 0.456 18281 2415 1 3 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.666 -0.706 18281 2416 1 3 . 1 1 144 144 LEU H H 144 7.700 7.700 7.782 -0.082 18281 2417 1 3 . 1 1 145 145 PHE N N 145 116.920 116.920 119.885 -2.965 18281 2418 1 3 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.988 0.012 18281 2419 1 3 . 1 1 145 145 PHE C C 145 177.900 177.900 177.067 0.833 18281 2420 1 3 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.944 0.207 18281 2421 1 3 . 1 1 145 145 PHE CB C 145 37.750 37.750 39.026 -1.276 18281 2422 1 3 . 1 1 145 145 PHE H H 145 8.100 8.100 8.033 0.067 18281 2423 1 3 . 1 1 146 146 LYS N N 146 119.710 119.710 118.346 1.364 18281 2424 1 3 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.774 0.356 18281 2425 1 3 . 1 1 146 146 LYS C C 146 177.750 177.750 178.680 -0.930 18281 2426 1 3 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.539 -0.639 18281 2427 1 3 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.055 0.225 18281 2428 1 3 . 1 1 146 146 LYS H H 146 8.040 8.040 7.991 0.049 18281 2429 1 3 . 1 1 147 147 LEU N N 147 118.970 118.970 118.662 0.308 18281 2430 1 3 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.960 0.040 18281 2431 1 3 . 1 1 147 147 LEU C C 147 180.460 180.460 178.773 1.687 18281 2432 1 3 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.424 0.046 18281 2433 1 3 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.343 1.058 18281 2434 1 3 . 1 1 147 147 LEU H H 147 7.960 7.960 7.206 0.754 18281 2435 1 3 . 1 1 148 148 ILE N N 148 121.410 121.410 119.555 1.855 18281 2436 1 3 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.427 0.113 18281 2437 1 3 . 1 1 148 148 ILE C C 148 177.030 177.030 177.942 -0.912 18281 2438 1 3 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.224 0.176 18281 2439 1 3 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.170 0.520 18281 2440 1 3 . 1 1 148 148 ILE H H 148 8.200 8.200 7.229 0.971 18281 2441 1 3 . 1 1 149 149 GLU N N 149 120.450 120.450 120.028 0.422 18281 2442 1 3 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.800 -0.120 18281 2443 1 3 . 1 1 149 149 GLU C C 149 178.540 178.540 179.183 -0.643 18281 2444 1 3 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.477 0.843 18281 2445 1 3 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.400 -0.570 18281 2446 1 3 . 1 1 149 149 GLU H H 149 8.680 8.680 7.510 1.170 18281 2447 1 3 . 1 1 150 150 GLY N N 150 104.450 104.450 106.950 -2.500 18281 2448 1 3 . 1 1 150 150 GLY C C 150 175.670 175.670 175.755 -0.085 18281 2449 1 3 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.880 0.370 18281 2450 1 3 . 1 1 150 150 GLY H H 150 8.180 8.180 7.818 0.362 18281 2451 1 3 . 1 1 151 151 TYR N N 151 122.120 122.120 123.846 -1.726 18281 2452 1 3 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.475 -0.095 18281 2453 1 3 . 1 1 151 151 TYR C C 151 179.360 179.360 177.596 1.764 18281 2454 1 3 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.532 0.788 18281 2455 1 3 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.630 -2.240 18281 2456 1 3 . 1 1 151 151 TYR H H 151 7.910 7.910 8.321 -0.411 18281 2457 1 3 . 1 1 152 152 LEU N N 152 120.020 120.020 117.064 2.956 18281 2458 1 3 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.951 0.079 18281 2459 1 3 . 1 1 152 152 LEU C C 152 180.320 180.320 178.942 1.378 18281 2460 1 3 . 1 1 152 152 LEU CA C 152 57.760 57.760 56.987 0.773 18281 2461 1 3 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.456 -0.456 18281 2462 1 3 . 1 1 152 152 LEU H H 152 8.630 8.630 7.830 0.800 18281 2463 1 3 . 1 1 153 153 LYS N N 153 119.730 119.730 119.576 0.154 18281 2464 1 3 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.132 -0.162 18281 2465 1 3 . 1 1 153 153 LYS C C 153 178.150 178.150 177.853 0.297 18281 2466 1 3 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.440 0.960 18281 2467 1 3 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.760 -0.410 18281 2468 1 3 . 1 1 153 153 LYS H H 153 8.260 8.260 7.578 0.682 18281 2469 1 3 . 1 1 154 154 ASP N N 154 117.020 117.020 116.644 0.376 18281 2470 1 3 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.639 -0.639 18281 2471 1 3 . 1 1 154 154 ASP C C 154 175.660 175.660 176.025 -0.365 18281 2472 1 3 . 1 1 154 154 ASP CA C 154 55.030 55.030 53.359 1.671 18281 2473 1 3 . 1 1 154 154 ASP H H 154 7.560 7.560 8.118 -0.558 18281 2474 1 3 . 1 1 155 155 HIS N N 155 117.160 117.160 119.925 -2.765 18281 2475 1 3 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.118 0.782 18281 2476 1 3 . 1 1 155 155 HIS CA C 155 54.150 54.150 53.727 0.423 18281 2477 1 3 . 1 1 155 155 HIS CB C 155 27.990 27.990 28.445 -0.455 18281 2478 1 3 . 1 1 155 155 HIS H H 155 7.430 7.430 7.564 -0.134 18281 2479 1 4 . 1 1 3 3 VAL N N 3 119.910 119.910 120.976 -1.066 18281 2480 1 4 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.500 0.420 18281 2481 1 4 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.917 -0.897 18281 2482 1 4 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.737 0.393 18281 2483 1 4 . 1 1 3 3 VAL H H 3 7.630 7.630 8.099 -0.469 18281 2484 1 4 . 1 1 4 4 TYR N N 4 119.930 119.930 126.349 -6.419 18281 2485 1 4 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.823 -0.153 18281 2486 1 4 . 1 1 4 4 TYR C C 4 174.670 174.670 174.846 -0.176 18281 2487 1 4 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.134 0.336 18281 2488 1 4 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.720 0.550 18281 2489 1 4 . 1 1 4 4 TYR H H 4 8.660 8.660 8.549 0.111 18281 2490 1 4 . 1 1 5 5 THR N N 5 119.930 119.930 121.873 -1.943 18281 2491 1 4 . 1 1 5 5 THR HA H 5 5.290 5.290 4.665 0.625 18281 2492 1 4 . 1 1 5 5 THR C C 5 173.180 173.180 172.933 0.247 18281 2493 1 4 . 1 1 5 5 THR CA C 5 61.780 61.780 61.376 0.404 18281 2494 1 4 . 1 1 5 5 THR CB C 5 70.360 70.360 69.651 0.709 18281 2495 1 4 . 1 1 5 5 THR H H 5 8.230 8.230 7.444 0.786 18281 2496 1 4 . 1 1 6 6 TYR N N 6 125.060 125.060 126.043 -0.983 18281 2497 1 4 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.844 0.446 18281 2498 1 4 . 1 1 6 6 TYR C C 6 174.380 174.380 173.150 1.230 18281 2499 1 4 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.852 0.258 18281 2500 1 4 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.752 -0.902 18281 2501 1 4 . 1 1 6 6 TYR H H 6 9.210 9.210 8.509 0.701 18281 2502 1 4 . 1 1 7 7 GLU N N 7 122.360 122.360 127.024 -4.664 18281 2503 1 4 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.626 0.734 18281 2504 1 4 . 1 1 7 7 GLU C C 7 175.390 175.390 174.300 1.090 18281 2505 1 4 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.485 0.495 18281 2506 1 4 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.273 0.777 18281 2507 1 4 . 1 1 7 7 GLU H H 7 8.830 8.830 7.900 0.930 18281 2508 1 4 . 1 1 8 8 ASN N N 8 119.960 119.960 124.312 -4.352 18281 2509 1 4 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.077 0.023 18281 2510 1 4 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.046 0.574 18281 2511 1 4 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.877 1.333 18281 2512 1 4 . 1 1 8 8 ASN H H 8 8.800 8.800 9.164 -0.364 18281 2513 1 4 . 1 1 9 9 GLU N N 9 121.420 121.420 125.804 -4.384 18281 2514 1 4 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.696 0.904 18281 2515 1 4 . 1 1 9 9 GLU C C 9 174.590 174.590 175.044 -0.454 18281 2516 1 4 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.732 -0.962 18281 2517 1 4 . 1 1 9 9 GLU CB C 9 33.750 33.750 30.305 3.445 18281 2518 1 4 . 1 1 9 9 GLU H H 9 8.330 8.330 8.814 -0.484 18281 2519 1 4 . 1 1 10 10 PHE N N 10 121.240 121.240 126.766 -5.526 18281 2520 1 4 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.841 0.179 18281 2521 1 4 . 1 1 10 10 PHE C C 10 173.880 173.880 173.883 -0.003 18281 2522 1 4 . 1 1 10 10 PHE CA C 10 55.550 55.550 56.896 -1.346 18281 2523 1 4 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.625 -1.155 18281 2524 1 4 . 1 1 10 10 PHE H H 10 8.760 8.760 9.310 -0.550 18281 2525 1 4 . 1 1 11 11 THR N N 11 113.110 113.110 118.227 -5.117 18281 2526 1 4 . 1 1 11 11 THR HA H 11 5.170 5.170 4.916 0.254 18281 2527 1 4 . 1 1 11 11 THR C C 11 173.530 173.530 173.715 -0.185 18281 2528 1 4 . 1 1 11 11 THR CA C 11 60.940 60.940 60.502 0.438 18281 2529 1 4 . 1 1 11 11 THR CB C 11 71.260 71.260 70.558 0.702 18281 2530 1 4 . 1 1 11 11 THR H H 11 8.470 8.470 7.721 0.749 18281 2531 1 4 . 1 1 12 12 SER N N 12 115.490 115.490 117.655 -2.165 18281 2532 1 4 . 1 1 12 12 SER C C 12 173.530 173.530 172.626 0.904 18281 2533 1 4 . 1 1 12 12 SER CA C 12 56.460 56.460 56.827 -0.367 18281 2534 1 4 . 1 1 12 12 SER CB C 12 66.320 66.320 66.567 -0.247 18281 2535 1 4 . 1 1 12 12 SER H H 12 8.870 8.870 8.903 -0.033 18281 2536 1 4 . 1 1 13 13 ASP N N 13 126.650 126.650 121.325 5.325 18281 2537 1 4 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.689 0.051 18281 2538 1 4 . 1 1 13 13 ASP C C 13 174.520 174.520 176.178 -1.658 18281 2539 1 4 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.219 0.811 18281 2540 1 4 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.652 -0.652 18281 2541 1 4 . 1 1 13 13 ASP H H 13 9.060 9.060 8.547 0.513 18281 2542 1 4 . 1 1 14 14 ILE N N 14 123.580 123.580 115.729 7.851 18281 2543 1 4 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.962 0.388 18281 2544 1 4 . 1 1 14 14 ILE CA C 14 57.390 57.390 60.943 -3.553 18281 2545 1 4 . 1 1 14 14 ILE CB C 14 37.340 37.340 36.584 0.756 18281 2546 1 4 . 1 1 14 14 ILE H H 14 8.470 8.470 8.290 0.180 18281 2547 1 4 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.629 -0.189 18281 2548 1 4 . 1 1 15 15 PRO C C 15 177.130 177.130 177.945 -0.815 18281 2549 1 4 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.492 0.578 18281 2550 1 4 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.617 0.833 18281 2551 1 4 . 1 1 16 16 ALA N N 16 126.780 126.780 126.633 0.147 18281 2552 1 4 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.983 0.017 18281 2553 1 4 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.358 -0.258 18281 2554 1 4 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.223 0.077 18281 2555 1 4 . 1 1 16 16 ALA H H 16 8.570 8.570 8.369 0.201 18281 2556 1 4 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.373 -0.473 18281 2557 1 4 . 1 1 17 17 PRO C C 17 179.610 179.610 179.183 0.427 18281 2558 1 4 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.476 0.534 18281 2559 1 4 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.340 -0.440 18281 2560 1 4 . 1 1 18 18 LYS N N 18 116.630 116.630 118.909 -2.279 18281 2561 1 4 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.189 -0.049 18281 2562 1 4 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.501 -0.230 18281 2563 1 4 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.900 0.420 18281 2564 1 4 . 1 1 18 18 LYS H H 18 6.710 6.710 8.007 -1.297 18281 2565 1 4 . 1 1 19 19 LEU N N 19 118.930 118.930 120.338 -1.408 18281 2566 1 4 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.247 -0.407 18281 2567 1 4 . 1 1 19 19 LEU C C 19 178.380 178.380 178.060 0.320 18281 2568 1 4 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.022 0.408 18281 2569 1 4 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.094 -0.004 18281 2570 1 4 . 1 1 19 19 LEU H H 19 7.950 7.950 8.421 -0.471 18281 2571 1 4 . 1 1 20 20 PHE N N 20 118.660 118.660 120.613 -1.953 18281 2572 1 4 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.188 -0.338 18281 2573 1 4 . 1 1 20 20 PHE C C 20 177.680 177.680 177.010 0.670 18281 2574 1 4 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.970 0.910 18281 2575 1 4 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.198 0.222 18281 2576 1 4 . 1 1 20 20 PHE H H 20 9.040 9.040 8.532 0.508 18281 2577 1 4 . 1 1 21 21 LYS N N 21 118.430 118.430 118.947 -0.517 18281 2578 1 4 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.023 -0.253 18281 2579 1 4 . 1 1 21 21 LYS C C 21 176.400 176.400 178.749 -2.349 18281 2580 1 4 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.694 0.466 18281 2581 1 4 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.413 0.587 18281 2582 1 4 . 1 1 21 21 LYS H H 21 7.630 7.630 8.028 -0.398 18281 2583 1 4 . 1 1 22 22 ALA N N 22 118.710 118.710 121.406 -2.696 18281 2584 1 4 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.166 0.604 18281 2585 1 4 . 1 1 22 22 ALA C C 22 175.450 175.450 178.882 -3.432 18281 2586 1 4 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.558 0.982 18281 2587 1 4 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.535 1.665 18281 2588 1 4 . 1 1 22 22 ALA H H 22 7.390 7.390 7.441 -0.051 18281 2589 1 4 . 1 1 23 23 PHE N N 23 109.720 109.720 116.319 -6.599 18281 2590 1 4 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.203 0.037 18281 2591 1 4 . 1 1 23 23 PHE C C 23 174.130 174.130 174.979 -0.849 18281 2592 1 4 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.090 -1.770 18281 2593 1 4 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.050 0.390 18281 2594 1 4 . 1 1 23 23 PHE H H 23 8.400 8.400 8.064 0.336 18281 2595 1 4 . 1 1 24 24 VAL N N 24 113.250 113.250 115.751 -2.501 18281 2596 1 4 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.463 -0.143 18281 2597 1 4 . 1 1 24 24 VAL C C 24 177.660 177.660 177.648 0.012 18281 2598 1 4 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.248 0.252 18281 2599 1 4 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.209 -1.329 18281 2600 1 4 . 1 1 24 24 VAL H H 24 7.220 7.220 7.188 0.032 18281 2601 1 4 . 1 1 25 25 LEU N N 25 116.250 116.250 121.148 -4.898 18281 2602 1 4 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.974 -0.084 18281 2603 1 4 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.859 0.051 18281 2604 1 4 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.611 -0.611 18281 2605 1 4 . 1 1 25 25 LEU H H 25 7.180 7.180 8.084 -0.904 18281 2606 1 4 . 1 1 26 26 ASP N N 26 117.160 117.160 115.292 1.868 18281 2607 1 4 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.672 0.628 18281 2608 1 4 . 1 1 26 26 ASP C C 26 177.300 177.300 176.163 1.137 18281 2609 1 4 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.406 -0.236 18281 2610 1 4 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.792 3.128 18281 2611 1 4 . 1 1 26 26 ASP H H 26 8.070 8.070 7.543 0.527 18281 2612 1 4 . 1 1 27 27 ALA N N 27 123.040 123.040 122.573 0.467 18281 2613 1 4 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.603 0.157 18281 2614 1 4 . 1 1 27 27 ALA C C 27 178.900 178.900 178.451 0.449 18281 2615 1 4 . 1 1 27 27 ALA CA C 27 56.040 56.040 55.283 0.757 18281 2616 1 4 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.419 1.011 18281 2617 1 4 . 1 1 27 27 ALA H H 27 6.360 6.360 7.265 -0.905 18281 2618 1 4 . 1 1 28 28 ASP N N 28 115.060 115.060 117.104 -2.044 18281 2619 1 4 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.249 -0.269 18281 2620 1 4 . 1 1 28 28 ASP C C 28 175.850 175.850 176.680 -0.830 18281 2621 1 4 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.194 -0.654 18281 2622 1 4 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.733 -1.093 18281 2623 1 4 . 1 1 28 28 ASP H H 28 8.290 8.290 8.595 -0.305 18281 2624 1 4 . 1 1 29 29 ASN N N 29 113.110 113.110 115.963 -2.853 18281 2625 1 4 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.581 0.149 18281 2626 1 4 . 1 1 29 29 ASN C C 29 176.430 176.430 176.882 -0.452 18281 2627 1 4 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.796 -1.186 18281 2628 1 4 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.063 1.197 18281 2629 1 4 . 1 1 29 29 ASN H H 29 7.360 7.360 7.846 -0.486 18281 2630 1 4 . 1 1 30 30 LEU N N 30 120.630 120.630 122.338 -1.708 18281 2631 1 4 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.906 0.114 18281 2632 1 4 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.683 0.117 18281 2633 1 4 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.518 1.262 18281 2634 1 4 . 1 1 30 30 LEU H H 30 8.320 8.320 8.407 -0.087 18281 2635 1 4 . 1 1 31 31 ILE N N 31 116.170 116.170 119.401 -3.231 18281 2636 1 4 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.588 0.062 18281 2637 1 4 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.516 -0.716 18281 2638 1 4 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.330 -1.419 18281 2639 1 4 . 1 1 31 31 ILE H H 31 8.140 8.140 7.471 0.669 18281 2640 1 4 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.228 0.292 18281 2641 1 4 . 1 1 32 32 PRO C C 32 177.680 177.680 177.513 0.167 18281 2642 1 4 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.412 1.108 18281 2643 1 4 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.233 0.287 18281 2644 1 4 . 1 1 33 33 LYS N N 33 112.410 112.410 118.032 -5.622 18281 2645 1 4 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.006 0.144 18281 2646 1 4 . 1 1 33 33 LYS C C 33 178.220 178.220 178.733 -0.513 18281 2647 1 4 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.103 0.187 18281 2648 1 4 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.089 0.821 18281 2649 1 4 . 1 1 33 33 LYS H H 33 6.880 6.880 7.479 -0.600 18281 2650 1 4 . 1 1 34 34 ILE N N 34 112.260 112.260 117.533 -5.273 18281 2651 1 4 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.924 0.396 18281 2652 1 4 . 1 1 34 34 ILE C C 34 175.920 175.920 176.782 -0.862 18281 2653 1 4 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.936 -2.116 18281 2654 1 4 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.560 0.790 18281 2655 1 4 . 1 1 34 34 ILE H H 34 7.560 7.560 7.477 0.083 18281 2656 1 4 . 1 1 35 35 ALA N N 35 124.420 124.420 120.049 4.371 18281 2657 1 4 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.795 0.175 18281 2658 1 4 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.118 0.242 18281 2659 1 4 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.093 0.167 18281 2660 1 4 . 1 1 35 35 ALA H H 35 8.820 8.820 7.392 1.428 18281 2661 1 4 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.249 0.481 18281 2662 1 4 . 1 1 36 36 PRO C C 36 177.890 177.890 177.314 0.576 18281 2663 1 4 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.629 -0.389 18281 2664 1 4 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.148 -0.468 18281 2665 1 4 . 1 1 37 37 GLN N N 37 115.580 115.580 115.833 -0.253 18281 2666 1 4 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.114 0.136 18281 2667 1 4 . 1 1 37 37 GLN C C 37 177.740 177.740 176.347 1.393 18281 2668 1 4 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.680 -0.370 18281 2669 1 4 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.473 0.047 18281 2670 1 4 . 1 1 37 37 GLN H H 37 8.660 8.660 8.486 0.174 18281 2671 1 4 . 1 1 38 38 ALA N N 38 123.250 123.250 120.377 2.873 18281 2672 1 4 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.509 -0.119 18281 2673 1 4 . 1 1 38 38 ALA C C 38 177.850 177.850 177.004 0.846 18281 2674 1 4 . 1 1 38 38 ALA CA C 38 53.500 53.500 52.842 0.658 18281 2675 1 4 . 1 1 38 38 ALA CB C 38 19.830 19.830 20.075 -0.245 18281 2676 1 4 . 1 1 38 38 ALA H H 38 8.030 8.030 7.376 0.654 18281 2677 1 4 . 1 1 39 39 VAL N N 39 117.330 117.330 115.619 1.711 18281 2678 1 4 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.165 -0.035 18281 2679 1 4 . 1 1 39 39 VAL C C 39 172.750 172.750 175.459 -2.709 18281 2680 1 4 . 1 1 39 39 VAL CA C 39 62.450 62.450 61.389 1.061 18281 2681 1 4 . 1 1 39 39 VAL CB C 39 32.630 32.630 32.723 -0.093 18281 2682 1 4 . 1 1 39 39 VAL H H 39 7.660 7.660 7.292 0.368 18281 2683 1 4 . 1 1 40 40 LYS N N 40 125.270 125.270 126.242 -0.972 18281 2684 1 4 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.131 0.329 18281 2685 1 4 . 1 1 40 40 LYS C C 40 177.240 177.240 176.507 0.733 18281 2686 1 4 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.809 -1.359 18281 2687 1 4 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.306 0.694 18281 2688 1 4 . 1 1 40 40 LYS H H 40 8.910 8.910 8.804 0.106 18281 2689 1 4 . 1 1 41 41 CYS N N 41 112.210 112.210 115.415 -3.205 18281 2690 1 4 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.361 0.199 18281 2691 1 4 . 1 1 41 41 CYS C C 41 170.900 170.900 172.491 -1.591 18281 2692 1 4 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.297 -2.277 18281 2693 1 4 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.736 0.064 18281 2694 1 4 . 1 1 41 41 CYS H H 41 7.680 7.680 7.800 -0.120 18281 2695 1 4 . 1 1 42 42 ALA N N 42 125.620 125.620 129.181 -3.561 18281 2696 1 4 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.832 0.388 18281 2697 1 4 . 1 1 42 42 ALA C C 42 175.690 175.690 176.259 -0.569 18281 2698 1 4 . 1 1 42 42 ALA CA C 42 50.980 50.980 50.944 0.036 18281 2699 1 4 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.732 2.268 18281 2700 1 4 . 1 1 42 42 ALA H H 42 8.700 8.700 8.448 0.252 18281 2701 1 4 . 1 1 43 43 GLU N N 43 120.730 120.730 123.621 -2.891 18281 2702 1 4 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.712 -0.052 18281 2703 1 4 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.870 -0.500 18281 2704 1 4 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.747 0.373 18281 2705 1 4 . 1 1 43 43 GLU H H 43 8.810 8.810 8.173 0.637 18281 2706 1 4 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.547 -0.507 18281 2707 1 4 . 1 1 44 44 ILE C C 44 176.190 176.190 176.239 -0.049 18281 2708 1 4 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.706 1.284 18281 2709 1 4 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.315 -0.535 18281 2710 1 4 . 1 1 45 45 LEU N N 45 129.030 129.030 128.647 0.383 18281 2711 1 4 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.175 0.275 18281 2712 1 4 . 1 1 45 45 LEU C C 45 177.270 177.270 177.341 -0.071 18281 2713 1 4 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.359 -1.349 18281 2714 1 4 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.528 -0.048 18281 2715 1 4 . 1 1 45 45 LEU H H 45 9.090 9.090 8.813 0.277 18281 2716 1 4 . 1 1 46 46 GLU N N 46 116.640 116.640 113.787 2.853 18281 2717 1 4 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.472 0.138 18281 2718 1 4 . 1 1 46 46 GLU C C 46 174.840 174.840 175.639 -0.799 18281 2719 1 4 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.637 -0.027 18281 2720 1 4 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.034 0.536 18281 2721 1 4 . 1 1 46 46 GLU H H 46 7.700 7.700 7.513 0.187 18281 2722 1 4 . 1 1 47 47 GLY N N 47 110.230 110.230 110.211 0.019 18281 2723 1 4 . 1 1 47 47 GLY C C 47 173.630 173.630 173.854 -0.224 18281 2724 1 4 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.766 -1.086 18281 2725 1 4 . 1 1 47 47 GLY H H 47 8.620 8.620 8.775 -0.155 18281 2726 1 4 . 1 1 48 48 ASP N N 48 115.220 115.220 120.482 -5.262 18281 2727 1 4 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.329 0.441 18281 2728 1 4 . 1 1 48 48 ASP C C 48 177.340 177.340 175.884 1.456 18281 2729 1 4 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.822 -1.902 18281 2730 1 4 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.446 2.234 18281 2731 1 4 . 1 1 48 48 ASP H H 48 7.960 7.960 8.431 -0.471 18281 2732 1 4 . 1 1 49 49 GLY N N 49 110.900 110.900 103.353 7.547 18281 2733 1 4 . 1 1 49 49 GLY C C 49 174.750 174.750 173.870 0.880 18281 2734 1 4 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.187 0.123 18281 2735 1 4 . 1 1 49 49 GLY H H 49 8.750 8.750 8.500 0.250 18281 2736 1 4 . 1 1 50 50 GLY N N 50 107.020 107.020 107.277 -0.257 18281 2737 1 4 . 1 1 50 50 GLY CA C 50 43.600 43.600 43.058 0.542 18281 2738 1 4 . 1 1 50 50 GLY H H 50 8.300 8.300 8.168 0.132 18281 2739 1 4 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.328 -0.368 18281 2740 1 4 . 1 1 51 51 PRO C C 51 176.780 176.780 176.814 -0.034 18281 2741 1 4 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.267 1.732 18281 2742 1 4 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.824 0.046 18281 2743 1 4 . 1 1 52 52 GLY N N 52 114.320 114.320 114.287 0.033 18281 2744 1 4 . 1 1 52 52 GLY C C 52 174.170 174.170 174.316 -0.146 18281 2745 1 4 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.534 -0.854 18281 2746 1 4 . 1 1 52 52 GLY H H 52 9.240 9.240 8.839 0.401 18281 2747 1 4 . 1 1 53 53 THR N N 53 118.900 118.900 115.936 2.964 18281 2748 1 4 . 1 1 53 53 THR HA H 53 4.660 4.660 4.683 -0.023 18281 2749 1 4 . 1 1 53 53 THR C C 53 173.510 173.510 173.714 -0.204 18281 2750 1 4 . 1 1 53 53 THR CA C 53 64.580 64.580 63.259 1.321 18281 2751 1 4 . 1 1 53 53 THR CB C 53 70.070 70.070 70.301 -0.231 18281 2752 1 4 . 1 1 53 53 THR H H 53 7.910 7.910 7.391 0.519 18281 2753 1 4 . 1 1 54 54 ILE N N 54 124.830 124.830 125.116 -0.286 18281 2754 1 4 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.704 0.606 18281 2755 1 4 . 1 1 54 54 ILE C C 54 175.260 175.260 174.919 0.341 18281 2756 1 4 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.343 1.527 18281 2757 1 4 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.397 1.053 18281 2758 1 4 . 1 1 54 54 ILE H H 54 8.550 8.550 8.443 0.107 18281 2759 1 4 . 1 1 55 55 LYS N N 55 126.970 126.970 125.436 1.534 18281 2760 1 4 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.240 0.060 18281 2761 1 4 . 1 1 55 55 LYS C C 55 173.950 173.950 175.429 -1.479 18281 2762 1 4 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.427 -0.597 18281 2763 1 4 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.302 0.428 18281 2764 1 4 . 1 1 55 55 LYS H H 55 9.400 9.400 9.009 0.391 18281 2765 1 4 . 1 1 56 56 LYS N N 56 124.220 124.220 125.055 -0.835 18281 2766 1 4 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.906 0.374 18281 2767 1 4 . 1 1 56 56 LYS C C 56 175.230 175.230 174.514 0.716 18281 2768 1 4 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.555 -0.765 18281 2769 1 4 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.753 0.307 18281 2770 1 4 . 1 1 56 56 LYS H H 56 9.360 9.360 8.980 0.380 18281 2771 1 4 . 1 1 57 57 ILE N N 57 132.380 132.380 128.247 4.133 18281 2772 1 4 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.368 0.272 18281 2773 1 4 . 1 1 57 57 ILE C C 57 174.840 174.840 174.619 0.221 18281 2774 1 4 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.101 0.379 18281 2775 1 4 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.831 -1.561 18281 2776 1 4 . 1 1 57 57 ILE H H 57 9.240 9.240 9.123 0.117 18281 2777 1 4 . 1 1 58 58 THR N N 58 122.310 122.310 122.576 -0.266 18281 2778 1 4 . 1 1 58 58 THR HA H 58 5.180 5.180 4.875 0.305 18281 2779 1 4 . 1 1 58 58 THR C C 58 174.260 174.260 173.360 0.900 18281 2780 1 4 . 1 1 58 58 THR CA C 58 61.720 61.720 61.738 -0.018 18281 2781 1 4 . 1 1 58 58 THR CB C 58 70.640 70.640 70.045 0.595 18281 2782 1 4 . 1 1 58 58 THR H H 58 8.720 8.720 8.173 0.547 18281 2783 1 4 . 1 1 59 59 PHE N N 59 124.570 124.570 126.275 -1.705 18281 2784 1 4 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.926 0.094 18281 2785 1 4 . 1 1 59 59 PHE C C 59 174.510 174.510 175.391 -0.881 18281 2786 1 4 . 1 1 59 59 PHE CA C 59 56.450 56.450 56.601 -0.151 18281 2787 1 4 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.322 -0.312 18281 2788 1 4 . 1 1 59 59 PHE H H 59 8.570 8.570 9.168 -0.598 18281 2789 1 4 . 1 1 60 60 GLY N N 60 104.600 104.600 111.956 -7.356 18281 2790 1 4 . 1 1 60 60 GLY C C 60 173.500 173.500 173.476 0.024 18281 2791 1 4 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.233 0.597 18281 2792 1 4 . 1 1 60 60 GLY H H 60 7.800 7.800 8.016 -0.216 18281 2793 1 4 . 1 1 61 61 GLU N N 61 119.400 119.400 122.537 -3.137 18281 2794 1 4 . 1 1 61 61 GLU HA H 61 4.110 4.110 3.998 0.112 18281 2795 1 4 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.017 -1.217 18281 2796 1 4 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.885 1.055 18281 2797 1 4 . 1 1 61 61 GLU H H 61 8.290 8.290 8.618 -0.328 18281 2798 1 4 . 1 1 62 62 GLY N N 62 110.940 110.940 106.346 4.594 18281 2799 1 4 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.373 1.827 18281 2800 1 4 . 1 1 62 62 GLY H H 62 8.870 8.870 7.738 1.132 18281 2801 1 4 . 1 1 66 66 GLY C C 66 176.930 176.930 172.292 4.638 18281 2802 1 4 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.046 0.034 18281 2803 1 4 . 1 1 67 67 TYR N N 67 115.490 115.490 120.794 -5.304 18281 2804 1 4 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.738 -0.158 18281 2805 1 4 . 1 1 67 67 TYR C C 67 175.470 175.470 173.760 1.710 18281 2806 1 4 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.260 -0.340 18281 2807 1 4 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.975 -0.255 18281 2808 1 4 . 1 1 67 67 TYR H H 67 8.110 8.110 7.947 0.162 18281 2809 1 4 . 1 1 68 68 VAL N N 68 111.980 111.980 117.228 -5.248 18281 2810 1 4 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.960 0.060 18281 2811 1 4 . 1 1 68 68 VAL C C 68 175.480 175.480 174.660 0.820 18281 2812 1 4 . 1 1 68 68 VAL CA C 68 59.500 59.500 59.385 0.115 18281 2813 1 4 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.440 1.020 18281 2814 1 4 . 1 1 68 68 VAL H H 68 8.840 8.840 9.020 -0.180 18281 2815 1 4 . 1 1 69 69 LYS N N 69 118.430 118.430 123.434 -5.004 18281 2816 1 4 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.317 0.383 18281 2817 1 4 . 1 1 69 69 LYS C C 69 175.740 175.740 175.693 0.047 18281 2818 1 4 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.419 0.951 18281 2819 1 4 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.430 1.150 18281 2820 1 4 . 1 1 69 69 LYS H H 69 8.590 8.590 9.070 -0.480 18281 2821 1 4 . 1 1 70 70 HIS N N 70 122.590 122.590 121.637 0.953 18281 2822 1 4 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.137 1.053 18281 2823 1 4 . 1 1 70 70 HIS C C 70 174.590 174.590 173.770 0.820 18281 2824 1 4 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.940 -4.100 18281 2825 1 4 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.018 2.992 18281 2826 1 4 . 1 1 70 70 HIS H H 70 9.160 9.160 8.744 0.416 18281 2827 1 4 . 1 1 71 71 LYS N N 71 122.760 122.760 124.016 -1.256 18281 2828 1 4 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.610 -0.120 18281 2829 1 4 . 1 1 71 71 LYS C C 71 175.500 175.500 174.920 0.580 18281 2830 1 4 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.858 0.181 18281 2831 1 4 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.422 -0.552 18281 2832 1 4 . 1 1 71 71 LYS H H 71 9.460 9.460 9.347 0.113 18281 2833 1 4 . 1 1 72 72 ILE N N 72 127.870 127.870 126.206 1.664 18281 2834 1 4 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.237 -0.357 18281 2835 1 4 . 1 1 72 72 ILE C C 72 175.430 175.430 175.768 -0.338 18281 2836 1 4 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.750 1.650 18281 2837 1 4 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.457 -1.417 18281 2838 1 4 . 1 1 72 72 ILE H H 72 9.320 9.320 8.532 0.788 18281 2839 1 4 . 1 1 73 73 HIS N N 73 127.690 127.690 125.641 2.049 18281 2840 1 4 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.666 0.454 18281 2841 1 4 . 1 1 73 73 HIS C C 73 176.240 176.240 175.175 1.065 18281 2842 1 4 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.933 -0.963 18281 2843 1 4 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.800 0.140 18281 2844 1 4 . 1 1 73 73 HIS H H 73 9.080 9.080 8.305 0.775 18281 2845 1 4 . 1 1 74 74 SER N N 74 110.900 110.900 111.878 -0.978 18281 2846 1 4 . 1 1 74 74 SER HA H 74 4.760 4.760 4.636 0.124 18281 2847 1 4 . 1 1 74 74 SER C C 74 172.620 172.620 172.262 0.358 18281 2848 1 4 . 1 1 74 74 SER CA C 74 57.880 57.880 57.759 0.121 18281 2849 1 4 . 1 1 74 74 SER CB C 74 66.790 66.790 64.725 2.065 18281 2850 1 4 . 1 1 74 74 SER H H 74 8.180 8.180 7.552 0.628 18281 2851 1 4 . 1 1 75 75 ILE N N 75 123.780 123.780 118.326 5.454 18281 2852 1 4 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.826 -0.146 18281 2853 1 4 . 1 1 75 75 ILE C C 75 174.010 174.010 174.113 -0.103 18281 2854 1 4 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.689 2.451 18281 2855 1 4 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.876 -0.566 18281 2856 1 4 . 1 1 75 75 ILE H H 75 8.730 8.730 8.246 0.484 18281 2857 1 4 . 1 1 76 76 ASP N N 76 127.280 127.280 126.275 1.005 18281 2858 1 4 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.092 -0.012 18281 2859 1 4 . 1 1 76 76 ASP C C 76 176.680 176.680 175.982 0.698 18281 2860 1 4 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.181 -1.050 18281 2861 1 4 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.667 -0.117 18281 2862 1 4 . 1 1 76 76 ASP H H 76 9.110 9.110 9.194 -0.084 18281 2863 1 4 . 1 1 77 77 LYS N N 77 122.400 122.400 123.492 -1.092 18281 2864 1 4 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.727 0.253 18281 2865 1 4 . 1 1 77 77 LYS C C 77 175.980 175.980 177.596 -1.616 18281 2866 1 4 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.795 -2.375 18281 2867 1 4 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.453 0.327 18281 2868 1 4 . 1 1 77 77 LYS H H 77 8.890 8.890 8.649 0.241 18281 2869 1 4 . 1 1 78 78 VAL N N 78 119.300 119.300 118.179 1.121 18281 2870 1 4 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.537 0.123 18281 2871 1 4 . 1 1 78 78 VAL C C 78 176.290 176.290 176.483 -0.193 18281 2872 1 4 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.923 -0.503 18281 2873 1 4 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.366 0.734 18281 2874 1 4 . 1 1 78 78 VAL H H 78 8.110 8.110 8.059 0.051 18281 2875 1 4 . 1 1 79 79 ASN N N 79 114.400 114.400 114.921 -0.521 18281 2876 1 4 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.654 -0.174 18281 2877 1 4 . 1 1 79 79 ASN C C 79 173.670 173.670 174.381 -0.711 18281 2878 1 4 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.834 -0.294 18281 2879 1 4 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.760 1.330 18281 2880 1 4 . 1 1 79 79 ASN H H 79 7.700 7.700 8.052 -0.352 18281 2881 1 4 . 1 1 80 80 HIS N N 80 115.530 115.530 113.924 1.606 18281 2882 1 4 . 1 1 80 80 HIS C C 80 173.450 173.450 173.525 -0.075 18281 2883 1 4 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.822 -0.292 18281 2884 1 4 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.762 0.438 18281 2885 1 4 . 1 1 80 80 HIS H H 80 6.980 6.980 6.976 0.004 18281 2886 1 4 . 1 1 81 81 THR N N 81 109.600 109.600 113.820 -4.220 18281 2887 1 4 . 1 1 81 81 THR HA H 81 5.730 5.730 5.162 0.568 18281 2888 1 4 . 1 1 81 81 THR C C 81 172.980 172.980 172.943 0.037 18281 2889 1 4 . 1 1 81 81 THR CA C 81 60.190 60.190 62.107 -1.917 18281 2890 1 4 . 1 1 81 81 THR CB C 81 71.740 71.740 71.583 0.157 18281 2891 1 4 . 1 1 81 81 THR H H 81 7.990 7.990 7.964 0.026 18281 2892 1 4 . 1 1 82 82 TYR N N 82 125.000 125.000 128.283 -3.283 18281 2893 1 4 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.922 0.778 18281 2894 1 4 . 1 1 82 82 TYR C C 82 173.600 173.600 172.940 0.660 18281 2895 1 4 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.172 -1.842 18281 2896 1 4 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.427 0.383 18281 2897 1 4 . 1 1 82 82 TYR H H 82 9.300 9.300 9.708 -0.408 18281 2898 1 4 . 1 1 83 83 SER N N 83 121.820 121.820 122.317 -0.497 18281 2899 1 4 . 1 1 83 83 SER HA H 83 5.670 5.670 4.933 0.737 18281 2900 1 4 . 1 1 83 83 SER C C 83 173.490 173.490 172.776 0.714 18281 2901 1 4 . 1 1 83 83 SER CA C 83 56.420 56.420 55.987 0.433 18281 2902 1 4 . 1 1 83 83 SER CB C 83 65.520 65.520 65.106 0.414 18281 2903 1 4 . 1 1 83 83 SER H H 83 9.090 9.090 7.957 1.133 18281 2904 1 4 . 1 1 84 84 TYR N N 84 122.970 122.970 123.076 -0.106 18281 2905 1 4 . 1 1 84 84 TYR HA H 84 5.230 5.230 4.934 0.296 18281 2906 1 4 . 1 1 84 84 TYR C C 84 172.530 172.530 173.051 -0.521 18281 2907 1 4 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.213 0.207 18281 2908 1 4 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.499 -0.549 18281 2909 1 4 . 1 1 84 84 TYR H H 84 8.790 8.790 8.656 0.134 18281 2910 1 4 . 1 1 85 85 SER N N 85 114.200 114.200 114.278 -0.078 18281 2911 1 4 . 1 1 85 85 SER HA H 85 5.700 5.700 5.356 0.344 18281 2912 1 4 . 1 1 85 85 SER C C 85 173.180 173.180 172.761 0.419 18281 2913 1 4 . 1 1 85 85 SER CA C 85 57.510 57.510 57.195 0.315 18281 2914 1 4 . 1 1 85 85 SER CB C 85 65.940 65.940 67.363 -1.423 18281 2915 1 4 . 1 1 85 85 SER H H 85 9.350 9.350 9.529 -0.179 18281 2916 1 4 . 1 1 86 86 LEU N N 86 128.880 128.880 123.661 5.219 18281 2917 1 4 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.874 0.356 18281 2918 1 4 . 1 1 86 86 LEU C C 86 176.230 176.230 176.907 -0.677 18281 2919 1 4 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.870 1.720 18281 2920 1 4 . 1 1 86 86 LEU CB C 86 44.150 44.150 44.041 0.109 18281 2921 1 4 . 1 1 86 86 LEU H H 86 9.900 9.900 8.902 0.998 18281 2922 1 4 . 1 1 87 87 ILE N N 87 115.900 115.900 126.725 -10.825 18281 2923 1 4 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.022 0.908 18281 2924 1 4 . 1 1 87 87 ILE C C 87 176.080 176.080 176.302 -0.222 18281 2925 1 4 . 1 1 87 87 ILE CA C 87 61.270 61.270 62.389 -1.119 18281 2926 1 4 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.047 1.783 18281 2927 1 4 . 1 1 87 87 ILE H H 87 8.180 8.180 8.684 -0.504 18281 2928 1 4 . 1 1 88 88 GLU N N 88 121.920 121.920 116.575 5.345 18281 2929 1 4 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.519 -0.009 18281 2930 1 4 . 1 1 88 88 GLU C C 88 174.020 174.020 174.625 -0.605 18281 2931 1 4 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.428 1.612 18281 2932 1 4 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.538 1.432 18281 2933 1 4 . 1 1 88 88 GLU H H 88 7.650 7.650 7.519 0.131 18281 2934 1 4 . 1 1 89 89 GLY N N 89 111.650 111.650 107.915 3.735 18281 2935 1 4 . 1 1 89 89 GLY C C 89 173.800 173.800 173.394 0.406 18281 2936 1 4 . 1 1 89 89 GLY CA C 89 44.950 44.950 43.648 1.302 18281 2937 1 4 . 1 1 89 89 GLY H H 89 8.830 8.830 8.216 0.614 18281 2938 1 4 . 1 1 90 90 ASP N N 90 119.650 119.650 120.543 -0.893 18281 2939 1 4 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.181 0.179 18281 2940 1 4 . 1 1 90 90 ASP C C 90 176.570 176.570 177.290 -0.720 18281 2941 1 4 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.753 -0.713 18281 2942 1 4 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.569 0.711 18281 2943 1 4 . 1 1 90 90 ASP H H 90 8.430 8.430 8.652 -0.222 18281 2944 1 4 . 1 1 91 91 ALA N N 91 118.530 118.530 119.889 -1.359 18281 2945 1 4 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.130 0.110 18281 2946 1 4 . 1 1 91 91 ALA C C 91 177.740 177.740 178.751 -1.011 18281 2947 1 4 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.211 -1.001 18281 2948 1 4 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.700 0.610 18281 2949 1 4 . 1 1 91 91 ALA H H 91 7.810 7.810 8.083 -0.273 18281 2950 1 4 . 1 1 92 92 LEU N N 92 117.330 117.330 118.221 -0.891 18281 2951 1 4 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.211 0.249 18281 2952 1 4 . 1 1 92 92 LEU C C 92 176.210 176.210 177.042 -0.832 18281 2953 1 4 . 1 1 92 92 LEU CA C 92 54.020 54.020 56.024 -2.004 18281 2954 1 4 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.376 -2.166 18281 2955 1 4 . 1 1 92 92 LEU H H 92 7.600 7.600 7.239 0.361 18281 2956 1 4 . 1 1 93 93 SER N N 93 115.780 115.780 111.320 4.460 18281 2957 1 4 . 1 1 93 93 SER HA H 93 4.620 4.620 4.082 0.538 18281 2958 1 4 . 1 1 93 93 SER C C 93 173.970 173.970 175.343 -1.373 18281 2959 1 4 . 1 1 93 93 SER CA C 93 57.730 57.730 59.764 -2.034 18281 2960 1 4 . 1 1 93 93 SER CB C 93 64.920 64.920 63.234 1.686 18281 2961 1 4 . 1 1 93 93 SER H H 93 7.910 7.910 8.204 -0.294 18281 2962 1 4 . 1 1 94 94 GLU N N 94 119.400 119.400 119.863 -0.463 18281 2963 1 4 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.073 0.087 18281 2964 1 4 . 1 1 94 94 GLU C C 94 176.570 176.570 176.776 -0.206 18281 2965 1 4 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.376 0.324 18281 2966 1 4 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.688 -0.478 18281 2967 1 4 . 1 1 94 94 GLU H H 94 8.850 8.850 8.832 0.018 18281 2968 1 4 . 1 1 95 95 ASN N N 95 113.460 113.460 115.541 -2.081 18281 2969 1 4 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.694 0.106 18281 2970 1 4 . 1 1 95 95 ASN C C 95 174.070 174.070 174.955 -0.885 18281 2971 1 4 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.737 -0.617 18281 2972 1 4 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.209 0.140 18281 2973 1 4 . 1 1 95 95 ASN H H 95 8.290 8.290 8.043 0.247 18281 2974 1 4 . 1 1 96 96 ILE N N 96 120.610 120.610 119.919 0.691 18281 2975 1 4 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.146 0.044 18281 2976 1 4 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.278 -0.347 18281 2977 1 4 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.115 -0.245 18281 2978 1 4 . 1 1 96 96 ILE H H 96 7.770 7.770 7.566 0.204 18281 2979 1 4 . 1 1 97 97 GLU N N 97 126.670 126.670 124.948 1.722 18281 2980 1 4 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.499 0.291 18281 2981 1 4 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.264 0.936 18281 2982 1 4 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.074 1.876 18281 2983 1 4 . 1 1 97 97 GLU H H 97 8.460 8.460 8.806 -0.346 18281 2984 1 4 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.452 0.258 18281 2985 1 4 . 1 1 98 98 LYS C C 98 173.650 173.650 176.840 -3.190 18281 2986 1 4 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.596 -1.626 18281 2987 1 4 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.967 1.833 18281 2988 1 4 . 1 1 99 99 ILE N N 99 120.290 120.290 119.921 0.369 18281 2989 1 4 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.522 0.268 18281 2990 1 4 . 1 1 99 99 ILE C C 99 174.690 174.690 174.416 0.274 18281 2991 1 4 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.148 0.152 18281 2992 1 4 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.184 0.366 18281 2993 1 4 . 1 1 99 99 ILE H H 99 7.720 7.720 8.238 -0.518 18281 2994 1 4 . 1 1 100 100 ASP N N 100 126.970 126.970 125.126 1.844 18281 2995 1 4 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.875 0.225 18281 2996 1 4 . 1 1 100 100 ASP C C 100 174.490 174.490 174.065 0.425 18281 2997 1 4 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.306 0.324 18281 2998 1 4 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.326 0.524 18281 2999 1 4 . 1 1 100 100 ASP H H 100 9.220 9.220 8.691 0.529 18281 3000 1 4 . 1 1 101 101 TYR N N 101 120.640 120.640 123.603 -2.963 18281 3001 1 4 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.887 0.393 18281 3002 1 4 . 1 1 101 101 TYR C C 101 175.740 175.740 175.175 0.565 18281 3003 1 4 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.355 0.625 18281 3004 1 4 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.544 0.096 18281 3005 1 4 . 1 1 101 101 TYR H H 101 9.140 9.140 8.666 0.474 18281 3006 1 4 . 1 1 102 102 GLU N N 102 122.040 122.040 121.007 1.033 18281 3007 1 4 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.811 0.319 18281 3008 1 4 . 1 1 102 102 GLU C C 102 175.360 175.360 175.545 -0.185 18281 3009 1 4 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.483 0.387 18281 3010 1 4 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.227 -1.157 18281 3011 1 4 . 1 1 102 102 GLU H H 102 8.670 8.670 8.831 -0.161 18281 3012 1 4 . 1 1 103 103 THR N N 103 125.840 125.840 120.884 4.956 18281 3013 1 4 . 1 1 103 103 THR HA H 103 5.580 5.580 5.107 0.473 18281 3014 1 4 . 1 1 103 103 THR C C 103 172.780 172.780 172.902 -0.122 18281 3015 1 4 . 1 1 103 103 THR CA C 103 62.150 62.150 61.972 0.178 18281 3016 1 4 . 1 1 103 103 THR CB C 103 71.750 71.750 71.743 0.007 18281 3017 1 4 . 1 1 103 103 THR H H 103 9.550 9.550 9.358 0.192 18281 3018 1 4 . 1 1 104 104 LYS N N 104 126.990 126.990 127.147 -0.157 18281 3019 1 4 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.891 0.349 18281 3020 1 4 . 1 1 104 104 LYS C C 104 174.300 174.300 174.183 0.117 18281 3021 1 4 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.043 0.287 18281 3022 1 4 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.242 -0.302 18281 3023 1 4 . 1 1 104 104 LYS H H 104 9.430 9.430 9.142 0.288 18281 3024 1 4 . 1 1 105 105 LEU N N 105 124.700 124.700 127.120 -2.420 18281 3025 1 4 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.617 0.593 18281 3026 1 4 . 1 1 105 105 LEU C C 105 175.780 175.780 175.762 0.018 18281 3027 1 4 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.790 0.830 18281 3028 1 4 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.343 0.607 18281 3029 1 4 . 1 1 105 105 LEU H H 105 8.410 8.410 8.399 0.011 18281 3030 1 4 . 1 1 106 106 VAL N N 106 123.290 123.290 123.501 -0.211 18281 3031 1 4 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.314 0.116 18281 3032 1 4 . 1 1 106 106 VAL C C 106 175.560 175.560 174.490 1.070 18281 3033 1 4 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.586 -0.116 18281 3034 1 4 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.748 -0.728 18281 3035 1 4 . 1 1 106 106 VAL H H 106 9.180 9.180 9.075 0.105 18281 3036 1 4 . 1 1 107 107 SER N N 107 121.800 121.800 119.350 2.450 18281 3037 1 4 . 1 1 107 107 SER HA H 107 4.660 4.660 4.608 0.052 18281 3038 1 4 . 1 1 107 107 SER C C 107 173.600 173.600 173.302 0.298 18281 3039 1 4 . 1 1 107 107 SER CA C 107 59.860 59.860 57.539 2.321 18281 3040 1 4 . 1 1 107 107 SER CB C 107 63.250 63.250 65.000 -1.750 18281 3041 1 4 . 1 1 107 107 SER H H 107 8.910 8.910 8.340 0.570 18281 3042 1 4 . 1 1 108 108 ALA N N 108 129.210 129.210 125.377 3.833 18281 3043 1 4 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.971 -0.341 18281 3044 1 4 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.771 0.849 18281 3045 1 4 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.678 0.122 18281 3046 1 4 . 1 1 108 108 ALA H H 108 8.310 8.310 8.305 0.005 18281 3047 1 4 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.281 0.139 18281 3048 1 4 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.828 -1.128 18281 3049 1 4 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.482 0.718 18281 3050 1 4 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.472 0.298 18281 3051 1 4 . 1 1 110 110 HIS C C 110 175.760 175.760 175.909 -0.149 18281 3052 1 4 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.646 -1.256 18281 3053 1 4 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.196 -0.786 18281 3054 1 4 . 1 1 111 111 GLY N N 111 108.720 108.720 107.915 0.805 18281 3055 1 4 . 1 1 111 111 GLY C C 111 174.390 174.390 174.198 0.192 18281 3056 1 4 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.067 0.063 18281 3057 1 4 . 1 1 111 111 GLY H H 111 7.730 7.730 7.910 -0.180 18281 3058 1 4 . 1 1 112 112 GLY N N 112 107.670 107.670 108.760 -1.090 18281 3059 1 4 . 1 1 112 112 GLY C C 112 174.150 174.150 173.107 1.043 18281 3060 1 4 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.235 0.185 18281 3061 1 4 . 1 1 112 112 GLY H H 112 7.600 7.600 7.918 -0.318 18281 3062 1 4 . 1 1 113 113 THR N N 113 119.830 119.830 116.299 3.531 18281 3063 1 4 . 1 1 113 113 THR HA H 113 5.060 5.060 4.636 0.424 18281 3064 1 4 . 1 1 113 113 THR C C 113 173.250 173.250 173.461 -0.211 18281 3065 1 4 . 1 1 113 113 THR CA C 113 62.990 62.990 61.804 1.185 18281 3066 1 4 . 1 1 113 113 THR CB C 113 72.270 72.270 70.430 1.840 18281 3067 1 4 . 1 1 113 113 THR H H 113 9.070 9.070 7.931 1.139 18281 3068 1 4 . 1 1 114 114 ILE N N 114 127.600 127.600 128.060 -0.460 18281 3069 1 4 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.145 0.365 18281 3070 1 4 . 1 1 114 114 ILE C C 114 174.370 174.370 174.301 0.069 18281 3071 1 4 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.085 0.075 18281 3072 1 4 . 1 1 114 114 ILE CB C 114 39.970 39.970 38.739 1.230 18281 3073 1 4 . 1 1 114 114 ILE H H 114 9.490 9.490 9.115 0.375 18281 3074 1 4 . 1 1 115 115 ILE N N 115 129.200 129.200 128.581 0.619 18281 3075 1 4 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.798 -0.298 18281 3076 1 4 . 1 1 115 115 ILE C C 115 175.000 175.000 174.919 0.081 18281 3077 1 4 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.883 1.517 18281 3078 1 4 . 1 1 115 115 ILE CB C 115 38.000 38.000 39.977 -1.977 18281 3079 1 4 . 1 1 115 115 ILE H H 115 9.220 9.220 9.298 -0.078 18281 3080 1 4 . 1 1 116 116 LYS N N 116 127.550 127.550 128.756 -1.206 18281 3081 1 4 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.204 -0.034 18281 3082 1 4 . 1 1 116 116 LYS C C 116 176.300 176.300 175.691 0.609 18281 3083 1 4 . 1 1 116 116 LYS CA C 116 55.370 55.370 55.218 0.152 18281 3084 1 4 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.571 0.009 18281 3085 1 4 . 1 1 116 116 LYS H H 116 9.130 9.130 8.750 0.380 18281 3086 1 4 . 1 1 117 117 THR N N 117 120.940 120.940 122.618 -1.678 18281 3087 1 4 . 1 1 117 117 THR HA H 117 5.730 5.730 5.366 0.364 18281 3088 1 4 . 1 1 117 117 THR C C 117 174.620 174.620 173.924 0.696 18281 3089 1 4 . 1 1 117 117 THR CA C 117 60.990 60.990 61.278 -0.288 18281 3090 1 4 . 1 1 117 117 THR CB C 117 71.750 71.750 71.275 0.475 18281 3091 1 4 . 1 1 117 117 THR H H 117 9.020 9.020 9.213 -0.193 18281 3092 1 4 . 1 1 118 118 THR N N 118 125.750 125.750 124.272 1.478 18281 3093 1 4 . 1 1 118 118 THR HA H 118 5.170 5.170 5.312 -0.142 18281 3094 1 4 . 1 1 118 118 THR C C 118 173.760 173.760 173.217 0.543 18281 3095 1 4 . 1 1 118 118 THR CA C 118 61.800 61.800 61.604 0.196 18281 3096 1 4 . 1 1 118 118 THR CB C 118 70.720 70.720 70.676 0.044 18281 3097 1 4 . 1 1 118 118 THR H H 118 9.500 9.500 8.773 0.727 18281 3098 1 4 . 1 1 119 119 SER N N 119 122.250 122.250 118.822 3.428 18281 3099 1 4 . 1 1 119 119 SER HA H 119 5.270 5.270 4.967 0.303 18281 3100 1 4 . 1 1 119 119 SER C C 119 172.960 172.960 172.164 0.796 18281 3101 1 4 . 1 1 119 119 SER CA C 119 55.860 55.860 56.673 -0.813 18281 3102 1 4 . 1 1 119 119 SER CB C 119 66.720 66.720 65.542 1.178 18281 3103 1 4 . 1 1 119 119 SER H H 119 9.410 9.410 8.924 0.486 18281 3104 1 4 . 1 1 120 120 LYS N N 120 124.120 124.120 126.319 -2.199 18281 3105 1 4 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.456 0.784 18281 3106 1 4 . 1 1 120 120 LYS C C 120 174.780 174.780 173.596 1.184 18281 3107 1 4 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.615 -0.785 18281 3108 1 4 . 1 1 120 120 LYS CB C 120 36.160 36.160 35.827 0.334 18281 3109 1 4 . 1 1 120 120 LYS H H 120 9.150 9.150 7.540 1.610 18281 3110 1 4 . 1 1 121 121 TYR N N 121 126.500 126.500 123.123 3.377 18281 3111 1 4 . 1 1 121 121 TYR CA C 121 58.000 58.000 56.835 1.165 18281 3112 1 4 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.388 -0.188 18281 3113 1 4 . 1 1 121 121 TYR H H 121 9.800 9.800 8.493 1.307 18281 3114 1 4 . 1 1 122 122 HIS C C 122 174.670 174.670 175.145 -0.475 18281 3115 1 4 . 1 1 123 123 THR N N 123 125.750 125.750 113.107 12.643 18281 3116 1 4 . 1 1 123 123 THR HA H 123 5.400 5.400 4.590 0.810 18281 3117 1 4 . 1 1 123 123 THR C C 123 174.460 174.460 173.962 0.498 18281 3118 1 4 . 1 1 123 123 THR CA C 123 60.230 60.230 60.225 0.005 18281 3119 1 4 . 1 1 123 123 THR CB C 123 71.260 71.260 71.256 0.004 18281 3120 1 4 . 1 1 123 123 THR H H 123 8.920 8.920 8.374 0.546 18281 3121 1 4 . 1 1 124 124 LYS N N 124 121.170 121.170 124.167 -2.997 18281 3122 1 4 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.279 0.481 18281 3123 1 4 . 1 1 124 124 LYS C C 124 176.450 176.450 177.158 -0.708 18281 3124 1 4 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.966 -3.456 18281 3125 1 4 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.820 1.080 18281 3126 1 4 . 1 1 124 124 LYS H H 124 8.590 8.590 8.362 0.228 18281 3127 1 4 . 1 1 125 125 GLY N N 125 110.070 110.070 105.059 5.011 18281 3128 1 4 . 1 1 125 125 GLY C C 125 173.620 173.620 174.113 -0.493 18281 3129 1 4 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.641 -0.370 18281 3130 1 4 . 1 1 125 125 GLY H H 125 8.390 8.390 8.769 -0.379 18281 3131 1 4 . 1 1 126 126 ASP N N 126 120.070 120.070 118.684 1.386 18281 3132 1 4 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.737 -0.067 18281 3133 1 4 . 1 1 126 126 ASP C C 126 175.580 175.580 176.804 -1.224 18281 3134 1 4 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.339 0.951 18281 3135 1 4 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.365 -0.006 18281 3136 1 4 . 1 1 126 126 ASP H H 126 8.440 8.440 8.031 0.409 18281 3137 1 4 . 1 1 127 127 VAL N N 127 119.620 119.620 120.392 -0.772 18281 3138 1 4 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.682 0.558 18281 3139 1 4 . 1 1 127 127 VAL C C 127 174.610 174.610 175.475 -0.865 18281 3140 1 4 . 1 1 127 127 VAL CA C 127 61.230 61.230 64.739 -3.509 18281 3141 1 4 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.165 2.085 18281 3142 1 4 . 1 1 127 127 VAL H H 127 7.620 7.620 8.114 -0.494 18281 3143 1 4 . 1 1 128 128 GLU N N 128 125.030 125.030 115.264 9.766 18281 3144 1 4 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.138 -0.008 18281 3145 1 4 . 1 1 128 128 GLU C C 128 175.680 175.680 175.039 0.641 18281 3146 1 4 . 1 1 128 128 GLU CA C 128 55.540 55.540 57.142 -1.602 18281 3147 1 4 . 1 1 128 128 GLU CB C 128 30.790 30.790 29.766 1.024 18281 3148 1 4 . 1 1 128 128 GLU H H 128 8.330 8.330 8.059 0.271 18281 3149 1 4 . 1 1 129 129 ILE N N 129 124.070 124.070 121.192 2.878 18281 3150 1 4 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.347 -0.387 18281 3151 1 4 . 1 1 129 129 ILE C C 129 175.960 175.960 174.439 1.521 18281 3152 1 4 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.377 -0.027 18281 3153 1 4 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.945 -4.265 18281 3154 1 4 . 1 1 129 129 ILE H H 129 7.380 7.380 8.124 -0.744 18281 3155 1 4 . 1 1 130 130 LYS N N 130 127.800 127.800 123.085 4.715 18281 3156 1 4 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.472 -0.192 18281 3157 1 4 . 1 1 130 130 LYS C C 130 177.660 177.660 176.636 1.024 18281 3158 1 4 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.020 0.830 18281 3159 1 4 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.260 -0.450 18281 3160 1 4 . 1 1 130 130 LYS H H 130 8.790 8.790 8.618 0.172 18281 3161 1 4 . 1 1 131 131 GLU N N 131 125.060 125.060 127.345 -2.285 18281 3162 1 4 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.848 -0.038 18281 3163 1 4 . 1 1 131 131 GLU C C 131 178.630 178.630 178.054 0.576 18281 3164 1 4 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.207 -0.697 18281 3165 1 4 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.673 -0.373 18281 3166 1 4 . 1 1 131 131 GLU H H 131 8.880 8.880 9.130 -0.250 18281 3167 1 4 . 1 1 132 132 GLU N N 132 117.220 117.220 116.795 0.425 18281 3168 1 4 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.003 -0.023 18281 3169 1 4 . 1 1 132 132 GLU C C 132 178.630 178.630 179.050 -0.420 18281 3170 1 4 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.282 0.328 18281 3171 1 4 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.162 -0.182 18281 3172 1 4 . 1 1 132 132 GLU H H 132 9.200 9.200 8.881 0.319 18281 3173 1 4 . 1 1 133 133 HIS N N 133 119.810 119.810 119.095 0.715 18281 3174 1 4 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.291 0.179 18281 3175 1 4 . 1 1 133 133 HIS C C 133 178.430 178.430 177.932 0.498 18281 3176 1 4 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.354 0.776 18281 3177 1 4 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.893 1.427 18281 3178 1 4 . 1 1 133 133 HIS H H 133 7.500 7.500 7.513 -0.013 18281 3179 1 4 . 1 1 134 134 VAL N N 134 120.370 120.370 119.413 0.957 18281 3180 1 4 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.489 0.161 18281 3181 1 4 . 1 1 134 134 VAL C C 134 179.170 179.170 177.287 1.883 18281 3182 1 4 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.894 -0.714 18281 3183 1 4 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.880 0.830 18281 3184 1 4 . 1 1 134 134 VAL H H 134 7.290 7.290 7.933 -0.643 18281 3185 1 4 . 1 1 135 135 LYS N N 135 121.310 121.310 120.201 1.109 18281 3186 1 4 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.916 0.044 18281 3187 1 4 . 1 1 135 135 LYS C C 135 178.310 178.310 178.464 -0.154 18281 3188 1 4 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.716 -0.386 18281 3189 1 4 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.383 -0.203 18281 3190 1 4 . 1 1 135 135 LYS H H 135 8.310 8.310 8.296 0.014 18281 3191 1 4 . 1 1 136 136 ALA N N 136 121.150 121.150 120.603 0.547 18281 3192 1 4 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.152 0.078 18281 3193 1 4 . 1 1 136 136 ALA C C 136 180.930 180.930 179.529 1.401 18281 3194 1 4 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.976 0.044 18281 3195 1 4 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.294 -0.544 18281 3196 1 4 . 1 1 136 136 ALA H H 136 7.950 7.950 7.875 0.075 18281 3197 1 4 . 1 1 137 137 GLY N N 137 105.640 105.640 106.732 -1.092 18281 3198 1 4 . 1 1 137 137 GLY C C 137 177.000 177.000 176.091 0.909 18281 3199 1 4 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.952 0.208 18281 3200 1 4 . 1 1 137 137 GLY H H 137 7.930 7.930 7.912 0.018 18281 3201 1 4 . 1 1 138 138 LYS N N 138 124.210 124.210 122.576 1.634 18281 3202 1 4 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.133 0.097 18281 3203 1 4 . 1 1 138 138 LYS C C 138 178.860 178.860 178.900 -0.040 18281 3204 1 4 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.876 -0.086 18281 3205 1 4 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.596 0.074 18281 3206 1 4 . 1 1 138 138 LYS H H 138 7.960 7.960 7.812 0.148 18281 3207 1 4 . 1 1 139 139 GLU N N 139 119.720 119.720 119.039 0.681 18281 3208 1 4 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.026 0.114 18281 3209 1 4 . 1 1 139 139 GLU C C 139 179.710 179.710 178.860 0.850 18281 3210 1 4 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.479 -0.299 18281 3211 1 4 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.539 -0.239 18281 3212 1 4 . 1 1 139 139 GLU H H 139 8.370 8.370 8.040 0.330 18281 3213 1 4 . 1 1 140 140 LYS N N 140 120.270 120.270 120.233 0.037 18281 3214 1 4 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.924 0.186 18281 3215 1 4 . 1 1 140 140 LYS C C 140 179.210 179.210 178.863 0.347 18281 3216 1 4 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.793 -0.183 18281 3217 1 4 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.474 -0.094 18281 3218 1 4 . 1 1 140 140 LYS H H 140 8.140 8.140 8.259 -0.119 18281 3219 1 4 . 1 1 141 141 ALA N N 141 121.910 121.910 120.852 1.058 18281 3220 1 4 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.119 -0.079 18281 3221 1 4 . 1 1 141 141 ALA C C 141 179.530 179.530 179.654 -0.124 18281 3222 1 4 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.053 -0.033 18281 3223 1 4 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.316 0.064 18281 3224 1 4 . 1 1 141 141 ALA H H 141 7.730 7.730 7.818 -0.088 18281 3225 1 4 . 1 1 142 142 ALA N N 142 120.440 120.440 120.733 -0.293 18281 3226 1 4 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.941 -0.061 18281 3227 1 4 . 1 1 142 142 ALA C C 142 180.080 180.080 179.682 0.398 18281 3228 1 4 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.923 -0.023 18281 3229 1 4 . 1 1 142 142 ALA CB C 142 18.230 18.230 17.978 0.252 18281 3230 1 4 . 1 1 142 142 ALA H H 142 8.280 8.280 7.943 0.337 18281 3231 1 4 . 1 1 143 143 HIS N N 143 118.280 118.280 117.903 0.377 18281 3232 1 4 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.412 -0.062 18281 3233 1 4 . 1 1 143 143 HIS C C 143 177.350 177.350 177.184 0.166 18281 3234 1 4 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.543 -0.113 18281 3235 1 4 . 1 1 143 143 HIS CB C 143 30.750 30.750 30.226 0.524 18281 3236 1 4 . 1 1 143 143 HIS H H 143 8.030 8.030 8.063 -0.033 18281 3237 1 4 . 1 1 144 144 LEU N N 144 118.820 118.820 119.791 -0.971 18281 3238 1 4 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.910 0.000 18281 3239 1 4 . 1 1 144 144 LEU C C 144 179.040 179.040 178.722 0.318 18281 3240 1 4 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.532 0.548 18281 3241 1 4 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.601 -0.641 18281 3242 1 4 . 1 1 144 144 LEU H H 144 7.700 7.700 7.617 0.083 18281 3243 1 4 . 1 1 145 145 PHE N N 145 116.920 116.920 117.729 -0.809 18281 3244 1 4 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.062 -0.062 18281 3245 1 4 . 1 1 145 145 PHE C C 145 177.900 177.900 177.829 0.071 18281 3246 1 4 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.569 -0.419 18281 3247 1 4 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.827 -0.077 18281 3248 1 4 . 1 1 145 145 PHE H H 145 8.100 8.100 7.886 0.213 18281 3249 1 4 . 1 1 146 146 LYS N N 146 119.710 119.710 118.705 1.005 18281 3250 1 4 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.997 0.133 18281 3251 1 4 . 1 1 146 146 LYS C C 146 177.750 177.750 178.599 -0.849 18281 3252 1 4 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.892 -0.991 18281 3253 1 4 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.104 0.176 18281 3254 1 4 . 1 1 146 146 LYS H H 146 8.040 8.040 7.464 0.576 18281 3255 1 4 . 1 1 147 147 LEU N N 147 118.970 118.970 120.155 -1.185 18281 3256 1 4 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.828 0.172 18281 3257 1 4 . 1 1 147 147 LEU C C 147 180.460 180.460 178.793 1.667 18281 3258 1 4 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.416 0.054 18281 3259 1 4 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.712 0.688 18281 3260 1 4 . 1 1 147 147 LEU H H 147 7.960 7.960 7.273 0.687 18281 3261 1 4 . 1 1 148 148 ILE N N 148 121.410 121.410 120.072 1.338 18281 3262 1 4 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.701 -0.161 18281 3263 1 4 . 1 1 148 148 ILE C C 148 177.030 177.030 178.310 -1.280 18281 3264 1 4 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.712 -0.312 18281 3265 1 4 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.590 0.099 18281 3266 1 4 . 1 1 148 148 ILE H H 148 8.200 8.200 8.089 0.111 18281 3267 1 4 . 1 1 149 149 GLU N N 149 120.450 120.450 118.459 1.991 18281 3268 1 4 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.144 -0.464 18281 3269 1 4 . 1 1 149 149 GLU C C 149 178.540 178.540 179.378 -0.838 18281 3270 1 4 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.058 1.262 18281 3271 1 4 . 1 1 149 149 GLU CB C 149 28.830 28.830 28.767 0.063 18281 3272 1 4 . 1 1 149 149 GLU H H 149 8.680 8.680 8.052 0.628 18281 3273 1 4 . 1 1 150 150 GLY N N 150 104.450 104.450 108.980 -4.530 18281 3274 1 4 . 1 1 150 150 GLY C C 150 175.670 175.670 176.345 -0.675 18281 3275 1 4 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.314 -0.064 18281 3276 1 4 . 1 1 150 150 GLY H H 150 8.180 8.180 8.108 0.072 18281 3277 1 4 . 1 1 151 151 TYR N N 151 122.120 122.120 122.313 -0.193 18281 3278 1 4 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.247 0.133 18281 3279 1 4 . 1 1 151 151 TYR C C 151 179.360 179.360 178.708 0.652 18281 3280 1 4 . 1 1 151 151 TYR CA C 151 62.320 62.320 60.808 1.512 18281 3281 1 4 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.705 -1.315 18281 3282 1 4 . 1 1 151 151 TYR H H 151 7.910 7.910 7.769 0.141 18281 3283 1 4 . 1 1 152 152 LEU N N 152 120.020 120.020 118.168 1.852 18281 3284 1 4 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.749 0.281 18281 3285 1 4 . 1 1 152 152 LEU C C 152 180.320 180.320 178.346 1.974 18281 3286 1 4 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.459 0.301 18281 3287 1 4 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.617 -0.617 18281 3288 1 4 . 1 1 152 152 LEU H H 152 8.630 8.630 7.714 0.916 18281 3289 1 4 . 1 1 153 153 LYS N N 153 119.730 119.730 117.635 2.095 18281 3290 1 4 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.973 -0.003 18281 3291 1 4 . 1 1 153 153 LYS C C 153 178.150 178.150 178.461 -0.311 18281 3292 1 4 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.091 0.309 18281 3293 1 4 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.624 -0.274 18281 3294 1 4 . 1 1 153 153 LYS H H 153 8.260 8.260 8.283 -0.023 18281 3295 1 4 . 1 1 154 154 ASP N N 154 117.020 117.020 117.056 -0.036 18281 3296 1 4 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.527 -0.527 18281 3297 1 4 . 1 1 154 154 ASP C C 154 175.660 175.660 176.867 -1.207 18281 3298 1 4 . 1 1 154 154 ASP CA C 154 55.030 55.030 56.172 -1.142 18281 3299 1 4 . 1 1 154 154 ASP H H 154 7.560 7.560 7.981 -0.421 18281 3300 1 4 . 1 1 155 155 HIS N N 155 117.160 117.160 118.705 -1.545 18281 3301 1 4 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.305 0.595 18281 3302 1 4 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.057 -0.907 18281 3303 1 4 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.460 -1.470 18281 3304 1 4 . 1 1 155 155 HIS H H 155 7.430 7.430 7.794 -0.364 18281 3305 1 5 . 1 1 3 3 VAL N N 3 119.910 119.910 120.287 -0.377 18281 3306 1 5 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.153 0.767 18281 3307 1 5 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.746 -0.726 18281 3308 1 5 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.396 0.734 18281 3309 1 5 . 1 1 3 3 VAL H H 3 7.630 7.630 7.900 -0.270 18281 3310 1 5 . 1 1 4 4 TYR N N 4 119.930 119.930 124.900 -4.970 18281 3311 1 5 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.624 0.046 18281 3312 1 5 . 1 1 4 4 TYR C C 4 174.670 174.670 174.869 -0.199 18281 3313 1 5 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.730 0.740 18281 3314 1 5 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.733 0.537 18281 3315 1 5 . 1 1 4 4 TYR H H 4 8.660 8.660 8.526 0.134 18281 3316 1 5 . 1 1 5 5 THR N N 5 119.930 119.930 118.859 1.071 18281 3317 1 5 . 1 1 5 5 THR HA H 5 5.290 5.290 4.845 0.445 18281 3318 1 5 . 1 1 5 5 THR C C 5 173.180 173.180 173.322 -0.142 18281 3319 1 5 . 1 1 5 5 THR CA C 5 61.780 61.780 61.268 0.512 18281 3320 1 5 . 1 1 5 5 THR CB C 5 70.360 70.360 69.996 0.364 18281 3321 1 5 . 1 1 5 5 THR H H 5 8.230 8.230 8.236 -0.006 18281 3322 1 5 . 1 1 6 6 TYR N N 6 125.060 125.060 125.295 -0.235 18281 3323 1 5 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.783 0.507 18281 3324 1 5 . 1 1 6 6 TYR C C 6 174.380 174.380 174.395 -0.015 18281 3325 1 5 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.824 0.286 18281 3326 1 5 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.360 0.490 18281 3327 1 5 . 1 1 6 6 TYR H H 6 9.210 9.210 8.451 0.759 18281 3328 1 5 . 1 1 7 7 GLU N N 7 122.360 122.360 123.441 -1.081 18281 3329 1 5 . 1 1 7 7 GLU HA H 7 5.360 5.360 5.108 0.252 18281 3330 1 5 . 1 1 7 7 GLU C C 7 175.390 175.390 175.555 -0.165 18281 3331 1 5 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.694 0.286 18281 3332 1 5 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.712 0.338 18281 3333 1 5 . 1 1 7 7 GLU H H 7 8.830 8.830 8.818 0.012 18281 3334 1 5 . 1 1 8 8 ASN N N 8 119.960 119.960 125.241 -5.281 18281 3335 1 5 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.107 -0.007 18281 3336 1 5 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.202 0.418 18281 3337 1 5 . 1 1 8 8 ASN CB C 8 43.210 43.210 42.098 1.112 18281 3338 1 5 . 1 1 8 8 ASN H H 8 8.800 8.800 9.202 -0.402 18281 3339 1 5 . 1 1 9 9 GLU N N 9 121.420 121.420 125.129 -3.709 18281 3340 1 5 . 1 1 9 9 GLU HA H 9 5.600 5.600 5.062 0.538 18281 3341 1 5 . 1 1 9 9 GLU C C 9 174.590 174.590 175.106 -0.516 18281 3342 1 5 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.346 -0.576 18281 3343 1 5 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.636 2.114 18281 3344 1 5 . 1 1 9 9 GLU H H 9 8.330 8.330 8.722 -0.392 18281 3345 1 5 . 1 1 10 10 PHE N N 10 121.240 121.240 124.918 -3.678 18281 3346 1 5 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.781 0.239 18281 3347 1 5 . 1 1 10 10 PHE C C 10 173.880 173.880 173.551 0.329 18281 3348 1 5 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.296 -1.746 18281 3349 1 5 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.949 -1.479 18281 3350 1 5 . 1 1 10 10 PHE H H 10 8.760 8.760 9.191 -0.431 18281 3351 1 5 . 1 1 11 11 THR N N 11 113.110 113.110 117.502 -4.392 18281 3352 1 5 . 1 1 11 11 THR HA H 11 5.170 5.170 5.226 -0.056 18281 3353 1 5 . 1 1 11 11 THR C C 11 173.530 173.530 173.510 0.020 18281 3354 1 5 . 1 1 11 11 THR CA C 11 60.940 60.940 59.957 0.983 18281 3355 1 5 . 1 1 11 11 THR CB C 11 71.260 71.260 70.852 0.408 18281 3356 1 5 . 1 1 11 11 THR H H 11 8.470 8.470 7.523 0.947 18281 3357 1 5 . 1 1 12 12 SER N N 12 115.490 115.490 117.069 -1.579 18281 3358 1 5 . 1 1 12 12 SER C C 12 173.530 173.530 172.547 0.983 18281 3359 1 5 . 1 1 12 12 SER CA C 12 56.460 56.460 57.126 -0.666 18281 3360 1 5 . 1 1 12 12 SER CB C 12 66.320 66.320 66.364 -0.044 18281 3361 1 5 . 1 1 12 12 SER H H 12 8.870 8.870 8.877 -0.007 18281 3362 1 5 . 1 1 13 13 ASP N N 13 126.650 126.650 121.927 4.723 18281 3363 1 5 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.547 0.193 18281 3364 1 5 . 1 1 13 13 ASP C C 13 174.520 174.520 176.777 -2.257 18281 3365 1 5 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.524 0.506 18281 3366 1 5 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.565 -0.565 18281 3367 1 5 . 1 1 13 13 ASP H H 13 9.060 9.060 8.721 0.339 18281 3368 1 5 . 1 1 14 14 ILE N N 14 123.580 123.580 116.157 7.423 18281 3369 1 5 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.987 0.363 18281 3370 1 5 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.404 -4.014 18281 3371 1 5 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.460 -0.120 18281 3372 1 5 . 1 1 14 14 ILE H H 14 8.470 8.470 8.271 0.199 18281 3373 1 5 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.688 -0.248 18281 3374 1 5 . 1 1 15 15 PRO C C 15 177.130 177.130 177.966 -0.836 18281 3375 1 5 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.549 0.521 18281 3376 1 5 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.509 0.941 18281 3377 1 5 . 1 1 16 16 ALA N N 16 126.780 126.780 125.940 0.840 18281 3378 1 5 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.995 0.005 18281 3379 1 5 . 1 1 16 16 ALA CA C 16 57.100 57.100 56.994 0.106 18281 3380 1 5 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.078 0.222 18281 3381 1 5 . 1 1 16 16 ALA H H 16 8.570 8.570 8.556 0.014 18281 3382 1 5 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.391 -0.491 18281 3383 1 5 . 1 1 17 17 PRO C C 17 179.610 179.610 179.196 0.414 18281 3384 1 5 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.493 0.517 18281 3385 1 5 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.188 -0.288 18281 3386 1 5 . 1 1 18 18 LYS N N 18 116.630 116.630 118.843 -2.213 18281 3387 1 5 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.181 -0.041 18281 3388 1 5 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.563 -0.293 18281 3389 1 5 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.871 0.449 18281 3390 1 5 . 1 1 18 18 LYS H H 18 6.710 6.710 8.035 -1.325 18281 3391 1 5 . 1 1 19 19 LEU N N 19 118.930 118.930 120.479 -1.549 18281 3392 1 5 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.224 -0.384 18281 3393 1 5 . 1 1 19 19 LEU C C 19 178.380 178.380 178.257 0.123 18281 3394 1 5 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.771 0.659 18281 3395 1 5 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.854 0.236 18281 3396 1 5 . 1 1 19 19 LEU H H 19 7.950 7.950 8.342 -0.392 18281 3397 1 5 . 1 1 20 20 PHE N N 20 118.660 118.660 120.620 -1.960 18281 3398 1 5 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.083 -0.233 18281 3399 1 5 . 1 1 20 20 PHE C C 20 177.680 177.680 177.166 0.514 18281 3400 1 5 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.399 0.481 18281 3401 1 5 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.101 0.319 18281 3402 1 5 . 1 1 20 20 PHE H H 20 9.040 9.040 8.607 0.433 18281 3403 1 5 . 1 1 21 21 LYS N N 21 118.430 118.430 118.845 -0.415 18281 3404 1 5 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.911 -0.141 18281 3405 1 5 . 1 1 21 21 LYS C C 21 176.400 176.400 178.771 -2.371 18281 3406 1 5 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.903 0.257 18281 3407 1 5 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.333 0.667 18281 3408 1 5 . 1 1 21 21 LYS H H 21 7.630 7.630 8.130 -0.500 18281 3409 1 5 . 1 1 22 22 ALA N N 22 118.710 118.710 120.188 -1.478 18281 3410 1 5 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.439 0.331 18281 3411 1 5 . 1 1 22 22 ALA C C 22 175.450 175.450 179.051 -3.601 18281 3412 1 5 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.169 1.371 18281 3413 1 5 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.155 2.045 18281 3414 1 5 . 1 1 22 22 ALA H H 22 7.390 7.390 7.636 -0.246 18281 3415 1 5 . 1 1 23 23 PHE N N 23 109.720 109.720 117.670 -7.950 18281 3416 1 5 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.136 0.104 18281 3417 1 5 . 1 1 23 23 PHE C C 23 174.130 174.130 175.578 -1.448 18281 3418 1 5 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.372 -2.052 18281 3419 1 5 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.256 0.184 18281 3420 1 5 . 1 1 23 23 PHE H H 23 8.400 8.400 7.788 0.612 18281 3421 1 5 . 1 1 24 24 VAL N N 24 113.250 113.250 111.925 1.325 18281 3422 1 5 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.517 -0.197 18281 3423 1 5 . 1 1 24 24 VAL C C 24 177.660 177.660 176.442 1.218 18281 3424 1 5 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.702 0.798 18281 3425 1 5 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.887 -2.007 18281 3426 1 5 . 1 1 24 24 VAL H H 24 7.220 7.220 7.460 -0.240 18281 3427 1 5 . 1 1 25 25 LEU N N 25 116.250 116.250 122.357 -6.107 18281 3428 1 5 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.039 -0.149 18281 3429 1 5 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.995 -0.085 18281 3430 1 5 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.152 -1.152 18281 3431 1 5 . 1 1 25 25 LEU H H 25 7.180 7.180 8.195 -1.015 18281 3432 1 5 . 1 1 26 26 ASP N N 26 117.160 117.160 116.298 0.862 18281 3433 1 5 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.538 0.762 18281 3434 1 5 . 1 1 26 26 ASP C C 26 177.300 177.300 176.936 0.364 18281 3435 1 5 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.697 -0.527 18281 3436 1 5 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.626 3.294 18281 3437 1 5 . 1 1 26 26 ASP H H 26 8.070 8.070 7.737 0.333 18281 3438 1 5 . 1 1 27 27 ALA N N 27 123.040 123.040 122.141 0.899 18281 3439 1 5 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.836 -0.076 18281 3440 1 5 . 1 1 27 27 ALA C C 27 178.900 178.900 179.049 -0.149 18281 3441 1 5 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.552 1.488 18281 3442 1 5 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.577 0.853 18281 3443 1 5 . 1 1 27 27 ALA H H 27 6.360 6.360 7.005 -0.645 18281 3444 1 5 . 1 1 28 28 ASP N N 28 115.060 115.060 118.301 -3.241 18281 3445 1 5 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.161 -0.181 18281 3446 1 5 . 1 1 28 28 ASP C C 28 175.850 175.850 177.048 -1.198 18281 3447 1 5 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.381 -1.841 18281 3448 1 5 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.170 -0.530 18281 3449 1 5 . 1 1 28 28 ASP H H 28 8.290 8.290 8.336 -0.046 18281 3450 1 5 . 1 1 29 29 ASN N N 29 113.110 113.110 115.461 -2.351 18281 3451 1 5 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.648 0.082 18281 3452 1 5 . 1 1 29 29 ASN C C 29 176.430 176.430 177.329 -0.899 18281 3453 1 5 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.189 -0.579 18281 3454 1 5 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.253 1.007 18281 3455 1 5 . 1 1 29 29 ASN H H 29 7.360 7.360 7.424 -0.064 18281 3456 1 5 . 1 1 30 30 LEU N N 30 120.630 120.630 122.228 -1.598 18281 3457 1 5 . 1 1 30 30 LEU HA H 30 4.020 4.020 4.124 -0.104 18281 3458 1 5 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.411 0.389 18281 3459 1 5 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.365 1.415 18281 3460 1 5 . 1 1 30 30 LEU H H 30 8.320 8.320 8.540 -0.220 18281 3461 1 5 . 1 1 31 31 ILE N N 31 116.170 116.170 119.593 -3.423 18281 3462 1 5 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.616 0.034 18281 3463 1 5 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.423 -0.623 18281 3464 1 5 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.212 -1.302 18281 3465 1 5 . 1 1 31 31 ILE H H 31 8.140 8.140 8.377 -0.237 18281 3466 1 5 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.201 0.319 18281 3467 1 5 . 1 1 32 32 PRO C C 32 177.680 177.680 177.763 -0.083 18281 3468 1 5 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.428 1.092 18281 3469 1 5 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.172 0.348 18281 3470 1 5 . 1 1 33 33 LYS N N 33 112.410 112.410 117.691 -5.281 18281 3471 1 5 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.102 0.048 18281 3472 1 5 . 1 1 33 33 LYS C C 33 178.220 178.220 178.878 -0.658 18281 3473 1 5 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.549 0.741 18281 3474 1 5 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.896 1.014 18281 3475 1 5 . 1 1 33 33 LYS H H 33 6.880 6.880 7.423 -0.543 18281 3476 1 5 . 1 1 34 34 ILE N N 34 112.260 112.260 117.100 -4.840 18281 3477 1 5 . 1 1 34 34 ILE HA H 34 4.320 4.320 4.122 0.198 18281 3478 1 5 . 1 1 34 34 ILE C C 34 175.920 175.920 176.835 -0.915 18281 3479 1 5 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.850 -2.030 18281 3480 1 5 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.501 0.849 18281 3481 1 5 . 1 1 34 34 ILE H H 34 7.560 7.560 7.535 0.025 18281 3482 1 5 . 1 1 35 35 ALA N N 35 124.420 124.420 120.356 4.064 18281 3483 1 5 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.798 0.172 18281 3484 1 5 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.280 0.080 18281 3485 1 5 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.915 0.345 18281 3486 1 5 . 1 1 35 35 ALA H H 35 8.820 8.820 7.413 1.407 18281 3487 1 5 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.326 0.404 18281 3488 1 5 . 1 1 36 36 PRO C C 36 177.890 177.890 177.886 0.004 18281 3489 1 5 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.689 -0.449 18281 3490 1 5 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.507 -0.827 18281 3491 1 5 . 1 1 37 37 GLN N N 37 115.580 115.580 118.475 -2.895 18281 3492 1 5 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.160 0.090 18281 3493 1 5 . 1 1 37 37 GLN C C 37 177.740 177.740 176.803 0.937 18281 3494 1 5 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.080 -0.770 18281 3495 1 5 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.856 -0.336 18281 3496 1 5 . 1 1 37 37 GLN H H 37 8.660 8.660 8.397 0.263 18281 3497 1 5 . 1 1 38 38 ALA N N 38 123.250 123.250 120.417 2.833 18281 3498 1 5 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.449 -0.059 18281 3499 1 5 . 1 1 38 38 ALA C C 38 177.850 177.850 177.493 0.357 18281 3500 1 5 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.514 -0.014 18281 3501 1 5 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.271 0.559 18281 3502 1 5 . 1 1 38 38 ALA H H 38 8.030 8.030 7.985 0.045 18281 3503 1 5 . 1 1 39 39 VAL N N 39 117.330 117.330 114.822 2.508 18281 3504 1 5 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.155 -0.025 18281 3505 1 5 . 1 1 39 39 VAL C C 39 172.750 172.750 174.259 -1.509 18281 3506 1 5 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.412 2.038 18281 3507 1 5 . 1 1 39 39 VAL CB C 39 32.630 32.630 35.067 -2.437 18281 3508 1 5 . 1 1 39 39 VAL H H 39 7.660 7.660 7.252 0.408 18281 3509 1 5 . 1 1 40 40 LYS N N 40 125.270 125.270 125.362 -0.092 18281 3510 1 5 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.228 0.232 18281 3511 1 5 . 1 1 40 40 LYS C C 40 177.240 177.240 176.189 1.051 18281 3512 1 5 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.145 -0.695 18281 3513 1 5 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.620 0.380 18281 3514 1 5 . 1 1 40 40 LYS H H 40 8.910 8.910 8.241 0.669 18281 3515 1 5 . 1 1 41 41 CYS N N 41 112.210 112.210 114.116 -1.906 18281 3516 1 5 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.553 0.007 18281 3517 1 5 . 1 1 41 41 CYS C C 41 170.900 170.900 172.619 -1.719 18281 3518 1 5 . 1 1 41 41 CYS CA C 41 57.020 57.020 57.643 -0.623 18281 3519 1 5 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.724 0.076 18281 3520 1 5 . 1 1 41 41 CYS H H 41 7.680 7.680 7.642 0.038 18281 3521 1 5 . 1 1 42 42 ALA N N 42 125.620 125.620 125.110 0.510 18281 3522 1 5 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.649 0.571 18281 3523 1 5 . 1 1 42 42 ALA C C 42 175.690 175.690 176.305 -0.615 18281 3524 1 5 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.201 -0.221 18281 3525 1 5 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.406 2.594 18281 3526 1 5 . 1 1 42 42 ALA H H 42 8.700 8.700 8.665 0.035 18281 3527 1 5 . 1 1 43 43 GLU N N 43 120.730 120.730 124.673 -3.943 18281 3528 1 5 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.626 0.034 18281 3529 1 5 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.533 -0.163 18281 3530 1 5 . 1 1 43 43 GLU CB C 43 34.120 34.120 32.801 1.319 18281 3531 1 5 . 1 1 43 43 GLU H H 43 8.810 8.810 8.820 -0.010 18281 3532 1 5 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.461 -0.421 18281 3533 1 5 . 1 1 44 44 ILE C C 44 176.190 176.190 176.225 -0.035 18281 3534 1 5 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.631 1.359 18281 3535 1 5 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.402 -0.622 18281 3536 1 5 . 1 1 45 45 LEU N N 45 129.030 129.030 128.840 0.190 18281 3537 1 5 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.184 0.266 18281 3538 1 5 . 1 1 45 45 LEU C C 45 177.270 177.270 177.259 0.011 18281 3539 1 5 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.435 -1.425 18281 3540 1 5 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.490 -0.010 18281 3541 1 5 . 1 1 45 45 LEU H H 45 9.090 9.090 8.781 0.309 18281 3542 1 5 . 1 1 46 46 GLU N N 46 116.640 116.640 113.938 2.702 18281 3543 1 5 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.539 0.071 18281 3544 1 5 . 1 1 46 46 GLU C C 46 174.840 174.840 176.230 -1.390 18281 3545 1 5 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.620 -0.010 18281 3546 1 5 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.295 0.275 18281 3547 1 5 . 1 1 46 46 GLU H H 46 7.700 7.700 7.526 0.174 18281 3548 1 5 . 1 1 47 47 GLY N N 47 110.230 110.230 110.056 0.174 18281 3549 1 5 . 1 1 47 47 GLY C C 47 173.630 173.630 173.847 -0.217 18281 3550 1 5 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.683 -1.003 18281 3551 1 5 . 1 1 47 47 GLY H H 47 8.620 8.620 8.693 -0.073 18281 3552 1 5 . 1 1 48 48 ASP N N 48 115.220 115.220 120.648 -5.428 18281 3553 1 5 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.357 0.413 18281 3554 1 5 . 1 1 48 48 ASP C C 48 177.340 177.340 175.902 1.438 18281 3555 1 5 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.847 -1.927 18281 3556 1 5 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.320 2.360 18281 3557 1 5 . 1 1 48 48 ASP H H 48 7.960 7.960 8.447 -0.487 18281 3558 1 5 . 1 1 49 49 GLY N N 49 110.900 110.900 103.448 7.452 18281 3559 1 5 . 1 1 49 49 GLY C C 49 174.750 174.750 173.862 0.888 18281 3560 1 5 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.177 0.133 18281 3561 1 5 . 1 1 49 49 GLY H H 49 8.750 8.750 8.488 0.262 18281 3562 1 5 . 1 1 50 50 GLY N N 50 107.020 107.020 107.784 -0.764 18281 3563 1 5 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.859 0.741 18281 3564 1 5 . 1 1 50 50 GLY H H 50 8.300 8.300 8.222 0.078 18281 3565 1 5 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.229 -0.269 18281 3566 1 5 . 1 1 51 51 PRO C C 51 176.780 176.780 177.842 -1.062 18281 3567 1 5 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.050 1.950 18281 3568 1 5 . 1 1 51 51 PRO CB C 51 31.870 31.870 32.002 -0.131 18281 3569 1 5 . 1 1 52 52 GLY N N 52 114.320 114.320 113.405 0.915 18281 3570 1 5 . 1 1 52 52 GLY C C 52 174.170 174.170 174.152 0.018 18281 3571 1 5 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.647 -0.967 18281 3572 1 5 . 1 1 52 52 GLY H H 52 9.240 9.240 8.748 0.492 18281 3573 1 5 . 1 1 53 53 THR N N 53 118.900 118.900 115.672 3.228 18281 3574 1 5 . 1 1 53 53 THR HA H 53 4.660 4.660 4.594 0.066 18281 3575 1 5 . 1 1 53 53 THR C C 53 173.510 173.510 174.199 -0.689 18281 3576 1 5 . 1 1 53 53 THR CA C 53 64.580 64.580 62.833 1.747 18281 3577 1 5 . 1 1 53 53 THR CB C 53 70.070 70.070 69.979 0.091 18281 3578 1 5 . 1 1 53 53 THR H H 53 7.910 7.910 7.406 0.504 18281 3579 1 5 . 1 1 54 54 ILE N N 54 124.830 124.830 125.947 -1.117 18281 3580 1 5 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.547 0.763 18281 3581 1 5 . 1 1 54 54 ILE C C 54 175.260 175.260 174.777 0.483 18281 3582 1 5 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.653 -0.783 18281 3583 1 5 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.575 -0.125 18281 3584 1 5 . 1 1 54 54 ILE H H 54 8.550 8.550 8.628 -0.078 18281 3585 1 5 . 1 1 55 55 LYS N N 55 126.970 126.970 126.498 0.472 18281 3586 1 5 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.213 0.087 18281 3587 1 5 . 1 1 55 55 LYS C C 55 173.950 173.950 175.394 -1.444 18281 3588 1 5 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.435 -0.605 18281 3589 1 5 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.012 0.718 18281 3590 1 5 . 1 1 55 55 LYS H H 55 9.400 9.400 9.265 0.135 18281 3591 1 5 . 1 1 56 56 LYS N N 56 124.220 124.220 124.464 -0.244 18281 3592 1 5 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.749 0.531 18281 3593 1 5 . 1 1 56 56 LYS C C 56 175.230 175.230 174.417 0.813 18281 3594 1 5 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.679 -0.889 18281 3595 1 5 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.945 0.115 18281 3596 1 5 . 1 1 56 56 LYS H H 56 9.360 9.360 9.217 0.143 18281 3597 1 5 . 1 1 57 57 ILE N N 57 132.380 132.380 128.672 3.708 18281 3598 1 5 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.393 0.247 18281 3599 1 5 . 1 1 57 57 ILE C C 57 174.840 174.840 174.749 0.091 18281 3600 1 5 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.168 0.312 18281 3601 1 5 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.948 -1.678 18281 3602 1 5 . 1 1 57 57 ILE H H 57 9.240 9.240 9.381 -0.141 18281 3603 1 5 . 1 1 58 58 THR N N 58 122.310 122.310 122.145 0.165 18281 3604 1 5 . 1 1 58 58 THR HA H 58 5.180 5.180 4.766 0.414 18281 3605 1 5 . 1 1 58 58 THR C C 58 174.260 174.260 173.308 0.952 18281 3606 1 5 . 1 1 58 58 THR CA C 58 61.720 61.720 61.317 0.403 18281 3607 1 5 . 1 1 58 58 THR CB C 58 70.640 70.640 70.017 0.623 18281 3608 1 5 . 1 1 58 58 THR H H 58 8.720 8.720 8.230 0.490 18281 3609 1 5 . 1 1 59 59 PHE N N 59 124.570 124.570 126.060 -1.490 18281 3610 1 5 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.786 0.234 18281 3611 1 5 . 1 1 59 59 PHE C C 59 174.510 174.510 176.686 -2.176 18281 3612 1 5 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.833 -1.383 18281 3613 1 5 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.180 0.830 18281 3614 1 5 . 1 1 59 59 PHE H H 59 8.570 8.570 8.316 0.254 18281 3615 1 5 . 1 1 60 60 GLY N N 60 104.600 104.600 110.870 -6.270 18281 3616 1 5 . 1 1 60 60 GLY C C 60 173.500 173.500 173.594 -0.094 18281 3617 1 5 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.235 0.595 18281 3618 1 5 . 1 1 60 60 GLY H H 60 7.800 7.800 8.511 -0.711 18281 3619 1 5 . 1 1 61 61 GLU N N 61 119.400 119.400 118.929 0.471 18281 3620 1 5 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.337 -0.227 18281 3621 1 5 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.062 -1.262 18281 3622 1 5 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.207 0.733 18281 3623 1 5 . 1 1 61 61 GLU H H 61 8.290 8.290 8.497 -0.207 18281 3624 1 5 . 1 1 62 62 GLY N N 62 110.940 110.940 110.434 0.506 18281 3625 1 5 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.592 1.608 18281 3626 1 5 . 1 1 62 62 GLY H H 62 8.870 8.870 7.691 1.179 18281 3627 1 5 . 1 1 66 66 GLY C C 66 176.930 176.930 171.969 4.961 18281 3628 1 5 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.423 -0.343 18281 3629 1 5 . 1 1 67 67 TYR N N 67 115.490 115.490 116.824 -1.334 18281 3630 1 5 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.464 0.116 18281 3631 1 5 . 1 1 67 67 TYR C C 67 175.470 175.470 173.450 2.020 18281 3632 1 5 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.589 -0.669 18281 3633 1 5 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.423 0.297 18281 3634 1 5 . 1 1 67 67 TYR H H 67 8.110 8.110 7.909 0.201 18281 3635 1 5 . 1 1 68 68 VAL N N 68 111.980 111.980 121.921 -9.941 18281 3636 1 5 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.663 0.357 18281 3637 1 5 . 1 1 68 68 VAL C C 68 175.480 175.480 174.949 0.531 18281 3638 1 5 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.201 -1.701 18281 3639 1 5 . 1 1 68 68 VAL CB C 68 36.460 36.460 36.171 0.289 18281 3640 1 5 . 1 1 68 68 VAL H H 68 8.840 8.840 8.725 0.115 18281 3641 1 5 . 1 1 69 69 LYS N N 69 118.430 118.430 122.642 -4.212 18281 3642 1 5 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.123 0.577 18281 3643 1 5 . 1 1 69 69 LYS C C 69 175.740 175.740 174.980 0.760 18281 3644 1 5 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.727 0.642 18281 3645 1 5 . 1 1 69 69 LYS CB C 69 36.580 36.580 36.044 0.536 18281 3646 1 5 . 1 1 69 69 LYS H H 69 8.590 8.590 9.177 -0.587 18281 3647 1 5 . 1 1 70 70 HIS N N 70 122.590 122.590 121.159 1.431 18281 3648 1 5 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.401 0.789 18281 3649 1 5 . 1 1 70 70 HIS C C 70 174.590 174.590 173.569 1.021 18281 3650 1 5 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.331 -3.491 18281 3651 1 5 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.736 2.274 18281 3652 1 5 . 1 1 70 70 HIS H H 70 9.160 9.160 8.732 0.428 18281 3653 1 5 . 1 1 71 71 LYS N N 71 122.760 122.760 123.459 -0.699 18281 3654 1 5 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.543 -0.053 18281 3655 1 5 . 1 1 71 71 LYS C C 71 175.500 175.500 174.791 0.709 18281 3656 1 5 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.896 0.144 18281 3657 1 5 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.458 -0.588 18281 3658 1 5 . 1 1 71 71 LYS H H 71 9.460 9.460 9.349 0.111 18281 3659 1 5 . 1 1 72 72 ILE N N 72 127.870 127.870 126.280 1.590 18281 3660 1 5 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.232 -0.352 18281 3661 1 5 . 1 1 72 72 ILE C C 72 175.430 175.430 175.898 -0.468 18281 3662 1 5 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.739 1.661 18281 3663 1 5 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.264 -1.224 18281 3664 1 5 . 1 1 72 72 ILE H H 72 9.320 9.320 8.863 0.457 18281 3665 1 5 . 1 1 73 73 HIS N N 73 127.690 127.690 126.895 0.795 18281 3666 1 5 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.621 0.499 18281 3667 1 5 . 1 1 73 73 HIS C C 73 176.240 176.240 174.903 1.337 18281 3668 1 5 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.657 -0.687 18281 3669 1 5 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.647 0.293 18281 3670 1 5 . 1 1 73 73 HIS H H 73 9.080 9.080 8.318 0.762 18281 3671 1 5 . 1 1 74 74 SER N N 74 110.900 110.900 111.118 -0.218 18281 3672 1 5 . 1 1 74 74 SER HA H 74 4.760 4.760 4.644 0.116 18281 3673 1 5 . 1 1 74 74 SER C C 74 172.620 172.620 172.172 0.448 18281 3674 1 5 . 1 1 74 74 SER CA C 74 57.880 57.880 57.651 0.229 18281 3675 1 5 . 1 1 74 74 SER CB C 74 66.790 66.790 64.956 1.834 18281 3676 1 5 . 1 1 74 74 SER H H 74 8.180 8.180 7.597 0.583 18281 3677 1 5 . 1 1 75 75 ILE N N 75 123.780 123.780 115.989 7.791 18281 3678 1 5 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.941 -0.261 18281 3679 1 5 . 1 1 75 75 ILE C C 75 174.010 174.010 174.628 -0.618 18281 3680 1 5 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.772 2.368 18281 3681 1 5 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.299 -0.989 18281 3682 1 5 . 1 1 75 75 ILE H H 75 8.730 8.730 8.320 0.410 18281 3683 1 5 . 1 1 76 76 ASP N N 76 127.280 127.280 126.422 0.858 18281 3684 1 5 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.038 0.042 18281 3685 1 5 . 1 1 76 76 ASP C C 76 176.680 176.680 175.971 0.709 18281 3686 1 5 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.169 -1.039 18281 3687 1 5 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.297 0.253 18281 3688 1 5 . 1 1 76 76 ASP H H 76 9.110 9.110 8.993 0.117 18281 3689 1 5 . 1 1 77 77 LYS N N 77 122.400 122.400 122.565 -0.165 18281 3690 1 5 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.628 0.352 18281 3691 1 5 . 1 1 77 77 LYS C C 77 175.980 175.980 176.927 -0.947 18281 3692 1 5 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.287 -1.867 18281 3693 1 5 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.412 0.368 18281 3694 1 5 . 1 1 77 77 LYS H H 77 8.890 8.890 8.620 0.270 18281 3695 1 5 . 1 1 78 78 VAL N N 78 119.300 119.300 115.893 3.407 18281 3696 1 5 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.567 0.093 18281 3697 1 5 . 1 1 78 78 VAL C C 78 176.290 176.290 176.264 0.026 18281 3698 1 5 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.145 0.275 18281 3699 1 5 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.459 0.641 18281 3700 1 5 . 1 1 78 78 VAL H H 78 8.110 8.110 7.969 0.141 18281 3701 1 5 . 1 1 79 79 ASN N N 79 114.400 114.400 114.313 0.087 18281 3702 1 5 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.589 -0.109 18281 3703 1 5 . 1 1 79 79 ASN C C 79 173.670 173.670 174.920 -1.250 18281 3704 1 5 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.953 -0.413 18281 3705 1 5 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.166 0.924 18281 3706 1 5 . 1 1 79 79 ASN H H 79 7.700 7.700 7.964 -0.264 18281 3707 1 5 . 1 1 80 80 HIS N N 80 115.530 115.530 113.640 1.890 18281 3708 1 5 . 1 1 80 80 HIS C C 80 173.450 173.450 173.010 0.440 18281 3709 1 5 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.873 -0.343 18281 3710 1 5 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.377 0.823 18281 3711 1 5 . 1 1 80 80 HIS H H 80 6.980 6.980 7.226 -0.246 18281 3712 1 5 . 1 1 81 81 THR N N 81 109.600 109.600 113.370 -3.770 18281 3713 1 5 . 1 1 81 81 THR HA H 81 5.730 5.730 4.956 0.774 18281 3714 1 5 . 1 1 81 81 THR C C 81 172.980 172.980 172.747 0.233 18281 3715 1 5 . 1 1 81 81 THR CA C 81 60.190 60.190 61.920 -1.730 18281 3716 1 5 . 1 1 81 81 THR CB C 81 71.740 71.740 71.828 -0.088 18281 3717 1 5 . 1 1 81 81 THR H H 81 7.990 7.990 7.584 0.406 18281 3718 1 5 . 1 1 82 82 TYR N N 82 125.000 125.000 128.198 -3.198 18281 3719 1 5 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.085 0.615 18281 3720 1 5 . 1 1 82 82 TYR C C 82 173.600 173.600 173.222 0.378 18281 3721 1 5 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.960 -1.630 18281 3722 1 5 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.128 0.682 18281 3723 1 5 . 1 1 82 82 TYR H H 82 9.300 9.300 9.392 -0.092 18281 3724 1 5 . 1 1 83 83 SER N N 83 121.820 121.820 123.823 -2.003 18281 3725 1 5 . 1 1 83 83 SER HA H 83 5.670 5.670 4.976 0.694 18281 3726 1 5 . 1 1 83 83 SER C C 83 173.490 173.490 172.731 0.759 18281 3727 1 5 . 1 1 83 83 SER CA C 83 56.420 56.420 57.194 -0.775 18281 3728 1 5 . 1 1 83 83 SER CB C 83 65.520 65.520 65.292 0.228 18281 3729 1 5 . 1 1 83 83 SER H H 83 9.090 9.090 8.046 1.044 18281 3730 1 5 . 1 1 84 84 TYR N N 84 122.970 122.970 122.561 0.409 18281 3731 1 5 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.227 0.003 18281 3732 1 5 . 1 1 84 84 TYR C C 84 172.530 172.530 173.097 -0.567 18281 3733 1 5 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.055 0.365 18281 3734 1 5 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.696 -0.746 18281 3735 1 5 . 1 1 84 84 TYR H H 84 8.790 8.790 8.953 -0.163 18281 3736 1 5 . 1 1 85 85 SER N N 85 114.200 114.200 113.136 1.064 18281 3737 1 5 . 1 1 85 85 SER HA H 85 5.700 5.700 5.214 0.486 18281 3738 1 5 . 1 1 85 85 SER C C 85 173.180 173.180 172.623 0.557 18281 3739 1 5 . 1 1 85 85 SER CA C 85 57.510 57.510 57.111 0.398 18281 3740 1 5 . 1 1 85 85 SER CB C 85 65.940 65.940 67.021 -1.081 18281 3741 1 5 . 1 1 85 85 SER H H 85 9.350 9.350 9.436 -0.086 18281 3742 1 5 . 1 1 86 86 LEU N N 86 128.880 128.880 122.962 5.918 18281 3743 1 5 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.851 0.379 18281 3744 1 5 . 1 1 86 86 LEU C C 86 176.230 176.230 176.332 -0.102 18281 3745 1 5 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.861 1.729 18281 3746 1 5 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.919 0.231 18281 3747 1 5 . 1 1 86 86 LEU H H 86 9.900 9.900 8.879 1.021 18281 3748 1 5 . 1 1 87 87 ILE N N 87 115.900 115.900 125.953 -10.053 18281 3749 1 5 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.056 0.874 18281 3750 1 5 . 1 1 87 87 ILE C C 87 176.080 176.080 175.975 0.105 18281 3751 1 5 . 1 1 87 87 ILE CA C 87 61.270 61.270 63.651 -2.381 18281 3752 1 5 . 1 1 87 87 ILE CB C 87 39.830 39.830 39.069 0.761 18281 3753 1 5 . 1 1 87 87 ILE H H 87 8.180 8.180 8.809 -0.629 18281 3754 1 5 . 1 1 88 88 GLU N N 88 121.920 121.920 118.519 3.401 18281 3755 1 5 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.515 -0.005 18281 3756 1 5 . 1 1 88 88 GLU C C 88 174.020 174.020 175.273 -1.253 18281 3757 1 5 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.072 1.968 18281 3758 1 5 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.485 2.485 18281 3759 1 5 . 1 1 88 88 GLU H H 88 7.650 7.650 7.787 -0.137 18281 3760 1 5 . 1 1 89 89 GLY N N 89 111.650 111.650 107.230 4.420 18281 3761 1 5 . 1 1 89 89 GLY C C 89 173.800 173.800 173.235 0.565 18281 3762 1 5 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.791 0.159 18281 3763 1 5 . 1 1 89 89 GLY H H 89 8.830 8.830 8.054 0.776 18281 3764 1 5 . 1 1 90 90 ASP N N 90 119.650 119.650 121.351 -1.701 18281 3765 1 5 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.312 0.048 18281 3766 1 5 . 1 1 90 90 ASP C C 90 176.570 176.570 178.127 -1.557 18281 3767 1 5 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.046 -0.006 18281 3768 1 5 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.764 0.516 18281 3769 1 5 . 1 1 90 90 ASP H H 90 8.430 8.430 8.601 -0.171 18281 3770 1 5 . 1 1 91 91 ALA N N 91 118.530 118.530 120.400 -1.870 18281 3771 1 5 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.186 0.054 18281 3772 1 5 . 1 1 91 91 ALA C C 91 177.740 177.740 178.824 -1.084 18281 3773 1 5 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.320 -1.110 18281 3774 1 5 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.560 0.750 18281 3775 1 5 . 1 1 91 91 ALA H H 91 7.810 7.810 8.295 -0.485 18281 3776 1 5 . 1 1 92 92 LEU N N 92 117.330 117.330 116.694 0.636 18281 3777 1 5 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.201 0.259 18281 3778 1 5 . 1 1 92 92 LEU C C 92 176.210 176.210 177.412 -1.202 18281 3779 1 5 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.226 -1.206 18281 3780 1 5 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.151 -1.941 18281 3781 1 5 . 1 1 92 92 LEU H H 92 7.600 7.600 7.419 0.181 18281 3782 1 5 . 1 1 93 93 SER N N 93 115.780 115.780 112.179 3.601 18281 3783 1 5 . 1 1 93 93 SER HA H 93 4.620 4.620 4.088 0.532 18281 3784 1 5 . 1 1 93 93 SER C C 93 173.970 173.970 174.174 -0.204 18281 3785 1 5 . 1 1 93 93 SER CA C 93 57.730 57.730 59.962 -2.232 18281 3786 1 5 . 1 1 93 93 SER CB C 93 64.920 64.920 63.497 1.423 18281 3787 1 5 . 1 1 93 93 SER H H 93 7.910 7.910 7.661 0.249 18281 3788 1 5 . 1 1 94 94 GLU N N 94 119.400 119.400 119.542 -0.142 18281 3789 1 5 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.248 -0.088 18281 3790 1 5 . 1 1 94 94 GLU C C 94 176.570 176.570 176.665 -0.095 18281 3791 1 5 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.020 1.679 18281 3792 1 5 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.564 -0.354 18281 3793 1 5 . 1 1 94 94 GLU H H 94 8.850 8.850 8.718 0.132 18281 3794 1 5 . 1 1 95 95 ASN N N 95 113.460 113.460 117.673 -4.213 18281 3795 1 5 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.913 -0.113 18281 3796 1 5 . 1 1 95 95 ASN C C 95 174.070 174.070 174.407 -0.337 18281 3797 1 5 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.578 0.542 18281 3798 1 5 . 1 1 95 95 ASN CB C 95 39.350 39.350 41.030 -1.680 18281 3799 1 5 . 1 1 95 95 ASN H H 95 8.290 8.290 7.647 0.643 18281 3800 1 5 . 1 1 96 96 ILE N N 96 120.610 120.610 120.072 0.538 18281 3801 1 5 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.257 -0.067 18281 3802 1 5 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.759 0.171 18281 3803 1 5 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.606 -0.736 18281 3804 1 5 . 1 1 96 96 ILE H H 96 7.770 7.770 7.817 -0.047 18281 3805 1 5 . 1 1 97 97 GLU N N 97 126.670 126.670 124.790 1.880 18281 3806 1 5 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.488 0.302 18281 3807 1 5 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.191 1.009 18281 3808 1 5 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.017 1.933 18281 3809 1 5 . 1 1 97 97 GLU H H 97 8.460 8.460 8.557 -0.097 18281 3810 1 5 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.250 0.460 18281 3811 1 5 . 1 1 98 98 LYS C C 98 173.650 173.650 176.803 -3.153 18281 3812 1 5 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.567 -1.597 18281 3813 1 5 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.011 1.789 18281 3814 1 5 . 1 1 99 99 ILE N N 99 120.290 120.290 119.858 0.432 18281 3815 1 5 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.540 0.250 18281 3816 1 5 . 1 1 99 99 ILE C C 99 174.690 174.690 174.221 0.469 18281 3817 1 5 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.119 0.181 18281 3818 1 5 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.596 -0.046 18281 3819 1 5 . 1 1 99 99 ILE H H 99 7.720 7.720 8.149 -0.429 18281 3820 1 5 . 1 1 100 100 ASP N N 100 126.970 126.970 125.903 1.067 18281 3821 1 5 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.866 0.234 18281 3822 1 5 . 1 1 100 100 ASP C C 100 174.490 174.490 174.163 0.327 18281 3823 1 5 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.274 -0.644 18281 3824 1 5 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.815 0.035 18281 3825 1 5 . 1 1 100 100 ASP H H 100 9.220 9.220 8.408 0.812 18281 3826 1 5 . 1 1 101 101 TYR N N 101 120.640 120.640 123.978 -3.338 18281 3827 1 5 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.888 0.392 18281 3828 1 5 . 1 1 101 101 TYR C C 101 175.740 175.740 174.905 0.835 18281 3829 1 5 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.689 0.291 18281 3830 1 5 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.650 -0.010 18281 3831 1 5 . 1 1 101 101 TYR H H 101 9.140 9.140 8.790 0.350 18281 3832 1 5 . 1 1 102 102 GLU N N 102 122.040 122.040 121.891 0.149 18281 3833 1 5 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.876 0.254 18281 3834 1 5 . 1 1 102 102 GLU C C 102 175.360 175.360 175.570 -0.210 18281 3835 1 5 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.238 0.632 18281 3836 1 5 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.101 -1.031 18281 3837 1 5 . 1 1 102 102 GLU H H 102 8.670 8.670 9.381 -0.711 18281 3838 1 5 . 1 1 103 103 THR N N 103 125.840 125.840 119.988 5.852 18281 3839 1 5 . 1 1 103 103 THR HA H 103 5.580 5.580 5.023 0.557 18281 3840 1 5 . 1 1 103 103 THR C C 103 172.780 172.780 172.997 -0.217 18281 3841 1 5 . 1 1 103 103 THR CA C 103 62.150 62.150 61.779 0.371 18281 3842 1 5 . 1 1 103 103 THR CB C 103 71.750 71.750 71.534 0.216 18281 3843 1 5 . 1 1 103 103 THR H H 103 9.550 9.550 9.232 0.318 18281 3844 1 5 . 1 1 104 104 LYS N N 104 126.990 126.990 126.993 -0.003 18281 3845 1 5 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.770 0.470 18281 3846 1 5 . 1 1 104 104 LYS C C 104 174.300 174.300 173.943 0.357 18281 3847 1 5 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.081 0.249 18281 3848 1 5 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.027 -0.087 18281 3849 1 5 . 1 1 104 104 LYS H H 104 9.430 9.430 8.917 0.513 18281 3850 1 5 . 1 1 105 105 LEU N N 105 124.700 124.700 127.376 -2.676 18281 3851 1 5 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.609 0.601 18281 3852 1 5 . 1 1 105 105 LEU C C 105 175.780 175.780 175.639 0.141 18281 3853 1 5 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.291 0.329 18281 3854 1 5 . 1 1 105 105 LEU CB C 105 41.950 41.950 43.578 -1.628 18281 3855 1 5 . 1 1 105 105 LEU H H 105 8.410 8.410 8.153 0.257 18281 3856 1 5 . 1 1 106 106 VAL N N 106 123.290 123.290 124.351 -1.061 18281 3857 1 5 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.358 0.072 18281 3858 1 5 . 1 1 106 106 VAL C C 106 175.560 175.560 174.503 1.057 18281 3859 1 5 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.834 -0.364 18281 3860 1 5 . 1 1 106 106 VAL CB C 106 35.020 35.020 36.302 -1.282 18281 3861 1 5 . 1 1 106 106 VAL H H 106 9.180 9.180 9.239 -0.059 18281 3862 1 5 . 1 1 107 107 SER N N 107 121.800 121.800 119.984 1.816 18281 3863 1 5 . 1 1 107 107 SER HA H 107 4.660 4.660 4.651 0.009 18281 3864 1 5 . 1 1 107 107 SER C C 107 173.600 173.600 173.610 -0.010 18281 3865 1 5 . 1 1 107 107 SER CA C 107 59.860 59.860 56.492 3.368 18281 3866 1 5 . 1 1 107 107 SER CB C 107 63.250 63.250 64.747 -1.497 18281 3867 1 5 . 1 1 107 107 SER H H 107 8.910 8.910 8.222 0.688 18281 3868 1 5 . 1 1 108 108 ALA N N 108 129.210 129.210 125.405 3.805 18281 3869 1 5 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.918 -0.288 18281 3870 1 5 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.662 0.958 18281 3871 1 5 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.803 -0.003 18281 3872 1 5 . 1 1 108 108 ALA H H 108 8.310 8.310 8.320 -0.010 18281 3873 1 5 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.261 0.159 18281 3874 1 5 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.665 -0.965 18281 3875 1 5 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.644 0.556 18281 3876 1 5 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.436 0.334 18281 3877 1 5 . 1 1 110 110 HIS C C 110 175.760 175.760 176.221 -0.461 18281 3878 1 5 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.202 -0.812 18281 3879 1 5 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.707 -0.297 18281 3880 1 5 . 1 1 111 111 GLY N N 111 108.720 108.720 105.732 2.988 18281 3881 1 5 . 1 1 111 111 GLY C C 111 174.390 174.390 174.160 0.230 18281 3882 1 5 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.217 -0.087 18281 3883 1 5 . 1 1 111 111 GLY H H 111 7.730 7.730 7.745 -0.015 18281 3884 1 5 . 1 1 112 112 GLY N N 112 107.670 107.670 109.202 -1.532 18281 3885 1 5 . 1 1 112 112 GLY C C 112 174.150 174.150 172.964 1.186 18281 3886 1 5 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.568 -0.148 18281 3887 1 5 . 1 1 112 112 GLY H H 112 7.600 7.600 8.070 -0.470 18281 3888 1 5 . 1 1 113 113 THR N N 113 119.830 119.830 116.008 3.822 18281 3889 1 5 . 1 1 113 113 THR HA H 113 5.060 5.060 4.781 0.279 18281 3890 1 5 . 1 1 113 113 THR C C 113 173.250 173.250 173.669 -0.419 18281 3891 1 5 . 1 1 113 113 THR CA C 113 62.990 62.990 62.292 0.698 18281 3892 1 5 . 1 1 113 113 THR CB C 113 72.270 72.270 71.264 1.006 18281 3893 1 5 . 1 1 113 113 THR H H 113 9.070 9.070 7.992 1.078 18281 3894 1 5 . 1 1 114 114 ILE N N 114 127.600 127.600 126.887 0.713 18281 3895 1 5 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.167 0.343 18281 3896 1 5 . 1 1 114 114 ILE C C 114 174.370 174.370 174.380 -0.010 18281 3897 1 5 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.131 0.029 18281 3898 1 5 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.566 0.404 18281 3899 1 5 . 1 1 114 114 ILE H H 114 9.490 9.490 9.047 0.443 18281 3900 1 5 . 1 1 115 115 ILE N N 115 129.200 129.200 126.214 2.986 18281 3901 1 5 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.841 -0.341 18281 3902 1 5 . 1 1 115 115 ILE C C 115 175.000 175.000 174.885 0.115 18281 3903 1 5 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.958 1.442 18281 3904 1 5 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.510 -2.510 18281 3905 1 5 . 1 1 115 115 ILE H H 115 9.220 9.220 8.996 0.224 18281 3906 1 5 . 1 1 116 116 LYS N N 116 127.550 127.550 128.452 -0.902 18281 3907 1 5 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.445 -0.275 18281 3908 1 5 . 1 1 116 116 LYS C C 116 176.300 176.300 175.735 0.565 18281 3909 1 5 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.865 0.504 18281 3910 1 5 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.064 -0.484 18281 3911 1 5 . 1 1 116 116 LYS H H 116 9.130 9.130 8.534 0.596 18281 3912 1 5 . 1 1 117 117 THR N N 117 120.940 120.940 121.352 -0.412 18281 3913 1 5 . 1 1 117 117 THR HA H 117 5.730 5.730 5.283 0.447 18281 3914 1 5 . 1 1 117 117 THR C C 117 174.620 174.620 173.865 0.755 18281 3915 1 5 . 1 1 117 117 THR CA C 117 60.990 60.990 61.452 -0.462 18281 3916 1 5 . 1 1 117 117 THR CB C 117 71.750 71.750 71.126 0.624 18281 3917 1 5 . 1 1 117 117 THR H H 117 9.020 9.020 9.184 -0.164 18281 3918 1 5 . 1 1 118 118 THR N N 118 125.750 125.750 124.812 0.938 18281 3919 1 5 . 1 1 118 118 THR HA H 118 5.170 5.170 5.556 -0.386 18281 3920 1 5 . 1 1 118 118 THR C C 118 173.760 173.760 172.909 0.851 18281 3921 1 5 . 1 1 118 118 THR CA C 118 61.800 61.800 61.319 0.481 18281 3922 1 5 . 1 1 118 118 THR CB C 118 70.720 70.720 71.372 -0.652 18281 3923 1 5 . 1 1 118 118 THR H H 118 9.500 9.500 8.865 0.635 18281 3924 1 5 . 1 1 119 119 SER N N 119 122.250 122.250 119.550 2.700 18281 3925 1 5 . 1 1 119 119 SER HA H 119 5.270 5.270 5.300 -0.030 18281 3926 1 5 . 1 1 119 119 SER C C 119 172.960 172.960 172.221 0.739 18281 3927 1 5 . 1 1 119 119 SER CA C 119 55.860 55.860 56.453 -0.593 18281 3928 1 5 . 1 1 119 119 SER CB C 119 66.720 66.720 65.308 1.412 18281 3929 1 5 . 1 1 119 119 SER H H 119 9.410 9.410 8.654 0.756 18281 3930 1 5 . 1 1 120 120 LYS N N 120 124.120 124.120 124.444 -0.324 18281 3931 1 5 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.536 0.704 18281 3932 1 5 . 1 1 120 120 LYS C C 120 174.780 174.780 174.604 0.176 18281 3933 1 5 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.380 0.450 18281 3934 1 5 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.342 -0.182 18281 3935 1 5 . 1 1 120 120 LYS H H 120 9.150 9.150 8.477 0.673 18281 3936 1 5 . 1 1 121 121 TYR N N 121 126.500 126.500 121.042 5.458 18281 3937 1 5 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.122 0.878 18281 3938 1 5 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.626 -0.426 18281 3939 1 5 . 1 1 121 121 TYR H H 121 9.800 9.800 8.676 1.124 18281 3940 1 5 . 1 1 122 122 HIS C C 122 174.670 174.670 174.931 -0.261 18281 3941 1 5 . 1 1 123 123 THR N N 123 125.750 125.750 113.122 12.628 18281 3942 1 5 . 1 1 123 123 THR HA H 123 5.400 5.400 4.645 0.755 18281 3943 1 5 . 1 1 123 123 THR C C 123 174.460 174.460 174.453 0.007 18281 3944 1 5 . 1 1 123 123 THR CA C 123 60.230 60.230 60.297 -0.067 18281 3945 1 5 . 1 1 123 123 THR CB C 123 71.260 71.260 71.002 0.258 18281 3946 1 5 . 1 1 123 123 THR H H 123 8.920 8.920 8.433 0.487 18281 3947 1 5 . 1 1 124 124 LYS N N 124 121.170 121.170 123.216 -2.046 18281 3948 1 5 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.408 0.352 18281 3949 1 5 . 1 1 124 124 LYS C C 124 176.450 176.450 176.884 -0.434 18281 3950 1 5 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.574 -3.064 18281 3951 1 5 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.897 1.003 18281 3952 1 5 . 1 1 124 124 LYS H H 124 8.590 8.590 8.508 0.082 18281 3953 1 5 . 1 1 125 125 GLY N N 125 110.070 110.070 106.548 3.522 18281 3954 1 5 . 1 1 125 125 GLY C C 125 173.620 173.620 173.494 0.126 18281 3955 1 5 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.631 -0.361 18281 3956 1 5 . 1 1 125 125 GLY H H 125 8.390 8.390 8.201 0.189 18281 3957 1 5 . 1 1 126 126 ASP N N 126 120.070 120.070 121.258 -1.188 18281 3958 1 5 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.745 -0.075 18281 3959 1 5 . 1 1 126 126 ASP C C 126 175.580 175.580 176.190 -0.610 18281 3960 1 5 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.802 0.488 18281 3961 1 5 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.907 -0.548 18281 3962 1 5 . 1 1 126 126 ASP H H 126 8.440 8.440 8.444 -0.004 18281 3963 1 5 . 1 1 127 127 VAL N N 127 119.620 119.620 120.176 -0.556 18281 3964 1 5 . 1 1 127 127 VAL HA H 127 4.240 4.240 4.000 0.240 18281 3965 1 5 . 1 1 127 127 VAL C C 127 174.610 174.610 174.954 -0.344 18281 3966 1 5 . 1 1 127 127 VAL CA C 127 61.230 61.230 62.691 -1.461 18281 3967 1 5 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.401 1.849 18281 3968 1 5 . 1 1 127 127 VAL H H 127 7.620 7.620 7.665 -0.045 18281 3969 1 5 . 1 1 128 128 GLU N N 128 125.030 125.030 125.689 -0.659 18281 3970 1 5 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.650 -0.520 18281 3971 1 5 . 1 1 128 128 GLU C C 128 175.680 175.680 175.547 0.133 18281 3972 1 5 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.204 0.336 18281 3973 1 5 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.861 -1.071 18281 3974 1 5 . 1 1 128 128 GLU H H 128 8.330 8.330 8.341 -0.011 18281 3975 1 5 . 1 1 129 129 ILE N N 129 124.070 124.070 120.376 3.694 18281 3976 1 5 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.311 -0.351 18281 3977 1 5 . 1 1 129 129 ILE C C 129 175.960 175.960 174.497 1.463 18281 3978 1 5 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.883 -0.533 18281 3979 1 5 . 1 1 129 129 ILE CB C 129 36.680 36.680 39.823 -3.143 18281 3980 1 5 . 1 1 129 129 ILE H H 129 7.380 7.380 8.407 -1.027 18281 3981 1 5 . 1 1 130 130 LYS N N 130 127.800 127.800 122.619 5.181 18281 3982 1 5 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.602 -0.322 18281 3983 1 5 . 1 1 130 130 LYS C C 130 177.660 177.660 176.707 0.953 18281 3984 1 5 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.561 0.289 18281 3985 1 5 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.362 -0.552 18281 3986 1 5 . 1 1 130 130 LYS H H 130 8.790 8.790 8.544 0.246 18281 3987 1 5 . 1 1 131 131 GLU N N 131 125.060 125.060 125.605 -0.545 18281 3988 1 5 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.826 -0.016 18281 3989 1 5 . 1 1 131 131 GLU C C 131 178.630 178.630 178.226 0.404 18281 3990 1 5 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.127 -0.617 18281 3991 1 5 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.666 -0.366 18281 3992 1 5 . 1 1 131 131 GLU H H 131 8.880 8.880 9.188 -0.308 18281 3993 1 5 . 1 1 132 132 GLU N N 132 117.220 117.220 116.823 0.397 18281 3994 1 5 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.021 -0.041 18281 3995 1 5 . 1 1 132 132 GLU C C 132 178.630 178.630 179.018 -0.388 18281 3996 1 5 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.068 0.542 18281 3997 1 5 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.806 0.174 18281 3998 1 5 . 1 1 132 132 GLU H H 132 9.200 9.200 8.921 0.279 18281 3999 1 5 . 1 1 133 133 HIS N N 133 119.810 119.810 119.863 -0.053 18281 4000 1 5 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.316 0.154 18281 4001 1 5 . 1 1 133 133 HIS C C 133 178.430 178.430 177.527 0.903 18281 4002 1 5 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.390 -0.260 18281 4003 1 5 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.661 1.659 18281 4004 1 5 . 1 1 133 133 HIS H H 133 7.500 7.500 7.685 -0.185 18281 4005 1 5 . 1 1 134 134 VAL N N 134 120.370 120.370 119.816 0.554 18281 4006 1 5 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.322 0.328 18281 4007 1 5 . 1 1 134 134 VAL C C 134 179.170 179.170 177.367 1.803 18281 4008 1 5 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.753 -1.573 18281 4009 1 5 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.141 0.569 18281 4010 1 5 . 1 1 134 134 VAL H H 134 7.290 7.290 7.954 -0.664 18281 4011 1 5 . 1 1 135 135 LYS N N 135 121.310 121.310 119.865 1.445 18281 4012 1 5 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.788 0.172 18281 4013 1 5 . 1 1 135 135 LYS C C 135 178.310 178.310 178.403 -0.093 18281 4014 1 5 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.639 -0.308 18281 4015 1 5 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.322 -0.142 18281 4016 1 5 . 1 1 135 135 LYS H H 135 8.310 8.310 8.164 0.146 18281 4017 1 5 . 1 1 136 136 ALA N N 136 121.150 121.150 120.531 0.619 18281 4018 1 5 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.064 0.166 18281 4019 1 5 . 1 1 136 136 ALA C C 136 180.930 180.930 179.448 1.482 18281 4020 1 5 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.142 -0.122 18281 4021 1 5 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.023 -0.273 18281 4022 1 5 . 1 1 136 136 ALA H H 136 7.950 7.950 7.610 0.340 18281 4023 1 5 . 1 1 137 137 GLY N N 137 105.640 105.640 106.581 -0.941 18281 4024 1 5 . 1 1 137 137 GLY C C 137 177.000 177.000 176.496 0.504 18281 4025 1 5 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.057 0.103 18281 4026 1 5 . 1 1 137 137 GLY H H 137 7.930 7.930 7.499 0.431 18281 4027 1 5 . 1 1 138 138 LYS N N 138 124.210 124.210 121.607 2.603 18281 4028 1 5 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.034 0.196 18281 4029 1 5 . 1 1 138 138 LYS C C 138 178.860 178.860 178.561 0.299 18281 4030 1 5 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.143 -0.353 18281 4031 1 5 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.346 0.324 18281 4032 1 5 . 1 1 138 138 LYS H H 138 7.960 7.960 7.526 0.434 18281 4033 1 5 . 1 1 139 139 GLU N N 139 119.720 119.720 119.847 -0.127 18281 4034 1 5 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.017 0.123 18281 4035 1 5 . 1 1 139 139 GLU C C 139 179.710 179.710 178.471 1.239 18281 4036 1 5 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.605 -0.425 18281 4037 1 5 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.506 -0.206 18281 4038 1 5 . 1 1 139 139 GLU H H 139 8.370 8.370 7.900 0.470 18281 4039 1 5 . 1 1 140 140 LYS N N 140 120.270 120.270 119.553 0.717 18281 4040 1 5 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.004 0.106 18281 4041 1 5 . 1 1 140 140 LYS C C 140 179.210 179.210 178.847 0.363 18281 4042 1 5 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.515 0.095 18281 4043 1 5 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.419 -0.039 18281 4044 1 5 . 1 1 140 140 LYS H H 140 8.140 8.140 7.893 0.247 18281 4045 1 5 . 1 1 141 141 ALA N N 141 121.910 121.910 120.980 0.930 18281 4046 1 5 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.142 -0.102 18281 4047 1 5 . 1 1 141 141 ALA C C 141 179.530 179.530 179.701 -0.171 18281 4048 1 5 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.957 0.063 18281 4049 1 5 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.367 0.013 18281 4050 1 5 . 1 1 141 141 ALA H H 141 7.730 7.730 7.687 0.043 18281 4051 1 5 . 1 1 142 142 ALA N N 142 120.440 120.440 121.479 -1.039 18281 4052 1 5 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.039 -0.159 18281 4053 1 5 . 1 1 142 142 ALA C C 142 180.080 180.080 178.974 1.106 18281 4054 1 5 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.133 -0.233 18281 4055 1 5 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.296 -0.066 18281 4056 1 5 . 1 1 142 142 ALA H H 142 8.280 8.280 8.533 -0.253 18281 4057 1 5 . 1 1 143 143 HIS N N 143 118.280 118.280 118.673 -0.393 18281 4058 1 5 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.223 0.127 18281 4059 1 5 . 1 1 143 143 HIS C C 143 177.350 177.350 177.469 -0.119 18281 4060 1 5 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.557 -0.127 18281 4061 1 5 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.803 0.947 18281 4062 1 5 . 1 1 143 143 HIS H H 143 8.030 8.030 8.297 -0.267 18281 4063 1 5 . 1 1 144 144 LEU N N 144 118.820 118.820 119.373 -0.553 18281 4064 1 5 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.603 0.307 18281 4065 1 5 . 1 1 144 144 LEU C C 144 179.040 179.040 178.706 0.334 18281 4066 1 5 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.829 0.251 18281 4067 1 5 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.296 -0.336 18281 4068 1 5 . 1 1 144 144 LEU H H 144 7.700 7.700 7.550 0.150 18281 4069 1 5 . 1 1 145 145 PHE N N 145 116.920 116.920 115.890 1.030 18281 4070 1 5 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.961 0.039 18281 4071 1 5 . 1 1 145 145 PHE C C 145 177.900 177.900 177.497 0.403 18281 4072 1 5 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.101 0.049 18281 4073 1 5 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.832 -0.082 18281 4074 1 5 . 1 1 145 145 PHE H H 145 8.100 8.100 7.795 0.305 18281 4075 1 5 . 1 1 146 146 LYS N N 146 119.710 119.710 119.974 -0.264 18281 4076 1 5 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.008 0.122 18281 4077 1 5 . 1 1 146 146 LYS C C 146 177.750 177.750 178.247 -0.497 18281 4078 1 5 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.303 -0.403 18281 4079 1 5 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.216 0.064 18281 4080 1 5 . 1 1 146 146 LYS H H 146 8.040 8.040 7.542 0.498 18281 4081 1 5 . 1 1 147 147 LEU N N 147 118.970 118.970 119.551 -0.581 18281 4082 1 5 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.794 0.206 18281 4083 1 5 . 1 1 147 147 LEU C C 147 180.460 180.460 178.463 1.997 18281 4084 1 5 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.206 0.264 18281 4085 1 5 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.525 1.875 18281 4086 1 5 . 1 1 147 147 LEU H H 147 7.960 7.960 7.203 0.757 18281 4087 1 5 . 1 1 148 148 ILE N N 148 121.410 121.410 119.238 2.172 18281 4088 1 5 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.139 0.401 18281 4089 1 5 . 1 1 148 148 ILE C C 148 177.030 177.030 177.834 -0.804 18281 4090 1 5 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.880 -0.480 18281 4091 1 5 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.388 0.302 18281 4092 1 5 . 1 1 148 148 ILE H H 148 8.200 8.200 7.655 0.545 18281 4093 1 5 . 1 1 149 149 GLU N N 149 120.450 120.450 119.916 0.534 18281 4094 1 5 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.918 -0.238 18281 4095 1 5 . 1 1 149 149 GLU C C 149 178.540 178.540 179.212 -0.672 18281 4096 1 5 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.553 0.767 18281 4097 1 5 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.443 -0.613 18281 4098 1 5 . 1 1 149 149 GLU H H 149 8.680 8.680 7.970 0.710 18281 4099 1 5 . 1 1 150 150 GLY N N 150 104.450 104.450 106.974 -2.524 18281 4100 1 5 . 1 1 150 150 GLY C C 150 175.670 175.670 176.981 -1.311 18281 4101 1 5 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.014 0.236 18281 4102 1 5 . 1 1 150 150 GLY H H 150 8.180 8.180 7.972 0.208 18281 4103 1 5 . 1 1 151 151 TYR N N 151 122.120 122.120 122.373 -0.253 18281 4104 1 5 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.314 0.066 18281 4105 1 5 . 1 1 151 151 TYR C C 151 179.360 179.360 178.253 1.107 18281 4106 1 5 . 1 1 151 151 TYR CA C 151 62.320 62.320 58.938 3.382 18281 4107 1 5 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.795 -1.405 18281 4108 1 5 . 1 1 151 151 TYR H H 151 7.910 7.910 8.128 -0.218 18281 4109 1 5 . 1 1 152 152 LEU N N 152 120.020 120.020 119.952 0.068 18281 4110 1 5 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.757 0.273 18281 4111 1 5 . 1 1 152 152 LEU C C 152 180.320 180.320 178.640 1.680 18281 4112 1 5 . 1 1 152 152 LEU CA C 152 57.760 57.760 58.023 -0.264 18281 4113 1 5 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.533 -0.533 18281 4114 1 5 . 1 1 152 152 LEU H H 152 8.630 8.630 8.445 0.185 18281 4115 1 5 . 1 1 153 153 LYS N N 153 119.730 119.730 119.493 0.237 18281 4116 1 5 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.046 -0.076 18281 4117 1 5 . 1 1 153 153 LYS C C 153 178.150 178.150 178.223 -0.073 18281 4118 1 5 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.078 0.322 18281 4119 1 5 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.127 0.223 18281 4120 1 5 . 1 1 153 153 LYS H H 153 8.260 8.260 8.204 0.056 18281 4121 1 5 . 1 1 154 154 ASP N N 154 117.020 117.020 115.899 1.121 18281 4122 1 5 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.688 -0.688 18281 4123 1 5 . 1 1 154 154 ASP C C 154 175.660 175.660 176.052 -0.392 18281 4124 1 5 . 1 1 154 154 ASP CA C 154 55.030 55.030 54.909 0.121 18281 4125 1 5 . 1 1 154 154 ASP H H 154 7.560 7.560 7.702 -0.142 18281 4126 1 5 . 1 1 155 155 HIS N N 155 117.160 117.160 117.550 -0.390 18281 4127 1 5 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.310 0.590 18281 4128 1 5 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.831 -1.681 18281 4129 1 5 . 1 1 155 155 HIS CB C 155 27.990 27.990 28.627 -0.637 18281 4130 1 5 . 1 1 155 155 HIS H H 155 7.430 7.430 7.859 -0.429 18281 4131 1 6 . 1 1 3 3 VAL N N 3 119.910 119.910 121.551 -1.641 18281 4132 1 6 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.182 0.738 18281 4133 1 6 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.581 -0.561 18281 4134 1 6 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.067 1.063 18281 4135 1 6 . 1 1 3 3 VAL H H 3 7.630 7.630 7.648 -0.018 18281 4136 1 6 . 1 1 4 4 TYR N N 4 119.930 119.930 123.815 -3.885 18281 4137 1 6 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.656 0.014 18281 4138 1 6 . 1 1 4 4 TYR C C 4 174.670 174.670 175.101 -0.431 18281 4139 1 6 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.642 0.829 18281 4140 1 6 . 1 1 4 4 TYR CB C 4 41.270 41.270 41.263 0.007 18281 4141 1 6 . 1 1 4 4 TYR H H 4 8.660 8.660 8.333 0.327 18281 4142 1 6 . 1 1 5 5 THR N N 5 119.930 119.930 116.820 3.110 18281 4143 1 6 . 1 1 5 5 THR HA H 5 5.290 5.290 4.483 0.807 18281 4144 1 6 . 1 1 5 5 THR C C 5 173.180 173.180 173.416 -0.236 18281 4145 1 6 . 1 1 5 5 THR CA C 5 61.780 61.780 62.378 -0.598 18281 4146 1 6 . 1 1 5 5 THR CB C 5 70.360 70.360 69.748 0.612 18281 4147 1 6 . 1 1 5 5 THR H H 5 8.230 8.230 8.255 -0.025 18281 4148 1 6 . 1 1 6 6 TYR N N 6 125.060 125.060 125.541 -0.481 18281 4149 1 6 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.763 0.527 18281 4150 1 6 . 1 1 6 6 TYR C C 6 174.380 174.380 174.454 -0.074 18281 4151 1 6 . 1 1 6 6 TYR CA C 6 57.110 57.110 57.055 0.055 18281 4152 1 6 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.284 0.566 18281 4153 1 6 . 1 1 6 6 TYR H H 6 9.210 9.210 8.772 0.438 18281 4154 1 6 . 1 1 7 7 GLU N N 7 122.360 122.360 124.258 -1.898 18281 4155 1 6 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.899 0.461 18281 4156 1 6 . 1 1 7 7 GLU C C 7 175.390 175.390 174.826 0.564 18281 4157 1 6 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.708 0.272 18281 4158 1 6 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.596 0.454 18281 4159 1 6 . 1 1 7 7 GLU H H 7 8.830 8.830 8.818 0.012 18281 4160 1 6 . 1 1 8 8 ASN N N 8 119.960 119.960 124.495 -4.535 18281 4161 1 6 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.062 0.038 18281 4162 1 6 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.399 0.221 18281 4163 1 6 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.488 1.722 18281 4164 1 6 . 1 1 8 8 ASN H H 8 8.800 8.800 9.186 -0.386 18281 4165 1 6 . 1 1 9 9 GLU N N 9 121.420 121.420 125.501 -4.081 18281 4166 1 6 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.852 0.748 18281 4167 1 6 . 1 1 9 9 GLU C C 9 174.590 174.590 175.057 -0.467 18281 4168 1 6 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.441 -0.671 18281 4169 1 6 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.427 2.323 18281 4170 1 6 . 1 1 9 9 GLU H H 9 8.330 8.330 8.764 -0.434 18281 4171 1 6 . 1 1 10 10 PHE N N 10 121.240 121.240 125.656 -4.416 18281 4172 1 6 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.903 0.117 18281 4173 1 6 . 1 1 10 10 PHE C C 10 173.880 173.880 173.189 0.691 18281 4174 1 6 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.334 -1.784 18281 4175 1 6 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.328 -1.858 18281 4176 1 6 . 1 1 10 10 PHE H H 10 8.760 8.760 9.243 -0.483 18281 4177 1 6 . 1 1 11 11 THR N N 11 113.110 113.110 116.613 -3.503 18281 4178 1 6 . 1 1 11 11 THR HA H 11 5.170 5.170 4.914 0.256 18281 4179 1 6 . 1 1 11 11 THR C C 11 173.530 173.530 173.428 0.102 18281 4180 1 6 . 1 1 11 11 THR CA C 11 60.940 60.940 59.908 1.032 18281 4181 1 6 . 1 1 11 11 THR CB C 11 71.260 71.260 70.938 0.322 18281 4182 1 6 . 1 1 11 11 THR H H 11 8.470 8.470 7.403 1.067 18281 4183 1 6 . 1 1 12 12 SER N N 12 115.490 115.490 116.692 -1.202 18281 4184 1 6 . 1 1 12 12 SER C C 12 173.530 173.530 172.759 0.771 18281 4185 1 6 . 1 1 12 12 SER CA C 12 56.460 56.460 57.099 -0.638 18281 4186 1 6 . 1 1 12 12 SER CB C 12 66.320 66.320 66.188 0.132 18281 4187 1 6 . 1 1 12 12 SER H H 12 8.870 8.870 8.796 0.074 18281 4188 1 6 . 1 1 13 13 ASP N N 13 126.650 126.650 120.987 5.663 18281 4189 1 6 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.754 -0.014 18281 4190 1 6 . 1 1 13 13 ASP C C 13 174.520 174.520 176.668 -2.148 18281 4191 1 6 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.563 1.467 18281 4192 1 6 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.642 -0.643 18281 4193 1 6 . 1 1 13 13 ASP H H 13 9.060 9.060 8.683 0.377 18281 4194 1 6 . 1 1 14 14 ILE N N 14 123.580 123.580 115.976 7.604 18281 4195 1 6 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.978 0.372 18281 4196 1 6 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.447 -4.057 18281 4197 1 6 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.375 -0.035 18281 4198 1 6 . 1 1 14 14 ILE H H 14 8.470 8.470 8.247 0.223 18281 4199 1 6 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.667 -0.227 18281 4200 1 6 . 1 1 15 15 PRO C C 15 177.130 177.130 177.901 -0.771 18281 4201 1 6 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.568 0.502 18281 4202 1 6 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.542 0.908 18281 4203 1 6 . 1 1 16 16 ALA N N 16 126.780 126.780 125.790 0.990 18281 4204 1 6 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.991 0.009 18281 4205 1 6 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.065 0.035 18281 4206 1 6 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.088 0.212 18281 4207 1 6 . 1 1 16 16 ALA H H 16 8.570 8.570 8.494 0.076 18281 4208 1 6 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.428 -0.528 18281 4209 1 6 . 1 1 17 17 PRO C C 17 179.610 179.610 179.210 0.400 18281 4210 1 6 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.417 0.593 18281 4211 1 6 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.310 -0.410 18281 4212 1 6 . 1 1 18 18 LYS N N 18 116.630 116.630 118.955 -2.325 18281 4213 1 6 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.176 -0.036 18281 4214 1 6 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.493 -0.223 18281 4215 1 6 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.883 0.438 18281 4216 1 6 . 1 1 18 18 LYS H H 18 6.710 6.710 8.098 -1.388 18281 4217 1 6 . 1 1 19 19 LEU N N 19 118.930 118.930 120.237 -1.307 18281 4218 1 6 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.250 -0.410 18281 4219 1 6 . 1 1 19 19 LEU C C 19 178.380 178.380 177.837 0.543 18281 4220 1 6 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.042 0.388 18281 4221 1 6 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.291 -0.201 18281 4222 1 6 . 1 1 19 19 LEU H H 19 7.950 7.950 8.396 -0.446 18281 4223 1 6 . 1 1 20 20 PHE N N 20 118.660 118.660 120.465 -1.805 18281 4224 1 6 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.220 -0.370 18281 4225 1 6 . 1 1 20 20 PHE C C 20 177.680 177.680 177.164 0.516 18281 4226 1 6 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.801 1.079 18281 4227 1 6 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.277 0.143 18281 4228 1 6 . 1 1 20 20 PHE H H 20 9.040 9.040 8.499 0.541 18281 4229 1 6 . 1 1 21 21 LYS N N 21 118.430 118.430 120.086 -1.656 18281 4230 1 6 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.996 -0.226 18281 4231 1 6 . 1 1 21 21 LYS C C 21 176.400 176.400 178.352 -1.952 18281 4232 1 6 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.884 0.276 18281 4233 1 6 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.520 0.480 18281 4234 1 6 . 1 1 21 21 LYS H H 21 7.630 7.630 8.343 -0.713 18281 4235 1 6 . 1 1 22 22 ALA N N 22 118.710 118.710 120.348 -1.638 18281 4236 1 6 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.217 0.553 18281 4237 1 6 . 1 1 22 22 ALA C C 22 175.450 175.450 178.840 -3.390 18281 4238 1 6 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.279 1.260 18281 4239 1 6 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.604 1.596 18281 4240 1 6 . 1 1 22 22 ALA H H 22 7.390 7.390 7.423 -0.033 18281 4241 1 6 . 1 1 23 23 PHE N N 23 109.720 109.720 116.766 -7.046 18281 4242 1 6 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.129 0.111 18281 4243 1 6 . 1 1 23 23 PHE C C 23 174.130 174.130 174.564 -0.434 18281 4244 1 6 . 1 1 23 23 PHE CA C 23 58.320 58.320 59.952 -1.632 18281 4245 1 6 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.960 0.480 18281 4246 1 6 . 1 1 23 23 PHE H H 23 8.400 8.400 7.923 0.477 18281 4247 1 6 . 1 1 24 24 VAL N N 24 113.250 113.250 115.821 -2.571 18281 4248 1 6 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.418 -0.098 18281 4249 1 6 . 1 1 24 24 VAL C C 24 177.660 177.660 177.284 0.376 18281 4250 1 6 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.684 0.816 18281 4251 1 6 . 1 1 24 24 VAL CB C 24 30.880 30.880 31.800 -0.920 18281 4252 1 6 . 1 1 24 24 VAL H H 24 7.220 7.220 7.378 -0.158 18281 4253 1 6 . 1 1 25 25 LEU N N 25 116.250 116.250 122.495 -6.245 18281 4254 1 6 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.001 -0.111 18281 4255 1 6 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.720 0.190 18281 4256 1 6 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.895 -0.895 18281 4257 1 6 . 1 1 25 25 LEU H H 25 7.180 7.180 7.689 -0.509 18281 4258 1 6 . 1 1 26 26 ASP N N 26 117.160 117.160 116.210 0.950 18281 4259 1 6 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.497 0.803 18281 4260 1 6 . 1 1 26 26 ASP C C 26 177.300 177.300 176.232 1.068 18281 4261 1 6 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.959 -0.789 18281 4262 1 6 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.730 3.190 18281 4263 1 6 . 1 1 26 26 ASP H H 26 8.070 8.070 7.732 0.338 18281 4264 1 6 . 1 1 27 27 ALA N N 27 123.040 123.040 123.240 -0.200 18281 4265 1 6 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.582 0.178 18281 4266 1 6 . 1 1 27 27 ALA C C 27 178.900 178.900 178.766 0.134 18281 4267 1 6 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.783 1.257 18281 4268 1 6 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.304 1.126 18281 4269 1 6 . 1 1 27 27 ALA H H 27 6.360 6.360 7.650 -1.290 18281 4270 1 6 . 1 1 28 28 ASP N N 28 115.060 115.060 118.166 -3.106 18281 4271 1 6 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.124 -0.144 18281 4272 1 6 . 1 1 28 28 ASP C C 28 175.850 175.850 177.034 -1.184 18281 4273 1 6 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.229 -1.689 18281 4274 1 6 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.203 -0.563 18281 4275 1 6 . 1 1 28 28 ASP H H 28 8.290 8.290 8.232 0.058 18281 4276 1 6 . 1 1 29 29 ASN N N 29 113.110 113.110 115.924 -2.814 18281 4277 1 6 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.533 0.197 18281 4278 1 6 . 1 1 29 29 ASN C C 29 176.430 176.430 176.903 -0.473 18281 4279 1 6 . 1 1 29 29 ASN CA C 29 53.610 53.610 55.012 -1.402 18281 4280 1 6 . 1 1 29 29 ASN CB C 29 40.260 40.260 38.861 1.399 18281 4281 1 6 . 1 1 29 29 ASN H H 29 7.360 7.360 7.865 -0.505 18281 4282 1 6 . 1 1 30 30 LEU N N 30 120.630 120.630 122.643 -2.013 18281 4283 1 6 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.725 0.295 18281 4284 1 6 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.461 0.339 18281 4285 1 6 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.519 1.261 18281 4286 1 6 . 1 1 30 30 LEU H H 30 8.320 8.320 8.411 -0.091 18281 4287 1 6 . 1 1 31 31 ILE N N 31 116.170 116.170 119.541 -3.371 18281 4288 1 6 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.426 0.224 18281 4289 1 6 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.331 -0.530 18281 4290 1 6 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.160 -1.250 18281 4291 1 6 . 1 1 31 31 ILE H H 31 8.140 8.140 7.933 0.207 18281 4292 1 6 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.097 0.423 18281 4293 1 6 . 1 1 32 32 PRO C C 32 177.680 177.680 177.806 -0.126 18281 4294 1 6 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.446 1.074 18281 4295 1 6 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.271 0.249 18281 4296 1 6 . 1 1 33 33 LYS N N 33 112.410 112.410 118.256 -5.846 18281 4297 1 6 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.031 0.119 18281 4298 1 6 . 1 1 33 33 LYS C C 33 178.220 178.220 179.054 -0.834 18281 4299 1 6 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.281 0.009 18281 4300 1 6 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.961 0.949 18281 4301 1 6 . 1 1 33 33 LYS H H 33 6.880 6.880 7.400 -0.520 18281 4302 1 6 . 1 1 34 34 ILE N N 34 112.260 112.260 117.874 -5.614 18281 4303 1 6 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.834 0.486 18281 4304 1 6 . 1 1 34 34 ILE C C 34 175.920 175.920 176.306 -0.386 18281 4305 1 6 . 1 1 34 34 ILE CA C 34 61.820 61.820 62.975 -1.155 18281 4306 1 6 . 1 1 34 34 ILE CB C 34 39.350 39.350 37.536 1.814 18281 4307 1 6 . 1 1 34 34 ILE H H 34 7.560 7.560 7.588 -0.028 18281 4308 1 6 . 1 1 35 35 ALA N N 35 124.420 124.420 119.882 4.538 18281 4309 1 6 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.644 0.326 18281 4310 1 6 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.664 -0.304 18281 4311 1 6 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.259 0.001 18281 4312 1 6 . 1 1 35 35 ALA H H 35 8.820 8.820 6.999 1.821 18281 4313 1 6 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.303 0.427 18281 4314 1 6 . 1 1 36 36 PRO C C 36 177.890 177.890 177.833 0.057 18281 4315 1 6 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.480 -0.240 18281 4316 1 6 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.441 -0.761 18281 4317 1 6 . 1 1 37 37 GLN N N 37 115.580 115.580 116.833 -1.253 18281 4318 1 6 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.165 0.085 18281 4319 1 6 . 1 1 37 37 GLN C C 37 177.740 177.740 176.925 0.815 18281 4320 1 6 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.917 -0.607 18281 4321 1 6 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.083 -0.563 18281 4322 1 6 . 1 1 37 37 GLN H H 37 8.660 8.660 8.475 0.185 18281 4323 1 6 . 1 1 38 38 ALA N N 38 123.250 123.250 119.518 3.732 18281 4324 1 6 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.415 -0.025 18281 4325 1 6 . 1 1 38 38 ALA C C 38 177.850 177.850 176.948 0.902 18281 4326 1 6 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.549 -0.049 18281 4327 1 6 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.775 0.055 18281 4328 1 6 . 1 1 38 38 ALA H H 38 8.030 8.030 7.270 0.760 18281 4329 1 6 . 1 1 39 39 VAL N N 39 117.330 117.330 111.076 6.254 18281 4330 1 6 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.377 -0.247 18281 4331 1 6 . 1 1 39 39 VAL C C 39 172.750 172.750 174.937 -2.187 18281 4332 1 6 . 1 1 39 39 VAL CA C 39 62.450 62.450 58.878 3.572 18281 4333 1 6 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.772 -1.141 18281 4334 1 6 . 1 1 39 39 VAL H H 39 7.660 7.660 7.210 0.450 18281 4335 1 6 . 1 1 40 40 LYS N N 40 125.270 125.270 122.425 2.845 18281 4336 1 6 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.183 0.277 18281 4337 1 6 . 1 1 40 40 LYS C C 40 177.240 177.240 176.863 0.377 18281 4338 1 6 . 1 1 40 40 LYS CA C 40 57.450 57.450 59.502 -2.052 18281 4339 1 6 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.066 0.934 18281 4340 1 6 . 1 1 40 40 LYS H H 40 8.910 8.910 8.754 0.156 18281 4341 1 6 . 1 1 41 41 CYS N N 41 112.210 112.210 115.617 -3.407 18281 4342 1 6 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.336 0.224 18281 4343 1 6 . 1 1 41 41 CYS C C 41 170.900 170.900 172.643 -1.743 18281 4344 1 6 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.343 -2.324 18281 4345 1 6 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.115 -0.315 18281 4346 1 6 . 1 1 41 41 CYS H H 41 7.680 7.680 7.749 -0.069 18281 4347 1 6 . 1 1 42 42 ALA N N 42 125.620 125.620 129.124 -3.504 18281 4348 1 6 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.625 0.595 18281 4349 1 6 . 1 1 42 42 ALA C C 42 175.690 175.690 176.355 -0.665 18281 4350 1 6 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.623 -0.643 18281 4351 1 6 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.365 2.635 18281 4352 1 6 . 1 1 42 42 ALA H H 42 8.700 8.700 8.619 0.081 18281 4353 1 6 . 1 1 43 43 GLU N N 43 120.730 120.730 123.864 -3.134 18281 4354 1 6 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.663 -0.003 18281 4355 1 6 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.649 -0.279 18281 4356 1 6 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.323 0.797 18281 4357 1 6 . 1 1 43 43 GLU H H 43 8.810 8.810 8.806 0.005 18281 4358 1 6 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.459 -0.419 18281 4359 1 6 . 1 1 44 44 ILE C C 44 176.190 176.190 176.106 0.084 18281 4360 1 6 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.587 1.403 18281 4361 1 6 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.601 -0.821 18281 4362 1 6 . 1 1 45 45 LEU N N 45 129.030 129.030 127.633 1.397 18281 4363 1 6 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.250 0.200 18281 4364 1 6 . 1 1 45 45 LEU C C 45 177.270 177.270 177.467 -0.197 18281 4365 1 6 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.160 -0.150 18281 4366 1 6 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.282 0.198 18281 4367 1 6 . 1 1 45 45 LEU H H 45 9.090 9.090 8.884 0.206 18281 4368 1 6 . 1 1 46 46 GLU N N 46 116.640 116.640 114.154 2.486 18281 4369 1 6 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.492 0.118 18281 4370 1 6 . 1 1 46 46 GLU C C 46 174.840 174.840 175.553 -0.713 18281 4371 1 6 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.749 -0.139 18281 4372 1 6 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.165 0.405 18281 4373 1 6 . 1 1 46 46 GLU H H 46 7.700 7.700 7.493 0.207 18281 4374 1 6 . 1 1 47 47 GLY N N 47 110.230 110.230 110.802 -0.572 18281 4375 1 6 . 1 1 47 47 GLY C C 47 173.630 173.630 173.756 -0.126 18281 4376 1 6 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.578 -0.898 18281 4377 1 6 . 1 1 47 47 GLY H H 47 8.620 8.620 8.754 -0.134 18281 4378 1 6 . 1 1 48 48 ASP N N 48 115.220 115.220 121.328 -6.108 18281 4379 1 6 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.350 0.420 18281 4380 1 6 . 1 1 48 48 ASP C C 48 177.340 177.340 175.817 1.523 18281 4381 1 6 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.662 -1.742 18281 4382 1 6 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.602 2.078 18281 4383 1 6 . 1 1 48 48 ASP H H 48 7.960 7.960 8.401 -0.441 18281 4384 1 6 . 1 1 49 49 GLY N N 49 110.900 110.900 103.926 6.974 18281 4385 1 6 . 1 1 49 49 GLY C C 49 174.750 174.750 174.204 0.546 18281 4386 1 6 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.179 0.131 18281 4387 1 6 . 1 1 49 49 GLY H H 49 8.750 8.750 8.384 0.366 18281 4388 1 6 . 1 1 50 50 GLY N N 50 107.020 107.020 108.114 -1.094 18281 4389 1 6 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.783 0.817 18281 4390 1 6 . 1 1 50 50 GLY H H 50 8.300 8.300 8.306 -0.006 18281 4391 1 6 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.234 -0.274 18281 4392 1 6 . 1 1 51 51 PRO C C 51 176.780 176.780 177.622 -0.842 18281 4393 1 6 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.506 1.494 18281 4394 1 6 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.718 0.152 18281 4395 1 6 . 1 1 52 52 GLY N N 52 114.320 114.320 113.630 0.690 18281 4396 1 6 . 1 1 52 52 GLY C C 52 174.170 174.170 174.128 0.042 18281 4397 1 6 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.602 -0.922 18281 4398 1 6 . 1 1 52 52 GLY H H 52 9.240 9.240 8.839 0.401 18281 4399 1 6 . 1 1 53 53 THR N N 53 118.900 118.900 115.707 3.193 18281 4400 1 6 . 1 1 53 53 THR HA H 53 4.660 4.660 4.457 0.203 18281 4401 1 6 . 1 1 53 53 THR C C 53 173.510 173.510 174.120 -0.610 18281 4402 1 6 . 1 1 53 53 THR CA C 53 64.580 64.580 64.118 0.462 18281 4403 1 6 . 1 1 53 53 THR CB C 53 70.070 70.070 70.232 -0.162 18281 4404 1 6 . 1 1 53 53 THR H H 53 7.910 7.910 7.366 0.544 18281 4405 1 6 . 1 1 54 54 ILE N N 54 124.830 124.830 126.533 -1.703 18281 4406 1 6 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.562 0.748 18281 4407 1 6 . 1 1 54 54 ILE C C 54 175.260 175.260 174.853 0.407 18281 4408 1 6 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.748 -0.878 18281 4409 1 6 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.922 0.528 18281 4410 1 6 . 1 1 54 54 ILE H H 54 8.550 8.550 8.626 -0.076 18281 4411 1 6 . 1 1 55 55 LYS N N 55 126.970 126.970 127.008 -0.038 18281 4412 1 6 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.171 0.129 18281 4413 1 6 . 1 1 55 55 LYS C C 55 173.950 173.950 175.406 -1.456 18281 4414 1 6 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.401 -0.571 18281 4415 1 6 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.827 0.903 18281 4416 1 6 . 1 1 55 55 LYS H H 55 9.400 9.400 9.384 0.016 18281 4417 1 6 . 1 1 56 56 LYS N N 56 124.220 124.220 123.995 0.225 18281 4418 1 6 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.939 0.341 18281 4419 1 6 . 1 1 56 56 LYS C C 56 175.230 175.230 174.331 0.899 18281 4420 1 6 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.756 -0.966 18281 4421 1 6 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.326 -0.266 18281 4422 1 6 . 1 1 56 56 LYS H H 56 9.360 9.360 9.171 0.189 18281 4423 1 6 . 1 1 57 57 ILE N N 57 132.380 132.380 127.774 4.606 18281 4424 1 6 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.347 0.293 18281 4425 1 6 . 1 1 57 57 ILE C C 57 174.840 174.840 174.732 0.108 18281 4426 1 6 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.222 0.258 18281 4427 1 6 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.803 -1.533 18281 4428 1 6 . 1 1 57 57 ILE H H 57 9.240 9.240 9.273 -0.033 18281 4429 1 6 . 1 1 58 58 THR N N 58 122.310 122.310 122.891 -0.581 18281 4430 1 6 . 1 1 58 58 THR HA H 58 5.180 5.180 4.747 0.433 18281 4431 1 6 . 1 1 58 58 THR C C 58 174.260 174.260 173.339 0.921 18281 4432 1 6 . 1 1 58 58 THR CA C 58 61.720 61.720 61.667 0.053 18281 4433 1 6 . 1 1 58 58 THR CB C 58 70.640 70.640 69.844 0.796 18281 4434 1 6 . 1 1 58 58 THR H H 58 8.720 8.720 8.309 0.411 18281 4435 1 6 . 1 1 59 59 PHE N N 59 124.570 124.570 126.516 -1.946 18281 4436 1 6 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.991 0.029 18281 4437 1 6 . 1 1 59 59 PHE C C 59 174.510 174.510 176.598 -2.088 18281 4438 1 6 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.592 -1.142 18281 4439 1 6 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.274 0.736 18281 4440 1 6 . 1 1 59 59 PHE H H 59 8.570 8.570 8.462 0.108 18281 4441 1 6 . 1 1 60 60 GLY N N 60 104.600 104.600 110.672 -6.072 18281 4442 1 6 . 1 1 60 60 GLY C C 60 173.500 173.500 173.231 0.269 18281 4443 1 6 . 1 1 60 60 GLY CA C 60 44.830 44.830 43.897 0.933 18281 4444 1 6 . 1 1 60 60 GLY H H 60 7.800 7.800 7.985 -0.185 18281 4445 1 6 . 1 1 61 61 GLU N N 61 119.400 119.400 119.520 -0.120 18281 4446 1 6 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.121 -0.011 18281 4447 1 6 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.520 -0.720 18281 4448 1 6 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.515 1.425 18281 4449 1 6 . 1 1 61 61 GLU H H 61 8.290 8.290 8.363 -0.073 18281 4450 1 6 . 1 1 62 62 GLY N N 62 110.940 110.940 112.838 -1.898 18281 4451 1 6 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.716 1.484 18281 4452 1 6 . 1 1 62 62 GLY H H 62 8.870 8.870 8.007 0.863 18281 4453 1 6 . 1 1 66 66 GLY C C 66 176.930 176.930 172.303 4.627 18281 4454 1 6 . 1 1 66 66 GLY CA C 66 45.080 45.080 44.872 0.208 18281 4455 1 6 . 1 1 67 67 TYR N N 67 115.490 115.490 117.543 -2.053 18281 4456 1 6 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.618 -0.038 18281 4457 1 6 . 1 1 67 67 TYR C C 67 175.470 175.470 174.535 0.935 18281 4458 1 6 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.520 0.400 18281 4459 1 6 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.981 -0.261 18281 4460 1 6 . 1 1 67 67 TYR H H 67 8.110 8.110 7.846 0.264 18281 4461 1 6 . 1 1 68 68 VAL N N 68 111.980 111.980 116.696 -4.716 18281 4462 1 6 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.838 0.182 18281 4463 1 6 . 1 1 68 68 VAL C C 68 175.480 175.480 174.673 0.807 18281 4464 1 6 . 1 1 68 68 VAL CA C 68 59.500 59.500 59.623 -0.123 18281 4465 1 6 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.521 0.939 18281 4466 1 6 . 1 1 68 68 VAL H H 68 8.840 8.840 8.829 0.011 18281 4467 1 6 . 1 1 69 69 LYS N N 69 118.430 118.430 123.723 -5.293 18281 4468 1 6 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.120 0.580 18281 4469 1 6 . 1 1 69 69 LYS C C 69 175.740 175.740 175.491 0.249 18281 4470 1 6 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.731 0.639 18281 4471 1 6 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.569 1.011 18281 4472 1 6 . 1 1 69 69 LYS H H 69 8.590 8.590 9.133 -0.543 18281 4473 1 6 . 1 1 70 70 HIS N N 70 122.590 122.590 120.608 1.982 18281 4474 1 6 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.305 0.885 18281 4475 1 6 . 1 1 70 70 HIS C C 70 174.590 174.590 173.531 1.059 18281 4476 1 6 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.362 -3.522 18281 4477 1 6 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.823 2.187 18281 4478 1 6 . 1 1 70 70 HIS H H 70 9.160 9.160 9.086 0.074 18281 4479 1 6 . 1 1 71 71 LYS N N 71 122.760 122.760 123.771 -1.011 18281 4480 1 6 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.507 -0.017 18281 4481 1 6 . 1 1 71 71 LYS C C 71 175.500 175.500 174.930 0.570 18281 4482 1 6 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.880 0.160 18281 4483 1 6 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.147 -0.277 18281 4484 1 6 . 1 1 71 71 LYS H H 71 9.460 9.460 9.191 0.269 18281 4485 1 6 . 1 1 72 72 ILE N N 72 127.870 127.870 125.973 1.897 18281 4486 1 6 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.223 -0.343 18281 4487 1 6 . 1 1 72 72 ILE C C 72 175.430 175.430 175.836 -0.406 18281 4488 1 6 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.720 1.680 18281 4489 1 6 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.362 -1.322 18281 4490 1 6 . 1 1 72 72 ILE H H 72 9.320 9.320 8.916 0.404 18281 4491 1 6 . 1 1 73 73 HIS N N 73 127.690 127.690 125.799 1.891 18281 4492 1 6 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.632 0.488 18281 4493 1 6 . 1 1 73 73 HIS C C 73 176.240 176.240 174.821 1.419 18281 4494 1 6 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.974 -1.004 18281 4495 1 6 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.715 0.225 18281 4496 1 6 . 1 1 73 73 HIS H H 73 9.080 9.080 8.348 0.732 18281 4497 1 6 . 1 1 74 74 SER N N 74 110.900 110.900 111.936 -1.036 18281 4498 1 6 . 1 1 74 74 SER HA H 74 4.760 4.760 4.623 0.137 18281 4499 1 6 . 1 1 74 74 SER C C 74 172.620 172.620 172.143 0.477 18281 4500 1 6 . 1 1 74 74 SER CA C 74 57.880 57.880 57.548 0.332 18281 4501 1 6 . 1 1 74 74 SER CB C 74 66.790 66.790 64.692 2.098 18281 4502 1 6 . 1 1 74 74 SER H H 74 8.180 8.180 7.908 0.272 18281 4503 1 6 . 1 1 75 75 ILE N N 75 123.780 123.780 118.263 5.517 18281 4504 1 6 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.036 -0.356 18281 4505 1 6 . 1 1 75 75 ILE C C 75 174.010 174.010 174.148 -0.138 18281 4506 1 6 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.403 2.737 18281 4507 1 6 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.866 -0.556 18281 4508 1 6 . 1 1 75 75 ILE H H 75 8.730 8.730 8.309 0.421 18281 4509 1 6 . 1 1 76 76 ASP N N 76 127.280 127.280 126.086 1.194 18281 4510 1 6 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.044 0.036 18281 4511 1 6 . 1 1 76 76 ASP C C 76 176.680 176.680 175.999 0.681 18281 4512 1 6 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.102 -0.972 18281 4513 1 6 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.816 -0.266 18281 4514 1 6 . 1 1 76 76 ASP H H 76 9.110 9.110 9.097 0.013 18281 4515 1 6 . 1 1 77 77 LYS N N 77 122.400 122.400 123.157 -0.757 18281 4516 1 6 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.499 0.481 18281 4517 1 6 . 1 1 77 77 LYS C C 77 175.980 175.980 177.294 -1.314 18281 4518 1 6 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.584 -2.164 18281 4519 1 6 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.361 0.419 18281 4520 1 6 . 1 1 77 77 LYS H H 77 8.890 8.890 8.639 0.251 18281 4521 1 6 . 1 1 78 78 VAL N N 78 119.300 119.300 116.922 2.378 18281 4522 1 6 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.566 0.094 18281 4523 1 6 . 1 1 78 78 VAL C C 78 176.290 176.290 176.162 0.128 18281 4524 1 6 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.582 -0.162 18281 4525 1 6 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.615 0.485 18281 4526 1 6 . 1 1 78 78 VAL H H 78 8.110 8.110 8.042 0.068 18281 4527 1 6 . 1 1 79 79 ASN N N 79 114.400 114.400 115.357 -0.957 18281 4528 1 6 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.638 -0.158 18281 4529 1 6 . 1 1 79 79 ASN C C 79 173.670 173.670 174.477 -0.807 18281 4530 1 6 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.947 -0.407 18281 4531 1 6 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.991 1.099 18281 4532 1 6 . 1 1 79 79 ASN H H 79 7.700 7.700 7.856 -0.156 18281 4533 1 6 . 1 1 80 80 HIS N N 80 115.530 115.530 114.590 0.940 18281 4534 1 6 . 1 1 80 80 HIS C C 80 173.450 173.450 173.250 0.200 18281 4535 1 6 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.850 -0.320 18281 4536 1 6 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.589 0.611 18281 4537 1 6 . 1 1 80 80 HIS H H 80 6.980 6.980 7.026 -0.046 18281 4538 1 6 . 1 1 81 81 THR N N 81 109.600 109.600 113.561 -3.961 18281 4539 1 6 . 1 1 81 81 THR HA H 81 5.730 5.730 5.060 0.670 18281 4540 1 6 . 1 1 81 81 THR C C 81 172.980 172.980 172.733 0.247 18281 4541 1 6 . 1 1 81 81 THR CA C 81 60.190 60.190 62.313 -2.123 18281 4542 1 6 . 1 1 81 81 THR CB C 81 71.740 71.740 71.721 0.019 18281 4543 1 6 . 1 1 81 81 THR H H 81 7.990 7.990 7.861 0.129 18281 4544 1 6 . 1 1 82 82 TYR N N 82 125.000 125.000 129.122 -4.122 18281 4545 1 6 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.994 0.706 18281 4546 1 6 . 1 1 82 82 TYR C C 82 173.600 173.600 173.477 0.123 18281 4547 1 6 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.789 -1.460 18281 4548 1 6 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.221 0.589 18281 4549 1 6 . 1 1 82 82 TYR H H 82 9.300 9.300 9.176 0.124 18281 4550 1 6 . 1 1 83 83 SER N N 83 121.820 121.820 122.627 -0.807 18281 4551 1 6 . 1 1 83 83 SER HA H 83 5.670 5.670 5.096 0.574 18281 4552 1 6 . 1 1 83 83 SER C C 83 173.490 173.490 172.911 0.579 18281 4553 1 6 . 1 1 83 83 SER CA C 83 56.420 56.420 56.829 -0.409 18281 4554 1 6 . 1 1 83 83 SER CB C 83 65.520 65.520 65.764 -0.244 18281 4555 1 6 . 1 1 83 83 SER H H 83 9.090 9.090 8.113 0.977 18281 4556 1 6 . 1 1 84 84 TYR N N 84 122.970 122.970 120.644 2.326 18281 4557 1 6 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.324 -0.094 18281 4558 1 6 . 1 1 84 84 TYR C C 84 172.530 172.530 173.356 -0.826 18281 4559 1 6 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.525 -0.105 18281 4560 1 6 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.480 -0.530 18281 4561 1 6 . 1 1 84 84 TYR H H 84 8.790 8.790 8.861 -0.071 18281 4562 1 6 . 1 1 85 85 SER N N 85 114.200 114.200 113.348 0.852 18281 4563 1 6 . 1 1 85 85 SER HA H 85 5.700 5.700 5.146 0.554 18281 4564 1 6 . 1 1 85 85 SER C C 85 173.180 173.180 172.639 0.541 18281 4565 1 6 . 1 1 85 85 SER CA C 85 57.510 57.510 56.841 0.669 18281 4566 1 6 . 1 1 85 85 SER CB C 85 65.940 65.940 66.948 -1.008 18281 4567 1 6 . 1 1 85 85 SER H H 85 9.350 9.350 9.440 -0.090 18281 4568 1 6 . 1 1 86 86 LEU N N 86 128.880 128.880 122.181 6.699 18281 4569 1 6 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.593 0.637 18281 4570 1 6 . 1 1 86 86 LEU C C 86 176.230 176.230 175.916 0.314 18281 4571 1 6 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.975 1.615 18281 4572 1 6 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.867 0.283 18281 4573 1 6 . 1 1 86 86 LEU H H 86 9.900 9.900 8.987 0.913 18281 4574 1 6 . 1 1 87 87 ILE N N 87 115.900 115.900 126.038 -10.138 18281 4575 1 6 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.049 0.881 18281 4576 1 6 . 1 1 87 87 ILE C C 87 176.080 176.080 175.913 0.167 18281 4577 1 6 . 1 1 87 87 ILE CA C 87 61.270 61.270 63.303 -2.033 18281 4578 1 6 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.995 0.835 18281 4579 1 6 . 1 1 87 87 ILE H H 87 8.180 8.180 8.490 -0.310 18281 4580 1 6 . 1 1 88 88 GLU N N 88 121.920 121.920 118.985 2.935 18281 4581 1 6 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.485 0.025 18281 4582 1 6 . 1 1 88 88 GLU C C 88 174.020 174.020 174.942 -0.922 18281 4583 1 6 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.130 1.910 18281 4584 1 6 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.642 2.328 18281 4585 1 6 . 1 1 88 88 GLU H H 88 7.650 7.650 7.792 -0.142 18281 4586 1 6 . 1 1 89 89 GLY N N 89 111.650 111.650 108.426 3.224 18281 4587 1 6 . 1 1 89 89 GLY C C 89 173.800 173.800 173.444 0.356 18281 4588 1 6 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.455 0.495 18281 4589 1 6 . 1 1 89 89 GLY H H 89 8.830 8.830 8.120 0.710 18281 4590 1 6 . 1 1 90 90 ASP N N 90 119.650 119.650 123.386 -3.736 18281 4591 1 6 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.164 0.196 18281 4592 1 6 . 1 1 90 90 ASP C C 90 176.570 176.570 177.276 -0.706 18281 4593 1 6 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.977 0.062 18281 4594 1 6 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.569 0.711 18281 4595 1 6 . 1 1 90 90 ASP H H 90 8.430 8.430 8.786 -0.356 18281 4596 1 6 . 1 1 91 91 ALA N N 91 118.530 118.530 118.931 -0.401 18281 4597 1 6 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.134 0.106 18281 4598 1 6 . 1 1 91 91 ALA C C 91 177.740 177.740 178.349 -0.609 18281 4599 1 6 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.899 -0.689 18281 4600 1 6 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.831 0.479 18281 4601 1 6 . 1 1 91 91 ALA H H 91 7.810 7.810 8.317 -0.507 18281 4602 1 6 . 1 1 92 92 LEU N N 92 117.330 117.330 117.477 -0.147 18281 4603 1 6 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.397 0.063 18281 4604 1 6 . 1 1 92 92 LEU C C 92 176.210 176.210 176.626 -0.416 18281 4605 1 6 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.780 -1.760 18281 4606 1 6 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.916 -2.706 18281 4607 1 6 . 1 1 92 92 LEU H H 92 7.600 7.600 7.658 -0.058 18281 4608 1 6 . 1 1 93 93 SER N N 93 115.780 115.780 113.441 2.339 18281 4609 1 6 . 1 1 93 93 SER HA H 93 4.620 4.620 3.971 0.649 18281 4610 1 6 . 1 1 93 93 SER C C 93 173.970 173.970 175.293 -1.323 18281 4611 1 6 . 1 1 93 93 SER CA C 93 57.730 57.730 58.849 -1.119 18281 4612 1 6 . 1 1 93 93 SER CB C 93 64.920 64.920 63.424 1.496 18281 4613 1 6 . 1 1 93 93 SER H H 93 7.910 7.910 8.226 -0.316 18281 4614 1 6 . 1 1 94 94 GLU N N 94 119.400 119.400 121.076 -1.676 18281 4615 1 6 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.207 -0.047 18281 4616 1 6 . 1 1 94 94 GLU C C 94 176.570 176.570 177.548 -0.978 18281 4617 1 6 . 1 1 94 94 GLU CA C 94 58.700 58.700 59.039 -0.339 18281 4618 1 6 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.480 -0.270 18281 4619 1 6 . 1 1 94 94 GLU H H 94 8.850 8.850 8.944 -0.094 18281 4620 1 6 . 1 1 95 95 ASN N N 95 113.460 113.460 115.412 -1.952 18281 4621 1 6 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.636 0.164 18281 4622 1 6 . 1 1 95 95 ASN C C 95 174.070 174.070 174.558 -0.488 18281 4623 1 6 . 1 1 95 95 ASN CA C 95 54.120 54.120 55.112 -0.992 18281 4624 1 6 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.299 0.051 18281 4625 1 6 . 1 1 95 95 ASN H H 95 8.290 8.290 8.319 -0.029 18281 4626 1 6 . 1 1 96 96 ILE N N 96 120.610 120.610 113.982 6.628 18281 4627 1 6 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.587 -0.397 18281 4628 1 6 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.494 0.436 18281 4629 1 6 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.436 -0.566 18281 4630 1 6 . 1 1 96 96 ILE H H 96 7.770 7.770 7.478 0.292 18281 4631 1 6 . 1 1 97 97 GLU N N 97 126.670 126.670 126.753 -0.083 18281 4632 1 6 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.591 0.199 18281 4633 1 6 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.401 0.799 18281 4634 1 6 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.215 1.735 18281 4635 1 6 . 1 1 97 97 GLU H H 97 8.460 8.460 8.459 0.001 18281 4636 1 6 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.420 0.290 18281 4637 1 6 . 1 1 98 98 LYS C C 98 173.650 173.650 173.934 -0.284 18281 4638 1 6 . 1 1 98 98 LYS CA C 98 55.970 55.970 56.917 -0.947 18281 4639 1 6 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.941 0.859 18281 4640 1 6 . 1 1 99 99 ILE N N 99 120.290 120.290 125.478 -5.188 18281 4641 1 6 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.750 0.040 18281 4642 1 6 . 1 1 99 99 ILE C C 99 174.690 174.690 173.806 0.884 18281 4643 1 6 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.629 0.671 18281 4644 1 6 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.036 0.514 18281 4645 1 6 . 1 1 99 99 ILE H H 99 7.720 7.720 8.095 -0.375 18281 4646 1 6 . 1 1 100 100 ASP N N 100 126.970 126.970 127.295 -0.325 18281 4647 1 6 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.870 0.230 18281 4648 1 6 . 1 1 100 100 ASP C C 100 174.490 174.490 174.210 0.280 18281 4649 1 6 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.181 0.449 18281 4650 1 6 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.184 0.666 18281 4651 1 6 . 1 1 100 100 ASP H H 100 9.220 9.220 7.951 1.269 18281 4652 1 6 . 1 1 101 101 TYR N N 101 120.640 120.640 124.253 -3.613 18281 4653 1 6 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.926 0.354 18281 4654 1 6 . 1 1 101 101 TYR C C 101 175.740 175.740 175.489 0.251 18281 4655 1 6 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.698 0.282 18281 4656 1 6 . 1 1 101 101 TYR CB C 101 41.640 41.640 40.647 0.993 18281 4657 1 6 . 1 1 101 101 TYR H H 101 9.140 9.140 8.786 0.354 18281 4658 1 6 . 1 1 102 102 GLU N N 102 122.040 122.040 121.810 0.230 18281 4659 1 6 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.813 0.317 18281 4660 1 6 . 1 1 102 102 GLU C C 102 175.360 175.360 175.540 -0.180 18281 4661 1 6 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.409 0.461 18281 4662 1 6 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.901 -0.831 18281 4663 1 6 . 1 1 102 102 GLU H H 102 8.670 8.670 8.772 -0.102 18281 4664 1 6 . 1 1 103 103 THR N N 103 125.840 125.840 120.277 5.563 18281 4665 1 6 . 1 1 103 103 THR HA H 103 5.580 5.580 5.083 0.497 18281 4666 1 6 . 1 1 103 103 THR C C 103 172.780 172.780 173.374 -0.594 18281 4667 1 6 . 1 1 103 103 THR CA C 103 62.150 62.150 61.401 0.749 18281 4668 1 6 . 1 1 103 103 THR CB C 103 71.750 71.750 71.335 0.415 18281 4669 1 6 . 1 1 103 103 THR H H 103 9.550 9.550 9.345 0.205 18281 4670 1 6 . 1 1 104 104 LYS N N 104 126.990 126.990 127.452 -0.462 18281 4671 1 6 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.834 0.406 18281 4672 1 6 . 1 1 104 104 LYS C C 104 174.300 174.300 174.087 0.213 18281 4673 1 6 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.548 -0.218 18281 4674 1 6 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.144 -0.204 18281 4675 1 6 . 1 1 104 104 LYS H H 104 9.430 9.430 8.551 0.879 18281 4676 1 6 . 1 1 105 105 LEU N N 105 124.700 124.700 128.250 -3.550 18281 4677 1 6 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.602 0.608 18281 4678 1 6 . 1 1 105 105 LEU C C 105 175.780 175.780 175.781 -0.001 18281 4679 1 6 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.278 0.342 18281 4680 1 6 . 1 1 105 105 LEU CB C 105 41.950 41.950 43.013 -1.063 18281 4681 1 6 . 1 1 105 105 LEU H H 105 8.410 8.410 8.444 -0.034 18281 4682 1 6 . 1 1 106 106 VAL N N 106 123.290 123.290 122.742 0.548 18281 4683 1 6 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.447 -0.017 18281 4684 1 6 . 1 1 106 106 VAL C C 106 175.560 175.560 174.616 0.944 18281 4685 1 6 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.361 0.109 18281 4686 1 6 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.882 -0.862 18281 4687 1 6 . 1 1 106 106 VAL H H 106 9.180 9.180 9.118 0.062 18281 4688 1 6 . 1 1 107 107 SER N N 107 121.800 121.800 119.240 2.560 18281 4689 1 6 . 1 1 107 107 SER HA H 107 4.660 4.660 4.763 -0.103 18281 4690 1 6 . 1 1 107 107 SER C C 107 173.600 173.600 173.532 0.068 18281 4691 1 6 . 1 1 107 107 SER CA C 107 59.860 59.860 56.971 2.889 18281 4692 1 6 . 1 1 107 107 SER CB C 107 63.250 63.250 65.122 -1.872 18281 4693 1 6 . 1 1 107 107 SER H H 107 8.910 8.910 8.333 0.577 18281 4694 1 6 . 1 1 108 108 ALA N N 108 129.210 129.210 126.270 2.940 18281 4695 1 6 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.904 -0.274 18281 4696 1 6 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.583 1.038 18281 4697 1 6 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.659 0.141 18281 4698 1 6 . 1 1 108 108 ALA H H 108 8.310 8.310 8.392 -0.082 18281 4699 1 6 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.222 0.198 18281 4700 1 6 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.777 -1.077 18281 4701 1 6 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.422 0.778 18281 4702 1 6 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.509 0.261 18281 4703 1 6 . 1 1 110 110 HIS C C 110 175.760 175.760 176.255 -0.495 18281 4704 1 6 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.659 -1.269 18281 4705 1 6 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.654 -0.243 18281 4706 1 6 . 1 1 111 111 GLY N N 111 108.720 108.720 107.480 1.240 18281 4707 1 6 . 1 1 111 111 GLY C C 111 174.390 174.390 173.842 0.548 18281 4708 1 6 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.205 -0.075 18281 4709 1 6 . 1 1 111 111 GLY H H 111 7.730 7.730 7.889 -0.159 18281 4710 1 6 . 1 1 112 112 GLY N N 112 107.670 107.670 108.253 -0.583 18281 4711 1 6 . 1 1 112 112 GLY C C 112 174.150 174.150 173.223 0.927 18281 4712 1 6 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.274 0.146 18281 4713 1 6 . 1 1 112 112 GLY H H 112 7.600 7.600 7.867 -0.267 18281 4714 1 6 . 1 1 113 113 THR N N 113 119.830 119.830 116.414 3.416 18281 4715 1 6 . 1 1 113 113 THR HA H 113 5.060 5.060 4.837 0.223 18281 4716 1 6 . 1 1 113 113 THR C C 113 173.250 173.250 173.440 -0.190 18281 4717 1 6 . 1 1 113 113 THR CA C 113 62.990 62.990 62.158 0.832 18281 4718 1 6 . 1 1 113 113 THR CB C 113 72.270 72.270 70.445 1.825 18281 4719 1 6 . 1 1 113 113 THR H H 113 9.070 9.070 8.054 1.016 18281 4720 1 6 . 1 1 114 114 ILE N N 114 127.600 127.600 127.974 -0.374 18281 4721 1 6 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.347 0.163 18281 4722 1 6 . 1 1 114 114 ILE C C 114 174.370 174.370 174.558 -0.188 18281 4723 1 6 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.260 -0.100 18281 4724 1 6 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.031 0.939 18281 4725 1 6 . 1 1 114 114 ILE H H 114 9.490 9.490 9.127 0.363 18281 4726 1 6 . 1 1 115 115 ILE N N 115 129.200 129.200 127.471 1.729 18281 4727 1 6 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.814 -0.314 18281 4728 1 6 . 1 1 115 115 ILE C C 115 175.000 175.000 174.829 0.171 18281 4729 1 6 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.983 1.417 18281 4730 1 6 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.260 -2.260 18281 4731 1 6 . 1 1 115 115 ILE H H 115 9.220 9.220 9.363 -0.143 18281 4732 1 6 . 1 1 116 116 LYS N N 116 127.550 127.550 127.759 -0.209 18281 4733 1 6 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.328 -0.158 18281 4734 1 6 . 1 1 116 116 LYS C C 116 176.300 176.300 175.685 0.615 18281 4735 1 6 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.879 0.491 18281 4736 1 6 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.175 -0.595 18281 4737 1 6 . 1 1 116 116 LYS H H 116 9.130 9.130 8.819 0.311 18281 4738 1 6 . 1 1 117 117 THR N N 117 120.940 120.940 122.498 -1.558 18281 4739 1 6 . 1 1 117 117 THR HA H 117 5.730 5.730 5.295 0.435 18281 4740 1 6 . 1 1 117 117 THR C C 117 174.620 174.620 173.840 0.780 18281 4741 1 6 . 1 1 117 117 THR CA C 117 60.990 60.990 61.555 -0.565 18281 4742 1 6 . 1 1 117 117 THR CB C 117 71.750 71.750 71.382 0.368 18281 4743 1 6 . 1 1 117 117 THR H H 117 9.020 9.020 9.054 -0.034 18281 4744 1 6 . 1 1 118 118 THR N N 118 125.750 125.750 124.567 1.183 18281 4745 1 6 . 1 1 118 118 THR HA H 118 5.170 5.170 5.551 -0.381 18281 4746 1 6 . 1 1 118 118 THR C C 118 173.760 173.760 173.399 0.361 18281 4747 1 6 . 1 1 118 118 THR CA C 118 61.800 61.800 61.387 0.413 18281 4748 1 6 . 1 1 118 118 THR CB C 118 70.720 70.720 70.602 0.118 18281 4749 1 6 . 1 1 118 118 THR H H 118 9.500 9.500 8.698 0.802 18281 4750 1 6 . 1 1 119 119 SER N N 119 122.250 122.250 120.401 1.849 18281 4751 1 6 . 1 1 119 119 SER HA H 119 5.270 5.270 5.127 0.143 18281 4752 1 6 . 1 1 119 119 SER C C 119 172.960 172.960 172.879 0.081 18281 4753 1 6 . 1 1 119 119 SER CA C 119 55.860 55.860 56.622 -0.762 18281 4754 1 6 . 1 1 119 119 SER CB C 119 66.720 66.720 66.156 0.564 18281 4755 1 6 . 1 1 119 119 SER H H 119 9.410 9.410 9.267 0.143 18281 4756 1 6 . 1 1 120 120 LYS N N 120 124.120 124.120 124.639 -0.519 18281 4757 1 6 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.855 0.385 18281 4758 1 6 . 1 1 120 120 LYS C C 120 174.780 174.780 174.835 -0.055 18281 4759 1 6 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.271 -0.441 18281 4760 1 6 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.304 -0.144 18281 4761 1 6 . 1 1 120 120 LYS H H 120 9.150 9.150 7.736 1.414 18281 4762 1 6 . 1 1 121 121 TYR N N 121 126.500 126.500 123.980 2.520 18281 4763 1 6 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.720 0.280 18281 4764 1 6 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.341 -1.141 18281 4765 1 6 . 1 1 121 121 TYR H H 121 9.800 9.800 9.008 0.792 18281 4766 1 6 . 1 1 122 122 HIS C C 122 174.670 174.670 174.271 0.399 18281 4767 1 6 . 1 1 123 123 THR N N 123 125.750 125.750 110.212 15.538 18281 4768 1 6 . 1 1 123 123 THR HA H 123 5.400 5.400 4.605 0.795 18281 4769 1 6 . 1 1 123 123 THR C C 123 174.460 174.460 173.965 0.495 18281 4770 1 6 . 1 1 123 123 THR CA C 123 60.230 60.230 60.747 -0.517 18281 4771 1 6 . 1 1 123 123 THR CB C 123 71.260 71.260 71.651 -0.391 18281 4772 1 6 . 1 1 123 123 THR H H 123 8.920 8.920 8.185 0.735 18281 4773 1 6 . 1 1 124 124 LYS N N 124 121.170 121.170 123.716 -2.546 18281 4774 1 6 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.108 0.652 18281 4775 1 6 . 1 1 124 124 LYS C C 124 176.450 176.450 176.962 -0.512 18281 4776 1 6 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.338 -2.828 18281 4777 1 6 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.812 1.088 18281 4778 1 6 . 1 1 124 124 LYS H H 124 8.590 8.590 8.597 -0.007 18281 4779 1 6 . 1 1 125 125 GLY N N 125 110.070 110.070 106.212 3.858 18281 4780 1 6 . 1 1 125 125 GLY C C 125 173.620 173.620 174.842 -1.222 18281 4781 1 6 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.860 -0.590 18281 4782 1 6 . 1 1 125 125 GLY H H 125 8.390 8.390 8.369 0.021 18281 4783 1 6 . 1 1 126 126 ASP N N 126 120.070 120.070 121.070 -1.000 18281 4784 1 6 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.877 -0.207 18281 4785 1 6 . 1 1 126 126 ASP C C 126 175.580 175.580 175.377 0.203 18281 4786 1 6 . 1 1 126 126 ASP CA C 126 54.290 54.290 54.005 0.285 18281 4787 1 6 . 1 1 126 126 ASP CB C 126 40.360 40.360 41.189 -0.829 18281 4788 1 6 . 1 1 126 126 ASP H H 126 8.440 8.440 8.529 -0.089 18281 4789 1 6 . 1 1 127 127 VAL N N 127 119.620 119.620 121.454 -1.834 18281 4790 1 6 . 1 1 127 127 VAL HA H 127 4.240 4.240 4.179 0.061 18281 4791 1 6 . 1 1 127 127 VAL C C 127 174.610 174.610 175.185 -0.575 18281 4792 1 6 . 1 1 127 127 VAL CA C 127 61.230 61.230 61.003 0.227 18281 4793 1 6 . 1 1 127 127 VAL CB C 127 34.250 34.250 31.510 2.740 18281 4794 1 6 . 1 1 127 127 VAL H H 127 7.620 7.620 8.024 -0.404 18281 4795 1 6 . 1 1 128 128 GLU N N 128 125.030 125.030 126.570 -1.540 18281 4796 1 6 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.577 -0.447 18281 4797 1 6 . 1 1 128 128 GLU C C 128 175.680 175.680 175.628 0.052 18281 4798 1 6 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.628 -0.088 18281 4799 1 6 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.609 -0.819 18281 4800 1 6 . 1 1 128 128 GLU H H 128 8.330 8.330 8.463 -0.133 18281 4801 1 6 . 1 1 129 129 ILE N N 129 124.070 124.070 119.984 4.086 18281 4802 1 6 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.410 -0.450 18281 4803 1 6 . 1 1 129 129 ILE C C 129 175.960 175.960 174.392 1.568 18281 4804 1 6 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.776 -0.426 18281 4805 1 6 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.281 -3.601 18281 4806 1 6 . 1 1 129 129 ILE H H 129 7.380 7.380 8.112 -0.732 18281 4807 1 6 . 1 1 130 130 LYS N N 130 127.800 127.800 122.427 5.373 18281 4808 1 6 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.589 -0.309 18281 4809 1 6 . 1 1 130 130 LYS C C 130 177.660 177.660 176.751 0.909 18281 4810 1 6 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.594 0.255 18281 4811 1 6 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.171 -0.361 18281 4812 1 6 . 1 1 130 130 LYS H H 130 8.790 8.790 8.712 0.078 18281 4813 1 6 . 1 1 131 131 GLU N N 131 125.060 125.060 125.700 -0.640 18281 4814 1 6 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.866 -0.056 18281 4815 1 6 . 1 1 131 131 GLU C C 131 178.630 178.630 178.222 0.408 18281 4816 1 6 . 1 1 131 131 GLU CA C 131 59.510 59.510 59.985 -0.475 18281 4817 1 6 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.706 -0.406 18281 4818 1 6 . 1 1 131 131 GLU H H 131 8.880 8.880 9.167 -0.287 18281 4819 1 6 . 1 1 132 132 GLU N N 132 117.220 117.220 117.451 -0.231 18281 4820 1 6 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.932 0.048 18281 4821 1 6 . 1 1 132 132 GLU C C 132 178.630 178.630 179.040 -0.410 18281 4822 1 6 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.175 0.435 18281 4823 1 6 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.024 -0.044 18281 4824 1 6 . 1 1 132 132 GLU H H 132 9.200 9.200 8.838 0.362 18281 4825 1 6 . 1 1 133 133 HIS N N 133 119.810 119.810 118.405 1.405 18281 4826 1 6 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.407 0.063 18281 4827 1 6 . 1 1 133 133 HIS C C 133 178.430 178.430 177.815 0.615 18281 4828 1 6 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.136 0.994 18281 4829 1 6 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.688 1.632 18281 4830 1 6 . 1 1 133 133 HIS H H 133 7.500 7.500 7.363 0.137 18281 4831 1 6 . 1 1 134 134 VAL N N 134 120.370 120.370 119.900 0.470 18281 4832 1 6 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.346 0.304 18281 4833 1 6 . 1 1 134 134 VAL C C 134 179.170 179.170 177.406 1.764 18281 4834 1 6 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.282 -1.102 18281 4835 1 6 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.834 0.876 18281 4836 1 6 . 1 1 134 134 VAL H H 134 7.290 7.290 7.952 -0.662 18281 4837 1 6 . 1 1 135 135 LYS N N 135 121.310 121.310 119.971 1.339 18281 4838 1 6 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.629 0.331 18281 4839 1 6 . 1 1 135 135 LYS C C 135 178.310 178.310 178.598 -0.288 18281 4840 1 6 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.891 -0.561 18281 4841 1 6 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.174 0.006 18281 4842 1 6 . 1 1 135 135 LYS H H 135 8.310 8.310 8.268 0.042 18281 4843 1 6 . 1 1 136 136 ALA N N 136 121.150 121.150 120.735 0.415 18281 4844 1 6 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.086 0.144 18281 4845 1 6 . 1 1 136 136 ALA C C 136 180.930 180.930 179.584 1.346 18281 4846 1 6 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.307 -0.287 18281 4847 1 6 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.125 -0.375 18281 4848 1 6 . 1 1 136 136 ALA H H 136 7.950 7.950 7.567 0.383 18281 4849 1 6 . 1 1 137 137 GLY N N 137 105.640 105.640 106.629 -0.989 18281 4850 1 6 . 1 1 137 137 GLY C C 137 177.000 177.000 176.323 0.677 18281 4851 1 6 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.099 0.061 18281 4852 1 6 . 1 1 137 137 GLY H H 137 7.930 7.930 7.704 0.226 18281 4853 1 6 . 1 1 138 138 LYS N N 138 124.210 124.210 122.640 1.570 18281 4854 1 6 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.182 0.048 18281 4855 1 6 . 1 1 138 138 LYS C C 138 178.860 178.860 178.439 0.421 18281 4856 1 6 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.834 -0.044 18281 4857 1 6 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.423 0.246 18281 4858 1 6 . 1 1 138 138 LYS H H 138 7.960 7.960 7.580 0.380 18281 4859 1 6 . 1 1 139 139 GLU N N 139 119.720 119.720 119.339 0.381 18281 4860 1 6 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.079 0.061 18281 4861 1 6 . 1 1 139 139 GLU C C 139 179.710 179.710 178.873 0.837 18281 4862 1 6 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.728 -0.548 18281 4863 1 6 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.533 -0.233 18281 4864 1 6 . 1 1 139 139 GLU H H 139 8.370 8.370 7.872 0.498 18281 4865 1 6 . 1 1 140 140 LYS N N 140 120.270 120.270 119.115 1.155 18281 4866 1 6 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.988 0.122 18281 4867 1 6 . 1 1 140 140 LYS C C 140 179.210 179.210 179.182 0.028 18281 4868 1 6 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.809 -0.199 18281 4869 1 6 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.310 0.070 18281 4870 1 6 . 1 1 140 140 LYS H H 140 8.140 8.140 7.936 0.204 18281 4871 1 6 . 1 1 141 141 ALA N N 141 121.910 121.910 121.227 0.683 18281 4872 1 6 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.199 -0.159 18281 4873 1 6 . 1 1 141 141 ALA C C 141 179.530 179.530 179.742 -0.212 18281 4874 1 6 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.991 0.029 18281 4875 1 6 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.359 0.021 18281 4876 1 6 . 1 1 141 141 ALA H H 141 7.730 7.730 7.797 -0.067 18281 4877 1 6 . 1 1 142 142 ALA N N 142 120.440 120.440 121.767 -1.327 18281 4878 1 6 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.153 -0.273 18281 4879 1 6 . 1 1 142 142 ALA C C 142 180.080 180.080 179.018 1.062 18281 4880 1 6 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.316 -0.416 18281 4881 1 6 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.139 0.091 18281 4882 1 6 . 1 1 142 142 ALA H H 142 8.280 8.280 8.041 0.239 18281 4883 1 6 . 1 1 143 143 HIS N N 143 118.280 118.280 118.877 -0.597 18281 4884 1 6 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.273 0.077 18281 4885 1 6 . 1 1 143 143 HIS C C 143 177.350 177.350 177.687 -0.337 18281 4886 1 6 . 1 1 143 143 HIS CA C 143 59.430 59.430 60.169 -0.739 18281 4887 1 6 . 1 1 143 143 HIS CB C 143 30.750 30.750 30.209 0.541 18281 4888 1 6 . 1 1 143 143 HIS H H 143 8.030 8.030 8.433 -0.403 18281 4889 1 6 . 1 1 144 144 LEU N N 144 118.820 118.820 119.146 -0.326 18281 4890 1 6 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.815 0.095 18281 4891 1 6 . 1 1 144 144 LEU C C 144 179.040 179.040 178.924 0.116 18281 4892 1 6 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.745 0.335 18281 4893 1 6 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.508 -0.548 18281 4894 1 6 . 1 1 144 144 LEU H H 144 7.700 7.700 7.745 -0.045 18281 4895 1 6 . 1 1 145 145 PHE N N 145 116.920 116.920 116.941 -0.021 18281 4896 1 6 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.004 -0.004 18281 4897 1 6 . 1 1 145 145 PHE C C 145 177.900 177.900 177.550 0.350 18281 4898 1 6 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.368 -0.218 18281 4899 1 6 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.894 -0.144 18281 4900 1 6 . 1 1 145 145 PHE H H 145 8.100 8.100 7.911 0.189 18281 4901 1 6 . 1 1 146 146 LYS N N 146 119.710 119.710 119.257 0.453 18281 4902 1 6 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.896 0.234 18281 4903 1 6 . 1 1 146 146 LYS C C 146 177.750 177.750 178.255 -0.505 18281 4904 1 6 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.467 -0.567 18281 4905 1 6 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.064 0.216 18281 4906 1 6 . 1 1 146 146 LYS H H 146 8.040 8.040 7.359 0.681 18281 4907 1 6 . 1 1 147 147 LEU N N 147 118.970 118.970 119.808 -0.838 18281 4908 1 6 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.108 -0.108 18281 4909 1 6 . 1 1 147 147 LEU C C 147 180.460 180.460 179.381 1.079 18281 4910 1 6 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.286 0.184 18281 4911 1 6 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.804 1.596 18281 4912 1 6 . 1 1 147 147 LEU H H 147 7.960 7.960 7.536 0.424 18281 4913 1 6 . 1 1 148 148 ILE N N 148 121.410 121.410 120.298 1.112 18281 4914 1 6 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.655 -0.115 18281 4915 1 6 . 1 1 148 148 ILE C C 148 177.030 177.030 178.551 -1.521 18281 4916 1 6 . 1 1 148 148 ILE CA C 148 65.400 65.400 64.411 0.989 18281 4917 1 6 . 1 1 148 148 ILE CB C 148 37.690 37.690 36.370 1.319 18281 4918 1 6 . 1 1 148 148 ILE H H 148 8.200 8.200 7.899 0.301 18281 4919 1 6 . 1 1 149 149 GLU N N 149 120.450 120.450 120.993 -0.543 18281 4920 1 6 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.083 -0.403 18281 4921 1 6 . 1 1 149 149 GLU C C 149 178.540 178.540 179.224 -0.684 18281 4922 1 6 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.735 0.585 18281 4923 1 6 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.681 -0.851 18281 4924 1 6 . 1 1 149 149 GLU H H 149 8.680 8.680 7.876 0.804 18281 4925 1 6 . 1 1 150 150 GLY N N 150 104.450 104.450 107.003 -2.553 18281 4926 1 6 . 1 1 150 150 GLY C C 150 175.670 175.670 175.847 -0.177 18281 4927 1 6 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.797 0.453 18281 4928 1 6 . 1 1 150 150 GLY H H 150 8.180 8.180 7.930 0.250 18281 4929 1 6 . 1 1 151 151 TYR N N 151 122.120 122.120 124.256 -2.136 18281 4930 1 6 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.188 0.192 18281 4931 1 6 . 1 1 151 151 TYR C C 151 179.360 179.360 177.423 1.937 18281 4932 1 6 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.772 0.548 18281 4933 1 6 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.720 -2.330 18281 4934 1 6 . 1 1 151 151 TYR H H 151 7.910 7.910 8.482 -0.572 18281 4935 1 6 . 1 1 152 152 LEU N N 152 120.020 120.020 117.639 2.381 18281 4936 1 6 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.081 -0.051 18281 4937 1 6 . 1 1 152 152 LEU C C 152 180.320 180.320 178.636 1.684 18281 4938 1 6 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.510 0.250 18281 4939 1 6 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.772 -0.772 18281 4940 1 6 . 1 1 152 152 LEU H H 152 8.630 8.630 7.944 0.686 18281 4941 1 6 . 1 1 153 153 LYS N N 153 119.730 119.730 117.299 2.431 18281 4942 1 6 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.090 -0.120 18281 4943 1 6 . 1 1 153 153 LYS C C 153 178.150 178.150 177.792 0.358 18281 4944 1 6 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.271 1.129 18281 4945 1 6 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.525 -0.175 18281 4946 1 6 . 1 1 153 153 LYS H H 153 8.260 8.260 7.713 0.547 18281 4947 1 6 . 1 1 154 154 ASP N N 154 117.020 117.020 118.163 -1.143 18281 4948 1 6 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.477 -0.477 18281 4949 1 6 . 1 1 154 154 ASP C C 154 175.660 175.660 177.389 -1.729 18281 4950 1 6 . 1 1 154 154 ASP CA C 154 55.030 55.030 56.271 -1.241 18281 4951 1 6 . 1 1 154 154 ASP H H 154 7.560 7.560 8.121 -0.561 18281 4952 1 6 . 1 1 155 155 HIS N N 155 117.160 117.160 118.922 -1.762 18281 4953 1 6 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.732 0.168 18281 4954 1 6 . 1 1 155 155 HIS CA C 155 54.150 54.150 53.934 0.216 18281 4955 1 6 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.280 -2.290 18281 4956 1 6 . 1 1 155 155 HIS H H 155 7.430 7.430 7.816 -0.386 18281 4957 1 7 . 1 1 3 3 VAL N N 3 119.910 119.910 120.319 -0.409 18281 4958 1 7 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.099 0.821 18281 4959 1 7 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.016 0.004 18281 4960 1 7 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.232 0.898 18281 4961 1 7 . 1 1 3 3 VAL H H 3 7.630 7.630 7.804 -0.174 18281 4962 1 7 . 1 1 4 4 TYR N N 4 119.930 119.930 124.532 -4.602 18281 4963 1 7 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.736 -0.066 18281 4964 1 7 . 1 1 4 4 TYR C C 4 174.670 174.670 175.649 -0.979 18281 4965 1 7 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.798 0.672 18281 4966 1 7 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.721 0.549 18281 4967 1 7 . 1 1 4 4 TYR H H 4 8.660 8.660 8.188 0.472 18281 4968 1 7 . 1 1 5 5 THR N N 5 119.930 119.930 118.425 1.505 18281 4969 1 7 . 1 1 5 5 THR HA H 5 5.290 5.290 4.715 0.575 18281 4970 1 7 . 1 1 5 5 THR C C 5 173.180 173.180 173.421 -0.241 18281 4971 1 7 . 1 1 5 5 THR CA C 5 61.780 61.780 61.798 -0.018 18281 4972 1 7 . 1 1 5 5 THR CB C 5 70.360 70.360 69.902 0.458 18281 4973 1 7 . 1 1 5 5 THR H H 5 8.230 8.230 8.412 -0.182 18281 4974 1 7 . 1 1 6 6 TYR N N 6 125.060 125.060 126.954 -1.894 18281 4975 1 7 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.768 0.522 18281 4976 1 7 . 1 1 6 6 TYR C C 6 174.380 174.380 173.322 1.058 18281 4977 1 7 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.910 0.200 18281 4978 1 7 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.778 0.072 18281 4979 1 7 . 1 1 6 6 TYR H H 6 9.210 9.210 8.578 0.632 18281 4980 1 7 . 1 1 7 7 GLU N N 7 122.360 122.360 127.697 -5.337 18281 4981 1 7 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.819 0.541 18281 4982 1 7 . 1 1 7 7 GLU C C 7 175.390 175.390 174.501 0.889 18281 4983 1 7 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.625 0.355 18281 4984 1 7 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.267 0.783 18281 4985 1 7 . 1 1 7 7 GLU H H 7 8.830 8.830 8.051 0.779 18281 4986 1 7 . 1 1 8 8 ASN N N 8 119.960 119.960 123.035 -3.075 18281 4987 1 7 . 1 1 8 8 ASN HA H 8 5.100 5.100 4.985 0.115 18281 4988 1 7 . 1 1 8 8 ASN CA C 8 52.620 52.620 51.956 0.664 18281 4989 1 7 . 1 1 8 8 ASN CB C 8 43.210 43.210 42.642 0.568 18281 4990 1 7 . 1 1 8 8 ASN H H 8 8.800 8.800 9.172 -0.372 18281 4991 1 7 . 1 1 9 9 GLU N N 9 121.420 121.420 123.457 -2.037 18281 4992 1 7 . 1 1 9 9 GLU HA H 9 5.600 5.600 5.032 0.568 18281 4993 1 7 . 1 1 9 9 GLU C C 9 174.590 174.590 174.699 -0.109 18281 4994 1 7 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.303 -0.533 18281 4995 1 7 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.794 1.956 18281 4996 1 7 . 1 1 9 9 GLU H H 9 8.330 8.330 8.615 -0.285 18281 4997 1 7 . 1 1 10 10 PHE N N 10 121.240 121.240 128.255 -7.015 18281 4998 1 7 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.861 0.159 18281 4999 1 7 . 1 1 10 10 PHE C C 10 173.880 173.880 173.878 0.002 18281 5000 1 7 . 1 1 10 10 PHE CA C 10 55.550 55.550 56.516 -0.966 18281 5001 1 7 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.218 -0.748 18281 5002 1 7 . 1 1 10 10 PHE H H 10 8.760 8.760 9.218 -0.458 18281 5003 1 7 . 1 1 11 11 THR N N 11 113.110 113.110 118.738 -5.628 18281 5004 1 7 . 1 1 11 11 THR HA H 11 5.170 5.170 4.882 0.288 18281 5005 1 7 . 1 1 11 11 THR C C 11 173.530 173.530 173.417 0.113 18281 5006 1 7 . 1 1 11 11 THR CA C 11 60.940 60.940 59.752 1.188 18281 5007 1 7 . 1 1 11 11 THR CB C 11 71.260 71.260 69.706 1.554 18281 5008 1 7 . 1 1 11 11 THR H H 11 8.470 8.470 7.751 0.719 18281 5009 1 7 . 1 1 12 12 SER N N 12 115.490 115.490 117.491 -2.001 18281 5010 1 7 . 1 1 12 12 SER C C 12 173.530 173.530 172.653 0.877 18281 5011 1 7 . 1 1 12 12 SER CA C 12 56.460 56.460 56.751 -0.291 18281 5012 1 7 . 1 1 12 12 SER CB C 12 66.320 66.320 66.320 -0.000 18281 5013 1 7 . 1 1 12 12 SER H H 12 8.870 8.870 8.887 -0.017 18281 5014 1 7 . 1 1 13 13 ASP N N 13 126.650 126.650 122.293 4.357 18281 5015 1 7 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.706 0.034 18281 5016 1 7 . 1 1 13 13 ASP C C 13 174.520 174.520 176.699 -2.179 18281 5017 1 7 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.752 0.278 18281 5018 1 7 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.264 -0.264 18281 5019 1 7 . 1 1 13 13 ASP H H 13 9.060 9.060 8.880 0.180 18281 5020 1 7 . 1 1 14 14 ILE N N 14 123.580 123.580 115.461 8.119 18281 5021 1 7 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.951 0.399 18281 5022 1 7 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.396 -4.006 18281 5023 1 7 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.479 -0.139 18281 5024 1 7 . 1 1 14 14 ILE H H 14 8.470 8.470 8.202 0.268 18281 5025 1 7 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.584 -0.144 18281 5026 1 7 . 1 1 15 15 PRO C C 15 177.130 177.130 177.725 -0.595 18281 5027 1 7 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.698 0.372 18281 5028 1 7 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.501 0.949 18281 5029 1 7 . 1 1 16 16 ALA N N 16 126.780 126.780 126.202 0.578 18281 5030 1 7 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.016 -0.016 18281 5031 1 7 . 1 1 16 16 ALA CA C 16 57.100 57.100 56.984 0.116 18281 5032 1 7 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.187 0.113 18281 5033 1 7 . 1 1 16 16 ALA H H 16 8.570 8.570 8.518 0.052 18281 5034 1 7 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.201 -0.301 18281 5035 1 7 . 1 1 17 17 PRO C C 17 179.610 179.610 178.925 0.685 18281 5036 1 7 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.380 0.630 18281 5037 1 7 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.297 -0.397 18281 5038 1 7 . 1 1 18 18 LYS N N 18 116.630 116.630 118.592 -1.962 18281 5039 1 7 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.197 -0.057 18281 5040 1 7 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.492 -0.222 18281 5041 1 7 . 1 1 18 18 LYS CB C 18 32.320 32.320 32.132 0.188 18281 5042 1 7 . 1 1 18 18 LYS H H 18 6.710 6.710 7.501 -0.791 18281 5043 1 7 . 1 1 19 19 LEU N N 19 118.930 118.930 120.541 -1.611 18281 5044 1 7 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.237 -0.397 18281 5045 1 7 . 1 1 19 19 LEU C C 19 178.380 178.380 177.891 0.489 18281 5046 1 7 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.300 0.130 18281 5047 1 7 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.367 -0.277 18281 5048 1 7 . 1 1 19 19 LEU H H 19 7.950 7.950 8.095 -0.145 18281 5049 1 7 . 1 1 20 20 PHE N N 20 118.660 118.660 120.233 -1.573 18281 5050 1 7 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.189 -0.339 18281 5051 1 7 . 1 1 20 20 PHE C C 20 177.680 177.680 177.082 0.598 18281 5052 1 7 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.937 0.943 18281 5053 1 7 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.223 0.197 18281 5054 1 7 . 1 1 20 20 PHE H H 20 9.040 9.040 8.554 0.486 18281 5055 1 7 . 1 1 21 21 LYS N N 21 118.430 118.430 119.947 -1.517 18281 5056 1 7 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.001 -0.231 18281 5057 1 7 . 1 1 21 21 LYS C C 21 176.400 176.400 178.405 -2.005 18281 5058 1 7 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.810 0.350 18281 5059 1 7 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.506 0.494 18281 5060 1 7 . 1 1 21 21 LYS H H 21 7.630 7.630 7.946 -0.316 18281 5061 1 7 . 1 1 22 22 ALA N N 22 118.710 118.710 120.317 -1.607 18281 5062 1 7 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.337 0.433 18281 5063 1 7 . 1 1 22 22 ALA C C 22 175.450 175.450 178.838 -3.388 18281 5064 1 7 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.255 1.285 18281 5065 1 7 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.598 1.602 18281 5066 1 7 . 1 1 22 22 ALA H H 22 7.390 7.390 7.448 -0.058 18281 5067 1 7 . 1 1 23 23 PHE N N 23 109.720 109.720 116.933 -7.213 18281 5068 1 7 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.152 0.088 18281 5069 1 7 . 1 1 23 23 PHE C C 23 174.130 174.130 174.871 -0.741 18281 5070 1 7 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.249 -1.929 18281 5071 1 7 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.105 0.335 18281 5072 1 7 . 1 1 23 23 PHE H H 23 8.400 8.400 7.881 0.519 18281 5073 1 7 . 1 1 24 24 VAL N N 24 113.250 113.250 115.697 -2.447 18281 5074 1 7 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.453 -0.133 18281 5075 1 7 . 1 1 24 24 VAL C C 24 177.660 177.660 177.524 0.136 18281 5076 1 7 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.979 0.521 18281 5077 1 7 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.393 -1.513 18281 5078 1 7 . 1 1 24 24 VAL H H 24 7.220 7.220 7.294 -0.074 18281 5079 1 7 . 1 1 25 25 LEU N N 25 116.250 116.250 120.877 -4.627 18281 5080 1 7 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.968 -0.078 18281 5081 1 7 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.724 0.187 18281 5082 1 7 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.542 -0.542 18281 5083 1 7 . 1 1 25 25 LEU H H 25 7.180 7.180 7.740 -0.560 18281 5084 1 7 . 1 1 26 26 ASP N N 26 117.160 117.160 116.040 1.120 18281 5085 1 7 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.694 0.606 18281 5086 1 7 . 1 1 26 26 ASP C C 26 177.300 177.300 176.163 1.137 18281 5087 1 7 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.325 -1.155 18281 5088 1 7 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.163 2.757 18281 5089 1 7 . 1 1 26 26 ASP H H 26 8.070 8.070 7.656 0.414 18281 5090 1 7 . 1 1 27 27 ALA N N 27 123.040 123.040 123.452 -0.412 18281 5091 1 7 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.648 0.112 18281 5092 1 7 . 1 1 27 27 ALA C C 27 178.900 178.900 178.696 0.204 18281 5093 1 7 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.922 1.118 18281 5094 1 7 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.426 1.004 18281 5095 1 7 . 1 1 27 27 ALA H H 27 6.360 6.360 7.574 -1.214 18281 5096 1 7 . 1 1 28 28 ASP N N 28 115.060 115.060 117.699 -2.639 18281 5097 1 7 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.181 -0.201 18281 5098 1 7 . 1 1 28 28 ASP C C 28 175.850 175.850 176.716 -0.866 18281 5099 1 7 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.851 -1.311 18281 5100 1 7 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.260 -0.620 18281 5101 1 7 . 1 1 28 28 ASP H H 28 8.290 8.290 8.173 0.117 18281 5102 1 7 . 1 1 29 29 ASN N N 29 113.110 113.110 115.312 -2.202 18281 5103 1 7 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.612 0.118 18281 5104 1 7 . 1 1 29 29 ASN C C 29 176.430 176.430 176.854 -0.424 18281 5105 1 7 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.260 -0.650 18281 5106 1 7 . 1 1 29 29 ASN CB C 29 40.260 40.260 38.875 1.385 18281 5107 1 7 . 1 1 29 29 ASN H H 29 7.360 7.360 7.839 -0.479 18281 5108 1 7 . 1 1 30 30 LEU N N 30 120.630 120.630 122.694 -2.064 18281 5109 1 7 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.807 0.213 18281 5110 1 7 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.753 0.047 18281 5111 1 7 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.593 1.188 18281 5112 1 7 . 1 1 30 30 LEU H H 30 8.320 8.320 8.395 -0.075 18281 5113 1 7 . 1 1 31 31 ILE N N 31 116.170 116.170 119.806 -3.636 18281 5114 1 7 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.492 0.158 18281 5115 1 7 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.689 -0.889 18281 5116 1 7 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.036 -1.126 18281 5117 1 7 . 1 1 31 31 ILE H H 31 8.140 8.140 7.800 0.340 18281 5118 1 7 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.124 0.396 18281 5119 1 7 . 1 1 32 32 PRO C C 32 177.680 177.680 178.270 -0.590 18281 5120 1 7 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.945 0.575 18281 5121 1 7 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.207 0.313 18281 5122 1 7 . 1 1 33 33 LYS N N 33 112.410 112.410 118.560 -6.150 18281 5123 1 7 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.081 0.069 18281 5124 1 7 . 1 1 33 33 LYS C C 33 178.220 178.220 178.966 -0.746 18281 5125 1 7 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.709 -0.419 18281 5126 1 7 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.453 0.457 18281 5127 1 7 . 1 1 33 33 LYS H H 33 6.880 6.880 7.454 -0.574 18281 5128 1 7 . 1 1 34 34 ILE N N 34 112.260 112.260 117.607 -5.347 18281 5129 1 7 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.878 0.442 18281 5130 1 7 . 1 1 34 34 ILE C C 34 175.920 175.920 176.321 -0.401 18281 5131 1 7 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.776 -1.956 18281 5132 1 7 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.479 0.871 18281 5133 1 7 . 1 1 34 34 ILE H H 34 7.560 7.560 7.999 -0.439 18281 5134 1 7 . 1 1 35 35 ALA N N 35 124.420 124.420 121.548 2.872 18281 5135 1 7 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.786 0.184 18281 5136 1 7 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.004 0.356 18281 5137 1 7 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.284 -0.024 18281 5138 1 7 . 1 1 35 35 ALA H H 35 8.820 8.820 7.484 1.336 18281 5139 1 7 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.345 0.385 18281 5140 1 7 . 1 1 36 36 PRO C C 36 177.890 177.890 177.660 0.230 18281 5141 1 7 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.541 -0.301 18281 5142 1 7 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.356 -0.676 18281 5143 1 7 . 1 1 37 37 GLN N N 37 115.580 115.580 117.909 -2.329 18281 5144 1 7 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.090 0.160 18281 5145 1 7 . 1 1 37 37 GLN C C 37 177.740 177.740 177.415 0.325 18281 5146 1 7 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.238 -0.928 18281 5147 1 7 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.014 -0.494 18281 5148 1 7 . 1 1 37 37 GLN H H 37 8.660 8.660 8.485 0.175 18281 5149 1 7 . 1 1 38 38 ALA N N 38 123.250 123.250 119.407 3.843 18281 5150 1 7 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.249 0.141 18281 5151 1 7 . 1 1 38 38 ALA C C 38 177.850 177.850 177.245 0.605 18281 5152 1 7 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.782 -0.282 18281 5153 1 7 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.188 0.642 18281 5154 1 7 . 1 1 38 38 ALA H H 38 8.030 8.030 8.109 -0.079 18281 5155 1 7 . 1 1 39 39 VAL N N 39 117.330 117.330 110.148 7.182 18281 5156 1 7 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.400 -0.270 18281 5157 1 7 . 1 1 39 39 VAL C C 39 172.750 172.750 174.572 -1.822 18281 5158 1 7 . 1 1 39 39 VAL CA C 39 62.450 62.450 59.885 2.565 18281 5159 1 7 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.127 -1.497 18281 5160 1 7 . 1 1 39 39 VAL H H 39 7.660 7.660 7.121 0.539 18281 5161 1 7 . 1 1 40 40 LYS N N 40 125.270 125.270 121.252 4.018 18281 5162 1 7 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.146 0.314 18281 5163 1 7 . 1 1 40 40 LYS C C 40 177.240 177.240 176.497 0.743 18281 5164 1 7 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.842 -1.392 18281 5165 1 7 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.208 0.792 18281 5166 1 7 . 1 1 40 40 LYS H H 40 8.910 8.910 8.852 0.058 18281 5167 1 7 . 1 1 41 41 CYS N N 41 112.210 112.210 116.079 -3.869 18281 5168 1 7 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.366 0.194 18281 5169 1 7 . 1 1 41 41 CYS C C 41 170.900 170.900 172.576 -1.676 18281 5170 1 7 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.804 -1.784 18281 5171 1 7 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.554 0.246 18281 5172 1 7 . 1 1 41 41 CYS H H 41 7.680 7.680 7.688 -0.008 18281 5173 1 7 . 1 1 42 42 ALA N N 42 125.620 125.620 129.266 -3.646 18281 5174 1 7 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.806 0.414 18281 5175 1 7 . 1 1 42 42 ALA C C 42 175.690 175.690 176.281 -0.591 18281 5176 1 7 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.199 -0.219 18281 5177 1 7 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.603 2.397 18281 5178 1 7 . 1 1 42 42 ALA H H 42 8.700 8.700 8.528 0.172 18281 5179 1 7 . 1 1 43 43 GLU N N 43 120.730 120.730 123.715 -2.985 18281 5180 1 7 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.699 -0.039 18281 5181 1 7 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.980 -0.610 18281 5182 1 7 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.934 0.186 18281 5183 1 7 . 1 1 43 43 GLU H H 43 8.810 8.810 8.819 -0.009 18281 5184 1 7 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.530 -0.490 18281 5185 1 7 . 1 1 44 44 ILE C C 44 176.190 176.190 176.193 -0.003 18281 5186 1 7 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.750 1.240 18281 5187 1 7 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.522 -0.742 18281 5188 1 7 . 1 1 45 45 LEU N N 45 129.030 129.030 128.400 0.630 18281 5189 1 7 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.201 0.249 18281 5190 1 7 . 1 1 45 45 LEU C C 45 177.270 177.270 177.348 -0.078 18281 5191 1 7 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.325 -1.315 18281 5192 1 7 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.571 -0.091 18281 5193 1 7 . 1 1 45 45 LEU H H 45 9.090 9.090 8.862 0.228 18281 5194 1 7 . 1 1 46 46 GLU N N 46 116.640 116.640 113.835 2.805 18281 5195 1 7 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.476 0.134 18281 5196 1 7 . 1 1 46 46 GLU C C 46 174.840 174.840 175.936 -1.096 18281 5197 1 7 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.626 -0.016 18281 5198 1 7 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.164 0.406 18281 5199 1 7 . 1 1 46 46 GLU H H 46 7.700 7.700 7.499 0.201 18281 5200 1 7 . 1 1 47 47 GLY N N 47 110.230 110.230 110.241 -0.011 18281 5201 1 7 . 1 1 47 47 GLY C C 47 173.630 173.630 173.864 -0.234 18281 5202 1 7 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.746 -1.066 18281 5203 1 7 . 1 1 47 47 GLY H H 47 8.620 8.620 8.786 -0.166 18281 5204 1 7 . 1 1 48 48 ASP N N 48 115.220 115.220 120.822 -5.602 18281 5205 1 7 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.353 0.417 18281 5206 1 7 . 1 1 48 48 ASP C C 48 177.340 177.340 175.934 1.406 18281 5207 1 7 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.798 -1.878 18281 5208 1 7 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.240 2.440 18281 5209 1 7 . 1 1 48 48 ASP H H 48 7.960 7.960 8.434 -0.473 18281 5210 1 7 . 1 1 49 49 GLY N N 49 110.900 110.900 102.078 8.822 18281 5211 1 7 . 1 1 49 49 GLY C C 49 174.750 174.750 174.203 0.547 18281 5212 1 7 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.201 0.109 18281 5213 1 7 . 1 1 49 49 GLY H H 49 8.750 8.750 8.455 0.295 18281 5214 1 7 . 1 1 50 50 GLY N N 50 107.020 107.020 108.116 -1.096 18281 5215 1 7 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.785 0.815 18281 5216 1 7 . 1 1 50 50 GLY H H 50 8.300 8.300 8.384 -0.084 18281 5217 1 7 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.167 -0.207 18281 5218 1 7 . 1 1 51 51 PRO C C 51 176.780 176.780 177.635 -0.855 18281 5219 1 7 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.133 1.867 18281 5220 1 7 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.512 0.358 18281 5221 1 7 . 1 1 52 52 GLY N N 52 114.320 114.320 115.082 -0.762 18281 5222 1 7 . 1 1 52 52 GLY C C 52 174.170 174.170 174.335 -0.165 18281 5223 1 7 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.530 -0.850 18281 5224 1 7 . 1 1 52 52 GLY H H 52 9.240 9.240 9.001 0.239 18281 5225 1 7 . 1 1 53 53 THR N N 53 118.900 118.900 116.280 2.620 18281 5226 1 7 . 1 1 53 53 THR HA H 53 4.660 4.660 4.655 0.005 18281 5227 1 7 . 1 1 53 53 THR C C 53 173.510 173.510 174.226 -0.716 18281 5228 1 7 . 1 1 53 53 THR CA C 53 64.580 64.580 63.130 1.450 18281 5229 1 7 . 1 1 53 53 THR CB C 53 70.070 70.070 69.906 0.164 18281 5230 1 7 . 1 1 53 53 THR H H 53 7.910 7.910 7.429 0.481 18281 5231 1 7 . 1 1 54 54 ILE N N 54 124.830 124.830 126.011 -1.181 18281 5232 1 7 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.722 0.588 18281 5233 1 7 . 1 1 54 54 ILE C C 54 175.260 175.260 174.980 0.280 18281 5234 1 7 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.447 -0.577 18281 5235 1 7 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.848 -0.398 18281 5236 1 7 . 1 1 54 54 ILE H H 54 8.550 8.550 8.369 0.181 18281 5237 1 7 . 1 1 55 55 LYS N N 55 126.970 126.970 126.340 0.630 18281 5238 1 7 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.257 0.043 18281 5239 1 7 . 1 1 55 55 LYS C C 55 173.950 173.950 175.417 -1.467 18281 5240 1 7 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.461 -0.631 18281 5241 1 7 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.029 0.701 18281 5242 1 7 . 1 1 55 55 LYS H H 55 9.400 9.400 9.118 0.282 18281 5243 1 7 . 1 1 56 56 LYS N N 56 124.220 124.220 124.133 0.087 18281 5244 1 7 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.758 0.522 18281 5245 1 7 . 1 1 56 56 LYS C C 56 175.230 175.230 174.422 0.808 18281 5246 1 7 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.608 -0.818 18281 5247 1 7 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.090 -0.030 18281 5248 1 7 . 1 1 56 56 LYS H H 56 9.360 9.360 9.162 0.198 18281 5249 1 7 . 1 1 57 57 ILE N N 57 132.380 132.380 127.495 4.885 18281 5250 1 7 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.420 0.220 18281 5251 1 7 . 1 1 57 57 ILE C C 57 174.840 174.840 174.917 -0.077 18281 5252 1 7 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.024 0.456 18281 5253 1 7 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.435 -2.165 18281 5254 1 7 . 1 1 57 57 ILE H H 57 9.240 9.240 9.237 0.003 18281 5255 1 7 . 1 1 58 58 THR N N 58 122.310 122.310 121.632 0.678 18281 5256 1 7 . 1 1 58 58 THR HA H 58 5.180 5.180 4.735 0.445 18281 5257 1 7 . 1 1 58 58 THR C C 58 174.260 174.260 173.242 1.018 18281 5258 1 7 . 1 1 58 58 THR CA C 58 61.720 61.720 61.995 -0.275 18281 5259 1 7 . 1 1 58 58 THR CB C 58 70.640 70.640 70.556 0.084 18281 5260 1 7 . 1 1 58 58 THR H H 58 8.720 8.720 8.255 0.465 18281 5261 1 7 . 1 1 59 59 PHE N N 59 124.570 124.570 124.977 -0.407 18281 5262 1 7 . 1 1 59 59 PHE HA H 59 5.020 5.020 5.039 -0.019 18281 5263 1 7 . 1 1 59 59 PHE C C 59 174.510 174.510 176.341 -1.831 18281 5264 1 7 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.398 -0.948 18281 5265 1 7 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.021 -0.011 18281 5266 1 7 . 1 1 59 59 PHE H H 59 8.570 8.570 8.876 -0.306 18281 5267 1 7 . 1 1 60 60 GLY N N 60 104.600 104.600 111.851 -7.251 18281 5268 1 7 . 1 1 60 60 GLY C C 60 173.500 173.500 173.803 -0.303 18281 5269 1 7 . 1 1 60 60 GLY CA C 60 44.830 44.830 45.545 -0.715 18281 5270 1 7 . 1 1 60 60 GLY H H 60 7.800 7.800 8.814 -1.014 18281 5271 1 7 . 1 1 61 61 GLU N N 61 119.400 119.400 122.004 -2.604 18281 5272 1 7 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.343 -0.233 18281 5273 1 7 . 1 1 61 61 GLU CA C 61 56.800 56.800 55.938 0.862 18281 5274 1 7 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.584 0.356 18281 5275 1 7 . 1 1 61 61 GLU H H 61 8.290 8.290 8.191 0.099 18281 5276 1 7 . 1 1 62 62 GLY N N 62 110.940 110.940 113.063 -2.123 18281 5277 1 7 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.218 1.982 18281 5278 1 7 . 1 1 62 62 GLY H H 62 8.870 8.870 8.026 0.844 18281 5279 1 7 . 1 1 66 66 GLY C C 66 176.930 176.930 172.034 4.896 18281 5280 1 7 . 1 1 66 66 GLY CA C 66 45.080 45.080 44.154 0.927 18281 5281 1 7 . 1 1 67 67 TYR N N 67 115.490 115.490 114.800 0.690 18281 5282 1 7 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.497 0.083 18281 5283 1 7 . 1 1 67 67 TYR C C 67 175.470 175.470 174.325 1.145 18281 5284 1 7 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.149 -0.229 18281 5285 1 7 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.972 -0.252 18281 5286 1 7 . 1 1 67 67 TYR H H 67 8.110 8.110 7.440 0.670 18281 5287 1 7 . 1 1 68 68 VAL N N 68 111.980 111.980 116.262 -4.282 18281 5288 1 7 . 1 1 68 68 VAL HA H 68 5.020 5.020 5.010 0.010 18281 5289 1 7 . 1 1 68 68 VAL C C 68 175.480 175.480 174.615 0.865 18281 5290 1 7 . 1 1 68 68 VAL CA C 68 59.500 59.500 59.347 0.153 18281 5291 1 7 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.747 0.713 18281 5292 1 7 . 1 1 68 68 VAL H H 68 8.840 8.840 8.703 0.137 18281 5293 1 7 . 1 1 69 69 LYS N N 69 118.430 118.430 121.878 -3.448 18281 5294 1 7 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.130 0.570 18281 5295 1 7 . 1 1 69 69 LYS C C 69 175.740 175.740 175.656 0.084 18281 5296 1 7 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.617 0.753 18281 5297 1 7 . 1 1 69 69 LYS CB C 69 36.580 36.580 36.316 0.264 18281 5298 1 7 . 1 1 69 69 LYS H H 69 8.590 8.590 9.086 -0.496 18281 5299 1 7 . 1 1 70 70 HIS N N 70 122.590 122.590 119.894 2.696 18281 5300 1 7 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.436 0.754 18281 5301 1 7 . 1 1 70 70 HIS C C 70 174.590 174.590 174.116 0.474 18281 5302 1 7 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.537 -3.697 18281 5303 1 7 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.966 2.044 18281 5304 1 7 . 1 1 70 70 HIS H H 70 9.160 9.160 8.643 0.517 18281 5305 1 7 . 1 1 71 71 LYS N N 71 122.760 122.760 120.469 2.291 18281 5306 1 7 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.500 -0.010 18281 5307 1 7 . 1 1 71 71 LYS C C 71 175.500 175.500 174.636 0.864 18281 5308 1 7 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.872 -0.832 18281 5309 1 7 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.799 -0.929 18281 5310 1 7 . 1 1 71 71 LYS H H 71 9.460 9.460 9.356 0.104 18281 5311 1 7 . 1 1 72 72 ILE N N 72 127.870 127.870 126.343 1.527 18281 5312 1 7 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.524 -0.644 18281 5313 1 7 . 1 1 72 72 ILE C C 72 175.430 175.430 175.683 -0.253 18281 5314 1 7 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.341 2.059 18281 5315 1 7 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.618 -1.578 18281 5316 1 7 . 1 1 72 72 ILE H H 72 9.320 9.320 8.624 0.696 18281 5317 1 7 . 1 1 73 73 HIS N N 73 127.690 127.690 126.105 1.585 18281 5318 1 7 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.663 0.457 18281 5319 1 7 . 1 1 73 73 HIS C C 73 176.240 176.240 175.099 1.141 18281 5320 1 7 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.515 -0.545 18281 5321 1 7 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.413 0.527 18281 5322 1 7 . 1 1 73 73 HIS H H 73 9.080 9.080 8.513 0.567 18281 5323 1 7 . 1 1 74 74 SER N N 74 110.900 110.900 112.178 -1.278 18281 5324 1 7 . 1 1 74 74 SER HA H 74 4.760 4.760 4.636 0.124 18281 5325 1 7 . 1 1 74 74 SER C C 74 172.620 172.620 172.313 0.307 18281 5326 1 7 . 1 1 74 74 SER CA C 74 57.880 57.880 57.986 -0.106 18281 5327 1 7 . 1 1 74 74 SER CB C 74 66.790 66.790 64.591 2.199 18281 5328 1 7 . 1 1 74 74 SER H H 74 8.180 8.180 7.696 0.484 18281 5329 1 7 . 1 1 75 75 ILE N N 75 123.780 123.780 116.257 7.523 18281 5330 1 7 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.051 -0.371 18281 5331 1 7 . 1 1 75 75 ILE C C 75 174.010 174.010 174.307 -0.297 18281 5332 1 7 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.867 2.273 18281 5333 1 7 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.139 -0.829 18281 5334 1 7 . 1 1 75 75 ILE H H 75 8.730 8.730 8.297 0.433 18281 5335 1 7 . 1 1 76 76 ASP N N 76 127.280 127.280 126.899 0.381 18281 5336 1 7 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.066 0.014 18281 5337 1 7 . 1 1 76 76 ASP C C 76 176.680 176.680 176.158 0.522 18281 5338 1 7 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.127 -0.997 18281 5339 1 7 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.265 0.285 18281 5340 1 7 . 1 1 76 76 ASP H H 76 9.110 9.110 9.089 0.021 18281 5341 1 7 . 1 1 77 77 LYS N N 77 122.400 122.400 123.714 -1.314 18281 5342 1 7 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.950 0.030 18281 5343 1 7 . 1 1 77 77 LYS C C 77 175.980 175.980 177.665 -1.685 18281 5344 1 7 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.658 -2.238 18281 5345 1 7 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.386 0.394 18281 5346 1 7 . 1 1 77 77 LYS H H 77 8.890 8.890 8.714 0.176 18281 5347 1 7 . 1 1 78 78 VAL N N 78 119.300 119.300 117.446 1.854 18281 5348 1 7 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.576 0.084 18281 5349 1 7 . 1 1 78 78 VAL C C 78 176.290 176.290 176.316 -0.026 18281 5350 1 7 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.895 -0.476 18281 5351 1 7 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.324 0.776 18281 5352 1 7 . 1 1 78 78 VAL H H 78 8.110 8.110 8.050 0.060 18281 5353 1 7 . 1 1 79 79 ASN N N 79 114.400 114.400 115.840 -1.440 18281 5354 1 7 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.578 -0.098 18281 5355 1 7 . 1 1 79 79 ASN C C 79 173.670 173.670 174.186 -0.516 18281 5356 1 7 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.923 -0.383 18281 5357 1 7 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.977 1.113 18281 5358 1 7 . 1 1 79 79 ASN H H 79 7.700 7.700 7.822 -0.122 18281 5359 1 7 . 1 1 80 80 HIS N N 80 115.530 115.530 114.644 0.886 18281 5360 1 7 . 1 1 80 80 HIS C C 80 173.450 173.450 173.193 0.257 18281 5361 1 7 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.629 -0.099 18281 5362 1 7 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.506 0.694 18281 5363 1 7 . 1 1 80 80 HIS H H 80 6.980 6.980 7.079 -0.099 18281 5364 1 7 . 1 1 81 81 THR N N 81 109.600 109.600 113.630 -4.030 18281 5365 1 7 . 1 1 81 81 THR HA H 81 5.730 5.730 5.167 0.563 18281 5366 1 7 . 1 1 81 81 THR C C 81 172.980 172.980 172.789 0.191 18281 5367 1 7 . 1 1 81 81 THR CA C 81 60.190 60.190 62.251 -2.061 18281 5368 1 7 . 1 1 81 81 THR CB C 81 71.740 71.740 71.887 -0.147 18281 5369 1 7 . 1 1 81 81 THR H H 81 7.990 7.990 7.946 0.044 18281 5370 1 7 . 1 1 82 82 TYR N N 82 125.000 125.000 128.855 -3.855 18281 5371 1 7 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.938 0.762 18281 5372 1 7 . 1 1 82 82 TYR C C 82 173.600 173.600 173.132 0.468 18281 5373 1 7 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.910 -1.580 18281 5374 1 7 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.001 0.810 18281 5375 1 7 . 1 1 82 82 TYR H H 82 9.300 9.300 9.502 -0.202 18281 5376 1 7 . 1 1 83 83 SER N N 83 121.820 121.820 122.873 -1.053 18281 5377 1 7 . 1 1 83 83 SER HA H 83 5.670 5.670 5.324 0.346 18281 5378 1 7 . 1 1 83 83 SER C C 83 173.490 173.490 172.786 0.704 18281 5379 1 7 . 1 1 83 83 SER CA C 83 56.420 56.420 57.343 -0.923 18281 5380 1 7 . 1 1 83 83 SER CB C 83 65.520 65.520 66.042 -0.522 18281 5381 1 7 . 1 1 83 83 SER H H 83 9.090 9.090 8.041 1.049 18281 5382 1 7 . 1 1 84 84 TYR N N 84 122.970 122.970 121.434 1.536 18281 5383 1 7 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.388 -0.158 18281 5384 1 7 . 1 1 84 84 TYR C C 84 172.530 172.530 173.060 -0.530 18281 5385 1 7 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.556 -0.136 18281 5386 1 7 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.214 -0.264 18281 5387 1 7 . 1 1 84 84 TYR H H 84 8.790 8.790 9.331 -0.541 18281 5388 1 7 . 1 1 85 85 SER N N 85 114.200 114.200 112.885 1.315 18281 5389 1 7 . 1 1 85 85 SER HA H 85 5.700 5.700 5.322 0.378 18281 5390 1 7 . 1 1 85 85 SER C C 85 173.180 173.180 172.700 0.480 18281 5391 1 7 . 1 1 85 85 SER CA C 85 57.510 57.510 57.495 0.015 18281 5392 1 7 . 1 1 85 85 SER CB C 85 65.940 65.940 67.098 -1.158 18281 5393 1 7 . 1 1 85 85 SER H H 85 9.350 9.350 9.544 -0.194 18281 5394 1 7 . 1 1 86 86 LEU N N 86 128.880 128.880 123.783 5.097 18281 5395 1 7 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.659 0.571 18281 5396 1 7 . 1 1 86 86 LEU C C 86 176.230 176.230 176.764 -0.534 18281 5397 1 7 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.396 1.194 18281 5398 1 7 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.099 1.050 18281 5399 1 7 . 1 1 86 86 LEU H H 86 9.900 9.900 8.852 1.048 18281 5400 1 7 . 1 1 87 87 ILE N N 87 115.900 115.900 127.458 -11.558 18281 5401 1 7 . 1 1 87 87 ILE HA H 87 4.930 4.930 3.986 0.944 18281 5402 1 7 . 1 1 87 87 ILE C C 87 176.080 176.080 176.133 -0.053 18281 5403 1 7 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.433 -3.163 18281 5404 1 7 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.663 1.167 18281 5405 1 7 . 1 1 87 87 ILE H H 87 8.180 8.180 8.743 -0.563 18281 5406 1 7 . 1 1 88 88 GLU N N 88 121.920 121.920 117.951 3.969 18281 5407 1 7 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.474 0.036 18281 5408 1 7 . 1 1 88 88 GLU C C 88 174.020 174.020 174.927 -0.907 18281 5409 1 7 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.347 1.693 18281 5410 1 7 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.005 1.965 18281 5411 1 7 . 1 1 88 88 GLU H H 88 7.650 7.650 7.757 -0.107 18281 5412 1 7 . 1 1 89 89 GLY N N 89 111.650 111.650 107.678 3.972 18281 5413 1 7 . 1 1 89 89 GLY C C 89 173.800 173.800 174.345 -0.545 18281 5414 1 7 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.952 -0.002 18281 5415 1 7 . 1 1 89 89 GLY H H 89 8.830 8.830 8.168 0.662 18281 5416 1 7 . 1 1 90 90 ASP N N 90 119.650 119.650 126.587 -6.937 18281 5417 1 7 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.202 0.158 18281 5418 1 7 . 1 1 90 90 ASP C C 90 176.570 176.570 177.043 -0.473 18281 5419 1 7 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.718 0.322 18281 5420 1 7 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.289 0.991 18281 5421 1 7 . 1 1 90 90 ASP H H 90 8.430 8.430 8.072 0.358 18281 5422 1 7 . 1 1 91 91 ALA N N 91 118.530 118.530 119.949 -1.419 18281 5423 1 7 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.072 0.168 18281 5424 1 7 . 1 1 91 91 ALA C C 91 177.740 177.740 178.133 -0.393 18281 5425 1 7 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.670 -0.460 18281 5426 1 7 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.452 0.858 18281 5427 1 7 . 1 1 91 91 ALA H H 91 7.810 7.810 8.034 -0.224 18281 5428 1 7 . 1 1 92 92 LEU N N 92 117.330 117.330 118.047 -0.717 18281 5429 1 7 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.156 0.304 18281 5430 1 7 . 1 1 92 92 LEU C C 92 176.210 176.210 177.141 -0.931 18281 5431 1 7 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.973 -1.953 18281 5432 1 7 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.678 -2.468 18281 5433 1 7 . 1 1 92 92 LEU H H 92 7.600 7.600 7.972 -0.372 18281 5434 1 7 . 1 1 93 93 SER N N 93 115.780 115.780 113.082 2.698 18281 5435 1 7 . 1 1 93 93 SER HA H 93 4.620 4.620 4.026 0.594 18281 5436 1 7 . 1 1 93 93 SER C C 93 173.970 173.970 175.373 -1.403 18281 5437 1 7 . 1 1 93 93 SER CA C 93 57.730 57.730 58.864 -1.134 18281 5438 1 7 . 1 1 93 93 SER CB C 93 64.920 64.920 63.435 1.484 18281 5439 1 7 . 1 1 93 93 SER H H 93 7.910 7.910 7.539 0.371 18281 5440 1 7 . 1 1 94 94 GLU N N 94 119.400 119.400 119.768 -0.368 18281 5441 1 7 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.183 -0.023 18281 5442 1 7 . 1 1 94 94 GLU C C 94 176.570 176.570 176.544 0.026 18281 5443 1 7 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.770 0.930 18281 5444 1 7 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.478 -0.268 18281 5445 1 7 . 1 1 94 94 GLU H H 94 8.850 8.850 8.744 0.106 18281 5446 1 7 . 1 1 95 95 ASN N N 95 113.460 113.460 115.741 -2.281 18281 5447 1 7 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.694 0.106 18281 5448 1 7 . 1 1 95 95 ASN C C 95 174.070 174.070 175.184 -1.114 18281 5449 1 7 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.984 0.136 18281 5450 1 7 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.630 -0.280 18281 5451 1 7 . 1 1 95 95 ASN H H 95 8.290 8.290 7.767 0.523 18281 5452 1 7 . 1 1 96 96 ILE N N 96 120.610 120.610 120.744 -0.134 18281 5453 1 7 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.350 -0.160 18281 5454 1 7 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.892 0.037 18281 5455 1 7 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.518 -0.648 18281 5456 1 7 . 1 1 96 96 ILE H H 96 7.770 7.770 7.648 0.122 18281 5457 1 7 . 1 1 97 97 GLU N N 97 126.670 126.670 126.828 -0.158 18281 5458 1 7 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.546 0.244 18281 5459 1 7 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.123 1.077 18281 5460 1 7 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.052 1.899 18281 5461 1 7 . 1 1 97 97 GLU H H 97 8.460 8.460 9.127 -0.667 18281 5462 1 7 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.343 0.367 18281 5463 1 7 . 1 1 98 98 LYS C C 98 173.650 173.650 176.336 -2.686 18281 5464 1 7 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.480 -1.510 18281 5465 1 7 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.879 1.921 18281 5466 1 7 . 1 1 99 99 ILE N N 99 120.290 120.290 121.303 -1.013 18281 5467 1 7 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.619 0.171 18281 5468 1 7 . 1 1 99 99 ILE C C 99 174.690 174.690 174.958 -0.268 18281 5469 1 7 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.881 0.419 18281 5470 1 7 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.837 0.713 18281 5471 1 7 . 1 1 99 99 ILE H H 99 7.720 7.720 8.037 -0.317 18281 5472 1 7 . 1 1 100 100 ASP N N 100 126.970 126.970 126.401 0.569 18281 5473 1 7 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.930 0.170 18281 5474 1 7 . 1 1 100 100 ASP C C 100 174.490 174.490 174.672 -0.182 18281 5475 1 7 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.090 -0.460 18281 5476 1 7 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.614 1.236 18281 5477 1 7 . 1 1 100 100 ASP H H 100 9.220 9.220 8.971 0.249 18281 5478 1 7 . 1 1 101 101 TYR N N 101 120.640 120.640 122.915 -2.275 18281 5479 1 7 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.950 0.330 18281 5480 1 7 . 1 1 101 101 TYR C C 101 175.740 175.740 175.098 0.642 18281 5481 1 7 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.715 0.265 18281 5482 1 7 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.218 0.422 18281 5483 1 7 . 1 1 101 101 TYR H H 101 9.140 9.140 9.285 -0.145 18281 5484 1 7 . 1 1 102 102 GLU N N 102 122.040 122.040 122.179 -0.139 18281 5485 1 7 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.965 0.165 18281 5486 1 7 . 1 1 102 102 GLU C C 102 175.360 175.360 175.778 -0.418 18281 5487 1 7 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.268 0.602 18281 5488 1 7 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.173 -1.103 18281 5489 1 7 . 1 1 102 102 GLU H H 102 8.670 8.670 9.140 -0.470 18281 5490 1 7 . 1 1 103 103 THR N N 103 125.840 125.840 119.466 6.374 18281 5491 1 7 . 1 1 103 103 THR HA H 103 5.580 5.580 5.049 0.531 18281 5492 1 7 . 1 1 103 103 THR C C 103 172.780 172.780 173.254 -0.474 18281 5493 1 7 . 1 1 103 103 THR CA C 103 62.150 62.150 61.431 0.719 18281 5494 1 7 . 1 1 103 103 THR CB C 103 71.750 71.750 71.545 0.205 18281 5495 1 7 . 1 1 103 103 THR H H 103 9.550 9.550 9.492 0.058 18281 5496 1 7 . 1 1 104 104 LYS N N 104 126.990 126.990 127.368 -0.378 18281 5497 1 7 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.846 0.394 18281 5498 1 7 . 1 1 104 104 LYS C C 104 174.300 174.300 173.999 0.301 18281 5499 1 7 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.284 0.046 18281 5500 1 7 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.008 -0.069 18281 5501 1 7 . 1 1 104 104 LYS H H 104 9.430 9.430 9.038 0.392 18281 5502 1 7 . 1 1 105 105 LEU N N 105 124.700 124.700 127.499 -2.799 18281 5503 1 7 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.679 0.531 18281 5504 1 7 . 1 1 105 105 LEU C C 105 175.780 175.780 175.915 -0.135 18281 5505 1 7 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.606 1.014 18281 5506 1 7 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.905 0.045 18281 5507 1 7 . 1 1 105 105 LEU H H 105 8.410 8.410 8.568 -0.158 18281 5508 1 7 . 1 1 106 106 VAL N N 106 123.290 123.290 122.532 0.758 18281 5509 1 7 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.379 0.051 18281 5510 1 7 . 1 1 106 106 VAL C C 106 175.560 175.560 174.672 0.888 18281 5511 1 7 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.442 0.028 18281 5512 1 7 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.562 -0.542 18281 5513 1 7 . 1 1 106 106 VAL H H 106 9.180 9.180 9.165 0.015 18281 5514 1 7 . 1 1 107 107 SER N N 107 121.800 121.800 119.653 2.147 18281 5515 1 7 . 1 1 107 107 SER HA H 107 4.660 4.660 4.649 0.011 18281 5516 1 7 . 1 1 107 107 SER C C 107 173.600 173.600 173.461 0.139 18281 5517 1 7 . 1 1 107 107 SER CA C 107 59.860 59.860 56.802 3.058 18281 5518 1 7 . 1 1 107 107 SER CB C 107 63.250 63.250 65.008 -1.758 18281 5519 1 7 . 1 1 107 107 SER H H 107 8.910 8.910 8.342 0.568 18281 5520 1 7 . 1 1 108 108 ALA N N 108 129.210 129.210 124.453 4.757 18281 5521 1 7 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.871 -0.241 18281 5522 1 7 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.493 1.127 18281 5523 1 7 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.850 -0.050 18281 5524 1 7 . 1 1 108 108 ALA H H 108 8.310 8.310 8.648 -0.338 18281 5525 1 7 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.240 0.180 18281 5526 1 7 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.142 -0.442 18281 5527 1 7 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.480 0.720 18281 5528 1 7 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.525 0.245 18281 5529 1 7 . 1 1 110 110 HIS C C 110 175.760 175.760 176.130 -0.370 18281 5530 1 7 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.730 -1.340 18281 5531 1 7 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.903 -0.493 18281 5532 1 7 . 1 1 111 111 GLY N N 111 108.720 108.720 107.504 1.216 18281 5533 1 7 . 1 1 111 111 GLY C C 111 174.390 174.390 173.805 0.585 18281 5534 1 7 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.203 -0.073 18281 5535 1 7 . 1 1 111 111 GLY H H 111 7.730 7.730 7.728 0.002 18281 5536 1 7 . 1 1 112 112 GLY N N 112 107.670 107.670 108.497 -0.827 18281 5537 1 7 . 1 1 112 112 GLY C C 112 174.150 174.150 173.117 1.033 18281 5538 1 7 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.567 -0.147 18281 5539 1 7 . 1 1 112 112 GLY H H 112 7.600 7.600 7.963 -0.363 18281 5540 1 7 . 1 1 113 113 THR N N 113 119.830 119.830 115.923 3.907 18281 5541 1 7 . 1 1 113 113 THR HA H 113 5.060 5.060 4.837 0.223 18281 5542 1 7 . 1 1 113 113 THR C C 113 173.250 173.250 173.427 -0.177 18281 5543 1 7 . 1 1 113 113 THR CA C 113 62.990 62.990 61.668 1.322 18281 5544 1 7 . 1 1 113 113 THR CB C 113 72.270 72.270 70.836 1.434 18281 5545 1 7 . 1 1 113 113 THR H H 113 9.070 9.070 8.022 1.048 18281 5546 1 7 . 1 1 114 114 ILE N N 114 127.600 127.600 127.388 0.212 18281 5547 1 7 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.619 -0.109 18281 5548 1 7 . 1 1 114 114 ILE C C 114 174.370 174.370 174.445 -0.075 18281 5549 1 7 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.606 0.554 18281 5550 1 7 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.680 0.290 18281 5551 1 7 . 1 1 114 114 ILE H H 114 9.490 9.490 9.181 0.309 18281 5552 1 7 . 1 1 115 115 ILE N N 115 129.200 129.200 126.948 2.252 18281 5553 1 7 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.784 -0.284 18281 5554 1 7 . 1 1 115 115 ILE C C 115 175.000 175.000 174.801 0.199 18281 5555 1 7 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.012 1.388 18281 5556 1 7 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.574 -2.574 18281 5557 1 7 . 1 1 115 115 ILE H H 115 9.220 9.220 8.781 0.439 18281 5558 1 7 . 1 1 116 116 LYS N N 116 127.550 127.550 127.678 -0.128 18281 5559 1 7 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.572 -0.402 18281 5560 1 7 . 1 1 116 116 LYS C C 116 176.300 176.300 175.650 0.650 18281 5561 1 7 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.610 0.760 18281 5562 1 7 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.132 -0.552 18281 5563 1 7 . 1 1 116 116 LYS H H 116 9.130 9.130 9.074 0.056 18281 5564 1 7 . 1 1 117 117 THR N N 117 120.940 120.940 117.881 3.059 18281 5565 1 7 . 1 1 117 117 THR HA H 117 5.730 5.730 5.280 0.450 18281 5566 1 7 . 1 1 117 117 THR C C 117 174.620 174.620 173.872 0.748 18281 5567 1 7 . 1 1 117 117 THR CA C 117 60.990 60.990 60.323 0.667 18281 5568 1 7 . 1 1 117 117 THR CB C 117 71.750 71.750 71.394 0.356 18281 5569 1 7 . 1 1 117 117 THR H H 117 9.020 9.020 8.995 0.025 18281 5570 1 7 . 1 1 118 118 THR N N 118 125.750 125.750 123.808 1.942 18281 5571 1 7 . 1 1 118 118 THR HA H 118 5.170 5.170 5.247 -0.077 18281 5572 1 7 . 1 1 118 118 THR C C 118 173.760 173.760 173.526 0.234 18281 5573 1 7 . 1 1 118 118 THR CA C 118 61.800 61.800 61.630 0.170 18281 5574 1 7 . 1 1 118 118 THR CB C 118 70.720 70.720 71.030 -0.310 18281 5575 1 7 . 1 1 118 118 THR H H 118 9.500 9.500 8.798 0.702 18281 5576 1 7 . 1 1 119 119 SER N N 119 122.250 122.250 121.403 0.847 18281 5577 1 7 . 1 1 119 119 SER HA H 119 5.270 5.270 5.190 0.080 18281 5578 1 7 . 1 1 119 119 SER C C 119 172.960 172.960 172.516 0.444 18281 5579 1 7 . 1 1 119 119 SER CA C 119 55.860 55.860 57.395 -1.535 18281 5580 1 7 . 1 1 119 119 SER CB C 119 66.720 66.720 65.919 0.801 18281 5581 1 7 . 1 1 119 119 SER H H 119 9.410 9.410 8.967 0.443 18281 5582 1 7 . 1 1 120 120 LYS N N 120 124.120 124.120 124.729 -0.609 18281 5583 1 7 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.663 0.577 18281 5584 1 7 . 1 1 120 120 LYS C C 120 174.780 174.780 173.774 1.006 18281 5585 1 7 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.252 -0.422 18281 5586 1 7 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.402 -0.242 18281 5587 1 7 . 1 1 120 120 LYS H H 120 9.150 9.150 8.414 0.736 18281 5588 1 7 . 1 1 121 121 TYR N N 121 126.500 126.500 121.601 4.899 18281 5589 1 7 . 1 1 121 121 TYR CA C 121 58.000 58.000 55.057 2.943 18281 5590 1 7 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.140 -0.940 18281 5591 1 7 . 1 1 121 121 TYR H H 121 9.800 9.800 8.105 1.695 18281 5592 1 7 . 1 1 122 122 HIS C C 122 174.670 174.670 174.992 -0.322 18281 5593 1 7 . 1 1 123 123 THR N N 123 125.750 125.750 110.923 14.827 18281 5594 1 7 . 1 1 123 123 THR HA H 123 5.400 5.400 4.792 0.608 18281 5595 1 7 . 1 1 123 123 THR C C 123 174.460 174.460 174.941 -0.481 18281 5596 1 7 . 1 1 123 123 THR CA C 123 60.230 60.230 60.083 0.147 18281 5597 1 7 . 1 1 123 123 THR CB C 123 71.260 71.260 71.752 -0.492 18281 5598 1 7 . 1 1 123 123 THR H H 123 8.920 8.920 8.373 0.546 18281 5599 1 7 . 1 1 124 124 LYS N N 124 121.170 121.170 121.199 -0.029 18281 5600 1 7 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.327 0.433 18281 5601 1 7 . 1 1 124 124 LYS C C 124 176.450 176.450 177.321 -0.871 18281 5602 1 7 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.794 -3.284 18281 5603 1 7 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.744 1.156 18281 5604 1 7 . 1 1 124 124 LYS H H 124 8.590 8.590 8.410 0.180 18281 5605 1 7 . 1 1 125 125 GLY N N 125 110.070 110.070 105.911 4.159 18281 5606 1 7 . 1 1 125 125 GLY C C 125 173.620 173.620 173.285 0.335 18281 5607 1 7 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.261 0.009 18281 5608 1 7 . 1 1 125 125 GLY H H 125 8.390 8.390 7.711 0.679 18281 5609 1 7 . 1 1 126 126 ASP N N 126 120.070 120.070 118.979 1.091 18281 5610 1 7 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.240 0.430 18281 5611 1 7 . 1 1 126 126 ASP C C 126 175.580 175.580 175.994 -0.414 18281 5612 1 7 . 1 1 126 126 ASP CA C 126 54.290 54.290 55.020 -0.730 18281 5613 1 7 . 1 1 126 126 ASP CB C 126 40.360 40.360 38.862 1.498 18281 5614 1 7 . 1 1 126 126 ASP H H 126 8.440 8.440 8.492 -0.052 18281 5615 1 7 . 1 1 127 127 VAL N N 127 119.620 119.620 114.379 5.241 18281 5616 1 7 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.917 0.323 18281 5617 1 7 . 1 1 127 127 VAL C C 127 174.610 174.610 175.865 -1.255 18281 5618 1 7 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.274 -2.044 18281 5619 1 7 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.452 1.798 18281 5620 1 7 . 1 1 127 127 VAL H H 127 7.620 7.620 7.461 0.159 18281 5621 1 7 . 1 1 128 128 GLU N N 128 125.030 125.030 123.730 1.300 18281 5622 1 7 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.328 -0.198 18281 5623 1 7 . 1 1 128 128 GLU C C 128 175.680 175.680 175.587 0.093 18281 5624 1 7 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.523 -0.983 18281 5625 1 7 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.284 0.506 18281 5626 1 7 . 1 1 128 128 GLU H H 128 8.330 8.330 8.259 0.071 18281 5627 1 7 . 1 1 129 129 ILE N N 129 124.070 124.070 121.872 2.198 18281 5628 1 7 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.458 -0.498 18281 5629 1 7 . 1 1 129 129 ILE C C 129 175.960 175.960 174.616 1.344 18281 5630 1 7 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.593 -0.243 18281 5631 1 7 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.675 -3.995 18281 5632 1 7 . 1 1 129 129 ILE H H 129 7.380 7.380 8.348 -0.968 18281 5633 1 7 . 1 1 130 130 LYS N N 130 127.800 127.800 122.980 4.820 18281 5634 1 7 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.489 -0.209 18281 5635 1 7 . 1 1 130 130 LYS C C 130 177.660 177.660 176.671 0.989 18281 5636 1 7 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.591 0.259 18281 5637 1 7 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.855 -0.045 18281 5638 1 7 . 1 1 130 130 LYS H H 130 8.790 8.790 8.727 0.063 18281 5639 1 7 . 1 1 131 131 GLU N N 131 125.060 125.060 126.352 -1.292 18281 5640 1 7 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.869 -0.059 18281 5641 1 7 . 1 1 131 131 GLU C C 131 178.630 178.630 178.234 0.396 18281 5642 1 7 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.150 -0.640 18281 5643 1 7 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.711 -0.411 18281 5644 1 7 . 1 1 131 131 GLU H H 131 8.880 8.880 9.140 -0.260 18281 5645 1 7 . 1 1 132 132 GLU N N 132 117.220 117.220 117.197 0.023 18281 5646 1 7 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.004 -0.024 18281 5647 1 7 . 1 1 132 132 GLU C C 132 178.630 178.630 179.083 -0.453 18281 5648 1 7 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.450 0.160 18281 5649 1 7 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.150 -0.170 18281 5650 1 7 . 1 1 132 132 GLU H H 132 9.200 9.200 8.959 0.241 18281 5651 1 7 . 1 1 133 133 HIS N N 133 119.810 119.810 119.291 0.519 18281 5652 1 7 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.276 0.194 18281 5653 1 7 . 1 1 133 133 HIS C C 133 178.430 178.430 177.959 0.471 18281 5654 1 7 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.369 0.761 18281 5655 1 7 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.923 1.397 18281 5656 1 7 . 1 1 133 133 HIS H H 133 7.500 7.500 7.499 0.001 18281 5657 1 7 . 1 1 134 134 VAL N N 134 120.370 120.370 119.561 0.809 18281 5658 1 7 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.626 0.024 18281 5659 1 7 . 1 1 134 134 VAL C C 134 179.170 179.170 177.555 1.615 18281 5660 1 7 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.733 -0.553 18281 5661 1 7 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.851 0.859 18281 5662 1 7 . 1 1 134 134 VAL H H 134 7.290 7.290 8.034 -0.744 18281 5663 1 7 . 1 1 135 135 LYS N N 135 121.310 121.310 120.451 0.859 18281 5664 1 7 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.871 0.089 18281 5665 1 7 . 1 1 135 135 LYS C C 135 178.310 178.310 178.519 -0.209 18281 5666 1 7 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.926 -0.596 18281 5667 1 7 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.394 -0.214 18281 5668 1 7 . 1 1 135 135 LYS H H 135 8.310 8.310 8.564 -0.254 18281 5669 1 7 . 1 1 136 136 ALA N N 136 121.150 121.150 120.701 0.449 18281 5670 1 7 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.080 0.150 18281 5671 1 7 . 1 1 136 136 ALA C C 136 180.930 180.930 179.514 1.416 18281 5672 1 7 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.071 -0.051 18281 5673 1 7 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.259 -0.509 18281 5674 1 7 . 1 1 136 136 ALA H H 136 7.950 7.950 8.111 -0.161 18281 5675 1 7 . 1 1 137 137 GLY N N 137 105.640 105.640 106.700 -1.060 18281 5676 1 7 . 1 1 137 137 GLY C C 137 177.000 177.000 176.019 0.981 18281 5677 1 7 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.933 0.227 18281 5678 1 7 . 1 1 137 137 GLY H H 137 7.930 7.930 8.123 -0.193 18281 5679 1 7 . 1 1 138 138 LYS N N 138 124.210 124.210 122.532 1.678 18281 5680 1 7 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.930 0.300 18281 5681 1 7 . 1 1 138 138 LYS C C 138 178.860 178.860 178.571 0.289 18281 5682 1 7 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.758 0.032 18281 5683 1 7 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.471 0.198 18281 5684 1 7 . 1 1 138 138 LYS H H 138 7.960 7.960 8.038 -0.078 18281 5685 1 7 . 1 1 139 139 GLU N N 139 119.720 119.720 118.705 1.015 18281 5686 1 7 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.762 0.378 18281 5687 1 7 . 1 1 139 139 GLU C C 139 179.710 179.710 178.617 1.093 18281 5688 1 7 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.351 -0.171 18281 5689 1 7 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.345 -0.045 18281 5690 1 7 . 1 1 139 139 GLU H H 139 8.370 8.370 8.198 0.172 18281 5691 1 7 . 1 1 140 140 LYS N N 140 120.270 120.270 119.453 0.817 18281 5692 1 7 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.008 0.102 18281 5693 1 7 . 1 1 140 140 LYS C C 140 179.210 179.210 178.886 0.324 18281 5694 1 7 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.502 0.108 18281 5695 1 7 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.357 0.023 18281 5696 1 7 . 1 1 140 140 LYS H H 140 8.140 8.140 8.234 -0.094 18281 5697 1 7 . 1 1 141 141 ALA N N 141 121.910 121.910 121.472 0.438 18281 5698 1 7 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.094 -0.054 18281 5699 1 7 . 1 1 141 141 ALA C C 141 179.530 179.530 179.668 -0.138 18281 5700 1 7 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.080 -0.060 18281 5701 1 7 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.219 0.161 18281 5702 1 7 . 1 1 141 141 ALA H H 141 7.730 7.730 7.961 -0.231 18281 5703 1 7 . 1 1 142 142 ALA N N 142 120.440 120.440 120.651 -0.211 18281 5704 1 7 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.153 -0.273 18281 5705 1 7 . 1 1 142 142 ALA C C 142 180.080 180.080 179.718 0.362 18281 5706 1 7 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.041 -0.141 18281 5707 1 7 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.103 0.127 18281 5708 1 7 . 1 1 142 142 ALA H H 142 8.280 8.280 7.973 0.307 18281 5709 1 7 . 1 1 143 143 HIS N N 143 118.280 118.280 118.285 -0.005 18281 5710 1 7 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.157 0.193 18281 5711 1 7 . 1 1 143 143 HIS C C 143 177.350 177.350 177.959 -0.609 18281 5712 1 7 . 1 1 143 143 HIS CA C 143 59.430 59.430 58.644 0.786 18281 5713 1 7 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.755 0.995 18281 5714 1 7 . 1 1 143 143 HIS H H 143 8.030 8.030 7.914 0.116 18281 5715 1 7 . 1 1 144 144 LEU N N 144 118.820 118.820 119.716 -0.896 18281 5716 1 7 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.766 0.144 18281 5717 1 7 . 1 1 144 144 LEU C C 144 179.040 179.040 178.754 0.286 18281 5718 1 7 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.885 0.195 18281 5719 1 7 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.407 -0.447 18281 5720 1 7 . 1 1 144 144 LEU H H 144 7.700 7.700 8.017 -0.317 18281 5721 1 7 . 1 1 145 145 PHE N N 145 116.920 116.920 116.506 0.414 18281 5722 1 7 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.068 -0.068 18281 5723 1 7 . 1 1 145 145 PHE C C 145 177.900 177.900 177.711 0.189 18281 5724 1 7 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.450 -0.300 18281 5725 1 7 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.791 -0.041 18281 5726 1 7 . 1 1 145 145 PHE H H 145 8.100 8.100 7.792 0.308 18281 5727 1 7 . 1 1 146 146 LYS N N 146 119.710 119.710 119.942 -0.232 18281 5728 1 7 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.013 0.117 18281 5729 1 7 . 1 1 146 146 LYS C C 146 177.750 177.750 178.442 -0.692 18281 5730 1 7 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.737 -0.837 18281 5731 1 7 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.224 0.056 18281 5732 1 7 . 1 1 146 146 LYS H H 146 8.040 8.040 7.567 0.473 18281 5733 1 7 . 1 1 147 147 LEU N N 147 118.970 118.970 119.419 -0.449 18281 5734 1 7 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.168 -0.168 18281 5735 1 7 . 1 1 147 147 LEU C C 147 180.460 180.460 179.135 1.325 18281 5736 1 7 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.424 0.046 18281 5737 1 7 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.958 1.442 18281 5738 1 7 . 1 1 147 147 LEU H H 147 7.960 7.960 7.650 0.310 18281 5739 1 7 . 1 1 148 148 ILE N N 148 121.410 121.410 120.295 1.115 18281 5740 1 7 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.517 0.023 18281 5741 1 7 . 1 1 148 148 ILE C C 148 177.030 177.030 178.168 -1.138 18281 5742 1 7 . 1 1 148 148 ILE CA C 148 65.400 65.400 66.231 -0.831 18281 5743 1 7 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.576 0.114 18281 5744 1 7 . 1 1 148 148 ILE H H 148 8.200 8.200 8.076 0.124 18281 5745 1 7 . 1 1 149 149 GLU N N 149 120.450 120.450 120.226 0.224 18281 5746 1 7 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.040 -0.360 18281 5747 1 7 . 1 1 149 149 GLU C C 149 178.540 178.540 179.090 -0.550 18281 5748 1 7 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.531 0.789 18281 5749 1 7 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.816 -0.986 18281 5750 1 7 . 1 1 149 149 GLU H H 149 8.680 8.680 8.204 0.476 18281 5751 1 7 . 1 1 150 150 GLY N N 150 104.450 104.450 107.122 -2.672 18281 5752 1 7 . 1 1 150 150 GLY C C 150 175.670 175.670 175.726 -0.056 18281 5753 1 7 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.833 0.417 18281 5754 1 7 . 1 1 150 150 GLY H H 150 8.180 8.180 8.324 -0.144 18281 5755 1 7 . 1 1 151 151 TYR N N 151 122.120 122.120 124.332 -2.212 18281 5756 1 7 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.106 0.274 18281 5757 1 7 . 1 1 151 151 TYR C C 151 179.360 179.360 177.485 1.875 18281 5758 1 7 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.898 0.422 18281 5759 1 7 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.565 -2.175 18281 5760 1 7 . 1 1 151 151 TYR H H 151 7.910 7.910 8.593 -0.683 18281 5761 1 7 . 1 1 152 152 LEU N N 152 120.020 120.020 118.035 1.985 18281 5762 1 7 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.921 0.109 18281 5763 1 7 . 1 1 152 152 LEU C C 152 180.320 180.320 178.908 1.412 18281 5764 1 7 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.524 0.236 18281 5765 1 7 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.806 -0.806 18281 5766 1 7 . 1 1 152 152 LEU H H 152 8.630 8.630 7.857 0.773 18281 5767 1 7 . 1 1 153 153 LYS N N 153 119.730 119.730 119.080 0.650 18281 5768 1 7 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.992 -0.022 18281 5769 1 7 . 1 1 153 153 LYS C C 153 178.150 178.150 178.158 -0.008 18281 5770 1 7 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.234 0.166 18281 5771 1 7 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.649 -0.299 18281 5772 1 7 . 1 1 153 153 LYS H H 153 8.260 8.260 7.706 0.554 18281 5773 1 7 . 1 1 154 154 ASP N N 154 117.020 117.020 116.826 0.194 18281 5774 1 7 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.455 -0.455 18281 5775 1 7 . 1 1 154 154 ASP C C 154 175.660 175.660 176.989 -1.329 18281 5776 1 7 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.771 -0.741 18281 5777 1 7 . 1 1 154 154 ASP H H 154 7.560 7.560 8.142 -0.582 18281 5778 1 7 . 1 1 155 155 HIS N N 155 117.160 117.160 120.468 -3.308 18281 5779 1 7 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.359 0.541 18281 5780 1 7 . 1 1 155 155 HIS CA C 155 54.150 54.150 54.923 -0.773 18281 5781 1 7 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.918 -1.928 18281 5782 1 7 . 1 1 155 155 HIS H H 155 7.430 7.430 7.509 -0.079 18281 5783 1 8 . 1 1 3 3 VAL N N 3 119.910 119.910 122.080 -2.170 18281 5784 1 8 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.383 0.537 18281 5785 1 8 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.708 -0.688 18281 5786 1 8 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.885 1.245 18281 5787 1 8 . 1 1 3 3 VAL H H 3 7.630 7.630 8.263 -0.633 18281 5788 1 8 . 1 1 4 4 TYR N N 4 119.930 119.930 127.014 -7.084 18281 5789 1 8 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.655 0.015 18281 5790 1 8 . 1 1 4 4 TYR C C 4 174.670 174.670 174.760 -0.090 18281 5791 1 8 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.531 -0.061 18281 5792 1 8 . 1 1 4 4 TYR CB C 4 41.270 41.270 39.999 1.271 18281 5793 1 8 . 1 1 4 4 TYR H H 4 8.660 8.660 8.520 0.140 18281 5794 1 8 . 1 1 5 5 THR N N 5 119.930 119.930 122.499 -2.569 18281 5795 1 8 . 1 1 5 5 THR HA H 5 5.290 5.290 4.548 0.742 18281 5796 1 8 . 1 1 5 5 THR C C 5 173.180 173.180 172.985 0.195 18281 5797 1 8 . 1 1 5 5 THR CA C 5 61.780 61.780 61.844 -0.064 18281 5798 1 8 . 1 1 5 5 THR CB C 5 70.360 70.360 69.714 0.646 18281 5799 1 8 . 1 1 5 5 THR H H 5 8.230 8.230 7.500 0.730 18281 5800 1 8 . 1 1 6 6 TYR N N 6 125.060 125.060 126.210 -1.150 18281 5801 1 8 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.879 0.411 18281 5802 1 8 . 1 1 6 6 TYR C C 6 174.380 174.380 173.332 1.048 18281 5803 1 8 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.649 0.461 18281 5804 1 8 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.665 -0.815 18281 5805 1 8 . 1 1 6 6 TYR H H 6 9.210 9.210 8.516 0.694 18281 5806 1 8 . 1 1 7 7 GLU N N 7 122.360 122.360 125.898 -3.538 18281 5807 1 8 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.604 0.756 18281 5808 1 8 . 1 1 7 7 GLU C C 7 175.390 175.390 174.368 1.022 18281 5809 1 8 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.402 0.578 18281 5810 1 8 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.648 0.402 18281 5811 1 8 . 1 1 7 7 GLU H H 7 8.830 8.830 7.846 0.984 18281 5812 1 8 . 1 1 8 8 ASN N N 8 119.960 119.960 122.839 -2.879 18281 5813 1 8 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.109 -0.009 18281 5814 1 8 . 1 1 8 8 ASN CA C 8 52.620 52.620 51.837 0.783 18281 5815 1 8 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.785 1.425 18281 5816 1 8 . 1 1 8 8 ASN H H 8 8.800 8.800 9.123 -0.323 18281 5817 1 8 . 1 1 9 9 GLU N N 9 121.420 121.420 123.571 -2.151 18281 5818 1 8 . 1 1 9 9 GLU HA H 9 5.600 5.600 5.061 0.539 18281 5819 1 8 . 1 1 9 9 GLU C C 9 174.590 174.590 174.868 -0.278 18281 5820 1 8 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.178 -0.408 18281 5821 1 8 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.851 0.899 18281 5822 1 8 . 1 1 9 9 GLU H H 9 8.330 8.330 8.764 -0.434 18281 5823 1 8 . 1 1 10 10 PHE N N 10 121.240 121.240 122.951 -1.711 18281 5824 1 8 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.788 0.232 18281 5825 1 8 . 1 1 10 10 PHE C C 10 173.880 173.880 172.571 1.309 18281 5826 1 8 . 1 1 10 10 PHE CA C 10 55.550 55.550 58.000 -2.450 18281 5827 1 8 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.337 -1.867 18281 5828 1 8 . 1 1 10 10 PHE H H 10 8.760 8.760 8.921 -0.161 18281 5829 1 8 . 1 1 11 11 THR N N 11 113.110 113.110 116.036 -2.926 18281 5830 1 8 . 1 1 11 11 THR HA H 11 5.170 5.170 5.252 -0.082 18281 5831 1 8 . 1 1 11 11 THR C C 11 173.530 173.530 173.382 0.148 18281 5832 1 8 . 1 1 11 11 THR CA C 11 60.940 60.940 59.611 1.329 18281 5833 1 8 . 1 1 11 11 THR CB C 11 71.260 71.260 71.058 0.202 18281 5834 1 8 . 1 1 11 11 THR H H 11 8.470 8.470 7.280 1.190 18281 5835 1 8 . 1 1 12 12 SER N N 12 115.490 115.490 116.746 -1.256 18281 5836 1 8 . 1 1 12 12 SER C C 12 173.530 173.530 172.760 0.770 18281 5837 1 8 . 1 1 12 12 SER CA C 12 56.460 56.460 56.767 -0.307 18281 5838 1 8 . 1 1 12 12 SER CB C 12 66.320 66.320 66.649 -0.329 18281 5839 1 8 . 1 1 12 12 SER H H 12 8.870 8.870 8.682 0.188 18281 5840 1 8 . 1 1 13 13 ASP N N 13 126.650 126.650 121.224 5.426 18281 5841 1 8 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.655 0.085 18281 5842 1 8 . 1 1 13 13 ASP C C 13 174.520 174.520 176.398 -1.878 18281 5843 1 8 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.553 0.476 18281 5844 1 8 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.800 -0.800 18281 5845 1 8 . 1 1 13 13 ASP H H 13 9.060 9.060 8.214 0.846 18281 5846 1 8 . 1 1 14 14 ILE N N 14 123.580 123.580 116.715 6.865 18281 5847 1 8 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.912 0.438 18281 5848 1 8 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.298 -3.908 18281 5849 1 8 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.457 -0.117 18281 5850 1 8 . 1 1 14 14 ILE H H 14 8.470 8.470 8.183 0.287 18281 5851 1 8 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.486 -0.046 18281 5852 1 8 . 1 1 15 15 PRO C C 15 177.130 177.130 177.510 -0.380 18281 5853 1 8 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.358 0.712 18281 5854 1 8 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.631 0.819 18281 5855 1 8 . 1 1 16 16 ALA N N 16 126.780 126.780 126.264 0.516 18281 5856 1 8 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.030 -0.030 18281 5857 1 8 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.259 -0.159 18281 5858 1 8 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.319 -0.019 18281 5859 1 8 . 1 1 16 16 ALA H H 16 8.570 8.570 8.250 0.320 18281 5860 1 8 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.475 -0.575 18281 5861 1 8 . 1 1 17 17 PRO C C 17 179.610 179.610 178.940 0.670 18281 5862 1 8 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.634 0.376 18281 5863 1 8 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.320 -0.420 18281 5864 1 8 . 1 1 18 18 LYS N N 18 116.630 116.630 118.569 -1.939 18281 5865 1 8 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.239 -0.099 18281 5866 1 8 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.333 -0.063 18281 5867 1 8 . 1 1 18 18 LYS CB C 18 32.320 32.320 32.142 0.178 18281 5868 1 8 . 1 1 18 18 LYS H H 18 6.710 6.710 7.539 -0.829 18281 5869 1 8 . 1 1 19 19 LEU N N 19 118.930 118.930 121.069 -2.139 18281 5870 1 8 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.248 -0.408 18281 5871 1 8 . 1 1 19 19 LEU C C 19 178.380 178.380 178.193 0.187 18281 5872 1 8 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.818 0.612 18281 5873 1 8 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.846 0.244 18281 5874 1 8 . 1 1 19 19 LEU H H 19 7.950 7.950 7.970 -0.020 18281 5875 1 8 . 1 1 20 20 PHE N N 20 118.660 118.660 120.129 -1.469 18281 5876 1 8 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.115 -0.265 18281 5877 1 8 . 1 1 20 20 PHE C C 20 177.680 177.680 177.141 0.539 18281 5878 1 8 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.238 0.642 18281 5879 1 8 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.204 0.216 18281 5880 1 8 . 1 1 20 20 PHE H H 20 9.040 9.040 8.507 0.533 18281 5881 1 8 . 1 1 21 21 LYS N N 21 118.430 118.430 119.911 -1.481 18281 5882 1 8 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.953 -0.183 18281 5883 1 8 . 1 1 21 21 LYS C C 21 176.400 176.400 178.503 -2.103 18281 5884 1 8 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.722 0.438 18281 5885 1 8 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.571 0.429 18281 5886 1 8 . 1 1 21 21 LYS H H 21 7.630 7.630 7.864 -0.234 18281 5887 1 8 . 1 1 22 22 ALA N N 22 118.710 118.710 120.149 -1.439 18281 5888 1 8 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.137 0.633 18281 5889 1 8 . 1 1 22 22 ALA C C 22 175.450 175.450 178.764 -3.314 18281 5890 1 8 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.194 1.346 18281 5891 1 8 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.241 1.959 18281 5892 1 8 . 1 1 22 22 ALA H H 22 7.390 7.390 7.558 -0.168 18281 5893 1 8 . 1 1 23 23 PHE N N 23 109.720 109.720 117.609 -7.889 18281 5894 1 8 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.254 -0.014 18281 5895 1 8 . 1 1 23 23 PHE C C 23 174.130 174.130 175.299 -1.169 18281 5896 1 8 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.361 -2.041 18281 5897 1 8 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.530 -0.090 18281 5898 1 8 . 1 1 23 23 PHE H H 23 8.400 8.400 7.651 0.749 18281 5899 1 8 . 1 1 24 24 VAL N N 24 113.250 113.250 111.448 1.802 18281 5900 1 8 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.619 -0.299 18281 5901 1 8 . 1 1 24 24 VAL C C 24 177.660 177.660 177.069 0.591 18281 5902 1 8 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.546 0.954 18281 5903 1 8 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.573 -1.693 18281 5904 1 8 . 1 1 24 24 VAL H H 24 7.220 7.220 7.361 -0.141 18281 5905 1 8 . 1 1 25 25 LEU N N 25 116.250 116.250 121.071 -4.821 18281 5906 1 8 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.145 -0.255 18281 5907 1 8 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.418 0.492 18281 5908 1 8 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.091 -1.091 18281 5909 1 8 . 1 1 25 25 LEU H H 25 7.180 7.180 8.283 -1.103 18281 5910 1 8 . 1 1 26 26 ASP N N 26 117.160 117.160 116.699 0.461 18281 5911 1 8 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.726 0.574 18281 5912 1 8 . 1 1 26 26 ASP C C 26 177.300 177.300 176.560 0.740 18281 5913 1 8 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.279 -1.109 18281 5914 1 8 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.851 2.069 18281 5915 1 8 . 1 1 26 26 ASP H H 26 8.070 8.070 7.536 0.534 18281 5916 1 8 . 1 1 27 27 ALA N N 27 123.040 123.040 122.812 0.228 18281 5917 1 8 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.784 -0.024 18281 5918 1 8 . 1 1 27 27 ALA C C 27 178.900 178.900 179.037 -0.137 18281 5919 1 8 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.786 1.254 18281 5920 1 8 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.663 0.767 18281 5921 1 8 . 1 1 27 27 ALA H H 27 6.360 6.360 7.014 -0.654 18281 5922 1 8 . 1 1 28 28 ASP N N 28 115.060 115.060 118.072 -3.012 18281 5923 1 8 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.206 -0.226 18281 5924 1 8 . 1 1 28 28 ASP C C 28 175.850 175.850 176.643 -0.793 18281 5925 1 8 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.172 -1.632 18281 5926 1 8 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.190 -0.550 18281 5927 1 8 . 1 1 28 28 ASP H H 28 8.290 8.290 8.456 -0.166 18281 5928 1 8 . 1 1 29 29 ASN N N 29 113.110 113.110 114.456 -1.346 18281 5929 1 8 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.637 0.093 18281 5930 1 8 . 1 1 29 29 ASN C C 29 176.430 176.430 176.776 -0.346 18281 5931 1 8 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.545 -0.935 18281 5932 1 8 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.343 0.917 18281 5933 1 8 . 1 1 29 29 ASN H H 29 7.360 7.360 7.724 -0.364 18281 5934 1 8 . 1 1 30 30 LEU N N 30 120.630 120.630 122.060 -1.430 18281 5935 1 8 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.975 0.045 18281 5936 1 8 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.059 0.742 18281 5937 1 8 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.309 1.471 18281 5938 1 8 . 1 1 30 30 LEU H H 30 8.320 8.320 8.540 -0.220 18281 5939 1 8 . 1 1 31 31 ILE N N 31 116.170 116.170 119.696 -3.526 18281 5940 1 8 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.616 0.034 18281 5941 1 8 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.491 -0.691 18281 5942 1 8 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.191 -1.281 18281 5943 1 8 . 1 1 31 31 ILE H H 31 8.140 8.140 8.261 -0.121 18281 5944 1 8 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.253 0.267 18281 5945 1 8 . 1 1 32 32 PRO C C 32 177.680 177.680 177.261 0.419 18281 5946 1 8 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.577 0.943 18281 5947 1 8 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.114 0.406 18281 5948 1 8 . 1 1 33 33 LYS N N 33 112.410 112.410 117.947 -5.537 18281 5949 1 8 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.099 0.051 18281 5950 1 8 . 1 1 33 33 LYS C C 33 178.220 178.220 179.119 -0.899 18281 5951 1 8 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.494 -0.204 18281 5952 1 8 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.193 0.717 18281 5953 1 8 . 1 1 33 33 LYS H H 33 6.880 6.880 7.103 -0.223 18281 5954 1 8 . 1 1 34 34 ILE N N 34 112.260 112.260 118.410 -6.150 18281 5955 1 8 . 1 1 34 34 ILE HA H 34 4.320 4.320 4.120 0.200 18281 5956 1 8 . 1 1 34 34 ILE C C 34 175.920 175.920 176.632 -0.712 18281 5957 1 8 . 1 1 34 34 ILE CA C 34 61.820 61.820 64.035 -2.215 18281 5958 1 8 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.610 0.740 18281 5959 1 8 . 1 1 34 34 ILE H H 34 7.560 7.560 7.599 -0.039 18281 5960 1 8 . 1 1 35 35 ALA N N 35 124.420 124.420 119.949 4.471 18281 5961 1 8 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.774 0.196 18281 5962 1 8 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.587 -0.227 18281 5963 1 8 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.942 0.318 18281 5964 1 8 . 1 1 35 35 ALA H H 35 8.820 8.820 7.376 1.444 18281 5965 1 8 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.273 0.457 18281 5966 1 8 . 1 1 36 36 PRO C C 36 177.890 177.890 177.730 0.160 18281 5967 1 8 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.756 -0.516 18281 5968 1 8 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.450 -0.770 18281 5969 1 8 . 1 1 37 37 GLN N N 37 115.580 115.580 117.828 -2.248 18281 5970 1 8 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.084 0.166 18281 5971 1 8 . 1 1 37 37 GLN C C 37 177.740 177.740 176.660 1.080 18281 5972 1 8 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.028 -0.718 18281 5973 1 8 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.100 -0.580 18281 5974 1 8 . 1 1 37 37 GLN H H 37 8.660 8.660 8.448 0.212 18281 5975 1 8 . 1 1 38 38 ALA N N 38 123.250 123.250 120.017 3.233 18281 5976 1 8 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.441 -0.051 18281 5977 1 8 . 1 1 38 38 ALA C C 38 177.850 177.850 177.278 0.572 18281 5978 1 8 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.125 0.375 18281 5979 1 8 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.389 0.441 18281 5980 1 8 . 1 1 38 38 ALA H H 38 8.030 8.030 7.896 0.134 18281 5981 1 8 . 1 1 39 39 VAL N N 39 117.330 117.330 114.564 2.766 18281 5982 1 8 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.258 -0.128 18281 5983 1 8 . 1 1 39 39 VAL C C 39 172.750 172.750 174.555 -1.805 18281 5984 1 8 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.722 1.728 18281 5985 1 8 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.887 -1.257 18281 5986 1 8 . 1 1 39 39 VAL H H 39 7.660 7.660 7.313 0.347 18281 5987 1 8 . 1 1 40 40 LYS N N 40 125.270 125.270 125.742 -0.472 18281 5988 1 8 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.195 0.265 18281 5989 1 8 . 1 1 40 40 LYS C C 40 177.240 177.240 176.456 0.784 18281 5990 1 8 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.306 -0.856 18281 5991 1 8 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.507 0.493 18281 5992 1 8 . 1 1 40 40 LYS H H 40 8.910 8.910 8.615 0.295 18281 5993 1 8 . 1 1 41 41 CYS N N 41 112.210 112.210 116.126 -3.916 18281 5994 1 8 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.394 0.166 18281 5995 1 8 . 1 1 41 41 CYS C C 41 170.900 170.900 172.536 -1.636 18281 5996 1 8 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.224 -2.204 18281 5997 1 8 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.837 -0.037 18281 5998 1 8 . 1 1 41 41 CYS H H 41 7.680 7.680 7.859 -0.179 18281 5999 1 8 . 1 1 42 42 ALA N N 42 125.620 125.620 128.839 -3.219 18281 6000 1 8 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.676 0.544 18281 6001 1 8 . 1 1 42 42 ALA C C 42 175.690 175.690 176.267 -0.577 18281 6002 1 8 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.376 -0.396 18281 6003 1 8 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.687 2.313 18281 6004 1 8 . 1 1 42 42 ALA H H 42 8.700 8.700 8.583 0.117 18281 6005 1 8 . 1 1 43 43 GLU N N 43 120.730 120.730 123.420 -2.690 18281 6006 1 8 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.697 -0.037 18281 6007 1 8 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.740 -0.370 18281 6008 1 8 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.485 0.635 18281 6009 1 8 . 1 1 43 43 GLU H H 43 8.810 8.810 8.397 0.413 18281 6010 1 8 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.527 -0.487 18281 6011 1 8 . 1 1 44 44 ILE C C 44 176.190 176.190 176.241 -0.051 18281 6012 1 8 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.692 1.298 18281 6013 1 8 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.401 -0.621 18281 6014 1 8 . 1 1 45 45 LEU N N 45 129.030 129.030 128.872 0.158 18281 6015 1 8 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.169 0.281 18281 6016 1 8 . 1 1 45 45 LEU C C 45 177.270 177.270 177.313 -0.043 18281 6017 1 8 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.454 -1.444 18281 6018 1 8 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.462 0.018 18281 6019 1 8 . 1 1 45 45 LEU H H 45 9.090 9.090 8.758 0.332 18281 6020 1 8 . 1 1 46 46 GLU N N 46 116.640 116.640 113.905 2.735 18281 6021 1 8 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.516 0.094 18281 6022 1 8 . 1 1 46 46 GLU C C 46 174.840 174.840 175.944 -1.104 18281 6023 1 8 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.667 -0.057 18281 6024 1 8 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.184 0.386 18281 6025 1 8 . 1 1 46 46 GLU H H 46 7.700 7.700 7.535 0.165 18281 6026 1 8 . 1 1 47 47 GLY N N 47 110.230 110.230 109.981 0.249 18281 6027 1 8 . 1 1 47 47 GLY C C 47 173.630 173.630 173.866 -0.236 18281 6028 1 8 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.754 -1.073 18281 6029 1 8 . 1 1 47 47 GLY H H 47 8.620 8.620 8.703 -0.083 18281 6030 1 8 . 1 1 48 48 ASP N N 48 115.220 115.220 120.774 -5.554 18281 6031 1 8 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.340 0.430 18281 6032 1 8 . 1 1 48 48 ASP C C 48 177.340 177.340 175.992 1.348 18281 6033 1 8 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.845 -1.925 18281 6034 1 8 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.306 2.374 18281 6035 1 8 . 1 1 48 48 ASP H H 48 7.960 7.960 8.425 -0.465 18281 6036 1 8 . 1 1 49 49 GLY N N 49 110.900 110.900 103.290 7.610 18281 6037 1 8 . 1 1 49 49 GLY C C 49 174.750 174.750 173.710 1.040 18281 6038 1 8 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.239 0.071 18281 6039 1 8 . 1 1 49 49 GLY H H 49 8.750 8.750 8.529 0.221 18281 6040 1 8 . 1 1 50 50 GLY N N 50 107.020 107.020 107.286 -0.266 18281 6041 1 8 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.818 0.782 18281 6042 1 8 . 1 1 50 50 GLY H H 50 8.300 8.300 8.202 0.098 18281 6043 1 8 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.231 -0.271 18281 6044 1 8 . 1 1 51 51 PRO C C 51 176.780 176.780 177.645 -0.865 18281 6045 1 8 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.448 1.552 18281 6046 1 8 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.679 0.191 18281 6047 1 8 . 1 1 52 52 GLY N N 52 114.320 114.320 113.683 0.637 18281 6048 1 8 . 1 1 52 52 GLY C C 52 174.170 174.170 173.993 0.177 18281 6049 1 8 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.592 -0.912 18281 6050 1 8 . 1 1 52 52 GLY H H 52 9.240 9.240 8.736 0.504 18281 6051 1 8 . 1 1 53 53 THR N N 53 118.900 118.900 115.870 3.030 18281 6052 1 8 . 1 1 53 53 THR HA H 53 4.660 4.660 4.586 0.074 18281 6053 1 8 . 1 1 53 53 THR C C 53 173.510 173.510 174.157 -0.647 18281 6054 1 8 . 1 1 53 53 THR CA C 53 64.580 64.580 63.784 0.796 18281 6055 1 8 . 1 1 53 53 THR CB C 53 70.070 70.070 70.437 -0.367 18281 6056 1 8 . 1 1 53 53 THR H H 53 7.910 7.910 7.385 0.525 18281 6057 1 8 . 1 1 54 54 ILE N N 54 124.830 124.830 126.555 -1.725 18281 6058 1 8 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.556 0.754 18281 6059 1 8 . 1 1 54 54 ILE C C 54 175.260 175.260 174.795 0.465 18281 6060 1 8 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.620 -0.750 18281 6061 1 8 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.556 -0.106 18281 6062 1 8 . 1 1 54 54 ILE H H 54 8.550 8.550 8.461 0.089 18281 6063 1 8 . 1 1 55 55 LYS N N 55 126.970 126.970 126.359 0.611 18281 6064 1 8 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.153 0.147 18281 6065 1 8 . 1 1 55 55 LYS C C 55 173.950 173.950 175.358 -1.408 18281 6066 1 8 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.544 -0.714 18281 6067 1 8 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.923 0.807 18281 6068 1 8 . 1 1 55 55 LYS H H 55 9.400 9.400 9.039 0.361 18281 6069 1 8 . 1 1 56 56 LYS N N 56 124.220 124.220 125.016 -0.796 18281 6070 1 8 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.883 0.397 18281 6071 1 8 . 1 1 56 56 LYS C C 56 175.230 175.230 174.430 0.800 18281 6072 1 8 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.615 -0.825 18281 6073 1 8 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.007 0.053 18281 6074 1 8 . 1 1 56 56 LYS H H 56 9.360 9.360 9.099 0.261 18281 6075 1 8 . 1 1 57 57 ILE N N 57 132.380 132.380 127.507 4.873 18281 6076 1 8 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.363 0.277 18281 6077 1 8 . 1 1 57 57 ILE C C 57 174.840 174.840 174.746 0.094 18281 6078 1 8 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.068 0.412 18281 6079 1 8 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.193 -1.923 18281 6080 1 8 . 1 1 57 57 ILE H H 57 9.240 9.240 9.131 0.109 18281 6081 1 8 . 1 1 58 58 THR N N 58 122.310 122.310 121.388 0.922 18281 6082 1 8 . 1 1 58 58 THR HA H 58 5.180 5.180 4.677 0.503 18281 6083 1 8 . 1 1 58 58 THR C C 58 174.260 174.260 173.258 1.002 18281 6084 1 8 . 1 1 58 58 THR CA C 58 61.720 61.720 61.981 -0.261 18281 6085 1 8 . 1 1 58 58 THR CB C 58 70.640 70.640 70.715 -0.075 18281 6086 1 8 . 1 1 58 58 THR H H 58 8.720 8.720 8.328 0.392 18281 6087 1 8 . 1 1 59 59 PHE N N 59 124.570 124.570 125.908 -1.338 18281 6088 1 8 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.943 0.077 18281 6089 1 8 . 1 1 59 59 PHE C C 59 174.510 174.510 176.318 -1.808 18281 6090 1 8 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.435 -0.985 18281 6091 1 8 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.487 0.523 18281 6092 1 8 . 1 1 59 59 PHE H H 59 8.570 8.570 8.412 0.158 18281 6093 1 8 . 1 1 60 60 GLY N N 60 104.600 104.600 112.929 -8.329 18281 6094 1 8 . 1 1 60 60 GLY C C 60 173.500 173.500 174.801 -1.301 18281 6095 1 8 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.944 -0.114 18281 6096 1 8 . 1 1 60 60 GLY H H 60 7.800 7.800 8.080 -0.280 18281 6097 1 8 . 1 1 61 61 GLU N N 61 119.400 119.400 122.414 -3.014 18281 6098 1 8 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.089 0.021 18281 6099 1 8 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.584 -0.784 18281 6100 1 8 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.735 1.206 18281 6101 1 8 . 1 1 61 61 GLU H H 61 8.290 8.290 8.768 -0.478 18281 6102 1 8 . 1 1 62 62 GLY N N 62 110.940 110.940 105.558 5.382 18281 6103 1 8 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.190 1.010 18281 6104 1 8 . 1 1 62 62 GLY H H 62 8.870 8.870 8.544 0.326 18281 6105 1 8 . 1 1 66 66 GLY C C 66 176.930 176.930 172.380 4.550 18281 6106 1 8 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.011 0.069 18281 6107 1 8 . 1 1 67 67 TYR N N 67 115.490 115.490 117.661 -2.171 18281 6108 1 8 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.661 -0.081 18281 6109 1 8 . 1 1 67 67 TYR C C 67 175.470 175.470 173.208 2.262 18281 6110 1 8 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.155 -0.235 18281 6111 1 8 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.426 0.294 18281 6112 1 8 . 1 1 67 67 TYR H H 67 8.110 8.110 7.926 0.184 18281 6113 1 8 . 1 1 68 68 VAL N N 68 111.980 111.980 122.005 -10.025 18281 6114 1 8 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.574 0.446 18281 6115 1 8 . 1 1 68 68 VAL C C 68 175.480 175.480 175.096 0.384 18281 6116 1 8 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.318 -0.818 18281 6117 1 8 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.543 0.917 18281 6118 1 8 . 1 1 68 68 VAL H H 68 8.840 8.840 8.562 0.278 18281 6119 1 8 . 1 1 69 69 LYS N N 69 118.430 118.430 123.653 -5.223 18281 6120 1 8 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.117 0.583 18281 6121 1 8 . 1 1 69 69 LYS C C 69 175.740 175.740 175.114 0.626 18281 6122 1 8 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.462 0.908 18281 6123 1 8 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.711 0.869 18281 6124 1 8 . 1 1 69 69 LYS H H 69 8.590 8.590 9.097 -0.507 18281 6125 1 8 . 1 1 70 70 HIS N N 70 122.590 122.590 121.787 0.803 18281 6126 1 8 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.372 0.818 18281 6127 1 8 . 1 1 70 70 HIS C C 70 174.590 174.590 173.959 0.631 18281 6128 1 8 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.686 -3.846 18281 6129 1 8 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.203 2.807 18281 6130 1 8 . 1 1 70 70 HIS H H 70 9.160 9.160 8.643 0.517 18281 6131 1 8 . 1 1 71 71 LYS N N 71 122.760 122.760 123.987 -1.227 18281 6132 1 8 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.559 -0.069 18281 6133 1 8 . 1 1 71 71 LYS C C 71 175.500 175.500 174.995 0.505 18281 6134 1 8 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.082 -0.042 18281 6135 1 8 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.204 -0.334 18281 6136 1 8 . 1 1 71 71 LYS H H 71 9.460 9.460 9.418 0.042 18281 6137 1 8 . 1 1 72 72 ILE N N 72 127.870 127.870 125.913 1.957 18281 6138 1 8 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.275 -0.395 18281 6139 1 8 . 1 1 72 72 ILE C C 72 175.430 175.430 175.793 -0.363 18281 6140 1 8 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.711 1.689 18281 6141 1 8 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.456 -1.416 18281 6142 1 8 . 1 1 72 72 ILE H H 72 9.320 9.320 8.862 0.458 18281 6143 1 8 . 1 1 73 73 HIS N N 73 127.690 127.690 126.695 0.995 18281 6144 1 8 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.650 0.470 18281 6145 1 8 . 1 1 73 73 HIS C C 73 176.240 176.240 174.968 1.272 18281 6146 1 8 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.753 -0.783 18281 6147 1 8 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.918 0.022 18281 6148 1 8 . 1 1 73 73 HIS H H 73 9.080 9.080 8.309 0.771 18281 6149 1 8 . 1 1 74 74 SER N N 74 110.900 110.900 111.323 -0.423 18281 6150 1 8 . 1 1 74 74 SER HA H 74 4.760 4.760 4.695 0.065 18281 6151 1 8 . 1 1 74 74 SER C C 74 172.620 172.620 172.344 0.276 18281 6152 1 8 . 1 1 74 74 SER CA C 74 57.880 57.880 57.515 0.365 18281 6153 1 8 . 1 1 74 74 SER CB C 74 66.790 66.790 65.545 1.245 18281 6154 1 8 . 1 1 74 74 SER H H 74 8.180 8.180 7.973 0.207 18281 6155 1 8 . 1 1 75 75 ILE N N 75 123.780 123.780 116.307 7.473 18281 6156 1 8 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.915 -0.235 18281 6157 1 8 . 1 1 75 75 ILE C C 75 174.010 174.010 174.436 -0.426 18281 6158 1 8 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.797 2.343 18281 6159 1 8 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.269 -0.959 18281 6160 1 8 . 1 1 75 75 ILE H H 75 8.730 8.730 8.438 0.292 18281 6161 1 8 . 1 1 76 76 ASP N N 76 127.280 127.280 126.109 1.171 18281 6162 1 8 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.055 0.025 18281 6163 1 8 . 1 1 76 76 ASP C C 76 176.680 176.680 176.057 0.623 18281 6164 1 8 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.228 -1.098 18281 6165 1 8 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.370 0.180 18281 6166 1 8 . 1 1 76 76 ASP H H 76 9.110 9.110 9.026 0.084 18281 6167 1 8 . 1 1 77 77 LYS N N 77 122.400 122.400 122.787 -0.387 18281 6168 1 8 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.755 0.225 18281 6169 1 8 . 1 1 77 77 LYS C C 77 175.980 175.980 177.521 -1.541 18281 6170 1 8 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.698 -2.278 18281 6171 1 8 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.475 0.305 18281 6172 1 8 . 1 1 77 77 LYS H H 77 8.890 8.890 8.700 0.190 18281 6173 1 8 . 1 1 78 78 VAL N N 78 119.300 119.300 117.277 2.023 18281 6174 1 8 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.570 0.090 18281 6175 1 8 . 1 1 78 78 VAL C C 78 176.290 176.290 176.271 0.019 18281 6176 1 8 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.826 -0.406 18281 6177 1 8 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.813 0.287 18281 6178 1 8 . 1 1 78 78 VAL H H 78 8.110 8.110 7.964 0.146 18281 6179 1 8 . 1 1 79 79 ASN N N 79 114.400 114.400 114.787 -0.387 18281 6180 1 8 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.601 -0.121 18281 6181 1 8 . 1 1 79 79 ASN C C 79 173.670 173.670 174.936 -1.266 18281 6182 1 8 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.967 -0.427 18281 6183 1 8 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.727 1.363 18281 6184 1 8 . 1 1 79 79 ASN H H 79 7.700 7.700 7.893 -0.193 18281 6185 1 8 . 1 1 80 80 HIS N N 80 115.530 115.530 113.603 1.927 18281 6186 1 8 . 1 1 80 80 HIS C C 80 173.450 173.450 172.783 0.667 18281 6187 1 8 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.961 -0.431 18281 6188 1 8 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.281 0.919 18281 6189 1 8 . 1 1 80 80 HIS H H 80 6.980 6.980 7.155 -0.175 18281 6190 1 8 . 1 1 81 81 THR N N 81 109.600 109.600 113.414 -3.814 18281 6191 1 8 . 1 1 81 81 THR HA H 81 5.730 5.730 5.103 0.627 18281 6192 1 8 . 1 1 81 81 THR C C 81 172.980 172.980 172.693 0.287 18281 6193 1 8 . 1 1 81 81 THR CA C 81 60.190 60.190 61.903 -1.713 18281 6194 1 8 . 1 1 81 81 THR CB C 81 71.740 71.740 71.950 -0.210 18281 6195 1 8 . 1 1 81 81 THR H H 81 7.990 7.990 7.634 0.356 18281 6196 1 8 . 1 1 82 82 TYR N N 82 125.000 125.000 129.643 -4.643 18281 6197 1 8 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.128 0.572 18281 6198 1 8 . 1 1 82 82 TYR C C 82 173.600 173.600 173.488 0.112 18281 6199 1 8 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.715 -1.385 18281 6200 1 8 . 1 1 82 82 TYR CB C 82 42.810 42.810 41.940 0.871 18281 6201 1 8 . 1 1 82 82 TYR H H 82 9.300 9.300 9.379 -0.079 18281 6202 1 8 . 1 1 83 83 SER N N 83 121.820 121.820 123.182 -1.362 18281 6203 1 8 . 1 1 83 83 SER HA H 83 5.670 5.670 4.950 0.720 18281 6204 1 8 . 1 1 83 83 SER C C 83 173.490 173.490 173.084 0.406 18281 6205 1 8 . 1 1 83 83 SER CA C 83 56.420 56.420 56.542 -0.122 18281 6206 1 8 . 1 1 83 83 SER CB C 83 65.520 65.520 65.454 0.066 18281 6207 1 8 . 1 1 83 83 SER H H 83 9.090 9.090 8.142 0.948 18281 6208 1 8 . 1 1 84 84 TYR N N 84 122.970 122.970 119.182 3.788 18281 6209 1 8 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.296 -0.066 18281 6210 1 8 . 1 1 84 84 TYR C C 84 172.530 172.530 173.450 -0.920 18281 6211 1 8 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.766 -0.346 18281 6212 1 8 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.579 -0.629 18281 6213 1 8 . 1 1 84 84 TYR H H 84 8.790 8.790 9.052 -0.262 18281 6214 1 8 . 1 1 85 85 SER N N 85 114.200 114.200 113.321 0.879 18281 6215 1 8 . 1 1 85 85 SER HA H 85 5.700 5.700 5.342 0.358 18281 6216 1 8 . 1 1 85 85 SER C C 85 173.180 173.180 172.732 0.448 18281 6217 1 8 . 1 1 85 85 SER CA C 85 57.510 57.510 57.374 0.136 18281 6218 1 8 . 1 1 85 85 SER CB C 85 65.940 65.940 67.116 -1.176 18281 6219 1 8 . 1 1 85 85 SER H H 85 9.350 9.350 9.577 -0.227 18281 6220 1 8 . 1 1 86 86 LEU N N 86 128.880 128.880 123.728 5.152 18281 6221 1 8 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.985 0.245 18281 6222 1 8 . 1 1 86 86 LEU C C 86 176.230 176.230 176.869 -0.639 18281 6223 1 8 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.973 1.617 18281 6224 1 8 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.511 0.639 18281 6225 1 8 . 1 1 86 86 LEU H H 86 9.900 9.900 9.157 0.743 18281 6226 1 8 . 1 1 87 87 ILE N N 87 115.900 115.900 126.243 -10.343 18281 6227 1 8 . 1 1 87 87 ILE HA H 87 4.930 4.930 3.942 0.988 18281 6228 1 8 . 1 1 87 87 ILE C C 87 176.080 176.080 176.114 -0.034 18281 6229 1 8 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.531 -3.261 18281 6230 1 8 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.843 0.987 18281 6231 1 8 . 1 1 87 87 ILE H H 87 8.180 8.180 9.012 -0.832 18281 6232 1 8 . 1 1 88 88 GLU N N 88 121.920 121.920 115.986 5.934 18281 6233 1 8 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.491 0.019 18281 6234 1 8 . 1 1 88 88 GLU C C 88 174.020 174.020 174.625 -0.605 18281 6235 1 8 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.095 1.945 18281 6236 1 8 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.376 1.594 18281 6237 1 8 . 1 1 88 88 GLU H H 88 7.650 7.650 7.464 0.186 18281 6238 1 8 . 1 1 89 89 GLY N N 89 111.650 111.650 107.173 4.477 18281 6239 1 8 . 1 1 89 89 GLY C C 89 173.800 173.800 173.081 0.719 18281 6240 1 8 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.919 0.031 18281 6241 1 8 . 1 1 89 89 GLY H H 89 8.830 8.830 8.234 0.596 18281 6242 1 8 . 1 1 90 90 ASP N N 90 119.650 119.650 120.537 -0.887 18281 6243 1 8 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.325 0.035 18281 6244 1 8 . 1 1 90 90 ASP C C 90 176.570 176.570 177.575 -1.005 18281 6245 1 8 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.312 0.728 18281 6246 1 8 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.767 0.513 18281 6247 1 8 . 1 1 90 90 ASP H H 90 8.430 8.430 8.482 -0.052 18281 6248 1 8 . 1 1 91 91 ALA N N 91 118.530 118.530 118.841 -0.311 18281 6249 1 8 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.117 0.123 18281 6250 1 8 . 1 1 91 91 ALA C C 91 177.740 177.740 178.172 -0.432 18281 6251 1 8 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.832 -0.622 18281 6252 1 8 . 1 1 91 91 ALA CB C 91 19.310 19.310 19.239 0.071 18281 6253 1 8 . 1 1 91 91 ALA H H 91 7.810 7.810 7.869 -0.059 18281 6254 1 8 . 1 1 92 92 LEU N N 92 117.330 117.330 116.943 0.387 18281 6255 1 8 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.230 0.230 18281 6256 1 8 . 1 1 92 92 LEU C C 92 176.210 176.210 177.023 -0.813 18281 6257 1 8 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.186 -1.166 18281 6258 1 8 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.217 -2.007 18281 6259 1 8 . 1 1 92 92 LEU H H 92 7.600 7.600 7.188 0.412 18281 6260 1 8 . 1 1 93 93 SER N N 93 115.780 115.780 113.698 2.082 18281 6261 1 8 . 1 1 93 93 SER HA H 93 4.620 4.620 3.997 0.623 18281 6262 1 8 . 1 1 93 93 SER C C 93 173.970 173.970 174.839 -0.869 18281 6263 1 8 . 1 1 93 93 SER CA C 93 57.730 57.730 60.185 -2.455 18281 6264 1 8 . 1 1 93 93 SER CB C 93 64.920 64.920 62.972 1.948 18281 6265 1 8 . 1 1 93 93 SER H H 93 7.910 7.910 7.603 0.307 18281 6266 1 8 . 1 1 94 94 GLU N N 94 119.400 119.400 119.741 -0.341 18281 6267 1 8 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.222 -0.062 18281 6268 1 8 . 1 1 94 94 GLU C C 94 176.570 176.570 175.924 0.646 18281 6269 1 8 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.001 1.699 18281 6270 1 8 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.665 -0.455 18281 6271 1 8 . 1 1 94 94 GLU H H 94 8.850 8.850 8.688 0.162 18281 6272 1 8 . 1 1 95 95 ASN N N 95 113.460 113.460 116.284 -2.824 18281 6273 1 8 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.839 -0.039 18281 6274 1 8 . 1 1 95 95 ASN C C 95 174.070 174.070 174.898 -0.828 18281 6275 1 8 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.996 0.124 18281 6276 1 8 . 1 1 95 95 ASN CB C 95 39.350 39.350 40.467 -1.117 18281 6277 1 8 . 1 1 95 95 ASN H H 95 8.290 8.290 7.547 0.743 18281 6278 1 8 . 1 1 96 96 ILE N N 96 120.610 120.610 121.170 -0.560 18281 6279 1 8 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.281 -0.091 18281 6280 1 8 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.996 -0.066 18281 6281 1 8 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.309 -0.439 18281 6282 1 8 . 1 1 96 96 ILE H H 96 7.770 7.770 8.106 -0.336 18281 6283 1 8 . 1 1 97 97 GLU N N 97 126.670 126.670 126.358 0.312 18281 6284 1 8 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.472 0.318 18281 6285 1 8 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.518 0.682 18281 6286 1 8 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.824 2.126 18281 6287 1 8 . 1 1 97 97 GLU H H 97 8.460 8.460 9.042 -0.582 18281 6288 1 8 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.357 0.353 18281 6289 1 8 . 1 1 98 98 LYS C C 98 173.650 173.650 176.430 -2.780 18281 6290 1 8 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.529 -1.559 18281 6291 1 8 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.046 1.754 18281 6292 1 8 . 1 1 99 99 ILE N N 99 120.290 120.290 120.287 0.003 18281 6293 1 8 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.699 0.091 18281 6294 1 8 . 1 1 99 99 ILE C C 99 174.690 174.690 174.849 -0.159 18281 6295 1 8 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.036 0.264 18281 6296 1 8 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.819 0.731 18281 6297 1 8 . 1 1 99 99 ILE H H 99 7.720 7.720 8.463 -0.743 18281 6298 1 8 . 1 1 100 100 ASP N N 100 126.970 126.970 126.930 0.040 18281 6299 1 8 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.954 0.146 18281 6300 1 8 . 1 1 100 100 ASP C C 100 174.490 174.490 174.544 -0.054 18281 6301 1 8 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.167 -0.537 18281 6302 1 8 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.779 1.071 18281 6303 1 8 . 1 1 100 100 ASP H H 100 9.220 9.220 9.000 0.220 18281 6304 1 8 . 1 1 101 101 TYR N N 101 120.640 120.640 122.670 -2.030 18281 6305 1 8 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.994 0.286 18281 6306 1 8 . 1 1 101 101 TYR C C 101 175.740 175.740 175.094 0.646 18281 6307 1 8 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.641 0.339 18281 6308 1 8 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.639 0.001 18281 6309 1 8 . 1 1 101 101 TYR H H 101 9.140 9.140 9.106 0.034 18281 6310 1 8 . 1 1 102 102 GLU N N 102 122.040 122.040 121.822 0.218 18281 6311 1 8 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.848 0.282 18281 6312 1 8 . 1 1 102 102 GLU C C 102 175.360 175.360 175.592 -0.232 18281 6313 1 8 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.302 0.568 18281 6314 1 8 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.995 -0.924 18281 6315 1 8 . 1 1 102 102 GLU H H 102 8.670 8.670 9.266 -0.596 18281 6316 1 8 . 1 1 103 103 THR N N 103 125.840 125.840 120.892 4.948 18281 6317 1 8 . 1 1 103 103 THR HA H 103 5.580 5.580 5.156 0.424 18281 6318 1 8 . 1 1 103 103 THR C C 103 172.780 172.780 173.039 -0.259 18281 6319 1 8 . 1 1 103 103 THR CA C 103 62.150 62.150 62.093 0.057 18281 6320 1 8 . 1 1 103 103 THR CB C 103 71.750 71.750 71.419 0.331 18281 6321 1 8 . 1 1 103 103 THR H H 103 9.550 9.550 9.114 0.436 18281 6322 1 8 . 1 1 104 104 LYS N N 104 126.990 126.990 127.822 -0.832 18281 6323 1 8 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.872 0.368 18281 6324 1 8 . 1 1 104 104 LYS C C 104 174.300 174.300 173.961 0.339 18281 6325 1 8 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.091 0.239 18281 6326 1 8 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.126 -0.186 18281 6327 1 8 . 1 1 104 104 LYS H H 104 9.430 9.430 9.285 0.145 18281 6328 1 8 . 1 1 105 105 LEU N N 105 124.700 124.700 127.465 -2.765 18281 6329 1 8 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.588 0.622 18281 6330 1 8 . 1 1 105 105 LEU C C 105 175.780 175.780 175.952 -0.172 18281 6331 1 8 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.623 0.997 18281 6332 1 8 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.216 0.734 18281 6333 1 8 . 1 1 105 105 LEU H H 105 8.410 8.410 8.204 0.206 18281 6334 1 8 . 1 1 106 106 VAL N N 106 123.290 123.290 123.522 -0.232 18281 6335 1 8 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.315 0.115 18281 6336 1 8 . 1 1 106 106 VAL C C 106 175.560 175.560 174.805 0.755 18281 6337 1 8 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.511 -0.041 18281 6338 1 8 . 1 1 106 106 VAL CB C 106 35.020 35.020 36.126 -1.106 18281 6339 1 8 . 1 1 106 106 VAL H H 106 9.180 9.180 9.218 -0.038 18281 6340 1 8 . 1 1 107 107 SER N N 107 121.800 121.800 119.538 2.262 18281 6341 1 8 . 1 1 107 107 SER HA H 107 4.660 4.660 4.647 0.013 18281 6342 1 8 . 1 1 107 107 SER C C 107 173.600 173.600 173.159 0.441 18281 6343 1 8 . 1 1 107 107 SER CA C 107 59.860 59.860 57.317 2.543 18281 6344 1 8 . 1 1 107 107 SER CB C 107 63.250 63.250 65.164 -1.914 18281 6345 1 8 . 1 1 107 107 SER H H 107 8.910 8.910 8.359 0.551 18281 6346 1 8 . 1 1 108 108 ALA N N 108 129.210 129.210 125.231 3.979 18281 6347 1 8 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.915 -0.285 18281 6348 1 8 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.628 0.992 18281 6349 1 8 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.790 0.010 18281 6350 1 8 . 1 1 108 108 ALA H H 108 8.310 8.310 8.387 -0.077 18281 6351 1 8 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.244 0.176 18281 6352 1 8 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.581 -0.881 18281 6353 1 8 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.512 0.688 18281 6354 1 8 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.450 0.320 18281 6355 1 8 . 1 1 110 110 HIS C C 110 175.760 175.760 176.318 -0.558 18281 6356 1 8 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.555 -1.165 18281 6357 1 8 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.846 -0.436 18281 6358 1 8 . 1 1 111 111 GLY N N 111 108.720 108.720 107.537 1.183 18281 6359 1 8 . 1 1 111 111 GLY C C 111 174.390 174.390 173.908 0.482 18281 6360 1 8 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.153 -0.023 18281 6361 1 8 . 1 1 111 111 GLY H H 111 7.730 7.730 7.757 -0.027 18281 6362 1 8 . 1 1 112 112 GLY N N 112 107.670 107.670 108.735 -1.065 18281 6363 1 8 . 1 1 112 112 GLY C C 112 174.150 174.150 172.952 1.198 18281 6364 1 8 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.073 0.347 18281 6365 1 8 . 1 1 112 112 GLY H H 112 7.600 7.600 7.920 -0.320 18281 6366 1 8 . 1 1 113 113 THR N N 113 119.830 119.830 116.809 3.021 18281 6367 1 8 . 1 1 113 113 THR HA H 113 5.060 5.060 4.625 0.435 18281 6368 1 8 . 1 1 113 113 THR C C 113 173.250 173.250 173.476 -0.226 18281 6369 1 8 . 1 1 113 113 THR CA C 113 62.990 62.990 62.362 0.628 18281 6370 1 8 . 1 1 113 113 THR CB C 113 72.270 72.270 71.068 1.202 18281 6371 1 8 . 1 1 113 113 THR H H 113 9.070 9.070 8.040 1.030 18281 6372 1 8 . 1 1 114 114 ILE N N 114 127.600 127.600 127.099 0.501 18281 6373 1 8 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.462 0.048 18281 6374 1 8 . 1 1 114 114 ILE C C 114 174.370 174.370 174.468 -0.098 18281 6375 1 8 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.868 0.291 18281 6376 1 8 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.509 0.461 18281 6377 1 8 . 1 1 114 114 ILE H H 114 9.490 9.490 9.121 0.369 18281 6378 1 8 . 1 1 115 115 ILE N N 115 129.200 129.200 127.659 1.541 18281 6379 1 8 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.712 -0.212 18281 6380 1 8 . 1 1 115 115 ILE C C 115 175.000 175.000 174.674 0.326 18281 6381 1 8 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.016 1.384 18281 6382 1 8 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.264 -2.264 18281 6383 1 8 . 1 1 115 115 ILE H H 115 9.220 9.220 9.376 -0.156 18281 6384 1 8 . 1 1 116 116 LYS N N 116 127.550 127.550 127.124 0.426 18281 6385 1 8 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.479 -0.309 18281 6386 1 8 . 1 1 116 116 LYS C C 116 176.300 176.300 175.650 0.650 18281 6387 1 8 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.592 0.778 18281 6388 1 8 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.696 -1.116 18281 6389 1 8 . 1 1 116 116 LYS H H 116 9.130 9.130 9.047 0.083 18281 6390 1 8 . 1 1 117 117 THR N N 117 120.940 120.940 122.441 -1.501 18281 6391 1 8 . 1 1 117 117 THR HA H 117 5.730 5.730 5.416 0.314 18281 6392 1 8 . 1 1 117 117 THR C C 117 174.620 174.620 173.896 0.724 18281 6393 1 8 . 1 1 117 117 THR CA C 117 60.990 60.990 61.733 -0.743 18281 6394 1 8 . 1 1 117 117 THR CB C 117 71.750 71.750 71.509 0.241 18281 6395 1 8 . 1 1 117 117 THR H H 117 9.020 9.020 9.069 -0.049 18281 6396 1 8 . 1 1 118 118 THR N N 118 125.750 125.750 123.584 2.166 18281 6397 1 8 . 1 1 118 118 THR HA H 118 5.170 5.170 5.357 -0.187 18281 6398 1 8 . 1 1 118 118 THR C C 118 173.760 173.760 173.869 -0.109 18281 6399 1 8 . 1 1 118 118 THR CA C 118 61.800 61.800 61.074 0.726 18281 6400 1 8 . 1 1 118 118 THR CB C 118 70.720 70.720 70.845 -0.125 18281 6401 1 8 . 1 1 118 118 THR H H 118 9.500 9.500 9.152 0.348 18281 6402 1 8 . 1 1 119 119 SER N N 119 122.250 122.250 120.016 2.234 18281 6403 1 8 . 1 1 119 119 SER HA H 119 5.270 5.270 4.969 0.301 18281 6404 1 8 . 1 1 119 119 SER C C 119 172.960 172.960 172.342 0.618 18281 6405 1 8 . 1 1 119 119 SER CA C 119 55.860 55.860 57.602 -1.742 18281 6406 1 8 . 1 1 119 119 SER CB C 119 66.720 66.720 66.192 0.528 18281 6407 1 8 . 1 1 119 119 SER H H 119 9.410 9.410 9.154 0.256 18281 6408 1 8 . 1 1 120 120 LYS N N 120 124.120 124.120 124.946 -0.826 18281 6409 1 8 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.678 0.562 18281 6410 1 8 . 1 1 120 120 LYS C C 120 174.780 174.780 173.774 1.006 18281 6411 1 8 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.112 -0.282 18281 6412 1 8 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.520 -0.360 18281 6413 1 8 . 1 1 120 120 LYS H H 120 9.150 9.150 8.520 0.630 18281 6414 1 8 . 1 1 121 121 TYR N N 121 126.500 126.500 122.016 4.484 18281 6415 1 8 . 1 1 121 121 TYR CA C 121 58.000 58.000 55.194 2.805 18281 6416 1 8 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.338 -1.138 18281 6417 1 8 . 1 1 121 121 TYR H H 121 9.800 9.800 8.150 1.650 18281 6418 1 8 . 1 1 122 122 HIS C C 122 174.670 174.670 175.040 -0.370 18281 6419 1 8 . 1 1 123 123 THR N N 123 125.750 125.750 110.385 15.365 18281 6420 1 8 . 1 1 123 123 THR HA H 123 5.400 5.400 4.858 0.542 18281 6421 1 8 . 1 1 123 123 THR C C 123 174.460 174.460 174.627 -0.167 18281 6422 1 8 . 1 1 123 123 THR CA C 123 60.230 60.230 59.628 0.602 18281 6423 1 8 . 1 1 123 123 THR CB C 123 71.260 71.260 71.522 -0.262 18281 6424 1 8 . 1 1 123 123 THR H H 123 8.920 8.920 8.425 0.495 18281 6425 1 8 . 1 1 124 124 LYS N N 124 121.170 121.170 121.611 -0.441 18281 6426 1 8 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.541 0.219 18281 6427 1 8 . 1 1 124 124 LYS C C 124 176.450 176.450 177.654 -1.204 18281 6428 1 8 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.604 -3.094 18281 6429 1 8 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.957 0.943 18281 6430 1 8 . 1 1 124 124 LYS H H 124 8.590 8.590 8.380 0.210 18281 6431 1 8 . 1 1 125 125 GLY N N 125 110.070 110.070 105.306 4.764 18281 6432 1 8 . 1 1 125 125 GLY C C 125 173.620 173.620 173.231 0.389 18281 6433 1 8 . 1 1 125 125 GLY CA C 125 45.270 45.270 44.967 0.303 18281 6434 1 8 . 1 1 125 125 GLY H H 125 8.390 8.390 8.081 0.309 18281 6435 1 8 . 1 1 126 126 ASP N N 126 120.070 120.070 118.430 1.640 18281 6436 1 8 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.301 0.369 18281 6437 1 8 . 1 1 126 126 ASP C C 126 175.580 175.580 176.248 -0.668 18281 6438 1 8 . 1 1 126 126 ASP CA C 126 54.290 54.290 54.880 -0.590 18281 6439 1 8 . 1 1 126 126 ASP CB C 126 40.360 40.360 38.907 1.453 18281 6440 1 8 . 1 1 126 126 ASP H H 126 8.440 8.440 8.464 -0.024 18281 6441 1 8 . 1 1 127 127 VAL N N 127 119.620 119.620 118.911 0.709 18281 6442 1 8 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.707 0.533 18281 6443 1 8 . 1 1 127 127 VAL C C 127 174.610 174.610 175.521 -0.911 18281 6444 1 8 . 1 1 127 127 VAL CA C 127 61.230 61.230 64.067 -2.837 18281 6445 1 8 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.571 1.679 18281 6446 1 8 . 1 1 127 127 VAL H H 127 7.620 7.620 8.506 -0.886 18281 6447 1 8 . 1 1 128 128 GLU N N 128 125.030 125.030 115.985 9.045 18281 6448 1 8 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.128 0.002 18281 6449 1 8 . 1 1 128 128 GLU C C 128 175.680 175.680 174.704 0.976 18281 6450 1 8 . 1 1 128 128 GLU CA C 128 55.540 55.540 57.154 -1.614 18281 6451 1 8 . 1 1 128 128 GLU CB C 128 30.790 30.790 29.800 0.990 18281 6452 1 8 . 1 1 128 128 GLU H H 128 8.330 8.330 8.000 0.330 18281 6453 1 8 . 1 1 129 129 ILE N N 129 124.070 124.070 122.673 1.397 18281 6454 1 8 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.378 -0.418 18281 6455 1 8 . 1 1 129 129 ILE C C 129 175.960 175.960 174.823 1.137 18281 6456 1 8 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.045 0.305 18281 6457 1 8 . 1 1 129 129 ILE CB C 129 36.680 36.680 41.597 -4.917 18281 6458 1 8 . 1 1 129 129 ILE H H 129 7.380 7.380 8.541 -1.161 18281 6459 1 8 . 1 1 130 130 LYS N N 130 127.800 127.800 123.664 4.136 18281 6460 1 8 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.377 -0.097 18281 6461 1 8 . 1 1 130 130 LYS C C 130 177.660 177.660 177.165 0.495 18281 6462 1 8 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.886 -0.036 18281 6463 1 8 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.444 0.366 18281 6464 1 8 . 1 1 130 130 LYS H H 130 8.790 8.790 8.617 0.173 18281 6465 1 8 . 1 1 131 131 GLU N N 131 125.060 125.060 126.090 -1.030 18281 6466 1 8 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.810 -0.000 18281 6467 1 8 . 1 1 131 131 GLU C C 131 178.630 178.630 178.405 0.225 18281 6468 1 8 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.016 -0.506 18281 6469 1 8 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.359 -0.059 18281 6470 1 8 . 1 1 131 131 GLU H H 131 8.880 8.880 9.096 -0.216 18281 6471 1 8 . 1 1 132 132 GLU N N 132 117.220 117.220 117.807 -0.587 18281 6472 1 8 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.053 -0.073 18281 6473 1 8 . 1 1 132 132 GLU C C 132 178.630 178.630 179.237 -0.607 18281 6474 1 8 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.018 0.592 18281 6475 1 8 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.675 0.305 18281 6476 1 8 . 1 1 132 132 GLU H H 132 9.200 9.200 8.854 0.346 18281 6477 1 8 . 1 1 133 133 HIS N N 133 119.810 119.810 119.080 0.730 18281 6478 1 8 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.272 0.198 18281 6479 1 8 . 1 1 133 133 HIS C C 133 178.430 178.430 177.957 0.473 18281 6480 1 8 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.340 0.790 18281 6481 1 8 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.886 1.434 18281 6482 1 8 . 1 1 133 133 HIS H H 133 7.500 7.500 7.873 -0.373 18281 6483 1 8 . 1 1 134 134 VAL N N 134 120.370 120.370 120.012 0.358 18281 6484 1 8 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.534 0.116 18281 6485 1 8 . 1 1 134 134 VAL C C 134 179.170 179.170 177.369 1.801 18281 6486 1 8 . 1 1 134 134 VAL CA C 134 65.180 65.180 67.332 -2.152 18281 6487 1 8 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.482 0.228 18281 6488 1 8 . 1 1 134 134 VAL H H 134 7.290 7.290 7.782 -0.492 18281 6489 1 8 . 1 1 135 135 LYS N N 135 121.310 121.310 119.871 1.439 18281 6490 1 8 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.849 0.111 18281 6491 1 8 . 1 1 135 135 LYS C C 135 178.310 178.310 178.390 -0.080 18281 6492 1 8 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.122 0.208 18281 6493 1 8 . 1 1 135 135 LYS CB C 135 32.180 32.180 31.999 0.181 18281 6494 1 8 . 1 1 135 135 LYS H H 135 8.310 8.310 8.311 -0.001 18281 6495 1 8 . 1 1 136 136 ALA N N 136 121.150 121.150 120.152 0.998 18281 6496 1 8 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.148 0.082 18281 6497 1 8 . 1 1 136 136 ALA C C 136 180.930 180.930 179.499 1.431 18281 6498 1 8 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.972 0.048 18281 6499 1 8 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.304 -0.554 18281 6500 1 8 . 1 1 136 136 ALA H H 136 7.950 7.950 7.702 0.248 18281 6501 1 8 . 1 1 137 137 GLY N N 137 105.640 105.640 107.134 -1.494 18281 6502 1 8 . 1 1 137 137 GLY C C 137 177.000 177.000 176.000 1.000 18281 6503 1 8 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.044 0.117 18281 6504 1 8 . 1 1 137 137 GLY H H 137 7.930 7.930 8.242 -0.312 18281 6505 1 8 . 1 1 138 138 LYS N N 138 124.210 124.210 122.500 1.710 18281 6506 1 8 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.995 0.235 18281 6507 1 8 . 1 1 138 138 LYS C C 138 178.860 178.860 178.695 0.165 18281 6508 1 8 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.818 -0.028 18281 6509 1 8 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.497 0.173 18281 6510 1 8 . 1 1 138 138 LYS H H 138 7.960 7.960 8.066 -0.106 18281 6511 1 8 . 1 1 139 139 GLU N N 139 119.720 119.720 118.764 0.956 18281 6512 1 8 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.737 0.403 18281 6513 1 8 . 1 1 139 139 GLU C C 139 179.710 179.710 178.381 1.329 18281 6514 1 8 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.204 -0.024 18281 6515 1 8 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.313 -0.013 18281 6516 1 8 . 1 1 139 139 GLU H H 139 8.370 8.370 7.714 0.656 18281 6517 1 8 . 1 1 140 140 LYS N N 140 120.270 120.270 121.066 -0.796 18281 6518 1 8 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.067 0.043 18281 6519 1 8 . 1 1 140 140 LYS C C 140 179.210 179.210 178.619 0.591 18281 6520 1 8 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.624 -0.014 18281 6521 1 8 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.543 -0.163 18281 6522 1 8 . 1 1 140 140 LYS H H 140 8.140 8.140 8.307 -0.167 18281 6523 1 8 . 1 1 141 141 ALA N N 141 121.910 121.910 120.904 1.006 18281 6524 1 8 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.077 -0.037 18281 6525 1 8 . 1 1 141 141 ALA C C 141 179.530 179.530 179.579 -0.049 18281 6526 1 8 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.031 -0.010 18281 6527 1 8 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.307 0.073 18281 6528 1 8 . 1 1 141 141 ALA H H 141 7.730 7.730 7.998 -0.268 18281 6529 1 8 . 1 1 142 142 ALA N N 142 120.440 120.440 121.421 -0.981 18281 6530 1 8 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.018 -0.138 18281 6531 1 8 . 1 1 142 142 ALA C C 142 180.080 180.080 179.267 0.813 18281 6532 1 8 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.934 -0.034 18281 6533 1 8 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.383 -0.153 18281 6534 1 8 . 1 1 142 142 ALA H H 142 8.280 8.280 8.020 0.260 18281 6535 1 8 . 1 1 143 143 HIS N N 143 118.280 118.280 118.256 0.024 18281 6536 1 8 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.144 0.206 18281 6537 1 8 . 1 1 143 143 HIS C C 143 177.350 177.350 177.916 -0.566 18281 6538 1 8 . 1 1 143 143 HIS CA C 143 59.430 59.430 58.861 0.569 18281 6539 1 8 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.762 0.988 18281 6540 1 8 . 1 1 143 143 HIS H H 143 8.030 8.030 8.133 -0.103 18281 6541 1 8 . 1 1 144 144 LEU N N 144 118.820 118.820 119.792 -0.972 18281 6542 1 8 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.797 0.113 18281 6543 1 8 . 1 1 144 144 LEU C C 144 179.040 179.040 178.718 0.322 18281 6544 1 8 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.920 0.160 18281 6545 1 8 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.431 -0.471 18281 6546 1 8 . 1 1 144 144 LEU H H 144 7.700 7.700 7.859 -0.159 18281 6547 1 8 . 1 1 145 145 PHE N N 145 116.920 116.920 117.408 -0.488 18281 6548 1 8 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.040 -0.040 18281 6549 1 8 . 1 1 145 145 PHE C C 145 177.900 177.900 177.932 -0.032 18281 6550 1 8 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.016 0.134 18281 6551 1 8 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.750 -0.000 18281 6552 1 8 . 1 1 145 145 PHE H H 145 8.100 8.100 7.600 0.500 18281 6553 1 8 . 1 1 146 146 LYS N N 146 119.710 119.710 120.552 -0.842 18281 6554 1 8 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.132 -0.002 18281 6555 1 8 . 1 1 146 146 LYS C C 146 177.750 177.750 178.900 -1.150 18281 6556 1 8 . 1 1 146 146 LYS CA C 146 58.900 58.900 58.810 0.090 18281 6557 1 8 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.047 0.233 18281 6558 1 8 . 1 1 146 146 LYS H H 146 8.040 8.040 7.631 0.409 18281 6559 1 8 . 1 1 147 147 LEU N N 147 118.970 118.970 120.093 -1.123 18281 6560 1 8 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.979 0.021 18281 6561 1 8 . 1 1 147 147 LEU C C 147 180.460 180.460 179.215 1.245 18281 6562 1 8 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.840 -0.370 18281 6563 1 8 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.176 1.224 18281 6564 1 8 . 1 1 147 147 LEU H H 147 7.960 7.960 7.694 0.266 18281 6565 1 8 . 1 1 148 148 ILE N N 148 121.410 121.410 119.753 1.657 18281 6566 1 8 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.809 -0.269 18281 6567 1 8 . 1 1 148 148 ILE C C 148 177.030 177.030 178.088 -1.058 18281 6568 1 8 . 1 1 148 148 ILE CA C 148 65.400 65.400 66.301 -0.901 18281 6569 1 8 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.655 0.035 18281 6570 1 8 . 1 1 148 148 ILE H H 148 8.200 8.200 8.259 -0.059 18281 6571 1 8 . 1 1 149 149 GLU N N 149 120.450 120.450 119.857 0.593 18281 6572 1 8 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.999 -0.319 18281 6573 1 8 . 1 1 149 149 GLU C C 149 178.540 178.540 179.160 -0.620 18281 6574 1 8 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.778 0.542 18281 6575 1 8 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.491 -0.660 18281 6576 1 8 . 1 1 149 149 GLU H H 149 8.680 8.680 8.284 0.396 18281 6577 1 8 . 1 1 150 150 GLY N N 150 104.450 104.450 106.214 -1.764 18281 6578 1 8 . 1 1 150 150 GLY C C 150 175.670 175.670 176.323 -0.653 18281 6579 1 8 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.558 0.692 18281 6580 1 8 . 1 1 150 150 GLY H H 150 8.180 8.180 7.577 0.603 18281 6581 1 8 . 1 1 151 151 TYR N N 151 122.120 122.120 122.269 -0.149 18281 6582 1 8 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.292 0.088 18281 6583 1 8 . 1 1 151 151 TYR C C 151 179.360 179.360 178.013 1.347 18281 6584 1 8 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.264 1.056 18281 6585 1 8 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.343 -1.954 18281 6586 1 8 . 1 1 151 151 TYR H H 151 7.910 7.910 7.622 0.288 18281 6587 1 8 . 1 1 152 152 LEU N N 152 120.020 120.020 119.533 0.487 18281 6588 1 8 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.176 -0.146 18281 6589 1 8 . 1 1 152 152 LEU C C 152 180.320 180.320 178.868 1.452 18281 6590 1 8 . 1 1 152 152 LEU CA C 152 57.760 57.760 58.041 -0.281 18281 6591 1 8 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.816 -0.816 18281 6592 1 8 . 1 1 152 152 LEU H H 152 8.630 8.630 8.437 0.193 18281 6593 1 8 . 1 1 153 153 LYS N N 153 119.730 119.730 118.413 1.317 18281 6594 1 8 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.027 -0.057 18281 6595 1 8 . 1 1 153 153 LYS C C 153 178.150 178.150 177.918 0.232 18281 6596 1 8 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.573 0.827 18281 6597 1 8 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.269 0.081 18281 6598 1 8 . 1 1 153 153 LYS H H 153 8.260 8.260 8.146 0.114 18281 6599 1 8 . 1 1 154 154 ASP N N 154 117.020 117.020 115.944 1.076 18281 6600 1 8 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.635 -0.635 18281 6601 1 8 . 1 1 154 154 ASP C C 154 175.660 175.660 176.485 -0.825 18281 6602 1 8 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.182 -0.152 18281 6603 1 8 . 1 1 154 154 ASP H H 154 7.560 7.560 7.780 -0.220 18281 6604 1 8 . 1 1 155 155 HIS N N 155 117.160 117.160 118.217 -1.057 18281 6605 1 8 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.412 0.488 18281 6606 1 8 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.505 -1.355 18281 6607 1 8 . 1 1 155 155 HIS CB C 155 27.990 27.990 28.859 -0.869 18281 6608 1 8 . 1 1 155 155 HIS H H 155 7.430 7.430 7.964 -0.534 18281 6609 1 9 . 1 1 3 3 VAL N N 3 119.910 119.910 121.286 -1.376 18281 6610 1 9 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.276 0.644 18281 6611 1 9 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.704 -0.684 18281 6612 1 9 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.980 1.150 18281 6613 1 9 . 1 1 3 3 VAL H H 3 7.630 7.630 7.529 0.101 18281 6614 1 9 . 1 1 4 4 TYR N N 4 119.930 119.930 124.588 -4.658 18281 6615 1 9 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.803 -0.133 18281 6616 1 9 . 1 1 4 4 TYR C C 4 174.670 174.670 175.585 -0.915 18281 6617 1 9 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.902 0.568 18281 6618 1 9 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.520 0.750 18281 6619 1 9 . 1 1 4 4 TYR H H 4 8.660 8.660 8.546 0.114 18281 6620 1 9 . 1 1 5 5 THR N N 5 119.930 119.930 120.006 -0.076 18281 6621 1 9 . 1 1 5 5 THR HA H 5 5.290 5.290 4.964 0.326 18281 6622 1 9 . 1 1 5 5 THR C C 5 173.180 173.180 173.499 -0.319 18281 6623 1 9 . 1 1 5 5 THR CA C 5 61.780 61.780 61.840 -0.061 18281 6624 1 9 . 1 1 5 5 THR CB C 5 70.360 70.360 69.897 0.463 18281 6625 1 9 . 1 1 5 5 THR H H 5 8.230 8.230 8.577 -0.347 18281 6626 1 9 . 1 1 6 6 TYR N N 6 125.060 125.060 127.253 -2.193 18281 6627 1 9 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.780 0.510 18281 6628 1 9 . 1 1 6 6 TYR C C 6 174.380 174.380 173.383 0.997 18281 6629 1 9 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.914 0.196 18281 6630 1 9 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.930 -0.080 18281 6631 1 9 . 1 1 6 6 TYR H H 6 9.210 9.210 8.554 0.656 18281 6632 1 9 . 1 1 7 7 GLU N N 7 122.360 122.360 127.769 -5.409 18281 6633 1 9 . 1 1 7 7 GLU HA H 7 5.360 5.360 5.016 0.344 18281 6634 1 9 . 1 1 7 7 GLU C C 7 175.390 175.390 174.476 0.914 18281 6635 1 9 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.298 0.682 18281 6636 1 9 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.517 0.533 18281 6637 1 9 . 1 1 7 7 GLU H H 7 8.830 8.830 8.038 0.792 18281 6638 1 9 . 1 1 8 8 ASN N N 8 119.960 119.960 123.829 -3.869 18281 6639 1 9 . 1 1 8 8 ASN HA H 8 5.100 5.100 4.990 0.110 18281 6640 1 9 . 1 1 8 8 ASN CA C 8 52.620 52.620 51.843 0.777 18281 6641 1 9 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.874 1.335 18281 6642 1 9 . 1 1 8 8 ASN H H 8 8.800 8.800 9.023 -0.223 18281 6643 1 9 . 1 1 9 9 GLU N N 9 121.420 121.420 123.785 -2.365 18281 6644 1 9 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.772 0.828 18281 6645 1 9 . 1 1 9 9 GLU C C 9 174.590 174.590 174.933 -0.343 18281 6646 1 9 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.195 -0.425 18281 6647 1 9 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.332 1.418 18281 6648 1 9 . 1 1 9 9 GLU H H 9 8.330 8.330 8.662 -0.332 18281 6649 1 9 . 1 1 10 10 PHE N N 10 121.240 121.240 123.066 -1.826 18281 6650 1 9 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.823 0.197 18281 6651 1 9 . 1 1 10 10 PHE C C 10 173.880 173.880 172.947 0.933 18281 6652 1 9 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.818 -2.268 18281 6653 1 9 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.347 -1.877 18281 6654 1 9 . 1 1 10 10 PHE H H 10 8.760 8.760 8.553 0.207 18281 6655 1 9 . 1 1 11 11 THR N N 11 113.110 113.110 117.131 -4.021 18281 6656 1 9 . 1 1 11 11 THR HA H 11 5.170 5.170 5.219 -0.049 18281 6657 1 9 . 1 1 11 11 THR C C 11 173.530 173.530 172.956 0.574 18281 6658 1 9 . 1 1 11 11 THR CA C 11 60.940 60.940 59.451 1.489 18281 6659 1 9 . 1 1 11 11 THR CB C 11 71.260 71.260 70.698 0.562 18281 6660 1 9 . 1 1 11 11 THR H H 11 8.470 8.470 7.275 1.195 18281 6661 1 9 . 1 1 12 12 SER N N 12 115.490 115.490 117.515 -2.025 18281 6662 1 9 . 1 1 12 12 SER C C 12 173.530 173.530 172.562 0.968 18281 6663 1 9 . 1 1 12 12 SER CA C 12 56.460 56.460 56.877 -0.417 18281 6664 1 9 . 1 1 12 12 SER CB C 12 66.320 66.320 66.400 -0.080 18281 6665 1 9 . 1 1 12 12 SER H H 12 8.870 8.870 9.008 -0.138 18281 6666 1 9 . 1 1 13 13 ASP N N 13 126.650 126.650 121.415 5.235 18281 6667 1 9 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.723 0.017 18281 6668 1 9 . 1 1 13 13 ASP C C 13 174.520 174.520 176.611 -2.091 18281 6669 1 9 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.996 1.034 18281 6670 1 9 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.785 -0.785 18281 6671 1 9 . 1 1 13 13 ASP H H 13 9.060 9.060 8.392 0.668 18281 6672 1 9 . 1 1 14 14 ILE N N 14 123.580 123.580 115.133 8.447 18281 6673 1 9 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.985 0.365 18281 6674 1 9 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.486 -4.096 18281 6675 1 9 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.346 -0.006 18281 6676 1 9 . 1 1 14 14 ILE H H 14 8.470 8.470 8.232 0.238 18281 6677 1 9 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.625 -0.185 18281 6678 1 9 . 1 1 15 15 PRO C C 15 177.130 177.130 177.772 -0.642 18281 6679 1 9 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.635 0.435 18281 6680 1 9 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.515 0.935 18281 6681 1 9 . 1 1 16 16 ALA N N 16 126.780 126.780 126.365 0.415 18281 6682 1 9 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.021 -0.021 18281 6683 1 9 . 1 1 16 16 ALA CA C 16 57.100 57.100 56.973 0.127 18281 6684 1 9 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.101 0.199 18281 6685 1 9 . 1 1 16 16 ALA H H 16 8.570 8.570 8.481 0.089 18281 6686 1 9 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.446 -0.546 18281 6687 1 9 . 1 1 17 17 PRO C C 17 179.610 179.610 179.080 0.530 18281 6688 1 9 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.508 0.502 18281 6689 1 9 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.422 -0.522 18281 6690 1 9 . 1 1 18 18 LYS N N 18 116.630 116.630 118.388 -1.758 18281 6691 1 9 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.201 -0.061 18281 6692 1 9 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.614 -0.344 18281 6693 1 9 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.948 0.371 18281 6694 1 9 . 1 1 18 18 LYS H H 18 6.710 6.710 7.566 -0.856 18281 6695 1 9 . 1 1 19 19 LEU N N 19 118.930 118.930 120.564 -1.634 18281 6696 1 9 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.198 -0.358 18281 6697 1 9 . 1 1 19 19 LEU C C 19 178.380 178.380 178.112 0.268 18281 6698 1 9 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.478 -0.048 18281 6699 1 9 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.206 -0.117 18281 6700 1 9 . 1 1 19 19 LEU H H 19 7.950 7.950 8.056 -0.106 18281 6701 1 9 . 1 1 20 20 PHE N N 20 118.660 118.660 120.287 -1.627 18281 6702 1 9 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.210 -0.360 18281 6703 1 9 . 1 1 20 20 PHE C C 20 177.680 177.680 177.097 0.583 18281 6704 1 9 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.706 1.174 18281 6705 1 9 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.404 0.016 18281 6706 1 9 . 1 1 20 20 PHE H H 20 9.040 9.040 8.419 0.621 18281 6707 1 9 . 1 1 21 21 LYS N N 21 118.430 118.430 120.017 -1.587 18281 6708 1 9 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.988 -0.218 18281 6709 1 9 . 1 1 21 21 LYS C C 21 176.400 176.400 178.425 -2.025 18281 6710 1 9 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.841 0.319 18281 6711 1 9 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.542 0.458 18281 6712 1 9 . 1 1 21 21 LYS H H 21 7.630 7.630 8.296 -0.666 18281 6713 1 9 . 1 1 22 22 ALA N N 22 118.710 118.710 120.038 -1.328 18281 6714 1 9 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.392 0.378 18281 6715 1 9 . 1 1 22 22 ALA C C 22 175.450 175.450 178.687 -3.237 18281 6716 1 9 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.129 1.411 18281 6717 1 9 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.707 1.493 18281 6718 1 9 . 1 1 22 22 ALA H H 22 7.390 7.390 7.440 -0.050 18281 6719 1 9 . 1 1 23 23 PHE N N 23 109.720 109.720 116.737 -7.017 18281 6720 1 9 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.225 0.015 18281 6721 1 9 . 1 1 23 23 PHE C C 23 174.130 174.130 175.202 -1.072 18281 6722 1 9 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.182 -1.862 18281 6723 1 9 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.104 0.336 18281 6724 1 9 . 1 1 23 23 PHE H H 23 8.400 8.400 7.746 0.654 18281 6725 1 9 . 1 1 24 24 VAL N N 24 113.250 113.250 117.729 -4.479 18281 6726 1 9 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.316 0.004 18281 6727 1 9 . 1 1 24 24 VAL C C 24 177.660 177.660 177.600 0.060 18281 6728 1 9 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.194 0.306 18281 6729 1 9 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.029 -1.149 18281 6730 1 9 . 1 1 24 24 VAL H H 24 7.220 7.220 7.421 -0.201 18281 6731 1 9 . 1 1 25 25 LEU N N 25 116.250 116.250 121.196 -4.946 18281 6732 1 9 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.933 -0.043 18281 6733 1 9 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.962 -0.052 18281 6734 1 9 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.503 -0.503 18281 6735 1 9 . 1 1 25 25 LEU H H 25 7.180 7.180 7.617 -0.437 18281 6736 1 9 . 1 1 26 26 ASP N N 26 117.160 117.160 115.776 1.384 18281 6737 1 9 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.640 0.660 18281 6738 1 9 . 1 1 26 26 ASP C C 26 177.300 177.300 176.209 1.091 18281 6739 1 9 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.868 -0.698 18281 6740 1 9 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.682 3.238 18281 6741 1 9 . 1 1 26 26 ASP H H 26 8.070 8.070 7.680 0.390 18281 6742 1 9 . 1 1 27 27 ALA N N 27 123.040 123.040 122.202 0.838 18281 6743 1 9 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.777 -0.017 18281 6744 1 9 . 1 1 27 27 ALA C C 27 178.900 178.900 178.436 0.464 18281 6745 1 9 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.394 1.646 18281 6746 1 9 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.469 0.961 18281 6747 1 9 . 1 1 27 27 ALA H H 27 6.360 6.360 7.448 -1.088 18281 6748 1 9 . 1 1 28 28 ASP N N 28 115.060 115.060 118.163 -3.103 18281 6749 1 9 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.361 -0.381 18281 6750 1 9 . 1 1 28 28 ASP C C 28 175.850 175.850 176.721 -0.871 18281 6751 1 9 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.583 -1.043 18281 6752 1 9 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.555 -0.915 18281 6753 1 9 . 1 1 28 28 ASP H H 28 8.290 8.290 8.072 0.218 18281 6754 1 9 . 1 1 29 29 ASN N N 29 113.110 113.110 116.219 -3.109 18281 6755 1 9 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.692 0.037 18281 6756 1 9 . 1 1 29 29 ASN C C 29 176.430 176.430 176.813 -0.383 18281 6757 1 9 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.614 -1.004 18281 6758 1 9 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.265 0.995 18281 6759 1 9 . 1 1 29 29 ASN H H 29 7.360 7.360 7.781 -0.421 18281 6760 1 9 . 1 1 30 30 LEU N N 30 120.630 120.630 121.845 -1.215 18281 6761 1 9 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.989 0.031 18281 6762 1 9 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.758 0.042 18281 6763 1 9 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.601 1.179 18281 6764 1 9 . 1 1 30 30 LEU H H 30 8.320 8.320 8.585 -0.265 18281 6765 1 9 . 1 1 31 31 ILE N N 31 116.170 116.170 119.918 -3.748 18281 6766 1 9 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.769 -0.119 18281 6767 1 9 . 1 1 31 31 ILE CA C 31 66.800 66.800 65.838 0.963 18281 6768 1 9 . 1 1 31 31 ILE CB C 31 33.910 33.910 34.976 -1.066 18281 6769 1 9 . 1 1 31 31 ILE H H 31 8.140 8.140 7.313 0.827 18281 6770 1 9 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.315 0.205 18281 6771 1 9 . 1 1 32 32 PRO C C 32 177.680 177.680 177.797 -0.117 18281 6772 1 9 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.398 1.122 18281 6773 1 9 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.243 0.277 18281 6774 1 9 . 1 1 33 33 LYS N N 33 112.410 112.410 118.690 -6.280 18281 6775 1 9 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.085 0.065 18281 6776 1 9 . 1 1 33 33 LYS C C 33 178.220 178.220 178.755 -0.535 18281 6777 1 9 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.134 0.156 18281 6778 1 9 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.106 0.804 18281 6779 1 9 . 1 1 33 33 LYS H H 33 6.880 6.880 7.578 -0.698 18281 6780 1 9 . 1 1 34 34 ILE N N 34 112.260 112.260 116.995 -4.735 18281 6781 1 9 . 1 1 34 34 ILE HA H 34 4.320 4.320 4.008 0.312 18281 6782 1 9 . 1 1 34 34 ILE C C 34 175.920 175.920 176.469 -0.549 18281 6783 1 9 . 1 1 34 34 ILE CA C 34 61.820 61.820 64.081 -2.261 18281 6784 1 9 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.739 0.611 18281 6785 1 9 . 1 1 34 34 ILE H H 34 7.560 7.560 7.566 -0.006 18281 6786 1 9 . 1 1 35 35 ALA N N 35 124.420 124.420 120.928 3.492 18281 6787 1 9 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.819 0.151 18281 6788 1 9 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.915 0.445 18281 6789 1 9 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.351 -0.091 18281 6790 1 9 . 1 1 35 35 ALA H H 35 8.820 8.820 7.326 1.494 18281 6791 1 9 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.355 0.375 18281 6792 1 9 . 1 1 36 36 PRO C C 36 177.890 177.890 177.508 0.382 18281 6793 1 9 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.660 -0.420 18281 6794 1 9 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.361 -0.681 18281 6795 1 9 . 1 1 37 37 GLN N N 37 115.580 115.580 116.543 -0.963 18281 6796 1 9 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.154 0.096 18281 6797 1 9 . 1 1 37 37 GLN C C 37 177.740 177.740 177.162 0.578 18281 6798 1 9 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.749 -0.439 18281 6799 1 9 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.032 -0.512 18281 6800 1 9 . 1 1 37 37 GLN H H 37 8.660 8.660 8.534 0.126 18281 6801 1 9 . 1 1 38 38 ALA N N 38 123.250 123.250 120.415 2.835 18281 6802 1 9 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.377 0.013 18281 6803 1 9 . 1 1 38 38 ALA C C 38 177.850 177.850 177.046 0.804 18281 6804 1 9 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.551 -0.051 18281 6805 1 9 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.376 0.454 18281 6806 1 9 . 1 1 38 38 ALA H H 38 8.030 8.030 7.443 0.587 18281 6807 1 9 . 1 1 39 39 VAL N N 39 117.330 117.330 114.440 2.890 18281 6808 1 9 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.333 -0.203 18281 6809 1 9 . 1 1 39 39 VAL C C 39 172.750 172.750 175.170 -2.420 18281 6810 1 9 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.710 1.740 18281 6811 1 9 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.788 -1.158 18281 6812 1 9 . 1 1 39 39 VAL H H 39 7.660 7.660 7.287 0.373 18281 6813 1 9 . 1 1 40 40 LYS N N 40 125.270 125.270 126.806 -1.536 18281 6814 1 9 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.241 0.219 18281 6815 1 9 . 1 1 40 40 LYS C C 40 177.240 177.240 176.595 0.645 18281 6816 1 9 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.391 -0.940 18281 6817 1 9 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.513 0.487 18281 6818 1 9 . 1 1 40 40 LYS H H 40 8.910 8.910 9.214 -0.304 18281 6819 1 9 . 1 1 41 41 CYS N N 41 112.210 112.210 115.250 -3.040 18281 6820 1 9 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.484 0.076 18281 6821 1 9 . 1 1 41 41 CYS C C 41 170.900 170.900 172.435 -1.535 18281 6822 1 9 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.920 -1.900 18281 6823 1 9 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.168 -0.368 18281 6824 1 9 . 1 1 41 41 CYS H H 41 7.680 7.680 7.675 0.005 18281 6825 1 9 . 1 1 42 42 ALA N N 42 125.620 125.620 127.295 -1.675 18281 6826 1 9 . 1 1 42 42 ALA HA H 42 5.220 5.220 5.027 0.193 18281 6827 1 9 . 1 1 42 42 ALA C C 42 175.690 175.690 176.144 -0.454 18281 6828 1 9 . 1 1 42 42 ALA CA C 42 50.980 50.980 50.762 0.218 18281 6829 1 9 . 1 1 42 42 ALA CB C 42 22.000 22.000 20.326 1.674 18281 6830 1 9 . 1 1 42 42 ALA H H 42 8.700 8.700 8.585 0.115 18281 6831 1 9 . 1 1 43 43 GLU N N 43 120.730 120.730 122.960 -2.230 18281 6832 1 9 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.751 -0.091 18281 6833 1 9 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.671 -0.301 18281 6834 1 9 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.802 0.318 18281 6835 1 9 . 1 1 43 43 GLU H H 43 8.810 8.810 8.431 0.379 18281 6836 1 9 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.456 -0.416 18281 6837 1 9 . 1 1 44 44 ILE C C 44 176.190 176.190 176.052 0.138 18281 6838 1 9 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.856 1.134 18281 6839 1 9 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.451 -0.671 18281 6840 1 9 . 1 1 45 45 LEU N N 45 129.030 129.030 128.248 0.782 18281 6841 1 9 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.232 0.218 18281 6842 1 9 . 1 1 45 45 LEU C C 45 177.270 177.270 177.370 -0.100 18281 6843 1 9 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.259 -1.249 18281 6844 1 9 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.591 -0.111 18281 6845 1 9 . 1 1 45 45 LEU H H 45 9.090 9.090 9.134 -0.044 18281 6846 1 9 . 1 1 46 46 GLU N N 46 116.640 116.640 113.869 2.771 18281 6847 1 9 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.497 0.113 18281 6848 1 9 . 1 1 46 46 GLU C C 46 174.840 174.840 175.981 -1.141 18281 6849 1 9 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.630 -0.020 18281 6850 1 9 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.192 0.378 18281 6851 1 9 . 1 1 46 46 GLU H H 46 7.700 7.700 7.541 0.159 18281 6852 1 9 . 1 1 47 47 GLY N N 47 110.230 110.230 110.014 0.216 18281 6853 1 9 . 1 1 47 47 GLY C C 47 173.630 173.630 173.880 -0.250 18281 6854 1 9 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.853 -1.173 18281 6855 1 9 . 1 1 47 47 GLY H H 47 8.620 8.620 8.790 -0.170 18281 6856 1 9 . 1 1 48 48 ASP N N 48 115.220 115.220 120.811 -5.591 18281 6857 1 9 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.347 0.423 18281 6858 1 9 . 1 1 48 48 ASP C C 48 177.340 177.340 175.900 1.440 18281 6859 1 9 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.865 -1.945 18281 6860 1 9 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.303 2.377 18281 6861 1 9 . 1 1 48 48 ASP H H 48 7.960 7.960 8.440 -0.480 18281 6862 1 9 . 1 1 49 49 GLY N N 49 110.900 110.900 101.557 9.343 18281 6863 1 9 . 1 1 49 49 GLY C C 49 174.750 174.750 174.323 0.427 18281 6864 1 9 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.169 0.141 18281 6865 1 9 . 1 1 49 49 GLY H H 49 8.750 8.750 8.444 0.306 18281 6866 1 9 . 1 1 50 50 GLY N N 50 107.020 107.020 108.451 -1.431 18281 6867 1 9 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.712 0.888 18281 6868 1 9 . 1 1 50 50 GLY H H 50 8.300 8.300 8.252 0.048 18281 6869 1 9 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.177 -0.217 18281 6870 1 9 . 1 1 51 51 PRO C C 51 176.780 176.780 176.926 -0.146 18281 6871 1 9 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.492 1.508 18281 6872 1 9 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.670 0.200 18281 6873 1 9 . 1 1 52 52 GLY N N 52 114.320 114.320 114.522 -0.202 18281 6874 1 9 . 1 1 52 52 GLY C C 52 174.170 174.170 174.384 -0.214 18281 6875 1 9 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.477 -0.797 18281 6876 1 9 . 1 1 52 52 GLY H H 52 9.240 9.240 8.902 0.338 18281 6877 1 9 . 1 1 53 53 THR N N 53 118.900 118.900 115.916 2.984 18281 6878 1 9 . 1 1 53 53 THR HA H 53 4.660 4.660 4.492 0.168 18281 6879 1 9 . 1 1 53 53 THR C C 53 173.510 173.510 173.800 -0.290 18281 6880 1 9 . 1 1 53 53 THR CA C 53 64.580 64.580 64.231 0.349 18281 6881 1 9 . 1 1 53 53 THR CB C 53 70.070 70.070 70.193 -0.123 18281 6882 1 9 . 1 1 53 53 THR H H 53 7.910 7.910 7.411 0.499 18281 6883 1 9 . 1 1 54 54 ILE N N 54 124.830 124.830 126.091 -1.261 18281 6884 1 9 . 1 1 54 54 ILE HA H 54 5.310 5.310 5.049 0.261 18281 6885 1 9 . 1 1 54 54 ILE C C 54 175.260 175.260 174.940 0.320 18281 6886 1 9 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.082 -0.212 18281 6887 1 9 . 1 1 54 54 ILE CB C 54 39.450 39.450 40.023 -0.573 18281 6888 1 9 . 1 1 54 54 ILE H H 54 8.550 8.550 8.659 -0.109 18281 6889 1 9 . 1 1 55 55 LYS N N 55 126.970 126.970 126.373 0.597 18281 6890 1 9 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.304 -0.004 18281 6891 1 9 . 1 1 55 55 LYS C C 55 173.950 173.950 175.081 -1.131 18281 6892 1 9 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.541 -0.711 18281 6893 1 9 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.407 0.323 18281 6894 1 9 . 1 1 55 55 LYS H H 55 9.400 9.400 9.114 0.286 18281 6895 1 9 . 1 1 56 56 LYS N N 56 124.220 124.220 125.097 -0.877 18281 6896 1 9 . 1 1 56 56 LYS HA H 56 5.280 5.280 5.029 0.251 18281 6897 1 9 . 1 1 56 56 LYS C C 56 175.230 175.230 174.756 0.474 18281 6898 1 9 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.470 -0.680 18281 6899 1 9 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.708 0.352 18281 6900 1 9 . 1 1 56 56 LYS H H 56 9.360 9.360 9.040 0.320 18281 6901 1 9 . 1 1 57 57 ILE N N 57 132.380 132.380 128.358 4.022 18281 6902 1 9 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.827 -0.186 18281 6903 1 9 . 1 1 57 57 ILE C C 57 174.840 174.840 175.193 -0.353 18281 6904 1 9 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.276 0.204 18281 6905 1 9 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.157 -1.887 18281 6906 1 9 . 1 1 57 57 ILE H H 57 9.240 9.240 9.177 0.063 18281 6907 1 9 . 1 1 58 58 THR N N 58 122.310 122.310 123.432 -1.122 18281 6908 1 9 . 1 1 58 58 THR HA H 58 5.180 5.180 5.230 -0.050 18281 6909 1 9 . 1 1 58 58 THR C C 58 174.260 174.260 173.761 0.499 18281 6910 1 9 . 1 1 58 58 THR CA C 58 61.720 61.720 61.689 0.031 18281 6911 1 9 . 1 1 58 58 THR CB C 58 70.640 70.640 69.821 0.819 18281 6912 1 9 . 1 1 58 58 THR H H 58 8.720 8.720 8.322 0.398 18281 6913 1 9 . 1 1 59 59 PHE N N 59 124.570 124.570 124.524 0.046 18281 6914 1 9 . 1 1 59 59 PHE HA H 59 5.020 5.020 5.258 -0.238 18281 6915 1 9 . 1 1 59 59 PHE C C 59 174.510 174.510 173.670 0.840 18281 6916 1 9 . 1 1 59 59 PHE CA C 59 56.450 56.450 55.278 1.173 18281 6917 1 9 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.507 -0.497 18281 6918 1 9 . 1 1 59 59 PHE H H 59 8.570 8.570 8.969 -0.399 18281 6919 1 9 . 1 1 60 60 GLY N N 60 104.600 104.600 110.346 -5.746 18281 6920 1 9 . 1 1 60 60 GLY C C 60 173.500 173.500 174.132 -0.632 18281 6921 1 9 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.633 0.197 18281 6922 1 9 . 1 1 60 60 GLY H H 60 7.800 7.800 8.595 -0.795 18281 6923 1 9 . 1 1 61 61 GLU N N 61 119.400 119.400 120.281 -0.881 18281 6924 1 9 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.174 -0.064 18281 6925 1 9 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.991 -1.191 18281 6926 1 9 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.037 0.903 18281 6927 1 9 . 1 1 61 61 GLU H H 61 8.290 8.290 8.826 -0.536 18281 6928 1 9 . 1 1 62 62 GLY N N 62 110.940 110.940 106.897 4.043 18281 6929 1 9 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.033 2.167 18281 6930 1 9 . 1 1 62 62 GLY H H 62 8.870 8.870 7.981 0.889 18281 6931 1 9 . 1 1 66 66 GLY C C 66 176.930 176.930 170.852 6.078 18281 6932 1 9 . 1 1 66 66 GLY CA C 66 45.080 45.080 43.142 1.938 18281 6933 1 9 . 1 1 67 67 TYR N N 67 115.490 115.490 115.364 0.126 18281 6934 1 9 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.670 -0.090 18281 6935 1 9 . 1 1 67 67 TYR C C 67 175.470 175.470 173.878 1.592 18281 6936 1 9 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.518 -0.598 18281 6937 1 9 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.736 -0.015 18281 6938 1 9 . 1 1 67 67 TYR H H 67 8.110 8.110 8.161 -0.051 18281 6939 1 9 . 1 1 68 68 VAL N N 68 111.980 111.980 115.658 -3.678 18281 6940 1 9 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.628 0.392 18281 6941 1 9 . 1 1 68 68 VAL C C 68 175.480 175.480 174.392 1.088 18281 6942 1 9 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.072 -0.572 18281 6943 1 9 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.567 0.893 18281 6944 1 9 . 1 1 68 68 VAL H H 68 8.840 8.840 8.849 -0.009 18281 6945 1 9 . 1 1 69 69 LYS N N 69 118.430 118.430 123.622 -5.192 18281 6946 1 9 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.490 0.210 18281 6947 1 9 . 1 1 69 69 LYS C C 69 175.740 175.740 175.878 -0.138 18281 6948 1 9 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.481 0.888 18281 6949 1 9 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.216 1.364 18281 6950 1 9 . 1 1 69 69 LYS H H 69 8.590 8.590 8.533 0.057 18281 6951 1 9 . 1 1 70 70 HIS N N 70 122.590 122.590 120.844 1.746 18281 6952 1 9 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.364 0.826 18281 6953 1 9 . 1 1 70 70 HIS C C 70 174.590 174.590 173.902 0.688 18281 6954 1 9 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.404 -3.564 18281 6955 1 9 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.660 2.350 18281 6956 1 9 . 1 1 70 70 HIS H H 70 9.160 9.160 9.008 0.152 18281 6957 1 9 . 1 1 71 71 LYS N N 71 122.760 122.760 123.350 -0.590 18281 6958 1 9 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.604 -0.114 18281 6959 1 9 . 1 1 71 71 LYS C C 71 175.500 175.500 174.820 0.680 18281 6960 1 9 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.774 0.266 18281 6961 1 9 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.629 -0.759 18281 6962 1 9 . 1 1 71 71 LYS H H 71 9.460 9.460 9.400 0.060 18281 6963 1 9 . 1 1 72 72 ILE N N 72 127.870 127.870 126.353 1.517 18281 6964 1 9 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.306 -0.426 18281 6965 1 9 . 1 1 72 72 ILE C C 72 175.430 175.430 175.927 -0.497 18281 6966 1 9 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.667 1.733 18281 6967 1 9 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.373 -1.333 18281 6968 1 9 . 1 1 72 72 ILE H H 72 9.320 9.320 8.466 0.854 18281 6969 1 9 . 1 1 73 73 HIS N N 73 127.690 127.690 126.855 0.835 18281 6970 1 9 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.712 0.408 18281 6971 1 9 . 1 1 73 73 HIS C C 73 176.240 176.240 175.073 1.167 18281 6972 1 9 . 1 1 73 73 HIS CA C 73 56.970 56.970 58.215 -1.245 18281 6973 1 9 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.755 0.185 18281 6974 1 9 . 1 1 73 73 HIS H H 73 9.080 9.080 8.563 0.517 18281 6975 1 9 . 1 1 74 74 SER N N 74 110.900 110.900 113.713 -2.813 18281 6976 1 9 . 1 1 74 74 SER HA H 74 4.760 4.760 4.656 0.104 18281 6977 1 9 . 1 1 74 74 SER C C 74 172.620 172.620 172.418 0.202 18281 6978 1 9 . 1 1 74 74 SER CA C 74 57.880 57.880 58.280 -0.400 18281 6979 1 9 . 1 1 74 74 SER CB C 74 66.790 66.790 64.455 2.335 18281 6980 1 9 . 1 1 74 74 SER H H 74 8.180 8.180 7.698 0.482 18281 6981 1 9 . 1 1 75 75 ILE N N 75 123.780 123.780 120.227 3.553 18281 6982 1 9 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.946 -0.266 18281 6983 1 9 . 1 1 75 75 ILE C C 75 174.010 174.010 174.292 -0.282 18281 6984 1 9 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.484 2.656 18281 6985 1 9 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.611 -0.301 18281 6986 1 9 . 1 1 75 75 ILE H H 75 8.730 8.730 8.411 0.319 18281 6987 1 9 . 1 1 76 76 ASP N N 76 127.280 127.280 126.603 0.677 18281 6988 1 9 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.054 0.026 18281 6989 1 9 . 1 1 76 76 ASP C C 76 176.680 176.680 175.982 0.698 18281 6990 1 9 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.134 -1.004 18281 6991 1 9 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.838 -0.288 18281 6992 1 9 . 1 1 76 76 ASP H H 76 9.110 9.110 9.113 -0.003 18281 6993 1 9 . 1 1 77 77 LYS N N 77 122.400 122.400 123.099 -0.699 18281 6994 1 9 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.788 0.192 18281 6995 1 9 . 1 1 77 77 LYS C C 77 175.980 175.980 177.390 -1.410 18281 6996 1 9 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.780 -2.360 18281 6997 1 9 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.427 0.353 18281 6998 1 9 . 1 1 77 77 LYS H H 77 8.890 8.890 8.665 0.225 18281 6999 1 9 . 1 1 78 78 VAL N N 78 119.300 119.300 117.639 1.661 18281 7000 1 9 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.577 0.083 18281 7001 1 9 . 1 1 78 78 VAL C C 78 176.290 176.290 176.473 -0.183 18281 7002 1 9 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.774 -0.354 18281 7003 1 9 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.474 0.626 18281 7004 1 9 . 1 1 78 78 VAL H H 78 8.110 8.110 8.043 0.067 18281 7005 1 9 . 1 1 79 79 ASN N N 79 114.400 114.400 114.832 -0.432 18281 7006 1 9 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.640 -0.160 18281 7007 1 9 . 1 1 79 79 ASN C C 79 173.670 173.670 175.129 -1.459 18281 7008 1 9 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.076 -0.536 18281 7009 1 9 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.142 0.948 18281 7010 1 9 . 1 1 79 79 ASN H H 79 7.700 7.700 8.053 -0.353 18281 7011 1 9 . 1 1 80 80 HIS N N 80 115.530 115.530 114.630 0.900 18281 7012 1 9 . 1 1 80 80 HIS C C 80 173.450 173.450 172.921 0.529 18281 7013 1 9 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.684 -0.154 18281 7014 1 9 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.212 0.988 18281 7015 1 9 . 1 1 80 80 HIS H H 80 6.980 6.980 7.392 -0.412 18281 7016 1 9 . 1 1 81 81 THR N N 81 109.600 109.600 113.583 -3.983 18281 7017 1 9 . 1 1 81 81 THR HA H 81 5.730 5.730 5.109 0.621 18281 7018 1 9 . 1 1 81 81 THR C C 81 172.980 172.980 172.800 0.180 18281 7019 1 9 . 1 1 81 81 THR CA C 81 60.190 60.190 62.275 -2.085 18281 7020 1 9 . 1 1 81 81 THR CB C 81 71.740 71.740 72.148 -0.408 18281 7021 1 9 . 1 1 81 81 THR H H 81 7.990 7.990 7.805 0.185 18281 7022 1 9 . 1 1 82 82 TYR N N 82 125.000 125.000 127.986 -2.986 18281 7023 1 9 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.066 0.634 18281 7024 1 9 . 1 1 82 82 TYR C C 82 173.600 173.600 172.967 0.633 18281 7025 1 9 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.211 -1.881 18281 7026 1 9 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.408 0.402 18281 7027 1 9 . 1 1 82 82 TYR H H 82 9.300 9.300 9.473 -0.173 18281 7028 1 9 . 1 1 83 83 SER N N 83 121.820 121.820 123.440 -1.620 18281 7029 1 9 . 1 1 83 83 SER HA H 83 5.670 5.670 5.266 0.404 18281 7030 1 9 . 1 1 83 83 SER C C 83 173.490 173.490 172.702 0.788 18281 7031 1 9 . 1 1 83 83 SER CA C 83 56.420 56.420 56.449 -0.029 18281 7032 1 9 . 1 1 83 83 SER CB C 83 65.520 65.520 64.862 0.658 18281 7033 1 9 . 1 1 83 83 SER H H 83 9.090 9.090 8.041 1.049 18281 7034 1 9 . 1 1 84 84 TYR N N 84 122.970 122.970 123.547 -0.577 18281 7035 1 9 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.455 -0.225 18281 7036 1 9 . 1 1 84 84 TYR C C 84 172.530 172.530 173.198 -0.668 18281 7037 1 9 . 1 1 84 84 TYR CA C 84 56.420 56.420 55.842 0.578 18281 7038 1 9 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.709 -0.759 18281 7039 1 9 . 1 1 84 84 TYR H H 84 8.790 8.790 9.209 -0.419 18281 7040 1 9 . 1 1 85 85 SER N N 85 114.200 114.200 112.788 1.412 18281 7041 1 9 . 1 1 85 85 SER HA H 85 5.700 5.700 5.031 0.669 18281 7042 1 9 . 1 1 85 85 SER C C 85 173.180 173.180 172.636 0.544 18281 7043 1 9 . 1 1 85 85 SER CA C 85 57.510 57.510 57.500 0.010 18281 7044 1 9 . 1 1 85 85 SER CB C 85 65.940 65.940 66.878 -0.938 18281 7045 1 9 . 1 1 85 85 SER H H 85 9.350 9.350 9.497 -0.147 18281 7046 1 9 . 1 1 86 86 LEU N N 86 128.880 128.880 125.233 3.647 18281 7047 1 9 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.725 0.505 18281 7048 1 9 . 1 1 86 86 LEU C C 86 176.230 176.230 177.133 -0.903 18281 7049 1 9 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.914 1.676 18281 7050 1 9 . 1 1 86 86 LEU CB C 86 44.150 44.150 42.479 1.671 18281 7051 1 9 . 1 1 86 86 LEU H H 86 9.900 9.900 8.806 1.094 18281 7052 1 9 . 1 1 87 87 ILE N N 87 115.900 115.900 128.206 -12.306 18281 7053 1 9 . 1 1 87 87 ILE HA H 87 4.930 4.930 3.814 1.116 18281 7054 1 9 . 1 1 87 87 ILE C C 87 176.080 176.080 176.143 -0.063 18281 7055 1 9 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.996 -3.725 18281 7056 1 9 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.449 1.381 18281 7057 1 9 . 1 1 87 87 ILE H H 87 8.180 8.180 8.464 -0.284 18281 7058 1 9 . 1 1 88 88 GLU N N 88 121.920 121.920 115.931 5.989 18281 7059 1 9 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.555 -0.045 18281 7060 1 9 . 1 1 88 88 GLU C C 88 174.020 174.020 174.915 -0.895 18281 7061 1 9 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.596 2.443 18281 7062 1 9 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.367 1.603 18281 7063 1 9 . 1 1 88 88 GLU H H 88 7.650 7.650 7.456 0.194 18281 7064 1 9 . 1 1 89 89 GLY N N 89 111.650 111.650 107.299 4.351 18281 7065 1 9 . 1 1 89 89 GLY C C 89 173.800 173.800 174.511 -0.711 18281 7066 1 9 . 1 1 89 89 GLY CA C 89 44.950 44.950 45.091 -0.141 18281 7067 1 9 . 1 1 89 89 GLY H H 89 8.830 8.830 8.366 0.464 18281 7068 1 9 . 1 1 90 90 ASP N N 90 119.650 119.650 125.230 -5.580 18281 7069 1 9 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.195 0.165 18281 7070 1 9 . 1 1 90 90 ASP C C 90 176.570 176.570 177.997 -1.427 18281 7071 1 9 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.693 -0.653 18281 7072 1 9 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.766 0.514 18281 7073 1 9 . 1 1 90 90 ASP H H 90 8.430 8.430 8.352 0.078 18281 7074 1 9 . 1 1 91 91 ALA N N 91 118.530 118.530 118.650 -0.120 18281 7075 1 9 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.219 0.021 18281 7076 1 9 . 1 1 91 91 ALA C C 91 177.740 177.740 179.176 -1.436 18281 7077 1 9 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.398 -1.188 18281 7078 1 9 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.483 0.827 18281 7079 1 9 . 1 1 91 91 ALA H H 91 7.810 7.810 8.325 -0.515 18281 7080 1 9 . 1 1 92 92 LEU N N 92 117.330 117.330 117.774 -0.444 18281 7081 1 9 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.256 0.204 18281 7082 1 9 . 1 1 92 92 LEU C C 92 176.210 176.210 176.846 -0.636 18281 7083 1 9 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.773 -1.753 18281 7084 1 9 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.413 -2.203 18281 7085 1 9 . 1 1 92 92 LEU H H 92 7.600 7.600 7.866 -0.266 18281 7086 1 9 . 1 1 93 93 SER N N 93 115.780 115.780 112.325 3.455 18281 7087 1 9 . 1 1 93 93 SER HA H 93 4.620 4.620 4.133 0.487 18281 7088 1 9 . 1 1 93 93 SER C C 93 173.970 173.970 174.812 -0.842 18281 7089 1 9 . 1 1 93 93 SER CA C 93 57.730 57.730 59.949 -2.219 18281 7090 1 9 . 1 1 93 93 SER CB C 93 64.920 64.920 63.229 1.691 18281 7091 1 9 . 1 1 93 93 SER H H 93 7.910 7.910 7.630 0.280 18281 7092 1 9 . 1 1 94 94 GLU N N 94 119.400 119.400 120.464 -1.064 18281 7093 1 9 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.185 -0.025 18281 7094 1 9 . 1 1 94 94 GLU C C 94 176.570 176.570 176.908 -0.338 18281 7095 1 9 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.281 0.419 18281 7096 1 9 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.803 -0.593 18281 7097 1 9 . 1 1 94 94 GLU H H 94 8.850 8.850 8.821 0.029 18281 7098 1 9 . 1 1 95 95 ASN N N 95 113.460 113.460 117.005 -3.545 18281 7099 1 9 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.607 0.193 18281 7100 1 9 . 1 1 95 95 ASN C C 95 174.070 174.070 174.725 -0.655 18281 7101 1 9 . 1 1 95 95 ASN CA C 95 54.120 54.120 55.727 -1.607 18281 7102 1 9 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.017 0.332 18281 7103 1 9 . 1 1 95 95 ASN H H 95 8.290 8.290 8.193 0.097 18281 7104 1 9 . 1 1 96 96 ILE N N 96 120.610 120.610 119.405 1.205 18281 7105 1 9 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.222 -0.032 18281 7106 1 9 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.800 0.130 18281 7107 1 9 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.587 0.283 18281 7108 1 9 . 1 1 96 96 ILE H H 96 7.770 7.770 7.497 0.273 18281 7109 1 9 . 1 1 97 97 GLU N N 97 126.670 126.670 126.908 -0.238 18281 7110 1 9 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.462 0.328 18281 7111 1 9 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.696 0.504 18281 7112 1 9 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.788 2.163 18281 7113 1 9 . 1 1 97 97 GLU H H 97 8.460 8.460 8.525 -0.065 18281 7114 1 9 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.361 0.349 18281 7115 1 9 . 1 1 98 98 LYS C C 98 173.650 173.650 175.876 -2.226 18281 7116 1 9 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.005 -1.035 18281 7117 1 9 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.339 1.461 18281 7118 1 9 . 1 1 99 99 ILE N N 99 120.290 120.290 119.427 0.863 18281 7119 1 9 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.090 0.700 18281 7120 1 9 . 1 1 99 99 ILE C C 99 174.690 174.690 173.983 0.707 18281 7121 1 9 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.609 0.691 18281 7122 1 9 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.888 0.662 18281 7123 1 9 . 1 1 99 99 ILE H H 99 7.720 7.720 8.142 -0.422 18281 7124 1 9 . 1 1 100 100 ASP N N 100 126.970 126.970 125.074 1.896 18281 7125 1 9 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.628 0.472 18281 7126 1 9 . 1 1 100 100 ASP C C 100 174.490 174.490 174.055 0.435 18281 7127 1 9 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.081 0.549 18281 7128 1 9 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.323 0.527 18281 7129 1 9 . 1 1 100 100 ASP H H 100 9.220 9.220 7.971 1.249 18281 7130 1 9 . 1 1 101 101 TYR N N 101 120.640 120.640 124.279 -3.639 18281 7131 1 9 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.588 0.692 18281 7132 1 9 . 1 1 101 101 TYR C C 101 175.740 175.740 174.627 1.113 18281 7133 1 9 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.467 0.513 18281 7134 1 9 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.007 0.633 18281 7135 1 9 . 1 1 101 101 TYR H H 101 9.140 9.140 9.033 0.107 18281 7136 1 9 . 1 1 102 102 GLU N N 102 122.040 122.040 122.587 -0.547 18281 7137 1 9 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.866 0.264 18281 7138 1 9 . 1 1 102 102 GLU C C 102 175.360 175.360 175.816 -0.456 18281 7139 1 9 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.057 0.812 18281 7140 1 9 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.731 -0.661 18281 7141 1 9 . 1 1 102 102 GLU H H 102 8.670 8.670 9.505 -0.835 18281 7142 1 9 . 1 1 103 103 THR N N 103 125.840 125.840 119.681 6.159 18281 7143 1 9 . 1 1 103 103 THR HA H 103 5.580 5.580 4.951 0.629 18281 7144 1 9 . 1 1 103 103 THR C C 103 172.780 172.780 173.124 -0.344 18281 7145 1 9 . 1 1 103 103 THR CA C 103 62.150 62.150 61.331 0.819 18281 7146 1 9 . 1 1 103 103 THR CB C 103 71.750 71.750 71.509 0.241 18281 7147 1 9 . 1 1 103 103 THR H H 103 9.550 9.550 9.316 0.234 18281 7148 1 9 . 1 1 104 104 LYS N N 104 126.990 126.990 127.377 -0.387 18281 7149 1 9 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.828 0.412 18281 7150 1 9 . 1 1 104 104 LYS C C 104 174.300 174.300 173.881 0.419 18281 7151 1 9 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.323 0.007 18281 7152 1 9 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.960 -0.020 18281 7153 1 9 . 1 1 104 104 LYS H H 104 9.430 9.430 8.554 0.876 18281 7154 1 9 . 1 1 105 105 LEU N N 105 124.700 124.700 127.200 -2.500 18281 7155 1 9 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.662 0.548 18281 7156 1 9 . 1 1 105 105 LEU C C 105 175.780 175.780 175.974 -0.194 18281 7157 1 9 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.427 1.193 18281 7158 1 9 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.767 0.183 18281 7159 1 9 . 1 1 105 105 LEU H H 105 8.410 8.410 8.337 0.073 18281 7160 1 9 . 1 1 106 106 VAL N N 106 123.290 123.290 122.878 0.412 18281 7161 1 9 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.400 0.030 18281 7162 1 9 . 1 1 106 106 VAL C C 106 175.560 175.560 174.753 0.807 18281 7163 1 9 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.099 0.371 18281 7164 1 9 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.616 -0.596 18281 7165 1 9 . 1 1 106 106 VAL H H 106 9.180 9.180 9.235 -0.055 18281 7166 1 9 . 1 1 107 107 SER N N 107 121.800 121.800 120.047 1.753 18281 7167 1 9 . 1 1 107 107 SER HA H 107 4.660 4.660 4.705 -0.045 18281 7168 1 9 . 1 1 107 107 SER C C 107 173.600 173.600 173.497 0.103 18281 7169 1 9 . 1 1 107 107 SER CA C 107 59.860 59.860 56.687 3.173 18281 7170 1 9 . 1 1 107 107 SER CB C 107 63.250 63.250 64.992 -1.742 18281 7171 1 9 . 1 1 107 107 SER H H 107 8.910 8.910 8.332 0.578 18281 7172 1 9 . 1 1 108 108 ALA N N 108 129.210 129.210 125.162 4.048 18281 7173 1 9 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.880 -0.250 18281 7174 1 9 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.621 0.999 18281 7175 1 9 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.645 0.154 18281 7176 1 9 . 1 1 108 108 ALA H H 108 8.310 8.310 8.524 -0.214 18281 7177 1 9 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.341 0.079 18281 7178 1 9 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.879 -1.179 18281 7179 1 9 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.675 0.525 18281 7180 1 9 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.465 0.305 18281 7181 1 9 . 1 1 110 110 HIS C C 110 175.760 175.760 176.122 -0.362 18281 7182 1 9 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.391 -1.001 18281 7183 1 9 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.128 -0.718 18281 7184 1 9 . 1 1 111 111 GLY N N 111 108.720 108.720 106.603 2.117 18281 7185 1 9 . 1 1 111 111 GLY C C 111 174.390 174.390 173.932 0.458 18281 7186 1 9 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.107 0.023 18281 7187 1 9 . 1 1 111 111 GLY H H 111 7.730 7.730 7.876 -0.146 18281 7188 1 9 . 1 1 112 112 GLY N N 112 107.670 107.670 108.247 -0.577 18281 7189 1 9 . 1 1 112 112 GLY C C 112 174.150 174.150 173.165 0.985 18281 7190 1 9 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.361 0.059 18281 7191 1 9 . 1 1 112 112 GLY H H 112 7.600 7.600 7.955 -0.355 18281 7192 1 9 . 1 1 113 113 THR N N 113 119.830 119.830 116.201 3.629 18281 7193 1 9 . 1 1 113 113 THR HA H 113 5.060 5.060 4.833 0.227 18281 7194 1 9 . 1 1 113 113 THR C C 113 173.250 173.250 173.462 -0.212 18281 7195 1 9 . 1 1 113 113 THR CA C 113 62.990 62.990 61.703 1.287 18281 7196 1 9 . 1 1 113 113 THR CB C 113 72.270 72.270 70.745 1.525 18281 7197 1 9 . 1 1 113 113 THR H H 113 9.070 9.070 8.074 0.996 18281 7198 1 9 . 1 1 114 114 ILE N N 114 127.600 127.600 127.045 0.555 18281 7199 1 9 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.604 -0.094 18281 7200 1 9 . 1 1 114 114 ILE C C 114 174.370 174.370 174.537 -0.167 18281 7201 1 9 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.863 0.297 18281 7202 1 9 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.682 0.288 18281 7203 1 9 . 1 1 114 114 ILE H H 114 9.490 9.490 9.203 0.287 18281 7204 1 9 . 1 1 115 115 ILE N N 115 129.200 129.200 126.965 2.235 18281 7205 1 9 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.782 -0.282 18281 7206 1 9 . 1 1 115 115 ILE C C 115 175.000 175.000 174.859 0.141 18281 7207 1 9 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.300 1.100 18281 7208 1 9 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.195 -2.195 18281 7209 1 9 . 1 1 115 115 ILE H H 115 9.220 9.220 9.422 -0.202 18281 7210 1 9 . 1 1 116 116 LYS N N 116 127.550 127.550 128.094 -0.544 18281 7211 1 9 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.476 -0.306 18281 7212 1 9 . 1 1 116 116 LYS C C 116 176.300 176.300 175.789 0.511 18281 7213 1 9 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.598 0.772 18281 7214 1 9 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.410 -0.830 18281 7215 1 9 . 1 1 116 116 LYS H H 116 9.130 9.130 8.517 0.614 18281 7216 1 9 . 1 1 117 117 THR N N 117 120.940 120.940 121.197 -0.257 18281 7217 1 9 . 1 1 117 117 THR HA H 117 5.730 5.730 5.070 0.660 18281 7218 1 9 . 1 1 117 117 THR C C 117 174.620 174.620 173.598 1.022 18281 7219 1 9 . 1 1 117 117 THR CA C 117 60.990 60.990 61.476 -0.486 18281 7220 1 9 . 1 1 117 117 THR CB C 117 71.750 71.750 71.243 0.507 18281 7221 1 9 . 1 1 117 117 THR H H 117 9.020 9.020 8.895 0.126 18281 7222 1 9 . 1 1 118 118 THR N N 118 125.750 125.750 124.503 1.247 18281 7223 1 9 . 1 1 118 118 THR HA H 118 5.170 5.170 5.646 -0.476 18281 7224 1 9 . 1 1 118 118 THR C C 118 173.760 173.760 173.054 0.706 18281 7225 1 9 . 1 1 118 118 THR CA C 118 61.800 61.800 60.839 0.961 18281 7226 1 9 . 1 1 118 118 THR CB C 118 70.720 70.720 71.189 -0.469 18281 7227 1 9 . 1 1 118 118 THR H H 118 9.500 9.500 8.913 0.587 18281 7228 1 9 . 1 1 119 119 SER N N 119 122.250 122.250 119.370 2.880 18281 7229 1 9 . 1 1 119 119 SER HA H 119 5.270 5.270 5.361 -0.091 18281 7230 1 9 . 1 1 119 119 SER C C 119 172.960 172.960 172.258 0.702 18281 7231 1 9 . 1 1 119 119 SER CA C 119 55.860 55.860 56.845 -0.985 18281 7232 1 9 . 1 1 119 119 SER CB C 119 66.720 66.720 66.519 0.202 18281 7233 1 9 . 1 1 119 119 SER H H 119 9.410 9.410 8.706 0.704 18281 7234 1 9 . 1 1 120 120 LYS N N 120 124.120 124.120 120.752 3.368 18281 7235 1 9 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.616 0.624 18281 7236 1 9 . 1 1 120 120 LYS C C 120 174.780 174.780 174.487 0.293 18281 7237 1 9 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.723 0.107 18281 7238 1 9 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.987 -0.827 18281 7239 1 9 . 1 1 120 120 LYS H H 120 9.150 9.150 8.497 0.653 18281 7240 1 9 . 1 1 121 121 TYR N N 121 126.500 126.500 120.696 5.804 18281 7241 1 9 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.329 0.671 18281 7242 1 9 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.157 0.043 18281 7243 1 9 . 1 1 121 121 TYR H H 121 9.800 9.800 8.749 1.051 18281 7244 1 9 . 1 1 122 122 HIS C C 122 174.670 174.670 174.925 -0.255 18281 7245 1 9 . 1 1 123 123 THR N N 123 125.750 125.750 111.594 14.156 18281 7246 1 9 . 1 1 123 123 THR HA H 123 5.400 5.400 4.718 0.682 18281 7247 1 9 . 1 1 123 123 THR C C 123 174.460 174.460 174.641 -0.181 18281 7248 1 9 . 1 1 123 123 THR CA C 123 60.230 60.230 59.822 0.408 18281 7249 1 9 . 1 1 123 123 THR CB C 123 71.260 71.260 72.443 -1.183 18281 7250 1 9 . 1 1 123 123 THR H H 123 8.920 8.920 8.261 0.659 18281 7251 1 9 . 1 1 124 124 LYS N N 124 121.170 121.170 122.031 -0.861 18281 7252 1 9 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.196 0.564 18281 7253 1 9 . 1 1 124 124 LYS C C 124 176.450 176.450 177.315 -0.865 18281 7254 1 9 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.881 -3.371 18281 7255 1 9 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.626 1.274 18281 7256 1 9 . 1 1 124 124 LYS H H 124 8.590 8.590 8.337 0.253 18281 7257 1 9 . 1 1 125 125 GLY N N 125 110.070 110.070 104.166 5.904 18281 7258 1 9 . 1 1 125 125 GLY C C 125 173.620 173.620 173.057 0.563 18281 7259 1 9 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.188 0.082 18281 7260 1 9 . 1 1 125 125 GLY H H 125 8.390 8.390 8.390 -0.000 18281 7261 1 9 . 1 1 126 126 ASP N N 126 120.070 120.070 118.822 1.248 18281 7262 1 9 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.806 -0.136 18281 7263 1 9 . 1 1 126 126 ASP C C 126 175.580 175.580 177.275 -1.695 18281 7264 1 9 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.521 0.769 18281 7265 1 9 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.535 -0.175 18281 7266 1 9 . 1 1 126 126 ASP H H 126 8.440 8.440 8.047 0.393 18281 7267 1 9 . 1 1 127 127 VAL N N 127 119.620 119.620 117.154 2.466 18281 7268 1 9 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.809 0.431 18281 7269 1 9 . 1 1 127 127 VAL C C 127 174.610 174.610 176.081 -1.471 18281 7270 1 9 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.577 -2.347 18281 7271 1 9 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.066 2.184 18281 7272 1 9 . 1 1 127 127 VAL H H 127 7.620 7.620 7.760 -0.140 18281 7273 1 9 . 1 1 128 128 GLU N N 128 125.030 125.030 117.807 7.223 18281 7274 1 9 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.106 0.024 18281 7275 1 9 . 1 1 128 128 GLU C C 128 175.680 175.680 175.273 0.407 18281 7276 1 9 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.778 -1.238 18281 7277 1 9 . 1 1 128 128 GLU CB C 128 30.790 30.790 29.753 1.037 18281 7278 1 9 . 1 1 128 128 GLU H H 128 8.330 8.330 8.369 -0.039 18281 7279 1 9 . 1 1 129 129 ILE N N 129 124.070 124.070 122.195 1.875 18281 7280 1 9 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.315 -0.355 18281 7281 1 9 . 1 1 129 129 ILE C C 129 175.960 175.960 174.700 1.260 18281 7282 1 9 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.429 -0.079 18281 7283 1 9 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.385 -3.705 18281 7284 1 9 . 1 1 129 129 ILE H H 129 7.380 7.380 8.198 -0.818 18281 7285 1 9 . 1 1 130 130 LYS N N 130 127.800 127.800 122.614 5.186 18281 7286 1 9 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.581 -0.301 18281 7287 1 9 . 1 1 130 130 LYS C C 130 177.660 177.660 176.804 0.856 18281 7288 1 9 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.481 0.369 18281 7289 1 9 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.279 -0.469 18281 7290 1 9 . 1 1 130 130 LYS H H 130 8.790 8.790 8.448 0.342 18281 7291 1 9 . 1 1 131 131 GLU N N 131 125.060 125.060 126.000 -0.940 18281 7292 1 9 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.882 -0.072 18281 7293 1 9 . 1 1 131 131 GLU C C 131 178.630 178.630 178.252 0.378 18281 7294 1 9 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.042 -0.532 18281 7295 1 9 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.744 -0.444 18281 7296 1 9 . 1 1 131 131 GLU H H 131 8.880 8.880 9.197 -0.317 18281 7297 1 9 . 1 1 132 132 GLU N N 132 117.220 117.220 117.218 0.002 18281 7298 1 9 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.011 -0.031 18281 7299 1 9 . 1 1 132 132 GLU C C 132 178.630 178.630 179.211 -0.581 18281 7300 1 9 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.344 0.266 18281 7301 1 9 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.237 -0.257 18281 7302 1 9 . 1 1 132 132 GLU H H 132 9.200 9.200 8.976 0.224 18281 7303 1 9 . 1 1 133 133 HIS N N 133 119.810 119.810 119.024 0.786 18281 7304 1 9 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.341 0.129 18281 7305 1 9 . 1 1 133 133 HIS C C 133 178.430 178.430 177.753 0.677 18281 7306 1 9 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.573 -0.443 18281 7307 1 9 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.558 1.762 18281 7308 1 9 . 1 1 133 133 HIS H H 133 7.500 7.500 7.846 -0.346 18281 7309 1 9 . 1 1 134 134 VAL N N 134 120.370 120.370 119.737 0.633 18281 7310 1 9 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.403 0.247 18281 7311 1 9 . 1 1 134 134 VAL C C 134 179.170 179.170 177.298 1.872 18281 7312 1 9 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.514 -1.334 18281 7313 1 9 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.414 0.296 18281 7314 1 9 . 1 1 134 134 VAL H H 134 7.290 7.290 7.819 -0.529 18281 7315 1 9 . 1 1 135 135 LYS N N 135 121.310 121.310 119.999 1.311 18281 7316 1 9 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.854 0.106 18281 7317 1 9 . 1 1 135 135 LYS C C 135 178.310 178.310 178.408 -0.098 18281 7318 1 9 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.642 -0.312 18281 7319 1 9 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.321 -0.141 18281 7320 1 9 . 1 1 135 135 LYS H H 135 8.310 8.310 8.333 -0.023 18281 7321 1 9 . 1 1 136 136 ALA N N 136 121.150 121.150 121.124 0.026 18281 7322 1 9 . 1 1 136 136 ALA HA H 136 4.230 4.230 3.964 0.266 18281 7323 1 9 . 1 1 136 136 ALA C C 136 180.930 180.930 179.272 1.658 18281 7324 1 9 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.128 -0.108 18281 7325 1 9 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.207 -0.457 18281 7326 1 9 . 1 1 136 136 ALA H H 136 7.950 7.950 7.620 0.330 18281 7327 1 9 . 1 1 137 137 GLY N N 137 105.640 105.640 106.561 -0.921 18281 7328 1 9 . 1 1 137 137 GLY C C 137 177.000 177.000 176.035 0.965 18281 7329 1 9 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.812 0.348 18281 7330 1 9 . 1 1 137 137 GLY H H 137 7.930 7.930 7.806 0.124 18281 7331 1 9 . 1 1 138 138 LYS N N 138 124.210 124.210 122.199 2.011 18281 7332 1 9 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.971 0.259 18281 7333 1 9 . 1 1 138 138 LYS C C 138 178.860 178.860 178.808 0.052 18281 7334 1 9 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.641 0.149 18281 7335 1 9 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.379 0.291 18281 7336 1 9 . 1 1 138 138 LYS H H 138 7.960 7.960 7.734 0.226 18281 7337 1 9 . 1 1 139 139 GLU N N 139 119.720 119.720 118.582 1.138 18281 7338 1 9 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.914 0.226 18281 7339 1 9 . 1 1 139 139 GLU C C 139 179.710 179.710 179.102 0.608 18281 7340 1 9 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.072 0.108 18281 7341 1 9 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.185 0.115 18281 7342 1 9 . 1 1 139 139 GLU H H 139 8.370 8.370 7.978 0.392 18281 7343 1 9 . 1 1 140 140 LYS N N 140 120.270 120.270 119.703 0.567 18281 7344 1 9 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.156 -0.046 18281 7345 1 9 . 1 1 140 140 LYS C C 140 179.210 179.210 179.150 0.060 18281 7346 1 9 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.935 -0.325 18281 7347 1 9 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.236 0.144 18281 7348 1 9 . 1 1 140 140 LYS H H 140 8.140 8.140 7.914 0.226 18281 7349 1 9 . 1 1 141 141 ALA N N 141 121.910 121.910 121.298 0.612 18281 7350 1 9 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.264 -0.224 18281 7351 1 9 . 1 1 141 141 ALA C C 141 179.530 179.530 179.553 -0.023 18281 7352 1 9 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.831 0.189 18281 7353 1 9 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.159 0.221 18281 7354 1 9 . 1 1 141 141 ALA H H 141 7.730 7.730 7.666 0.064 18281 7355 1 9 . 1 1 142 142 ALA N N 142 120.440 120.440 121.501 -1.061 18281 7356 1 9 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.988 -0.108 18281 7357 1 9 . 1 1 142 142 ALA C C 142 180.080 180.080 179.517 0.563 18281 7358 1 9 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.912 -0.012 18281 7359 1 9 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.041 0.189 18281 7360 1 9 . 1 1 142 142 ALA H H 142 8.280 8.280 7.812 0.468 18281 7361 1 9 . 1 1 143 143 HIS N N 143 118.280 118.280 118.168 0.112 18281 7362 1 9 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.259 0.091 18281 7363 1 9 . 1 1 143 143 HIS C C 143 177.350 177.350 178.051 -0.701 18281 7364 1 9 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.706 -0.276 18281 7365 1 9 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.636 1.115 18281 7366 1 9 . 1 1 143 143 HIS H H 143 8.030 8.030 8.248 -0.218 18281 7367 1 9 . 1 1 144 144 LEU N N 144 118.820 118.820 119.653 -0.833 18281 7368 1 9 . 1 1 144 144 LEU HA H 144 3.910 3.910 4.083 -0.173 18281 7369 1 9 . 1 1 144 144 LEU C C 144 179.040 179.040 178.804 0.236 18281 7370 1 9 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.525 0.555 18281 7371 1 9 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.303 -0.343 18281 7372 1 9 . 1 1 144 144 LEU H H 144 7.700 7.700 7.949 -0.249 18281 7373 1 9 . 1 1 145 145 PHE N N 145 116.920 116.920 119.639 -2.719 18281 7374 1 9 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.960 0.040 18281 7375 1 9 . 1 1 145 145 PHE C C 145 177.900 177.900 177.246 0.654 18281 7376 1 9 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.925 0.226 18281 7377 1 9 . 1 1 145 145 PHE CB C 145 37.750 37.750 39.019 -1.269 18281 7378 1 9 . 1 1 145 145 PHE H H 145 8.100 8.100 8.349 -0.249 18281 7379 1 9 . 1 1 146 146 LYS N N 146 119.710 119.710 119.535 0.175 18281 7380 1 9 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.764 0.366 18281 7381 1 9 . 1 1 146 146 LYS C C 146 177.750 177.750 178.482 -0.732 18281 7382 1 9 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.603 -0.703 18281 7383 1 9 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.296 -0.016 18281 7384 1 9 . 1 1 146 146 LYS H H 146 8.040 8.040 8.130 -0.090 18281 7385 1 9 . 1 1 147 147 LEU N N 147 118.970 118.970 120.150 -1.180 18281 7386 1 9 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.805 0.195 18281 7387 1 9 . 1 1 147 147 LEU C C 147 180.460 180.460 178.198 2.262 18281 7388 1 9 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.099 0.372 18281 7389 1 9 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.509 0.891 18281 7390 1 9 . 1 1 147 147 LEU H H 147 7.960 7.960 7.224 0.736 18281 7391 1 9 . 1 1 148 148 ILE N N 148 121.410 121.410 119.002 2.408 18281 7392 1 9 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.498 0.042 18281 7393 1 9 . 1 1 148 148 ILE C C 148 177.030 177.030 177.599 -0.569 18281 7394 1 9 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.859 -0.459 18281 7395 1 9 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.239 0.451 18281 7396 1 9 . 1 1 148 148 ILE H H 148 8.200 8.200 7.552 0.648 18281 7397 1 9 . 1 1 149 149 GLU N N 149 120.450 120.450 119.939 0.511 18281 7398 1 9 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.767 -0.087 18281 7399 1 9 . 1 1 149 149 GLU C C 149 178.540 178.540 178.667 -0.127 18281 7400 1 9 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.362 0.958 18281 7401 1 9 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.285 -0.455 18281 7402 1 9 . 1 1 149 149 GLU H H 149 8.680 8.680 7.442 1.238 18281 7403 1 9 . 1 1 150 150 GLY N N 150 104.450 104.450 106.302 -1.852 18281 7404 1 9 . 1 1 150 150 GLY C C 150 175.670 175.670 176.410 -0.740 18281 7405 1 9 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.121 0.129 18281 7406 1 9 . 1 1 150 150 GLY H H 150 8.180 8.180 7.781 0.399 18281 7407 1 9 . 1 1 151 151 TYR N N 151 122.120 122.120 121.833 0.287 18281 7408 1 9 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.534 -0.154 18281 7409 1 9 . 1 1 151 151 TYR C C 151 179.360 179.360 178.203 1.157 18281 7410 1 9 . 1 1 151 151 TYR CA C 151 62.320 62.320 59.022 3.298 18281 7411 1 9 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.903 -1.513 18281 7412 1 9 . 1 1 151 151 TYR H H 151 7.910 7.910 7.333 0.577 18281 7413 1 9 . 1 1 152 152 LEU N N 152 120.020 120.020 118.869 1.151 18281 7414 1 9 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.842 0.188 18281 7415 1 9 . 1 1 152 152 LEU C C 152 180.320 180.320 178.180 2.140 18281 7416 1 9 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.311 0.449 18281 7417 1 9 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.833 -0.833 18281 7418 1 9 . 1 1 152 152 LEU H H 152 8.630 8.630 7.940 0.690 18281 7419 1 9 . 1 1 153 153 LYS N N 153 119.730 119.730 118.394 1.336 18281 7420 1 9 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.043 -0.073 18281 7421 1 9 . 1 1 153 153 LYS C C 153 178.150 178.150 177.514 0.636 18281 7422 1 9 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.658 0.742 18281 7423 1 9 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.811 -0.461 18281 7424 1 9 . 1 1 153 153 LYS H H 153 8.260 8.260 8.249 0.011 18281 7425 1 9 . 1 1 154 154 ASP N N 154 117.020 117.020 114.568 2.452 18281 7426 1 9 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.644 -0.644 18281 7427 1 9 . 1 1 154 154 ASP C C 154 175.660 175.660 176.433 -0.773 18281 7428 1 9 . 1 1 154 154 ASP CA C 154 55.030 55.030 53.707 1.323 18281 7429 1 9 . 1 1 154 154 ASP H H 154 7.560 7.560 7.774 -0.214 18281 7430 1 9 . 1 1 155 155 HIS N N 155 117.160 117.160 121.608 -4.448 18281 7431 1 9 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.418 0.482 18281 7432 1 9 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.540 -1.390 18281 7433 1 9 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.855 -2.865 18281 7434 1 9 . 1 1 155 155 HIS H H 155 7.430 7.430 7.883 -0.453 18281 7435 1 10 . 1 1 3 3 VAL N N 3 119.910 119.910 120.081 -0.171 18281 7436 1 10 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.093 0.827 18281 7437 1 10 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.026 -0.007 18281 7438 1 10 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.049 1.081 18281 7439 1 10 . 1 1 3 3 VAL H H 3 7.630 7.630 7.409 0.221 18281 7440 1 10 . 1 1 4 4 TYR N N 4 119.930 119.930 124.849 -4.919 18281 7441 1 10 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.564 0.106 18281 7442 1 10 . 1 1 4 4 TYR C C 4 174.670 174.670 175.107 -0.437 18281 7443 1 10 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.651 0.819 18281 7444 1 10 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.832 0.438 18281 7445 1 10 . 1 1 4 4 TYR H H 4 8.660 8.660 8.084 0.576 18281 7446 1 10 . 1 1 5 5 THR N N 5 119.930 119.930 116.810 3.120 18281 7447 1 10 . 1 1 5 5 THR HA H 5 5.290 5.290 4.247 1.043 18281 7448 1 10 . 1 1 5 5 THR C C 5 173.180 173.180 173.582 -0.402 18281 7449 1 10 . 1 1 5 5 THR CA C 5 61.780 61.780 61.883 -0.103 18281 7450 1 10 . 1 1 5 5 THR CB C 5 70.360 70.360 69.610 0.750 18281 7451 1 10 . 1 1 5 5 THR H H 5 8.230 8.230 8.208 0.022 18281 7452 1 10 . 1 1 6 6 TYR N N 6 125.060 125.060 125.083 -0.023 18281 7453 1 10 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.766 0.524 18281 7454 1 10 . 1 1 6 6 TYR C C 6 174.380 174.380 174.583 -0.203 18281 7455 1 10 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.473 0.637 18281 7456 1 10 . 1 1 6 6 TYR CB C 6 41.850 41.850 40.928 0.922 18281 7457 1 10 . 1 1 6 6 TYR H H 6 9.210 9.210 8.332 0.878 18281 7458 1 10 . 1 1 7 7 GLU N N 7 122.360 122.360 123.549 -1.189 18281 7459 1 10 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.717 0.643 18281 7460 1 10 . 1 1 7 7 GLU C C 7 175.390 175.390 175.159 0.231 18281 7461 1 10 . 1 1 7 7 GLU CA C 7 54.980 54.980 55.035 -0.055 18281 7462 1 10 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.407 0.643 18281 7463 1 10 . 1 1 7 7 GLU H H 7 8.830 8.830 8.763 0.067 18281 7464 1 10 . 1 1 8 8 ASN N N 8 119.960 119.960 123.331 -3.371 18281 7465 1 10 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.044 0.056 18281 7466 1 10 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.441 0.179 18281 7467 1 10 . 1 1 8 8 ASN CB C 8 43.210 43.210 42.285 0.925 18281 7468 1 10 . 1 1 8 8 ASN H H 8 8.800 8.800 8.823 -0.023 18281 7469 1 10 . 1 1 9 9 GLU N N 9 121.420 121.420 122.384 -0.964 18281 7470 1 10 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.995 0.605 18281 7471 1 10 . 1 1 9 9 GLU C C 9 174.590 174.590 174.682 -0.092 18281 7472 1 10 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.493 -0.723 18281 7473 1 10 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.584 1.166 18281 7474 1 10 . 1 1 9 9 GLU H H 9 8.330 8.330 8.512 -0.182 18281 7475 1 10 . 1 1 10 10 PHE N N 10 121.240 121.240 126.698 -5.458 18281 7476 1 10 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.923 0.097 18281 7477 1 10 . 1 1 10 10 PHE C C 10 173.880 173.880 173.523 0.357 18281 7478 1 10 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.291 -1.741 18281 7479 1 10 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.256 -1.786 18281 7480 1 10 . 1 1 10 10 PHE H H 10 8.760 8.760 9.301 -0.541 18281 7481 1 10 . 1 1 11 11 THR N N 11 113.110 113.110 117.013 -3.903 18281 7482 1 10 . 1 1 11 11 THR HA H 11 5.170 5.170 4.682 0.488 18281 7483 1 10 . 1 1 11 11 THR C C 11 173.530 173.530 173.977 -0.447 18281 7484 1 10 . 1 1 11 11 THR CA C 11 60.940 60.940 60.526 0.414 18281 7485 1 10 . 1 1 11 11 THR CB C 11 71.260 71.260 69.880 1.380 18281 7486 1 10 . 1 1 11 11 THR H H 11 8.470 8.470 7.559 0.911 18281 7487 1 10 . 1 1 12 12 SER N N 12 115.490 115.490 118.900 -3.410 18281 7488 1 10 . 1 1 12 12 SER C C 12 173.530 173.530 172.889 0.641 18281 7489 1 10 . 1 1 12 12 SER CA C 12 56.460 56.460 57.158 -0.698 18281 7490 1 10 . 1 1 12 12 SER CB C 12 66.320 66.320 66.767 -0.447 18281 7491 1 10 . 1 1 12 12 SER H H 12 8.870 8.870 9.072 -0.202 18281 7492 1 10 . 1 1 13 13 ASP N N 13 126.650 126.650 120.878 5.772 18281 7493 1 10 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.752 -0.012 18281 7494 1 10 . 1 1 13 13 ASP C C 13 174.520 174.520 176.477 -1.957 18281 7495 1 10 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.140 1.890 18281 7496 1 10 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.529 -0.529 18281 7497 1 10 . 1 1 13 13 ASP H H 13 9.060 9.060 8.501 0.559 18281 7498 1 10 . 1 1 14 14 ILE N N 14 123.580 123.580 116.110 7.470 18281 7499 1 10 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.961 0.389 18281 7500 1 10 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.394 -4.004 18281 7501 1 10 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.331 0.009 18281 7502 1 10 . 1 1 14 14 ILE H H 14 8.470 8.470 8.246 0.224 18281 7503 1 10 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.669 -0.229 18281 7504 1 10 . 1 1 15 15 PRO C C 15 177.130 177.130 177.888 -0.758 18281 7505 1 10 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.620 0.450 18281 7506 1 10 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.394 1.056 18281 7507 1 10 . 1 1 16 16 ALA N N 16 126.780 126.780 126.204 0.576 18281 7508 1 10 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.011 -0.011 18281 7509 1 10 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.055 0.045 18281 7510 1 10 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.124 0.176 18281 7511 1 10 . 1 1 16 16 ALA H H 16 8.570 8.570 8.518 0.052 18281 7512 1 10 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.398 -0.498 18281 7513 1 10 . 1 1 17 17 PRO C C 17 179.610 179.610 179.221 0.389 18281 7514 1 10 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.356 0.654 18281 7515 1 10 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.244 -0.344 18281 7516 1 10 . 1 1 18 18 LYS N N 18 116.630 116.630 118.792 -2.162 18281 7517 1 10 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.192 -0.052 18281 7518 1 10 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.497 -0.227 18281 7519 1 10 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.857 0.463 18281 7520 1 10 . 1 1 18 18 LYS H H 18 6.710 6.710 8.044 -1.334 18281 7521 1 10 . 1 1 19 19 LEU N N 19 118.930 118.930 120.458 -1.528 18281 7522 1 10 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.232 -0.392 18281 7523 1 10 . 1 1 19 19 LEU C C 19 178.380 178.380 178.071 0.309 18281 7524 1 10 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.873 0.557 18281 7525 1 10 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.918 0.172 18281 7526 1 10 . 1 1 19 19 LEU H H 19 7.950 7.950 8.296 -0.346 18281 7527 1 10 . 1 1 20 20 PHE N N 20 118.660 118.660 120.931 -2.271 18281 7528 1 10 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.218 -0.368 18281 7529 1 10 . 1 1 20 20 PHE C C 20 177.680 177.680 177.102 0.578 18281 7530 1 10 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.027 0.853 18281 7531 1 10 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.447 -0.027 18281 7532 1 10 . 1 1 20 20 PHE H H 20 9.040 9.040 8.589 0.451 18281 7533 1 10 . 1 1 21 21 LYS N N 21 118.430 118.430 119.683 -1.253 18281 7534 1 10 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.020 -0.250 18281 7535 1 10 . 1 1 21 21 LYS C C 21 176.400 176.400 178.405 -2.005 18281 7536 1 10 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.685 0.475 18281 7537 1 10 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.554 0.445 18281 7538 1 10 . 1 1 21 21 LYS H H 21 7.630 7.630 8.341 -0.711 18281 7539 1 10 . 1 1 22 22 ALA N N 22 118.710 118.710 120.826 -2.116 18281 7540 1 10 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.387 0.383 18281 7541 1 10 . 1 1 22 22 ALA C C 22 175.450 175.450 178.563 -3.113 18281 7542 1 10 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.237 1.303 18281 7543 1 10 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.810 1.390 18281 7544 1 10 . 1 1 22 22 ALA H H 22 7.390 7.390 7.382 0.008 18281 7545 1 10 . 1 1 23 23 PHE N N 23 109.720 109.720 116.862 -7.142 18281 7546 1 10 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.156 0.084 18281 7547 1 10 . 1 1 23 23 PHE C C 23 174.130 174.130 175.422 -1.292 18281 7548 1 10 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.329 -2.009 18281 7549 1 10 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.816 0.624 18281 7550 1 10 . 1 1 23 23 PHE H H 23 8.400 8.400 8.176 0.224 18281 7551 1 10 . 1 1 24 24 VAL N N 24 113.250 113.250 117.865 -4.615 18281 7552 1 10 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.209 0.111 18281 7553 1 10 . 1 1 24 24 VAL C C 24 177.660 177.660 176.273 1.387 18281 7554 1 10 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.557 -0.057 18281 7555 1 10 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.305 -1.425 18281 7556 1 10 . 1 1 24 24 VAL H H 24 7.220 7.220 7.301 -0.081 18281 7557 1 10 . 1 1 25 25 LEU N N 25 116.250 116.250 119.177 -2.927 18281 7558 1 10 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.985 -0.095 18281 7559 1 10 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.399 0.511 18281 7560 1 10 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.735 -0.735 18281 7561 1 10 . 1 1 25 25 LEU H H 25 7.180 7.180 7.428 -0.248 18281 7562 1 10 . 1 1 26 26 ASP N N 26 117.160 117.160 116.111 1.049 18281 7563 1 10 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.680 0.620 18281 7564 1 10 . 1 1 26 26 ASP C C 26 177.300 177.300 176.349 0.951 18281 7565 1 10 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.666 -1.496 18281 7566 1 10 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.457 2.463 18281 7567 1 10 . 1 1 26 26 ASP H H 26 8.070 8.070 7.657 0.413 18281 7568 1 10 . 1 1 27 27 ALA N N 27 123.040 123.040 123.417 -0.377 18281 7569 1 10 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.690 0.070 18281 7570 1 10 . 1 1 27 27 ALA C C 27 178.900 178.900 178.805 0.095 18281 7571 1 10 . 1 1 27 27 ALA CA C 27 56.040 56.040 55.023 1.017 18281 7572 1 10 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.401 1.029 18281 7573 1 10 . 1 1 27 27 ALA H H 27 6.360 6.360 7.150 -0.790 18281 7574 1 10 . 1 1 28 28 ASP N N 28 115.060 115.060 117.493 -2.433 18281 7575 1 10 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.204 -0.224 18281 7576 1 10 . 1 1 28 28 ASP C C 28 175.850 175.850 176.581 -0.731 18281 7577 1 10 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.919 -1.379 18281 7578 1 10 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.279 -0.639 18281 7579 1 10 . 1 1 28 28 ASP H H 28 8.290 8.290 8.105 0.185 18281 7580 1 10 . 1 1 29 29 ASN N N 29 113.110 113.110 114.956 -1.846 18281 7581 1 10 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.651 0.079 18281 7582 1 10 . 1 1 29 29 ASN C C 29 176.430 176.430 176.845 -0.415 18281 7583 1 10 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.447 -0.836 18281 7584 1 10 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.297 0.963 18281 7585 1 10 . 1 1 29 29 ASN H H 29 7.360 7.360 7.750 -0.390 18281 7586 1 10 . 1 1 30 30 LEU N N 30 120.630 120.630 122.098 -1.468 18281 7587 1 10 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.897 0.123 18281 7588 1 10 . 1 1 30 30 LEU CA C 30 57.800 57.800 56.726 1.074 18281 7589 1 10 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.567 1.213 18281 7590 1 10 . 1 1 30 30 LEU H H 30 8.320 8.320 8.339 -0.019 18281 7591 1 10 . 1 1 31 31 ILE N N 31 116.170 116.170 120.066 -3.896 18281 7592 1 10 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.599 0.051 18281 7593 1 10 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.556 -0.756 18281 7594 1 10 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.181 -1.271 18281 7595 1 10 . 1 1 31 31 ILE H H 31 8.140 8.140 8.053 0.087 18281 7596 1 10 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.266 0.254 18281 7597 1 10 . 1 1 32 32 PRO C C 32 177.680 177.680 177.524 0.156 18281 7598 1 10 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.749 0.770 18281 7599 1 10 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.147 0.373 18281 7600 1 10 . 1 1 33 33 LYS N N 33 112.410 112.410 117.354 -4.944 18281 7601 1 10 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.140 0.010 18281 7602 1 10 . 1 1 33 33 LYS C C 33 178.220 178.220 178.239 -0.019 18281 7603 1 10 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.173 0.117 18281 7604 1 10 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.781 1.129 18281 7605 1 10 . 1 1 33 33 LYS H H 33 6.880 6.880 7.153 -0.273 18281 7606 1 10 . 1 1 34 34 ILE N N 34 112.260 112.260 116.738 -4.478 18281 7607 1 10 . 1 1 34 34 ILE HA H 34 4.320 4.320 4.026 0.294 18281 7608 1 10 . 1 1 34 34 ILE C C 34 175.920 175.920 176.562 -0.642 18281 7609 1 10 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.234 -1.414 18281 7610 1 10 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.722 0.628 18281 7611 1 10 . 1 1 34 34 ILE H H 34 7.560 7.560 7.504 0.056 18281 7612 1 10 . 1 1 35 35 ALA N N 35 124.420 124.420 120.631 3.789 18281 7613 1 10 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.801 0.169 18281 7614 1 10 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.601 0.759 18281 7615 1 10 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.451 0.809 18281 7616 1 10 . 1 1 35 35 ALA H H 35 8.820 8.820 7.394 1.426 18281 7617 1 10 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.337 0.393 18281 7618 1 10 . 1 1 36 36 PRO C C 36 177.890 177.890 177.882 0.008 18281 7619 1 10 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.768 -0.528 18281 7620 1 10 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.245 -0.565 18281 7621 1 10 . 1 1 37 37 GLN N N 37 115.580 115.580 118.301 -2.721 18281 7622 1 10 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.059 0.191 18281 7623 1 10 . 1 1 37 37 GLN C C 37 177.740 177.740 176.978 0.762 18281 7624 1 10 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.074 -0.764 18281 7625 1 10 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.978 -0.458 18281 7626 1 10 . 1 1 37 37 GLN H H 37 8.660 8.660 8.533 0.127 18281 7627 1 10 . 1 1 38 38 ALA N N 38 123.250 123.250 119.122 4.128 18281 7628 1 10 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.275 0.115 18281 7629 1 10 . 1 1 38 38 ALA C C 38 177.850 177.850 176.960 0.890 18281 7630 1 10 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.203 0.297 18281 7631 1 10 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.236 0.594 18281 7632 1 10 . 1 1 38 38 ALA H H 38 8.030 8.030 7.863 0.167 18281 7633 1 10 . 1 1 39 39 VAL N N 39 117.330 117.330 115.825 1.505 18281 7634 1 10 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.367 -0.237 18281 7635 1 10 . 1 1 39 39 VAL C C 39 172.750 172.750 174.793 -2.043 18281 7636 1 10 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.822 1.628 18281 7637 1 10 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.506 -1.876 18281 7638 1 10 . 1 1 39 39 VAL H H 39 7.660 7.660 7.319 0.341 18281 7639 1 10 . 1 1 40 40 LYS N N 40 125.270 125.270 126.010 -0.740 18281 7640 1 10 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.230 0.230 18281 7641 1 10 . 1 1 40 40 LYS C C 40 177.240 177.240 176.629 0.611 18281 7642 1 10 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.560 -1.111 18281 7643 1 10 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.288 0.712 18281 7644 1 10 . 1 1 40 40 LYS H H 40 8.910 8.910 8.891 0.019 18281 7645 1 10 . 1 1 41 41 CYS N N 41 112.210 112.210 116.049 -3.839 18281 7646 1 10 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.476 0.084 18281 7647 1 10 . 1 1 41 41 CYS C C 41 170.900 170.900 172.713 -1.813 18281 7648 1 10 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.965 -1.945 18281 7649 1 10 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.988 -0.188 18281 7650 1 10 . 1 1 41 41 CYS H H 41 7.680 7.680 7.731 -0.051 18281 7651 1 10 . 1 1 42 42 ALA N N 42 125.620 125.620 128.464 -2.844 18281 7652 1 10 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.691 0.529 18281 7653 1 10 . 1 1 42 42 ALA C C 42 175.690 175.690 175.848 -0.158 18281 7654 1 10 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.574 -0.594 18281 7655 1 10 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.680 2.321 18281 7656 1 10 . 1 1 42 42 ALA H H 42 8.700 8.700 8.610 0.090 18281 7657 1 10 . 1 1 43 43 GLU N N 43 120.730 120.730 124.120 -3.390 18281 7658 1 10 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.732 -0.072 18281 7659 1 10 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.603 -0.233 18281 7660 1 10 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.622 0.498 18281 7661 1 10 . 1 1 43 43 GLU H H 43 8.810 8.810 8.944 -0.134 18281 7662 1 10 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.486 -0.446 18281 7663 1 10 . 1 1 44 44 ILE C C 44 176.190 176.190 176.098 0.092 18281 7664 1 10 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.626 1.364 18281 7665 1 10 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.522 -0.742 18281 7666 1 10 . 1 1 45 45 LEU N N 45 129.030 129.030 129.767 -0.737 18281 7667 1 10 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.225 0.225 18281 7668 1 10 . 1 1 45 45 LEU C C 45 177.270 177.270 176.634 0.636 18281 7669 1 10 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.858 -0.848 18281 7670 1 10 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.953 -0.473 18281 7671 1 10 . 1 1 45 45 LEU H H 45 9.090 9.090 8.605 0.485 18281 7672 1 10 . 1 1 46 46 GLU N N 46 116.640 116.640 113.477 3.163 18281 7673 1 10 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.464 0.146 18281 7674 1 10 . 1 1 46 46 GLU C C 46 174.840 174.840 175.502 -0.662 18281 7675 1 10 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.389 0.221 18281 7676 1 10 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.843 0.727 18281 7677 1 10 . 1 1 46 46 GLU H H 46 7.700 7.700 7.507 0.193 18281 7678 1 10 . 1 1 47 47 GLY N N 47 110.230 110.230 109.978 0.252 18281 7679 1 10 . 1 1 47 47 GLY C C 47 173.630 173.630 173.858 -0.228 18281 7680 1 10 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.744 -1.064 18281 7681 1 10 . 1 1 47 47 GLY H H 47 8.620 8.620 8.779 -0.159 18281 7682 1 10 . 1 1 48 48 ASP N N 48 115.220 115.220 121.199 -5.979 18281 7683 1 10 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.361 0.409 18281 7684 1 10 . 1 1 48 48 ASP C C 48 177.340 177.340 176.196 1.144 18281 7685 1 10 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.847 -1.927 18281 7686 1 10 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.354 2.326 18281 7687 1 10 . 1 1 48 48 ASP H H 48 7.960 7.960 8.464 -0.504 18281 7688 1 10 . 1 1 49 49 GLY N N 49 110.900 110.900 103.029 7.871 18281 7689 1 10 . 1 1 49 49 GLY C C 49 174.750 174.750 173.770 0.980 18281 7690 1 10 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.203 0.107 18281 7691 1 10 . 1 1 49 49 GLY H H 49 8.750 8.750 8.565 0.185 18281 7692 1 10 . 1 1 50 50 GLY N N 50 107.020 107.020 107.284 -0.264 18281 7693 1 10 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.845 0.755 18281 7694 1 10 . 1 1 50 50 GLY H H 50 8.300 8.300 8.205 0.095 18281 7695 1 10 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.222 -0.262 18281 7696 1 10 . 1 1 51 51 PRO C C 51 176.780 176.780 177.694 -0.914 18281 7697 1 10 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.435 1.565 18281 7698 1 10 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.671 0.199 18281 7699 1 10 . 1 1 52 52 GLY N N 52 114.320 114.320 113.859 0.461 18281 7700 1 10 . 1 1 52 52 GLY C C 52 174.170 174.170 174.148 0.022 18281 7701 1 10 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.650 -0.970 18281 7702 1 10 . 1 1 52 52 GLY H H 52 9.240 9.240 8.795 0.445 18281 7703 1 10 . 1 1 53 53 THR N N 53 118.900 118.900 115.963 2.937 18281 7704 1 10 . 1 1 53 53 THR HA H 53 4.660 4.660 4.581 0.079 18281 7705 1 10 . 1 1 53 53 THR C C 53 173.510 173.510 174.205 -0.695 18281 7706 1 10 . 1 1 53 53 THR CA C 53 64.580 64.580 62.569 2.010 18281 7707 1 10 . 1 1 53 53 THR CB C 53 70.070 70.070 69.785 0.285 18281 7708 1 10 . 1 1 53 53 THR H H 53 7.910 7.910 7.437 0.473 18281 7709 1 10 . 1 1 54 54 ILE N N 54 124.830 124.830 126.342 -1.512 18281 7710 1 10 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.640 0.670 18281 7711 1 10 . 1 1 54 54 ILE C C 54 175.260 175.260 175.153 0.107 18281 7712 1 10 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.756 1.114 18281 7713 1 10 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.139 1.311 18281 7714 1 10 . 1 1 54 54 ILE H H 54 8.550 8.550 8.690 -0.140 18281 7715 1 10 . 1 1 55 55 LYS N N 55 126.970 126.970 126.174 0.796 18281 7716 1 10 . 1 1 55 55 LYS HA H 55 5.300 5.300 4.991 0.309 18281 7717 1 10 . 1 1 55 55 LYS C C 55 173.950 173.950 175.538 -1.588 18281 7718 1 10 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.725 -0.895 18281 7719 1 10 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.913 0.817 18281 7720 1 10 . 1 1 55 55 LYS H H 55 9.400 9.400 9.294 0.106 18281 7721 1 10 . 1 1 56 56 LYS N N 56 124.220 124.220 124.955 -0.735 18281 7722 1 10 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.798 0.482 18281 7723 1 10 . 1 1 56 56 LYS C C 56 175.230 175.230 174.456 0.774 18281 7724 1 10 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.704 -0.914 18281 7725 1 10 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.075 -0.015 18281 7726 1 10 . 1 1 56 56 LYS H H 56 9.360 9.360 9.285 0.075 18281 7727 1 10 . 1 1 57 57 ILE N N 57 132.380 132.380 127.969 4.411 18281 7728 1 10 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.573 0.067 18281 7729 1 10 . 1 1 57 57 ILE C C 57 174.840 174.840 175.065 -0.225 18281 7730 1 10 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.419 0.061 18281 7731 1 10 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.410 -2.140 18281 7732 1 10 . 1 1 57 57 ILE H H 57 9.240 9.240 9.316 -0.076 18281 7733 1 10 . 1 1 58 58 THR N N 58 122.310 122.310 123.132 -0.822 18281 7734 1 10 . 1 1 58 58 THR HA H 58 5.180 5.180 5.010 0.170 18281 7735 1 10 . 1 1 58 58 THR C C 58 174.260 174.260 173.610 0.650 18281 7736 1 10 . 1 1 58 58 THR CA C 58 61.720 61.720 61.906 -0.186 18281 7737 1 10 . 1 1 58 58 THR CB C 58 70.640 70.640 70.301 0.339 18281 7738 1 10 . 1 1 58 58 THR H H 58 8.720 8.720 8.567 0.153 18281 7739 1 10 . 1 1 59 59 PHE N N 59 124.570 124.570 124.460 0.110 18281 7740 1 10 . 1 1 59 59 PHE HA H 59 5.020 5.020 5.135 -0.115 18281 7741 1 10 . 1 1 59 59 PHE C C 59 174.510 174.510 173.709 0.801 18281 7742 1 10 . 1 1 59 59 PHE CA C 59 56.450 56.450 55.625 0.825 18281 7743 1 10 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.247 -0.237 18281 7744 1 10 . 1 1 59 59 PHE H H 59 8.570 8.570 8.424 0.146 18281 7745 1 10 . 1 1 60 60 GLY N N 60 104.600 104.600 110.117 -5.517 18281 7746 1 10 . 1 1 60 60 GLY C C 60 173.500 173.500 174.393 -0.893 18281 7747 1 10 . 1 1 60 60 GLY CA C 60 44.830 44.830 43.905 0.925 18281 7748 1 10 . 1 1 60 60 GLY H H 60 7.800 7.800 8.742 -0.942 18281 7749 1 10 . 1 1 61 61 GLU N N 61 119.400 119.400 125.562 -6.162 18281 7750 1 10 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.132 -0.022 18281 7751 1 10 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.606 -1.806 18281 7752 1 10 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.986 0.954 18281 7753 1 10 . 1 1 61 61 GLU H H 61 8.290 8.290 8.307 -0.017 18281 7754 1 10 . 1 1 62 62 GLY N N 62 110.940 110.940 106.401 4.539 18281 7755 1 10 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.634 1.566 18281 7756 1 10 . 1 1 62 62 GLY H H 62 8.870 8.870 7.544 1.326 18281 7757 1 10 . 1 1 66 66 GLY C C 66 176.930 176.930 171.286 5.644 18281 7758 1 10 . 1 1 66 66 GLY CA C 66 45.080 45.080 44.111 0.969 18281 7759 1 10 . 1 1 67 67 TYR N N 67 115.490 115.490 115.907 -0.417 18281 7760 1 10 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.584 -0.004 18281 7761 1 10 . 1 1 67 67 TYR C C 67 175.470 175.470 173.495 1.975 18281 7762 1 10 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.897 -0.977 18281 7763 1 10 . 1 1 67 67 TYR CB C 67 41.720 41.720 40.954 0.766 18281 7764 1 10 . 1 1 67 67 TYR H H 67 8.110 8.110 7.895 0.215 18281 7765 1 10 . 1 1 68 68 VAL N N 68 111.980 111.980 122.514 -10.534 18281 7766 1 10 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.565 0.455 18281 7767 1 10 . 1 1 68 68 VAL C C 68 175.480 175.480 174.983 0.497 18281 7768 1 10 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.214 -1.714 18281 7769 1 10 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.926 0.534 18281 7770 1 10 . 1 1 68 68 VAL H H 68 8.840 8.840 8.716 0.124 18281 7771 1 10 . 1 1 69 69 LYS N N 69 118.430 118.430 123.839 -5.409 18281 7772 1 10 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.195 0.505 18281 7773 1 10 . 1 1 69 69 LYS C C 69 175.740 175.740 175.104 0.636 18281 7774 1 10 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.581 0.789 18281 7775 1 10 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.583 0.997 18281 7776 1 10 . 1 1 69 69 LYS H H 69 8.590 8.590 9.143 -0.553 18281 7777 1 10 . 1 1 70 70 HIS N N 70 122.590 122.590 121.785 0.805 18281 7778 1 10 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.413 0.777 18281 7779 1 10 . 1 1 70 70 HIS C C 70 174.590 174.590 173.723 0.867 18281 7780 1 10 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.438 -3.598 18281 7781 1 10 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.519 2.491 18281 7782 1 10 . 1 1 70 70 HIS H H 70 9.160 9.160 8.656 0.504 18281 7783 1 10 . 1 1 71 71 LYS N N 71 122.760 122.760 122.793 -0.033 18281 7784 1 10 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.601 -0.111 18281 7785 1 10 . 1 1 71 71 LYS C C 71 175.500 175.500 174.780 0.720 18281 7786 1 10 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.779 0.261 18281 7787 1 10 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.642 -0.772 18281 7788 1 10 . 1 1 71 71 LYS H H 71 9.460 9.460 9.469 -0.009 18281 7789 1 10 . 1 1 72 72 ILE N N 72 127.870 127.870 125.848 2.022 18281 7790 1 10 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.297 -0.417 18281 7791 1 10 . 1 1 72 72 ILE C C 72 175.430 175.430 175.769 -0.339 18281 7792 1 10 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.556 1.843 18281 7793 1 10 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.469 -1.429 18281 7794 1 10 . 1 1 72 72 ILE H H 72 9.320 9.320 8.671 0.649 18281 7795 1 10 . 1 1 73 73 HIS N N 73 127.690 127.690 125.941 1.749 18281 7796 1 10 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.659 0.461 18281 7797 1 10 . 1 1 73 73 HIS C C 73 176.240 176.240 175.017 1.223 18281 7798 1 10 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.974 -1.004 18281 7799 1 10 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.673 0.267 18281 7800 1 10 . 1 1 73 73 HIS H H 73 9.080 9.080 8.311 0.769 18281 7801 1 10 . 1 1 74 74 SER N N 74 110.900 110.900 111.923 -1.023 18281 7802 1 10 . 1 1 74 74 SER HA H 74 4.760 4.760 4.747 0.013 18281 7803 1 10 . 1 1 74 74 SER C C 74 172.620 172.620 172.163 0.457 18281 7804 1 10 . 1 1 74 74 SER CA C 74 57.880 57.880 58.172 -0.292 18281 7805 1 10 . 1 1 74 74 SER CB C 74 66.790 66.790 66.099 0.691 18281 7806 1 10 . 1 1 74 74 SER H H 74 8.180 8.180 7.659 0.521 18281 7807 1 10 . 1 1 75 75 ILE N N 75 123.780 123.780 118.138 5.642 18281 7808 1 10 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.859 -0.178 18281 7809 1 10 . 1 1 75 75 ILE C C 75 174.010 174.010 174.437 -0.427 18281 7810 1 10 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.708 2.432 18281 7811 1 10 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.954 -0.644 18281 7812 1 10 . 1 1 75 75 ILE H H 75 8.730 8.730 8.228 0.502 18281 7813 1 10 . 1 1 76 76 ASP N N 76 127.280 127.280 126.076 1.204 18281 7814 1 10 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.056 0.024 18281 7815 1 10 . 1 1 76 76 ASP C C 76 176.680 176.680 176.050 0.630 18281 7816 1 10 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.241 -1.111 18281 7817 1 10 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.379 0.171 18281 7818 1 10 . 1 1 76 76 ASP H H 76 9.110 9.110 9.085 0.025 18281 7819 1 10 . 1 1 77 77 LYS N N 77 122.400 122.400 122.876 -0.476 18281 7820 1 10 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.768 0.212 18281 7821 1 10 . 1 1 77 77 LYS C C 77 175.980 175.980 177.801 -1.821 18281 7822 1 10 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.655 -2.235 18281 7823 1 10 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.527 0.253 18281 7824 1 10 . 1 1 77 77 LYS H H 77 8.890 8.890 8.724 0.166 18281 7825 1 10 . 1 1 78 78 VAL N N 78 119.300 119.300 117.253 2.047 18281 7826 1 10 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.548 0.112 18281 7827 1 10 . 1 1 78 78 VAL C C 78 176.290 176.290 175.676 0.614 18281 7828 1 10 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.809 -0.389 18281 7829 1 10 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.627 0.473 18281 7830 1 10 . 1 1 78 78 VAL H H 78 8.110 8.110 8.052 0.058 18281 7831 1 10 . 1 1 79 79 ASN N N 79 114.400 114.400 114.284 0.116 18281 7832 1 10 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.623 -0.143 18281 7833 1 10 . 1 1 79 79 ASN C C 79 173.670 173.670 174.310 -0.640 18281 7834 1 10 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.751 -0.211 18281 7835 1 10 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.838 1.252 18281 7836 1 10 . 1 1 79 79 ASN H H 79 7.700 7.700 7.836 -0.136 18281 7837 1 10 . 1 1 80 80 HIS N N 80 115.530 115.530 113.964 1.566 18281 7838 1 10 . 1 1 80 80 HIS C C 80 173.450 173.450 173.376 0.074 18281 7839 1 10 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.695 -0.165 18281 7840 1 10 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.584 0.616 18281 7841 1 10 . 1 1 80 80 HIS H H 80 6.980 6.980 6.861 0.119 18281 7842 1 10 . 1 1 81 81 THR N N 81 109.600 109.600 113.918 -4.318 18281 7843 1 10 . 1 1 81 81 THR HA H 81 5.730 5.730 5.104 0.626 18281 7844 1 10 . 1 1 81 81 THR C C 81 172.980 172.980 172.877 0.103 18281 7845 1 10 . 1 1 81 81 THR CA C 81 60.190 60.190 62.449 -2.259 18281 7846 1 10 . 1 1 81 81 THR CB C 81 71.740 71.740 71.669 0.071 18281 7847 1 10 . 1 1 81 81 THR H H 81 7.990 7.990 7.723 0.267 18281 7848 1 10 . 1 1 82 82 TYR N N 82 125.000 125.000 128.599 -3.599 18281 7849 1 10 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.067 0.633 18281 7850 1 10 . 1 1 82 82 TYR C C 82 173.600 173.600 173.020 0.580 18281 7851 1 10 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.110 -1.780 18281 7852 1 10 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.548 0.262 18281 7853 1 10 . 1 1 82 82 TYR H H 82 9.300 9.300 9.664 -0.364 18281 7854 1 10 . 1 1 83 83 SER N N 83 121.820 121.820 122.824 -1.004 18281 7855 1 10 . 1 1 83 83 SER HA H 83 5.670 5.670 5.095 0.575 18281 7856 1 10 . 1 1 83 83 SER C C 83 173.490 173.490 172.694 0.796 18281 7857 1 10 . 1 1 83 83 SER CA C 83 56.420 56.420 56.354 0.066 18281 7858 1 10 . 1 1 83 83 SER CB C 83 65.520 65.520 64.929 0.591 18281 7859 1 10 . 1 1 83 83 SER H H 83 9.090 9.090 8.004 1.086 18281 7860 1 10 . 1 1 84 84 TYR N N 84 122.970 122.970 124.007 -1.037 18281 7861 1 10 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.362 -0.132 18281 7862 1 10 . 1 1 84 84 TYR C C 84 172.530 172.530 173.096 -0.566 18281 7863 1 10 . 1 1 84 84 TYR CA C 84 56.420 56.420 55.749 0.670 18281 7864 1 10 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.571 -0.621 18281 7865 1 10 . 1 1 84 84 TYR H H 84 8.790 8.790 8.862 -0.072 18281 7866 1 10 . 1 1 85 85 SER N N 85 114.200 114.200 112.901 1.299 18281 7867 1 10 . 1 1 85 85 SER HA H 85 5.700 5.700 5.294 0.406 18281 7868 1 10 . 1 1 85 85 SER C C 85 173.180 173.180 172.699 0.481 18281 7869 1 10 . 1 1 85 85 SER CA C 85 57.510 57.510 56.914 0.596 18281 7870 1 10 . 1 1 85 85 SER CB C 85 65.940 65.940 67.046 -1.106 18281 7871 1 10 . 1 1 85 85 SER H H 85 9.350 9.350 9.485 -0.135 18281 7872 1 10 . 1 1 86 86 LEU N N 86 128.880 128.880 122.855 6.025 18281 7873 1 10 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.823 0.407 18281 7874 1 10 . 1 1 86 86 LEU C C 86 176.230 176.230 176.331 -0.101 18281 7875 1 10 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.540 1.050 18281 7876 1 10 . 1 1 86 86 LEU CB C 86 44.150 44.150 44.313 -0.163 18281 7877 1 10 . 1 1 86 86 LEU H H 86 9.900 9.900 8.722 1.178 18281 7878 1 10 . 1 1 87 87 ILE N N 87 115.900 115.900 126.289 -10.389 18281 7879 1 10 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.262 0.668 18281 7880 1 10 . 1 1 87 87 ILE C C 87 176.080 176.080 176.387 -0.307 18281 7881 1 10 . 1 1 87 87 ILE CA C 87 61.270 61.270 61.706 -0.436 18281 7882 1 10 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.504 1.326 18281 7883 1 10 . 1 1 87 87 ILE H H 87 8.180 8.180 9.065 -0.885 18281 7884 1 10 . 1 1 88 88 GLU N N 88 121.920 121.920 118.355 3.565 18281 7885 1 10 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.502 0.008 18281 7886 1 10 . 1 1 88 88 GLU C C 88 174.020 174.020 175.093 -1.073 18281 7887 1 10 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.954 2.086 18281 7888 1 10 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.674 2.296 18281 7889 1 10 . 1 1 88 88 GLU H H 88 7.650 7.650 7.625 0.025 18281 7890 1 10 . 1 1 89 89 GLY N N 89 111.650 111.650 108.086 3.564 18281 7891 1 10 . 1 1 89 89 GLY C C 89 173.800 173.800 174.336 -0.536 18281 7892 1 10 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.868 0.082 18281 7893 1 10 . 1 1 89 89 GLY H H 89 8.830 8.830 8.083 0.747 18281 7894 1 10 . 1 1 90 90 ASP N N 90 119.650 119.650 126.458 -6.808 18281 7895 1 10 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.237 0.122 18281 7896 1 10 . 1 1 90 90 ASP C C 90 176.570 176.570 177.101 -0.531 18281 7897 1 10 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.864 0.176 18281 7898 1 10 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.365 0.915 18281 7899 1 10 . 1 1 90 90 ASP H H 90 8.430 8.430 8.250 0.180 18281 7900 1 10 . 1 1 91 91 ALA N N 91 118.530 118.530 119.328 -0.798 18281 7901 1 10 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.203 0.037 18281 7902 1 10 . 1 1 91 91 ALA C C 91 177.740 177.740 178.647 -0.907 18281 7903 1 10 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.154 -0.944 18281 7904 1 10 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.892 0.418 18281 7905 1 10 . 1 1 91 91 ALA H H 91 7.810 7.810 8.128 -0.318 18281 7906 1 10 . 1 1 92 92 LEU N N 92 117.330 117.330 116.726 0.604 18281 7907 1 10 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.161 0.299 18281 7908 1 10 . 1 1 92 92 LEU C C 92 176.210 176.210 177.552 -1.342 18281 7909 1 10 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.395 -1.375 18281 7910 1 10 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.031 -1.821 18281 7911 1 10 . 1 1 92 92 LEU H H 92 7.600 7.600 8.039 -0.439 18281 7912 1 10 . 1 1 93 93 SER N N 93 115.780 115.780 113.207 2.573 18281 7913 1 10 . 1 1 93 93 SER HA H 93 4.620 4.620 4.036 0.584 18281 7914 1 10 . 1 1 93 93 SER C C 93 173.970 173.970 175.176 -1.206 18281 7915 1 10 . 1 1 93 93 SER CA C 93 57.730 57.730 59.276 -1.546 18281 7916 1 10 . 1 1 93 93 SER CB C 93 64.920 64.920 63.219 1.701 18281 7917 1 10 . 1 1 93 93 SER H H 93 7.910 7.910 7.608 0.302 18281 7918 1 10 . 1 1 94 94 GLU N N 94 119.400 119.400 119.782 -0.382 18281 7919 1 10 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.168 -0.008 18281 7920 1 10 . 1 1 94 94 GLU C C 94 176.570 176.570 176.235 0.335 18281 7921 1 10 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.119 1.581 18281 7922 1 10 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.417 -0.207 18281 7923 1 10 . 1 1 94 94 GLU H H 94 8.850 8.850 8.763 0.087 18281 7924 1 10 . 1 1 95 95 ASN N N 95 113.460 113.460 115.975 -2.515 18281 7925 1 10 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.753 0.047 18281 7926 1 10 . 1 1 95 95 ASN C C 95 174.070 174.070 175.059 -0.989 18281 7927 1 10 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.288 0.832 18281 7928 1 10 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.834 -0.484 18281 7929 1 10 . 1 1 95 95 ASN H H 95 8.290 8.290 7.600 0.690 18281 7930 1 10 . 1 1 96 96 ILE N N 96 120.610 120.610 121.045 -0.435 18281 7931 1 10 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.320 -0.130 18281 7932 1 10 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.866 0.064 18281 7933 1 10 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.916 -1.046 18281 7934 1 10 . 1 1 96 96 ILE H H 96 7.770 7.770 7.779 -0.009 18281 7935 1 10 . 1 1 97 97 GLU N N 97 126.670 126.670 125.697 0.973 18281 7936 1 10 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.545 0.245 18281 7937 1 10 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.128 1.072 18281 7938 1 10 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.989 1.961 18281 7939 1 10 . 1 1 97 97 GLU H H 97 8.460 8.460 9.097 -0.636 18281 7940 1 10 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.301 0.409 18281 7941 1 10 . 1 1 98 98 LYS C C 98 173.650 173.650 176.299 -2.649 18281 7942 1 10 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.493 -1.524 18281 7943 1 10 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.986 1.814 18281 7944 1 10 . 1 1 99 99 ILE N N 99 120.290 120.290 119.552 0.738 18281 7945 1 10 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.484 0.306 18281 7946 1 10 . 1 1 99 99 ILE C C 99 174.690 174.690 174.559 0.131 18281 7947 1 10 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.999 0.301 18281 7948 1 10 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.837 0.713 18281 7949 1 10 . 1 1 99 99 ILE H H 99 7.720 7.720 7.998 -0.278 18281 7950 1 10 . 1 1 100 100 ASP N N 100 126.970 126.970 125.935 1.035 18281 7951 1 10 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.845 0.255 18281 7952 1 10 . 1 1 100 100 ASP C C 100 174.490 174.490 174.142 0.348 18281 7953 1 10 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.472 0.158 18281 7954 1 10 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.201 0.649 18281 7955 1 10 . 1 1 100 100 ASP H H 100 9.220 9.220 8.870 0.350 18281 7956 1 10 . 1 1 101 101 TYR N N 101 120.640 120.640 124.215 -3.575 18281 7957 1 10 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.996 0.284 18281 7958 1 10 . 1 1 101 101 TYR C C 101 175.740 175.740 175.227 0.513 18281 7959 1 10 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.439 0.541 18281 7960 1 10 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.137 0.503 18281 7961 1 10 . 1 1 101 101 TYR H H 101 9.140 9.140 8.859 0.281 18281 7962 1 10 . 1 1 102 102 GLU N N 102 122.040 122.040 122.207 -0.167 18281 7963 1 10 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.856 0.274 18281 7964 1 10 . 1 1 102 102 GLU C C 102 175.360 175.360 175.525 -0.165 18281 7965 1 10 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.338 0.532 18281 7966 1 10 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.985 -0.915 18281 7967 1 10 . 1 1 102 102 GLU H H 102 8.670 8.670 8.781 -0.111 18281 7968 1 10 . 1 1 103 103 THR N N 103 125.840 125.840 120.015 5.825 18281 7969 1 10 . 1 1 103 103 THR HA H 103 5.580 5.580 5.256 0.324 18281 7970 1 10 . 1 1 103 103 THR C C 103 172.780 172.780 173.113 -0.333 18281 7971 1 10 . 1 1 103 103 THR CA C 103 62.150 62.150 61.430 0.720 18281 7972 1 10 . 1 1 103 103 THR CB C 103 71.750 71.750 71.752 -0.002 18281 7973 1 10 . 1 1 103 103 THR H H 103 9.550 9.550 9.364 0.186 18281 7974 1 10 . 1 1 104 104 LYS N N 104 126.990 126.990 127.264 -0.274 18281 7975 1 10 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.925 0.315 18281 7976 1 10 . 1 1 104 104 LYS C C 104 174.300 174.300 174.109 0.191 18281 7977 1 10 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.436 -0.106 18281 7978 1 10 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.320 -0.380 18281 7979 1 10 . 1 1 104 104 LYS H H 104 9.430 9.430 8.588 0.842 18281 7980 1 10 . 1 1 105 105 LEU N N 105 124.700 124.700 127.417 -2.717 18281 7981 1 10 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.632 0.578 18281 7982 1 10 . 1 1 105 105 LEU C C 105 175.780 175.780 176.007 -0.227 18281 7983 1 10 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.425 0.195 18281 7984 1 10 . 1 1 105 105 LEU CB C 105 41.950 41.950 43.038 -1.088 18281 7985 1 10 . 1 1 105 105 LEU H H 105 8.410 8.410 8.470 -0.060 18281 7986 1 10 . 1 1 106 106 VAL N N 106 123.290 123.290 123.461 -0.171 18281 7987 1 10 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.368 0.062 18281 7988 1 10 . 1 1 106 106 VAL C C 106 175.560 175.560 174.351 1.209 18281 7989 1 10 . 1 1 106 106 VAL CA C 106 60.470 60.470 61.392 -0.922 18281 7990 1 10 . 1 1 106 106 VAL CB C 106 35.020 35.020 36.514 -1.494 18281 7991 1 10 . 1 1 106 106 VAL H H 106 9.180 9.180 9.278 -0.098 18281 7992 1 10 . 1 1 107 107 SER N N 107 121.800 121.800 120.048 1.752 18281 7993 1 10 . 1 1 107 107 SER HA H 107 4.660 4.660 4.731 -0.071 18281 7994 1 10 . 1 1 107 107 SER C C 107 173.600 173.600 173.596 0.004 18281 7995 1 10 . 1 1 107 107 SER CA C 107 59.860 59.860 57.013 2.847 18281 7996 1 10 . 1 1 107 107 SER CB C 107 63.250 63.250 64.234 -0.984 18281 7997 1 10 . 1 1 107 107 SER H H 107 8.910 8.910 8.408 0.502 18281 7998 1 10 . 1 1 108 108 ALA N N 108 129.210 129.210 128.347 0.863 18281 7999 1 10 . 1 1 108 108 ALA HA H 108 4.630 4.630 5.019 -0.389 18281 8000 1 10 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.922 0.698 18281 8001 1 10 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.635 0.165 18281 8002 1 10 . 1 1 108 108 ALA H H 108 8.310 8.310 8.283 0.027 18281 8003 1 10 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.348 0.072 18281 8004 1 10 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.803 -1.103 18281 8005 1 10 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.900 0.300 18281 8006 1 10 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.469 0.301 18281 8007 1 10 . 1 1 110 110 HIS C C 110 175.760 175.760 175.957 -0.197 18281 8008 1 10 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.341 -0.951 18281 8009 1 10 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.129 -0.719 18281 8010 1 10 . 1 1 111 111 GLY N N 111 108.720 108.720 106.068 2.652 18281 8011 1 10 . 1 1 111 111 GLY C C 111 174.390 174.390 174.325 0.065 18281 8012 1 10 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.029 0.101 18281 8013 1 10 . 1 1 111 111 GLY H H 111 7.730 7.730 7.757 -0.027 18281 8014 1 10 . 1 1 112 112 GLY N N 112 107.670 107.670 108.867 -1.197 18281 8015 1 10 . 1 1 112 112 GLY C C 112 174.150 174.150 173.208 0.942 18281 8016 1 10 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.758 -0.338 18281 8017 1 10 . 1 1 112 112 GLY H H 112 7.600 7.600 7.926 -0.326 18281 8018 1 10 . 1 1 113 113 THR N N 113 119.830 119.830 116.542 3.288 18281 8019 1 10 . 1 1 113 113 THR HA H 113 5.060 5.060 4.837 0.223 18281 8020 1 10 . 1 1 113 113 THR C C 113 173.250 173.250 173.584 -0.334 18281 8021 1 10 . 1 1 113 113 THR CA C 113 62.990 62.990 62.160 0.830 18281 8022 1 10 . 1 1 113 113 THR CB C 113 72.270 72.270 71.064 1.206 18281 8023 1 10 . 1 1 113 113 THR H H 113 9.070 9.070 8.078 0.992 18281 8024 1 10 . 1 1 114 114 ILE N N 114 127.600 127.600 127.402 0.198 18281 8025 1 10 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.478 0.032 18281 8026 1 10 . 1 1 114 114 ILE C C 114 174.370 174.370 174.449 -0.079 18281 8027 1 10 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.806 0.354 18281 8028 1 10 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.967 0.003 18281 8029 1 10 . 1 1 114 114 ILE H H 114 9.490 9.490 9.318 0.172 18281 8030 1 10 . 1 1 115 115 ILE N N 115 129.200 129.200 126.835 2.365 18281 8031 1 10 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.835 -0.335 18281 8032 1 10 . 1 1 115 115 ILE C C 115 175.000 175.000 174.839 0.161 18281 8033 1 10 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.136 1.264 18281 8034 1 10 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.531 -2.531 18281 8035 1 10 . 1 1 115 115 ILE H H 115 9.220 9.220 9.302 -0.082 18281 8036 1 10 . 1 1 116 116 LYS N N 116 127.550 127.550 128.632 -1.082 18281 8037 1 10 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.161 0.009 18281 8038 1 10 . 1 1 116 116 LYS C C 116 176.300 176.300 175.671 0.629 18281 8039 1 10 . 1 1 116 116 LYS CA C 116 55.370 55.370 55.095 0.275 18281 8040 1 10 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.656 -0.076 18281 8041 1 10 . 1 1 116 116 LYS H H 116 9.130 9.130 8.674 0.456 18281 8042 1 10 . 1 1 117 117 THR N N 117 120.940 120.940 122.590 -1.650 18281 8043 1 10 . 1 1 117 117 THR HA H 117 5.730 5.730 5.252 0.478 18281 8044 1 10 . 1 1 117 117 THR C C 117 174.620 174.620 173.628 0.992 18281 8045 1 10 . 1 1 117 117 THR CA C 117 60.990 60.990 61.356 -0.366 18281 8046 1 10 . 1 1 117 117 THR CB C 117 71.750 71.750 71.358 0.393 18281 8047 1 10 . 1 1 117 117 THR H H 117 9.020 9.020 8.668 0.352 18281 8048 1 10 . 1 1 118 118 THR N N 118 125.750 125.750 122.595 3.155 18281 8049 1 10 . 1 1 118 118 THR HA H 118 5.170 5.170 5.291 -0.121 18281 8050 1 10 . 1 1 118 118 THR C C 118 173.760 173.760 172.999 0.761 18281 8051 1 10 . 1 1 118 118 THR CA C 118 61.800 61.800 61.492 0.308 18281 8052 1 10 . 1 1 118 118 THR CB C 118 70.720 70.720 71.001 -0.281 18281 8053 1 10 . 1 1 118 118 THR H H 118 9.500 9.500 8.782 0.718 18281 8054 1 10 . 1 1 119 119 SER N N 119 122.250 122.250 120.934 1.316 18281 8055 1 10 . 1 1 119 119 SER HA H 119 5.270 5.270 4.809 0.461 18281 8056 1 10 . 1 1 119 119 SER C C 119 172.960 172.960 172.381 0.579 18281 8057 1 10 . 1 1 119 119 SER CA C 119 55.860 55.860 57.027 -1.167 18281 8058 1 10 . 1 1 119 119 SER CB C 119 66.720 66.720 64.695 2.025 18281 8059 1 10 . 1 1 119 119 SER H H 119 9.410 9.410 8.781 0.629 18281 8060 1 10 . 1 1 120 120 LYS N N 120 124.120 124.120 128.146 -4.026 18281 8061 1 10 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.625 0.615 18281 8062 1 10 . 1 1 120 120 LYS C C 120 174.780 174.780 173.811 0.969 18281 8063 1 10 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.102 -0.272 18281 8064 1 10 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.340 -0.180 18281 8065 1 10 . 1 1 120 120 LYS H H 120 9.150 9.150 8.051 1.099 18281 8066 1 10 . 1 1 121 121 TYR N N 121 126.500 126.500 121.869 4.631 18281 8067 1 10 . 1 1 121 121 TYR CA C 121 58.000 58.000 54.982 3.018 18281 8068 1 10 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.151 -0.951 18281 8069 1 10 . 1 1 121 121 TYR H H 121 9.800 9.800 8.101 1.699 18281 8070 1 10 . 1 1 122 122 HIS C C 122 174.670 174.670 174.840 -0.170 18281 8071 1 10 . 1 1 123 123 THR N N 123 125.750 125.750 110.885 14.865 18281 8072 1 10 . 1 1 123 123 THR HA H 123 5.400 5.400 4.714 0.686 18281 8073 1 10 . 1 1 123 123 THR C C 123 174.460 174.460 174.985 -0.525 18281 8074 1 10 . 1 1 123 123 THR CA C 123 60.230 60.230 59.886 0.344 18281 8075 1 10 . 1 1 123 123 THR CB C 123 71.260 71.260 71.950 -0.690 18281 8076 1 10 . 1 1 123 123 THR H H 123 8.920 8.920 8.307 0.613 18281 8077 1 10 . 1 1 124 124 LYS N N 124 121.170 121.170 120.956 0.214 18281 8078 1 10 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.249 0.511 18281 8079 1 10 . 1 1 124 124 LYS C C 124 176.450 176.450 177.544 -1.094 18281 8080 1 10 . 1 1 124 124 LYS CA C 124 55.510 55.510 57.554 -2.044 18281 8081 1 10 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.639 1.261 18281 8082 1 10 . 1 1 124 124 LYS H H 124 8.590 8.590 8.416 0.174 18281 8083 1 10 . 1 1 125 125 GLY N N 125 110.070 110.070 105.594 4.476 18281 8084 1 10 . 1 1 125 125 GLY C C 125 173.620 173.620 173.291 0.329 18281 8085 1 10 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.020 0.250 18281 8086 1 10 . 1 1 125 125 GLY H H 125 8.390 8.390 7.858 0.532 18281 8087 1 10 . 1 1 126 126 ASP N N 126 120.070 120.070 119.128 0.942 18281 8088 1 10 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.247 0.423 18281 8089 1 10 . 1 1 126 126 ASP C C 126 175.580 175.580 177.168 -1.588 18281 8090 1 10 . 1 1 126 126 ASP CA C 126 54.290 54.290 55.198 -0.908 18281 8091 1 10 . 1 1 126 126 ASP CB C 126 40.360 40.360 39.676 0.684 18281 8092 1 10 . 1 1 126 126 ASP H H 126 8.440 8.440 8.375 0.065 18281 8093 1 10 . 1 1 127 127 VAL N N 127 119.620 119.620 118.781 0.839 18281 8094 1 10 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.810 0.430 18281 8095 1 10 . 1 1 127 127 VAL C C 127 174.610 174.610 176.773 -2.163 18281 8096 1 10 . 1 1 127 127 VAL CA C 127 61.230 61.230 65.297 -4.067 18281 8097 1 10 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.462 1.788 18281 8098 1 10 . 1 1 127 127 VAL H H 127 7.620 7.620 8.483 -0.863 18281 8099 1 10 . 1 1 128 128 GLU N N 128 125.030 125.030 117.244 7.786 18281 8100 1 10 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.358 -0.228 18281 8101 1 10 . 1 1 128 128 GLU C C 128 175.680 175.680 174.723 0.957 18281 8102 1 10 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.468 -0.928 18281 8103 1 10 . 1 1 128 128 GLU CB C 128 30.790 30.790 29.732 1.058 18281 8104 1 10 . 1 1 128 128 GLU H H 128 8.330 8.330 8.100 0.230 18281 8105 1 10 . 1 1 129 129 ILE N N 129 124.070 124.070 121.882 2.188 18281 8106 1 10 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.365 -0.405 18281 8107 1 10 . 1 1 129 129 ILE C C 129 175.960 175.960 174.029 1.931 18281 8108 1 10 . 1 1 129 129 ILE CA C 129 59.350 59.350 60.439 -1.089 18281 8109 1 10 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.170 -3.490 18281 8110 1 10 . 1 1 129 129 ILE H H 129 7.380 7.380 8.175 -0.794 18281 8111 1 10 . 1 1 130 130 LYS N N 130 127.800 127.800 122.548 5.252 18281 8112 1 10 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.713 -0.433 18281 8113 1 10 . 1 1 130 130 LYS C C 130 177.660 177.660 176.402 1.258 18281 8114 1 10 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.535 0.315 18281 8115 1 10 . 1 1 130 130 LYS CB C 130 32.810 32.810 34.472 -1.662 18281 8116 1 10 . 1 1 130 130 LYS H H 130 8.790 8.790 8.514 0.276 18281 8117 1 10 . 1 1 131 131 GLU N N 131 125.060 125.060 125.831 -0.771 18281 8118 1 10 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.938 -0.128 18281 8119 1 10 . 1 1 131 131 GLU C C 131 178.630 178.630 178.047 0.583 18281 8120 1 10 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.346 -0.837 18281 8121 1 10 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.780 -0.480 18281 8122 1 10 . 1 1 131 131 GLU H H 131 8.880 8.880 9.182 -0.302 18281 8123 1 10 . 1 1 132 132 GLU N N 132 117.220 117.220 117.253 -0.033 18281 8124 1 10 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.027 -0.047 18281 8125 1 10 . 1 1 132 132 GLU C C 132 178.630 178.630 178.824 -0.194 18281 8126 1 10 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.201 0.409 18281 8127 1 10 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.195 -0.215 18281 8128 1 10 . 1 1 132 132 GLU H H 132 9.200 9.200 8.962 0.238 18281 8129 1 10 . 1 1 133 133 HIS N N 133 119.810 119.810 120.022 -0.212 18281 8130 1 10 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.309 0.161 18281 8131 1 10 . 1 1 133 133 HIS C C 133 178.430 178.430 177.452 0.978 18281 8132 1 10 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.522 -0.392 18281 8133 1 10 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.646 1.674 18281 8134 1 10 . 1 1 133 133 HIS H H 133 7.500 7.500 7.711 -0.211 18281 8135 1 10 . 1 1 134 134 VAL N N 134 120.370 120.370 119.107 1.263 18281 8136 1 10 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.393 0.257 18281 8137 1 10 . 1 1 134 134 VAL C C 134 179.170 179.170 177.671 1.499 18281 8138 1 10 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.985 -0.805 18281 8139 1 10 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.704 1.006 18281 8140 1 10 . 1 1 134 134 VAL H H 134 7.290 7.290 7.927 -0.637 18281 8141 1 10 . 1 1 135 135 LYS N N 135 121.310 121.310 120.138 1.172 18281 8142 1 10 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.869 0.091 18281 8143 1 10 . 1 1 135 135 LYS C C 135 178.310 178.310 178.570 -0.260 18281 8144 1 10 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.687 -0.357 18281 8145 1 10 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.360 -0.180 18281 8146 1 10 . 1 1 135 135 LYS H H 135 8.310 8.310 8.246 0.064 18281 8147 1 10 . 1 1 136 136 ALA N N 136 121.150 121.150 120.400 0.750 18281 8148 1 10 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.028 0.202 18281 8149 1 10 . 1 1 136 136 ALA C C 136 180.930 180.930 179.615 1.315 18281 8150 1 10 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.974 0.046 18281 8151 1 10 . 1 1 136 136 ALA CB C 136 17.750 17.750 17.951 -0.201 18281 8152 1 10 . 1 1 136 136 ALA H H 136 7.950 7.950 7.959 -0.009 18281 8153 1 10 . 1 1 137 137 GLY N N 137 105.640 105.640 105.598 0.042 18281 8154 1 10 . 1 1 137 137 GLY C C 137 177.000 177.000 175.957 1.043 18281 8155 1 10 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.118 0.042 18281 8156 1 10 . 1 1 137 137 GLY H H 137 7.930 7.930 7.820 0.110 18281 8157 1 10 . 1 1 138 138 LYS N N 138 124.210 124.210 121.091 3.119 18281 8158 1 10 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.993 0.237 18281 8159 1 10 . 1 1 138 138 LYS C C 138 178.860 178.860 178.734 0.126 18281 8160 1 10 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.856 -0.066 18281 8161 1 10 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.150 0.520 18281 8162 1 10 . 1 1 138 138 LYS H H 138 7.960 7.960 7.309 0.651 18281 8163 1 10 . 1 1 139 139 GLU N N 139 119.720 119.720 120.036 -0.316 18281 8164 1 10 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.080 0.060 18281 8165 1 10 . 1 1 139 139 GLU C C 139 179.710 179.710 178.739 0.971 18281 8166 1 10 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.182 -0.002 18281 8167 1 10 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.152 0.148 18281 8168 1 10 . 1 1 139 139 GLU H H 139 8.370 8.370 7.894 0.476 18281 8169 1 10 . 1 1 140 140 LYS N N 140 120.270 120.270 119.580 0.690 18281 8170 1 10 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.930 0.180 18281 8171 1 10 . 1 1 140 140 LYS C C 140 179.210 179.210 179.059 0.151 18281 8172 1 10 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.870 -0.260 18281 8173 1 10 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.261 0.119 18281 8174 1 10 . 1 1 140 140 LYS H H 140 8.140 8.140 7.981 0.159 18281 8175 1 10 . 1 1 141 141 ALA N N 141 121.910 121.910 121.217 0.693 18281 8176 1 10 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.245 -0.205 18281 8177 1 10 . 1 1 141 141 ALA C C 141 179.530 179.530 179.657 -0.127 18281 8178 1 10 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.801 0.219 18281 8179 1 10 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.216 0.164 18281 8180 1 10 . 1 1 141 141 ALA H H 141 7.730 7.730 7.694 0.036 18281 8181 1 10 . 1 1 142 142 ALA N N 142 120.440 120.440 121.436 -0.996 18281 8182 1 10 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.850 0.030 18281 8183 1 10 . 1 1 142 142 ALA C C 142 180.080 180.080 178.591 1.489 18281 8184 1 10 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.987 -0.087 18281 8185 1 10 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.125 0.105 18281 8186 1 10 . 1 1 142 142 ALA H H 142 8.280 8.280 8.268 0.012 18281 8187 1 10 . 1 1 143 143 HIS N N 143 118.280 118.280 119.497 -1.217 18281 8188 1 10 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.254 0.096 18281 8189 1 10 . 1 1 143 143 HIS C C 143 177.350 177.350 177.777 -0.427 18281 8190 1 10 . 1 1 143 143 HIS CA C 143 59.430 59.430 60.188 -0.758 18281 8191 1 10 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.994 0.756 18281 8192 1 10 . 1 1 143 143 HIS H H 143 8.030 8.030 8.396 -0.366 18281 8193 1 10 . 1 1 144 144 LEU N N 144 118.820 118.820 118.921 -0.101 18281 8194 1 10 . 1 1 144 144 LEU HA H 144 3.910 3.910 4.063 -0.153 18281 8195 1 10 . 1 1 144 144 LEU C C 144 179.040 179.040 178.970 0.070 18281 8196 1 10 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.499 0.581 18281 8197 1 10 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.666 -0.706 18281 8198 1 10 . 1 1 144 144 LEU H H 144 7.700 7.700 7.818 -0.118 18281 8199 1 10 . 1 1 145 145 PHE N N 145 116.920 116.920 120.034 -3.114 18281 8200 1 10 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.028 -0.028 18281 8201 1 10 . 1 1 145 145 PHE C C 145 177.900 177.900 176.919 0.981 18281 8202 1 10 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.899 0.251 18281 8203 1 10 . 1 1 145 145 PHE CB C 145 37.750 37.750 38.955 -1.205 18281 8204 1 10 . 1 1 145 145 PHE H H 145 8.100 8.100 8.278 -0.178 18281 8205 1 10 . 1 1 146 146 LYS N N 146 119.710 119.710 119.567 0.143 18281 8206 1 10 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.157 -0.027 18281 8207 1 10 . 1 1 146 146 LYS C C 146 177.750 177.750 178.661 -0.911 18281 8208 1 10 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.451 -0.551 18281 8209 1 10 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.222 0.058 18281 8210 1 10 . 1 1 146 146 LYS H H 146 8.040 8.040 7.649 0.391 18281 8211 1 10 . 1 1 147 147 LEU N N 147 118.970 118.970 119.521 -0.551 18281 8212 1 10 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.044 -0.044 18281 8213 1 10 . 1 1 147 147 LEU C C 147 180.460 180.460 179.233 1.227 18281 8214 1 10 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.385 0.085 18281 8215 1 10 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.922 1.478 18281 8216 1 10 . 1 1 147 147 LEU H H 147 7.960 7.960 7.335 0.625 18281 8217 1 10 . 1 1 148 148 ILE N N 148 121.410 121.410 120.141 1.269 18281 8218 1 10 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.410 0.130 18281 8219 1 10 . 1 1 148 148 ILE C C 148 177.030 177.030 177.944 -0.914 18281 8220 1 10 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.907 -0.507 18281 8221 1 10 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.214 0.476 18281 8222 1 10 . 1 1 148 148 ILE H H 148 8.200 8.200 7.718 0.482 18281 8223 1 10 . 1 1 149 149 GLU N N 149 120.450 120.450 119.189 1.261 18281 8224 1 10 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.904 -0.224 18281 8225 1 10 . 1 1 149 149 GLU C C 149 178.540 178.540 179.464 -0.924 18281 8226 1 10 . 1 1 149 149 GLU CA C 149 60.320 60.320 60.191 0.129 18281 8227 1 10 . 1 1 149 149 GLU CB C 149 28.830 28.830 28.879 -0.049 18281 8228 1 10 . 1 1 149 149 GLU H H 149 8.680 8.680 7.625 1.055 18281 8229 1 10 . 1 1 150 150 GLY N N 150 104.450 104.450 107.307 -2.857 18281 8230 1 10 . 1 1 150 150 GLY C C 150 175.670 175.670 175.834 -0.164 18281 8231 1 10 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.585 0.665 18281 8232 1 10 . 1 1 150 150 GLY H H 150 8.180 8.180 7.778 0.402 18281 8233 1 10 . 1 1 151 151 TYR N N 151 122.120 122.120 124.412 -2.292 18281 8234 1 10 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.105 0.275 18281 8235 1 10 . 1 1 151 151 TYR C C 151 179.360 179.360 177.347 2.013 18281 8236 1 10 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.233 0.088 18281 8237 1 10 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.655 -2.265 18281 8238 1 10 . 1 1 151 151 TYR H H 151 7.910 7.910 8.474 -0.564 18281 8239 1 10 . 1 1 152 152 LEU N N 152 120.020 120.020 118.938 1.082 18281 8240 1 10 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.114 -0.084 18281 8241 1 10 . 1 1 152 152 LEU C C 152 180.320 180.320 178.409 1.911 18281 8242 1 10 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.634 0.126 18281 8243 1 10 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.993 -0.993 18281 8244 1 10 . 1 1 152 152 LEU H H 152 8.630 8.630 7.977 0.653 18281 8245 1 10 . 1 1 153 153 LYS N N 153 119.730 119.730 118.180 1.550 18281 8246 1 10 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.920 0.050 18281 8247 1 10 . 1 1 153 153 LYS C C 153 178.150 178.150 178.185 -0.035 18281 8248 1 10 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.046 0.354 18281 8249 1 10 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.407 -0.057 18281 8250 1 10 . 1 1 153 153 LYS H H 153 8.260 8.260 7.761 0.499 18281 8251 1 10 . 1 1 154 154 ASP N N 154 117.020 117.020 117.621 -0.601 18281 8252 1 10 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.508 -0.508 18281 8253 1 10 . 1 1 154 154 ASP C C 154 175.660 175.660 176.499 -0.839 18281 8254 1 10 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.632 -0.602 18281 8255 1 10 . 1 1 154 154 ASP H H 154 7.560 7.560 7.856 -0.296 18281 8256 1 10 . 1 1 155 155 HIS N N 155 117.160 117.160 118.697 -1.537 18281 8257 1 10 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.772 0.128 18281 8258 1 10 . 1 1 155 155 HIS CA C 155 54.150 54.150 52.384 1.766 18281 8259 1 10 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.683 -1.693 18281 8260 1 10 . 1 1 155 155 HIS H H 155 7.430 7.430 7.587 -0.157 18281 8261 1 11 . 1 1 3 3 VAL N N 3 119.910 119.910 121.675 -1.765 18281 8262 1 11 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.323 0.597 18281 8263 1 11 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.368 -0.348 18281 8264 1 11 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.965 1.165 18281 8265 1 11 . 1 1 3 3 VAL H H 3 7.630 7.630 7.852 -0.222 18281 8266 1 11 . 1 1 4 4 TYR N N 4 119.930 119.930 123.702 -3.772 18281 8267 1 11 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.785 -0.115 18281 8268 1 11 . 1 1 4 4 TYR C C 4 174.670 174.670 175.616 -0.946 18281 8269 1 11 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.857 0.613 18281 8270 1 11 . 1 1 4 4 TYR CB C 4 41.270 41.270 41.031 0.239 18281 8271 1 11 . 1 1 4 4 TYR H H 4 8.660 8.660 8.325 0.335 18281 8272 1 11 . 1 1 5 5 THR N N 5 119.930 119.930 118.128 1.802 18281 8273 1 11 . 1 1 5 5 THR HA H 5 5.290 5.290 4.767 0.523 18281 8274 1 11 . 1 1 5 5 THR C C 5 173.180 173.180 173.439 -0.259 18281 8275 1 11 . 1 1 5 5 THR CA C 5 61.780 61.780 61.840 -0.060 18281 8276 1 11 . 1 1 5 5 THR CB C 5 70.360 70.360 69.908 0.452 18281 8277 1 11 . 1 1 5 5 THR H H 5 8.230 8.230 8.439 -0.209 18281 8278 1 11 . 1 1 6 6 TYR N N 6 125.060 125.060 126.687 -1.627 18281 8279 1 11 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.780 0.510 18281 8280 1 11 . 1 1 6 6 TYR C C 6 174.380 174.380 173.341 1.039 18281 8281 1 11 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.892 0.218 18281 8282 1 11 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.151 -0.301 18281 8283 1 11 . 1 1 6 6 TYR H H 6 9.210 9.210 8.533 0.677 18281 8284 1 11 . 1 1 7 7 GLU N N 7 122.360 122.360 127.187 -4.827 18281 8285 1 11 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.645 0.715 18281 8286 1 11 . 1 1 7 7 GLU C C 7 175.390 175.390 174.499 0.891 18281 8287 1 11 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.670 0.310 18281 8288 1 11 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.083 0.967 18281 8289 1 11 . 1 1 7 7 GLU H H 7 8.830 8.830 7.970 0.860 18281 8290 1 11 . 1 1 8 8 ASN N N 8 119.960 119.960 124.506 -4.546 18281 8291 1 11 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.059 0.041 18281 8292 1 11 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.095 0.525 18281 8293 1 11 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.412 1.798 18281 8294 1 11 . 1 1 8 8 ASN H H 8 8.800 8.800 9.229 -0.429 18281 8295 1 11 . 1 1 9 9 GLU N N 9 121.420 121.420 124.184 -2.764 18281 8296 1 11 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.764 0.836 18281 8297 1 11 . 1 1 9 9 GLU C C 9 174.590 174.590 175.111 -0.521 18281 8298 1 11 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.724 -0.953 18281 8299 1 11 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.693 2.057 18281 8300 1 11 . 1 1 9 9 GLU H H 9 8.330 8.330 8.724 -0.394 18281 8301 1 11 . 1 1 10 10 PHE N N 10 121.240 121.240 126.004 -4.764 18281 8302 1 11 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.908 0.112 18281 8303 1 11 . 1 1 10 10 PHE C C 10 173.880 173.880 173.028 0.852 18281 8304 1 11 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.205 -1.655 18281 8305 1 11 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.431 -1.961 18281 8306 1 11 . 1 1 10 10 PHE H H 10 8.760 8.760 8.730 0.030 18281 8307 1 11 . 1 1 11 11 THR N N 11 113.110 113.110 115.584 -2.474 18281 8308 1 11 . 1 1 11 11 THR HA H 11 5.170 5.170 5.010 0.160 18281 8309 1 11 . 1 1 11 11 THR C C 11 173.530 173.530 173.161 0.369 18281 8310 1 11 . 1 1 11 11 THR CA C 11 60.940 60.940 59.703 1.237 18281 8311 1 11 . 1 1 11 11 THR CB C 11 71.260 71.260 71.312 -0.052 18281 8312 1 11 . 1 1 11 11 THR H H 11 8.470 8.470 7.148 1.322 18281 8313 1 11 . 1 1 12 12 SER N N 12 115.490 115.490 116.648 -1.158 18281 8314 1 11 . 1 1 12 12 SER C C 12 173.530 173.530 172.735 0.795 18281 8315 1 11 . 1 1 12 12 SER CA C 12 56.460 56.460 56.722 -0.262 18281 8316 1 11 . 1 1 12 12 SER CB C 12 66.320 66.320 65.554 0.766 18281 8317 1 11 . 1 1 12 12 SER H H 12 8.870 8.870 8.823 0.047 18281 8318 1 11 . 1 1 13 13 ASP N N 13 126.650 126.650 121.341 5.309 18281 8319 1 11 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.704 0.036 18281 8320 1 11 . 1 1 13 13 ASP C C 13 174.520 174.520 176.324 -1.804 18281 8321 1 11 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.016 1.014 18281 8322 1 11 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.397 -0.397 18281 8323 1 11 . 1 1 13 13 ASP H H 13 9.060 9.060 8.618 0.442 18281 8324 1 11 . 1 1 14 14 ILE N N 14 123.580 123.580 115.658 7.922 18281 8325 1 11 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.973 0.377 18281 8326 1 11 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.443 -4.053 18281 8327 1 11 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.328 0.012 18281 8328 1 11 . 1 1 14 14 ILE H H 14 8.470 8.470 8.235 0.235 18281 8329 1 11 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.684 -0.244 18281 8330 1 11 . 1 1 15 15 PRO C C 15 177.130 177.130 177.816 -0.686 18281 8331 1 11 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.707 0.363 18281 8332 1 11 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.474 0.976 18281 8333 1 11 . 1 1 16 16 ALA N N 16 126.780 126.780 126.451 0.329 18281 8334 1 11 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.011 -0.011 18281 8335 1 11 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.176 -0.076 18281 8336 1 11 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.128 0.172 18281 8337 1 11 . 1 1 16 16 ALA H H 16 8.570 8.570 8.410 0.160 18281 8338 1 11 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.412 -0.512 18281 8339 1 11 . 1 1 17 17 PRO C C 17 179.610 179.610 179.222 0.388 18281 8340 1 11 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.541 0.469 18281 8341 1 11 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.259 -0.359 18281 8342 1 11 . 1 1 18 18 LYS N N 18 116.630 116.630 118.761 -2.131 18281 8343 1 11 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.177 -0.037 18281 8344 1 11 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.523 -0.253 18281 8345 1 11 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.860 0.459 18281 8346 1 11 . 1 1 18 18 LYS H H 18 6.710 6.710 8.084 -1.374 18281 8347 1 11 . 1 1 19 19 LEU N N 19 118.930 118.930 120.829 -1.899 18281 8348 1 11 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.253 -0.413 18281 8349 1 11 . 1 1 19 19 LEU C C 19 178.380 178.380 178.170 0.210 18281 8350 1 11 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.922 0.507 18281 8351 1 11 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.926 0.164 18281 8352 1 11 . 1 1 19 19 LEU H H 19 7.950 7.950 8.251 -0.301 18281 8353 1 11 . 1 1 20 20 PHE N N 20 118.660 118.660 119.852 -1.192 18281 8354 1 11 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.113 -0.263 18281 8355 1 11 . 1 1 20 20 PHE C C 20 177.680 177.680 177.336 0.344 18281 8356 1 11 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.950 0.930 18281 8357 1 11 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.237 0.183 18281 8358 1 11 . 1 1 20 20 PHE H H 20 9.040 9.040 8.659 0.381 18281 8359 1 11 . 1 1 21 21 LYS N N 21 118.430 118.430 120.068 -1.638 18281 8360 1 11 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.023 -0.253 18281 8361 1 11 . 1 1 21 21 LYS C C 21 176.400 176.400 178.181 -1.781 18281 8362 1 11 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.641 0.519 18281 8363 1 11 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.672 0.328 18281 8364 1 11 . 1 1 21 21 LYS H H 21 7.630 7.630 8.095 -0.465 18281 8365 1 11 . 1 1 22 22 ALA N N 22 118.710 118.710 119.311 -0.601 18281 8366 1 11 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.395 0.375 18281 8367 1 11 . 1 1 22 22 ALA C C 22 175.450 175.450 178.116 -2.666 18281 8368 1 11 . 1 1 22 22 ALA CA C 22 55.540 55.540 53.665 1.875 18281 8369 1 11 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.426 1.774 18281 8370 1 11 . 1 1 22 22 ALA H H 22 7.390 7.390 7.591 -0.201 18281 8371 1 11 . 1 1 23 23 PHE N N 23 109.720 109.720 117.140 -7.420 18281 8372 1 11 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.288 -0.048 18281 8373 1 11 . 1 1 23 23 PHE C C 23 174.130 174.130 175.238 -1.108 18281 8374 1 11 . 1 1 23 23 PHE CA C 23 58.320 58.320 59.826 -1.506 18281 8375 1 11 . 1 1 23 23 PHE CB C 23 40.440 40.440 41.128 -0.688 18281 8376 1 11 . 1 1 23 23 PHE H H 23 8.400 8.400 7.544 0.856 18281 8377 1 11 . 1 1 24 24 VAL N N 24 113.250 113.250 113.864 -0.614 18281 8378 1 11 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.398 -0.078 18281 8379 1 11 . 1 1 24 24 VAL C C 24 177.660 177.660 176.622 1.038 18281 8380 1 11 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.574 -0.074 18281 8381 1 11 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.548 -1.668 18281 8382 1 11 . 1 1 24 24 VAL H H 24 7.220 7.220 7.332 -0.112 18281 8383 1 11 . 1 1 25 25 LEU N N 25 116.250 116.250 119.657 -3.407 18281 8384 1 11 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.071 -0.181 18281 8385 1 11 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.816 0.094 18281 8386 1 11 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.014 -1.014 18281 8387 1 11 . 1 1 25 25 LEU H H 25 7.180 7.180 7.521 -0.341 18281 8388 1 11 . 1 1 26 26 ASP N N 26 117.160 117.160 115.967 1.193 18281 8389 1 11 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.729 0.572 18281 8390 1 11 . 1 1 26 26 ASP C C 26 177.300 177.300 176.406 0.894 18281 8391 1 11 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.416 -1.246 18281 8392 1 11 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.811 2.109 18281 8393 1 11 . 1 1 26 26 ASP H H 26 8.070 8.070 7.654 0.416 18281 8394 1 11 . 1 1 27 27 ALA N N 27 123.040 123.040 123.097 -0.057 18281 8395 1 11 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.747 0.013 18281 8396 1 11 . 1 1 27 27 ALA C C 27 178.900 178.900 178.968 -0.068 18281 8397 1 11 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.685 1.355 18281 8398 1 11 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.470 0.960 18281 8399 1 11 . 1 1 27 27 ALA H H 27 6.360 6.360 6.902 -0.542 18281 8400 1 11 . 1 1 28 28 ASP N N 28 115.060 115.060 118.213 -3.153 18281 8401 1 11 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.188 -0.208 18281 8402 1 11 . 1 1 28 28 ASP C C 28 175.850 175.850 176.797 -0.947 18281 8403 1 11 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.081 -1.541 18281 8404 1 11 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.230 -0.590 18281 8405 1 11 . 1 1 28 28 ASP H H 28 8.290 8.290 8.291 -0.001 18281 8406 1 11 . 1 1 29 29 ASN N N 29 113.110 113.110 115.588 -2.478 18281 8407 1 11 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.658 0.072 18281 8408 1 11 . 1 1 29 29 ASN C C 29 176.430 176.430 177.236 -0.806 18281 8409 1 11 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.044 -0.434 18281 8410 1 11 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.017 1.243 18281 8411 1 11 . 1 1 29 29 ASN H H 29 7.360 7.360 7.872 -0.512 18281 8412 1 11 . 1 1 30 30 LEU N N 30 120.630 120.630 122.657 -2.027 18281 8413 1 11 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.786 0.234 18281 8414 1 11 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.857 -0.057 18281 8415 1 11 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.618 1.162 18281 8416 1 11 . 1 1 30 30 LEU H H 30 8.320 8.320 8.536 -0.216 18281 8417 1 11 . 1 1 31 31 ILE N N 31 116.170 116.170 119.538 -3.368 18281 8418 1 11 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.538 0.112 18281 8419 1 11 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.493 -0.693 18281 8420 1 11 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.153 -1.242 18281 8421 1 11 . 1 1 31 31 ILE H H 31 8.140 8.140 7.977 0.163 18281 8422 1 11 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.198 0.322 18281 8423 1 11 . 1 1 32 32 PRO C C 32 177.680 177.680 177.919 -0.239 18281 8424 1 11 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.635 0.885 18281 8425 1 11 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.244 0.276 18281 8426 1 11 . 1 1 33 33 LYS N N 33 112.410 112.410 118.358 -5.948 18281 8427 1 11 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.073 0.077 18281 8428 1 11 . 1 1 33 33 LYS C C 33 178.220 178.220 178.909 -0.689 18281 8429 1 11 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.351 -0.061 18281 8430 1 11 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.135 0.775 18281 8431 1 11 . 1 1 33 33 LYS H H 33 6.880 6.880 7.559 -0.679 18281 8432 1 11 . 1 1 34 34 ILE N N 34 112.260 112.260 117.007 -4.747 18281 8433 1 11 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.849 0.471 18281 8434 1 11 . 1 1 34 34 ILE C C 34 175.920 175.920 176.402 -0.482 18281 8435 1 11 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.117 -1.297 18281 8436 1 11 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.367 0.983 18281 8437 1 11 . 1 1 34 34 ILE H H 34 7.560 7.560 7.761 -0.201 18281 8438 1 11 . 1 1 35 35 ALA N N 35 124.420 124.420 121.496 2.924 18281 8439 1 11 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.821 0.149 18281 8440 1 11 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.879 0.481 18281 8441 1 11 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.282 -0.021 18281 8442 1 11 . 1 1 35 35 ALA H H 35 8.820 8.820 7.358 1.462 18281 8443 1 11 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.271 0.459 18281 8444 1 11 . 1 1 36 36 PRO C C 36 177.890 177.890 177.652 0.238 18281 8445 1 11 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.789 -0.549 18281 8446 1 11 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.411 -0.731 18281 8447 1 11 . 1 1 37 37 GLN N N 37 115.580 115.580 117.785 -2.205 18281 8448 1 11 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.068 0.182 18281 8449 1 11 . 1 1 37 37 GLN C C 37 177.740 177.740 177.314 0.426 18281 8450 1 11 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.077 -0.767 18281 8451 1 11 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.052 -0.532 18281 8452 1 11 . 1 1 37 37 GLN H H 37 8.660 8.660 8.545 0.115 18281 8453 1 11 . 1 1 38 38 ALA N N 38 123.250 123.250 119.870 3.380 18281 8454 1 11 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.426 -0.036 18281 8455 1 11 . 1 1 38 38 ALA C C 38 177.850 177.850 177.106 0.744 18281 8456 1 11 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.458 0.042 18281 8457 1 11 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.195 0.635 18281 8458 1 11 . 1 1 38 38 ALA H H 38 8.030 8.030 8.106 -0.076 18281 8459 1 11 . 1 1 39 39 VAL N N 39 117.330 117.330 111.014 6.316 18281 8460 1 11 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.478 -0.348 18281 8461 1 11 . 1 1 39 39 VAL C C 39 172.750 172.750 174.593 -1.843 18281 8462 1 11 . 1 1 39 39 VAL CA C 39 62.450 62.450 59.036 3.414 18281 8463 1 11 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.823 -1.193 18281 8464 1 11 . 1 1 39 39 VAL H H 39 7.660 7.660 7.228 0.432 18281 8465 1 11 . 1 1 40 40 LYS N N 40 125.270 125.270 123.102 2.168 18281 8466 1 11 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.157 0.303 18281 8467 1 11 . 1 1 40 40 LYS C C 40 177.240 177.240 176.366 0.874 18281 8468 1 11 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.840 -1.390 18281 8469 1 11 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.410 0.590 18281 8470 1 11 . 1 1 40 40 LYS H H 40 8.910 8.910 8.813 0.097 18281 8471 1 11 . 1 1 41 41 CYS N N 41 112.210 112.210 113.805 -1.595 18281 8472 1 11 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.505 0.055 18281 8473 1 11 . 1 1 41 41 CYS C C 41 170.900 170.900 172.719 -1.819 18281 8474 1 11 . 1 1 41 41 CYS CA C 41 57.020 57.020 57.749 -0.729 18281 8475 1 11 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.898 -0.098 18281 8476 1 11 . 1 1 41 41 CYS H H 41 7.680 7.680 7.464 0.216 18281 8477 1 11 . 1 1 42 42 ALA N N 42 125.620 125.620 126.709 -1.089 18281 8478 1 11 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.560 0.660 18281 8479 1 11 . 1 1 42 42 ALA C C 42 175.690 175.690 176.344 -0.654 18281 8480 1 11 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.254 -0.274 18281 8481 1 11 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.182 2.818 18281 8482 1 11 . 1 1 42 42 ALA H H 42 8.700 8.700 8.595 0.105 18281 8483 1 11 . 1 1 43 43 GLU N N 43 120.730 120.730 124.816 -4.086 18281 8484 1 11 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.641 0.019 18281 8485 1 11 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.459 -0.089 18281 8486 1 11 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.054 1.066 18281 8487 1 11 . 1 1 43 43 GLU H H 43 8.810 8.810 8.275 0.535 18281 8488 1 11 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.451 -0.411 18281 8489 1 11 . 1 1 44 44 ILE C C 44 176.190 176.190 176.004 0.186 18281 8490 1 11 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.576 1.414 18281 8491 1 11 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.516 -0.736 18281 8492 1 11 . 1 1 45 45 LEU N N 45 129.030 129.030 129.631 -0.601 18281 8493 1 11 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.240 0.210 18281 8494 1 11 . 1 1 45 45 LEU C C 45 177.270 177.270 176.625 0.645 18281 8495 1 11 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.635 -0.625 18281 8496 1 11 . 1 1 45 45 LEU CB C 45 42.480 42.480 43.053 -0.573 18281 8497 1 11 . 1 1 45 45 LEU H H 45 9.090 9.090 8.843 0.247 18281 8498 1 11 . 1 1 46 46 GLU N N 46 116.640 116.640 113.614 3.026 18281 8499 1 11 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.460 0.150 18281 8500 1 11 . 1 1 46 46 GLU C C 46 174.840 174.840 175.453 -0.613 18281 8501 1 11 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.422 0.188 18281 8502 1 11 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.866 0.704 18281 8503 1 11 . 1 1 46 46 GLU H H 46 7.700 7.700 7.498 0.202 18281 8504 1 11 . 1 1 47 47 GLY N N 47 110.230 110.230 110.300 -0.070 18281 8505 1 11 . 1 1 47 47 GLY C C 47 173.630 173.630 173.837 -0.207 18281 8506 1 11 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.679 -0.999 18281 8507 1 11 . 1 1 47 47 GLY H H 47 8.620 8.620 8.779 -0.159 18281 8508 1 11 . 1 1 48 48 ASP N N 48 115.220 115.220 120.821 -5.601 18281 8509 1 11 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.357 0.413 18281 8510 1 11 . 1 1 48 48 ASP C C 48 177.340 177.340 176.000 1.340 18281 8511 1 11 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.795 -1.875 18281 8512 1 11 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.304 2.376 18281 8513 1 11 . 1 1 48 48 ASP H H 48 7.960 7.960 8.447 -0.487 18281 8514 1 11 . 1 1 49 49 GLY N N 49 110.900 110.900 101.865 9.035 18281 8515 1 11 . 1 1 49 49 GLY C C 49 174.750 174.750 174.254 0.496 18281 8516 1 11 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.191 0.120 18281 8517 1 11 . 1 1 49 49 GLY H H 49 8.750 8.750 8.466 0.284 18281 8518 1 11 . 1 1 50 50 GLY N N 50 107.020 107.020 108.125 -1.105 18281 8519 1 11 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.750 0.850 18281 8520 1 11 . 1 1 50 50 GLY H H 50 8.300 8.300 8.239 0.061 18281 8521 1 11 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.215 -0.255 18281 8522 1 11 . 1 1 51 51 PRO C C 51 176.780 176.780 177.699 -0.919 18281 8523 1 11 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.367 1.633 18281 8524 1 11 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.703 0.167 18281 8525 1 11 . 1 1 52 52 GLY N N 52 114.320 114.320 113.847 0.473 18281 8526 1 11 . 1 1 52 52 GLY C C 52 174.170 174.170 174.142 0.028 18281 8527 1 11 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.619 -0.939 18281 8528 1 11 . 1 1 52 52 GLY H H 52 9.240 9.240 8.965 0.275 18281 8529 1 11 . 1 1 53 53 THR N N 53 118.900 118.900 116.274 2.626 18281 8530 1 11 . 1 1 53 53 THR HA H 53 4.660 4.660 4.692 -0.032 18281 8531 1 11 . 1 1 53 53 THR C C 53 173.510 173.510 174.128 -0.618 18281 8532 1 11 . 1 1 53 53 THR CA C 53 64.580 64.580 63.716 0.864 18281 8533 1 11 . 1 1 53 53 THR CB C 53 70.070 70.070 70.343 -0.272 18281 8534 1 11 . 1 1 53 53 THR H H 53 7.910 7.910 7.385 0.525 18281 8535 1 11 . 1 1 54 54 ILE N N 54 124.830 124.830 125.512 -0.682 18281 8536 1 11 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.750 0.560 18281 8537 1 11 . 1 1 54 54 ILE C C 54 175.260 175.260 174.928 0.332 18281 8538 1 11 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.835 1.035 18281 8539 1 11 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.505 0.945 18281 8540 1 11 . 1 1 54 54 ILE H H 54 8.550 8.550 8.521 0.029 18281 8541 1 11 . 1 1 55 55 LYS N N 55 126.970 126.970 125.300 1.670 18281 8542 1 11 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.255 0.045 18281 8543 1 11 . 1 1 55 55 LYS C C 55 173.950 173.950 175.105 -1.155 18281 8544 1 11 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.405 -0.575 18281 8545 1 11 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.580 0.150 18281 8546 1 11 . 1 1 55 55 LYS H H 55 9.400 9.400 9.241 0.159 18281 8547 1 11 . 1 1 56 56 LYS N N 56 124.220 124.220 124.198 0.022 18281 8548 1 11 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.711 0.569 18281 8549 1 11 . 1 1 56 56 LYS C C 56 175.230 175.230 174.351 0.879 18281 8550 1 11 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.376 -0.586 18281 8551 1 11 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.013 0.047 18281 8552 1 11 . 1 1 56 56 LYS H H 56 9.360 9.360 8.985 0.375 18281 8553 1 11 . 1 1 57 57 ILE N N 57 132.380 132.380 127.672 4.708 18281 8554 1 11 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.278 0.362 18281 8555 1 11 . 1 1 57 57 ILE C C 57 174.840 174.840 174.667 0.173 18281 8556 1 11 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.878 0.602 18281 8557 1 11 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.621 -1.351 18281 8558 1 11 . 1 1 57 57 ILE H H 57 9.240 9.240 8.937 0.303 18281 8559 1 11 . 1 1 58 58 THR N N 58 122.310 122.310 122.264 0.046 18281 8560 1 11 . 1 1 58 58 THR HA H 58 5.180 5.180 4.618 0.562 18281 8561 1 11 . 1 1 58 58 THR C C 58 174.260 174.260 173.299 0.961 18281 8562 1 11 . 1 1 58 58 THR CA C 58 61.720 61.720 62.182 -0.462 18281 8563 1 11 . 1 1 58 58 THR CB C 58 70.640 70.640 70.042 0.598 18281 8564 1 11 . 1 1 58 58 THR H H 58 8.720 8.720 8.197 0.523 18281 8565 1 11 . 1 1 59 59 PHE N N 59 124.570 124.570 125.902 -1.332 18281 8566 1 11 . 1 1 59 59 PHE HA H 59 5.020 5.020 5.000 0.020 18281 8567 1 11 . 1 1 59 59 PHE C C 59 174.510 174.510 176.114 -1.604 18281 8568 1 11 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.330 -0.880 18281 8569 1 11 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.805 0.205 18281 8570 1 11 . 1 1 59 59 PHE H H 59 8.570 8.570 9.052 -0.482 18281 8571 1 11 . 1 1 60 60 GLY N N 60 104.600 104.600 111.920 -7.320 18281 8572 1 11 . 1 1 60 60 GLY C C 60 173.500 173.500 174.684 -1.184 18281 8573 1 11 . 1 1 60 60 GLY CA C 60 44.830 44.830 45.007 -0.177 18281 8574 1 11 . 1 1 60 60 GLY H H 60 7.800 7.800 8.454 -0.654 18281 8575 1 11 . 1 1 61 61 GLU N N 61 119.400 119.400 121.702 -2.302 18281 8576 1 11 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.133 -0.023 18281 8577 1 11 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.720 -0.920 18281 8578 1 11 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.647 1.293 18281 8579 1 11 . 1 1 61 61 GLU H H 61 8.290 8.290 8.864 -0.574 18281 8580 1 11 . 1 1 62 62 GLY N N 62 110.940 110.940 105.949 4.991 18281 8581 1 11 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.348 0.852 18281 8582 1 11 . 1 1 62 62 GLY H H 62 8.870 8.870 8.714 0.156 18281 8583 1 11 . 1 1 66 66 GLY C C 66 176.930 176.930 171.735 5.195 18281 8584 1 11 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.100 -0.020 18281 8585 1 11 . 1 1 67 67 TYR N N 67 115.490 115.490 121.113 -5.623 18281 8586 1 11 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.723 -0.143 18281 8587 1 11 . 1 1 67 67 TYR C C 67 175.470 175.470 173.546 1.924 18281 8588 1 11 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.747 0.173 18281 8589 1 11 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.857 -0.137 18281 8590 1 11 . 1 1 67 67 TYR H H 67 8.110 8.110 7.681 0.429 18281 8591 1 11 . 1 1 68 68 VAL N N 68 111.980 111.980 115.722 -3.742 18281 8592 1 11 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.767 0.253 18281 8593 1 11 . 1 1 68 68 VAL C C 68 175.480 175.480 174.512 0.968 18281 8594 1 11 . 1 1 68 68 VAL CA C 68 59.500 59.500 59.857 -0.357 18281 8595 1 11 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.704 0.756 18281 8596 1 11 . 1 1 68 68 VAL H H 68 8.840 8.840 8.830 0.010 18281 8597 1 11 . 1 1 69 69 LYS N N 69 118.430 118.430 124.327 -5.897 18281 8598 1 11 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.140 0.560 18281 8599 1 11 . 1 1 69 69 LYS C C 69 175.740 175.740 175.979 -0.239 18281 8600 1 11 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.833 0.537 18281 8601 1 11 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.178 1.402 18281 8602 1 11 . 1 1 69 69 LYS H H 69 8.590 8.590 9.166 -0.576 18281 8603 1 11 . 1 1 70 70 HIS N N 70 122.590 122.590 121.796 0.794 18281 8604 1 11 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.260 0.930 18281 8605 1 11 . 1 1 70 70 HIS C C 70 174.590 174.590 173.671 0.919 18281 8606 1 11 . 1 1 70 70 HIS CA C 70 51.840 51.840 54.879 -3.039 18281 8607 1 11 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.462 2.548 18281 8608 1 11 . 1 1 70 70 HIS H H 70 9.160 9.160 9.010 0.150 18281 8609 1 11 . 1 1 71 71 LYS N N 71 122.760 122.760 123.359 -0.599 18281 8610 1 11 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.569 -0.079 18281 8611 1 11 . 1 1 71 71 LYS C C 71 175.500 175.500 174.709 0.791 18281 8612 1 11 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.943 0.097 18281 8613 1 11 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.651 -0.781 18281 8614 1 11 . 1 1 71 71 LYS H H 71 9.460 9.460 9.336 0.124 18281 8615 1 11 . 1 1 72 72 ILE N N 72 127.870 127.870 126.092 1.778 18281 8616 1 11 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.258 -0.378 18281 8617 1 11 . 1 1 72 72 ILE C C 72 175.430 175.430 175.720 -0.290 18281 8618 1 11 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.492 1.908 18281 8619 1 11 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.729 -1.689 18281 8620 1 11 . 1 1 72 72 ILE H H 72 9.320 9.320 8.578 0.742 18281 8621 1 11 . 1 1 73 73 HIS N N 73 127.690 127.690 125.953 1.737 18281 8622 1 11 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.651 0.469 18281 8623 1 11 . 1 1 73 73 HIS C C 73 176.240 176.240 174.795 1.445 18281 8624 1 11 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.964 -0.994 18281 8625 1 11 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.503 0.437 18281 8626 1 11 . 1 1 73 73 HIS H H 73 9.080 9.080 8.321 0.759 18281 8627 1 11 . 1 1 74 74 SER N N 74 110.900 110.900 112.214 -1.314 18281 8628 1 11 . 1 1 74 74 SER HA H 74 4.760 4.760 4.628 0.132 18281 8629 1 11 . 1 1 74 74 SER C C 74 172.620 172.620 172.213 0.407 18281 8630 1 11 . 1 1 74 74 SER CA C 74 57.880 57.880 57.785 0.095 18281 8631 1 11 . 1 1 74 74 SER CB C 74 66.790 66.790 64.610 2.180 18281 8632 1 11 . 1 1 74 74 SER H H 74 8.180 8.180 7.596 0.584 18281 8633 1 11 . 1 1 75 75 ILE N N 75 123.780 123.780 118.926 4.854 18281 8634 1 11 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.050 -0.370 18281 8635 1 11 . 1 1 75 75 ILE C C 75 174.010 174.010 174.308 -0.298 18281 8636 1 11 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.411 2.729 18281 8637 1 11 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.774 -0.464 18281 8638 1 11 . 1 1 75 75 ILE H H 75 8.730 8.730 8.376 0.354 18281 8639 1 11 . 1 1 76 76 ASP N N 76 127.280 127.280 126.311 0.969 18281 8640 1 11 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.060 0.020 18281 8641 1 11 . 1 1 76 76 ASP C C 76 176.680 176.680 176.009 0.671 18281 8642 1 11 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.053 -0.923 18281 8643 1 11 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.358 0.192 18281 8644 1 11 . 1 1 76 76 ASP H H 76 9.110 9.110 9.109 0.001 18281 8645 1 11 . 1 1 77 77 LYS N N 77 122.400 122.400 123.041 -0.641 18281 8646 1 11 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.694 0.286 18281 8647 1 11 . 1 1 77 77 LYS C C 77 175.980 175.980 177.314 -1.334 18281 8648 1 11 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.709 -2.289 18281 8649 1 11 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.399 0.381 18281 8650 1 11 . 1 1 77 77 LYS H H 77 8.890 8.890 8.630 0.260 18281 8651 1 11 . 1 1 78 78 VAL N N 78 119.300 119.300 116.542 2.758 18281 8652 1 11 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.585 0.075 18281 8653 1 11 . 1 1 78 78 VAL C C 78 176.290 176.290 176.164 0.126 18281 8654 1 11 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.836 -0.416 18281 8655 1 11 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.830 0.270 18281 8656 1 11 . 1 1 78 78 VAL H H 78 8.110 8.110 8.061 0.049 18281 8657 1 11 . 1 1 79 79 ASN N N 79 114.400 114.400 115.435 -1.035 18281 8658 1 11 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.641 -0.161 18281 8659 1 11 . 1 1 79 79 ASN C C 79 173.670 173.670 174.627 -0.957 18281 8660 1 11 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.012 -0.472 18281 8661 1 11 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.041 1.049 18281 8662 1 11 . 1 1 79 79 ASN H H 79 7.700 7.700 7.800 -0.100 18281 8663 1 11 . 1 1 80 80 HIS N N 80 115.530 115.530 113.841 1.689 18281 8664 1 11 . 1 1 80 80 HIS C C 80 173.450 173.450 172.936 0.514 18281 8665 1 11 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.846 -0.316 18281 8666 1 11 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.348 0.852 18281 8667 1 11 . 1 1 80 80 HIS H H 80 6.980 6.980 7.363 -0.383 18281 8668 1 11 . 1 1 81 81 THR N N 81 109.600 109.600 113.706 -4.106 18281 8669 1 11 . 1 1 81 81 THR HA H 81 5.730 5.730 4.962 0.768 18281 8670 1 11 . 1 1 81 81 THR C C 81 172.980 172.980 172.854 0.126 18281 8671 1 11 . 1 1 81 81 THR CA C 81 60.190 60.190 62.375 -2.185 18281 8672 1 11 . 1 1 81 81 THR CB C 81 71.740 71.740 72.021 -0.281 18281 8673 1 11 . 1 1 81 81 THR H H 81 7.990 7.990 7.687 0.303 18281 8674 1 11 . 1 1 82 82 TYR N N 82 125.000 125.000 128.764 -3.764 18281 8675 1 11 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.080 0.620 18281 8676 1 11 . 1 1 82 82 TYR C C 82 173.600 173.600 173.335 0.265 18281 8677 1 11 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.950 -1.620 18281 8678 1 11 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.095 0.715 18281 8679 1 11 . 1 1 82 82 TYR H H 82 9.300 9.300 9.266 0.034 18281 8680 1 11 . 1 1 83 83 SER N N 83 121.820 121.820 123.957 -2.137 18281 8681 1 11 . 1 1 83 83 SER HA H 83 5.670 5.670 5.009 0.661 18281 8682 1 11 . 1 1 83 83 SER C C 83 173.490 173.490 172.798 0.692 18281 8683 1 11 . 1 1 83 83 SER CA C 83 56.420 56.420 57.501 -1.081 18281 8684 1 11 . 1 1 83 83 SER CB C 83 65.520 65.520 65.423 0.097 18281 8685 1 11 . 1 1 83 83 SER H H 83 9.090 9.090 8.092 0.998 18281 8686 1 11 . 1 1 84 84 TYR N N 84 122.970 122.970 121.745 1.225 18281 8687 1 11 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.093 0.137 18281 8688 1 11 . 1 1 84 84 TYR C C 84 172.530 172.530 173.011 -0.481 18281 8689 1 11 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.280 0.140 18281 8690 1 11 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.665 -0.715 18281 8691 1 11 . 1 1 84 84 TYR H H 84 8.790 8.790 9.120 -0.330 18281 8692 1 11 . 1 1 85 85 SER N N 85 114.200 114.200 113.502 0.698 18281 8693 1 11 . 1 1 85 85 SER HA H 85 5.700 5.700 5.257 0.443 18281 8694 1 11 . 1 1 85 85 SER C C 85 173.180 173.180 172.493 0.687 18281 8695 1 11 . 1 1 85 85 SER CA C 85 57.510 57.510 56.891 0.619 18281 8696 1 11 . 1 1 85 85 SER CB C 85 65.940 65.940 67.120 -1.180 18281 8697 1 11 . 1 1 85 85 SER H H 85 9.350 9.350 9.408 -0.058 18281 8698 1 11 . 1 1 86 86 LEU N N 86 128.880 128.880 122.703 6.177 18281 8699 1 11 . 1 1 86 86 LEU HA H 86 5.230 5.230 5.028 0.202 18281 8700 1 11 . 1 1 86 86 LEU C C 86 176.230 176.230 176.305 -0.075 18281 8701 1 11 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.986 1.604 18281 8702 1 11 . 1 1 86 86 LEU CB C 86 44.150 44.150 44.618 -0.468 18281 8703 1 11 . 1 1 86 86 LEU H H 86 9.900 9.900 9.055 0.845 18281 8704 1 11 . 1 1 87 87 ILE N N 87 115.900 115.900 126.655 -10.755 18281 8705 1 11 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.199 0.731 18281 8706 1 11 . 1 1 87 87 ILE C C 87 176.080 176.080 176.269 -0.189 18281 8707 1 11 . 1 1 87 87 ILE CA C 87 61.270 61.270 61.309 -0.040 18281 8708 1 11 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.459 1.371 18281 8709 1 11 . 1 1 87 87 ILE H H 87 8.180 8.180 8.982 -0.802 18281 8710 1 11 . 1 1 88 88 GLU N N 88 121.920 121.920 117.328 4.592 18281 8711 1 11 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.549 -0.039 18281 8712 1 11 . 1 1 88 88 GLU C C 88 174.020 174.020 174.992 -0.972 18281 8713 1 11 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.806 2.235 18281 8714 1 11 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.882 2.088 18281 8715 1 11 . 1 1 88 88 GLU H H 88 7.650 7.650 7.906 -0.256 18281 8716 1 11 . 1 1 89 89 GLY N N 89 111.650 111.650 108.723 2.927 18281 8717 1 11 . 1 1 89 89 GLY C C 89 173.800 173.800 173.189 0.611 18281 8718 1 11 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.306 0.644 18281 8719 1 11 . 1 1 89 89 GLY H H 89 8.830 8.830 7.985 0.845 18281 8720 1 11 . 1 1 90 90 ASP N N 90 119.650 119.650 120.980 -1.330 18281 8721 1 11 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.218 0.142 18281 8722 1 11 . 1 1 90 90 ASP C C 90 176.570 176.570 178.454 -1.884 18281 8723 1 11 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.584 -0.544 18281 8724 1 11 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.592 0.688 18281 8725 1 11 . 1 1 90 90 ASP H H 90 8.430 8.430 8.596 -0.166 18281 8726 1 11 . 1 1 91 91 ALA N N 91 118.530 118.530 120.143 -1.613 18281 8727 1 11 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.213 0.027 18281 8728 1 11 . 1 1 91 91 ALA C C 91 177.740 177.740 178.665 -0.925 18281 8729 1 11 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.424 -1.214 18281 8730 1 11 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.496 0.814 18281 8731 1 11 . 1 1 91 91 ALA H H 91 7.810 7.810 8.528 -0.718 18281 8732 1 11 . 1 1 92 92 LEU N N 92 117.330 117.330 117.986 -0.656 18281 8733 1 11 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.442 0.018 18281 8734 1 11 . 1 1 92 92 LEU C C 92 176.210 176.210 177.120 -0.910 18281 8735 1 11 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.587 -1.567 18281 8736 1 11 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.639 -2.429 18281 8737 1 11 . 1 1 92 92 LEU H H 92 7.600 7.600 7.460 0.140 18281 8738 1 11 . 1 1 93 93 SER N N 93 115.780 115.780 112.623 3.157 18281 8739 1 11 . 1 1 93 93 SER HA H 93 4.620 4.620 4.045 0.575 18281 8740 1 11 . 1 1 93 93 SER C C 93 173.970 173.970 175.801 -1.831 18281 8741 1 11 . 1 1 93 93 SER CA C 93 57.730 57.730 59.718 -1.988 18281 8742 1 11 . 1 1 93 93 SER CB C 93 64.920 64.920 63.317 1.603 18281 8743 1 11 . 1 1 93 93 SER H H 93 7.910 7.910 7.992 -0.082 18281 8744 1 11 . 1 1 94 94 GLU N N 94 119.400 119.400 121.030 -1.630 18281 8745 1 11 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.272 -0.112 18281 8746 1 11 . 1 1 94 94 GLU C C 94 176.570 176.570 177.348 -0.778 18281 8747 1 11 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.804 -0.104 18281 8748 1 11 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.444 -0.234 18281 8749 1 11 . 1 1 94 94 GLU H H 94 8.850 8.850 8.890 -0.040 18281 8750 1 11 . 1 1 95 95 ASN N N 95 113.460 113.460 116.197 -2.737 18281 8751 1 11 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.647 0.153 18281 8752 1 11 . 1 1 95 95 ASN C C 95 174.070 174.070 174.944 -0.874 18281 8753 1 11 . 1 1 95 95 ASN CA C 95 54.120 54.120 55.748 -1.629 18281 8754 1 11 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.394 -0.044 18281 8755 1 11 . 1 1 95 95 ASN H H 95 8.290 8.290 8.147 0.143 18281 8756 1 11 . 1 1 96 96 ILE N N 96 120.610 120.610 113.065 7.545 18281 8757 1 11 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.558 -0.368 18281 8758 1 11 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.089 -0.159 18281 8759 1 11 . 1 1 96 96 ILE CB C 96 38.870 38.870 40.255 -1.385 18281 8760 1 11 . 1 1 96 96 ILE H H 96 7.770 7.770 7.545 0.225 18281 8761 1 11 . 1 1 97 97 GLU N N 97 126.670 126.670 126.712 -0.042 18281 8762 1 11 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.662 0.128 18281 8763 1 11 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.453 0.747 18281 8764 1 11 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.090 1.860 18281 8765 1 11 . 1 1 97 97 GLU H H 97 8.460 8.460 8.518 -0.058 18281 8766 1 11 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.483 0.227 18281 8767 1 11 . 1 1 98 98 LYS C C 98 173.650 173.650 174.109 -0.459 18281 8768 1 11 . 1 1 98 98 LYS CA C 98 55.970 55.970 56.865 -0.895 18281 8769 1 11 . 1 1 98 98 LYS CB C 98 34.800 34.800 34.060 0.739 18281 8770 1 11 . 1 1 99 99 ILE N N 99 120.290 120.290 126.134 -5.844 18281 8771 1 11 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.786 0.004 18281 8772 1 11 . 1 1 99 99 ILE C C 99 174.690 174.690 173.997 0.693 18281 8773 1 11 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.556 0.744 18281 8774 1 11 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.737 0.813 18281 8775 1 11 . 1 1 99 99 ILE H H 99 7.720 7.720 8.177 -0.457 18281 8776 1 11 . 1 1 100 100 ASP N N 100 126.970 126.970 127.560 -0.590 18281 8777 1 11 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.785 0.315 18281 8778 1 11 . 1 1 100 100 ASP C C 100 174.490 174.490 174.060 0.430 18281 8779 1 11 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.163 -0.533 18281 8780 1 11 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.543 0.307 18281 8781 1 11 . 1 1 100 100 ASP H H 100 9.220 9.220 8.000 1.220 18281 8782 1 11 . 1 1 101 101 TYR N N 101 120.640 120.640 124.288 -3.648 18281 8783 1 11 . 1 1 101 101 TYR HA H 101 5.280 5.280 5.121 0.159 18281 8784 1 11 . 1 1 101 101 TYR C C 101 175.740 175.740 175.278 0.462 18281 8785 1 11 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.291 0.689 18281 8786 1 11 . 1 1 101 101 TYR CB C 101 41.640 41.640 40.612 1.028 18281 8787 1 11 . 1 1 101 101 TYR H H 101 9.140 9.140 8.799 0.341 18281 8788 1 11 . 1 1 102 102 GLU N N 102 122.040 122.040 122.935 -0.895 18281 8789 1 11 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.793 0.337 18281 8790 1 11 . 1 1 102 102 GLU C C 102 175.360 175.360 175.284 0.076 18281 8791 1 11 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.272 0.598 18281 8792 1 11 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.574 -0.504 18281 8793 1 11 . 1 1 102 102 GLU H H 102 8.670 8.670 8.901 -0.231 18281 8794 1 11 . 1 1 103 103 THR N N 103 125.840 125.840 120.168 5.672 18281 8795 1 11 . 1 1 103 103 THR HA H 103 5.580 5.580 5.273 0.307 18281 8796 1 11 . 1 1 103 103 THR C C 103 172.780 172.780 173.424 -0.644 18281 8797 1 11 . 1 1 103 103 THR CA C 103 62.150 62.150 61.187 0.963 18281 8798 1 11 . 1 1 103 103 THR CB C 103 71.750 71.750 71.197 0.553 18281 8799 1 11 . 1 1 103 103 THR H H 103 9.550 9.550 9.118 0.432 18281 8800 1 11 . 1 1 104 104 LYS N N 104 126.990 126.990 127.407 -0.417 18281 8801 1 11 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.760 0.480 18281 8802 1 11 . 1 1 104 104 LYS C C 104 174.300 174.300 174.243 0.057 18281 8803 1 11 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.165 0.165 18281 8804 1 11 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.601 0.339 18281 8805 1 11 . 1 1 104 104 LYS H H 104 9.430 9.430 8.771 0.659 18281 8806 1 11 . 1 1 105 105 LEU N N 105 124.700 124.700 127.633 -2.933 18281 8807 1 11 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.638 0.572 18281 8808 1 11 . 1 1 105 105 LEU C C 105 175.780 175.780 176.173 -0.393 18281 8809 1 11 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.856 0.764 18281 8810 1 11 . 1 1 105 105 LEU CB C 105 41.950 41.950 40.949 1.001 18281 8811 1 11 . 1 1 105 105 LEU H H 105 8.410 8.410 8.381 0.029 18281 8812 1 11 . 1 1 106 106 VAL N N 106 123.290 123.290 123.752 -0.462 18281 8813 1 11 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.270 0.160 18281 8814 1 11 . 1 1 106 106 VAL C C 106 175.560 175.560 174.414 1.146 18281 8815 1 11 . 1 1 106 106 VAL CA C 106 60.470 60.470 61.250 -0.780 18281 8816 1 11 . 1 1 106 106 VAL CB C 106 35.020 35.020 36.334 -1.314 18281 8817 1 11 . 1 1 106 106 VAL H H 106 9.180 9.180 9.157 0.023 18281 8818 1 11 . 1 1 107 107 SER N N 107 121.800 121.800 120.171 1.629 18281 8819 1 11 . 1 1 107 107 SER HA H 107 4.660 4.660 4.723 -0.063 18281 8820 1 11 . 1 1 107 107 SER C C 107 173.600 173.600 173.447 0.153 18281 8821 1 11 . 1 1 107 107 SER CA C 107 59.860 59.860 57.062 2.798 18281 8822 1 11 . 1 1 107 107 SER CB C 107 63.250 63.250 64.164 -0.914 18281 8823 1 11 . 1 1 107 107 SER H H 107 8.910 8.910 8.404 0.506 18281 8824 1 11 . 1 1 108 108 ALA N N 108 129.210 129.210 127.821 1.389 18281 8825 1 11 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.939 -0.309 18281 8826 1 11 . 1 1 108 108 ALA CA C 108 49.620 49.620 49.171 0.449 18281 8827 1 11 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.623 0.177 18281 8828 1 11 . 1 1 108 108 ALA H H 108 8.310 8.310 8.182 0.128 18281 8829 1 11 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.272 0.148 18281 8830 1 11 . 1 1 109 109 PRO CA C 109 63.700 63.700 65.145 -1.445 18281 8831 1 11 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.480 0.720 18281 8832 1 11 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.465 0.305 18281 8833 1 11 . 1 1 110 110 HIS C C 110 175.760 175.760 176.028 -0.268 18281 8834 1 11 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.790 -1.400 18281 8835 1 11 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.824 -0.414 18281 8836 1 11 . 1 1 111 111 GLY N N 111 108.720 108.720 105.783 2.937 18281 8837 1 11 . 1 1 111 111 GLY C C 111 174.390 174.390 174.164 0.226 18281 8838 1 11 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.212 -0.082 18281 8839 1 11 . 1 1 111 111 GLY H H 111 7.730 7.730 7.748 -0.018 18281 8840 1 11 . 1 1 112 112 GLY N N 112 107.670 107.670 108.880 -1.210 18281 8841 1 11 . 1 1 112 112 GLY C C 112 174.150 174.150 173.297 0.853 18281 8842 1 11 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.607 -0.187 18281 8843 1 11 . 1 1 112 112 GLY H H 112 7.600 7.600 8.038 -0.438 18281 8844 1 11 . 1 1 113 113 THR N N 113 119.830 119.830 115.939 3.891 18281 8845 1 11 . 1 1 113 113 THR HA H 113 5.060 5.060 4.813 0.247 18281 8846 1 11 . 1 1 113 113 THR C C 113 173.250 173.250 173.428 -0.178 18281 8847 1 11 . 1 1 113 113 THR CA C 113 62.990 62.990 61.874 1.115 18281 8848 1 11 . 1 1 113 113 THR CB C 113 72.270 72.270 70.532 1.738 18281 8849 1 11 . 1 1 113 113 THR H H 113 9.070 9.070 7.995 1.075 18281 8850 1 11 . 1 1 114 114 ILE N N 114 127.600 127.600 127.356 0.244 18281 8851 1 11 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.502 0.008 18281 8852 1 11 . 1 1 114 114 ILE C C 114 174.370 174.370 174.457 -0.087 18281 8853 1 11 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.927 0.233 18281 8854 1 11 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.593 0.377 18281 8855 1 11 . 1 1 114 114 ILE H H 114 9.490 9.490 9.289 0.201 18281 8856 1 11 . 1 1 115 115 ILE N N 115 129.200 129.200 126.667 2.533 18281 8857 1 11 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.989 -0.489 18281 8858 1 11 . 1 1 115 115 ILE C C 115 175.000 175.000 174.994 0.006 18281 8859 1 11 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.847 1.553 18281 8860 1 11 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.200 -2.200 18281 8861 1 11 . 1 1 115 115 ILE H H 115 9.220 9.220 9.383 -0.163 18281 8862 1 11 . 1 1 116 116 LYS N N 116 127.550 127.550 128.327 -0.777 18281 8863 1 11 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.297 -0.127 18281 8864 1 11 . 1 1 116 116 LYS C C 116 176.300 176.300 175.711 0.589 18281 8865 1 11 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.961 0.409 18281 8866 1 11 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.947 -0.366 18281 8867 1 11 . 1 1 116 116 LYS H H 116 9.130 9.130 8.543 0.587 18281 8868 1 11 . 1 1 117 117 THR N N 117 120.940 120.940 121.480 -0.540 18281 8869 1 11 . 1 1 117 117 THR HA H 117 5.730 5.730 5.675 0.055 18281 8870 1 11 . 1 1 117 117 THR C C 117 174.620 174.620 173.973 0.647 18281 8871 1 11 . 1 1 117 117 THR CA C 117 60.990 60.990 61.113 -0.123 18281 8872 1 11 . 1 1 117 117 THR CB C 117 71.750 71.750 71.398 0.352 18281 8873 1 11 . 1 1 117 117 THR H H 117 9.020 9.020 9.077 -0.057 18281 8874 1 11 . 1 1 118 118 THR N N 118 125.750 125.750 123.894 1.856 18281 8875 1 11 . 1 1 118 118 THR HA H 118 5.170 5.170 5.279 -0.109 18281 8876 1 11 . 1 1 118 118 THR C C 118 173.760 173.760 173.717 0.043 18281 8877 1 11 . 1 1 118 118 THR CA C 118 61.800 61.800 61.789 0.011 18281 8878 1 11 . 1 1 118 118 THR CB C 118 70.720 70.720 70.999 -0.279 18281 8879 1 11 . 1 1 118 118 THR H H 118 9.500 9.500 8.786 0.714 18281 8880 1 11 . 1 1 119 119 SER N N 119 122.250 122.250 120.513 1.737 18281 8881 1 11 . 1 1 119 119 SER HA H 119 5.270 5.270 5.346 -0.076 18281 8882 1 11 . 1 1 119 119 SER C C 119 172.960 172.960 172.599 0.361 18281 8883 1 11 . 1 1 119 119 SER CA C 119 55.860 55.860 57.246 -1.387 18281 8884 1 11 . 1 1 119 119 SER CB C 119 66.720 66.720 66.586 0.134 18281 8885 1 11 . 1 1 119 119 SER H H 119 9.410 9.410 8.773 0.637 18281 8886 1 11 . 1 1 120 120 LYS N N 120 124.120 124.120 123.043 1.077 18281 8887 1 11 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.668 0.572 18281 8888 1 11 . 1 1 120 120 LYS C C 120 174.780 174.780 173.749 1.031 18281 8889 1 11 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.745 0.085 18281 8890 1 11 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.762 -0.602 18281 8891 1 11 . 1 1 120 120 LYS H H 120 9.150 9.150 7.556 1.594 18281 8892 1 11 . 1 1 121 121 TYR N N 121 126.500 126.500 120.131 6.369 18281 8893 1 11 . 1 1 121 121 TYR CA C 121 58.000 58.000 56.568 1.433 18281 8894 1 11 . 1 1 121 121 TYR CB C 121 40.200 40.200 42.360 -2.160 18281 8895 1 11 . 1 1 121 121 TYR H H 121 9.800 9.800 8.374 1.426 18281 8896 1 11 . 1 1 122 122 HIS C C 122 174.670 174.670 174.027 0.643 18281 8897 1 11 . 1 1 123 123 THR N N 123 125.750 125.750 110.231 15.519 18281 8898 1 11 . 1 1 123 123 THR HA H 123 5.400 5.400 4.598 0.802 18281 8899 1 11 . 1 1 123 123 THR C C 123 174.460 174.460 174.277 0.183 18281 8900 1 11 . 1 1 123 123 THR CA C 123 60.230 60.230 60.629 -0.399 18281 8901 1 11 . 1 1 123 123 THR CB C 123 71.260 71.260 71.459 -0.199 18281 8902 1 11 . 1 1 123 123 THR H H 123 8.920 8.920 8.144 0.776 18281 8903 1 11 . 1 1 124 124 LYS N N 124 121.170 121.170 122.625 -1.455 18281 8904 1 11 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.007 0.753 18281 8905 1 11 . 1 1 124 124 LYS C C 124 176.450 176.450 177.368 -0.918 18281 8906 1 11 . 1 1 124 124 LYS CA C 124 55.510 55.510 59.171 -3.661 18281 8907 1 11 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.696 1.204 18281 8908 1 11 . 1 1 124 124 LYS H H 124 8.590 8.590 8.594 -0.004 18281 8909 1 11 . 1 1 125 125 GLY N N 125 110.070 110.070 105.873 4.197 18281 8910 1 11 . 1 1 125 125 GLY C C 125 173.620 173.620 173.557 0.063 18281 8911 1 11 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.409 -0.139 18281 8912 1 11 . 1 1 125 125 GLY H H 125 8.390 8.390 8.583 -0.193 18281 8913 1 11 . 1 1 126 126 ASP N N 126 120.070 120.070 119.406 0.664 18281 8914 1 11 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.678 -0.008 18281 8915 1 11 . 1 1 126 126 ASP C C 126 175.580 175.580 175.255 0.325 18281 8916 1 11 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.238 1.052 18281 8917 1 11 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.166 0.194 18281 8918 1 11 . 1 1 126 126 ASP H H 126 8.440 8.440 8.283 0.157 18281 8919 1 11 . 1 1 127 127 VAL N N 127 119.620 119.620 120.414 -0.794 18281 8920 1 11 . 1 1 127 127 VAL HA H 127 4.240 4.240 4.089 0.151 18281 8921 1 11 . 1 1 127 127 VAL C C 127 174.610 174.610 176.307 -1.697 18281 8922 1 11 . 1 1 127 127 VAL CA C 127 61.230 61.230 61.736 -0.506 18281 8923 1 11 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.086 2.164 18281 8924 1 11 . 1 1 127 127 VAL H H 127 7.620 7.620 8.058 -0.438 18281 8925 1 11 . 1 1 128 128 GLU N N 128 125.030 125.030 125.431 -0.401 18281 8926 1 11 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.404 -0.274 18281 8927 1 11 . 1 1 128 128 GLU C C 128 175.680 175.680 175.462 0.218 18281 8928 1 11 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.962 -0.423 18281 8929 1 11 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.451 0.339 18281 8930 1 11 . 1 1 128 128 GLU H H 128 8.330 8.330 8.558 -0.228 18281 8931 1 11 . 1 1 129 129 ILE N N 129 124.070 124.070 121.270 2.800 18281 8932 1 11 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.399 -0.439 18281 8933 1 11 . 1 1 129 129 ILE C C 129 175.960 175.960 174.702 1.258 18281 8934 1 11 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.612 -0.262 18281 8935 1 11 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.895 -4.215 18281 8936 1 11 . 1 1 129 129 ILE H H 129 7.380 7.380 7.895 -0.515 18281 8937 1 11 . 1 1 130 130 LYS N N 130 127.800 127.800 123.401 4.399 18281 8938 1 11 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.515 -0.235 18281 8939 1 11 . 1 1 130 130 LYS C C 130 177.660 177.660 176.801 0.859 18281 8940 1 11 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.442 0.408 18281 8941 1 11 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.882 -0.071 18281 8942 1 11 . 1 1 130 130 LYS H H 130 8.790 8.790 8.382 0.408 18281 8943 1 11 . 1 1 131 131 GLU N N 131 125.060 125.060 126.957 -1.897 18281 8944 1 11 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.854 -0.044 18281 8945 1 11 . 1 1 131 131 GLU C C 131 178.630 178.630 178.105 0.525 18281 8946 1 11 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.238 -0.728 18281 8947 1 11 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.757 -0.457 18281 8948 1 11 . 1 1 131 131 GLU H H 131 8.880 8.880 9.122 -0.242 18281 8949 1 11 . 1 1 132 132 GLU N N 132 117.220 117.220 116.733 0.487 18281 8950 1 11 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.021 -0.041 18281 8951 1 11 . 1 1 132 132 GLU C C 132 178.630 178.630 178.971 -0.341 18281 8952 1 11 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.050 0.560 18281 8953 1 11 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.779 0.201 18281 8954 1 11 . 1 1 132 132 GLU H H 132 9.200 9.200 8.942 0.258 18281 8955 1 11 . 1 1 133 133 HIS N N 133 119.810 119.810 119.982 -0.172 18281 8956 1 11 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.310 0.160 18281 8957 1 11 . 1 1 133 133 HIS C C 133 178.430 178.430 177.547 0.883 18281 8958 1 11 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.352 -0.223 18281 8959 1 11 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.719 1.601 18281 8960 1 11 . 1 1 133 133 HIS H H 133 7.500 7.500 7.669 -0.169 18281 8961 1 11 . 1 1 134 134 VAL N N 134 120.370 120.370 119.559 0.811 18281 8962 1 11 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.153 0.497 18281 8963 1 11 . 1 1 134 134 VAL C C 134 179.170 179.170 177.281 1.889 18281 8964 1 11 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.999 -1.819 18281 8965 1 11 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.286 0.424 18281 8966 1 11 . 1 1 134 134 VAL H H 134 7.290 7.290 7.821 -0.531 18281 8967 1 11 . 1 1 135 135 LYS N N 135 121.310 121.310 119.847 1.463 18281 8968 1 11 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.801 0.159 18281 8969 1 11 . 1 1 135 135 LYS C C 135 178.310 178.310 178.334 -0.024 18281 8970 1 11 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.612 -0.282 18281 8971 1 11 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.350 -0.170 18281 8972 1 11 . 1 1 135 135 LYS H H 135 8.310 8.310 8.244 0.066 18281 8973 1 11 . 1 1 136 136 ALA N N 136 121.150 121.150 120.713 0.437 18281 8974 1 11 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.048 0.182 18281 8975 1 11 . 1 1 136 136 ALA C C 136 180.930 180.930 179.461 1.469 18281 8976 1 11 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.253 -0.233 18281 8977 1 11 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.016 -0.266 18281 8978 1 11 . 1 1 136 136 ALA H H 136 7.950 7.950 7.847 0.103 18281 8979 1 11 . 1 1 137 137 GLY N N 137 105.640 105.640 106.507 -0.867 18281 8980 1 11 . 1 1 137 137 GLY C C 137 177.000 177.000 176.273 0.727 18281 8981 1 11 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.943 0.217 18281 8982 1 11 . 1 1 137 137 GLY H H 137 7.930 7.930 7.544 0.386 18281 8983 1 11 . 1 1 138 138 LYS N N 138 124.210 124.210 122.596 1.614 18281 8984 1 11 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.132 0.098 18281 8985 1 11 . 1 1 138 138 LYS C C 138 178.860 178.860 178.382 0.478 18281 8986 1 11 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.842 -0.052 18281 8987 1 11 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.451 0.219 18281 8988 1 11 . 1 1 138 138 LYS H H 138 7.960 7.960 7.593 0.367 18281 8989 1 11 . 1 1 139 139 GLU N N 139 119.720 119.720 119.376 0.344 18281 8990 1 11 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.053 0.087 18281 8991 1 11 . 1 1 139 139 GLU C C 139 179.710 179.710 178.839 0.871 18281 8992 1 11 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.724 -0.544 18281 8993 1 11 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.500 -0.200 18281 8994 1 11 . 1 1 139 139 GLU H H 139 8.370 8.370 7.923 0.447 18281 8995 1 11 . 1 1 140 140 LYS N N 140 120.270 120.270 118.982 1.288 18281 8996 1 11 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.948 0.162 18281 8997 1 11 . 1 1 140 140 LYS C C 140 179.210 179.210 179.160 0.050 18281 8998 1 11 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.692 -0.082 18281 8999 1 11 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.243 0.137 18281 9000 1 11 . 1 1 140 140 LYS H H 140 8.140 8.140 7.912 0.228 18281 9001 1 11 . 1 1 141 141 ALA N N 141 121.910 121.910 121.245 0.665 18281 9002 1 11 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.173 -0.133 18281 9003 1 11 . 1 1 141 141 ALA C C 141 179.530 179.530 179.719 -0.189 18281 9004 1 11 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.995 0.025 18281 9005 1 11 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.294 0.085 18281 9006 1 11 . 1 1 141 141 ALA H H 141 7.730 7.730 7.649 0.081 18281 9007 1 11 . 1 1 142 142 ALA N N 142 120.440 120.440 121.477 -1.037 18281 9008 1 11 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.163 -0.283 18281 9009 1 11 . 1 1 142 142 ALA C C 142 180.080 180.080 179.353 0.727 18281 9010 1 11 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.287 -0.387 18281 9011 1 11 . 1 1 142 142 ALA CB C 142 18.230 18.230 17.938 0.292 18281 9012 1 11 . 1 1 142 142 ALA H H 142 8.280 8.280 8.067 0.213 18281 9013 1 11 . 1 1 143 143 HIS N N 143 118.280 118.280 118.622 -0.342 18281 9014 1 11 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.289 0.061 18281 9015 1 11 . 1 1 143 143 HIS C C 143 177.350 177.350 177.673 -0.323 18281 9016 1 11 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.994 -0.564 18281 9017 1 11 . 1 1 143 143 HIS CB C 143 30.750 30.750 30.155 0.595 18281 9018 1 11 . 1 1 143 143 HIS H H 143 8.030 8.030 8.483 -0.453 18281 9019 1 11 . 1 1 144 144 LEU N N 144 118.820 118.820 119.399 -0.579 18281 9020 1 11 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.866 0.044 18281 9021 1 11 . 1 1 144 144 LEU C C 144 179.040 179.040 178.791 0.249 18281 9022 1 11 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.743 0.337 18281 9023 1 11 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.565 -0.605 18281 9024 1 11 . 1 1 144 144 LEU H H 144 7.700 7.700 7.657 0.043 18281 9025 1 11 . 1 1 145 145 PHE N N 145 116.920 116.920 117.787 -0.867 18281 9026 1 11 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.958 0.042 18281 9027 1 11 . 1 1 145 145 PHE C C 145 177.900 177.900 177.641 0.259 18281 9028 1 11 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.303 -0.153 18281 9029 1 11 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.937 -0.187 18281 9030 1 11 . 1 1 145 145 PHE H H 145 8.100 8.100 7.778 0.322 18281 9031 1 11 . 1 1 146 146 LYS N N 146 119.710 119.710 119.685 0.025 18281 9032 1 11 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.968 0.162 18281 9033 1 11 . 1 1 146 146 LYS C C 146 177.750 177.750 178.420 -0.670 18281 9034 1 11 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.628 -0.728 18281 9035 1 11 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.217 0.063 18281 9036 1 11 . 1 1 146 146 LYS H H 146 8.040 8.040 7.334 0.706 18281 9037 1 11 . 1 1 147 147 LEU N N 147 118.970 118.970 119.641 -0.671 18281 9038 1 11 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.074 -0.074 18281 9039 1 11 . 1 1 147 147 LEU C C 147 180.460 180.460 179.158 1.302 18281 9040 1 11 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.273 0.197 18281 9041 1 11 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.973 1.427 18281 9042 1 11 . 1 1 147 147 LEU H H 147 7.960 7.960 7.496 0.464 18281 9043 1 11 . 1 1 148 148 ILE N N 148 121.410 121.410 120.362 1.048 18281 9044 1 11 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.500 0.040 18281 9045 1 11 . 1 1 148 148 ILE C C 148 177.030 177.030 178.118 -1.088 18281 9046 1 11 . 1 1 148 148 ILE CA C 148 65.400 65.400 66.342 -0.942 18281 9047 1 11 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.441 0.249 18281 9048 1 11 . 1 1 148 148 ILE H H 148 8.200 8.200 8.068 0.132 18281 9049 1 11 . 1 1 149 149 GLU N N 149 120.450 120.450 120.446 0.004 18281 9050 1 11 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.078 -0.398 18281 9051 1 11 . 1 1 149 149 GLU C C 149 178.540 178.540 179.344 -0.804 18281 9052 1 11 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.728 0.591 18281 9053 1 11 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.676 -0.846 18281 9054 1 11 . 1 1 149 149 GLU H H 149 8.680 8.680 7.987 0.693 18281 9055 1 11 . 1 1 150 150 GLY N N 150 104.450 104.450 107.515 -3.065 18281 9056 1 11 . 1 1 150 150 GLY C C 150 175.670 175.670 175.763 -0.093 18281 9057 1 11 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.943 0.307 18281 9058 1 11 . 1 1 150 150 GLY H H 150 8.180 8.180 7.873 0.307 18281 9059 1 11 . 1 1 151 151 TYR N N 151 122.120 122.120 124.246 -2.126 18281 9060 1 11 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.116 0.264 18281 9061 1 11 . 1 1 151 151 TYR C C 151 179.360 179.360 177.672 1.688 18281 9062 1 11 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.759 0.561 18281 9063 1 11 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.687 -2.297 18281 9064 1 11 . 1 1 151 151 TYR H H 151 7.910 7.910 8.685 -0.775 18281 9065 1 11 . 1 1 152 152 LEU N N 152 120.020 120.020 118.401 1.619 18281 9066 1 11 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.951 0.079 18281 9067 1 11 . 1 1 152 152 LEU C C 152 180.320 180.320 179.034 1.286 18281 9068 1 11 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.416 0.344 18281 9069 1 11 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.826 -0.826 18281 9070 1 11 . 1 1 152 152 LEU H H 152 8.630 8.630 8.066 0.564 18281 9071 1 11 . 1 1 153 153 LYS N N 153 119.730 119.730 118.423 1.307 18281 9072 1 11 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.887 0.083 18281 9073 1 11 . 1 1 153 153 LYS C C 153 178.150 178.150 178.614 -0.464 18281 9074 1 11 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.163 0.236 18281 9075 1 11 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.367 -0.017 18281 9076 1 11 . 1 1 153 153 LYS H H 153 8.260 8.260 7.783 0.477 18281 9077 1 11 . 1 1 154 154 ASP N N 154 117.020 117.020 116.503 0.517 18281 9078 1 11 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.240 -0.240 18281 9079 1 11 . 1 1 154 154 ASP C C 154 175.660 175.660 176.442 -0.782 18281 9080 1 11 . 1 1 154 154 ASP CA C 154 55.030 55.030 56.287 -1.257 18281 9081 1 11 . 1 1 154 154 ASP H H 154 7.560 7.560 7.916 -0.356 18281 9082 1 11 . 1 1 155 155 HIS N N 155 117.160 117.160 115.650 1.510 18281 9083 1 11 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.945 -0.045 18281 9084 1 11 . 1 1 155 155 HIS CA C 155 54.150 54.150 52.423 1.727 18281 9085 1 11 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.406 -1.416 18281 9086 1 11 . 1 1 155 155 HIS H H 155 7.430 7.430 7.228 0.202 18281 9087 1 12 . 1 1 3 3 VAL N N 3 119.910 119.910 122.436 -2.526 18281 9088 1 12 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.461 0.459 18281 9089 1 12 . 1 1 3 3 VAL CA C 3 61.020 61.020 62.105 -1.085 18281 9090 1 12 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.718 0.413 18281 9091 1 12 . 1 1 3 3 VAL H H 3 7.630 7.630 8.037 -0.407 18281 9092 1 12 . 1 1 4 4 TYR N N 4 119.930 119.930 126.455 -6.525 18281 9093 1 12 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.480 0.190 18281 9094 1 12 . 1 1 4 4 TYR C C 4 174.670 174.670 174.805 -0.135 18281 9095 1 12 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.758 -0.288 18281 9096 1 12 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.232 1.038 18281 9097 1 12 . 1 1 4 4 TYR H H 4 8.660 8.660 8.507 0.153 18281 9098 1 12 . 1 1 5 5 THR N N 5 119.930 119.930 120.320 -0.390 18281 9099 1 12 . 1 1 5 5 THR HA H 5 5.290 5.290 4.225 1.065 18281 9100 1 12 . 1 1 5 5 THR C C 5 173.180 173.180 172.977 0.203 18281 9101 1 12 . 1 1 5 5 THR CA C 5 61.780 61.780 62.039 -0.259 18281 9102 1 12 . 1 1 5 5 THR CB C 5 70.360 70.360 69.532 0.828 18281 9103 1 12 . 1 1 5 5 THR H H 5 8.230 8.230 7.082 1.148 18281 9104 1 12 . 1 1 6 6 TYR N N 6 125.060 125.060 124.593 0.467 18281 9105 1 12 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.850 0.440 18281 9106 1 12 . 1 1 6 6 TYR C C 6 174.380 174.380 174.330 0.050 18281 9107 1 12 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.856 0.254 18281 9108 1 12 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.944 -0.094 18281 9109 1 12 . 1 1 6 6 TYR H H 6 9.210 9.210 8.456 0.754 18281 9110 1 12 . 1 1 7 7 GLU N N 7 122.360 122.360 123.145 -0.785 18281 9111 1 12 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.812 0.548 18281 9112 1 12 . 1 1 7 7 GLU C C 7 175.390 175.390 175.070 0.320 18281 9113 1 12 . 1 1 7 7 GLU CA C 7 54.980 54.980 55.038 -0.058 18281 9114 1 12 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.418 0.632 18281 9115 1 12 . 1 1 7 7 GLU H H 7 8.830 8.830 8.812 0.018 18281 9116 1 12 . 1 1 8 8 ASN N N 8 119.960 119.960 124.442 -4.482 18281 9117 1 12 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.057 0.043 18281 9118 1 12 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.234 0.386 18281 9119 1 12 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.413 1.797 18281 9120 1 12 . 1 1 8 8 ASN H H 8 8.800 8.800 9.312 -0.512 18281 9121 1 12 . 1 1 9 9 GLU N N 9 121.420 121.420 125.999 -4.579 18281 9122 1 12 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.935 0.665 18281 9123 1 12 . 1 1 9 9 GLU C C 9 174.590 174.590 175.045 -0.455 18281 9124 1 12 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.492 -0.722 18281 9125 1 12 . 1 1 9 9 GLU CB C 9 33.750 33.750 30.777 2.973 18281 9126 1 12 . 1 1 9 9 GLU H H 9 8.330 8.330 8.801 -0.471 18281 9127 1 12 . 1 1 10 10 PHE N N 10 121.240 121.240 126.380 -5.140 18281 9128 1 12 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.862 0.158 18281 9129 1 12 . 1 1 10 10 PHE C C 10 173.880 173.880 173.741 0.139 18281 9130 1 12 . 1 1 10 10 PHE CA C 10 55.550 55.550 56.998 -1.448 18281 9131 1 12 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.812 -1.341 18281 9132 1 12 . 1 1 10 10 PHE H H 10 8.760 8.760 9.253 -0.493 18281 9133 1 12 . 1 1 11 11 THR N N 11 113.110 113.110 118.063 -4.953 18281 9134 1 12 . 1 1 11 11 THR HA H 11 5.170 5.170 4.840 0.330 18281 9135 1 12 . 1 1 11 11 THR C C 11 173.530 173.530 173.657 -0.127 18281 9136 1 12 . 1 1 11 11 THR CA C 11 60.940 60.940 60.442 0.498 18281 9137 1 12 . 1 1 11 11 THR CB C 11 71.260 71.260 70.575 0.685 18281 9138 1 12 . 1 1 11 11 THR H H 11 8.470 8.470 7.685 0.785 18281 9139 1 12 . 1 1 12 12 SER N N 12 115.490 115.490 117.894 -2.404 18281 9140 1 12 . 1 1 12 12 SER C C 12 173.530 173.530 173.091 0.439 18281 9141 1 12 . 1 1 12 12 SER CA C 12 56.460 56.460 57.039 -0.579 18281 9142 1 12 . 1 1 12 12 SER CB C 12 66.320 66.320 66.456 -0.136 18281 9143 1 12 . 1 1 12 12 SER H H 12 8.870 8.870 8.903 -0.033 18281 9144 1 12 . 1 1 13 13 ASP N N 13 126.650 126.650 121.545 5.105 18281 9145 1 12 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.671 0.069 18281 9146 1 12 . 1 1 13 13 ASP C C 13 174.520 174.520 176.749 -2.229 18281 9147 1 12 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.465 0.565 18281 9148 1 12 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.171 -0.171 18281 9149 1 12 . 1 1 13 13 ASP H H 13 9.060 9.060 8.488 0.572 18281 9150 1 12 . 1 1 14 14 ILE N N 14 123.580 123.580 117.003 6.577 18281 9151 1 12 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.904 0.446 18281 9152 1 12 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.272 -3.882 18281 9153 1 12 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.726 -0.386 18281 9154 1 12 . 1 1 14 14 ILE H H 14 8.470 8.470 8.196 0.274 18281 9155 1 12 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.525 -0.085 18281 9156 1 12 . 1 1 15 15 PRO C C 15 177.130 177.130 177.461 -0.331 18281 9157 1 12 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.333 0.737 18281 9158 1 12 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.665 0.785 18281 9159 1 12 . 1 1 16 16 ALA N N 16 126.780 126.780 126.354 0.426 18281 9160 1 12 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.027 -0.027 18281 9161 1 12 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.317 -0.217 18281 9162 1 12 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.292 0.008 18281 9163 1 12 . 1 1 16 16 ALA H H 16 8.570 8.570 8.609 -0.039 18281 9164 1 12 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.399 -0.499 18281 9165 1 12 . 1 1 17 17 PRO C C 17 179.610 179.610 179.166 0.444 18281 9166 1 12 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.362 0.648 18281 9167 1 12 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.304 -0.404 18281 9168 1 12 . 1 1 18 18 LYS N N 18 116.630 116.630 118.607 -1.977 18281 9169 1 12 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.211 -0.071 18281 9170 1 12 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.460 -0.190 18281 9171 1 12 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.863 0.458 18281 9172 1 12 . 1 1 18 18 LYS H H 18 6.710 6.710 8.040 -1.330 18281 9173 1 12 . 1 1 19 19 LEU N N 19 118.930 118.930 120.767 -1.837 18281 9174 1 12 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.247 -0.407 18281 9175 1 12 . 1 1 19 19 LEU C C 19 178.380 178.380 177.982 0.398 18281 9176 1 12 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.810 0.620 18281 9177 1 12 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.892 0.198 18281 9178 1 12 . 1 1 19 19 LEU H H 19 7.950 7.950 8.141 -0.191 18281 9179 1 12 . 1 1 20 20 PHE N N 20 118.660 118.660 121.012 -2.352 18281 9180 1 12 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.147 -0.297 18281 9181 1 12 . 1 1 20 20 PHE C C 20 177.680 177.680 177.055 0.625 18281 9182 1 12 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.368 0.512 18281 9183 1 12 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.297 0.123 18281 9184 1 12 . 1 1 20 20 PHE H H 20 9.040 9.040 8.689 0.351 18281 9185 1 12 . 1 1 21 21 LYS N N 21 118.430 118.430 119.706 -1.276 18281 9186 1 12 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.001 -0.231 18281 9187 1 12 . 1 1 21 21 LYS C C 21 176.400 176.400 178.428 -2.028 18281 9188 1 12 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.822 0.338 18281 9189 1 12 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.486 0.514 18281 9190 1 12 . 1 1 21 21 LYS H H 21 7.630 7.630 8.032 -0.402 18281 9191 1 12 . 1 1 22 22 ALA N N 22 118.710 118.710 120.857 -2.147 18281 9192 1 12 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.332 0.438 18281 9193 1 12 . 1 1 22 22 ALA C C 22 175.450 175.450 178.904 -3.454 18281 9194 1 12 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.358 1.182 18281 9195 1 12 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.660 1.540 18281 9196 1 12 . 1 1 22 22 ALA H H 22 7.390 7.390 7.398 -0.008 18281 9197 1 12 . 1 1 23 23 PHE N N 23 109.720 109.720 117.000 -7.280 18281 9198 1 12 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.148 0.092 18281 9199 1 12 . 1 1 23 23 PHE C C 23 174.130 174.130 175.566 -1.436 18281 9200 1 12 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.631 -2.311 18281 9201 1 12 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.831 0.609 18281 9202 1 12 . 1 1 23 23 PHE H H 23 8.400 8.400 8.278 0.122 18281 9203 1 12 . 1 1 24 24 VAL N N 24 113.250 113.250 117.655 -4.405 18281 9204 1 12 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.271 0.049 18281 9205 1 12 . 1 1 24 24 VAL C C 24 177.660 177.660 177.245 0.415 18281 9206 1 12 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.850 -0.350 18281 9207 1 12 . 1 1 24 24 VAL CB C 24 30.880 30.880 31.794 -0.914 18281 9208 1 12 . 1 1 24 24 VAL H H 24 7.220 7.220 7.582 -0.362 18281 9209 1 12 . 1 1 25 25 LEU N N 25 116.250 116.250 122.004 -5.754 18281 9210 1 12 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.010 -0.120 18281 9211 1 12 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.717 0.193 18281 9212 1 12 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.888 -0.888 18281 9213 1 12 . 1 1 25 25 LEU H H 25 7.180 7.180 7.705 -0.525 18281 9214 1 12 . 1 1 26 26 ASP N N 26 117.160 117.160 117.369 -0.209 18281 9215 1 12 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.603 0.697 18281 9216 1 12 . 1 1 26 26 ASP C C 26 177.300 177.300 176.583 0.717 18281 9217 1 12 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.408 -1.238 18281 9218 1 12 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.940 2.980 18281 9219 1 12 . 1 1 26 26 ASP H H 26 8.070 8.070 7.747 0.323 18281 9220 1 12 . 1 1 27 27 ALA N N 27 123.040 123.040 122.722 0.318 18281 9221 1 12 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.626 0.134 18281 9222 1 12 . 1 1 27 27 ALA C C 27 178.900 178.900 178.556 0.344 18281 9223 1 12 . 1 1 27 27 ALA CA C 27 56.040 56.040 55.111 0.929 18281 9224 1 12 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.323 1.107 18281 9225 1 12 . 1 1 27 27 ALA H H 27 6.360 6.360 7.469 -1.109 18281 9226 1 12 . 1 1 28 28 ASP N N 28 115.060 115.060 117.434 -2.374 18281 9227 1 12 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.201 -0.221 18281 9228 1 12 . 1 1 28 28 ASP C C 28 175.850 175.850 176.858 -1.008 18281 9229 1 12 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.012 -1.472 18281 9230 1 12 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.214 -0.574 18281 9231 1 12 . 1 1 28 28 ASP H H 28 8.290 8.290 8.355 -0.065 18281 9232 1 12 . 1 1 29 29 ASN N N 29 113.110 113.110 114.875 -1.765 18281 9233 1 12 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.573 0.157 18281 9234 1 12 . 1 1 29 29 ASN C C 29 176.430 176.430 176.827 -0.397 18281 9235 1 12 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.584 -0.974 18281 9236 1 12 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.131 1.129 18281 9237 1 12 . 1 1 29 29 ASN H H 29 7.360 7.360 7.184 0.176 18281 9238 1 12 . 1 1 30 30 LEU N N 30 120.630 120.630 122.169 -1.539 18281 9239 1 12 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.852 0.168 18281 9240 1 12 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.476 0.324 18281 9241 1 12 . 1 1 30 30 LEU CB C 30 42.780 42.780 40.998 1.782 18281 9242 1 12 . 1 1 30 30 LEU H H 30 8.320 8.320 8.511 -0.191 18281 9243 1 12 . 1 1 31 31 ILE N N 31 116.170 116.170 119.226 -3.056 18281 9244 1 12 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.548 0.102 18281 9245 1 12 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.530 -0.730 18281 9246 1 12 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.251 -1.341 18281 9247 1 12 . 1 1 31 31 ILE H H 31 8.140 8.140 7.709 0.431 18281 9248 1 12 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.219 0.301 18281 9249 1 12 . 1 1 32 32 PRO C C 32 177.680 177.680 177.718 -0.038 18281 9250 1 12 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.395 1.125 18281 9251 1 12 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.222 0.298 18281 9252 1 12 . 1 1 33 33 LYS N N 33 112.410 112.410 118.017 -5.607 18281 9253 1 12 . 1 1 33 33 LYS HA H 33 4.150 4.150 3.986 0.164 18281 9254 1 12 . 1 1 33 33 LYS C C 33 178.220 178.220 178.817 -0.597 18281 9255 1 12 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.852 0.438 18281 9256 1 12 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.009 0.901 18281 9257 1 12 . 1 1 33 33 LYS H H 33 6.880 6.880 7.550 -0.670 18281 9258 1 12 . 1 1 34 34 ILE N N 34 112.260 112.260 116.465 -4.205 18281 9259 1 12 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.946 0.374 18281 9260 1 12 . 1 1 34 34 ILE C C 34 175.920 175.920 176.053 -0.133 18281 9261 1 12 . 1 1 34 34 ILE CA C 34 61.820 61.820 62.729 -0.909 18281 9262 1 12 . 1 1 34 34 ILE CB C 34 39.350 39.350 37.745 1.605 18281 9263 1 12 . 1 1 34 34 ILE H H 34 7.560 7.560 7.618 -0.058 18281 9264 1 12 . 1 1 35 35 ALA N N 35 124.420 124.420 120.087 4.333 18281 9265 1 12 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.703 0.267 18281 9266 1 12 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.593 -0.233 18281 9267 1 12 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.997 0.263 18281 9268 1 12 . 1 1 35 35 ALA H H 35 8.820 8.820 6.972 1.848 18281 9269 1 12 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.257 0.473 18281 9270 1 12 . 1 1 36 36 PRO C C 36 177.890 177.890 177.667 0.223 18281 9271 1 12 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.697 -0.457 18281 9272 1 12 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.383 -0.703 18281 9273 1 12 . 1 1 37 37 GLN N N 37 115.580 115.580 116.696 -1.116 18281 9274 1 12 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.121 0.129 18281 9275 1 12 . 1 1 37 37 GLN C C 37 177.740 177.740 177.074 0.666 18281 9276 1 12 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.841 -0.531 18281 9277 1 12 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.983 -0.463 18281 9278 1 12 . 1 1 37 37 GLN H H 37 8.660 8.660 8.536 0.124 18281 9279 1 12 . 1 1 38 38 ALA N N 38 123.250 123.250 120.344 2.906 18281 9280 1 12 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.434 -0.044 18281 9281 1 12 . 1 1 38 38 ALA C C 38 177.850 177.850 177.234 0.616 18281 9282 1 12 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.559 -0.059 18281 9283 1 12 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.565 0.265 18281 9284 1 12 . 1 1 38 38 ALA H H 38 8.030 8.030 7.426 0.604 18281 9285 1 12 . 1 1 39 39 VAL N N 39 117.330 117.330 114.792 2.538 18281 9286 1 12 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.238 -0.108 18281 9287 1 12 . 1 1 39 39 VAL C C 39 172.750 172.750 175.351 -2.601 18281 9288 1 12 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.998 1.452 18281 9289 1 12 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.757 -1.127 18281 9290 1 12 . 1 1 39 39 VAL H H 39 7.660 7.660 7.341 0.319 18281 9291 1 12 . 1 1 40 40 LYS N N 40 125.270 125.270 127.011 -1.741 18281 9292 1 12 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.179 0.281 18281 9293 1 12 . 1 1 40 40 LYS C C 40 177.240 177.240 176.543 0.697 18281 9294 1 12 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.234 -0.784 18281 9295 1 12 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.471 0.529 18281 9296 1 12 . 1 1 40 40 LYS H H 40 8.910 8.910 8.649 0.261 18281 9297 1 12 . 1 1 41 41 CYS N N 41 112.210 112.210 115.990 -3.780 18281 9298 1 12 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.381 0.179 18281 9299 1 12 . 1 1 41 41 CYS C C 41 170.900 170.900 172.524 -1.624 18281 9300 1 12 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.808 -1.788 18281 9301 1 12 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.624 0.176 18281 9302 1 12 . 1 1 41 41 CYS H H 41 7.680 7.680 7.776 -0.096 18281 9303 1 12 . 1 1 42 42 ALA N N 42 125.620 125.620 129.063 -3.443 18281 9304 1 12 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.626 0.594 18281 9305 1 12 . 1 1 42 42 ALA C C 42 175.690 175.690 176.269 -0.579 18281 9306 1 12 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.304 -0.324 18281 9307 1 12 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.594 2.406 18281 9308 1 12 . 1 1 42 42 ALA H H 42 8.700 8.700 8.521 0.179 18281 9309 1 12 . 1 1 43 43 GLU N N 43 120.730 120.730 123.510 -2.780 18281 9310 1 12 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.688 -0.028 18281 9311 1 12 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.693 -0.323 18281 9312 1 12 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.459 0.661 18281 9313 1 12 . 1 1 43 43 GLU H H 43 8.810 8.810 8.207 0.603 18281 9314 1 12 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.410 -0.370 18281 9315 1 12 . 1 1 44 44 ILE C C 44 176.190 176.190 176.066 0.124 18281 9316 1 12 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.799 1.191 18281 9317 1 12 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.480 -0.700 18281 9318 1 12 . 1 1 45 45 LEU N N 45 129.030 129.030 128.405 0.625 18281 9319 1 12 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.193 0.257 18281 9320 1 12 . 1 1 45 45 LEU C C 45 177.270 177.270 177.331 -0.061 18281 9321 1 12 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.278 -1.268 18281 9322 1 12 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.546 -0.066 18281 9323 1 12 . 1 1 45 45 LEU H H 45 9.090 9.090 9.019 0.071 18281 9324 1 12 . 1 1 46 46 GLU N N 46 116.640 116.640 113.849 2.791 18281 9325 1 12 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.479 0.131 18281 9326 1 12 . 1 1 46 46 GLU C C 46 174.840 174.840 175.686 -0.846 18281 9327 1 12 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.653 -0.043 18281 9328 1 12 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.038 0.532 18281 9329 1 12 . 1 1 46 46 GLU H H 46 7.700 7.700 7.544 0.156 18281 9330 1 12 . 1 1 47 47 GLY N N 47 110.230 110.230 110.179 0.051 18281 9331 1 12 . 1 1 47 47 GLY C C 47 173.630 173.630 173.747 -0.117 18281 9332 1 12 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.723 -1.043 18281 9333 1 12 . 1 1 47 47 GLY H H 47 8.620 8.620 8.755 -0.135 18281 9334 1 12 . 1 1 48 48 ASP N N 48 115.220 115.220 121.501 -6.281 18281 9335 1 12 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.318 0.452 18281 9336 1 12 . 1 1 48 48 ASP C C 48 177.340 177.340 175.970 1.370 18281 9337 1 12 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.738 -1.818 18281 9338 1 12 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.609 2.071 18281 9339 1 12 . 1 1 48 48 ASP H H 48 7.960 7.960 8.377 -0.417 18281 9340 1 12 . 1 1 49 49 GLY N N 49 110.900 110.900 104.665 6.235 18281 9341 1 12 . 1 1 49 49 GLY C C 49 174.750 174.750 173.653 1.097 18281 9342 1 12 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.289 0.021 18281 9343 1 12 . 1 1 49 49 GLY H H 49 8.750 8.750 8.465 0.285 18281 9344 1 12 . 1 1 50 50 GLY N N 50 107.020 107.020 107.290 -0.270 18281 9345 1 12 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.778 0.822 18281 9346 1 12 . 1 1 50 50 GLY H H 50 8.300 8.300 8.270 0.030 18281 9347 1 12 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.196 -0.236 18281 9348 1 12 . 1 1 51 51 PRO C C 51 176.780 176.780 176.883 -0.103 18281 9349 1 12 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.522 1.478 18281 9350 1 12 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.668 0.202 18281 9351 1 12 . 1 1 52 52 GLY N N 52 114.320 114.320 114.531 -0.211 18281 9352 1 12 . 1 1 52 52 GLY C C 52 174.170 174.170 174.533 -0.363 18281 9353 1 12 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.407 -0.727 18281 9354 1 12 . 1 1 52 52 GLY H H 52 9.240 9.240 8.961 0.279 18281 9355 1 12 . 1 1 53 53 THR N N 53 118.900 118.900 116.404 2.496 18281 9356 1 12 . 1 1 53 53 THR HA H 53 4.660 4.660 4.551 0.109 18281 9357 1 12 . 1 1 53 53 THR C C 53 173.510 173.510 174.059 -0.549 18281 9358 1 12 . 1 1 53 53 THR CA C 53 64.580 64.580 64.470 0.110 18281 9359 1 12 . 1 1 53 53 THR CB C 53 70.070 70.070 70.010 0.060 18281 9360 1 12 . 1 1 53 53 THR H H 53 7.910 7.910 7.426 0.484 18281 9361 1 12 . 1 1 54 54 ILE N N 54 124.830 124.830 125.931 -1.101 18281 9362 1 12 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.516 0.794 18281 9363 1 12 . 1 1 54 54 ILE C C 54 175.260 175.260 174.599 0.661 18281 9364 1 12 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.427 -0.557 18281 9365 1 12 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.884 -0.434 18281 9366 1 12 . 1 1 54 54 ILE H H 54 8.550 8.550 8.873 -0.323 18281 9367 1 12 . 1 1 55 55 LYS N N 55 126.970 126.970 126.093 0.877 18281 9368 1 12 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.245 0.055 18281 9369 1 12 . 1 1 55 55 LYS C C 55 173.950 173.950 175.115 -1.165 18281 9370 1 12 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.385 -0.555 18281 9371 1 12 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.331 0.399 18281 9372 1 12 . 1 1 55 55 LYS H H 55 9.400 9.400 8.983 0.417 18281 9373 1 12 . 1 1 56 56 LYS N N 56 124.220 124.220 123.888 0.332 18281 9374 1 12 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.723 0.557 18281 9375 1 12 . 1 1 56 56 LYS C C 56 175.230 175.230 174.371 0.859 18281 9376 1 12 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.633 -0.843 18281 9377 1 12 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.065 -0.005 18281 9378 1 12 . 1 1 56 56 LYS H H 56 9.360 9.360 9.033 0.327 18281 9379 1 12 . 1 1 57 57 ILE N N 57 132.380 132.380 128.092 4.288 18281 9380 1 12 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.332 0.308 18281 9381 1 12 . 1 1 57 57 ILE C C 57 174.840 174.840 174.604 0.236 18281 9382 1 12 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.105 0.375 18281 9383 1 12 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.961 -1.691 18281 9384 1 12 . 1 1 57 57 ILE H H 57 9.240 9.240 8.991 0.249 18281 9385 1 12 . 1 1 58 58 THR N N 58 122.310 122.310 121.754 0.556 18281 9386 1 12 . 1 1 58 58 THR HA H 58 5.180 5.180 4.668 0.512 18281 9387 1 12 . 1 1 58 58 THR C C 58 174.260 174.260 173.014 1.246 18281 9388 1 12 . 1 1 58 58 THR CA C 58 61.720 61.720 61.499 0.221 18281 9389 1 12 . 1 1 58 58 THR CB C 58 70.640 70.640 70.292 0.348 18281 9390 1 12 . 1 1 58 58 THR H H 58 8.720 8.720 8.285 0.435 18281 9391 1 12 . 1 1 59 59 PHE N N 59 124.570 124.570 124.483 0.087 18281 9392 1 12 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.877 0.143 18281 9393 1 12 . 1 1 59 59 PHE C C 59 174.510 174.510 175.969 -1.459 18281 9394 1 12 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.075 -0.625 18281 9395 1 12 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.168 -0.158 18281 9396 1 12 . 1 1 59 59 PHE H H 59 8.570 8.570 8.389 0.181 18281 9397 1 12 . 1 1 60 60 GLY N N 60 104.600 104.600 112.303 -7.703 18281 9398 1 12 . 1 1 60 60 GLY C C 60 173.500 173.500 174.895 -1.395 18281 9399 1 12 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.884 -0.054 18281 9400 1 12 . 1 1 60 60 GLY H H 60 7.800 7.800 8.057 -0.257 18281 9401 1 12 . 1 1 61 61 GLU N N 61 119.400 119.400 121.758 -2.358 18281 9402 1 12 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.110 0.000 18281 9403 1 12 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.655 -0.855 18281 9404 1 12 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.869 1.071 18281 9405 1 12 . 1 1 61 61 GLU H H 61 8.290 8.290 8.791 -0.501 18281 9406 1 12 . 1 1 62 62 GLY N N 62 110.940 110.940 104.921 6.019 18281 9407 1 12 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.415 1.785 18281 9408 1 12 . 1 1 62 62 GLY H H 62 8.870 8.870 8.225 0.645 18281 9409 1 12 . 1 1 66 66 GLY C C 66 176.930 176.930 172.640 4.290 18281 9410 1 12 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.208 -0.128 18281 9411 1 12 . 1 1 67 67 TYR N N 67 115.490 115.490 115.598 -0.108 18281 9412 1 12 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.623 -0.043 18281 9413 1 12 . 1 1 67 67 TYR C C 67 175.470 175.470 173.236 2.234 18281 9414 1 12 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.903 0.017 18281 9415 1 12 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.076 0.644 18281 9416 1 12 . 1 1 67 67 TYR H H 67 8.110 8.110 7.462 0.648 18281 9417 1 12 . 1 1 68 68 VAL N N 68 111.980 111.980 122.168 -10.188 18281 9418 1 12 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.503 0.517 18281 9419 1 12 . 1 1 68 68 VAL C C 68 175.480 175.480 174.941 0.539 18281 9420 1 12 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.329 -1.829 18281 9421 1 12 . 1 1 68 68 VAL CB C 68 36.460 36.460 36.047 0.413 18281 9422 1 12 . 1 1 68 68 VAL H H 68 8.840 8.840 8.603 0.237 18281 9423 1 12 . 1 1 69 69 LYS N N 69 118.430 118.430 123.517 -5.087 18281 9424 1 12 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.043 0.657 18281 9425 1 12 . 1 1 69 69 LYS C C 69 175.740 175.740 175.048 0.692 18281 9426 1 12 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.597 0.773 18281 9427 1 12 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.642 0.938 18281 9428 1 12 . 1 1 69 69 LYS H H 69 8.590 8.590 9.078 -0.488 18281 9429 1 12 . 1 1 70 70 HIS N N 70 122.590 122.590 121.325 1.265 18281 9430 1 12 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.306 0.884 18281 9431 1 12 . 1 1 70 70 HIS C C 70 174.590 174.590 173.458 1.132 18281 9432 1 12 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.450 -3.610 18281 9433 1 12 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.660 2.350 18281 9434 1 12 . 1 1 70 70 HIS H H 70 9.160 9.160 8.565 0.595 18281 9435 1 12 . 1 1 71 71 LYS N N 71 122.760 122.760 122.892 -0.132 18281 9436 1 12 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.439 0.051 18281 9437 1 12 . 1 1 71 71 LYS C C 71 175.500 175.500 174.739 0.761 18281 9438 1 12 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.829 0.211 18281 9439 1 12 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.589 -0.719 18281 9440 1 12 . 1 1 71 71 LYS H H 71 9.460 9.460 9.434 0.026 18281 9441 1 12 . 1 1 72 72 ILE N N 72 127.870 127.870 126.149 1.721 18281 9442 1 12 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.281 -0.401 18281 9443 1 12 . 1 1 72 72 ILE C C 72 175.430 175.430 175.730 -0.300 18281 9444 1 12 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.661 1.739 18281 9445 1 12 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.495 -1.455 18281 9446 1 12 . 1 1 72 72 ILE H H 72 9.320 9.320 8.638 0.682 18281 9447 1 12 . 1 1 73 73 HIS N N 73 127.690 127.690 126.637 1.053 18281 9448 1 12 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.664 0.456 18281 9449 1 12 . 1 1 73 73 HIS C C 73 176.240 176.240 175.128 1.112 18281 9450 1 12 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.470 -0.500 18281 9451 1 12 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.359 0.581 18281 9452 1 12 . 1 1 73 73 HIS H H 73 9.080 9.080 8.299 0.781 18281 9453 1 12 . 1 1 74 74 SER N N 74 110.900 110.900 111.341 -0.441 18281 9454 1 12 . 1 1 74 74 SER HA H 74 4.760 4.760 4.723 0.037 18281 9455 1 12 . 1 1 74 74 SER C C 74 172.620 172.620 172.153 0.467 18281 9456 1 12 . 1 1 74 74 SER CA C 74 57.880 57.880 57.605 0.275 18281 9457 1 12 . 1 1 74 74 SER CB C 74 66.790 66.790 65.998 0.792 18281 9458 1 12 . 1 1 74 74 SER H H 74 8.180 8.180 7.548 0.632 18281 9459 1 12 . 1 1 75 75 ILE N N 75 123.780 123.780 117.774 6.006 18281 9460 1 12 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.802 -0.122 18281 9461 1 12 . 1 1 75 75 ILE C C 75 174.010 174.010 174.256 -0.246 18281 9462 1 12 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.591 2.549 18281 9463 1 12 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.717 -0.407 18281 9464 1 12 . 1 1 75 75 ILE H H 75 8.730 8.730 8.266 0.464 18281 9465 1 12 . 1 1 76 76 ASP N N 76 127.280 127.280 126.175 1.105 18281 9466 1 12 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.071 0.009 18281 9467 1 12 . 1 1 76 76 ASP C C 76 176.680 176.680 176.028 0.652 18281 9468 1 12 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.271 -1.141 18281 9469 1 12 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.571 -0.021 18281 9470 1 12 . 1 1 76 76 ASP H H 76 9.110 9.110 9.140 -0.030 18281 9471 1 12 . 1 1 77 77 LYS N N 77 122.400 122.400 123.266 -0.866 18281 9472 1 12 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.574 0.406 18281 9473 1 12 . 1 1 77 77 LYS C C 77 175.980 175.980 177.387 -1.407 18281 9474 1 12 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.467 -2.047 18281 9475 1 12 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.410 0.370 18281 9476 1 12 . 1 1 77 77 LYS H H 77 8.890 8.890 8.730 0.160 18281 9477 1 12 . 1 1 78 78 VAL N N 78 119.300 119.300 118.195 1.105 18281 9478 1 12 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.583 0.077 18281 9479 1 12 . 1 1 78 78 VAL C C 78 176.290 176.290 176.573 -0.283 18281 9480 1 12 . 1 1 78 78 VAL CA C 78 64.420 64.420 65.100 -0.680 18281 9481 1 12 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.442 0.658 18281 9482 1 12 . 1 1 78 78 VAL H H 78 8.110 8.110 8.028 0.082 18281 9483 1 12 . 1 1 79 79 ASN N N 79 114.400 114.400 114.487 -0.087 18281 9484 1 12 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.651 -0.171 18281 9485 1 12 . 1 1 79 79 ASN C C 79 173.670 173.670 174.840 -1.170 18281 9486 1 12 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.872 -0.332 18281 9487 1 12 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.960 1.130 18281 9488 1 12 . 1 1 79 79 ASN H H 79 7.700 7.700 8.144 -0.444 18281 9489 1 12 . 1 1 80 80 HIS N N 80 115.530 115.530 114.943 0.587 18281 9490 1 12 . 1 1 80 80 HIS C C 80 173.450 173.450 173.691 -0.241 18281 9491 1 12 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.892 -0.362 18281 9492 1 12 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.887 0.313 18281 9493 1 12 . 1 1 80 80 HIS H H 80 6.980 6.980 6.909 0.071 18281 9494 1 12 . 1 1 81 81 THR N N 81 109.600 109.600 114.105 -4.505 18281 9495 1 12 . 1 1 81 81 THR HA H 81 5.730 5.730 5.077 0.653 18281 9496 1 12 . 1 1 81 81 THR C C 81 172.980 172.980 172.850 0.130 18281 9497 1 12 . 1 1 81 81 THR CA C 81 60.190 60.190 61.860 -1.670 18281 9498 1 12 . 1 1 81 81 THR CB C 81 71.740 71.740 71.296 0.444 18281 9499 1 12 . 1 1 81 81 THR H H 81 7.990 7.990 7.995 -0.005 18281 9500 1 12 . 1 1 82 82 TYR N N 82 125.000 125.000 128.400 -3.400 18281 9501 1 12 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.929 0.771 18281 9502 1 12 . 1 1 82 82 TYR C C 82 173.600 173.600 173.024 0.576 18281 9503 1 12 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.009 -1.679 18281 9504 1 12 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.535 0.275 18281 9505 1 12 . 1 1 82 82 TYR H H 82 9.300 9.300 9.831 -0.531 18281 9506 1 12 . 1 1 83 83 SER N N 83 121.820 121.820 122.473 -0.653 18281 9507 1 12 . 1 1 83 83 SER HA H 83 5.670 5.670 5.055 0.615 18281 9508 1 12 . 1 1 83 83 SER C C 83 173.490 173.490 172.646 0.844 18281 9509 1 12 . 1 1 83 83 SER CA C 83 56.420 56.420 56.436 -0.016 18281 9510 1 12 . 1 1 83 83 SER CB C 83 65.520 65.520 65.118 0.402 18281 9511 1 12 . 1 1 83 83 SER H H 83 9.090 9.090 7.987 1.103 18281 9512 1 12 . 1 1 84 84 TYR N N 84 122.970 122.970 123.506 -0.536 18281 9513 1 12 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.238 -0.008 18281 9514 1 12 . 1 1 84 84 TYR C C 84 172.530 172.530 173.152 -0.622 18281 9515 1 12 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.202 0.218 18281 9516 1 12 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.304 -0.354 18281 9517 1 12 . 1 1 84 84 TYR H H 84 8.790 8.790 9.031 -0.241 18281 9518 1 12 . 1 1 85 85 SER N N 85 114.200 114.200 114.915 -0.715 18281 9519 1 12 . 1 1 85 85 SER HA H 85 5.700 5.700 5.391 0.309 18281 9520 1 12 . 1 1 85 85 SER C C 85 173.180 173.180 172.619 0.561 18281 9521 1 12 . 1 1 85 85 SER CA C 85 57.510 57.510 57.718 -0.208 18281 9522 1 12 . 1 1 85 85 SER CB C 85 65.940 65.940 67.420 -1.480 18281 9523 1 12 . 1 1 85 85 SER H H 85 9.350 9.350 9.419 -0.069 18281 9524 1 12 . 1 1 86 86 LEU N N 86 128.880 128.880 125.052 3.828 18281 9525 1 12 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.685 0.545 18281 9526 1 12 . 1 1 86 86 LEU C C 86 176.230 176.230 176.309 -0.079 18281 9527 1 12 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.841 0.749 18281 9528 1 12 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.427 0.723 18281 9529 1 12 . 1 1 86 86 LEU H H 86 9.900 9.900 9.085 0.815 18281 9530 1 12 . 1 1 87 87 ILE N N 87 115.900 115.900 126.405 -10.505 18281 9531 1 12 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.027 0.903 18281 9532 1 12 . 1 1 87 87 ILE C C 87 176.080 176.080 175.867 0.213 18281 9533 1 12 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.155 -2.885 18281 9534 1 12 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.878 0.952 18281 9535 1 12 . 1 1 87 87 ILE H H 87 8.180 8.180 8.965 -0.785 18281 9536 1 12 . 1 1 88 88 GLU N N 88 121.920 121.920 117.385 4.535 18281 9537 1 12 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.580 -0.070 18281 9538 1 12 . 1 1 88 88 GLU C C 88 174.020 174.020 175.521 -1.501 18281 9539 1 12 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.441 2.599 18281 9540 1 12 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.440 2.530 18281 9541 1 12 . 1 1 88 88 GLU H H 88 7.650 7.650 7.658 -0.008 18281 9542 1 12 . 1 1 89 89 GLY N N 89 111.650 111.650 107.002 4.648 18281 9543 1 12 . 1 1 89 89 GLY C C 89 173.800 173.800 173.332 0.468 18281 9544 1 12 . 1 1 89 89 GLY CA C 89 44.950 44.950 45.014 -0.063 18281 9545 1 12 . 1 1 89 89 GLY H H 89 8.830 8.830 8.038 0.792 18281 9546 1 12 . 1 1 90 90 ASP N N 90 119.650 119.650 121.872 -2.222 18281 9547 1 12 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.386 -0.026 18281 9548 1 12 . 1 1 90 90 ASP C C 90 176.570 176.570 177.860 -1.290 18281 9549 1 12 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.555 0.485 18281 9550 1 12 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.563 0.717 18281 9551 1 12 . 1 1 90 90 ASP H H 90 8.430 8.430 8.506 -0.076 18281 9552 1 12 . 1 1 91 91 ALA N N 91 118.530 118.530 120.389 -1.859 18281 9553 1 12 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.122 0.118 18281 9554 1 12 . 1 1 91 91 ALA C C 91 177.740 177.740 178.714 -0.974 18281 9555 1 12 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.122 -0.912 18281 9556 1 12 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.740 0.570 18281 9557 1 12 . 1 1 91 91 ALA H H 91 7.810 7.810 8.157 -0.347 18281 9558 1 12 . 1 1 92 92 LEU N N 92 117.330 117.330 116.610 0.720 18281 9559 1 12 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.207 0.253 18281 9560 1 12 . 1 1 92 92 LEU C C 92 176.210 176.210 177.626 -1.416 18281 9561 1 12 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.038 -1.018 18281 9562 1 12 . 1 1 92 92 LEU CB C 92 40.210 40.210 41.675 -1.465 18281 9563 1 12 . 1 1 92 92 LEU H H 92 7.600 7.600 7.494 0.106 18281 9564 1 12 . 1 1 93 93 SER N N 93 115.780 115.780 112.588 3.192 18281 9565 1 12 . 1 1 93 93 SER HA H 93 4.620 4.620 4.082 0.538 18281 9566 1 12 . 1 1 93 93 SER C C 93 173.970 173.970 173.904 0.066 18281 9567 1 12 . 1 1 93 93 SER CA C 93 57.730 57.730 60.147 -2.417 18281 9568 1 12 . 1 1 93 93 SER CB C 93 64.920 64.920 63.551 1.369 18281 9569 1 12 . 1 1 93 93 SER H H 93 7.910 7.910 7.315 0.595 18281 9570 1 12 . 1 1 94 94 GLU N N 94 119.400 119.400 119.810 -0.410 18281 9571 1 12 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.244 -0.084 18281 9572 1 12 . 1 1 94 94 GLU C C 94 176.570 176.570 175.667 0.903 18281 9573 1 12 . 1 1 94 94 GLU CA C 94 58.700 58.700 56.619 2.081 18281 9574 1 12 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.927 -0.718 18281 9575 1 12 . 1 1 94 94 GLU H H 94 8.850 8.850 8.571 0.279 18281 9576 1 12 . 1 1 95 95 ASN N N 95 113.460 113.460 115.449 -1.989 18281 9577 1 12 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.778 0.022 18281 9578 1 12 . 1 1 95 95 ASN C C 95 174.070 174.070 174.837 -0.767 18281 9579 1 12 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.427 0.693 18281 9580 1 12 . 1 1 95 95 ASN CB C 95 39.350 39.350 40.281 -0.931 18281 9581 1 12 . 1 1 95 95 ASN H H 95 8.290 8.290 7.557 0.733 18281 9582 1 12 . 1 1 96 96 ILE N N 96 120.610 120.610 121.287 -0.677 18281 9583 1 12 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.310 -0.120 18281 9584 1 12 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.045 -0.115 18281 9585 1 12 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.116 -0.246 18281 9586 1 12 . 1 1 96 96 ILE H H 96 7.770 7.770 8.100 -0.330 18281 9587 1 12 . 1 1 97 97 GLU N N 97 126.670 126.670 127.311 -0.641 18281 9588 1 12 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.355 0.435 18281 9589 1 12 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.934 0.266 18281 9590 1 12 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.955 1.995 18281 9591 1 12 . 1 1 97 97 GLU H H 97 8.460 8.460 8.759 -0.299 18281 9592 1 12 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.227 0.483 18281 9593 1 12 . 1 1 98 98 LYS C C 98 173.650 173.650 176.629 -2.979 18281 9594 1 12 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.708 -1.738 18281 9595 1 12 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.358 1.442 18281 9596 1 12 . 1 1 99 99 ILE N N 99 120.290 120.290 119.382 0.908 18281 9597 1 12 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.549 0.241 18281 9598 1 12 . 1 1 99 99 ILE C C 99 174.690 174.690 174.246 0.444 18281 9599 1 12 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.007 0.293 18281 9600 1 12 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.473 0.077 18281 9601 1 12 . 1 1 99 99 ILE H H 99 7.720 7.720 8.054 -0.334 18281 9602 1 12 . 1 1 100 100 ASP N N 100 126.970 126.970 125.693 1.277 18281 9603 1 12 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.876 0.224 18281 9604 1 12 . 1 1 100 100 ASP C C 100 174.490 174.490 174.602 -0.112 18281 9605 1 12 . 1 1 100 100 ASP CA C 100 52.630 52.630 51.887 0.743 18281 9606 1 12 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.203 0.647 18281 9607 1 12 . 1 1 100 100 ASP H H 100 9.220 9.220 8.394 0.826 18281 9608 1 12 . 1 1 101 101 TYR N N 101 120.640 120.640 124.026 -3.386 18281 9609 1 12 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.835 0.445 18281 9610 1 12 . 1 1 101 101 TYR C C 101 175.740 175.740 175.036 0.704 18281 9611 1 12 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.516 0.464 18281 9612 1 12 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.282 0.358 18281 9613 1 12 . 1 1 101 101 TYR H H 101 9.140 9.140 8.874 0.266 18281 9614 1 12 . 1 1 102 102 GLU N N 102 122.040 122.040 122.395 -0.355 18281 9615 1 12 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.838 0.292 18281 9616 1 12 . 1 1 102 102 GLU C C 102 175.360 175.360 175.672 -0.312 18281 9617 1 12 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.384 0.486 18281 9618 1 12 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.016 -0.946 18281 9619 1 12 . 1 1 102 102 GLU H H 102 8.670 8.670 9.090 -0.420 18281 9620 1 12 . 1 1 103 103 THR N N 103 125.840 125.840 120.988 4.852 18281 9621 1 12 . 1 1 103 103 THR HA H 103 5.580 5.580 4.818 0.762 18281 9622 1 12 . 1 1 103 103 THR C C 103 172.780 172.780 173.000 -0.220 18281 9623 1 12 . 1 1 103 103 THR CA C 103 62.150 62.150 62.003 0.147 18281 9624 1 12 . 1 1 103 103 THR CB C 103 71.750 71.750 71.700 0.050 18281 9625 1 12 . 1 1 103 103 THR H H 103 9.550 9.550 9.539 0.011 18281 9626 1 12 . 1 1 104 104 LYS N N 104 126.990 126.990 127.056 -0.066 18281 9627 1 12 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.899 0.341 18281 9628 1 12 . 1 1 104 104 LYS C C 104 174.300 174.300 174.114 0.186 18281 9629 1 12 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.447 -0.117 18281 9630 1 12 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.222 -0.282 18281 9631 1 12 . 1 1 104 104 LYS H H 104 9.430 9.430 8.652 0.778 18281 9632 1 12 . 1 1 105 105 LEU N N 105 124.700 124.700 127.563 -2.863 18281 9633 1 12 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.599 0.611 18281 9634 1 12 . 1 1 105 105 LEU C C 105 175.780 175.780 175.754 0.026 18281 9635 1 12 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.851 0.769 18281 9636 1 12 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.274 0.676 18281 9637 1 12 . 1 1 105 105 LEU H H 105 8.410 8.410 8.971 -0.561 18281 9638 1 12 . 1 1 106 106 VAL N N 106 123.290 123.290 123.787 -0.497 18281 9639 1 12 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.257 0.173 18281 9640 1 12 . 1 1 106 106 VAL C C 106 175.560 175.560 174.404 1.156 18281 9641 1 12 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.641 -0.171 18281 9642 1 12 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.847 -0.827 18281 9643 1 12 . 1 1 106 106 VAL H H 106 9.180 9.180 8.960 0.220 18281 9644 1 12 . 1 1 107 107 SER N N 107 121.800 121.800 119.318 2.482 18281 9645 1 12 . 1 1 107 107 SER HA H 107 4.660 4.660 4.705 -0.045 18281 9646 1 12 . 1 1 107 107 SER C C 107 173.600 173.600 173.185 0.415 18281 9647 1 12 . 1 1 107 107 SER CA C 107 59.860 59.860 56.972 2.888 18281 9648 1 12 . 1 1 107 107 SER CB C 107 63.250 63.250 65.115 -1.865 18281 9649 1 12 . 1 1 107 107 SER H H 107 8.910 8.910 8.362 0.548 18281 9650 1 12 . 1 1 108 108 ALA N N 108 129.210 129.210 125.766 3.444 18281 9651 1 12 . 1 1 108 108 ALA HA H 108 4.630 4.630 5.019 -0.389 18281 9652 1 12 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.958 0.662 18281 9653 1 12 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.987 -0.187 18281 9654 1 12 . 1 1 108 108 ALA H H 108 8.310 8.310 8.255 0.055 18281 9655 1 12 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.289 0.131 18281 9656 1 12 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.697 -0.997 18281 9657 1 12 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.650 0.550 18281 9658 1 12 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.424 0.346 18281 9659 1 12 . 1 1 110 110 HIS C C 110 175.760 175.760 176.298 -0.538 18281 9660 1 12 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.438 -1.048 18281 9661 1 12 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.521 -0.111 18281 9662 1 12 . 1 1 111 111 GLY N N 111 108.720 108.720 106.118 2.602 18281 9663 1 12 . 1 1 111 111 GLY C C 111 174.390 174.390 174.324 0.066 18281 9664 1 12 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.250 -0.120 18281 9665 1 12 . 1 1 111 111 GLY H H 111 7.730 7.730 7.882 -0.152 18281 9666 1 12 . 1 1 112 112 GLY N N 112 107.670 107.670 108.617 -0.947 18281 9667 1 12 . 1 1 112 112 GLY C C 112 174.150 174.150 173.027 1.123 18281 9668 1 12 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.002 0.418 18281 9669 1 12 . 1 1 112 112 GLY H H 112 7.600 7.600 8.001 -0.401 18281 9670 1 12 . 1 1 113 113 THR N N 113 119.830 119.830 116.062 3.768 18281 9671 1 12 . 1 1 113 113 THR HA H 113 5.060 5.060 4.639 0.421 18281 9672 1 12 . 1 1 113 113 THR C C 113 173.250 173.250 173.235 0.015 18281 9673 1 12 . 1 1 113 113 THR CA C 113 62.990 62.990 62.288 0.702 18281 9674 1 12 . 1 1 113 113 THR CB C 113 72.270 72.270 71.010 1.260 18281 9675 1 12 . 1 1 113 113 THR H H 113 9.070 9.070 7.941 1.129 18281 9676 1 12 . 1 1 114 114 ILE N N 114 127.600 127.600 127.474 0.126 18281 9677 1 12 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.577 -0.067 18281 9678 1 12 . 1 1 114 114 ILE C C 114 174.370 174.370 174.518 -0.148 18281 9679 1 12 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.514 0.646 18281 9680 1 12 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.485 0.485 18281 9681 1 12 . 1 1 114 114 ILE H H 114 9.490 9.490 9.155 0.336 18281 9682 1 12 . 1 1 115 115 ILE N N 115 129.200 129.200 127.766 1.434 18281 9683 1 12 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.770 -0.270 18281 9684 1 12 . 1 1 115 115 ILE C C 115 175.000 175.000 174.846 0.154 18281 9685 1 12 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.944 1.456 18281 9686 1 12 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.210 -2.210 18281 9687 1 12 . 1 1 115 115 ILE H H 115 9.220 9.220 9.109 0.111 18281 9688 1 12 . 1 1 116 116 LYS N N 116 127.550 127.550 128.299 -0.749 18281 9689 1 12 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.398 -0.228 18281 9690 1 12 . 1 1 116 116 LYS C C 116 176.300 176.300 175.693 0.607 18281 9691 1 12 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.935 0.435 18281 9692 1 12 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.038 -0.458 18281 9693 1 12 . 1 1 116 116 LYS H H 116 9.130 9.130 8.504 0.626 18281 9694 1 12 . 1 1 117 117 THR N N 117 120.940 120.940 122.117 -1.177 18281 9695 1 12 . 1 1 117 117 THR HA H 117 5.730 5.730 5.187 0.543 18281 9696 1 12 . 1 1 117 117 THR C C 117 174.620 174.620 173.667 0.953 18281 9697 1 12 . 1 1 117 117 THR CA C 117 60.990 60.990 61.787 -0.797 18281 9698 1 12 . 1 1 117 117 THR CB C 117 71.750 71.750 71.944 -0.194 18281 9699 1 12 . 1 1 117 117 THR H H 117 9.020 9.020 9.239 -0.219 18281 9700 1 12 . 1 1 118 118 THR N N 118 125.750 125.750 123.968 1.782 18281 9701 1 12 . 1 1 118 118 THR HA H 118 5.170 5.170 5.297 -0.127 18281 9702 1 12 . 1 1 118 118 THR C C 118 173.760 173.760 173.458 0.302 18281 9703 1 12 . 1 1 118 118 THR CA C 118 61.800 61.800 61.594 0.206 18281 9704 1 12 . 1 1 118 118 THR CB C 118 70.720 70.720 70.583 0.137 18281 9705 1 12 . 1 1 118 118 THR H H 118 9.500 9.500 8.593 0.907 18281 9706 1 12 . 1 1 119 119 SER N N 119 122.250 122.250 121.339 0.911 18281 9707 1 12 . 1 1 119 119 SER HA H 119 5.270 5.270 5.269 0.001 18281 9708 1 12 . 1 1 119 119 SER C C 119 172.960 172.960 172.437 0.523 18281 9709 1 12 . 1 1 119 119 SER CA C 119 55.860 55.860 57.257 -1.397 18281 9710 1 12 . 1 1 119 119 SER CB C 119 66.720 66.720 66.353 0.367 18281 9711 1 12 . 1 1 119 119 SER H H 119 9.410 9.410 8.912 0.498 18281 9712 1 12 . 1 1 120 120 LYS N N 120 124.120 124.120 123.401 0.719 18281 9713 1 12 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.584 0.656 18281 9714 1 12 . 1 1 120 120 LYS C C 120 174.780 174.780 173.844 0.936 18281 9715 1 12 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.249 -0.419 18281 9716 1 12 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.509 -0.349 18281 9717 1 12 . 1 1 120 120 LYS H H 120 9.150 9.150 8.127 1.024 18281 9718 1 12 . 1 1 121 121 TYR N N 121 126.500 126.500 123.261 3.239 18281 9719 1 12 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.188 0.812 18281 9720 1 12 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.585 -0.385 18281 9721 1 12 . 1 1 121 121 TYR H H 121 9.800 9.800 8.821 0.979 18281 9722 1 12 . 1 1 122 122 HIS C C 122 174.670 174.670 174.869 -0.199 18281 9723 1 12 . 1 1 123 123 THR N N 123 125.750 125.750 113.467 12.283 18281 9724 1 12 . 1 1 123 123 THR HA H 123 5.400 5.400 4.689 0.711 18281 9725 1 12 . 1 1 123 123 THR C C 123 174.460 174.460 175.185 -0.725 18281 9726 1 12 . 1 1 123 123 THR CA C 123 60.230 60.230 59.968 0.262 18281 9727 1 12 . 1 1 123 123 THR CB C 123 71.260 71.260 71.658 -0.398 18281 9728 1 12 . 1 1 123 123 THR H H 123 8.920 8.920 8.461 0.459 18281 9729 1 12 . 1 1 124 124 LYS N N 124 121.170 121.170 122.099 -0.929 18281 9730 1 12 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.259 0.501 18281 9731 1 12 . 1 1 124 124 LYS C C 124 176.450 176.450 177.003 -0.553 18281 9732 1 12 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.204 -2.694 18281 9733 1 12 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.582 1.318 18281 9734 1 12 . 1 1 124 124 LYS H H 124 8.590 8.590 8.394 0.196 18281 9735 1 12 . 1 1 125 125 GLY N N 125 110.070 110.070 106.222 3.848 18281 9736 1 12 . 1 1 125 125 GLY C C 125 173.620 173.620 174.039 -0.419 18281 9737 1 12 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.397 -0.127 18281 9738 1 12 . 1 1 125 125 GLY H H 125 8.390 8.390 8.037 0.353 18281 9739 1 12 . 1 1 126 126 ASP N N 126 120.070 120.070 121.359 -1.289 18281 9740 1 12 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.769 -0.099 18281 9741 1 12 . 1 1 126 126 ASP C C 126 175.580 175.580 176.333 -0.753 18281 9742 1 12 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.834 0.456 18281 9743 1 12 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.995 -0.635 18281 9744 1 12 . 1 1 126 126 ASP H H 126 8.440 8.440 8.514 -0.074 18281 9745 1 12 . 1 1 127 127 VAL N N 127 119.620 119.620 117.697 1.923 18281 9746 1 12 . 1 1 127 127 VAL HA H 127 4.240 4.240 4.048 0.192 18281 9747 1 12 . 1 1 127 127 VAL C C 127 174.610 174.610 175.675 -1.065 18281 9748 1 12 . 1 1 127 127 VAL CA C 127 61.230 61.230 62.083 -0.853 18281 9749 1 12 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.310 1.940 18281 9750 1 12 . 1 1 127 127 VAL H H 127 7.620 7.620 7.483 0.137 18281 9751 1 12 . 1 1 128 128 GLU N N 128 125.030 125.030 124.961 0.069 18281 9752 1 12 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.595 -0.465 18281 9753 1 12 . 1 1 128 128 GLU C C 128 175.680 175.680 175.465 0.215 18281 9754 1 12 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.258 0.282 18281 9755 1 12 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.852 -1.062 18281 9756 1 12 . 1 1 128 128 GLU H H 128 8.330 8.330 8.305 0.025 18281 9757 1 12 . 1 1 129 129 ILE N N 129 124.070 124.070 120.562 3.508 18281 9758 1 12 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.494 -0.534 18281 9759 1 12 . 1 1 129 129 ILE C C 129 175.960 175.960 174.530 1.430 18281 9760 1 12 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.572 -0.222 18281 9761 1 12 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.499 -3.819 18281 9762 1 12 . 1 1 129 129 ILE H H 129 7.380 7.380 8.311 -0.931 18281 9763 1 12 . 1 1 130 130 LYS N N 130 127.800 127.800 123.243 4.557 18281 9764 1 12 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.330 -0.050 18281 9765 1 12 . 1 1 130 130 LYS C C 130 177.660 177.660 177.193 0.467 18281 9766 1 12 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.768 0.082 18281 9767 1 12 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.633 0.177 18281 9768 1 12 . 1 1 130 130 LYS H H 130 8.790 8.790 8.622 0.168 18281 9769 1 12 . 1 1 131 131 GLU N N 131 125.060 125.060 127.381 -2.321 18281 9770 1 12 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.778 0.032 18281 9771 1 12 . 1 1 131 131 GLU C C 131 178.630 178.630 178.298 0.332 18281 9772 1 12 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.181 -0.671 18281 9773 1 12 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.341 -0.041 18281 9774 1 12 . 1 1 131 131 GLU H H 131 8.880 8.880 9.072 -0.192 18281 9775 1 12 . 1 1 132 132 GLU N N 132 117.220 117.220 117.822 -0.602 18281 9776 1 12 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.986 -0.006 18281 9777 1 12 . 1 1 132 132 GLU C C 132 178.630 178.630 179.111 -0.481 18281 9778 1 12 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.294 0.316 18281 9779 1 12 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.093 -0.113 18281 9780 1 12 . 1 1 132 132 GLU H H 132 9.200 9.200 8.867 0.333 18281 9781 1 12 . 1 1 133 133 HIS N N 133 119.810 119.810 119.067 0.743 18281 9782 1 12 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.267 0.203 18281 9783 1 12 . 1 1 133 133 HIS C C 133 178.430 178.430 177.930 0.500 18281 9784 1 12 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.330 0.800 18281 9785 1 12 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.898 1.421 18281 9786 1 12 . 1 1 133 133 HIS H H 133 7.500 7.500 7.649 -0.149 18281 9787 1 12 . 1 1 134 134 VAL N N 134 120.370 120.370 119.979 0.391 18281 9788 1 12 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.346 0.304 18281 9789 1 12 . 1 1 134 134 VAL C C 134 179.170 179.170 177.140 2.030 18281 9790 1 12 . 1 1 134 134 VAL CA C 134 65.180 65.180 67.228 -2.049 18281 9791 1 12 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.484 0.226 18281 9792 1 12 . 1 1 134 134 VAL H H 134 7.290 7.290 7.935 -0.645 18281 9793 1 12 . 1 1 135 135 LYS N N 135 121.310 121.310 119.667 1.643 18281 9794 1 12 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.838 0.122 18281 9795 1 12 . 1 1 135 135 LYS C C 135 178.310 178.310 178.502 -0.192 18281 9796 1 12 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.729 -0.399 18281 9797 1 12 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.412 -0.232 18281 9798 1 12 . 1 1 135 135 LYS H H 135 8.310 8.310 8.233 0.077 18281 9799 1 12 . 1 1 136 136 ALA N N 136 121.150 121.150 121.123 0.027 18281 9800 1 12 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.099 0.131 18281 9801 1 12 . 1 1 136 136 ALA C C 136 180.930 180.930 179.645 1.285 18281 9802 1 12 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.041 -0.021 18281 9803 1 12 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.287 -0.537 18281 9804 1 12 . 1 1 136 136 ALA H H 136 7.950 7.950 8.014 -0.064 18281 9805 1 12 . 1 1 137 137 GLY N N 137 105.640 105.640 106.574 -0.934 18281 9806 1 12 . 1 1 137 137 GLY C C 137 177.000 177.000 176.364 0.636 18281 9807 1 12 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.152 0.008 18281 9808 1 12 . 1 1 137 137 GLY H H 137 7.930 7.930 7.987 -0.057 18281 9809 1 12 . 1 1 138 138 LYS N N 138 124.210 124.210 121.950 2.260 18281 9810 1 12 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.098 0.132 18281 9811 1 12 . 1 1 138 138 LYS C C 138 178.860 178.860 178.773 0.087 18281 9812 1 12 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.140 -0.350 18281 9813 1 12 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.363 0.307 18281 9814 1 12 . 1 1 138 138 LYS H H 138 7.960 7.960 7.722 0.238 18281 9815 1 12 . 1 1 139 139 GLU N N 139 119.720 119.720 119.909 -0.189 18281 9816 1 12 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.063 0.077 18281 9817 1 12 . 1 1 139 139 GLU C C 139 179.710 179.710 178.778 0.932 18281 9818 1 12 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.584 -0.404 18281 9819 1 12 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.516 -0.216 18281 9820 1 12 . 1 1 139 139 GLU H H 139 8.370 8.370 7.955 0.415 18281 9821 1 12 . 1 1 140 140 LYS N N 140 120.270 120.270 119.106 1.164 18281 9822 1 12 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.972 0.138 18281 9823 1 12 . 1 1 140 140 LYS C C 140 179.210 179.210 179.150 0.060 18281 9824 1 12 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.798 -0.188 18281 9825 1 12 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.272 0.108 18281 9826 1 12 . 1 1 140 140 LYS H H 140 8.140 8.140 8.146 -0.006 18281 9827 1 12 . 1 1 141 141 ALA N N 141 121.910 121.910 121.284 0.626 18281 9828 1 12 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.174 -0.134 18281 9829 1 12 . 1 1 141 141 ALA C C 141 179.530 179.530 179.720 -0.190 18281 9830 1 12 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.056 -0.036 18281 9831 1 12 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.314 0.066 18281 9832 1 12 . 1 1 141 141 ALA H H 141 7.730 7.730 7.832 -0.102 18281 9833 1 12 . 1 1 142 142 ALA N N 142 120.440 120.440 121.154 -0.714 18281 9834 1 12 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.144 -0.264 18281 9835 1 12 . 1 1 142 142 ALA C C 142 180.080 180.080 179.416 0.664 18281 9836 1 12 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.128 -0.228 18281 9837 1 12 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.174 0.056 18281 9838 1 12 . 1 1 142 142 ALA H H 142 8.280 8.280 8.063 0.217 18281 9839 1 12 . 1 1 143 143 HIS N N 143 118.280 118.280 118.937 -0.657 18281 9840 1 12 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.252 0.098 18281 9841 1 12 . 1 1 143 143 HIS C C 143 177.350 177.350 177.547 -0.197 18281 9842 1 12 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.756 -0.326 18281 9843 1 12 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.823 0.927 18281 9844 1 12 . 1 1 143 143 HIS H H 143 8.030 8.030 8.389 -0.359 18281 9845 1 12 . 1 1 144 144 LEU N N 144 118.820 118.820 119.306 -0.486 18281 9846 1 12 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.714 0.196 18281 9847 1 12 . 1 1 144 144 LEU C C 144 179.040 179.040 178.916 0.124 18281 9848 1 12 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.914 0.166 18281 9849 1 12 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.375 -0.415 18281 9850 1 12 . 1 1 144 144 LEU H H 144 7.700 7.700 7.772 -0.072 18281 9851 1 12 . 1 1 145 145 PHE N N 145 116.920 116.920 117.593 -0.673 18281 9852 1 12 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.004 -0.004 18281 9853 1 12 . 1 1 145 145 PHE C C 145 177.900 177.900 177.787 0.113 18281 9854 1 12 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.091 0.059 18281 9855 1 12 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.880 -0.130 18281 9856 1 12 . 1 1 145 145 PHE H H 145 8.100 8.100 7.636 0.464 18281 9857 1 12 . 1 1 146 146 LYS N N 146 119.710 119.710 118.112 1.598 18281 9858 1 12 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.901 0.229 18281 9859 1 12 . 1 1 146 146 LYS C C 146 177.750 177.750 178.473 -0.723 18281 9860 1 12 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.729 -0.829 18281 9861 1 12 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.147 0.133 18281 9862 1 12 . 1 1 146 146 LYS H H 146 8.040 8.040 7.566 0.474 18281 9863 1 12 . 1 1 147 147 LEU N N 147 118.970 118.970 120.266 -1.296 18281 9864 1 12 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.967 0.033 18281 9865 1 12 . 1 1 147 147 LEU C C 147 180.460 180.460 179.111 1.349 18281 9866 1 12 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.502 -0.032 18281 9867 1 12 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.751 1.649 18281 9868 1 12 . 1 1 147 147 LEU H H 147 7.960 7.960 7.419 0.541 18281 9869 1 12 . 1 1 148 148 ILE N N 148 121.410 121.410 119.693 1.717 18281 9870 1 12 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.768 -0.228 18281 9871 1 12 . 1 1 148 148 ILE C C 148 177.030 177.030 178.695 -1.665 18281 9872 1 12 . 1 1 148 148 ILE CA C 148 65.400 65.400 64.535 0.865 18281 9873 1 12 . 1 1 148 148 ILE CB C 148 37.690 37.690 36.420 1.270 18281 9874 1 12 . 1 1 148 148 ILE H H 148 8.200 8.200 7.853 0.347 18281 9875 1 12 . 1 1 149 149 GLU N N 149 120.450 120.450 119.813 0.637 18281 9876 1 12 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.062 -0.382 18281 9877 1 12 . 1 1 149 149 GLU C C 149 178.540 178.540 179.667 -1.127 18281 9878 1 12 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.609 0.710 18281 9879 1 12 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.328 -0.498 18281 9880 1 12 . 1 1 149 149 GLU H H 149 8.680 8.680 7.994 0.686 18281 9881 1 12 . 1 1 150 150 GLY N N 150 104.450 104.450 108.353 -3.903 18281 9882 1 12 . 1 1 150 150 GLY C C 150 175.670 175.670 176.276 -0.606 18281 9883 1 12 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.070 0.180 18281 9884 1 12 . 1 1 150 150 GLY H H 150 8.180 8.180 7.842 0.338 18281 9885 1 12 . 1 1 151 151 TYR N N 151 122.120 122.120 122.326 -0.206 18281 9886 1 12 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.281 0.099 18281 9887 1 12 . 1 1 151 151 TYR C C 151 179.360 179.360 178.241 1.119 18281 9888 1 12 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.603 0.717 18281 9889 1 12 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.231 -1.841 18281 9890 1 12 . 1 1 151 151 TYR H H 151 7.910 7.910 8.106 -0.196 18281 9891 1 12 . 1 1 152 152 LEU N N 152 120.020 120.020 118.762 1.258 18281 9892 1 12 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.972 0.058 18281 9893 1 12 . 1 1 152 152 LEU C C 152 180.320 180.320 178.524 1.796 18281 9894 1 12 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.657 0.103 18281 9895 1 12 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.733 -0.733 18281 9896 1 12 . 1 1 152 152 LEU H H 152 8.630 8.630 8.194 0.436 18281 9897 1 12 . 1 1 153 153 LYS N N 153 119.730 119.730 117.754 1.976 18281 9898 1 12 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.514 -0.544 18281 9899 1 12 . 1 1 153 153 LYS C C 153 178.150 178.150 177.780 0.370 18281 9900 1 12 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.852 0.548 18281 9901 1 12 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.627 -0.278 18281 9902 1 12 . 1 1 153 153 LYS H H 153 8.260 8.260 8.058 0.202 18281 9903 1 12 . 1 1 154 154 ASP N N 154 117.020 117.020 117.771 -0.751 18281 9904 1 12 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.562 -0.562 18281 9905 1 12 . 1 1 154 154 ASP C C 154 175.660 175.660 177.165 -1.505 18281 9906 1 12 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.650 -0.620 18281 9907 1 12 . 1 1 154 154 ASP H H 154 7.560 7.560 7.609 -0.049 18281 9908 1 12 . 1 1 155 155 HIS N N 155 117.160 117.160 119.621 -2.461 18281 9909 1 12 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.620 0.280 18281 9910 1 12 . 1 1 155 155 HIS CA C 155 54.150 54.150 54.545 -0.395 18281 9911 1 12 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.998 -3.008 18281 9912 1 12 . 1 1 155 155 HIS H H 155 7.430 7.430 7.825 -0.395 18281 9913 1 13 . 1 1 3 3 VAL N N 3 119.910 119.910 121.605 -1.695 18281 9914 1 13 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.390 0.530 18281 9915 1 13 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.437 -0.417 18281 9916 1 13 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.599 0.531 18281 9917 1 13 . 1 1 3 3 VAL H H 3 7.630 7.630 8.011 -0.381 18281 9918 1 13 . 1 1 4 4 TYR N N 4 119.930 119.930 123.757 -3.827 18281 9919 1 13 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.661 0.009 18281 9920 1 13 . 1 1 4 4 TYR C C 4 174.670 174.670 174.940 -0.270 18281 9921 1 13 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.450 1.020 18281 9922 1 13 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.574 0.696 18281 9923 1 13 . 1 1 4 4 TYR H H 4 8.660 8.660 8.369 0.291 18281 9924 1 13 . 1 1 5 5 THR N N 5 119.930 119.930 116.811 3.119 18281 9925 1 13 . 1 1 5 5 THR HA H 5 5.290 5.290 4.432 0.858 18281 9926 1 13 . 1 1 5 5 THR C C 5 173.180 173.180 173.390 -0.210 18281 9927 1 13 . 1 1 5 5 THR CA C 5 61.780 61.780 62.090 -0.310 18281 9928 1 13 . 1 1 5 5 THR CB C 5 70.360 70.360 69.852 0.508 18281 9929 1 13 . 1 1 5 5 THR H H 5 8.230 8.230 8.212 0.018 18281 9930 1 13 . 1 1 6 6 TYR N N 6 125.060 125.060 124.620 0.440 18281 9931 1 13 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.748 0.542 18281 9932 1 13 . 1 1 6 6 TYR C C 6 174.380 174.380 174.185 0.195 18281 9933 1 13 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.966 0.144 18281 9934 1 13 . 1 1 6 6 TYR CB C 6 41.850 41.850 40.704 1.146 18281 9935 1 13 . 1 1 6 6 TYR H H 6 9.210 9.210 8.490 0.720 18281 9936 1 13 . 1 1 7 7 GLU N N 7 122.360 122.360 124.490 -2.130 18281 9937 1 13 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.906 0.454 18281 9938 1 13 . 1 1 7 7 GLU C C 7 175.390 175.390 175.222 0.168 18281 9939 1 13 . 1 1 7 7 GLU CA C 7 54.980 54.980 55.017 -0.037 18281 9940 1 13 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.449 0.601 18281 9941 1 13 . 1 1 7 7 GLU H H 7 8.830 8.830 8.783 0.047 18281 9942 1 13 . 1 1 8 8 ASN N N 8 119.960 119.960 124.444 -4.484 18281 9943 1 13 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.058 0.042 18281 9944 1 13 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.932 -0.312 18281 9945 1 13 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.575 1.635 18281 9946 1 13 . 1 1 8 8 ASN H H 8 8.800 8.800 8.842 -0.042 18281 9947 1 13 . 1 1 9 9 GLU N N 9 121.420 121.420 125.435 -4.015 18281 9948 1 13 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.877 0.723 18281 9949 1 13 . 1 1 9 9 GLU C C 9 174.590 174.590 175.079 -0.489 18281 9950 1 13 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.512 -0.742 18281 9951 1 13 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.180 2.570 18281 9952 1 13 . 1 1 9 9 GLU H H 9 8.330 8.330 8.740 -0.410 18281 9953 1 13 . 1 1 10 10 PHE N N 10 121.240 121.240 125.378 -4.138 18281 9954 1 13 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.901 0.119 18281 9955 1 13 . 1 1 10 10 PHE C C 10 173.880 173.880 173.651 0.229 18281 9956 1 13 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.114 -1.564 18281 9957 1 13 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.092 -1.622 18281 9958 1 13 . 1 1 10 10 PHE H H 10 8.760 8.760 9.006 -0.246 18281 9959 1 13 . 1 1 11 11 THR N N 11 113.110 113.110 119.067 -5.957 18281 9960 1 13 . 1 1 11 11 THR HA H 11 5.170 5.170 4.957 0.213 18281 9961 1 13 . 1 1 11 11 THR C C 11 173.530 173.530 173.555 -0.025 18281 9962 1 13 . 1 1 11 11 THR CA C 11 60.940 60.940 60.335 0.605 18281 9963 1 13 . 1 1 11 11 THR CB C 11 71.260 71.260 69.719 1.541 18281 9964 1 13 . 1 1 11 11 THR H H 11 8.470 8.470 7.682 0.788 18281 9965 1 13 . 1 1 12 12 SER N N 12 115.490 115.490 121.496 -6.006 18281 9966 1 13 . 1 1 12 12 SER C C 12 173.530 173.530 172.827 0.703 18281 9967 1 13 . 1 1 12 12 SER CA C 12 56.460 56.460 56.646 -0.186 18281 9968 1 13 . 1 1 12 12 SER CB C 12 66.320 66.320 65.931 0.389 18281 9969 1 13 . 1 1 12 12 SER H H 12 8.870 8.870 9.192 -0.322 18281 9970 1 13 . 1 1 13 13 ASP N N 13 126.650 126.650 119.864 6.786 18281 9971 1 13 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.583 0.157 18281 9972 1 13 . 1 1 13 13 ASP C C 13 174.520 174.520 176.341 -1.821 18281 9973 1 13 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.840 1.190 18281 9974 1 13 . 1 1 13 13 ASP CB C 13 41.000 41.000 40.997 0.003 18281 9975 1 13 . 1 1 13 13 ASP H H 13 9.060 9.060 8.494 0.566 18281 9976 1 13 . 1 1 14 14 ILE N N 14 123.580 123.580 114.564 9.016 18281 9977 1 13 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.905 0.445 18281 9978 1 13 . 1 1 14 14 ILE CA C 14 57.390 57.390 60.740 -3.350 18281 9979 1 13 . 1 1 14 14 ILE CB C 14 37.340 37.340 36.417 0.923 18281 9980 1 13 . 1 1 14 14 ILE H H 14 8.470 8.470 8.337 0.133 18281 9981 1 13 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.580 -0.140 18281 9982 1 13 . 1 1 15 15 PRO C C 15 177.130 177.130 177.803 -0.673 18281 9983 1 13 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.340 0.730 18281 9984 1 13 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.812 0.638 18281 9985 1 13 . 1 1 16 16 ALA N N 16 126.780 126.780 125.770 1.010 18281 9986 1 13 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.999 0.001 18281 9987 1 13 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.048 0.052 18281 9988 1 13 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.084 0.216 18281 9989 1 13 . 1 1 16 16 ALA H H 16 8.570 8.570 8.605 -0.035 18281 9990 1 13 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.368 -0.468 18281 9991 1 13 . 1 1 17 17 PRO C C 17 179.610 179.610 179.244 0.366 18281 9992 1 13 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.298 0.712 18281 9993 1 13 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.269 -0.369 18281 9994 1 13 . 1 1 18 18 LYS N N 18 116.630 116.630 119.090 -2.460 18281 9995 1 13 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.199 -0.059 18281 9996 1 13 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.527 -0.257 18281 9997 1 13 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.928 0.392 18281 9998 1 13 . 1 1 18 18 LYS H H 18 6.710 6.710 8.104 -1.394 18281 9999 1 13 . 1 1 19 19 LEU N N 19 118.930 118.930 120.268 -1.338 18281 10000 1 13 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.210 -0.370 18281 10001 1 13 . 1 1 19 19 LEU C C 19 178.380 178.380 178.289 0.091 18281 10002 1 13 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.379 0.051 18281 10003 1 13 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.317 -0.227 18281 10004 1 13 . 1 1 19 19 LEU H H 19 7.950 7.950 8.475 -0.525 18281 10005 1 13 . 1 1 20 20 PHE N N 20 118.660 118.660 120.446 -1.786 18281 10006 1 13 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.289 -0.439 18281 10007 1 13 . 1 1 20 20 PHE C C 20 177.680 177.680 177.075 0.605 18281 10008 1 13 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.721 1.159 18281 10009 1 13 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.387 0.033 18281 10010 1 13 . 1 1 20 20 PHE H H 20 9.040 9.040 8.444 0.596 18281 10011 1 13 . 1 1 21 21 LYS N N 21 118.430 118.430 118.836 -0.406 18281 10012 1 13 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.997 -0.227 18281 10013 1 13 . 1 1 21 21 LYS C C 21 176.400 176.400 178.662 -2.262 18281 10014 1 13 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.804 0.356 18281 10015 1 13 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.423 0.577 18281 10016 1 13 . 1 1 21 21 LYS H H 21 7.630 7.630 8.471 -0.841 18281 10017 1 13 . 1 1 22 22 ALA N N 22 118.710 118.710 120.658 -1.948 18281 10018 1 13 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.432 0.338 18281 10019 1 13 . 1 1 22 22 ALA C C 22 175.450 175.450 178.617 -3.167 18281 10020 1 13 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.174 1.366 18281 10021 1 13 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.729 1.471 18281 10022 1 13 . 1 1 22 22 ALA H H 22 7.390 7.390 7.486 -0.096 18281 10023 1 13 . 1 1 23 23 PHE N N 23 109.720 109.720 116.847 -7.127 18281 10024 1 13 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.168 0.072 18281 10025 1 13 . 1 1 23 23 PHE C C 23 174.130 174.130 174.829 -0.699 18281 10026 1 13 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.002 -1.682 18281 10027 1 13 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.816 0.624 18281 10028 1 13 . 1 1 23 23 PHE H H 23 8.400 8.400 7.793 0.607 18281 10029 1 13 . 1 1 24 24 VAL N N 24 113.250 113.250 115.474 -2.224 18281 10030 1 13 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.490 -0.170 18281 10031 1 13 . 1 1 24 24 VAL C C 24 177.660 177.660 177.428 0.232 18281 10032 1 13 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.016 0.484 18281 10033 1 13 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.360 -1.480 18281 10034 1 13 . 1 1 24 24 VAL H H 24 7.220 7.220 7.263 -0.043 18281 10035 1 13 . 1 1 25 25 LEU N N 25 116.250 116.250 121.236 -4.986 18281 10036 1 13 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.095 -0.205 18281 10037 1 13 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.288 0.622 18281 10038 1 13 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.141 -1.141 18281 10039 1 13 . 1 1 25 25 LEU H H 25 7.180 7.180 7.640 -0.460 18281 10040 1 13 . 1 1 26 26 ASP N N 26 117.160 117.160 117.250 -0.090 18281 10041 1 13 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.679 0.621 18281 10042 1 13 . 1 1 26 26 ASP C C 26 177.300 177.300 176.074 1.226 18281 10043 1 13 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.127 -0.957 18281 10044 1 13 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.292 2.628 18281 10045 1 13 . 1 1 26 26 ASP H H 26 8.070 8.070 7.693 0.377 18281 10046 1 13 . 1 1 27 27 ALA N N 27 123.040 123.040 122.742 0.298 18281 10047 1 13 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.691 0.069 18281 10048 1 13 . 1 1 27 27 ALA C C 27 178.900 178.900 178.507 0.393 18281 10049 1 13 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.837 1.203 18281 10050 1 13 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.489 0.941 18281 10051 1 13 . 1 1 27 27 ALA H H 27 6.360 6.360 6.966 -0.606 18281 10052 1 13 . 1 1 28 28 ASP N N 28 115.060 115.060 117.078 -2.018 18281 10053 1 13 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.282 -0.302 18281 10054 1 13 . 1 1 28 28 ASP C C 28 175.850 175.850 176.215 -0.365 18281 10055 1 13 . 1 1 28 28 ASP CA C 28 55.540 55.540 55.900 -0.360 18281 10056 1 13 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.816 -1.176 18281 10057 1 13 . 1 1 28 28 ASP H H 28 8.290 8.290 8.450 -0.160 18281 10058 1 13 . 1 1 29 29 ASN N N 29 113.110 113.110 115.168 -2.058 18281 10059 1 13 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.618 0.112 18281 10060 1 13 . 1 1 29 29 ASN C C 29 176.430 176.430 176.676 -0.246 18281 10061 1 13 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.228 -0.618 18281 10062 1 13 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.021 1.239 18281 10063 1 13 . 1 1 29 29 ASN H H 29 7.360 7.360 7.817 -0.457 18281 10064 1 13 . 1 1 30 30 LEU N N 30 120.630 120.630 122.410 -1.780 18281 10065 1 13 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.799 0.221 18281 10066 1 13 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.245 0.555 18281 10067 1 13 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.462 1.318 18281 10068 1 13 . 1 1 30 30 LEU H H 30 8.320 8.320 8.397 -0.077 18281 10069 1 13 . 1 1 31 31 ILE N N 31 116.170 116.170 119.794 -3.624 18281 10070 1 13 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.676 -0.026 18281 10071 1 13 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.653 -0.853 18281 10072 1 13 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.322 -1.412 18281 10073 1 13 . 1 1 31 31 ILE H H 31 8.140 8.140 7.362 0.778 18281 10074 1 13 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.264 0.256 18281 10075 1 13 . 1 1 32 32 PRO C C 32 177.680 177.680 177.150 0.530 18281 10076 1 13 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.641 0.879 18281 10077 1 13 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.090 0.430 18281 10078 1 13 . 1 1 33 33 LYS N N 33 112.410 112.410 117.498 -5.088 18281 10079 1 13 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.195 -0.045 18281 10080 1 13 . 1 1 33 33 LYS C C 33 178.220 178.220 177.935 0.285 18281 10081 1 13 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.087 0.202 18281 10082 1 13 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.920 -0.011 18281 10083 1 13 . 1 1 33 33 LYS H H 33 6.880 6.880 7.103 -0.223 18281 10084 1 13 . 1 1 34 34 ILE N N 34 112.260 112.260 117.986 -5.726 18281 10085 1 13 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.990 0.330 18281 10086 1 13 . 1 1 34 34 ILE C C 34 175.920 175.920 176.232 -0.312 18281 10087 1 13 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.314 -1.494 18281 10088 1 13 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.883 0.466 18281 10089 1 13 . 1 1 34 34 ILE H H 34 7.560 7.560 7.680 -0.120 18281 10090 1 13 . 1 1 35 35 ALA N N 35 124.420 124.420 120.513 3.907 18281 10091 1 13 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.781 0.189 18281 10092 1 13 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.242 0.118 18281 10093 1 13 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.827 0.433 18281 10094 1 13 . 1 1 35 35 ALA H H 35 8.820 8.820 7.497 1.323 18281 10095 1 13 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.327 0.403 18281 10096 1 13 . 1 1 36 36 PRO C C 36 177.890 177.890 177.437 0.453 18281 10097 1 13 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.484 -0.244 18281 10098 1 13 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.319 -0.639 18281 10099 1 13 . 1 1 37 37 GLN N N 37 115.580 115.580 115.824 -0.244 18281 10100 1 13 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.132 0.118 18281 10101 1 13 . 1 1 37 37 GLN C C 37 177.740 177.740 177.598 0.142 18281 10102 1 13 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.384 -0.074 18281 10103 1 13 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.468 -0.948 18281 10104 1 13 . 1 1 37 37 GLN H H 37 8.660 8.660 8.306 0.354 18281 10105 1 13 . 1 1 38 38 ALA N N 38 123.250 123.250 120.348 2.902 18281 10106 1 13 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.434 -0.044 18281 10107 1 13 . 1 1 38 38 ALA C C 38 177.850 177.850 177.555 0.295 18281 10108 1 13 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.586 -0.086 18281 10109 1 13 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.328 0.502 18281 10110 1 13 . 1 1 38 38 ALA H H 38 8.030 8.030 7.373 0.657 18281 10111 1 13 . 1 1 39 39 VAL N N 39 117.330 117.330 115.304 2.026 18281 10112 1 13 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.220 -0.090 18281 10113 1 13 . 1 1 39 39 VAL C C 39 172.750 172.750 175.081 -2.331 18281 10114 1 13 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.851 1.599 18281 10115 1 13 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.104 -1.474 18281 10116 1 13 . 1 1 39 39 VAL H H 39 7.660 7.660 7.301 0.359 18281 10117 1 13 . 1 1 40 40 LYS N N 40 125.270 125.270 126.424 -1.154 18281 10118 1 13 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.192 0.268 18281 10119 1 13 . 1 1 40 40 LYS C C 40 177.240 177.240 176.492 0.748 18281 10120 1 13 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.365 -0.915 18281 10121 1 13 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.485 0.515 18281 10122 1 13 . 1 1 40 40 LYS H H 40 8.910 8.910 8.952 -0.042 18281 10123 1 13 . 1 1 41 41 CYS N N 41 112.210 112.210 114.972 -2.762 18281 10124 1 13 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.379 0.181 18281 10125 1 13 . 1 1 41 41 CYS C C 41 170.900 170.900 172.190 -1.290 18281 10126 1 13 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.978 -1.958 18281 10127 1 13 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.058 -0.258 18281 10128 1 13 . 1 1 41 41 CYS H H 41 7.680 7.680 7.524 0.156 18281 10129 1 13 . 1 1 42 42 ALA N N 42 125.620 125.620 129.223 -3.603 18281 10130 1 13 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.973 0.247 18281 10131 1 13 . 1 1 42 42 ALA C C 42 175.690 175.690 176.208 -0.518 18281 10132 1 13 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.078 -0.098 18281 10133 1 13 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.767 2.233 18281 10134 1 13 . 1 1 42 42 ALA H H 42 8.700 8.700 8.421 0.279 18281 10135 1 13 . 1 1 43 43 GLU N N 43 120.730 120.730 123.549 -2.819 18281 10136 1 13 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.734 -0.075 18281 10137 1 13 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.753 -0.383 18281 10138 1 13 . 1 1 43 43 GLU CB C 43 34.120 34.120 34.160 -0.040 18281 10139 1 13 . 1 1 43 43 GLU H H 43 8.810 8.810 8.445 0.365 18281 10140 1 13 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.571 -0.531 18281 10141 1 13 . 1 1 44 44 ILE C C 44 176.190 176.190 176.123 0.067 18281 10142 1 13 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.653 1.337 18281 10143 1 13 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.557 -0.777 18281 10144 1 13 . 1 1 45 45 LEU N N 45 129.030 129.030 129.551 -0.521 18281 10145 1 13 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.221 0.229 18281 10146 1 13 . 1 1 45 45 LEU C C 45 177.270 177.270 176.697 0.573 18281 10147 1 13 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.741 -0.731 18281 10148 1 13 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.988 -0.508 18281 10149 1 13 . 1 1 45 45 LEU H H 45 9.090 9.090 8.760 0.330 18281 10150 1 13 . 1 1 46 46 GLU N N 46 116.640 116.640 113.584 3.056 18281 10151 1 13 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.447 0.163 18281 10152 1 13 . 1 1 46 46 GLU C C 46 174.840 174.840 175.468 -0.628 18281 10153 1 13 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.419 0.191 18281 10154 1 13 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.819 0.751 18281 10155 1 13 . 1 1 46 46 GLU H H 46 7.700 7.700 7.494 0.206 18281 10156 1 13 . 1 1 47 47 GLY N N 47 110.230 110.230 110.237 -0.007 18281 10157 1 13 . 1 1 47 47 GLY C C 47 173.630 173.630 173.864 -0.234 18281 10158 1 13 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.736 -1.056 18281 10159 1 13 . 1 1 47 47 GLY H H 47 8.620 8.620 8.775 -0.155 18281 10160 1 13 . 1 1 48 48 ASP N N 48 115.220 115.220 120.569 -5.349 18281 10161 1 13 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.328 0.442 18281 10162 1 13 . 1 1 48 48 ASP C C 48 177.340 177.340 175.753 1.587 18281 10163 1 13 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.808 -1.888 18281 10164 1 13 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.414 2.266 18281 10165 1 13 . 1 1 48 48 ASP H H 48 7.960 7.960 8.441 -0.481 18281 10166 1 13 . 1 1 49 49 GLY N N 49 110.900 110.900 101.907 8.993 18281 10167 1 13 . 1 1 49 49 GLY C C 49 174.750 174.750 174.185 0.565 18281 10168 1 13 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.158 0.152 18281 10169 1 13 . 1 1 49 49 GLY H H 49 8.750 8.750 8.411 0.339 18281 10170 1 13 . 1 1 50 50 GLY N N 50 107.020 107.020 108.723 -1.703 18281 10171 1 13 . 1 1 50 50 GLY CA C 50 43.600 43.600 43.139 0.460 18281 10172 1 13 . 1 1 50 50 GLY H H 50 8.300 8.300 8.235 0.065 18281 10173 1 13 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.237 -0.277 18281 10174 1 13 . 1 1 51 51 PRO C C 51 176.780 176.780 176.821 -0.041 18281 10175 1 13 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.237 1.762 18281 10176 1 13 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.989 -0.119 18281 10177 1 13 . 1 1 52 52 GLY N N 52 114.320 114.320 114.457 -0.137 18281 10178 1 13 . 1 1 52 52 GLY C C 52 174.170 174.170 174.174 -0.004 18281 10179 1 13 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.647 -0.967 18281 10180 1 13 . 1 1 52 52 GLY H H 52 9.240 9.240 8.898 0.342 18281 10181 1 13 . 1 1 53 53 THR N N 53 118.900 118.900 116.132 2.768 18281 10182 1 13 . 1 1 53 53 THR HA H 53 4.660 4.660 4.591 0.069 18281 10183 1 13 . 1 1 53 53 THR C C 53 173.510 173.510 174.149 -0.639 18281 10184 1 13 . 1 1 53 53 THR CA C 53 64.580 64.580 63.593 0.987 18281 10185 1 13 . 1 1 53 53 THR CB C 53 70.070 70.070 70.187 -0.117 18281 10186 1 13 . 1 1 53 53 THR H H 53 7.910 7.910 7.367 0.543 18281 10187 1 13 . 1 1 54 54 ILE N N 54 124.830 124.830 125.950 -1.120 18281 10188 1 13 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.614 0.696 18281 10189 1 13 . 1 1 54 54 ILE C C 54 175.260 175.260 175.009 0.251 18281 10190 1 13 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.801 1.069 18281 10191 1 13 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.314 1.136 18281 10192 1 13 . 1 1 54 54 ILE H H 54 8.550 8.550 8.421 0.129 18281 10193 1 13 . 1 1 55 55 LYS N N 55 126.970 126.970 125.667 1.303 18281 10194 1 13 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.141 0.159 18281 10195 1 13 . 1 1 55 55 LYS C C 55 173.950 173.950 175.630 -1.680 18281 10196 1 13 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.507 -0.677 18281 10197 1 13 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.089 0.641 18281 10198 1 13 . 1 1 55 55 LYS H H 55 9.400 9.400 9.134 0.266 18281 10199 1 13 . 1 1 56 56 LYS N N 56 124.220 124.220 124.536 -0.316 18281 10200 1 13 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.882 0.398 18281 10201 1 13 . 1 1 56 56 LYS C C 56 175.230 175.230 174.340 0.890 18281 10202 1 13 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.619 -0.829 18281 10203 1 13 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.355 -0.295 18281 10204 1 13 . 1 1 56 56 LYS H H 56 9.360 9.360 9.083 0.277 18281 10205 1 13 . 1 1 57 57 ILE N N 57 132.380 132.380 127.906 4.474 18281 10206 1 13 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.623 0.017 18281 10207 1 13 . 1 1 57 57 ILE C C 57 174.840 174.840 174.696 0.144 18281 10208 1 13 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.892 0.588 18281 10209 1 13 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.341 -2.071 18281 10210 1 13 . 1 1 57 57 ILE H H 57 9.240 9.240 9.273 -0.033 18281 10211 1 13 . 1 1 58 58 THR N N 58 122.310 122.310 122.467 -0.157 18281 10212 1 13 . 1 1 58 58 THR HA H 58 5.180 5.180 4.766 0.414 18281 10213 1 13 . 1 1 58 58 THR C C 58 174.260 174.260 173.585 0.675 18281 10214 1 13 . 1 1 58 58 THR CA C 58 61.720 61.720 61.373 0.346 18281 10215 1 13 . 1 1 58 58 THR CB C 58 70.640 70.640 70.054 0.586 18281 10216 1 13 . 1 1 58 58 THR H H 58 8.720 8.720 8.121 0.599 18281 10217 1 13 . 1 1 59 59 PHE N N 59 124.570 124.570 126.249 -1.679 18281 10218 1 13 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.699 0.321 18281 10219 1 13 . 1 1 59 59 PHE C C 59 174.510 174.510 175.894 -1.384 18281 10220 1 13 . 1 1 59 59 PHE CA C 59 56.450 56.450 58.035 -1.585 18281 10221 1 13 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.230 0.779 18281 10222 1 13 . 1 1 59 59 PHE H H 59 8.570 8.570 8.374 0.196 18281 10223 1 13 . 1 1 60 60 GLY N N 60 104.600 104.600 112.298 -7.698 18281 10224 1 13 . 1 1 60 60 GLY C C 60 173.500 173.500 174.181 -0.681 18281 10225 1 13 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.937 -0.107 18281 10226 1 13 . 1 1 60 60 GLY H H 60 7.800 7.800 8.542 -0.742 18281 10227 1 13 . 1 1 61 61 GLU N N 61 119.400 119.400 122.568 -3.168 18281 10228 1 13 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.108 0.002 18281 10229 1 13 . 1 1 61 61 GLU CA C 61 56.800 56.800 58.319 -1.520 18281 10230 1 13 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.594 1.346 18281 10231 1 13 . 1 1 61 61 GLU H H 61 8.290 8.290 8.761 -0.471 18281 10232 1 13 . 1 1 62 62 GLY N N 62 110.940 110.940 105.700 5.240 18281 10233 1 13 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.761 1.440 18281 10234 1 13 . 1 1 62 62 GLY H H 62 8.870 8.870 7.889 0.981 18281 10235 1 13 . 1 1 66 66 GLY C C 66 176.930 176.930 173.115 3.815 18281 10236 1 13 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.441 -0.361 18281 10237 1 13 . 1 1 67 67 TYR N N 67 115.490 115.490 119.830 -4.340 18281 10238 1 13 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.571 0.009 18281 10239 1 13 . 1 1 67 67 TYR C C 67 175.470 175.470 173.787 1.683 18281 10240 1 13 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.078 -0.159 18281 10241 1 13 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.657 0.063 18281 10242 1 13 . 1 1 67 67 TYR H H 67 8.110 8.110 7.819 0.291 18281 10243 1 13 . 1 1 68 68 VAL N N 68 111.980 111.980 121.754 -9.774 18281 10244 1 13 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.593 0.427 18281 10245 1 13 . 1 1 68 68 VAL C C 68 175.480 175.480 174.846 0.634 18281 10246 1 13 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.223 -1.723 18281 10247 1 13 . 1 1 68 68 VAL CB C 68 36.460 36.460 36.143 0.317 18281 10248 1 13 . 1 1 68 68 VAL H H 68 8.840 8.840 8.773 0.067 18281 10249 1 13 . 1 1 69 69 LYS N N 69 118.430 118.430 122.788 -4.358 18281 10250 1 13 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.064 0.636 18281 10251 1 13 . 1 1 69 69 LYS C C 69 175.740 175.740 174.926 0.814 18281 10252 1 13 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.484 0.886 18281 10253 1 13 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.966 0.614 18281 10254 1 13 . 1 1 69 69 LYS H H 69 8.590 8.590 9.052 -0.462 18281 10255 1 13 . 1 1 70 70 HIS N N 70 122.590 122.590 121.210 1.380 18281 10256 1 13 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.398 0.792 18281 10257 1 13 . 1 1 70 70 HIS C C 70 174.590 174.590 173.701 0.889 18281 10258 1 13 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.367 -3.527 18281 10259 1 13 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.369 2.641 18281 10260 1 13 . 1 1 70 70 HIS H H 70 9.160 9.160 8.572 0.588 18281 10261 1 13 . 1 1 71 71 LYS N N 71 122.760 122.760 123.501 -0.741 18281 10262 1 13 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.524 -0.034 18281 10263 1 13 . 1 1 71 71 LYS C C 71 175.500 175.500 174.876 0.624 18281 10264 1 13 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.755 0.285 18281 10265 1 13 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.378 -0.508 18281 10266 1 13 . 1 1 71 71 LYS H H 71 9.460 9.460 9.386 0.074 18281 10267 1 13 . 1 1 72 72 ILE N N 72 127.870 127.870 125.990 1.880 18281 10268 1 13 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.269 -0.389 18281 10269 1 13 . 1 1 72 72 ILE C C 72 175.430 175.430 175.566 -0.136 18281 10270 1 13 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.546 1.854 18281 10271 1 13 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.494 -1.454 18281 10272 1 13 . 1 1 72 72 ILE H H 72 9.320 9.320 8.700 0.620 18281 10273 1 13 . 1 1 73 73 HIS N N 73 127.690 127.690 125.690 2.000 18281 10274 1 13 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.726 0.394 18281 10275 1 13 . 1 1 73 73 HIS C C 73 176.240 176.240 174.996 1.244 18281 10276 1 13 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.767 -0.797 18281 10277 1 13 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.951 -0.011 18281 10278 1 13 . 1 1 73 73 HIS H H 73 9.080 9.080 8.530 0.550 18281 10279 1 13 . 1 1 74 74 SER N N 74 110.900 110.900 113.037 -2.137 18281 10280 1 13 . 1 1 74 74 SER HA H 74 4.760 4.760 4.633 0.127 18281 10281 1 13 . 1 1 74 74 SER C C 74 172.620 172.620 172.203 0.417 18281 10282 1 13 . 1 1 74 74 SER CA C 74 57.880 57.880 58.390 -0.510 18281 10283 1 13 . 1 1 74 74 SER CB C 74 66.790 66.790 64.318 2.472 18281 10284 1 13 . 1 1 74 74 SER H H 74 8.180 8.180 7.666 0.514 18281 10285 1 13 . 1 1 75 75 ILE N N 75 123.780 123.780 119.707 4.073 18281 10286 1 13 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.864 -0.184 18281 10287 1 13 . 1 1 75 75 ILE C C 75 174.010 174.010 174.282 -0.272 18281 10288 1 13 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.596 2.544 18281 10289 1 13 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.879 -0.569 18281 10290 1 13 . 1 1 75 75 ILE H H 75 8.730 8.730 8.236 0.494 18281 10291 1 13 . 1 1 76 76 ASP N N 76 127.280 127.280 126.610 0.670 18281 10292 1 13 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.075 0.005 18281 10293 1 13 . 1 1 76 76 ASP C C 76 176.680 176.680 176.062 0.618 18281 10294 1 13 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.081 -0.951 18281 10295 1 13 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.517 0.034 18281 10296 1 13 . 1 1 76 76 ASP H H 76 9.110 9.110 9.096 0.014 18281 10297 1 13 . 1 1 77 77 LYS N N 77 122.400 122.400 123.164 -0.764 18281 10298 1 13 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.831 0.149 18281 10299 1 13 . 1 1 77 77 LYS C C 77 175.980 175.980 177.914 -1.934 18281 10300 1 13 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.769 -2.349 18281 10301 1 13 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.559 0.222 18281 10302 1 13 . 1 1 77 77 LYS H H 77 8.890 8.890 8.728 0.162 18281 10303 1 13 . 1 1 78 78 VAL N N 78 119.300 119.300 118.100 1.200 18281 10304 1 13 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.550 0.110 18281 10305 1 13 . 1 1 78 78 VAL C C 78 176.290 176.290 176.270 0.020 18281 10306 1 13 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.806 -0.386 18281 10307 1 13 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.652 0.448 18281 10308 1 13 . 1 1 78 78 VAL H H 78 8.110 8.110 7.967 0.143 18281 10309 1 13 . 1 1 79 79 ASN N N 79 114.400 114.400 113.901 0.499 18281 10310 1 13 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.594 -0.114 18281 10311 1 13 . 1 1 79 79 ASN C C 79 173.670 173.670 174.633 -0.963 18281 10312 1 13 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.740 -0.200 18281 10313 1 13 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.508 1.582 18281 10314 1 13 . 1 1 79 79 ASN H H 79 7.700 7.700 7.990 -0.290 18281 10315 1 13 . 1 1 80 80 HIS N N 80 115.530 115.530 113.790 1.740 18281 10316 1 13 . 1 1 80 80 HIS C C 80 173.450 173.450 173.259 0.191 18281 10317 1 13 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.787 -0.257 18281 10318 1 13 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.720 0.480 18281 10319 1 13 . 1 1 80 80 HIS H H 80 6.980 6.980 6.879 0.101 18281 10320 1 13 . 1 1 81 81 THR N N 81 109.600 109.600 114.008 -4.408 18281 10321 1 13 . 1 1 81 81 THR HA H 81 5.730 5.730 5.186 0.544 18281 10322 1 13 . 1 1 81 81 THR C C 81 172.980 172.980 172.993 -0.013 18281 10323 1 13 . 1 1 81 81 THR CA C 81 60.190 60.190 62.211 -2.021 18281 10324 1 13 . 1 1 81 81 THR CB C 81 71.740 71.740 71.306 0.434 18281 10325 1 13 . 1 1 81 81 THR H H 81 7.990 7.990 7.761 0.229 18281 10326 1 13 . 1 1 82 82 TYR N N 82 125.000 125.000 128.899 -3.899 18281 10327 1 13 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.974 0.726 18281 10328 1 13 . 1 1 82 82 TYR C C 82 173.600 173.600 173.049 0.551 18281 10329 1 13 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.170 -1.840 18281 10330 1 13 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.217 0.593 18281 10331 1 13 . 1 1 82 82 TYR H H 82 9.300 9.300 9.649 -0.349 18281 10332 1 13 . 1 1 83 83 SER N N 83 121.820 121.820 123.017 -1.197 18281 10333 1 13 . 1 1 83 83 SER HA H 83 5.670 5.670 5.156 0.514 18281 10334 1 13 . 1 1 83 83 SER C C 83 173.490 173.490 172.720 0.770 18281 10335 1 13 . 1 1 83 83 SER CA C 83 56.420 56.420 56.331 0.089 18281 10336 1 13 . 1 1 83 83 SER CB C 83 65.520 65.520 65.069 0.451 18281 10337 1 13 . 1 1 83 83 SER H H 83 9.090 9.090 7.989 1.101 18281 10338 1 13 . 1 1 84 84 TYR N N 84 122.970 122.970 124.195 -1.225 18281 10339 1 13 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.162 0.068 18281 10340 1 13 . 1 1 84 84 TYR C C 84 172.530 172.530 172.800 -0.270 18281 10341 1 13 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.137 0.283 18281 10342 1 13 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.300 -0.350 18281 10343 1 13 . 1 1 84 84 TYR H H 84 8.790 8.790 9.000 -0.210 18281 10344 1 13 . 1 1 85 85 SER N N 85 114.200 114.200 113.129 1.071 18281 10345 1 13 . 1 1 85 85 SER HA H 85 5.700 5.700 5.304 0.396 18281 10346 1 13 . 1 1 85 85 SER C C 85 173.180 173.180 172.654 0.526 18281 10347 1 13 . 1 1 85 85 SER CA C 85 57.510 57.510 57.068 0.442 18281 10348 1 13 . 1 1 85 85 SER CB C 85 65.940 65.940 67.199 -1.259 18281 10349 1 13 . 1 1 85 85 SER H H 85 9.350 9.350 9.447 -0.097 18281 10350 1 13 . 1 1 86 86 LEU N N 86 128.880 128.880 122.563 6.317 18281 10351 1 13 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.917 0.313 18281 10352 1 13 . 1 1 86 86 LEU C C 86 176.230 176.230 176.156 0.074 18281 10353 1 13 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.999 1.591 18281 10354 1 13 . 1 1 86 86 LEU CB C 86 44.150 44.150 44.409 -0.259 18281 10355 1 13 . 1 1 86 86 LEU H H 86 9.900 9.900 9.268 0.632 18281 10356 1 13 . 1 1 87 87 ILE N N 87 115.900 115.900 126.706 -10.806 18281 10357 1 13 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.112 0.818 18281 10358 1 13 . 1 1 87 87 ILE C C 87 176.080 176.080 176.404 -0.324 18281 10359 1 13 . 1 1 87 87 ILE CA C 87 61.270 61.270 61.440 -0.170 18281 10360 1 13 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.284 1.546 18281 10361 1 13 . 1 1 87 87 ILE H H 87 8.180 8.180 8.767 -0.587 18281 10362 1 13 . 1 1 88 88 GLU N N 88 121.920 121.920 117.808 4.112 18281 10363 1 13 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.427 0.083 18281 10364 1 13 . 1 1 88 88 GLU C C 88 174.020 174.020 175.091 -1.071 18281 10365 1 13 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.982 2.058 18281 10366 1 13 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.679 2.291 18281 10367 1 13 . 1 1 88 88 GLU H H 88 7.650 7.650 7.796 -0.146 18281 10368 1 13 . 1 1 89 89 GLY N N 89 111.650 111.650 107.194 4.456 18281 10369 1 13 . 1 1 89 89 GLY C C 89 173.800 173.800 173.328 0.472 18281 10370 1 13 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.815 0.135 18281 10371 1 13 . 1 1 89 89 GLY H H 89 8.830 8.830 8.068 0.762 18281 10372 1 13 . 1 1 90 90 ASP N N 90 119.650 119.650 122.406 -2.756 18281 10373 1 13 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.422 -0.062 18281 10374 1 13 . 1 1 90 90 ASP C C 90 176.570 176.570 177.502 -0.932 18281 10375 1 13 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.622 0.418 18281 10376 1 13 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.691 0.589 18281 10377 1 13 . 1 1 90 90 ASP H H 90 8.430 8.430 8.626 -0.196 18281 10378 1 13 . 1 1 91 91 ALA N N 91 118.530 118.530 120.619 -2.089 18281 10379 1 13 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.176 0.064 18281 10380 1 13 . 1 1 91 91 ALA C C 91 177.740 177.740 178.557 -0.817 18281 10381 1 13 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.053 -0.843 18281 10382 1 13 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.835 0.475 18281 10383 1 13 . 1 1 91 91 ALA H H 91 7.810 7.810 7.912 -0.102 18281 10384 1 13 . 1 1 92 92 LEU N N 92 117.330 117.330 116.865 0.465 18281 10385 1 13 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.318 0.142 18281 10386 1 13 . 1 1 92 92 LEU C C 92 176.210 176.210 176.957 -0.747 18281 10387 1 13 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.877 -1.857 18281 10388 1 13 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.483 -2.273 18281 10389 1 13 . 1 1 92 92 LEU H H 92 7.600 7.600 7.127 0.473 18281 10390 1 13 . 1 1 93 93 SER N N 93 115.780 115.780 112.842 2.938 18281 10391 1 13 . 1 1 93 93 SER HA H 93 4.620 4.620 4.007 0.613 18281 10392 1 13 . 1 1 93 93 SER C C 93 173.970 173.970 174.849 -0.879 18281 10393 1 13 . 1 1 93 93 SER CA C 93 57.730 57.730 58.936 -1.206 18281 10394 1 13 . 1 1 93 93 SER CB C 93 64.920 64.920 63.492 1.428 18281 10395 1 13 . 1 1 93 93 SER H H 93 7.910 7.910 8.327 -0.417 18281 10396 1 13 . 1 1 94 94 GLU N N 94 119.400 119.400 120.408 -1.008 18281 10397 1 13 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.321 -0.161 18281 10398 1 13 . 1 1 94 94 GLU C C 94 176.570 176.570 177.036 -0.466 18281 10399 1 13 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.339 0.361 18281 10400 1 13 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.629 -0.419 18281 10401 1 13 . 1 1 94 94 GLU H H 94 8.850 8.850 8.778 0.072 18281 10402 1 13 . 1 1 95 95 ASN N N 95 113.460 113.460 116.722 -3.262 18281 10403 1 13 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.602 0.198 18281 10404 1 13 . 1 1 95 95 ASN C C 95 174.070 174.070 174.968 -0.898 18281 10405 1 13 . 1 1 95 95 ASN CA C 95 54.120 54.120 55.201 -1.081 18281 10406 1 13 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.568 -0.218 18281 10407 1 13 . 1 1 95 95 ASN H H 95 8.290 8.290 7.694 0.596 18281 10408 1 13 . 1 1 96 96 ILE N N 96 120.610 120.610 113.292 7.318 18281 10409 1 13 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.550 -0.360 18281 10410 1 13 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.634 0.296 18281 10411 1 13 . 1 1 96 96 ILE CB C 96 38.870 38.870 40.752 -1.883 18281 10412 1 13 . 1 1 96 96 ILE H H 96 7.770 7.770 7.529 0.241 18281 10413 1 13 . 1 1 97 97 GLU N N 97 126.670 126.670 125.038 1.632 18281 10414 1 13 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.562 0.228 18281 10415 1 13 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.950 0.250 18281 10416 1 13 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.497 1.453 18281 10417 1 13 . 1 1 97 97 GLU H H 97 8.460 8.460 8.544 -0.084 18281 10418 1 13 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.552 0.158 18281 10419 1 13 . 1 1 98 98 LYS C C 98 173.650 173.650 174.294 -0.644 18281 10420 1 13 . 1 1 98 98 LYS CA C 98 55.970 55.970 56.890 -0.920 18281 10421 1 13 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.409 1.391 18281 10422 1 13 . 1 1 99 99 ILE N N 99 120.290 120.290 125.931 -5.641 18281 10423 1 13 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.831 -0.041 18281 10424 1 13 . 1 1 99 99 ILE C C 99 174.690 174.690 174.008 0.682 18281 10425 1 13 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.812 0.487 18281 10426 1 13 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.789 0.761 18281 10427 1 13 . 1 1 99 99 ILE H H 99 7.720 7.720 8.251 -0.531 18281 10428 1 13 . 1 1 100 100 ASP N N 100 126.970 126.970 127.509 -0.539 18281 10429 1 13 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.834 0.266 18281 10430 1 13 . 1 1 100 100 ASP C C 100 174.490 174.490 174.162 0.328 18281 10431 1 13 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.494 0.136 18281 10432 1 13 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.378 0.472 18281 10433 1 13 . 1 1 100 100 ASP H H 100 9.220 9.220 8.002 1.218 18281 10434 1 13 . 1 1 101 101 TYR N N 101 120.640 120.640 124.515 -3.875 18281 10435 1 13 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.985 0.295 18281 10436 1 13 . 1 1 101 101 TYR C C 101 175.740 175.740 174.913 0.827 18281 10437 1 13 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.493 0.487 18281 10438 1 13 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.463 0.177 18281 10439 1 13 . 1 1 101 101 TYR H H 101 9.140 9.140 8.825 0.315 18281 10440 1 13 . 1 1 102 102 GLU N N 102 122.040 122.040 123.245 -1.205 18281 10441 1 13 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.957 0.173 18281 10442 1 13 . 1 1 102 102 GLU C C 102 175.360 175.360 175.421 -0.061 18281 10443 1 13 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.321 0.549 18281 10444 1 13 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.508 -0.438 18281 10445 1 13 . 1 1 102 102 GLU H H 102 8.670 8.670 8.858 -0.188 18281 10446 1 13 . 1 1 103 103 THR N N 103 125.840 125.840 120.954 4.886 18281 10447 1 13 . 1 1 103 103 THR HA H 103 5.580 5.580 4.936 0.644 18281 10448 1 13 . 1 1 103 103 THR C C 103 172.780 172.780 172.988 -0.208 18281 10449 1 13 . 1 1 103 103 THR CA C 103 62.150 62.150 61.741 0.409 18281 10450 1 13 . 1 1 103 103 THR CB C 103 71.750 71.750 71.256 0.494 18281 10451 1 13 . 1 1 103 103 THR H H 103 9.550 9.550 9.366 0.184 18281 10452 1 13 . 1 1 104 104 LYS N N 104 126.990 126.990 128.279 -1.289 18281 10453 1 13 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.847 0.393 18281 10454 1 13 . 1 1 104 104 LYS C C 104 174.300 174.300 174.232 0.068 18281 10455 1 13 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.371 -0.041 18281 10456 1 13 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.728 0.211 18281 10457 1 13 . 1 1 104 104 LYS H H 104 9.430 9.430 8.576 0.854 18281 10458 1 13 . 1 1 105 105 LEU N N 105 124.700 124.700 127.578 -2.878 18281 10459 1 13 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.755 0.455 18281 10460 1 13 . 1 1 105 105 LEU C C 105 175.780 175.780 176.188 -0.408 18281 10461 1 13 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.573 1.047 18281 10462 1 13 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.519 0.431 18281 10463 1 13 . 1 1 105 105 LEU H H 105 8.410 8.410 8.367 0.043 18281 10464 1 13 . 1 1 106 106 VAL N N 106 123.290 123.290 123.217 0.073 18281 10465 1 13 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.391 0.039 18281 10466 1 13 . 1 1 106 106 VAL C C 106 175.560 175.560 174.790 0.770 18281 10467 1 13 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.179 0.291 18281 10468 1 13 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.529 -0.509 18281 10469 1 13 . 1 1 106 106 VAL H H 106 9.180 9.180 9.213 -0.033 18281 10470 1 13 . 1 1 107 107 SER N N 107 121.800 121.800 121.064 0.736 18281 10471 1 13 . 1 1 107 107 SER HA H 107 4.660 4.660 4.986 -0.326 18281 10472 1 13 . 1 1 107 107 SER C C 107 173.600 173.600 173.562 0.038 18281 10473 1 13 . 1 1 107 107 SER CA C 107 59.860 59.860 56.944 2.916 18281 10474 1 13 . 1 1 107 107 SER CB C 107 63.250 63.250 64.728 -1.478 18281 10475 1 13 . 1 1 107 107 SER H H 107 8.910 8.910 8.429 0.481 18281 10476 1 13 . 1 1 108 108 ALA N N 108 129.210 129.210 126.463 2.747 18281 10477 1 13 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.868 -0.238 18281 10478 1 13 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.842 0.778 18281 10479 1 13 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.747 0.053 18281 10480 1 13 . 1 1 108 108 ALA H H 108 8.310 8.310 8.536 -0.226 18281 10481 1 13 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.233 0.187 18281 10482 1 13 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.786 -1.086 18281 10483 1 13 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.443 0.757 18281 10484 1 13 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.525 0.245 18281 10485 1 13 . 1 1 110 110 HIS C C 110 175.760 175.760 176.267 -0.507 18281 10486 1 13 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.617 -1.227 18281 10487 1 13 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.652 -0.242 18281 10488 1 13 . 1 1 111 111 GLY N N 111 108.720 108.720 108.013 0.707 18281 10489 1 13 . 1 1 111 111 GLY C C 111 174.390 174.390 173.897 0.493 18281 10490 1 13 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.218 -0.088 18281 10491 1 13 . 1 1 111 111 GLY H H 111 7.730 7.730 7.795 -0.065 18281 10492 1 13 . 1 1 112 112 GLY N N 112 107.670 107.670 108.014 -0.344 18281 10493 1 13 . 1 1 112 112 GLY C C 112 174.150 174.150 172.918 1.232 18281 10494 1 13 . 1 1 112 112 GLY CA C 112 44.420 44.420 43.949 0.471 18281 10495 1 13 . 1 1 112 112 GLY H H 112 7.600 7.600 7.880 -0.280 18281 10496 1 13 . 1 1 113 113 THR N N 113 119.830 119.830 117.119 2.711 18281 10497 1 13 . 1 1 113 113 THR HA H 113 5.060 5.060 4.996 0.064 18281 10498 1 13 . 1 1 113 113 THR C C 113 173.250 173.250 173.632 -0.382 18281 10499 1 13 . 1 1 113 113 THR CA C 113 62.990 62.990 62.074 0.916 18281 10500 1 13 . 1 1 113 113 THR CB C 113 72.270 72.270 70.871 1.399 18281 10501 1 13 . 1 1 113 113 THR H H 113 9.070 9.070 8.157 0.913 18281 10502 1 13 . 1 1 114 114 ILE N N 114 127.600 127.600 127.457 0.143 18281 10503 1 13 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.419 0.091 18281 10504 1 13 . 1 1 114 114 ILE C C 114 174.370 174.370 174.536 -0.166 18281 10505 1 13 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.956 0.204 18281 10506 1 13 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.761 0.209 18281 10507 1 13 . 1 1 114 114 ILE H H 114 9.490 9.490 9.387 0.103 18281 10508 1 13 . 1 1 115 115 ILE N N 115 129.200 129.200 127.864 1.336 18281 10509 1 13 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.865 -0.365 18281 10510 1 13 . 1 1 115 115 ILE C C 115 175.000 175.000 174.950 0.050 18281 10511 1 13 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.215 1.185 18281 10512 1 13 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.144 -2.144 18281 10513 1 13 . 1 1 115 115 ILE H H 115 9.220 9.220 9.296 -0.076 18281 10514 1 13 . 1 1 116 116 LYS N N 116 127.550 127.550 129.126 -1.576 18281 10515 1 13 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.216 -0.046 18281 10516 1 13 . 1 1 116 116 LYS C C 116 176.300 176.300 175.888 0.412 18281 10517 1 13 . 1 1 116 116 LYS CA C 116 55.370 55.370 55.153 0.217 18281 10518 1 13 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.292 0.288 18281 10519 1 13 . 1 1 116 116 LYS H H 116 9.130 9.130 8.682 0.448 18281 10520 1 13 . 1 1 117 117 THR N N 117 120.940 120.940 122.551 -1.611 18281 10521 1 13 . 1 1 117 117 THR HA H 117 5.730 5.730 5.541 0.189 18281 10522 1 13 . 1 1 117 117 THR C C 117 174.620 174.620 173.816 0.804 18281 10523 1 13 . 1 1 117 117 THR CA C 117 60.990 60.990 61.587 -0.596 18281 10524 1 13 . 1 1 117 117 THR CB C 117 71.750 71.750 71.888 -0.138 18281 10525 1 13 . 1 1 117 117 THR H H 117 9.020 9.020 8.800 0.220 18281 10526 1 13 . 1 1 118 118 THR N N 118 125.750 125.750 123.615 2.135 18281 10527 1 13 . 1 1 118 118 THR HA H 118 5.170 5.170 5.240 -0.070 18281 10528 1 13 . 1 1 118 118 THR C C 118 173.760 173.760 173.478 0.282 18281 10529 1 13 . 1 1 118 118 THR CA C 118 61.800 61.800 61.452 0.348 18281 10530 1 13 . 1 1 118 118 THR CB C 118 70.720 70.720 70.953 -0.233 18281 10531 1 13 . 1 1 118 118 THR H H 118 9.500 9.500 8.658 0.843 18281 10532 1 13 . 1 1 119 119 SER N N 119 122.250 122.250 121.203 1.047 18281 10533 1 13 . 1 1 119 119 SER HA H 119 5.270 5.270 5.350 -0.080 18281 10534 1 13 . 1 1 119 119 SER C C 119 172.960 172.960 172.613 0.347 18281 10535 1 13 . 1 1 119 119 SER CA C 119 55.860 55.860 56.967 -1.107 18281 10536 1 13 . 1 1 119 119 SER CB C 119 66.720 66.720 66.302 0.418 18281 10537 1 13 . 1 1 119 119 SER H H 119 9.410 9.410 8.642 0.768 18281 10538 1 13 . 1 1 120 120 LYS N N 120 124.120 124.120 123.435 0.685 18281 10539 1 13 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.669 0.571 18281 10540 1 13 . 1 1 120 120 LYS C C 120 174.780 174.780 173.758 1.022 18281 10541 1 13 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.954 -0.124 18281 10542 1 13 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.860 -0.700 18281 10543 1 13 . 1 1 120 120 LYS H H 120 9.150 9.150 7.616 1.534 18281 10544 1 13 . 1 1 121 121 TYR N N 121 126.500 126.500 120.149 6.351 18281 10545 1 13 . 1 1 121 121 TYR CA C 121 58.000 58.000 56.106 1.894 18281 10546 1 13 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.407 -1.207 18281 10547 1 13 . 1 1 121 121 TYR H H 121 9.800 9.800 8.536 1.264 18281 10548 1 13 . 1 1 122 122 HIS C C 122 174.670 174.670 174.045 0.625 18281 10549 1 13 . 1 1 123 123 THR N N 123 125.750 125.750 110.735 15.015 18281 10550 1 13 . 1 1 123 123 THR HA H 123 5.400 5.400 4.575 0.825 18281 10551 1 13 . 1 1 123 123 THR C C 123 174.460 174.460 174.621 -0.161 18281 10552 1 13 . 1 1 123 123 THR CA C 123 60.230 60.230 60.230 -0.000 18281 10553 1 13 . 1 1 123 123 THR CB C 123 71.260 71.260 71.200 0.060 18281 10554 1 13 . 1 1 123 123 THR H H 123 8.920 8.920 8.122 0.798 18281 10555 1 13 . 1 1 124 124 LYS N N 124 121.170 121.170 122.822 -1.652 18281 10556 1 13 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.072 0.688 18281 10557 1 13 . 1 1 124 124 LYS C C 124 176.450 176.450 177.180 -0.730 18281 10558 1 13 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.789 -3.279 18281 10559 1 13 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.654 1.246 18281 10560 1 13 . 1 1 124 124 LYS H H 124 8.590 8.590 8.693 -0.103 18281 10561 1 13 . 1 1 125 125 GLY N N 125 110.070 110.070 106.024 4.046 18281 10562 1 13 . 1 1 125 125 GLY C C 125 173.620 173.620 173.877 -0.257 18281 10563 1 13 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.224 0.046 18281 10564 1 13 . 1 1 125 125 GLY H H 125 8.390 8.390 8.566 -0.176 18281 10565 1 13 . 1 1 126 126 ASP N N 126 120.070 120.070 117.903 2.167 18281 10566 1 13 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.631 0.039 18281 10567 1 13 . 1 1 126 126 ASP C C 126 175.580 175.580 176.302 -0.722 18281 10568 1 13 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.361 0.929 18281 10569 1 13 . 1 1 126 126 ASP CB C 126 40.360 40.360 39.565 0.795 18281 10570 1 13 . 1 1 126 126 ASP H H 126 8.440 8.440 8.059 0.381 18281 10571 1 13 . 1 1 127 127 VAL N N 127 119.620 119.620 119.913 -0.293 18281 10572 1 13 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.813 0.427 18281 10573 1 13 . 1 1 127 127 VAL C C 127 174.610 174.610 176.217 -1.607 18281 10574 1 13 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.678 -2.448 18281 10575 1 13 . 1 1 127 127 VAL CB C 127 34.250 34.250 31.883 2.367 18281 10576 1 13 . 1 1 127 127 VAL H H 127 7.620 7.620 8.332 -0.712 18281 10577 1 13 . 1 1 128 128 GLU N N 128 125.030 125.030 116.644 8.386 18281 10578 1 13 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.126 0.004 18281 10579 1 13 . 1 1 128 128 GLU C C 128 175.680 175.680 174.981 0.699 18281 10580 1 13 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.702 -1.162 18281 10581 1 13 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.643 0.147 18281 10582 1 13 . 1 1 128 128 GLU H H 128 8.330 8.330 7.976 0.354 18281 10583 1 13 . 1 1 129 129 ILE N N 129 124.070 124.070 122.170 1.900 18281 10584 1 13 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.343 -0.383 18281 10585 1 13 . 1 1 129 129 ILE C C 129 175.960 175.960 174.220 1.740 18281 10586 1 13 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.314 0.036 18281 10587 1 13 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.980 -4.300 18281 10588 1 13 . 1 1 129 129 ILE H H 129 7.380 7.380 8.173 -0.793 18281 10589 1 13 . 1 1 130 130 LYS N N 130 127.800 127.800 123.242 4.558 18281 10590 1 13 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.293 -0.013 18281 10591 1 13 . 1 1 130 130 LYS C C 130 177.660 177.660 176.846 0.814 18281 10592 1 13 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.707 0.143 18281 10593 1 13 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.769 0.041 18281 10594 1 13 . 1 1 130 130 LYS H H 130 8.790 8.790 8.628 0.162 18281 10595 1 13 . 1 1 131 131 GLU N N 131 125.060 125.060 127.572 -2.512 18281 10596 1 13 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.832 -0.022 18281 10597 1 13 . 1 1 131 131 GLU C C 131 178.630 178.630 178.158 0.472 18281 10598 1 13 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.305 -0.795 18281 10599 1 13 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.623 -0.323 18281 10600 1 13 . 1 1 131 131 GLU H H 131 8.880 8.880 9.111 -0.231 18281 10601 1 13 . 1 1 132 132 GLU N N 132 117.220 117.220 116.843 0.377 18281 10602 1 13 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.960 0.020 18281 10603 1 13 . 1 1 132 132 GLU C C 132 178.630 178.630 179.029 -0.399 18281 10604 1 13 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.360 0.250 18281 10605 1 13 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.101 -0.121 18281 10606 1 13 . 1 1 132 132 GLU H H 132 9.200 9.200 8.898 0.302 18281 10607 1 13 . 1 1 133 133 HIS N N 133 119.810 119.810 118.930 0.880 18281 10608 1 13 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.258 0.212 18281 10609 1 13 . 1 1 133 133 HIS C C 133 178.430 178.430 177.931 0.499 18281 10610 1 13 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.298 0.832 18281 10611 1 13 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.860 1.460 18281 10612 1 13 . 1 1 133 133 HIS H H 133 7.500 7.500 7.481 0.019 18281 10613 1 13 . 1 1 134 134 VAL N N 134 120.370 120.370 119.069 1.301 18281 10614 1 13 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.474 0.176 18281 10615 1 13 . 1 1 134 134 VAL C C 134 179.170 179.170 177.256 1.914 18281 10616 1 13 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.064 0.116 18281 10617 1 13 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.541 1.169 18281 10618 1 13 . 1 1 134 134 VAL H H 134 7.290 7.290 7.708 -0.418 18281 10619 1 13 . 1 1 135 135 LYS N N 135 121.310 121.310 120.379 0.931 18281 10620 1 13 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.798 0.162 18281 10621 1 13 . 1 1 135 135 LYS C C 135 178.310 178.310 178.438 -0.128 18281 10622 1 13 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.859 -0.529 18281 10623 1 13 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.317 -0.137 18281 10624 1 13 . 1 1 135 135 LYS H H 135 8.310 8.310 8.426 -0.116 18281 10625 1 13 . 1 1 136 136 ALA N N 136 121.150 121.150 120.519 0.631 18281 10626 1 13 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.088 0.142 18281 10627 1 13 . 1 1 136 136 ALA C C 136 180.930 180.930 179.492 1.438 18281 10628 1 13 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.381 -0.361 18281 10629 1 13 . 1 1 136 136 ALA CB C 136 17.750 17.750 17.812 -0.062 18281 10630 1 13 . 1 1 136 136 ALA H H 136 7.950 7.950 7.935 0.015 18281 10631 1 13 . 1 1 137 137 GLY N N 137 105.640 105.640 106.385 -0.745 18281 10632 1 13 . 1 1 137 137 GLY C C 137 177.000 177.000 176.590 0.410 18281 10633 1 13 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.037 0.123 18281 10634 1 13 . 1 1 137 137 GLY H H 137 7.930 7.930 7.795 0.135 18281 10635 1 13 . 1 1 138 138 LYS N N 138 124.210 124.210 122.327 1.883 18281 10636 1 13 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.038 0.192 18281 10637 1 13 . 1 1 138 138 LYS C C 138 178.860 178.860 179.200 -0.340 18281 10638 1 13 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.275 -0.485 18281 10639 1 13 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.314 0.356 18281 10640 1 13 . 1 1 138 138 LYS H H 138 7.960 7.960 7.828 0.132 18281 10641 1 13 . 1 1 139 139 GLU N N 139 119.720 119.720 118.703 1.017 18281 10642 1 13 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.096 0.044 18281 10643 1 13 . 1 1 139 139 GLU C C 139 179.710 179.710 178.777 0.933 18281 10644 1 13 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.110 0.070 18281 10645 1 13 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.172 0.128 18281 10646 1 13 . 1 1 139 139 GLU H H 139 8.370 8.370 8.002 0.368 18281 10647 1 13 . 1 1 140 140 LYS N N 140 120.270 120.270 120.626 -0.356 18281 10648 1 13 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.943 0.167 18281 10649 1 13 . 1 1 140 140 LYS C C 140 179.210 179.210 178.931 0.279 18281 10650 1 13 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.967 -0.357 18281 10651 1 13 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.451 -0.071 18281 10652 1 13 . 1 1 140 140 LYS H H 140 8.140 8.140 8.258 -0.118 18281 10653 1 13 . 1 1 141 141 ALA N N 141 121.910 121.910 120.880 1.030 18281 10654 1 13 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.189 -0.149 18281 10655 1 13 . 1 1 141 141 ALA C C 141 179.530 179.530 179.645 -0.115 18281 10656 1 13 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.014 0.006 18281 10657 1 13 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.240 0.140 18281 10658 1 13 . 1 1 141 141 ALA H H 141 7.730 7.730 8.198 -0.468 18281 10659 1 13 . 1 1 142 142 ALA N N 142 120.440 120.440 121.304 -0.864 18281 10660 1 13 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.984 -0.104 18281 10661 1 13 . 1 1 142 142 ALA C C 142 180.080 180.080 179.317 0.763 18281 10662 1 13 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.051 -0.151 18281 10663 1 13 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.103 0.127 18281 10664 1 13 . 1 1 142 142 ALA H H 142 8.280 8.280 8.054 0.226 18281 10665 1 13 . 1 1 143 143 HIS N N 143 118.280 118.280 119.062 -0.782 18281 10666 1 13 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.251 0.099 18281 10667 1 13 . 1 1 143 143 HIS C C 143 177.350 177.350 177.697 -0.347 18281 10668 1 13 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.865 -0.435 18281 10669 1 13 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.853 0.897 18281 10670 1 13 . 1 1 143 143 HIS H H 143 8.030 8.030 8.381 -0.351 18281 10671 1 13 . 1 1 144 144 LEU N N 144 118.820 118.820 119.088 -0.268 18281 10672 1 13 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.836 0.074 18281 10673 1 13 . 1 1 144 144 LEU C C 144 179.040 179.040 178.761 0.279 18281 10674 1 13 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.560 0.520 18281 10675 1 13 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.636 -0.676 18281 10676 1 13 . 1 1 144 144 LEU H H 144 7.700 7.700 7.816 -0.116 18281 10677 1 13 . 1 1 145 145 PHE N N 145 116.920 116.920 119.726 -2.806 18281 10678 1 13 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.967 0.033 18281 10679 1 13 . 1 1 145 145 PHE C C 145 177.900 177.900 177.181 0.719 18281 10680 1 13 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.874 0.276 18281 10681 1 13 . 1 1 145 145 PHE CB C 145 37.750 37.750 38.994 -1.244 18281 10682 1 13 . 1 1 145 145 PHE H H 145 8.100 8.100 8.170 -0.070 18281 10683 1 13 . 1 1 146 146 LYS N N 146 119.710 119.710 119.673 0.037 18281 10684 1 13 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.034 0.096 18281 10685 1 13 . 1 1 146 146 LYS C C 146 177.750 177.750 178.718 -0.968 18281 10686 1 13 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.947 -1.047 18281 10687 1 13 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.076 0.204 18281 10688 1 13 . 1 1 146 146 LYS H H 146 8.040 8.040 7.600 0.440 18281 10689 1 13 . 1 1 147 147 LEU N N 147 118.970 118.970 118.670 0.300 18281 10690 1 13 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.899 0.101 18281 10691 1 13 . 1 1 147 147 LEU C C 147 180.460 180.460 178.983 1.477 18281 10692 1 13 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.448 0.022 18281 10693 1 13 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.498 0.902 18281 10694 1 13 . 1 1 147 147 LEU H H 147 7.960 7.960 7.141 0.819 18281 10695 1 13 . 1 1 148 148 ILE N N 148 121.410 121.410 119.328 2.082 18281 10696 1 13 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.417 0.123 18281 10697 1 13 . 1 1 148 148 ILE C C 148 177.030 177.030 177.931 -0.901 18281 10698 1 13 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.493 -0.093 18281 10699 1 13 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.166 0.524 18281 10700 1 13 . 1 1 148 148 ILE H H 148 8.200 8.200 7.482 0.718 18281 10701 1 13 . 1 1 149 149 GLU N N 149 120.450 120.450 119.514 0.936 18281 10702 1 13 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.961 -0.281 18281 10703 1 13 . 1 1 149 149 GLU C C 149 178.540 178.540 179.488 -0.948 18281 10704 1 13 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.478 0.842 18281 10705 1 13 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.297 -0.467 18281 10706 1 13 . 1 1 149 149 GLU H H 149 8.680 8.680 7.525 1.155 18281 10707 1 13 . 1 1 150 150 GLY N N 150 104.450 104.450 106.764 -2.314 18281 10708 1 13 . 1 1 150 150 GLY C C 150 175.670 175.670 175.828 -0.158 18281 10709 1 13 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.420 0.830 18281 10710 1 13 . 1 1 150 150 GLY H H 150 8.180 8.180 7.783 0.397 18281 10711 1 13 . 1 1 151 151 TYR N N 151 122.120 122.120 124.510 -2.390 18281 10712 1 13 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.060 0.320 18281 10713 1 13 . 1 1 151 151 TYR C C 151 179.360 179.360 177.298 2.062 18281 10714 1 13 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.282 0.038 18281 10715 1 13 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.609 -2.219 18281 10716 1 13 . 1 1 151 151 TYR H H 151 7.910 7.910 8.345 -0.435 18281 10717 1 13 . 1 1 152 152 LEU N N 152 120.020 120.020 119.109 0.911 18281 10718 1 13 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.977 0.053 18281 10719 1 13 . 1 1 152 152 LEU C C 152 180.320 180.320 178.736 1.584 18281 10720 1 13 . 1 1 152 152 LEU CA C 152 57.760 57.760 58.085 -0.325 18281 10721 1 13 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.770 -0.770 18281 10722 1 13 . 1 1 152 152 LEU H H 152 8.630 8.630 8.053 0.577 18281 10723 1 13 . 1 1 153 153 LYS N N 153 119.730 119.730 119.096 0.634 18281 10724 1 13 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.987 -0.017 18281 10725 1 13 . 1 1 153 153 LYS C C 153 178.150 178.150 179.442 -1.292 18281 10726 1 13 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.469 -0.070 18281 10727 1 13 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.323 0.027 18281 10728 1 13 . 1 1 153 153 LYS H H 153 8.260 8.260 7.725 0.535 18281 10729 1 13 . 1 1 154 154 ASP N N 154 117.020 117.020 117.486 -0.466 18281 10730 1 13 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.282 -0.282 18281 10731 1 13 . 1 1 154 154 ASP C C 154 175.660 175.660 175.334 0.326 18281 10732 1 13 . 1 1 154 154 ASP CA C 154 55.030 55.030 54.224 0.806 18281 10733 1 13 . 1 1 154 154 ASP H H 154 7.560 7.560 7.986 -0.426 18281 10734 1 13 . 1 1 155 155 HIS N N 155 117.160 117.160 116.837 0.323 18281 10735 1 13 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.048 0.852 18281 10736 1 13 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.031 -0.881 18281 10737 1 13 . 1 1 155 155 HIS CB C 155 27.990 27.990 26.508 1.482 18281 10738 1 13 . 1 1 155 155 HIS H H 155 7.430 7.430 7.718 -0.288 18281 10739 1 14 . 1 1 3 3 VAL N N 3 119.910 119.910 122.103 -2.193 18281 10740 1 14 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.373 0.547 18281 10741 1 14 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.390 -0.370 18281 10742 1 14 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.998 1.132 18281 10743 1 14 . 1 1 3 3 VAL H H 3 7.630 7.630 7.863 -0.233 18281 10744 1 14 . 1 1 4 4 TYR N N 4 119.930 119.930 124.712 -4.782 18281 10745 1 14 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.804 -0.134 18281 10746 1 14 . 1 1 4 4 TYR C C 4 174.670 174.670 175.780 -1.110 18281 10747 1 14 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.861 0.609 18281 10748 1 14 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.855 0.416 18281 10749 1 14 . 1 1 4 4 TYR H H 4 8.660 8.660 8.392 0.268 18281 10750 1 14 . 1 1 5 5 THR N N 5 119.930 119.930 117.261 2.669 18281 10751 1 14 . 1 1 5 5 THR HA H 5 5.290 5.290 4.809 0.481 18281 10752 1 14 . 1 1 5 5 THR C C 5 173.180 173.180 173.477 -0.297 18281 10753 1 14 . 1 1 5 5 THR CA C 5 61.780 61.780 61.873 -0.093 18281 10754 1 14 . 1 1 5 5 THR CB C 5 70.360 70.360 69.947 0.413 18281 10755 1 14 . 1 1 5 5 THR H H 5 8.230 8.230 8.418 -0.188 18281 10756 1 14 . 1 1 6 6 TYR N N 6 125.060 125.060 126.501 -1.441 18281 10757 1 14 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.780 0.510 18281 10758 1 14 . 1 1 6 6 TYR C C 6 174.380 174.380 173.354 1.026 18281 10759 1 14 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.970 0.140 18281 10760 1 14 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.980 -0.130 18281 10761 1 14 . 1 1 6 6 TYR H H 6 9.210 9.210 8.555 0.655 18281 10762 1 14 . 1 1 7 7 GLU N N 7 122.360 122.360 127.747 -5.387 18281 10763 1 14 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.822 0.538 18281 10764 1 14 . 1 1 7 7 GLU C C 7 175.390 175.390 174.403 0.987 18281 10765 1 14 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.252 0.728 18281 10766 1 14 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.103 0.947 18281 10767 1 14 . 1 1 7 7 GLU H H 7 8.830 8.830 8.058 0.772 18281 10768 1 14 . 1 1 8 8 ASN N N 8 119.960 119.960 124.225 -4.265 18281 10769 1 14 . 1 1 8 8 ASN HA H 8 5.100 5.100 4.999 0.101 18281 10770 1 14 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.382 0.238 18281 10771 1 14 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.183 2.027 18281 10772 1 14 . 1 1 8 8 ASN H H 8 8.800 8.800 8.976 -0.176 18281 10773 1 14 . 1 1 9 9 GLU N N 9 121.420 121.420 125.572 -4.152 18281 10774 1 14 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.839 0.761 18281 10775 1 14 . 1 1 9 9 GLU C C 9 174.590 174.590 175.084 -0.494 18281 10776 1 14 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.456 -0.686 18281 10777 1 14 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.046 2.704 18281 10778 1 14 . 1 1 9 9 GLU H H 9 8.330 8.330 8.750 -0.420 18281 10779 1 14 . 1 1 10 10 PHE N N 10 121.240 121.240 125.845 -4.605 18281 10780 1 14 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.934 0.086 18281 10781 1 14 . 1 1 10 10 PHE C C 10 173.880 173.880 173.191 0.689 18281 10782 1 14 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.264 -1.714 18281 10783 1 14 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.476 -2.006 18281 10784 1 14 . 1 1 10 10 PHE H H 10 8.760 8.760 9.220 -0.460 18281 10785 1 14 . 1 1 11 11 THR N N 11 113.110 113.110 117.356 -4.246 18281 10786 1 14 . 1 1 11 11 THR HA H 11 5.170 5.170 4.754 0.416 18281 10787 1 14 . 1 1 11 11 THR C C 11 173.530 173.530 173.243 0.287 18281 10788 1 14 . 1 1 11 11 THR CA C 11 60.940 60.940 60.027 0.913 18281 10789 1 14 . 1 1 11 11 THR CB C 11 71.260 71.260 70.664 0.596 18281 10790 1 14 . 1 1 11 11 THR H H 11 8.470 8.470 7.346 1.124 18281 10791 1 14 . 1 1 12 12 SER N N 12 115.490 115.490 119.288 -3.798 18281 10792 1 14 . 1 1 12 12 SER C C 12 173.530 173.530 172.957 0.573 18281 10793 1 14 . 1 1 12 12 SER CA C 12 56.460 56.460 57.036 -0.576 18281 10794 1 14 . 1 1 12 12 SER CB C 12 66.320 66.320 66.224 0.096 18281 10795 1 14 . 1 1 12 12 SER H H 12 8.870 8.870 8.875 -0.005 18281 10796 1 14 . 1 1 13 13 ASP N N 13 126.650 126.650 123.944 2.706 18281 10797 1 14 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.699 0.041 18281 10798 1 14 . 1 1 13 13 ASP C C 13 174.520 174.520 176.475 -1.955 18281 10799 1 14 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.803 0.227 18281 10800 1 14 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.390 -0.390 18281 10801 1 14 . 1 1 13 13 ASP H H 13 9.060 9.060 9.001 0.059 18281 10802 1 14 . 1 1 14 14 ILE N N 14 123.580 123.580 116.255 7.325 18281 10803 1 14 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.893 0.457 18281 10804 1 14 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.275 -3.885 18281 10805 1 14 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.467 -0.126 18281 10806 1 14 . 1 1 14 14 ILE H H 14 8.470 8.470 8.206 0.264 18281 10807 1 14 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.505 -0.065 18281 10808 1 14 . 1 1 15 15 PRO C C 15 177.130 177.130 177.671 -0.541 18281 10809 1 14 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.309 0.761 18281 10810 1 14 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.714 0.736 18281 10811 1 14 . 1 1 16 16 ALA N N 16 126.780 126.780 126.242 0.538 18281 10812 1 14 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.019 -0.019 18281 10813 1 14 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.083 0.017 18281 10814 1 14 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.138 0.162 18281 10815 1 14 . 1 1 16 16 ALA H H 16 8.570 8.570 8.521 0.049 18281 10816 1 14 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.328 -0.428 18281 10817 1 14 . 1 1 17 17 PRO C C 17 179.610 179.610 179.133 0.477 18281 10818 1 14 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.422 0.588 18281 10819 1 14 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.225 -0.325 18281 10820 1 14 . 1 1 18 18 LYS N N 18 116.630 116.630 118.944 -2.314 18281 10821 1 14 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.157 -0.017 18281 10822 1 14 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.462 -0.192 18281 10823 1 14 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.880 0.440 18281 10824 1 14 . 1 1 18 18 LYS H H 18 6.710 6.710 8.107 -1.397 18281 10825 1 14 . 1 1 19 19 LEU N N 19 118.930 118.930 120.513 -1.583 18281 10826 1 14 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.188 -0.348 18281 10827 1 14 . 1 1 19 19 LEU C C 19 178.380 178.380 178.162 0.218 18281 10828 1 14 . 1 1 19 19 LEU CA C 19 57.430 57.430 57.442 -0.012 18281 10829 1 14 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.332 -0.242 18281 10830 1 14 . 1 1 19 19 LEU H H 19 7.950 7.950 8.244 -0.294 18281 10831 1 14 . 1 1 20 20 PHE N N 20 118.660 118.660 120.250 -1.590 18281 10832 1 14 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.196 -0.346 18281 10833 1 14 . 1 1 20 20 PHE C C 20 177.680 177.680 177.269 0.411 18281 10834 1 14 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.913 0.967 18281 10835 1 14 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.276 0.144 18281 10836 1 14 . 1 1 20 20 PHE H H 20 9.040 9.040 8.606 0.434 18281 10837 1 14 . 1 1 21 21 LYS N N 21 118.430 118.430 119.986 -1.556 18281 10838 1 14 . 1 1 21 21 LYS HA H 21 3.770 3.770 4.026 -0.256 18281 10839 1 14 . 1 1 21 21 LYS C C 21 176.400 176.400 178.682 -2.282 18281 10840 1 14 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.724 0.436 18281 10841 1 14 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.558 0.442 18281 10842 1 14 . 1 1 21 21 LYS H H 21 7.630 7.630 8.292 -0.662 18281 10843 1 14 . 1 1 22 22 ALA N N 22 118.710 118.710 120.640 -1.930 18281 10844 1 14 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.172 0.598 18281 10845 1 14 . 1 1 22 22 ALA C C 22 175.450 175.450 178.708 -3.258 18281 10846 1 14 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.287 1.253 18281 10847 1 14 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.673 1.527 18281 10848 1 14 . 1 1 22 22 ALA H H 22 7.390 7.390 7.444 -0.054 18281 10849 1 14 . 1 1 23 23 PHE N N 23 109.720 109.720 116.580 -6.860 18281 10850 1 14 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.221 0.019 18281 10851 1 14 . 1 1 23 23 PHE C C 23 174.130 174.130 175.502 -1.372 18281 10852 1 14 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.112 -1.792 18281 10853 1 14 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.169 0.271 18281 10854 1 14 . 1 1 23 23 PHE H H 23 8.400 8.400 7.906 0.494 18281 10855 1 14 . 1 1 24 24 VAL N N 24 113.250 113.250 116.778 -3.528 18281 10856 1 14 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.328 -0.008 18281 10857 1 14 . 1 1 24 24 VAL C C 24 177.660 177.660 177.332 0.328 18281 10858 1 14 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.916 -0.416 18281 10859 1 14 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.235 -1.355 18281 10860 1 14 . 1 1 24 24 VAL H H 24 7.220 7.220 7.477 -0.257 18281 10861 1 14 . 1 1 25 25 LEU N N 25 116.250 116.250 121.679 -5.429 18281 10862 1 14 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.074 -0.184 18281 10863 1 14 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.420 0.490 18281 10864 1 14 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.176 -1.176 18281 10865 1 14 . 1 1 25 25 LEU H H 25 7.180 7.180 7.814 -0.634 18281 10866 1 14 . 1 1 26 26 ASP N N 26 117.160 117.160 117.365 -0.205 18281 10867 1 14 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.677 0.623 18281 10868 1 14 . 1 1 26 26 ASP C C 26 177.300 177.300 176.052 1.248 18281 10869 1 14 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.080 -0.910 18281 10870 1 14 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.197 2.723 18281 10871 1 14 . 1 1 26 26 ASP H H 26 8.070 8.070 7.676 0.394 18281 10872 1 14 . 1 1 27 27 ALA N N 27 123.040 123.040 122.558 0.482 18281 10873 1 14 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.666 0.094 18281 10874 1 14 . 1 1 27 27 ALA C C 27 178.900 178.900 178.480 0.420 18281 10875 1 14 . 1 1 27 27 ALA CA C 27 56.040 56.040 55.024 1.016 18281 10876 1 14 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.437 0.993 18281 10877 1 14 . 1 1 27 27 ALA H H 27 6.360 6.360 6.945 -0.585 18281 10878 1 14 . 1 1 28 28 ASP N N 28 115.060 115.060 117.265 -2.205 18281 10879 1 14 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.243 -0.263 18281 10880 1 14 . 1 1 28 28 ASP C C 28 175.850 175.850 176.627 -0.777 18281 10881 1 14 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.110 -1.570 18281 10882 1 14 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.234 -0.594 18281 10883 1 14 . 1 1 28 28 ASP H H 28 8.290 8.290 8.466 -0.176 18281 10884 1 14 . 1 1 29 29 ASN N N 29 113.110 113.110 115.555 -2.445 18281 10885 1 14 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.534 0.196 18281 10886 1 14 . 1 1 29 29 ASN C C 29 176.430 176.430 176.708 -0.278 18281 10887 1 14 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.843 -1.233 18281 10888 1 14 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.318 0.942 18281 10889 1 14 . 1 1 29 29 ASN H H 29 7.360 7.360 7.598 -0.238 18281 10890 1 14 . 1 1 30 30 LEU N N 30 120.630 120.630 122.141 -1.511 18281 10891 1 14 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.703 0.317 18281 10892 1 14 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.452 0.348 18281 10893 1 14 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.347 1.433 18281 10894 1 14 . 1 1 30 30 LEU H H 30 8.320 8.320 8.464 -0.144 18281 10895 1 14 . 1 1 31 31 ILE N N 31 116.170 116.170 119.130 -2.960 18281 10896 1 14 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.590 0.060 18281 10897 1 14 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.331 -0.530 18281 10898 1 14 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.275 -1.365 18281 10899 1 14 . 1 1 31 31 ILE H H 31 8.140 8.140 7.431 0.709 18281 10900 1 14 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.209 0.311 18281 10901 1 14 . 1 1 32 32 PRO C C 32 177.680 177.680 177.771 -0.091 18281 10902 1 14 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.431 1.089 18281 10903 1 14 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.213 0.307 18281 10904 1 14 . 1 1 33 33 LYS N N 33 112.410 112.410 118.998 -6.588 18281 10905 1 14 . 1 1 33 33 LYS HA H 33 4.150 4.150 3.985 0.165 18281 10906 1 14 . 1 1 33 33 LYS C C 33 178.220 178.220 178.324 -0.104 18281 10907 1 14 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.371 -0.081 18281 10908 1 14 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.908 1.002 18281 10909 1 14 . 1 1 33 33 LYS H H 33 6.880 6.880 7.632 -0.752 18281 10910 1 14 . 1 1 34 34 ILE N N 34 112.260 112.260 116.740 -4.480 18281 10911 1 14 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.936 0.384 18281 10912 1 14 . 1 1 34 34 ILE C C 34 175.920 175.920 176.373 -0.453 18281 10913 1 14 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.586 -1.766 18281 10914 1 14 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.404 0.945 18281 10915 1 14 . 1 1 34 34 ILE H H 34 7.560 7.560 7.413 0.147 18281 10916 1 14 . 1 1 35 35 ALA N N 35 124.420 124.420 121.281 3.139 18281 10917 1 14 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.856 0.115 18281 10918 1 14 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.555 0.805 18281 10919 1 14 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.343 -0.083 18281 10920 1 14 . 1 1 35 35 ALA H H 35 8.820 8.820 7.356 1.464 18281 10921 1 14 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.311 0.419 18281 10922 1 14 . 1 1 36 36 PRO C C 36 177.890 177.890 177.507 0.383 18281 10923 1 14 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.632 -0.392 18281 10924 1 14 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.255 -0.575 18281 10925 1 14 . 1 1 37 37 GLN N N 37 115.580 115.580 117.692 -2.112 18281 10926 1 14 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.080 0.170 18281 10927 1 14 . 1 1 37 37 GLN C C 37 177.740 177.740 177.716 0.024 18281 10928 1 14 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.014 -0.704 18281 10929 1 14 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.709 -0.189 18281 10930 1 14 . 1 1 37 37 GLN H H 37 8.660 8.660 8.612 0.048 18281 10931 1 14 . 1 1 38 38 ALA N N 38 123.250 123.250 120.384 2.866 18281 10932 1 14 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.385 0.005 18281 10933 1 14 . 1 1 38 38 ALA C C 38 177.850 177.850 177.776 0.074 18281 10934 1 14 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.659 -0.159 18281 10935 1 14 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.047 0.784 18281 10936 1 14 . 1 1 38 38 ALA H H 38 8.030 8.030 8.162 -0.132 18281 10937 1 14 . 1 1 39 39 VAL N N 39 117.330 117.330 114.230 3.100 18281 10938 1 14 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.188 -0.058 18281 10939 1 14 . 1 1 39 39 VAL C C 39 172.750 172.750 175.190 -2.440 18281 10940 1 14 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.618 1.832 18281 10941 1 14 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.435 -1.805 18281 10942 1 14 . 1 1 39 39 VAL H H 39 7.660 7.660 7.284 0.376 18281 10943 1 14 . 1 1 40 40 LYS N N 40 125.270 125.270 126.195 -0.925 18281 10944 1 14 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.185 0.275 18281 10945 1 14 . 1 1 40 40 LYS C C 40 177.240 177.240 176.601 0.639 18281 10946 1 14 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.382 -0.932 18281 10947 1 14 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.338 0.662 18281 10948 1 14 . 1 1 40 40 LYS H H 40 8.910 8.910 8.799 0.111 18281 10949 1 14 . 1 1 41 41 CYS N N 41 112.210 112.210 115.691 -3.481 18281 10950 1 14 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.362 0.198 18281 10951 1 14 . 1 1 41 41 CYS C C 41 170.900 170.900 172.575 -1.675 18281 10952 1 14 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.260 -2.240 18281 10953 1 14 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.846 -0.046 18281 10954 1 14 . 1 1 41 41 CYS H H 41 7.680 7.680 7.755 -0.075 18281 10955 1 14 . 1 1 42 42 ALA N N 42 125.620 125.620 128.966 -3.346 18281 10956 1 14 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.677 0.543 18281 10957 1 14 . 1 1 42 42 ALA C C 42 175.690 175.690 176.293 -0.603 18281 10958 1 14 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.224 -0.244 18281 10959 1 14 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.671 2.329 18281 10960 1 14 . 1 1 42 42 ALA H H 42 8.700 8.700 8.570 0.130 18281 10961 1 14 . 1 1 43 43 GLU N N 43 120.730 120.730 123.473 -2.743 18281 10962 1 14 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.702 -0.042 18281 10963 1 14 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.627 -0.257 18281 10964 1 14 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.581 0.539 18281 10965 1 14 . 1 1 43 43 GLU H H 43 8.810 8.810 8.149 0.661 18281 10966 1 14 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.462 -0.422 18281 10967 1 14 . 1 1 44 44 ILE C C 44 176.190 176.190 175.922 0.268 18281 10968 1 14 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.758 1.232 18281 10969 1 14 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.569 -0.789 18281 10970 1 14 . 1 1 45 45 LEU N N 45 129.030 129.030 129.415 -0.385 18281 10971 1 14 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.252 0.198 18281 10972 1 14 . 1 1 45 45 LEU C C 45 177.270 177.270 176.667 0.603 18281 10973 1 14 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.608 -0.598 18281 10974 1 14 . 1 1 45 45 LEU CB C 45 42.480 42.480 43.088 -0.608 18281 10975 1 14 . 1 1 45 45 LEU H H 45 9.090 9.090 9.008 0.082 18281 10976 1 14 . 1 1 46 46 GLU N N 46 116.640 116.640 113.858 2.782 18281 10977 1 14 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.469 0.141 18281 10978 1 14 . 1 1 46 46 GLU C C 46 174.840 174.840 175.694 -0.854 18281 10979 1 14 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.347 0.263 18281 10980 1 14 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.048 0.522 18281 10981 1 14 . 1 1 46 46 GLU H H 46 7.700 7.700 7.531 0.169 18281 10982 1 14 . 1 1 47 47 GLY N N 47 110.230 110.230 110.324 -0.094 18281 10983 1 14 . 1 1 47 47 GLY C C 47 173.630 173.630 173.802 -0.172 18281 10984 1 14 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.714 -1.034 18281 10985 1 14 . 1 1 47 47 GLY H H 47 8.620 8.620 8.784 -0.164 18281 10986 1 14 . 1 1 48 48 ASP N N 48 115.220 115.220 120.884 -5.664 18281 10987 1 14 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.365 0.405 18281 10988 1 14 . 1 1 48 48 ASP C C 48 177.340 177.340 176.005 1.335 18281 10989 1 14 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.848 -1.928 18281 10990 1 14 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.293 2.387 18281 10991 1 14 . 1 1 48 48 ASP H H 48 7.960 7.960 8.464 -0.504 18281 10992 1 14 . 1 1 49 49 GLY N N 49 110.900 110.900 102.128 8.772 18281 10993 1 14 . 1 1 49 49 GLY C C 49 174.750 174.750 174.213 0.537 18281 10994 1 14 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.248 0.062 18281 10995 1 14 . 1 1 49 49 GLY H H 49 8.750 8.750 8.463 0.287 18281 10996 1 14 . 1 1 50 50 GLY N N 50 107.020 107.020 108.515 -1.495 18281 10997 1 14 . 1 1 50 50 GLY CA C 50 43.600 43.600 43.057 0.543 18281 10998 1 14 . 1 1 50 50 GLY H H 50 8.300 8.300 8.274 0.026 18281 10999 1 14 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.318 -0.358 18281 11000 1 14 . 1 1 51 51 PRO C C 51 176.780 176.780 176.767 0.013 18281 11001 1 14 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.295 1.705 18281 11002 1 14 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.910 -0.040 18281 11003 1 14 . 1 1 52 52 GLY N N 52 114.320 114.320 114.788 -0.468 18281 11004 1 14 . 1 1 52 52 GLY C C 52 174.170 174.170 174.311 -0.141 18281 11005 1 14 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.554 -0.874 18281 11006 1 14 . 1 1 52 52 GLY H H 52 9.240 9.240 9.001 0.239 18281 11007 1 14 . 1 1 53 53 THR N N 53 118.900 118.900 116.154 2.746 18281 11008 1 14 . 1 1 53 53 THR HA H 53 4.660 4.660 4.546 0.114 18281 11009 1 14 . 1 1 53 53 THR C C 53 173.510 173.510 173.943 -0.433 18281 11010 1 14 . 1 1 53 53 THR CA C 53 64.580 64.580 63.333 1.248 18281 11011 1 14 . 1 1 53 53 THR CB C 53 70.070 70.070 69.806 0.264 18281 11012 1 14 . 1 1 53 53 THR H H 53 7.910 7.910 7.420 0.490 18281 11013 1 14 . 1 1 54 54 ILE N N 54 124.830 124.830 125.537 -0.707 18281 11014 1 14 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.623 0.687 18281 11015 1 14 . 1 1 54 54 ILE C C 54 175.260 175.260 174.929 0.331 18281 11016 1 14 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.428 -0.558 18281 11017 1 14 . 1 1 54 54 ILE CB C 54 39.450 39.450 40.023 -0.573 18281 11018 1 14 . 1 1 54 54 ILE H H 54 8.550 8.550 8.890 -0.340 18281 11019 1 14 . 1 1 55 55 LYS N N 55 126.970 126.970 125.839 1.131 18281 11020 1 14 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.214 0.086 18281 11021 1 14 . 1 1 55 55 LYS C C 55 173.950 173.950 175.269 -1.319 18281 11022 1 14 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.443 -0.613 18281 11023 1 14 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.386 0.344 18281 11024 1 14 . 1 1 55 55 LYS H H 55 9.400 9.400 8.981 0.419 18281 11025 1 14 . 1 1 56 56 LYS N N 56 124.220 124.220 124.264 -0.044 18281 11026 1 14 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.758 0.522 18281 11027 1 14 . 1 1 56 56 LYS C C 56 175.230 175.230 174.470 0.760 18281 11028 1 14 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.734 -0.944 18281 11029 1 14 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.932 0.128 18281 11030 1 14 . 1 1 56 56 LYS H H 56 9.360 9.360 8.990 0.370 18281 11031 1 14 . 1 1 57 57 ILE N N 57 132.380 132.380 127.420 4.960 18281 11032 1 14 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.399 0.241 18281 11033 1 14 . 1 1 57 57 ILE C C 57 174.840 174.840 174.956 -0.116 18281 11034 1 14 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.047 0.433 18281 11035 1 14 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.313 -2.043 18281 11036 1 14 . 1 1 57 57 ILE H H 57 9.240 9.240 9.114 0.126 18281 11037 1 14 . 1 1 58 58 THR N N 58 122.310 122.310 121.268 1.042 18281 11038 1 14 . 1 1 58 58 THR HA H 58 5.180 5.180 4.688 0.492 18281 11039 1 14 . 1 1 58 58 THR C C 58 174.260 174.260 173.103 1.157 18281 11040 1 14 . 1 1 58 58 THR CA C 58 61.720 61.720 61.599 0.121 18281 11041 1 14 . 1 1 58 58 THR CB C 58 70.640 70.640 70.528 0.112 18281 11042 1 14 . 1 1 58 58 THR H H 58 8.720 8.720 8.295 0.425 18281 11043 1 14 . 1 1 59 59 PHE N N 59 124.570 124.570 125.496 -0.926 18281 11044 1 14 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.721 0.299 18281 11045 1 14 . 1 1 59 59 PHE C C 59 174.510 174.510 176.299 -1.789 18281 11046 1 14 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.243 -0.793 18281 11047 1 14 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.641 0.369 18281 11048 1 14 . 1 1 59 59 PHE H H 59 8.570 8.570 8.449 0.121 18281 11049 1 14 . 1 1 60 60 GLY N N 60 104.600 104.600 113.835 -9.235 18281 11050 1 14 . 1 1 60 60 GLY C C 60 173.500 173.500 173.545 -0.045 18281 11051 1 14 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.710 0.120 18281 11052 1 14 . 1 1 60 60 GLY H H 60 7.800 7.800 8.393 -0.593 18281 11053 1 14 . 1 1 61 61 GLU N N 61 119.400 119.400 121.266 -1.866 18281 11054 1 14 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.430 -0.320 18281 11055 1 14 . 1 1 61 61 GLU CA C 61 56.800 56.800 55.701 1.099 18281 11056 1 14 . 1 1 61 61 GLU CB C 61 30.940 30.940 31.338 -0.398 18281 11057 1 14 . 1 1 61 61 GLU H H 61 8.290 8.290 8.451 -0.161 18281 11058 1 14 . 1 1 62 62 GLY N N 62 110.940 110.940 112.939 -1.999 18281 11059 1 14 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.146 1.054 18281 11060 1 14 . 1 1 62 62 GLY H H 62 8.870 8.870 8.689 0.181 18281 11061 1 14 . 1 1 66 66 GLY C C 66 176.930 176.930 172.483 4.447 18281 11062 1 14 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.063 0.017 18281 11063 1 14 . 1 1 67 67 TYR N N 67 115.490 115.490 116.751 -1.261 18281 11064 1 14 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.708 -0.128 18281 11065 1 14 . 1 1 67 67 TYR C C 67 175.470 175.470 173.587 1.883 18281 11066 1 14 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.345 0.575 18281 11067 1 14 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.474 0.246 18281 11068 1 14 . 1 1 67 67 TYR H H 67 8.110 8.110 7.618 0.492 18281 11069 1 14 . 1 1 68 68 VAL N N 68 111.980 111.980 122.143 -10.163 18281 11070 1 14 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.742 0.278 18281 11071 1 14 . 1 1 68 68 VAL C C 68 175.480 175.480 175.305 0.175 18281 11072 1 14 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.569 -1.069 18281 11073 1 14 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.644 0.816 18281 11074 1 14 . 1 1 68 68 VAL H H 68 8.840 8.840 8.587 0.253 18281 11075 1 14 . 1 1 69 69 LYS N N 69 118.430 118.430 124.163 -5.733 18281 11076 1 14 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.079 0.621 18281 11077 1 14 . 1 1 69 69 LYS C C 69 175.740 175.740 175.264 0.476 18281 11078 1 14 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.336 1.034 18281 11079 1 14 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.508 1.072 18281 11080 1 14 . 1 1 69 69 LYS H H 69 8.590 8.590 9.048 -0.458 18281 11081 1 14 . 1 1 70 70 HIS N N 70 122.590 122.590 120.793 1.797 18281 11082 1 14 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.438 0.752 18281 11083 1 14 . 1 1 70 70 HIS C C 70 174.590 174.590 173.811 0.779 18281 11084 1 14 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.345 -3.505 18281 11085 1 14 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.239 2.771 18281 11086 1 14 . 1 1 70 70 HIS H H 70 9.160 9.160 8.521 0.639 18281 11087 1 14 . 1 1 71 71 LYS N N 71 122.760 122.760 123.897 -1.137 18281 11088 1 14 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.558 -0.068 18281 11089 1 14 . 1 1 71 71 LYS C C 71 175.500 175.500 175.019 0.481 18281 11090 1 14 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.752 0.288 18281 11091 1 14 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.277 -0.407 18281 11092 1 14 . 1 1 71 71 LYS H H 71 9.460 9.460 9.421 0.039 18281 11093 1 14 . 1 1 72 72 ILE N N 72 127.870 127.870 126.470 1.400 18281 11094 1 14 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.403 -0.523 18281 11095 1 14 . 1 1 72 72 ILE C C 72 175.430 175.430 175.845 -0.415 18281 11096 1 14 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.690 1.710 18281 11097 1 14 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.469 -1.429 18281 11098 1 14 . 1 1 72 72 ILE H H 72 9.320 9.320 8.632 0.688 18281 11099 1 14 . 1 1 73 73 HIS N N 73 127.690 127.690 126.299 1.391 18281 11100 1 14 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.660 0.460 18281 11101 1 14 . 1 1 73 73 HIS C C 73 176.240 176.240 175.064 1.176 18281 11102 1 14 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.897 -0.927 18281 11103 1 14 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.812 0.128 18281 11104 1 14 . 1 1 73 73 HIS H H 73 9.080 9.080 8.489 0.591 18281 11105 1 14 . 1 1 74 74 SER N N 74 110.900 110.900 111.621 -0.721 18281 11106 1 14 . 1 1 74 74 SER HA H 74 4.760 4.760 4.609 0.151 18281 11107 1 14 . 1 1 74 74 SER C C 74 172.620 172.620 172.369 0.251 18281 11108 1 14 . 1 1 74 74 SER CA C 74 57.880 57.880 57.793 0.087 18281 11109 1 14 . 1 1 74 74 SER CB C 74 66.790 66.790 65.293 1.498 18281 11110 1 14 . 1 1 74 74 SER H H 74 8.180 8.180 7.910 0.270 18281 11111 1 14 . 1 1 75 75 ILE N N 75 123.780 123.780 116.124 7.656 18281 11112 1 14 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.871 -0.191 18281 11113 1 14 . 1 1 75 75 ILE C C 75 174.010 174.010 174.581 -0.571 18281 11114 1 14 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.825 2.314 18281 11115 1 14 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.131 -0.821 18281 11116 1 14 . 1 1 75 75 ILE H H 75 8.730 8.730 8.195 0.535 18281 11117 1 14 . 1 1 76 76 ASP N N 76 127.280 127.280 126.115 1.165 18281 11118 1 14 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.041 0.039 18281 11119 1 14 . 1 1 76 76 ASP C C 76 176.680 176.680 176.064 0.616 18281 11120 1 14 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.285 -1.155 18281 11121 1 14 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.589 -0.039 18281 11122 1 14 . 1 1 76 76 ASP H H 76 9.110 9.110 8.987 0.123 18281 11123 1 14 . 1 1 77 77 LYS N N 77 122.400 122.400 122.810 -0.410 18281 11124 1 14 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.813 0.167 18281 11125 1 14 . 1 1 77 77 LYS C C 77 175.980 175.980 177.045 -1.065 18281 11126 1 14 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.409 -1.989 18281 11127 1 14 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.377 0.403 18281 11128 1 14 . 1 1 77 77 LYS H H 77 8.890 8.890 8.605 0.285 18281 11129 1 14 . 1 1 78 78 VAL N N 78 119.300 119.300 116.406 2.894 18281 11130 1 14 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.571 0.089 18281 11131 1 14 . 1 1 78 78 VAL C C 78 176.290 176.290 176.466 -0.176 18281 11132 1 14 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.661 -0.241 18281 11133 1 14 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.737 0.363 18281 11134 1 14 . 1 1 78 78 VAL H H 78 8.110 8.110 7.831 0.279 18281 11135 1 14 . 1 1 79 79 ASN N N 79 114.400 114.400 116.344 -1.944 18281 11136 1 14 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.600 -0.120 18281 11137 1 14 . 1 1 79 79 ASN C C 79 173.670 173.670 174.305 -0.635 18281 11138 1 14 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.101 -0.561 18281 11139 1 14 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.883 1.207 18281 11140 1 14 . 1 1 79 79 ASN H H 79 7.700 7.700 7.726 -0.026 18281 11141 1 14 . 1 1 80 80 HIS N N 80 115.530 115.530 113.998 1.532 18281 11142 1 14 . 1 1 80 80 HIS C C 80 173.450 173.450 172.999 0.451 18281 11143 1 14 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.712 -0.182 18281 11144 1 14 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.367 0.833 18281 11145 1 14 . 1 1 80 80 HIS H H 80 6.980 6.980 7.233 -0.253 18281 11146 1 14 . 1 1 81 81 THR N N 81 109.600 109.600 113.494 -3.894 18281 11147 1 14 . 1 1 81 81 THR HA H 81 5.730 5.730 5.135 0.595 18281 11148 1 14 . 1 1 81 81 THR C C 81 172.980 172.980 172.721 0.259 18281 11149 1 14 . 1 1 81 81 THR CA C 81 60.190 60.190 62.013 -1.823 18281 11150 1 14 . 1 1 81 81 THR CB C 81 71.740 71.740 72.021 -0.281 18281 11151 1 14 . 1 1 81 81 THR H H 81 7.990 7.990 7.667 0.323 18281 11152 1 14 . 1 1 82 82 TYR N N 82 125.000 125.000 128.599 -3.599 18281 11153 1 14 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.090 0.610 18281 11154 1 14 . 1 1 82 82 TYR C C 82 173.600 173.600 173.296 0.304 18281 11155 1 14 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.755 -1.425 18281 11156 1 14 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.322 0.488 18281 11157 1 14 . 1 1 82 82 TYR H H 82 9.300 9.300 9.557 -0.257 18281 11158 1 14 . 1 1 83 83 SER N N 83 121.820 121.820 122.839 -1.019 18281 11159 1 14 . 1 1 83 83 SER HA H 83 5.670 5.670 5.218 0.452 18281 11160 1 14 . 1 1 83 83 SER C C 83 173.490 173.490 172.936 0.554 18281 11161 1 14 . 1 1 83 83 SER CA C 83 56.420 56.420 57.004 -0.584 18281 11162 1 14 . 1 1 83 83 SER CB C 83 65.520 65.520 66.024 -0.504 18281 11163 1 14 . 1 1 83 83 SER H H 83 9.090 9.090 8.156 0.934 18281 11164 1 14 . 1 1 84 84 TYR N N 84 122.970 122.970 119.768 3.202 18281 11165 1 14 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.440 -0.210 18281 11166 1 14 . 1 1 84 84 TYR C C 84 172.530 172.530 173.389 -0.859 18281 11167 1 14 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.669 -0.249 18281 11168 1 14 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.400 -0.450 18281 11169 1 14 . 1 1 84 84 TYR H H 84 8.790 8.790 9.171 -0.381 18281 11170 1 14 . 1 1 85 85 SER N N 85 114.200 114.200 113.250 0.950 18281 11171 1 14 . 1 1 85 85 SER HA H 85 5.700 5.700 5.359 0.341 18281 11172 1 14 . 1 1 85 85 SER C C 85 173.180 173.180 172.714 0.466 18281 11173 1 14 . 1 1 85 85 SER CA C 85 57.510 57.510 56.866 0.644 18281 11174 1 14 . 1 1 85 85 SER CB C 85 65.940 65.940 67.153 -1.213 18281 11175 1 14 . 1 1 85 85 SER H H 85 9.350 9.350 9.544 -0.194 18281 11176 1 14 . 1 1 86 86 LEU N N 86 128.880 128.880 123.515 5.365 18281 11177 1 14 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.988 0.242 18281 11178 1 14 . 1 1 86 86 LEU C C 86 176.230 176.230 177.039 -0.809 18281 11179 1 14 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.897 1.693 18281 11180 1 14 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.541 0.609 18281 11181 1 14 . 1 1 86 86 LEU H H 86 9.900 9.900 8.909 0.991 18281 11182 1 14 . 1 1 87 87 ILE N N 87 115.900 115.900 127.690 -11.790 18281 11183 1 14 . 1 1 87 87 ILE HA H 87 4.930 4.930 3.954 0.976 18281 11184 1 14 . 1 1 87 87 ILE C C 87 176.080 176.080 176.223 -0.143 18281 11185 1 14 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.621 -3.351 18281 11186 1 14 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.734 1.096 18281 11187 1 14 . 1 1 87 87 ILE H H 87 8.180 8.180 8.583 -0.403 18281 11188 1 14 . 1 1 88 88 GLU N N 88 121.920 121.920 115.871 6.049 18281 11189 1 14 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.528 -0.018 18281 11190 1 14 . 1 1 88 88 GLU C C 88 174.020 174.020 174.490 -0.470 18281 11191 1 14 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.797 2.243 18281 11192 1 14 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.573 1.397 18281 11193 1 14 . 1 1 88 88 GLU H H 88 7.650 7.650 7.411 0.239 18281 11194 1 14 . 1 1 89 89 GLY N N 89 111.650 111.650 107.091 4.559 18281 11195 1 14 . 1 1 89 89 GLY C C 89 173.800 173.800 173.373 0.427 18281 11196 1 14 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.781 0.169 18281 11197 1 14 . 1 1 89 89 GLY H H 89 8.830 8.830 8.237 0.593 18281 11198 1 14 . 1 1 90 90 ASP N N 90 119.650 119.650 122.337 -2.687 18281 11199 1 14 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.333 0.027 18281 11200 1 14 . 1 1 90 90 ASP C C 90 176.570 176.570 178.018 -1.448 18281 11201 1 14 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.632 0.408 18281 11202 1 14 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.808 0.472 18281 11203 1 14 . 1 1 90 90 ASP H H 90 8.430 8.430 8.469 -0.039 18281 11204 1 14 . 1 1 91 91 ALA N N 91 118.530 118.530 119.647 -1.117 18281 11205 1 14 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.226 0.014 18281 11206 1 14 . 1 1 91 91 ALA C C 91 177.740 177.740 178.728 -0.988 18281 11207 1 14 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.075 -0.865 18281 11208 1 14 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.640 0.670 18281 11209 1 14 . 1 1 91 91 ALA H H 91 7.810 7.810 8.392 -0.582 18281 11210 1 14 . 1 1 92 92 LEU N N 92 117.330 117.330 117.175 0.155 18281 11211 1 14 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.199 0.261 18281 11212 1 14 . 1 1 92 92 LEU C C 92 176.210 176.210 177.402 -1.192 18281 11213 1 14 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.330 -1.310 18281 11214 1 14 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.117 -1.907 18281 11215 1 14 . 1 1 92 92 LEU H H 92 7.600 7.600 7.474 0.126 18281 11216 1 14 . 1 1 93 93 SER N N 93 115.780 115.780 111.799 3.981 18281 11217 1 14 . 1 1 93 93 SER HA H 93 4.620 4.620 4.046 0.574 18281 11218 1 14 . 1 1 93 93 SER C C 93 173.970 173.970 173.784 0.186 18281 11219 1 14 . 1 1 93 93 SER CA C 93 57.730 57.730 60.223 -2.493 18281 11220 1 14 . 1 1 93 93 SER CB C 93 64.920 64.920 63.268 1.652 18281 11221 1 14 . 1 1 93 93 SER H H 93 7.910 7.910 7.826 0.084 18281 11222 1 14 . 1 1 94 94 GLU N N 94 119.400 119.400 118.549 0.851 18281 11223 1 14 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.117 0.043 18281 11224 1 14 . 1 1 94 94 GLU C C 94 176.570 176.570 176.496 0.074 18281 11225 1 14 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.450 1.250 18281 11226 1 14 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.684 -0.474 18281 11227 1 14 . 1 1 94 94 GLU H H 94 8.850 8.850 8.607 0.243 18281 11228 1 14 . 1 1 95 95 ASN N N 95 113.460 113.460 116.307 -2.847 18281 11229 1 14 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.746 0.054 18281 11230 1 14 . 1 1 95 95 ASN C C 95 174.070 174.070 175.171 -1.101 18281 11231 1 14 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.384 -0.264 18281 11232 1 14 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.629 -0.279 18281 11233 1 14 . 1 1 95 95 ASN H H 95 8.290 8.290 7.596 0.694 18281 11234 1 14 . 1 1 96 96 ILE N N 96 120.610 120.610 120.731 -0.121 18281 11235 1 14 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.103 0.087 18281 11236 1 14 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.984 -1.054 18281 11237 1 14 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.362 0.508 18281 11238 1 14 . 1 1 96 96 ILE H H 96 7.770 7.770 8.258 -0.488 18281 11239 1 14 . 1 1 97 97 GLU N N 97 126.670 126.670 126.668 0.002 18281 11240 1 14 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.559 0.231 18281 11241 1 14 . 1 1 97 97 GLU CA C 97 56.200 56.200 54.230 1.970 18281 11242 1 14 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.893 2.057 18281 11243 1 14 . 1 1 97 97 GLU H H 97 8.460 8.460 9.019 -0.559 18281 11244 1 14 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.455 0.255 18281 11245 1 14 . 1 1 98 98 LYS C C 98 173.650 173.650 176.591 -2.941 18281 11246 1 14 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.684 -1.714 18281 11247 1 14 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.194 1.606 18281 11248 1 14 . 1 1 99 99 ILE N N 99 120.290 120.290 121.649 -1.359 18281 11249 1 14 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.268 0.522 18281 11250 1 14 . 1 1 99 99 ILE C C 99 174.690 174.690 174.760 -0.070 18281 11251 1 14 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.554 0.746 18281 11252 1 14 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.685 0.865 18281 11253 1 14 . 1 1 99 99 ILE H H 99 7.720 7.720 8.030 -0.310 18281 11254 1 14 . 1 1 100 100 ASP N N 100 126.970 126.970 126.023 0.947 18281 11255 1 14 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.793 0.307 18281 11256 1 14 . 1 1 100 100 ASP C C 100 174.490 174.490 174.446 0.044 18281 11257 1 14 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.911 -0.281 18281 11258 1 14 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.529 1.321 18281 11259 1 14 . 1 1 100 100 ASP H H 100 9.220 9.220 8.393 0.827 18281 11260 1 14 . 1 1 101 101 TYR N N 101 120.640 120.640 122.848 -2.208 18281 11261 1 14 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.832 0.448 18281 11262 1 14 . 1 1 101 101 TYR C C 101 175.740 175.740 175.014 0.726 18281 11263 1 14 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.528 0.452 18281 11264 1 14 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.336 0.304 18281 11265 1 14 . 1 1 101 101 TYR H H 101 9.140 9.140 9.160 -0.020 18281 11266 1 14 . 1 1 102 102 GLU N N 102 122.040 122.040 122.064 -0.024 18281 11267 1 14 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.896 0.234 18281 11268 1 14 . 1 1 102 102 GLU C C 102 175.360 175.360 175.630 -0.270 18281 11269 1 14 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.309 0.560 18281 11270 1 14 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.223 -1.153 18281 11271 1 14 . 1 1 102 102 GLU H H 102 8.670 8.670 9.537 -0.867 18281 11272 1 14 . 1 1 103 103 THR N N 103 125.840 125.840 120.242 5.598 18281 11273 1 14 . 1 1 103 103 THR HA H 103 5.580 5.580 4.901 0.679 18281 11274 1 14 . 1 1 103 103 THR C C 103 172.780 172.780 172.898 -0.118 18281 11275 1 14 . 1 1 103 103 THR CA C 103 62.150 62.150 61.618 0.532 18281 11276 1 14 . 1 1 103 103 THR CB C 103 71.750 71.750 71.472 0.278 18281 11277 1 14 . 1 1 103 103 THR H H 103 9.550 9.550 9.357 0.193 18281 11278 1 14 . 1 1 104 104 LYS N N 104 126.990 126.990 127.257 -0.267 18281 11279 1 14 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.852 0.388 18281 11280 1 14 . 1 1 104 104 LYS C C 104 174.300 174.300 174.097 0.203 18281 11281 1 14 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.343 -0.013 18281 11282 1 14 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.138 -0.198 18281 11283 1 14 . 1 1 104 104 LYS H H 104 9.430 9.430 9.032 0.398 18281 11284 1 14 . 1 1 105 105 LEU N N 105 124.700 124.700 126.705 -2.005 18281 11285 1 14 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.657 0.553 18281 11286 1 14 . 1 1 105 105 LEU C C 105 175.780 175.780 176.181 -0.401 18281 11287 1 14 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.739 0.881 18281 11288 1 14 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.743 0.207 18281 11289 1 14 . 1 1 105 105 LEU H H 105 8.410 8.410 8.345 0.065 18281 11290 1 14 . 1 1 106 106 VAL N N 106 123.290 123.290 122.508 0.782 18281 11291 1 14 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.332 0.097 18281 11292 1 14 . 1 1 106 106 VAL C C 106 175.560 175.560 174.527 1.033 18281 11293 1 14 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.642 -0.172 18281 11294 1 14 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.885 -0.865 18281 11295 1 14 . 1 1 106 106 VAL H H 106 9.180 9.180 9.114 0.066 18281 11296 1 14 . 1 1 107 107 SER N N 107 121.800 121.800 119.285 2.515 18281 11297 1 14 . 1 1 107 107 SER HA H 107 4.660 4.660 4.646 0.014 18281 11298 1 14 . 1 1 107 107 SER C C 107 173.600 173.600 173.580 0.020 18281 11299 1 14 . 1 1 107 107 SER CA C 107 59.860 59.860 56.611 3.249 18281 11300 1 14 . 1 1 107 107 SER CB C 107 63.250 63.250 64.707 -1.457 18281 11301 1 14 . 1 1 107 107 SER H H 107 8.910 8.910 8.244 0.666 18281 11302 1 14 . 1 1 108 108 ALA N N 108 129.210 129.210 126.162 3.048 18281 11303 1 14 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.930 -0.300 18281 11304 1 14 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.620 1.000 18281 11305 1 14 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.894 -0.094 18281 11306 1 14 . 1 1 108 108 ALA H H 108 8.310 8.310 8.373 -0.063 18281 11307 1 14 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.249 0.171 18281 11308 1 14 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.575 -0.875 18281 11309 1 14 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.517 0.683 18281 11310 1 14 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.441 0.329 18281 11311 1 14 . 1 1 110 110 HIS C C 110 175.760 175.760 176.334 -0.574 18281 11312 1 14 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.581 -1.190 18281 11313 1 14 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.842 -0.432 18281 11314 1 14 . 1 1 111 111 GLY N N 111 108.720 108.720 107.471 1.249 18281 11315 1 14 . 1 1 111 111 GLY C C 111 174.390 174.390 174.016 0.374 18281 11316 1 14 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.263 -0.133 18281 11317 1 14 . 1 1 111 111 GLY H H 111 7.730 7.730 7.890 -0.160 18281 11318 1 14 . 1 1 112 112 GLY N N 112 107.670 107.670 109.197 -1.527 18281 11319 1 14 . 1 1 112 112 GLY C C 112 174.150 174.150 172.931 1.219 18281 11320 1 14 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.280 0.140 18281 11321 1 14 . 1 1 112 112 GLY H H 112 7.600 7.600 8.010 -0.410 18281 11322 1 14 . 1 1 113 113 THR N N 113 119.830 119.830 116.116 3.714 18281 11323 1 14 . 1 1 113 113 THR HA H 113 5.060 5.060 4.781 0.279 18281 11324 1 14 . 1 1 113 113 THR C C 113 173.250 173.250 173.605 -0.355 18281 11325 1 14 . 1 1 113 113 THR CA C 113 62.990 62.990 62.123 0.867 18281 11326 1 14 . 1 1 113 113 THR CB C 113 72.270 72.270 71.195 1.075 18281 11327 1 14 . 1 1 113 113 THR H H 113 9.070 9.070 8.031 1.039 18281 11328 1 14 . 1 1 114 114 ILE N N 114 127.600 127.600 126.887 0.713 18281 11329 1 14 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.304 0.206 18281 11330 1 14 . 1 1 114 114 ILE C C 114 174.370 174.370 174.579 -0.209 18281 11331 1 14 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.353 -0.193 18281 11332 1 14 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.225 0.745 18281 11333 1 14 . 1 1 114 114 ILE H H 114 9.490 9.490 8.958 0.532 18281 11334 1 14 . 1 1 115 115 ILE N N 115 129.200 129.200 126.924 2.276 18281 11335 1 14 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.820 -0.320 18281 11336 1 14 . 1 1 115 115 ILE C C 115 175.000 175.000 174.738 0.262 18281 11337 1 14 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.102 1.298 18281 11338 1 14 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.288 -2.288 18281 11339 1 14 . 1 1 115 115 ILE H H 115 9.220 9.220 9.388 -0.168 18281 11340 1 14 . 1 1 116 116 LYS N N 116 127.550 127.550 128.111 -0.561 18281 11341 1 14 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.463 -0.293 18281 11342 1 14 . 1 1 116 116 LYS C C 116 176.300 176.300 175.574 0.726 18281 11343 1 14 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.672 0.698 18281 11344 1 14 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.441 -0.861 18281 11345 1 14 . 1 1 116 116 LYS H H 116 9.130 9.130 8.958 0.172 18281 11346 1 14 . 1 1 117 117 THR N N 117 120.940 120.940 121.621 -0.681 18281 11347 1 14 . 1 1 117 117 THR HA H 117 5.730 5.730 5.248 0.482 18281 11348 1 14 . 1 1 117 117 THR C C 117 174.620 174.620 173.691 0.929 18281 11349 1 14 . 1 1 117 117 THR CA C 117 60.990 60.990 61.383 -0.393 18281 11350 1 14 . 1 1 117 117 THR CB C 117 71.750 71.750 71.410 0.340 18281 11351 1 14 . 1 1 117 117 THR H H 117 9.020 9.020 8.741 0.279 18281 11352 1 14 . 1 1 118 118 THR N N 118 125.750 125.750 123.768 1.982 18281 11353 1 14 . 1 1 118 118 THR HA H 118 5.170 5.170 5.256 -0.086 18281 11354 1 14 . 1 1 118 118 THR C C 118 173.760 173.760 172.853 0.907 18281 11355 1 14 . 1 1 118 118 THR CA C 118 61.800 61.800 61.547 0.253 18281 11356 1 14 . 1 1 118 118 THR CB C 118 70.720 70.720 71.273 -0.553 18281 11357 1 14 . 1 1 118 118 THR H H 118 9.500 9.500 9.070 0.430 18281 11358 1 14 . 1 1 119 119 SER N N 119 122.250 122.250 119.063 3.187 18281 11359 1 14 . 1 1 119 119 SER HA H 119 5.270 5.270 5.393 -0.123 18281 11360 1 14 . 1 1 119 119 SER C C 119 172.960 172.960 171.882 1.078 18281 11361 1 14 . 1 1 119 119 SER CA C 119 55.860 55.860 56.670 -0.810 18281 11362 1 14 . 1 1 119 119 SER CB C 119 66.720 66.720 65.799 0.921 18281 11363 1 14 . 1 1 119 119 SER H H 119 9.410 9.410 8.670 0.740 18281 11364 1 14 . 1 1 120 120 LYS N N 120 124.120 124.120 124.961 -0.841 18281 11365 1 14 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.608 0.632 18281 11366 1 14 . 1 1 120 120 LYS C C 120 174.780 174.780 173.951 0.829 18281 11367 1 14 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.093 -0.263 18281 11368 1 14 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.082 0.078 18281 11369 1 14 . 1 1 120 120 LYS H H 120 9.150 9.150 8.387 0.763 18281 11370 1 14 . 1 1 121 121 TYR N N 121 126.500 126.500 124.313 2.187 18281 11371 1 14 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.329 0.671 18281 11372 1 14 . 1 1 121 121 TYR CB C 121 40.200 40.200 39.985 0.215 18281 11373 1 14 . 1 1 121 121 TYR H H 121 9.800 9.800 8.943 0.857 18281 11374 1 14 . 1 1 122 122 HIS C C 122 174.670 174.670 174.787 -0.117 18281 11375 1 14 . 1 1 123 123 THR N N 123 125.750 125.750 111.932 13.818 18281 11376 1 14 . 1 1 123 123 THR HA H 123 5.400 5.400 4.979 0.421 18281 11377 1 14 . 1 1 123 123 THR C C 123 174.460 174.460 174.696 -0.236 18281 11378 1 14 . 1 1 123 123 THR CA C 123 60.230 60.230 59.258 0.972 18281 11379 1 14 . 1 1 123 123 THR CB C 123 71.260 71.260 72.275 -1.015 18281 11380 1 14 . 1 1 123 123 THR H H 123 8.920 8.920 8.316 0.604 18281 11381 1 14 . 1 1 124 124 LYS N N 124 121.170 121.170 121.732 -0.562 18281 11382 1 14 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.088 0.672 18281 11383 1 14 . 1 1 124 124 LYS C C 124 176.450 176.450 176.963 -0.513 18281 11384 1 14 . 1 1 124 124 LYS CA C 124 55.510 55.510 59.142 -3.632 18281 11385 1 14 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.586 1.314 18281 11386 1 14 . 1 1 124 124 LYS H H 124 8.590 8.590 8.370 0.220 18281 11387 1 14 . 1 1 125 125 GLY N N 125 110.070 110.070 105.257 4.813 18281 11388 1 14 . 1 1 125 125 GLY C C 125 173.620 173.620 173.216 0.404 18281 11389 1 14 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.299 -0.029 18281 11390 1 14 . 1 1 125 125 GLY H H 125 8.390 8.390 8.173 0.217 18281 11391 1 14 . 1 1 126 126 ASP N N 126 120.070 120.070 120.181 -0.111 18281 11392 1 14 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.752 -0.082 18281 11393 1 14 . 1 1 126 126 ASP C C 126 175.580 175.580 176.469 -0.889 18281 11394 1 14 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.926 0.364 18281 11395 1 14 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.127 0.233 18281 11396 1 14 . 1 1 126 126 ASP H H 126 8.440 8.440 8.127 0.313 18281 11397 1 14 . 1 1 127 127 VAL N N 127 119.620 119.620 120.511 -0.891 18281 11398 1 14 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.902 0.338 18281 11399 1 14 . 1 1 127 127 VAL C C 127 174.610 174.610 176.177 -1.567 18281 11400 1 14 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.597 -2.367 18281 11401 1 14 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.105 2.145 18281 11402 1 14 . 1 1 127 127 VAL H H 127 7.620 7.620 8.235 -0.615 18281 11403 1 14 . 1 1 128 128 GLU N N 128 125.030 125.030 117.423 7.607 18281 11404 1 14 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.100 0.030 18281 11405 1 14 . 1 1 128 128 GLU C C 128 175.680 175.680 174.732 0.948 18281 11406 1 14 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.939 -1.399 18281 11407 1 14 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.069 0.721 18281 11408 1 14 . 1 1 128 128 GLU H H 128 8.330 8.330 8.040 0.290 18281 11409 1 14 . 1 1 129 129 ILE N N 129 124.070 124.070 124.104 -0.034 18281 11410 1 14 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.387 -0.427 18281 11411 1 14 . 1 1 129 129 ILE C C 129 175.960 175.960 174.163 1.797 18281 11412 1 14 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.648 -0.298 18281 11413 1 14 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.837 -4.157 18281 11414 1 14 . 1 1 129 129 ILE H H 129 7.380 7.380 8.060 -0.680 18281 11415 1 14 . 1 1 130 130 LYS N N 130 127.800 127.800 123.192 4.608 18281 11416 1 14 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.530 -0.250 18281 11417 1 14 . 1 1 130 130 LYS C C 130 177.660 177.660 176.721 0.939 18281 11418 1 14 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.506 0.344 18281 11419 1 14 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.104 -0.294 18281 11420 1 14 . 1 1 130 130 LYS H H 130 8.790 8.790 8.457 0.333 18281 11421 1 14 . 1 1 131 131 GLU N N 131 125.060 125.060 126.591 -1.531 18281 11422 1 14 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.863 -0.053 18281 11423 1 14 . 1 1 131 131 GLU C C 131 178.630 178.630 178.266 0.364 18281 11424 1 14 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.176 -0.666 18281 11425 1 14 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.755 -0.455 18281 11426 1 14 . 1 1 131 131 GLU H H 131 8.880 8.880 9.204 -0.324 18281 11427 1 14 . 1 1 132 132 GLU N N 132 117.220 117.220 117.111 0.109 18281 11428 1 14 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.012 -0.032 18281 11429 1 14 . 1 1 132 132 GLU C C 132 178.630 178.630 178.829 -0.199 18281 11430 1 14 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.169 0.441 18281 11431 1 14 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.171 -0.191 18281 11432 1 14 . 1 1 132 132 GLU H H 132 9.200 9.200 8.943 0.257 18281 11433 1 14 . 1 1 133 133 HIS N N 133 119.810 119.810 119.960 -0.150 18281 11434 1 14 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.318 0.152 18281 11435 1 14 . 1 1 133 133 HIS C C 133 178.430 178.430 177.430 1.000 18281 11436 1 14 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.523 -0.393 18281 11437 1 14 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.688 1.632 18281 11438 1 14 . 1 1 133 133 HIS H H 133 7.500 7.500 7.701 -0.201 18281 11439 1 14 . 1 1 134 134 VAL N N 134 120.370 120.370 119.317 1.053 18281 11440 1 14 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.434 0.216 18281 11441 1 14 . 1 1 134 134 VAL C C 134 179.170 179.170 177.631 1.539 18281 11442 1 14 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.965 -0.785 18281 11443 1 14 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.889 0.821 18281 11444 1 14 . 1 1 134 134 VAL H H 134 7.290 7.290 7.955 -0.665 18281 11445 1 14 . 1 1 135 135 LYS N N 135 121.310 121.310 120.360 0.950 18281 11446 1 14 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.818 0.142 18281 11447 1 14 . 1 1 135 135 LYS C C 135 178.310 178.310 178.475 -0.165 18281 11448 1 14 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.756 -0.426 18281 11449 1 14 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.307 -0.127 18281 11450 1 14 . 1 1 135 135 LYS H H 135 8.310 8.310 8.349 -0.039 18281 11451 1 14 . 1 1 136 136 ALA N N 136 121.150 121.150 120.480 0.670 18281 11452 1 14 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.080 0.150 18281 11453 1 14 . 1 1 136 136 ALA C C 136 180.930 180.930 179.476 1.454 18281 11454 1 14 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.959 0.061 18281 11455 1 14 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.160 -0.410 18281 11456 1 14 . 1 1 136 136 ALA H H 136 7.950 7.950 7.941 0.009 18281 11457 1 14 . 1 1 137 137 GLY N N 137 105.640 105.640 106.430 -0.790 18281 11458 1 14 . 1 1 137 137 GLY C C 137 177.000 177.000 176.376 0.624 18281 11459 1 14 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.097 0.063 18281 11460 1 14 . 1 1 137 137 GLY H H 137 7.930 7.930 7.665 0.265 18281 11461 1 14 . 1 1 138 138 LYS N N 138 124.210 124.210 121.554 2.656 18281 11462 1 14 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.096 0.134 18281 11463 1 14 . 1 1 138 138 LYS C C 138 178.860 178.860 179.221 -0.361 18281 11464 1 14 . 1 1 138 138 LYS CA C 138 59.790 59.790 58.923 0.867 18281 11465 1 14 . 1 1 138 138 LYS CB C 138 32.670 32.670 31.786 0.884 18281 11466 1 14 . 1 1 138 138 LYS H H 138 7.960 7.960 7.750 0.210 18281 11467 1 14 . 1 1 139 139 GLU N N 139 119.720 119.720 119.885 -0.165 18281 11468 1 14 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.861 0.279 18281 11469 1 14 . 1 1 139 139 GLU C C 139 179.710 179.710 179.031 0.679 18281 11470 1 14 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.572 -0.392 18281 11471 1 14 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.410 -0.110 18281 11472 1 14 . 1 1 139 139 GLU H H 139 8.370 8.370 8.155 0.215 18281 11473 1 14 . 1 1 140 140 LYS N N 140 120.270 120.270 119.519 0.751 18281 11474 1 14 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.159 -0.049 18281 11475 1 14 . 1 1 140 140 LYS C C 140 179.210 179.210 179.076 0.134 18281 11476 1 14 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.983 -0.373 18281 11477 1 14 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.283 0.097 18281 11478 1 14 . 1 1 140 140 LYS H H 140 8.140 8.140 8.175 -0.035 18281 11479 1 14 . 1 1 141 141 ALA N N 141 121.910 121.910 121.350 0.560 18281 11480 1 14 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.180 -0.140 18281 11481 1 14 . 1 1 141 141 ALA C C 141 179.530 179.530 179.577 -0.047 18281 11482 1 14 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.986 0.034 18281 11483 1 14 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.119 0.261 18281 11484 1 14 . 1 1 141 141 ALA H H 141 7.730 7.730 7.741 -0.011 18281 11485 1 14 . 1 1 142 142 ALA N N 142 120.440 120.440 121.440 -1.000 18281 11486 1 14 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.777 0.103 18281 11487 1 14 . 1 1 142 142 ALA C C 142 180.080 180.080 179.155 0.925 18281 11488 1 14 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.929 -0.029 18281 11489 1 14 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.151 0.078 18281 11490 1 14 . 1 1 142 142 ALA H H 142 8.280 8.280 7.870 0.410 18281 11491 1 14 . 1 1 143 143 HIS N N 143 118.280 118.280 118.129 0.151 18281 11492 1 14 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.238 0.112 18281 11493 1 14 . 1 1 143 143 HIS C C 143 177.350 177.350 178.109 -0.759 18281 11494 1 14 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.961 -0.531 18281 11495 1 14 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.573 1.177 18281 11496 1 14 . 1 1 143 143 HIS H H 143 8.030 8.030 8.190 -0.160 18281 11497 1 14 . 1 1 144 144 LEU N N 144 118.820 118.820 119.497 -0.677 18281 11498 1 14 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.973 -0.063 18281 11499 1 14 . 1 1 144 144 LEU C C 144 179.040 179.040 178.879 0.161 18281 11500 1 14 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.695 0.385 18281 11501 1 14 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.748 -0.788 18281 11502 1 14 . 1 1 144 144 LEU H H 144 7.700 7.700 8.079 -0.379 18281 11503 1 14 . 1 1 145 145 PHE N N 145 116.920 116.920 119.571 -2.651 18281 11504 1 14 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.998 0.002 18281 11505 1 14 . 1 1 145 145 PHE C C 145 177.900 177.900 177.283 0.617 18281 11506 1 14 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.889 0.261 18281 11507 1 14 . 1 1 145 145 PHE CB C 145 37.750 37.750 39.017 -1.266 18281 11508 1 14 . 1 1 145 145 PHE H H 145 8.100 8.100 8.456 -0.356 18281 11509 1 14 . 1 1 146 146 LYS N N 146 119.710 119.710 119.802 -0.092 18281 11510 1 14 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.933 0.197 18281 11511 1 14 . 1 1 146 146 LYS C C 146 177.750 177.750 178.609 -0.859 18281 11512 1 14 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.837 -0.937 18281 11513 1 14 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.348 -0.068 18281 11514 1 14 . 1 1 146 146 LYS H H 146 8.040 8.040 8.375 -0.335 18281 11515 1 14 . 1 1 147 147 LEU N N 147 118.970 118.970 119.200 -0.230 18281 11516 1 14 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.975 0.025 18281 11517 1 14 . 1 1 147 147 LEU C C 147 180.460 180.460 179.203 1.257 18281 11518 1 14 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.575 -0.104 18281 11519 1 14 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.689 0.711 18281 11520 1 14 . 1 1 147 147 LEU H H 147 7.960 7.960 7.368 0.592 18281 11521 1 14 . 1 1 148 148 ILE N N 148 121.410 121.410 119.148 2.262 18281 11522 1 14 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.438 0.102 18281 11523 1 14 . 1 1 148 148 ILE C C 148 177.030 177.030 177.878 -0.848 18281 11524 1 14 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.622 -0.222 18281 11525 1 14 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.195 0.495 18281 11526 1 14 . 1 1 148 148 ILE H H 148 8.200 8.200 7.565 0.635 18281 11527 1 14 . 1 1 149 149 GLU N N 149 120.450 120.450 119.990 0.460 18281 11528 1 14 . 1 1 149 149 GLU HA H 149 3.680 3.680 3.855 -0.175 18281 11529 1 14 . 1 1 149 149 GLU C C 149 178.540 178.540 179.399 -0.859 18281 11530 1 14 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.659 0.661 18281 11531 1 14 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.475 -0.645 18281 11532 1 14 . 1 1 149 149 GLU H H 149 8.680 8.680 7.706 0.974 18281 11533 1 14 . 1 1 150 150 GLY N N 150 104.450 104.450 106.232 -1.782 18281 11534 1 14 . 1 1 150 150 GLY C C 150 175.670 175.670 175.848 -0.178 18281 11535 1 14 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.296 0.954 18281 11536 1 14 . 1 1 150 150 GLY H H 150 8.180 8.180 7.997 0.183 18281 11537 1 14 . 1 1 151 151 TYR N N 151 122.120 122.120 124.462 -2.342 18281 11538 1 14 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.171 0.209 18281 11539 1 14 . 1 1 151 151 TYR C C 151 179.360 179.360 177.382 1.978 18281 11540 1 14 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.015 0.305 18281 11541 1 14 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.798 -2.408 18281 11542 1 14 . 1 1 151 151 TYR H H 151 7.910 7.910 8.401 -0.491 18281 11543 1 14 . 1 1 152 152 LEU N N 152 120.020 120.020 118.872 1.148 18281 11544 1 14 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.087 -0.057 18281 11545 1 14 . 1 1 152 152 LEU C C 152 180.320 180.320 178.724 1.596 18281 11546 1 14 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.877 -0.117 18281 11547 1 14 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.900 -0.900 18281 11548 1 14 . 1 1 152 152 LEU H H 152 8.630 8.630 8.075 0.555 18281 11549 1 14 . 1 1 153 153 LYS N N 153 119.730 119.730 119.371 0.359 18281 11550 1 14 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.980 -0.010 18281 11551 1 14 . 1 1 153 153 LYS C C 153 178.150 178.150 177.999 0.151 18281 11552 1 14 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.156 0.244 18281 11553 1 14 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.599 -0.249 18281 11554 1 14 . 1 1 153 153 LYS H H 153 8.260 8.260 7.795 0.465 18281 11555 1 14 . 1 1 154 154 ASP N N 154 117.020 117.020 116.060 0.960 18281 11556 1 14 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.588 -0.588 18281 11557 1 14 . 1 1 154 154 ASP C C 154 175.660 175.660 176.285 -0.625 18281 11558 1 14 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.377 -0.347 18281 11559 1 14 . 1 1 154 154 ASP H H 154 7.560 7.560 7.788 -0.228 18281 11560 1 14 . 1 1 155 155 HIS N N 155 117.160 117.160 119.531 -2.371 18281 11561 1 14 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.128 0.772 18281 11562 1 14 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.010 -0.859 18281 11563 1 14 . 1 1 155 155 HIS CB C 155 27.990 27.990 28.899 -0.909 18281 11564 1 14 . 1 1 155 155 HIS H H 155 7.430 7.430 7.657 -0.227 18281 11565 1 15 . 1 1 3 3 VAL N N 3 119.910 119.910 121.836 -1.926 18281 11566 1 15 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.247 0.673 18281 11567 1 15 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.305 -0.285 18281 11568 1 15 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.234 0.896 18281 11569 1 15 . 1 1 3 3 VAL H H 3 7.630 7.630 7.894 -0.264 18281 11570 1 15 . 1 1 4 4 TYR N N 4 119.930 119.930 123.919 -3.989 18281 11571 1 15 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.802 -0.132 18281 11572 1 15 . 1 1 4 4 TYR C C 4 174.670 174.670 175.545 -0.875 18281 11573 1 15 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.996 0.474 18281 11574 1 15 . 1 1 4 4 TYR CB C 4 41.270 41.270 41.225 0.045 18281 11575 1 15 . 1 1 4 4 TYR H H 4 8.660 8.660 8.380 0.280 18281 11576 1 15 . 1 1 5 5 THR N N 5 119.930 119.930 118.029 1.901 18281 11577 1 15 . 1 1 5 5 THR HA H 5 5.290 5.290 4.812 0.478 18281 11578 1 15 . 1 1 5 5 THR C C 5 173.180 173.180 173.450 -0.270 18281 11579 1 15 . 1 1 5 5 THR CA C 5 61.780 61.780 62.063 -0.283 18281 11580 1 15 . 1 1 5 5 THR CB C 5 70.360 70.360 69.839 0.521 18281 11581 1 15 . 1 1 5 5 THR H H 5 8.230 8.230 8.482 -0.252 18281 11582 1 15 . 1 1 6 6 TYR N N 6 125.060 125.060 127.232 -2.172 18281 11583 1 15 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.805 0.485 18281 11584 1 15 . 1 1 6 6 TYR C C 6 174.380 174.380 173.230 1.150 18281 11585 1 15 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.892 0.218 18281 11586 1 15 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.284 -0.434 18281 11587 1 15 . 1 1 6 6 TYR H H 6 9.210 9.210 8.584 0.626 18281 11588 1 15 . 1 1 7 7 GLU N N 7 122.360 122.360 127.802 -5.442 18281 11589 1 15 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.889 0.471 18281 11590 1 15 . 1 1 7 7 GLU C C 7 175.390 175.390 174.280 1.110 18281 11591 1 15 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.258 0.723 18281 11592 1 15 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.294 0.756 18281 11593 1 15 . 1 1 7 7 GLU H H 7 8.830 8.830 8.084 0.746 18281 11594 1 15 . 1 1 8 8 ASN N N 8 119.960 119.960 124.261 -4.301 18281 11595 1 15 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.016 0.084 18281 11596 1 15 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.342 0.278 18281 11597 1 15 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.836 1.374 18281 11598 1 15 . 1 1 8 8 ASN H H 8 8.800 8.800 9.202 -0.402 18281 11599 1 15 . 1 1 9 9 GLU N N 9 121.420 121.420 126.029 -4.609 18281 11600 1 15 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.891 0.709 18281 11601 1 15 . 1 1 9 9 GLU C C 9 174.590 174.590 175.066 -0.476 18281 11602 1 15 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.450 -0.680 18281 11603 1 15 . 1 1 9 9 GLU CB C 9 33.750 33.750 30.729 3.021 18281 11604 1 15 . 1 1 9 9 GLU H H 9 8.330 8.330 8.789 -0.459 18281 11605 1 15 . 1 1 10 10 PHE N N 10 121.240 121.240 126.349 -5.109 18281 11606 1 15 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.871 0.149 18281 11607 1 15 . 1 1 10 10 PHE C C 10 173.880 173.880 173.592 0.288 18281 11608 1 15 . 1 1 10 10 PHE CA C 10 55.550 55.550 56.820 -1.270 18281 11609 1 15 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.010 -1.540 18281 11610 1 15 . 1 1 10 10 PHE H H 10 8.760 8.760 9.249 -0.489 18281 11611 1 15 . 1 1 11 11 THR N N 11 113.110 113.110 118.453 -5.343 18281 11612 1 15 . 1 1 11 11 THR HA H 11 5.170 5.170 4.805 0.365 18281 11613 1 15 . 1 1 11 11 THR C C 11 173.530 173.530 173.860 -0.330 18281 11614 1 15 . 1 1 11 11 THR CA C 11 60.940 60.940 60.679 0.261 18281 11615 1 15 . 1 1 11 11 THR CB C 11 71.260 71.260 70.380 0.880 18281 11616 1 15 . 1 1 11 11 THR H H 11 8.470 8.470 7.656 0.814 18281 11617 1 15 . 1 1 12 12 SER N N 12 115.490 115.490 120.466 -4.976 18281 11618 1 15 . 1 1 12 12 SER C C 12 173.530 173.530 172.977 0.553 18281 11619 1 15 . 1 1 12 12 SER CA C 12 56.460 56.460 56.989 -0.529 18281 11620 1 15 . 1 1 12 12 SER CB C 12 66.320 66.320 66.806 -0.486 18281 11621 1 15 . 1 1 12 12 SER H H 12 8.870 8.870 8.781 0.089 18281 11622 1 15 . 1 1 13 13 ASP N N 13 126.650 126.650 122.068 4.582 18281 11623 1 15 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.648 0.092 18281 11624 1 15 . 1 1 13 13 ASP C C 13 174.520 174.520 176.540 -2.020 18281 11625 1 15 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.806 0.224 18281 11626 1 15 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.468 -0.468 18281 11627 1 15 . 1 1 13 13 ASP H H 13 9.060 9.060 8.685 0.375 18281 11628 1 15 . 1 1 14 14 ILE N N 14 123.580 123.580 115.913 7.667 18281 11629 1 15 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.960 0.390 18281 11630 1 15 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.373 -3.983 18281 11631 1 15 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.490 -0.150 18281 11632 1 15 . 1 1 14 14 ILE H H 14 8.470 8.470 8.208 0.262 18281 11633 1 15 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.606 -0.166 18281 11634 1 15 . 1 1 15 15 PRO C C 15 177.130 177.130 177.912 -0.782 18281 11635 1 15 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.550 0.520 18281 11636 1 15 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.475 0.975 18281 11637 1 15 . 1 1 16 16 ALA N N 16 126.780 126.780 126.294 0.486 18281 11638 1 15 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.025 -0.025 18281 11639 1 15 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.079 0.021 18281 11640 1 15 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.153 0.147 18281 11641 1 15 . 1 1 16 16 ALA H H 16 8.570 8.570 8.455 0.115 18281 11642 1 15 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.445 -0.545 18281 11643 1 15 . 1 1 17 17 PRO C C 17 179.610 179.610 179.201 0.409 18281 11644 1 15 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.657 0.353 18281 11645 1 15 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.408 -0.508 18281 11646 1 15 . 1 1 18 18 LYS N N 18 116.630 116.630 118.775 -2.145 18281 11647 1 15 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.210 -0.070 18281 11648 1 15 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.501 -0.231 18281 11649 1 15 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.870 0.450 18281 11650 1 15 . 1 1 18 18 LYS H H 18 6.710 6.710 8.056 -1.346 18281 11651 1 15 . 1 1 19 19 LEU N N 19 118.930 118.930 120.520 -1.590 18281 11652 1 15 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.247 -0.407 18281 11653 1 15 . 1 1 19 19 LEU C C 19 178.380 178.380 178.113 0.267 18281 11654 1 15 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.666 0.764 18281 11655 1 15 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.829 0.261 18281 11656 1 15 . 1 1 19 19 LEU H H 19 7.950 7.950 8.309 -0.359 18281 11657 1 15 . 1 1 20 20 PHE N N 20 118.660 118.660 120.903 -2.243 18281 11658 1 15 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.118 -0.268 18281 11659 1 15 . 1 1 20 20 PHE C C 20 177.680 177.680 177.086 0.594 18281 11660 1 15 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.337 0.543 18281 11661 1 15 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.232 0.188 18281 11662 1 15 . 1 1 20 20 PHE H H 20 9.040 9.040 8.460 0.580 18281 11663 1 15 . 1 1 21 21 LYS N N 21 118.430 118.430 117.792 0.638 18281 11664 1 15 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.921 -0.151 18281 11665 1 15 . 1 1 21 21 LYS C C 21 176.400 176.400 178.561 -2.161 18281 11666 1 15 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.942 0.218 18281 11667 1 15 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.292 0.708 18281 11668 1 15 . 1 1 21 21 LYS H H 21 7.630 7.630 8.038 -0.408 18281 11669 1 15 . 1 1 22 22 ALA N N 22 118.710 118.710 120.500 -1.790 18281 11670 1 15 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.267 0.503 18281 11671 1 15 . 1 1 22 22 ALA C C 22 175.450 175.450 178.658 -3.208 18281 11672 1 15 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.267 1.273 18281 11673 1 15 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.793 1.407 18281 11674 1 15 . 1 1 22 22 ALA H H 22 7.390 7.390 7.602 -0.212 18281 11675 1 15 . 1 1 23 23 PHE N N 23 109.720 109.720 116.281 -6.561 18281 11676 1 15 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.278 -0.038 18281 11677 1 15 . 1 1 23 23 PHE C C 23 174.130 174.130 174.333 -0.203 18281 11678 1 15 . 1 1 23 23 PHE CA C 23 58.320 58.320 59.200 -0.881 18281 11679 1 15 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.642 0.798 18281 11680 1 15 . 1 1 23 23 PHE H H 23 8.400 8.400 8.136 0.264 18281 11681 1 15 . 1 1 24 24 VAL N N 24 113.250 113.250 118.344 -5.094 18281 11682 1 15 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.150 0.170 18281 11683 1 15 . 1 1 24 24 VAL C C 24 177.660 177.660 176.434 1.226 18281 11684 1 15 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.396 1.104 18281 11685 1 15 . 1 1 24 24 VAL CB C 24 30.880 30.880 31.531 -0.651 18281 11686 1 15 . 1 1 24 24 VAL H H 24 7.220 7.220 7.203 0.017 18281 11687 1 15 . 1 1 25 25 LEU N N 25 116.250 116.250 119.192 -2.942 18281 11688 1 15 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.988 -0.098 18281 11689 1 15 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.672 0.238 18281 11690 1 15 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.712 -0.712 18281 11691 1 15 . 1 1 25 25 LEU H H 25 7.180 7.180 7.586 -0.406 18281 11692 1 15 . 1 1 26 26 ASP N N 26 117.160 117.160 114.636 2.524 18281 11693 1 15 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.668 0.632 18281 11694 1 15 . 1 1 26 26 ASP C C 26 177.300 177.300 176.310 0.990 18281 11695 1 15 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.863 -0.693 18281 11696 1 15 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.221 2.699 18281 11697 1 15 . 1 1 26 26 ASP H H 26 8.070 8.070 8.025 0.045 18281 11698 1 15 . 1 1 27 27 ALA N N 27 123.040 123.040 122.978 0.062 18281 11699 1 15 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.851 -0.091 18281 11700 1 15 . 1 1 27 27 ALA C C 27 178.900 178.900 178.692 0.208 18281 11701 1 15 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.605 1.435 18281 11702 1 15 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.374 1.056 18281 11703 1 15 . 1 1 27 27 ALA H H 27 6.360 6.360 7.194 -0.834 18281 11704 1 15 . 1 1 28 28 ASP N N 28 115.060 115.060 117.383 -2.323 18281 11705 1 15 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.196 -0.216 18281 11706 1 15 . 1 1 28 28 ASP C C 28 175.850 175.850 176.608 -0.758 18281 11707 1 15 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.074 -0.534 18281 11708 1 15 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.671 -1.031 18281 11709 1 15 . 1 1 28 28 ASP H H 28 8.290 8.290 7.905 0.385 18281 11710 1 15 . 1 1 29 29 ASN N N 29 113.110 113.110 115.379 -2.269 18281 11711 1 15 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.544 0.186 18281 11712 1 15 . 1 1 29 29 ASN C C 29 176.430 176.430 176.704 -0.274 18281 11713 1 15 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.837 -1.227 18281 11714 1 15 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.113 1.147 18281 11715 1 15 . 1 1 29 29 ASN H H 29 7.360 7.360 7.848 -0.488 18281 11716 1 15 . 1 1 30 30 LEU N N 30 120.630 120.630 121.996 -1.366 18281 11717 1 15 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.967 0.053 18281 11718 1 15 . 1 1 30 30 LEU CA C 30 57.800 57.800 56.543 1.257 18281 11719 1 15 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.270 1.510 18281 11720 1 15 . 1 1 30 30 LEU H H 30 8.320 8.320 8.254 0.066 18281 11721 1 15 . 1 1 31 31 ILE N N 31 116.170 116.170 119.835 -3.665 18281 11722 1 15 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.610 0.040 18281 11723 1 15 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.581 -0.781 18281 11724 1 15 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.161 -1.251 18281 11725 1 15 . 1 1 31 31 ILE H H 31 8.140 8.140 7.576 0.564 18281 11726 1 15 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.245 0.275 18281 11727 1 15 . 1 1 32 32 PRO C C 32 177.680 177.680 177.383 0.297 18281 11728 1 15 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.720 0.800 18281 11729 1 15 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.153 0.367 18281 11730 1 15 . 1 1 33 33 LYS N N 33 112.410 112.410 117.193 -4.783 18281 11731 1 15 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.114 0.036 18281 11732 1 15 . 1 1 33 33 LYS C C 33 178.220 178.220 178.567 -0.347 18281 11733 1 15 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.521 -0.231 18281 11734 1 15 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.247 0.663 18281 11735 1 15 . 1 1 33 33 LYS H H 33 6.880 6.880 7.150 -0.270 18281 11736 1 15 . 1 1 34 34 ILE N N 34 112.260 112.260 118.056 -5.796 18281 11737 1 15 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.966 0.354 18281 11738 1 15 . 1 1 34 34 ILE C C 34 175.920 175.920 176.447 -0.527 18281 11739 1 15 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.799 -1.979 18281 11740 1 15 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.592 0.758 18281 11741 1 15 . 1 1 34 34 ILE H H 34 7.560 7.560 7.539 0.021 18281 11742 1 15 . 1 1 35 35 ALA N N 35 124.420 124.420 120.146 4.274 18281 11743 1 15 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.816 0.154 18281 11744 1 15 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.028 0.332 18281 11745 1 15 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.063 0.197 18281 11746 1 15 . 1 1 35 35 ALA H H 35 8.820 8.820 7.481 1.339 18281 11747 1 15 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.311 0.419 18281 11748 1 15 . 1 1 36 36 PRO C C 36 177.890 177.890 177.611 0.279 18281 11749 1 15 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.583 -0.343 18281 11750 1 15 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.260 -0.580 18281 11751 1 15 . 1 1 37 37 GLN N N 37 115.580 115.580 116.176 -0.596 18281 11752 1 15 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.125 0.125 18281 11753 1 15 . 1 1 37 37 GLN C C 37 177.740 177.740 176.689 1.051 18281 11754 1 15 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.839 -0.529 18281 11755 1 15 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.039 -0.519 18281 11756 1 15 . 1 1 37 37 GLN H H 37 8.660 8.660 8.594 0.066 18281 11757 1 15 . 1 1 38 38 ALA N N 38 123.250 123.250 119.184 4.066 18281 11758 1 15 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.429 -0.039 18281 11759 1 15 . 1 1 38 38 ALA C C 38 177.850 177.850 176.750 1.100 18281 11760 1 15 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.103 0.397 18281 11761 1 15 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.900 -0.070 18281 11762 1 15 . 1 1 38 38 ALA H H 38 8.030 8.030 7.278 0.752 18281 11763 1 15 . 1 1 39 39 VAL N N 39 117.330 117.330 114.762 2.568 18281 11764 1 15 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.108 0.022 18281 11765 1 15 . 1 1 39 39 VAL C C 39 172.750 172.750 175.503 -2.753 18281 11766 1 15 . 1 1 39 39 VAL CA C 39 62.450 62.450 61.326 1.124 18281 11767 1 15 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.685 -1.055 18281 11768 1 15 . 1 1 39 39 VAL H H 39 7.660 7.660 7.114 0.546 18281 11769 1 15 . 1 1 40 40 LYS N N 40 125.270 125.270 125.128 0.142 18281 11770 1 15 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.152 0.308 18281 11771 1 15 . 1 1 40 40 LYS C C 40 177.240 177.240 176.458 0.782 18281 11772 1 15 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.639 -1.190 18281 11773 1 15 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.410 0.590 18281 11774 1 15 . 1 1 40 40 LYS H H 40 8.910 8.910 9.028 -0.118 18281 11775 1 15 . 1 1 41 41 CYS N N 41 112.210 112.210 115.864 -3.654 18281 11776 1 15 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.398 0.162 18281 11777 1 15 . 1 1 41 41 CYS C C 41 170.900 170.900 172.538 -1.638 18281 11778 1 15 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.778 -1.758 18281 11779 1 15 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.695 0.105 18281 11780 1 15 . 1 1 41 41 CYS H H 41 7.680 7.680 7.693 -0.013 18281 11781 1 15 . 1 1 42 42 ALA N N 42 125.620 125.620 129.416 -3.796 18281 11782 1 15 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.762 0.458 18281 11783 1 15 . 1 1 42 42 ALA C C 42 175.690 175.690 175.761 -0.071 18281 11784 1 15 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.083 -0.103 18281 11785 1 15 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.489 2.511 18281 11786 1 15 . 1 1 42 42 ALA H H 42 8.700 8.700 8.438 0.262 18281 11787 1 15 . 1 1 43 43 GLU N N 43 120.730 120.730 124.566 -3.836 18281 11788 1 15 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.678 -0.018 18281 11789 1 15 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.392 -0.022 18281 11790 1 15 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.649 0.471 18281 11791 1 15 . 1 1 43 43 GLU H H 43 8.810 8.810 8.494 0.316 18281 11792 1 15 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.480 -0.440 18281 11793 1 15 . 1 1 44 44 ILE C C 44 176.190 176.190 176.114 0.076 18281 11794 1 15 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.602 1.387 18281 11795 1 15 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.520 -0.740 18281 11796 1 15 . 1 1 45 45 LEU N N 45 129.030 129.030 129.785 -0.755 18281 11797 1 15 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.210 0.240 18281 11798 1 15 . 1 1 45 45 LEU C C 45 177.270 177.270 176.606 0.664 18281 11799 1 15 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.831 -0.821 18281 11800 1 15 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.937 -0.457 18281 11801 1 15 . 1 1 45 45 LEU H H 45 9.090 9.090 8.713 0.377 18281 11802 1 15 . 1 1 46 46 GLU N N 46 116.640 116.640 113.420 3.220 18281 11803 1 15 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.451 0.159 18281 11804 1 15 . 1 1 46 46 GLU C C 46 174.840 174.840 175.469 -0.629 18281 11805 1 15 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.358 0.253 18281 11806 1 15 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.850 0.720 18281 11807 1 15 . 1 1 46 46 GLU H H 46 7.700 7.700 7.490 0.210 18281 11808 1 15 . 1 1 47 47 GLY N N 47 110.230 110.230 109.859 0.371 18281 11809 1 15 . 1 1 47 47 GLY C C 47 173.630 173.630 173.771 -0.141 18281 11810 1 15 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.687 -1.007 18281 11811 1 15 . 1 1 47 47 GLY H H 47 8.620 8.620 8.756 -0.136 18281 11812 1 15 . 1 1 48 48 ASP N N 48 115.220 115.220 120.722 -5.502 18281 11813 1 15 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.323 0.447 18281 11814 1 15 . 1 1 48 48 ASP C C 48 177.340 177.340 176.096 1.244 18281 11815 1 15 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.835 -1.915 18281 11816 1 15 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.429 2.251 18281 11817 1 15 . 1 1 48 48 ASP H H 48 7.960 7.960 8.439 -0.479 18281 11818 1 15 . 1 1 49 49 GLY N N 49 110.900 110.900 103.033 7.867 18281 11819 1 15 . 1 1 49 49 GLY C C 49 174.750 174.750 173.802 0.948 18281 11820 1 15 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.285 0.025 18281 11821 1 15 . 1 1 49 49 GLY H H 49 8.750 8.750 8.537 0.213 18281 11822 1 15 . 1 1 50 50 GLY N N 50 107.020 107.020 107.296 -0.276 18281 11823 1 15 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.734 0.866 18281 11824 1 15 . 1 1 50 50 GLY H H 50 8.300 8.300 8.184 0.116 18281 11825 1 15 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.299 -0.339 18281 11826 1 15 . 1 1 51 51 PRO C C 51 176.780 176.780 177.653 -0.873 18281 11827 1 15 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.379 1.621 18281 11828 1 15 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.685 0.185 18281 11829 1 15 . 1 1 52 52 GLY N N 52 114.320 114.320 113.429 0.891 18281 11830 1 15 . 1 1 52 52 GLY C C 52 174.170 174.170 174.334 -0.164 18281 11831 1 15 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.388 -0.708 18281 11832 1 15 . 1 1 52 52 GLY H H 52 9.240 9.240 8.929 0.311 18281 11833 1 15 . 1 1 53 53 THR N N 53 118.900 118.900 116.682 2.218 18281 11834 1 15 . 1 1 53 53 THR HA H 53 4.660 4.660 4.561 0.099 18281 11835 1 15 . 1 1 53 53 THR C C 53 173.510 173.510 174.111 -0.601 18281 11836 1 15 . 1 1 53 53 THR CA C 53 64.580 64.580 64.294 0.286 18281 11837 1 15 . 1 1 53 53 THR CB C 53 70.070 70.070 69.950 0.120 18281 11838 1 15 . 1 1 53 53 THR H H 53 7.910 7.910 7.417 0.493 18281 11839 1 15 . 1 1 54 54 ILE N N 54 124.830 124.830 126.845 -2.015 18281 11840 1 15 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.460 0.850 18281 11841 1 15 . 1 1 54 54 ILE C C 54 175.260 175.260 174.809 0.451 18281 11842 1 15 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.685 -0.815 18281 11843 1 15 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.164 0.286 18281 11844 1 15 . 1 1 54 54 ILE H H 54 8.550 8.550 8.794 -0.244 18281 11845 1 15 . 1 1 55 55 LYS N N 55 126.970 126.970 126.444 0.526 18281 11846 1 15 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.167 0.133 18281 11847 1 15 . 1 1 55 55 LYS C C 55 173.950 173.950 175.322 -1.372 18281 11848 1 15 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.410 -0.580 18281 11849 1 15 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.935 0.794 18281 11850 1 15 . 1 1 55 55 LYS H H 55 9.400 9.400 9.236 0.164 18281 11851 1 15 . 1 1 56 56 LYS N N 56 124.220 124.220 124.222 -0.002 18281 11852 1 15 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.738 0.542 18281 11853 1 15 . 1 1 56 56 LYS C C 56 175.230 175.230 174.261 0.969 18281 11854 1 15 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.750 -0.960 18281 11855 1 15 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.076 -0.016 18281 11856 1 15 . 1 1 56 56 LYS H H 56 9.360 9.360 9.086 0.274 18281 11857 1 15 . 1 1 57 57 ILE N N 57 132.380 132.380 127.739 4.641 18281 11858 1 15 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.437 0.203 18281 11859 1 15 . 1 1 57 57 ILE C C 57 174.840 174.840 174.718 0.122 18281 11860 1 15 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.961 0.519 18281 11861 1 15 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.159 -1.889 18281 11862 1 15 . 1 1 57 57 ILE H H 57 9.240 9.240 8.805 0.435 18281 11863 1 15 . 1 1 58 58 THR N N 58 122.310 122.310 122.523 -0.213 18281 11864 1 15 . 1 1 58 58 THR HA H 58 5.180 5.180 4.706 0.474 18281 11865 1 15 . 1 1 58 58 THR C C 58 174.260 174.260 173.427 0.833 18281 11866 1 15 . 1 1 58 58 THR CA C 58 61.720 61.720 62.202 -0.482 18281 11867 1 15 . 1 1 58 58 THR CB C 58 70.640 70.640 69.971 0.670 18281 11868 1 15 . 1 1 58 58 THR H H 58 8.720 8.720 8.213 0.507 18281 11869 1 15 . 1 1 59 59 PHE N N 59 124.570 124.570 126.721 -2.151 18281 11870 1 15 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.948 0.072 18281 11871 1 15 . 1 1 59 59 PHE C C 59 174.510 174.510 177.002 -2.492 18281 11872 1 15 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.626 -1.176 18281 11873 1 15 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.067 0.943 18281 11874 1 15 . 1 1 59 59 PHE H H 59 8.570 8.570 9.338 -0.768 18281 11875 1 15 . 1 1 60 60 GLY N N 60 104.600 104.600 111.990 -7.390 18281 11876 1 15 . 1 1 60 60 GLY C C 60 173.500 173.500 173.900 -0.400 18281 11877 1 15 . 1 1 60 60 GLY CA C 60 44.830 44.830 45.036 -0.206 18281 11878 1 15 . 1 1 60 60 GLY H H 60 7.800 7.800 8.351 -0.551 18281 11879 1 15 . 1 1 61 61 GLU N N 61 119.400 119.400 120.940 -1.540 18281 11880 1 15 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.086 0.024 18281 11881 1 15 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.871 -1.071 18281 11882 1 15 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.026 0.914 18281 11883 1 15 . 1 1 61 61 GLU H H 61 8.290 8.290 8.439 -0.149 18281 11884 1 15 . 1 1 62 62 GLY N N 62 110.940 110.940 110.515 0.425 18281 11885 1 15 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.014 1.186 18281 11886 1 15 . 1 1 62 62 GLY H H 62 8.870 8.870 8.683 0.187 18281 11887 1 15 . 1 1 66 66 GLY C C 66 176.930 176.930 173.051 3.879 18281 11888 1 15 . 1 1 66 66 GLY CA C 66 45.080 45.080 46.135 -1.055 18281 11889 1 15 . 1 1 67 67 TYR N N 67 115.490 115.490 115.869 -0.379 18281 11890 1 15 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.554 0.026 18281 11891 1 15 . 1 1 67 67 TYR C C 67 175.470 175.470 173.716 1.754 18281 11892 1 15 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.963 -0.043 18281 11893 1 15 . 1 1 67 67 TYR CB C 67 41.720 41.720 40.929 0.791 18281 11894 1 15 . 1 1 67 67 TYR H H 67 8.110 8.110 7.875 0.235 18281 11895 1 15 . 1 1 68 68 VAL N N 68 111.980 111.980 115.482 -3.502 18281 11896 1 15 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.591 0.429 18281 11897 1 15 . 1 1 68 68 VAL C C 68 175.480 175.480 174.400 1.080 18281 11898 1 15 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.110 -0.610 18281 11899 1 15 . 1 1 68 68 VAL CB C 68 36.460 36.460 36.127 0.333 18281 11900 1 15 . 1 1 68 68 VAL H H 68 8.840 8.840 8.557 0.283 18281 11901 1 15 . 1 1 69 69 LYS N N 69 118.430 118.430 122.199 -3.769 18281 11902 1 15 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.028 0.672 18281 11903 1 15 . 1 1 69 69 LYS C C 69 175.740 175.740 175.536 0.204 18281 11904 1 15 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.808 0.562 18281 11905 1 15 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.263 1.317 18281 11906 1 15 . 1 1 69 69 LYS H H 69 8.590 8.590 8.672 -0.082 18281 11907 1 15 . 1 1 70 70 HIS N N 70 122.590 122.590 121.602 0.988 18281 11908 1 15 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.267 0.923 18281 11909 1 15 . 1 1 70 70 HIS C C 70 174.590 174.590 173.748 0.842 18281 11910 1 15 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.987 -4.147 18281 11911 1 15 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.318 2.692 18281 11912 1 15 . 1 1 70 70 HIS H H 70 9.160 9.160 8.697 0.463 18281 11913 1 15 . 1 1 71 71 LYS N N 71 122.760 122.760 122.724 0.036 18281 11914 1 15 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.533 -0.043 18281 11915 1 15 . 1 1 71 71 LYS C C 71 175.500 175.500 174.704 0.796 18281 11916 1 15 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.124 -0.084 18281 11917 1 15 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.603 -0.733 18281 11918 1 15 . 1 1 71 71 LYS H H 71 9.460 9.460 9.420 0.040 18281 11919 1 15 . 1 1 72 72 ILE N N 72 127.870 127.870 126.437 1.433 18281 11920 1 15 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.254 -0.374 18281 11921 1 15 . 1 1 72 72 ILE C C 72 175.430 175.430 175.765 -0.335 18281 11922 1 15 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.666 1.734 18281 11923 1 15 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.243 -1.203 18281 11924 1 15 . 1 1 72 72 ILE H H 72 9.320 9.320 8.749 0.571 18281 11925 1 15 . 1 1 73 73 HIS N N 73 127.690 127.690 125.989 1.701 18281 11926 1 15 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.625 0.495 18281 11927 1 15 . 1 1 73 73 HIS C C 73 176.240 176.240 174.883 1.357 18281 11928 1 15 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.862 -0.892 18281 11929 1 15 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.531 0.409 18281 11930 1 15 . 1 1 73 73 HIS H H 73 9.080 9.080 8.262 0.818 18281 11931 1 15 . 1 1 74 74 SER N N 74 110.900 110.900 110.830 0.070 18281 11932 1 15 . 1 1 74 74 SER HA H 74 4.760 4.760 4.723 0.037 18281 11933 1 15 . 1 1 74 74 SER C C 74 172.620 172.620 172.154 0.466 18281 11934 1 15 . 1 1 74 74 SER CA C 74 57.880 57.880 57.943 -0.063 18281 11935 1 15 . 1 1 74 74 SER CB C 74 66.790 66.790 66.121 0.669 18281 11936 1 15 . 1 1 74 74 SER H H 74 8.180 8.180 7.561 0.619 18281 11937 1 15 . 1 1 75 75 ILE N N 75 123.780 123.780 117.797 5.983 18281 11938 1 15 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.860 -0.180 18281 11939 1 15 . 1 1 75 75 ILE C C 75 174.010 174.010 174.412 -0.402 18281 11940 1 15 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.615 2.525 18281 11941 1 15 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.155 -0.845 18281 11942 1 15 . 1 1 75 75 ILE H H 75 8.730 8.730 8.196 0.534 18281 11943 1 15 . 1 1 76 76 ASP N N 76 127.280 127.280 125.642 1.638 18281 11944 1 15 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.005 0.075 18281 11945 1 15 . 1 1 76 76 ASP C C 76 176.680 176.680 175.738 0.942 18281 11946 1 15 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.264 -1.134 18281 11947 1 15 . 1 1 76 76 ASP CB C 76 41.550 41.550 42.110 -0.560 18281 11948 1 15 . 1 1 76 76 ASP H H 76 9.110 9.110 9.171 -0.061 18281 11949 1 15 . 1 1 77 77 LYS N N 77 122.400 122.400 123.501 -1.101 18281 11950 1 15 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.475 0.505 18281 11951 1 15 . 1 1 77 77 LYS C C 77 175.980 175.980 176.709 -0.729 18281 11952 1 15 . 1 1 77 77 LYS CA C 77 57.420 57.420 58.439 -1.019 18281 11953 1 15 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.541 0.239 18281 11954 1 15 . 1 1 77 77 LYS H H 77 8.890 8.890 8.686 0.204 18281 11955 1 15 . 1 1 78 78 VAL N N 78 119.300 119.300 116.366 2.934 18281 11956 1 15 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.650 0.010 18281 11957 1 15 . 1 1 78 78 VAL C C 78 176.290 176.290 176.319 -0.029 18281 11958 1 15 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.239 0.181 18281 11959 1 15 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.558 0.542 18281 11960 1 15 . 1 1 78 78 VAL H H 78 8.110 8.110 7.826 0.284 18281 11961 1 15 . 1 1 79 79 ASN N N 79 114.400 114.400 115.298 -0.898 18281 11962 1 15 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.597 -0.117 18281 11963 1 15 . 1 1 79 79 ASN C C 79 173.670 173.670 174.741 -1.071 18281 11964 1 15 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.391 -0.851 18281 11965 1 15 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.242 0.848 18281 11966 1 15 . 1 1 79 79 ASN H H 79 7.700 7.700 8.031 -0.331 18281 11967 1 15 . 1 1 80 80 HIS N N 80 115.530 115.530 112.034 3.496 18281 11968 1 15 . 1 1 80 80 HIS C C 80 173.450 173.450 173.734 -0.284 18281 11969 1 15 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.963 -0.433 18281 11970 1 15 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.690 0.510 18281 11971 1 15 . 1 1 80 80 HIS H H 80 6.980 6.980 7.004 -0.024 18281 11972 1 15 . 1 1 81 81 THR N N 81 109.600 109.600 114.363 -4.763 18281 11973 1 15 . 1 1 81 81 THR HA H 81 5.730 5.730 5.206 0.524 18281 11974 1 15 . 1 1 81 81 THR C C 81 172.980 172.980 172.884 0.096 18281 11975 1 15 . 1 1 81 81 THR CA C 81 60.190 60.190 61.854 -1.664 18281 11976 1 15 . 1 1 81 81 THR CB C 81 71.740 71.740 71.335 0.405 18281 11977 1 15 . 1 1 81 81 THR H H 81 7.990 7.990 7.790 0.200 18281 11978 1 15 . 1 1 82 82 TYR N N 82 125.000 125.000 128.195 -3.195 18281 11979 1 15 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.952 0.748 18281 11980 1 15 . 1 1 82 82 TYR C C 82 173.600 173.600 173.195 0.405 18281 11981 1 15 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.880 -1.550 18281 11982 1 15 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.233 0.577 18281 11983 1 15 . 1 1 82 82 TYR H H 82 9.300 9.300 9.880 -0.580 18281 11984 1 15 . 1 1 83 83 SER N N 83 121.820 121.820 123.109 -1.289 18281 11985 1 15 . 1 1 83 83 SER HA H 83 5.670 5.670 5.225 0.445 18281 11986 1 15 . 1 1 83 83 SER C C 83 173.490 173.490 172.835 0.655 18281 11987 1 15 . 1 1 83 83 SER CA C 83 56.420 56.420 57.190 -0.770 18281 11988 1 15 . 1 1 83 83 SER CB C 83 65.520 65.520 65.559 -0.039 18281 11989 1 15 . 1 1 83 83 SER H H 83 9.090 9.090 8.051 1.039 18281 11990 1 15 . 1 1 84 84 TYR N N 84 122.970 122.970 121.954 1.016 18281 11991 1 15 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.250 -0.020 18281 11992 1 15 . 1 1 84 84 TYR C C 84 172.530 172.530 173.100 -0.570 18281 11993 1 15 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.208 0.212 18281 11994 1 15 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.688 -0.738 18281 11995 1 15 . 1 1 84 84 TYR H H 84 8.790 8.790 9.162 -0.372 18281 11996 1 15 . 1 1 85 85 SER N N 85 114.200 114.200 113.176 1.024 18281 11997 1 15 . 1 1 85 85 SER HA H 85 5.700 5.700 5.219 0.481 18281 11998 1 15 . 1 1 85 85 SER C C 85 173.180 173.180 172.616 0.564 18281 11999 1 15 . 1 1 85 85 SER CA C 85 57.510 57.510 57.326 0.184 18281 12000 1 15 . 1 1 85 85 SER CB C 85 65.940 65.940 67.071 -1.131 18281 12001 1 15 . 1 1 85 85 SER H H 85 9.350 9.350 9.493 -0.143 18281 12002 1 15 . 1 1 86 86 LEU N N 86 128.880 128.880 124.851 4.029 18281 12003 1 15 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.799 0.431 18281 12004 1 15 . 1 1 86 86 LEU C C 86 176.230 176.230 176.849 -0.619 18281 12005 1 15 . 1 1 86 86 LEU CA C 86 55.590 55.590 53.940 1.651 18281 12006 1 15 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.388 0.762 18281 12007 1 15 . 1 1 86 86 LEU H H 86 9.900 9.900 8.674 1.226 18281 12008 1 15 . 1 1 87 87 ILE N N 87 115.900 115.900 127.988 -12.088 18281 12009 1 15 . 1 1 87 87 ILE HA H 87 4.930 4.930 3.909 1.021 18281 12010 1 15 . 1 1 87 87 ILE C C 87 176.080 176.080 176.704 -0.624 18281 12011 1 15 . 1 1 87 87 ILE CA C 87 61.270 61.270 62.706 -1.436 18281 12012 1 15 . 1 1 87 87 ILE CB C 87 39.830 39.830 37.649 2.181 18281 12013 1 15 . 1 1 87 87 ILE H H 87 8.180 8.180 8.687 -0.507 18281 12014 1 15 . 1 1 88 88 GLU N N 88 121.920 121.920 117.201 4.719 18281 12015 1 15 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.445 0.065 18281 12016 1 15 . 1 1 88 88 GLU C C 88 174.020 174.020 174.780 -0.760 18281 12017 1 15 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.229 1.811 18281 12018 1 15 . 1 1 88 88 GLU CB C 88 34.970 34.970 32.759 2.211 18281 12019 1 15 . 1 1 88 88 GLU H H 88 7.650 7.650 7.426 0.224 18281 12020 1 15 . 1 1 89 89 GLY N N 89 111.650 111.650 106.867 4.783 18281 12021 1 15 . 1 1 89 89 GLY C C 89 173.800 173.800 174.287 -0.487 18281 12022 1 15 . 1 1 89 89 GLY CA C 89 44.950 44.950 45.018 -0.068 18281 12023 1 15 . 1 1 89 89 GLY H H 89 8.830 8.830 8.190 0.640 18281 12024 1 15 . 1 1 90 90 ASP N N 90 119.650 119.650 126.440 -6.790 18281 12025 1 15 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.199 0.161 18281 12026 1 15 . 1 1 90 90 ASP C C 90 176.570 176.570 177.051 -0.481 18281 12027 1 15 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.894 0.146 18281 12028 1 15 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.349 0.931 18281 12029 1 15 . 1 1 90 90 ASP H H 90 8.430 8.430 8.097 0.333 18281 12030 1 15 . 1 1 91 91 ALA N N 91 118.530 118.530 119.020 -0.490 18281 12031 1 15 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.114 0.126 18281 12032 1 15 . 1 1 91 91 ALA C C 91 177.740 177.740 178.183 -0.443 18281 12033 1 15 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.784 -0.574 18281 12034 1 15 . 1 1 91 91 ALA CB C 91 19.310 19.310 17.945 1.365 18281 12035 1 15 . 1 1 91 91 ALA H H 91 7.810 7.810 7.968 -0.158 18281 12036 1 15 . 1 1 92 92 LEU N N 92 117.330 117.330 117.961 -0.631 18281 12037 1 15 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.241 0.219 18281 12038 1 15 . 1 1 92 92 LEU C C 92 176.210 176.210 177.125 -0.915 18281 12039 1 15 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.960 -1.940 18281 12040 1 15 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.582 -2.372 18281 12041 1 15 . 1 1 92 92 LEU H H 92 7.600 7.600 7.980 -0.380 18281 12042 1 15 . 1 1 93 93 SER N N 93 115.780 115.780 112.628 3.152 18281 12043 1 15 . 1 1 93 93 SER HA H 93 4.620 4.620 4.048 0.572 18281 12044 1 15 . 1 1 93 93 SER C C 93 173.970 173.970 175.455 -1.485 18281 12045 1 15 . 1 1 93 93 SER CA C 93 57.730 57.730 59.606 -1.876 18281 12046 1 15 . 1 1 93 93 SER CB C 93 64.920 64.920 63.173 1.747 18281 12047 1 15 . 1 1 93 93 SER H H 93 7.910 7.910 7.691 0.219 18281 12048 1 15 . 1 1 94 94 GLU N N 94 119.400 119.400 119.644 -0.244 18281 12049 1 15 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.093 0.067 18281 12050 1 15 . 1 1 94 94 GLU C C 94 176.570 176.570 176.928 -0.358 18281 12051 1 15 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.051 0.649 18281 12052 1 15 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.561 -0.352 18281 12053 1 15 . 1 1 94 94 GLU H H 94 8.850 8.850 8.781 0.069 18281 12054 1 15 . 1 1 95 95 ASN N N 95 113.460 113.460 115.704 -2.244 18281 12055 1 15 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.669 0.131 18281 12056 1 15 . 1 1 95 95 ASN C C 95 174.070 174.070 174.452 -0.382 18281 12057 1 15 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.970 0.150 18281 12058 1 15 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.157 0.193 18281 12059 1 15 . 1 1 95 95 ASN H H 95 8.290 8.290 7.801 0.489 18281 12060 1 15 . 1 1 96 96 ILE N N 96 120.610 120.610 120.548 0.062 18281 12061 1 15 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.250 -0.060 18281 12062 1 15 . 1 1 96 96 ILE CA C 96 60.930 60.930 60.933 -0.003 18281 12063 1 15 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.856 -0.987 18281 12064 1 15 . 1 1 96 96 ILE H H 96 7.770 7.770 7.603 0.167 18281 12065 1 15 . 1 1 97 97 GLU N N 97 126.670 126.670 124.712 1.958 18281 12066 1 15 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.568 0.222 18281 12067 1 15 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.073 1.127 18281 12068 1 15 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.312 1.638 18281 12069 1 15 . 1 1 97 97 GLU H H 97 8.460 8.460 8.992 -0.532 18281 12070 1 15 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.458 0.252 18281 12071 1 15 . 1 1 98 98 LYS C C 98 173.650 173.650 176.321 -2.671 18281 12072 1 15 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.155 -1.185 18281 12073 1 15 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.201 1.599 18281 12074 1 15 . 1 1 99 99 ILE N N 99 120.290 120.290 119.476 0.814 18281 12075 1 15 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.466 0.324 18281 12076 1 15 . 1 1 99 99 ILE C C 99 174.690 174.690 174.389 0.301 18281 12077 1 15 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.844 0.456 18281 12078 1 15 . 1 1 99 99 ILE CB C 99 41.550 41.550 40.876 0.674 18281 12079 1 15 . 1 1 99 99 ILE H H 99 7.720 7.720 8.263 -0.543 18281 12080 1 15 . 1 1 100 100 ASP N N 100 126.970 126.970 126.092 0.878 18281 12081 1 15 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.776 0.324 18281 12082 1 15 . 1 1 100 100 ASP C C 100 174.490 174.490 174.135 0.355 18281 12083 1 15 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.581 0.049 18281 12084 1 15 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.156 0.694 18281 12085 1 15 . 1 1 100 100 ASP H H 100 9.220 9.220 8.435 0.785 18281 12086 1 15 . 1 1 101 101 TYR N N 101 120.640 120.640 124.155 -3.515 18281 12087 1 15 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.925 0.355 18281 12088 1 15 . 1 1 101 101 TYR C C 101 175.740 175.740 175.193 0.547 18281 12089 1 15 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.404 0.576 18281 12090 1 15 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.290 0.350 18281 12091 1 15 . 1 1 101 101 TYR H H 101 9.140 9.140 9.045 0.095 18281 12092 1 15 . 1 1 102 102 GLU N N 102 122.040 122.040 122.111 -0.071 18281 12093 1 15 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.913 0.217 18281 12094 1 15 . 1 1 102 102 GLU C C 102 175.360 175.360 175.756 -0.396 18281 12095 1 15 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.382 0.488 18281 12096 1 15 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.213 -1.143 18281 12097 1 15 . 1 1 102 102 GLU H H 102 8.670 8.670 9.265 -0.595 18281 12098 1 15 . 1 1 103 103 THR N N 103 125.840 125.840 120.598 5.242 18281 12099 1 15 . 1 1 103 103 THR HA H 103 5.580 5.580 5.191 0.389 18281 12100 1 15 . 1 1 103 103 THR C C 103 172.780 172.780 173.030 -0.250 18281 12101 1 15 . 1 1 103 103 THR CA C 103 62.150 62.150 62.037 0.113 18281 12102 1 15 . 1 1 103 103 THR CB C 103 71.750 71.750 72.064 -0.314 18281 12103 1 15 . 1 1 103 103 THR H H 103 9.550 9.550 9.461 0.089 18281 12104 1 15 . 1 1 104 104 LYS N N 104 126.990 126.990 127.192 -0.202 18281 12105 1 15 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.930 0.310 18281 12106 1 15 . 1 1 104 104 LYS C C 104 174.300 174.300 174.114 0.186 18281 12107 1 15 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.209 0.122 18281 12108 1 15 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.325 -0.385 18281 12109 1 15 . 1 1 104 104 LYS H H 104 9.430 9.430 8.993 0.437 18281 12110 1 15 . 1 1 105 105 LEU N N 105 124.700 124.700 127.461 -2.761 18281 12111 1 15 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.623 0.587 18281 12112 1 15 . 1 1 105 105 LEU C C 105 175.780 175.780 175.582 0.198 18281 12113 1 15 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.313 0.307 18281 12114 1 15 . 1 1 105 105 LEU CB C 105 41.950 41.950 43.605 -1.655 18281 12115 1 15 . 1 1 105 105 LEU H H 105 8.410 8.410 9.122 -0.712 18281 12116 1 15 . 1 1 106 106 VAL N N 106 123.290 123.290 124.602 -1.312 18281 12117 1 15 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.352 0.078 18281 12118 1 15 . 1 1 106 106 VAL C C 106 175.560 175.560 174.220 1.340 18281 12119 1 15 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.491 -0.021 18281 12120 1 15 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.715 -0.695 18281 12121 1 15 . 1 1 106 106 VAL H H 106 9.180 9.180 9.175 0.005 18281 12122 1 15 . 1 1 107 107 SER N N 107 121.800 121.800 119.909 1.891 18281 12123 1 15 . 1 1 107 107 SER HA H 107 4.660 4.660 4.655 0.005 18281 12124 1 15 . 1 1 107 107 SER C C 107 173.600 173.600 173.501 0.099 18281 12125 1 15 . 1 1 107 107 SER CA C 107 59.860 59.860 56.547 3.313 18281 12126 1 15 . 1 1 107 107 SER CB C 107 63.250 63.250 64.538 -1.288 18281 12127 1 15 . 1 1 107 107 SER H H 107 8.910 8.910 8.307 0.603 18281 12128 1 15 . 1 1 108 108 ALA N N 108 129.210 129.210 126.691 2.519 18281 12129 1 15 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.902 -0.272 18281 12130 1 15 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.867 0.753 18281 12131 1 15 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.878 -0.078 18281 12132 1 15 . 1 1 108 108 ALA H H 108 8.310 8.310 8.293 0.017 18281 12133 1 15 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.288 0.132 18281 12134 1 15 . 1 1 109 109 PRO CA C 109 63.700 63.700 65.107 -1.407 18281 12135 1 15 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.618 0.582 18281 12136 1 15 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.479 0.291 18281 12137 1 15 . 1 1 110 110 HIS C C 110 175.760 175.760 175.937 -0.177 18281 12138 1 15 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.415 -1.025 18281 12139 1 15 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.289 -0.879 18281 12140 1 15 . 1 1 111 111 GLY N N 111 108.720 108.720 106.651 2.069 18281 12141 1 15 . 1 1 111 111 GLY C C 111 174.390 174.390 173.986 0.404 18281 12142 1 15 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.131 -0.001 18281 12143 1 15 . 1 1 111 111 GLY H H 111 7.730 7.730 7.871 -0.141 18281 12144 1 15 . 1 1 112 112 GLY N N 112 107.670 107.670 108.462 -0.792 18281 12145 1 15 . 1 1 112 112 GLY C C 112 174.150 174.150 173.067 1.083 18281 12146 1 15 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.355 0.065 18281 12147 1 15 . 1 1 112 112 GLY H H 112 7.600 7.600 7.966 -0.366 18281 12148 1 15 . 1 1 113 113 THR N N 113 119.830 119.830 116.485 3.345 18281 12149 1 15 . 1 1 113 113 THR HA H 113 5.060 5.060 4.806 0.254 18281 12150 1 15 . 1 1 113 113 THR C C 113 173.250 173.250 173.574 -0.324 18281 12151 1 15 . 1 1 113 113 THR CA C 113 62.990 62.990 61.935 1.055 18281 12152 1 15 . 1 1 113 113 THR CB C 113 72.270 72.270 70.906 1.364 18281 12153 1 15 . 1 1 113 113 THR H H 113 9.070 9.070 8.013 1.057 18281 12154 1 15 . 1 1 114 114 ILE N N 114 127.600 127.600 127.645 -0.045 18281 12155 1 15 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.510 -0.000 18281 12156 1 15 . 1 1 114 114 ILE C C 114 174.370 174.370 174.594 -0.224 18281 12157 1 15 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.963 0.197 18281 12158 1 15 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.257 0.713 18281 12159 1 15 . 1 1 114 114 ILE H H 114 9.490 9.490 9.043 0.447 18281 12160 1 15 . 1 1 115 115 ILE N N 115 129.200 129.200 126.595 2.605 18281 12161 1 15 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.921 -0.421 18281 12162 1 15 . 1 1 115 115 ILE C C 115 175.000 175.000 174.909 0.091 18281 12163 1 15 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.829 1.571 18281 12164 1 15 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.839 -2.839 18281 12165 1 15 . 1 1 115 115 ILE H H 115 9.220 9.220 9.002 0.218 18281 12166 1 15 . 1 1 116 116 LYS N N 116 127.550 127.550 128.400 -0.850 18281 12167 1 15 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.201 -0.031 18281 12168 1 15 . 1 1 116 116 LYS C C 116 176.300 176.300 175.713 0.587 18281 12169 1 15 . 1 1 116 116 LYS CA C 116 55.370 55.370 55.155 0.215 18281 12170 1 15 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.667 -0.087 18281 12171 1 15 . 1 1 116 116 LYS H H 116 9.130 9.130 8.565 0.565 18281 12172 1 15 . 1 1 117 117 THR N N 117 120.940 120.940 122.194 -1.254 18281 12173 1 15 . 1 1 117 117 THR HA H 117 5.730 5.730 5.473 0.257 18281 12174 1 15 . 1 1 117 117 THR C C 117 174.620 174.620 173.830 0.790 18281 12175 1 15 . 1 1 117 117 THR CA C 117 60.990 60.990 60.961 0.029 18281 12176 1 15 . 1 1 117 117 THR CB C 117 71.750 71.750 71.200 0.550 18281 12177 1 15 . 1 1 117 117 THR H H 117 9.020 9.020 9.204 -0.184 18281 12178 1 15 . 1 1 118 118 THR N N 118 125.750 125.750 124.095 1.655 18281 12179 1 15 . 1 1 118 118 THR HA H 118 5.170 5.170 5.482 -0.312 18281 12180 1 15 . 1 1 118 118 THR C C 118 173.760 173.760 173.658 0.102 18281 12181 1 15 . 1 1 118 118 THR CA C 118 61.800 61.800 61.289 0.511 18281 12182 1 15 . 1 1 118 118 THR CB C 118 70.720 70.720 70.903 -0.183 18281 12183 1 15 . 1 1 118 118 THR H H 118 9.500 9.500 8.705 0.795 18281 12184 1 15 . 1 1 119 119 SER N N 119 122.250 122.250 121.447 0.803 18281 12185 1 15 . 1 1 119 119 SER HA H 119 5.270 5.270 5.123 0.147 18281 12186 1 15 . 1 1 119 119 SER C C 119 172.960 172.960 172.435 0.525 18281 12187 1 15 . 1 1 119 119 SER CA C 119 55.860 55.860 57.221 -1.361 18281 12188 1 15 . 1 1 119 119 SER CB C 119 66.720 66.720 66.070 0.650 18281 12189 1 15 . 1 1 119 119 SER H H 119 9.410 9.410 9.060 0.350 18281 12190 1 15 . 1 1 120 120 LYS N N 120 124.120 124.120 124.285 -0.165 18281 12191 1 15 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.627 0.613 18281 12192 1 15 . 1 1 120 120 LYS C C 120 174.780 174.780 173.832 0.948 18281 12193 1 15 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.115 -0.285 18281 12194 1 15 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.351 -0.191 18281 12195 1 15 . 1 1 120 120 LYS H H 120 9.150 9.150 8.175 0.975 18281 12196 1 15 . 1 1 121 121 TYR N N 121 126.500 126.500 123.748 2.752 18281 12197 1 15 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.017 0.983 18281 12198 1 15 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.415 -0.215 18281 12199 1 15 . 1 1 121 121 TYR H H 121 9.800 9.800 8.855 0.945 18281 12200 1 15 . 1 1 122 122 HIS C C 122 174.670 174.670 174.875 -0.205 18281 12201 1 15 . 1 1 123 123 THR N N 123 125.750 125.750 112.927 12.823 18281 12202 1 15 . 1 1 123 123 THR HA H 123 5.400 5.400 4.662 0.738 18281 12203 1 15 . 1 1 123 123 THR C C 123 174.460 174.460 174.323 0.137 18281 12204 1 15 . 1 1 123 123 THR CA C 123 60.230 60.230 59.408 0.822 18281 12205 1 15 . 1 1 123 123 THR CB C 123 71.260 71.260 71.668 -0.408 18281 12206 1 15 . 1 1 123 123 THR H H 123 8.920 8.920 8.366 0.554 18281 12207 1 15 . 1 1 124 124 LYS N N 124 121.170 121.170 122.215 -1.045 18281 12208 1 15 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.198 0.562 18281 12209 1 15 . 1 1 124 124 LYS C C 124 176.450 176.450 176.600 -0.150 18281 12210 1 15 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.300 -2.790 18281 12211 1 15 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.692 1.208 18281 12212 1 15 . 1 1 124 124 LYS H H 124 8.590 8.590 8.417 0.173 18281 12213 1 15 . 1 1 125 125 GLY N N 125 110.070 110.070 105.689 4.381 18281 12214 1 15 . 1 1 125 125 GLY C C 125 173.620 173.620 172.914 0.706 18281 12215 1 15 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.410 -0.140 18281 12216 1 15 . 1 1 125 125 GLY H H 125 8.390 8.390 8.058 0.332 18281 12217 1 15 . 1 1 126 126 ASP N N 126 120.070 120.070 120.761 -0.691 18281 12218 1 15 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.656 0.014 18281 12219 1 15 . 1 1 126 126 ASP C C 126 175.580 175.580 175.883 -0.303 18281 12220 1 15 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.240 1.050 18281 12221 1 15 . 1 1 126 126 ASP CB C 126 40.360 40.360 39.959 0.401 18281 12222 1 15 . 1 1 126 126 ASP H H 126 8.440 8.440 8.424 0.016 18281 12223 1 15 . 1 1 127 127 VAL N N 127 119.620 119.620 121.015 -1.395 18281 12224 1 15 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.925 0.315 18281 12225 1 15 . 1 1 127 127 VAL C C 127 174.610 174.610 176.253 -1.643 18281 12226 1 15 . 1 1 127 127 VAL CA C 127 61.230 61.230 62.966 -1.736 18281 12227 1 15 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.249 2.001 18281 12228 1 15 . 1 1 127 127 VAL H H 127 7.620 7.620 7.791 -0.171 18281 12229 1 15 . 1 1 128 128 GLU N N 128 125.030 125.030 125.251 -0.221 18281 12230 1 15 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.570 -0.440 18281 12231 1 15 . 1 1 128 128 GLU C C 128 175.680 175.680 175.693 -0.013 18281 12232 1 15 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.358 0.182 18281 12233 1 15 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.814 -1.024 18281 12234 1 15 . 1 1 128 128 GLU H H 128 8.330 8.330 8.368 -0.038 18281 12235 1 15 . 1 1 129 129 ILE N N 129 124.070 124.070 121.219 2.851 18281 12236 1 15 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.366 -0.406 18281 12237 1 15 . 1 1 129 129 ILE C C 129 175.960 175.960 174.788 1.172 18281 12238 1 15 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.587 -0.237 18281 12239 1 15 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.374 -3.694 18281 12240 1 15 . 1 1 129 129 ILE H H 129 7.380 7.380 8.291 -0.911 18281 12241 1 15 . 1 1 130 130 LYS N N 130 127.800 127.800 122.884 4.916 18281 12242 1 15 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.557 -0.277 18281 12243 1 15 . 1 1 130 130 LYS C C 130 177.660 177.660 176.677 0.983 18281 12244 1 15 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.422 0.428 18281 12245 1 15 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.327 -0.517 18281 12246 1 15 . 1 1 130 130 LYS H H 130 8.790 8.790 8.437 0.353 18281 12247 1 15 . 1 1 131 131 GLU N N 131 125.060 125.060 126.115 -1.055 18281 12248 1 15 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.874 -0.064 18281 12249 1 15 . 1 1 131 131 GLU C C 131 178.630 178.630 178.252 0.378 18281 12250 1 15 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.083 -0.573 18281 12251 1 15 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.751 -0.451 18281 12252 1 15 . 1 1 131 131 GLU H H 131 8.880 8.880 9.200 -0.320 18281 12253 1 15 . 1 1 132 132 GLU N N 132 117.220 117.220 117.197 0.023 18281 12254 1 15 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.998 -0.018 18281 12255 1 15 . 1 1 132 132 GLU C C 132 178.630 178.630 178.858 -0.228 18281 12256 1 15 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.234 0.376 18281 12257 1 15 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.157 -0.177 18281 12258 1 15 . 1 1 132 132 GLU H H 132 9.200 9.200 8.919 0.281 18281 12259 1 15 . 1 1 133 133 HIS N N 133 119.810 119.810 119.602 0.208 18281 12260 1 15 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.340 0.130 18281 12261 1 15 . 1 1 133 133 HIS C C 133 178.430 178.430 177.448 0.982 18281 12262 1 15 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.204 -0.074 18281 12263 1 15 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.735 1.585 18281 12264 1 15 . 1 1 133 133 HIS H H 133 7.500 7.500 7.665 -0.165 18281 12265 1 15 . 1 1 134 134 VAL N N 134 120.370 120.370 119.440 0.930 18281 12266 1 15 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.346 0.303 18281 12267 1 15 . 1 1 134 134 VAL C C 134 179.170 179.170 177.545 1.625 18281 12268 1 15 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.523 -1.343 18281 12269 1 15 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.187 0.523 18281 12270 1 15 . 1 1 134 134 VAL H H 134 7.290 7.290 7.864 -0.574 18281 12271 1 15 . 1 1 135 135 LYS N N 135 121.310 121.310 120.247 1.063 18281 12272 1 15 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.849 0.111 18281 12273 1 15 . 1 1 135 135 LYS C C 135 178.310 178.310 178.438 -0.128 18281 12274 1 15 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.745 -0.415 18281 12275 1 15 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.310 -0.130 18281 12276 1 15 . 1 1 135 135 LYS H H 135 8.310 8.310 8.333 -0.023 18281 12277 1 15 . 1 1 136 136 ALA N N 136 121.150 121.150 120.215 0.935 18281 12278 1 15 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.028 0.202 18281 12279 1 15 . 1 1 136 136 ALA C C 136 180.930 180.930 179.472 1.458 18281 12280 1 15 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.916 0.103 18281 12281 1 15 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.119 -0.369 18281 12282 1 15 . 1 1 136 136 ALA H H 136 7.950 7.950 7.598 0.352 18281 12283 1 15 . 1 1 137 137 GLY N N 137 105.640 105.640 106.430 -0.790 18281 12284 1 15 . 1 1 137 137 GLY C C 137 177.000 177.000 176.013 0.987 18281 12285 1 15 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.855 0.305 18281 12286 1 15 . 1 1 137 137 GLY H H 137 7.930 7.930 7.596 0.334 18281 12287 1 15 . 1 1 138 138 LYS N N 138 124.210 124.210 122.527 1.683 18281 12288 1 15 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.053 0.177 18281 12289 1 15 . 1 1 138 138 LYS C C 138 178.860 178.860 178.812 0.048 18281 12290 1 15 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.892 -0.102 18281 12291 1 15 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.478 0.192 18281 12292 1 15 . 1 1 138 138 LYS H H 138 7.960 7.960 7.623 0.337 18281 12293 1 15 . 1 1 139 139 GLU N N 139 119.720 119.720 118.884 0.836 18281 12294 1 15 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.010 0.130 18281 12295 1 15 . 1 1 139 139 GLU C C 139 179.710 179.710 178.847 0.863 18281 12296 1 15 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.554 -0.374 18281 12297 1 15 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.428 -0.128 18281 12298 1 15 . 1 1 139 139 GLU H H 139 8.370 8.370 7.951 0.419 18281 12299 1 15 . 1 1 140 140 LYS N N 140 120.270 120.270 120.343 -0.073 18281 12300 1 15 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.967 0.143 18281 12301 1 15 . 1 1 140 140 LYS C C 140 179.210 179.210 178.827 0.383 18281 12302 1 15 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.871 -0.261 18281 12303 1 15 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.432 -0.052 18281 12304 1 15 . 1 1 140 140 LYS H H 140 8.140 8.140 7.996 0.144 18281 12305 1 15 . 1 1 141 141 ALA N N 141 121.910 121.910 121.106 0.804 18281 12306 1 15 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.141 -0.101 18281 12307 1 15 . 1 1 141 141 ALA C C 141 179.530 179.530 179.653 -0.123 18281 12308 1 15 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.024 -0.004 18281 12309 1 15 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.363 0.017 18281 12310 1 15 . 1 1 141 141 ALA H H 141 7.730 7.730 7.858 -0.128 18281 12311 1 15 . 1 1 142 142 ALA N N 142 120.440 120.440 121.488 -1.048 18281 12312 1 15 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.082 -0.202 18281 12313 1 15 . 1 1 142 142 ALA C C 142 180.080 180.080 179.043 1.037 18281 12314 1 15 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.259 -0.359 18281 12315 1 15 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.326 -0.096 18281 12316 1 15 . 1 1 142 142 ALA H H 142 8.280 8.280 8.378 -0.098 18281 12317 1 15 . 1 1 143 143 HIS N N 143 118.280 118.280 118.751 -0.471 18281 12318 1 15 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.305 0.045 18281 12319 1 15 . 1 1 143 143 HIS C C 143 177.350 177.350 177.589 -0.239 18281 12320 1 15 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.698 -0.268 18281 12321 1 15 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.883 0.867 18281 12322 1 15 . 1 1 143 143 HIS H H 143 8.030 8.030 8.434 -0.404 18281 12323 1 15 . 1 1 144 144 LEU N N 144 118.820 118.820 119.840 -1.020 18281 12324 1 15 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.728 0.182 18281 12325 1 15 . 1 1 144 144 LEU C C 144 179.040 179.040 178.784 0.256 18281 12326 1 15 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.946 0.135 18281 12327 1 15 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.448 -0.488 18281 12328 1 15 . 1 1 144 144 LEU H H 144 7.700 7.700 7.715 -0.015 18281 12329 1 15 . 1 1 145 145 PHE N N 145 116.920 116.920 117.854 -0.934 18281 12330 1 15 . 1 1 145 145 PHE HA H 145 4.000 4.000 3.959 0.040 18281 12331 1 15 . 1 1 145 145 PHE C C 145 177.900 177.900 177.871 0.029 18281 12332 1 15 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.372 -0.222 18281 12333 1 15 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.917 -0.167 18281 12334 1 15 . 1 1 145 145 PHE H H 145 8.100 8.100 7.938 0.162 18281 12335 1 15 . 1 1 146 146 LYS N N 146 119.710 119.710 120.206 -0.496 18281 12336 1 15 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.922 0.208 18281 12337 1 15 . 1 1 146 146 LYS C C 146 177.750 177.750 178.641 -0.891 18281 12338 1 15 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.998 -1.099 18281 12339 1 15 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.273 0.007 18281 12340 1 15 . 1 1 146 146 LYS H H 146 8.040 8.040 7.559 0.481 18281 12341 1 15 . 1 1 147 147 LEU N N 147 118.970 118.970 119.865 -0.895 18281 12342 1 15 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.957 0.043 18281 12343 1 15 . 1 1 147 147 LEU C C 147 180.460 180.460 179.081 1.379 18281 12344 1 15 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.739 -0.269 18281 12345 1 15 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.775 0.625 18281 12346 1 15 . 1 1 147 147 LEU H H 147 7.960 7.960 7.492 0.468 18281 12347 1 15 . 1 1 148 148 ILE N N 148 121.410 121.410 120.005 1.405 18281 12348 1 15 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.517 0.023 18281 12349 1 15 . 1 1 148 148 ILE C C 148 177.030 177.030 178.139 -1.109 18281 12350 1 15 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.897 -0.497 18281 12351 1 15 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.459 0.231 18281 12352 1 15 . 1 1 148 148 ILE H H 148 8.200 8.200 8.446 -0.246 18281 12353 1 15 . 1 1 149 149 GLU N N 149 120.450 120.450 119.283 1.167 18281 12354 1 15 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.045 -0.365 18281 12355 1 15 . 1 1 149 149 GLU C C 149 178.540 178.540 179.545 -1.005 18281 12356 1 15 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.742 0.577 18281 12357 1 15 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.348 -0.518 18281 12358 1 15 . 1 1 149 149 GLU H H 149 8.680 8.680 8.045 0.635 18281 12359 1 15 . 1 1 150 150 GLY N N 150 104.450 104.450 107.810 -3.360 18281 12360 1 15 . 1 1 150 150 GLY C C 150 175.670 175.670 175.770 -0.100 18281 12361 1 15 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.872 0.378 18281 12362 1 15 . 1 1 150 150 GLY H H 150 8.180 8.180 7.972 0.208 18281 12363 1 15 . 1 1 151 151 TYR N N 151 122.120 122.120 124.471 -2.351 18281 12364 1 15 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.147 0.233 18281 12365 1 15 . 1 1 151 151 TYR C C 151 179.360 179.360 177.729 1.631 18281 12366 1 15 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.008 0.312 18281 12367 1 15 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.615 -2.225 18281 12368 1 15 . 1 1 151 151 TYR H H 151 7.910 7.910 8.508 -0.598 18281 12369 1 15 . 1 1 152 152 LEU N N 152 120.020 120.020 117.831 2.189 18281 12370 1 15 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.923 0.107 18281 12371 1 15 . 1 1 152 152 LEU C C 152 180.320 180.320 178.594 1.726 18281 12372 1 15 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.581 0.179 18281 12373 1 15 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.838 -0.838 18281 12374 1 15 . 1 1 152 152 LEU H H 152 8.630 8.630 7.987 0.643 18281 12375 1 15 . 1 1 153 153 LYS N N 153 119.730 119.730 118.757 0.973 18281 12376 1 15 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.033 -0.063 18281 12377 1 15 . 1 1 153 153 LYS C C 153 178.150 178.150 178.631 -0.481 18281 12378 1 15 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.017 0.383 18281 12379 1 15 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.548 -0.199 18281 12380 1 15 . 1 1 153 153 LYS H H 153 8.260 8.260 7.869 0.391 18281 12381 1 15 . 1 1 154 154 ASP N N 154 117.020 117.020 117.026 -0.006 18281 12382 1 15 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.451 -0.451 18281 12383 1 15 . 1 1 154 154 ASP C C 154 175.660 175.660 176.360 -0.700 18281 12384 1 15 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.674 -0.644 18281 12385 1 15 . 1 1 154 154 ASP H H 154 7.560 7.560 8.103 -0.543 18281 12386 1 15 . 1 1 155 155 HIS N N 155 117.160 117.160 119.189 -2.029 18281 12387 1 15 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.213 0.687 18281 12388 1 15 . 1 1 155 155 HIS CA C 155 54.150 54.150 54.977 -0.827 18281 12389 1 15 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.600 -1.610 18281 12390 1 15 . 1 1 155 155 HIS H H 155 7.430 7.430 7.599 -0.169 18281 12391 1 16 . 1 1 3 3 VAL N N 3 119.910 119.910 121.966 -2.056 18281 12392 1 16 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.176 0.744 18281 12393 1 16 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.264 -0.244 18281 12394 1 16 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.853 1.277 18281 12395 1 16 . 1 1 3 3 VAL H H 3 7.630 7.630 7.652 -0.022 18281 12396 1 16 . 1 1 4 4 TYR N N 4 119.930 119.930 124.744 -4.814 18281 12397 1 16 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.780 -0.110 18281 12398 1 16 . 1 1 4 4 TYR C C 4 174.670 174.670 175.555 -0.885 18281 12399 1 16 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.072 0.398 18281 12400 1 16 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.804 0.466 18281 12401 1 16 . 1 1 4 4 TYR H H 4 8.660 8.660 8.391 0.269 18281 12402 1 16 . 1 1 5 5 THR N N 5 119.930 119.930 117.122 2.808 18281 12403 1 16 . 1 1 5 5 THR HA H 5 5.290 5.290 4.769 0.521 18281 12404 1 16 . 1 1 5 5 THR C C 5 173.180 173.180 173.484 -0.304 18281 12405 1 16 . 1 1 5 5 THR CA C 5 61.780 61.780 62.264 -0.484 18281 12406 1 16 . 1 1 5 5 THR CB C 5 70.360 70.360 69.847 0.514 18281 12407 1 16 . 1 1 5 5 THR H H 5 8.230 8.230 8.450 -0.220 18281 12408 1 16 . 1 1 6 6 TYR N N 6 125.060 125.060 126.506 -1.446 18281 12409 1 16 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.814 0.476 18281 12410 1 16 . 1 1 6 6 TYR C C 6 174.380 174.380 173.327 1.053 18281 12411 1 16 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.837 0.272 18281 12412 1 16 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.335 -0.485 18281 12413 1 16 . 1 1 6 6 TYR H H 6 9.210 9.210 8.541 0.669 18281 12414 1 16 . 1 1 7 7 GLU N N 7 122.360 122.360 126.793 -4.433 18281 12415 1 16 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.692 0.668 18281 12416 1 16 . 1 1 7 7 GLU C C 7 175.390 175.390 174.446 0.944 18281 12417 1 16 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.521 0.459 18281 12418 1 16 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.516 0.534 18281 12419 1 16 . 1 1 7 7 GLU H H 7 8.830 8.830 7.948 0.882 18281 12420 1 16 . 1 1 8 8 ASN N N 8 119.960 119.960 123.299 -3.339 18281 12421 1 16 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.058 0.042 18281 12422 1 16 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.657 -0.037 18281 12423 1 16 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.916 1.294 18281 12424 1 16 . 1 1 8 8 ASN H H 8 8.800 8.800 9.089 -0.289 18281 12425 1 16 . 1 1 9 9 GLU N N 9 121.420 121.420 125.804 -4.384 18281 12426 1 16 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.747 0.853 18281 12427 1 16 . 1 1 9 9 GLU C C 9 174.590 174.590 175.080 -0.490 18281 12428 1 16 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.844 -1.074 18281 12429 1 16 . 1 1 9 9 GLU CB C 9 33.750 33.750 30.946 2.804 18281 12430 1 16 . 1 1 9 9 GLU H H 9 8.330 8.330 8.779 -0.449 18281 12431 1 16 . 1 1 10 10 PHE N N 10 121.240 121.240 125.833 -4.593 18281 12432 1 16 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.838 0.182 18281 12433 1 16 . 1 1 10 10 PHE C C 10 173.880 173.880 173.661 0.219 18281 12434 1 16 . 1 1 10 10 PHE CA C 10 55.550 55.550 56.917 -1.367 18281 12435 1 16 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.618 -1.148 18281 12436 1 16 . 1 1 10 10 PHE H H 10 8.760 8.760 9.304 -0.544 18281 12437 1 16 . 1 1 11 11 THR N N 11 113.110 113.110 119.108 -5.998 18281 12438 1 16 . 1 1 11 11 THR HA H 11 5.170 5.170 4.846 0.324 18281 12439 1 16 . 1 1 11 11 THR C C 11 173.530 173.530 173.624 -0.094 18281 12440 1 16 . 1 1 11 11 THR CA C 11 60.940 60.940 60.547 0.393 18281 12441 1 16 . 1 1 11 11 THR CB C 11 71.260 71.260 70.182 1.078 18281 12442 1 16 . 1 1 11 11 THR H H 11 8.470 8.470 7.761 0.709 18281 12443 1 16 . 1 1 12 12 SER N N 12 115.490 115.490 117.505 -2.015 18281 12444 1 16 . 1 1 12 12 SER C C 12 173.530 173.530 172.792 0.738 18281 12445 1 16 . 1 1 12 12 SER CA C 12 56.460 56.460 56.994 -0.534 18281 12446 1 16 . 1 1 12 12 SER CB C 12 66.320 66.320 66.823 -0.503 18281 12447 1 16 . 1 1 12 12 SER H H 12 8.870 8.870 9.025 -0.155 18281 12448 1 16 . 1 1 13 13 ASP N N 13 126.650 126.650 122.074 4.576 18281 12449 1 16 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.634 0.106 18281 12450 1 16 . 1 1 13 13 ASP C C 13 174.520 174.520 176.824 -2.304 18281 12451 1 16 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.571 0.459 18281 12452 1 16 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.412 -0.412 18281 12453 1 16 . 1 1 13 13 ASP H H 13 9.060 9.060 8.566 0.494 18281 12454 1 16 . 1 1 14 14 ILE N N 14 123.580 123.580 116.802 6.778 18281 12455 1 16 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.957 0.393 18281 12456 1 16 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.451 -4.061 18281 12457 1 16 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.822 -0.482 18281 12458 1 16 . 1 1 14 14 ILE H H 14 8.470 8.470 8.275 0.195 18281 12459 1 16 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.640 -0.200 18281 12460 1 16 . 1 1 15 15 PRO C C 15 177.130 177.130 177.764 -0.634 18281 12461 1 16 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.712 0.358 18281 12462 1 16 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.505 0.945 18281 12463 1 16 . 1 1 16 16 ALA N N 16 126.780 126.780 126.218 0.562 18281 12464 1 16 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.014 -0.014 18281 12465 1 16 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.030 0.070 18281 12466 1 16 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.142 0.158 18281 12467 1 16 . 1 1 16 16 ALA H H 16 8.570 8.570 8.543 0.028 18281 12468 1 16 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.443 -0.543 18281 12469 1 16 . 1 1 17 17 PRO C C 17 179.610 179.610 179.275 0.335 18281 12470 1 16 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.388 0.622 18281 12471 1 16 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.327 -0.427 18281 12472 1 16 . 1 1 18 18 LYS N N 18 116.630 116.630 118.908 -2.278 18281 12473 1 16 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.220 -0.080 18281 12474 1 16 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.575 -0.305 18281 12475 1 16 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.883 0.437 18281 12476 1 16 . 1 1 18 18 LYS H H 18 6.710 6.710 8.049 -1.339 18281 12477 1 16 . 1 1 19 19 LEU N N 19 118.930 118.930 120.284 -1.354 18281 12478 1 16 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.287 -0.447 18281 12479 1 16 . 1 1 19 19 LEU C C 19 178.380 178.380 178.215 0.165 18281 12480 1 16 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.810 0.620 18281 12481 1 16 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.976 0.114 18281 12482 1 16 . 1 1 19 19 LEU H H 19 7.950 7.950 8.404 -0.454 18281 12483 1 16 . 1 1 20 20 PHE N N 20 118.660 118.660 120.696 -2.036 18281 12484 1 16 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.260 -0.410 18281 12485 1 16 . 1 1 20 20 PHE C C 20 177.680 177.680 177.031 0.649 18281 12486 1 16 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.859 1.021 18281 12487 1 16 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.414 0.006 18281 12488 1 16 . 1 1 20 20 PHE H H 20 9.040 9.040 8.494 0.546 18281 12489 1 16 . 1 1 21 21 LYS N N 21 118.430 118.430 119.069 -0.639 18281 12490 1 16 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.991 -0.221 18281 12491 1 16 . 1 1 21 21 LYS C C 21 176.400 176.400 178.812 -2.412 18281 12492 1 16 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.860 0.300 18281 12493 1 16 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.398 0.602 18281 12494 1 16 . 1 1 21 21 LYS H H 21 7.630 7.630 8.340 -0.710 18281 12495 1 16 . 1 1 22 22 ALA N N 22 118.710 118.710 121.001 -2.291 18281 12496 1 16 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.342 0.428 18281 12497 1 16 . 1 1 22 22 ALA C C 22 175.450 175.450 178.490 -3.040 18281 12498 1 16 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.412 1.128 18281 12499 1 16 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.572 1.628 18281 12500 1 16 . 1 1 22 22 ALA H H 22 7.390 7.390 7.451 -0.061 18281 12501 1 16 . 1 1 23 23 PHE N N 23 109.720 109.720 116.673 -6.953 18281 12502 1 16 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.150 0.090 18281 12503 1 16 . 1 1 23 23 PHE C C 23 174.130 174.130 175.087 -0.957 18281 12504 1 16 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.117 -1.797 18281 12505 1 16 . 1 1 23 23 PHE CB C 23 40.440 40.440 39.743 0.697 18281 12506 1 16 . 1 1 23 23 PHE H H 23 8.400 8.400 7.718 0.682 18281 12507 1 16 . 1 1 24 24 VAL N N 24 113.250 113.250 115.214 -1.964 18281 12508 1 16 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.316 0.004 18281 12509 1 16 . 1 1 24 24 VAL C C 24 177.660 177.660 176.703 0.957 18281 12510 1 16 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.171 0.329 18281 12511 1 16 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.805 -1.925 18281 12512 1 16 . 1 1 24 24 VAL H H 24 7.220 7.220 7.057 0.163 18281 12513 1 16 . 1 1 25 25 LEU N N 25 116.250 116.250 119.290 -3.040 18281 12514 1 16 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.028 -0.138 18281 12515 1 16 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.464 0.446 18281 12516 1 16 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.824 -0.824 18281 12517 1 16 . 1 1 25 25 LEU H H 25 7.180 7.180 7.932 -0.752 18281 12518 1 16 . 1 1 26 26 ASP N N 26 117.160 117.160 115.592 1.568 18281 12519 1 16 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.658 0.642 18281 12520 1 16 . 1 1 26 26 ASP C C 26 177.300 177.300 176.386 0.914 18281 12521 1 16 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.003 -0.833 18281 12522 1 16 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.431 2.489 18281 12523 1 16 . 1 1 26 26 ASP H H 26 8.070 8.070 7.565 0.505 18281 12524 1 16 . 1 1 27 27 ALA N N 27 123.040 123.040 122.296 0.744 18281 12525 1 16 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.685 0.075 18281 12526 1 16 . 1 1 27 27 ALA C C 27 178.900 178.900 178.665 0.235 18281 12527 1 16 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.859 1.181 18281 12528 1 16 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.379 1.051 18281 12529 1 16 . 1 1 27 27 ALA H H 27 6.360 6.360 6.890 -0.530 18281 12530 1 16 . 1 1 28 28 ASP N N 28 115.060 115.060 116.403 -1.343 18281 12531 1 16 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.261 -0.281 18281 12532 1 16 . 1 1 28 28 ASP C C 28 175.850 175.850 176.703 -0.853 18281 12533 1 16 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.725 -1.185 18281 12534 1 16 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.489 -0.849 18281 12535 1 16 . 1 1 28 28 ASP H H 28 8.290 8.290 8.547 -0.257 18281 12536 1 16 . 1 1 29 29 ASN N N 29 113.110 113.110 116.088 -2.978 18281 12537 1 16 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.665 0.065 18281 12538 1 16 . 1 1 29 29 ASN C C 29 176.430 176.430 176.724 -0.294 18281 12539 1 16 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.398 -0.788 18281 12540 1 16 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.910 0.350 18281 12541 1 16 . 1 1 29 29 ASN H H 29 7.360 7.360 7.175 0.185 18281 12542 1 16 . 1 1 30 30 LEU N N 30 120.630 120.630 122.346 -1.716 18281 12543 1 16 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.684 0.336 18281 12544 1 16 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.833 -0.033 18281 12545 1 16 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.538 1.242 18281 12546 1 16 . 1 1 30 30 LEU H H 30 8.320 8.320 8.595 -0.275 18281 12547 1 16 . 1 1 31 31 ILE N N 31 116.170 116.170 119.352 -3.182 18281 12548 1 16 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.588 0.062 18281 12549 1 16 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.337 -0.537 18281 12550 1 16 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.281 -1.371 18281 12551 1 16 . 1 1 31 31 ILE H H 31 8.140 8.140 7.278 0.862 18281 12552 1 16 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.202 0.318 18281 12553 1 16 . 1 1 32 32 PRO C C 32 177.680 177.680 177.894 -0.214 18281 12554 1 16 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.677 0.843 18281 12555 1 16 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.102 0.418 18281 12556 1 16 . 1 1 33 33 LYS N N 33 112.410 112.410 117.921 -5.511 18281 12557 1 16 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.144 0.006 18281 12558 1 16 . 1 1 33 33 LYS C C 33 178.220 178.220 178.329 -0.109 18281 12559 1 16 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.592 -0.302 18281 12560 1 16 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.409 0.501 18281 12561 1 16 . 1 1 33 33 LYS H H 33 6.880 6.880 7.484 -0.604 18281 12562 1 16 . 1 1 34 34 ILE N N 34 112.260 112.260 117.188 -4.928 18281 12563 1 16 . 1 1 34 34 ILE HA H 34 4.320 4.320 4.017 0.303 18281 12564 1 16 . 1 1 34 34 ILE C C 34 175.920 175.920 176.344 -0.424 18281 12565 1 16 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.465 -1.645 18281 12566 1 16 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.597 0.753 18281 12567 1 16 . 1 1 34 34 ILE H H 34 7.560 7.560 7.528 0.032 18281 12568 1 16 . 1 1 35 35 ALA N N 35 124.420 124.420 121.501 2.919 18281 12569 1 16 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.869 0.101 18281 12570 1 16 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.691 0.669 18281 12571 1 16 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.224 0.035 18281 12572 1 16 . 1 1 35 35 ALA H H 35 8.820 8.820 7.373 1.447 18281 12573 1 16 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.486 0.244 18281 12574 1 16 . 1 1 36 36 PRO C C 36 177.890 177.890 177.924 -0.034 18281 12575 1 16 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.658 -0.418 18281 12576 1 16 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.458 -0.778 18281 12577 1 16 . 1 1 37 37 GLN N N 37 115.580 115.580 118.523 -2.943 18281 12578 1 16 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.130 0.120 18281 12579 1 16 . 1 1 37 37 GLN C C 37 177.740 177.740 176.597 1.143 18281 12580 1 16 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.054 -0.744 18281 12581 1 16 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.869 -0.348 18281 12582 1 16 . 1 1 37 37 GLN H H 37 8.660 8.660 8.469 0.191 18281 12583 1 16 . 1 1 38 38 ALA N N 38 123.250 123.250 120.161 3.089 18281 12584 1 16 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.478 -0.088 18281 12585 1 16 . 1 1 38 38 ALA C C 38 177.850 177.850 177.387 0.463 18281 12586 1 16 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.080 0.420 18281 12587 1 16 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.408 0.422 18281 12588 1 16 . 1 1 38 38 ALA H H 38 8.030 8.030 7.893 0.137 18281 12589 1 16 . 1 1 39 39 VAL N N 39 117.330 117.330 115.058 2.272 18281 12590 1 16 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.313 -0.183 18281 12591 1 16 . 1 1 39 39 VAL C C 39 172.750 172.750 174.498 -1.748 18281 12592 1 16 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.462 1.988 18281 12593 1 16 . 1 1 39 39 VAL CB C 39 32.630 32.630 35.313 -2.683 18281 12594 1 16 . 1 1 39 39 VAL H H 39 7.660 7.660 7.406 0.254 18281 12595 1 16 . 1 1 40 40 LYS N N 40 125.270 125.270 125.292 -0.022 18281 12596 1 16 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.294 0.166 18281 12597 1 16 . 1 1 40 40 LYS C C 40 177.240 177.240 176.640 0.600 18281 12598 1 16 . 1 1 40 40 LYS CA C 40 57.450 57.450 59.104 -1.654 18281 12599 1 16 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.123 0.876 18281 12600 1 16 . 1 1 40 40 LYS H H 40 8.910 8.910 7.969 0.941 18281 12601 1 16 . 1 1 41 41 CYS N N 41 112.210 112.210 115.749 -3.539 18281 12602 1 16 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.404 0.156 18281 12603 1 16 . 1 1 41 41 CYS C C 41 170.900 170.900 172.653 -1.753 18281 12604 1 16 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.885 -1.865 18281 12605 1 16 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.548 -0.748 18281 12606 1 16 . 1 1 41 41 CYS H H 41 7.680 7.680 7.929 -0.249 18281 12607 1 16 . 1 1 42 42 ALA N N 42 125.620 125.620 126.704 -1.084 18281 12608 1 16 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.528 0.692 18281 12609 1 16 . 1 1 42 42 ALA C C 42 175.690 175.690 176.154 -0.464 18281 12610 1 16 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.284 -0.304 18281 12611 1 16 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.615 2.385 18281 12612 1 16 . 1 1 42 42 ALA H H 42 8.700 8.700 8.624 0.076 18281 12613 1 16 . 1 1 43 43 GLU N N 43 120.730 120.730 123.902 -3.172 18281 12614 1 16 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.683 -0.023 18281 12615 1 16 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.542 -0.173 18281 12616 1 16 . 1 1 43 43 GLU CB C 43 34.120 34.120 32.805 1.315 18281 12617 1 16 . 1 1 43 43 GLU H H 43 8.810 8.810 8.292 0.518 18281 12618 1 16 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.569 -0.529 18281 12619 1 16 . 1 1 44 44 ILE C C 44 176.190 176.190 175.948 0.242 18281 12620 1 16 . 1 1 44 44 ILE CA C 44 61.990 61.990 59.206 2.784 18281 12621 1 16 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.329 -0.549 18281 12622 1 16 . 1 1 45 45 LEU N N 45 129.030 129.030 127.543 1.487 18281 12623 1 16 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.317 0.133 18281 12624 1 16 . 1 1 45 45 LEU C C 45 177.270 177.270 176.837 0.433 18281 12625 1 16 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.126 -0.116 18281 12626 1 16 . 1 1 45 45 LEU CB C 45 42.480 42.480 43.294 -0.814 18281 12627 1 16 . 1 1 45 45 LEU H H 45 9.090 9.090 8.862 0.228 18281 12628 1 16 . 1 1 46 46 GLU N N 46 116.640 116.640 115.771 0.869 18281 12629 1 16 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.517 0.093 18281 12630 1 16 . 1 1 46 46 GLU C C 46 174.840 174.840 175.853 -1.013 18281 12631 1 16 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.792 -0.182 18281 12632 1 16 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.921 0.649 18281 12633 1 16 . 1 1 46 46 GLU H H 46 7.700 7.700 7.526 0.174 18281 12634 1 16 . 1 1 47 47 GLY N N 47 110.230 110.230 112.362 -2.132 18281 12635 1 16 . 1 1 47 47 GLY C C 47 173.630 173.630 173.761 -0.131 18281 12636 1 16 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.435 -0.755 18281 12637 1 16 . 1 1 47 47 GLY H H 47 8.620 8.620 8.810 -0.190 18281 12638 1 16 . 1 1 48 48 ASP N N 48 115.220 115.220 120.889 -5.669 18281 12639 1 16 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.323 0.447 18281 12640 1 16 . 1 1 48 48 ASP C C 48 177.340 177.340 176.018 1.322 18281 12641 1 16 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.819 -1.899 18281 12642 1 16 . 1 1 48 48 ASP CB C 48 41.680 41.680 38.885 2.795 18281 12643 1 16 . 1 1 48 48 ASP H H 48 7.960 7.960 8.421 -0.461 18281 12644 1 16 . 1 1 49 49 GLY N N 49 110.900 110.900 103.060 7.840 18281 12645 1 16 . 1 1 49 49 GLY C C 49 174.750 174.750 174.194 0.556 18281 12646 1 16 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.131 0.179 18281 12647 1 16 . 1 1 49 49 GLY H H 49 8.750 8.750 8.546 0.204 18281 12648 1 16 . 1 1 50 50 GLY N N 50 107.020 107.020 108.142 -1.122 18281 12649 1 16 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.821 0.779 18281 12650 1 16 . 1 1 50 50 GLY H H 50 8.300 8.300 8.249 0.051 18281 12651 1 16 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.263 -0.303 18281 12652 1 16 . 1 1 51 51 PRO C C 51 176.780 176.780 177.746 -0.966 18281 12653 1 16 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.642 1.358 18281 12654 1 16 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.686 0.184 18281 12655 1 16 . 1 1 52 52 GLY N N 52 114.320 114.320 114.120 0.200 18281 12656 1 16 . 1 1 52 52 GLY C C 52 174.170 174.170 174.248 -0.078 18281 12657 1 16 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.786 -1.106 18281 12658 1 16 . 1 1 52 52 GLY H H 52 9.240 9.240 8.562 0.678 18281 12659 1 16 . 1 1 53 53 THR N N 53 118.900 118.900 116.095 2.805 18281 12660 1 16 . 1 1 53 53 THR HA H 53 4.660 4.660 4.569 0.091 18281 12661 1 16 . 1 1 53 53 THR C C 53 173.510 173.510 174.210 -0.700 18281 12662 1 16 . 1 1 53 53 THR CA C 53 64.580 64.580 63.986 0.594 18281 12663 1 16 . 1 1 53 53 THR CB C 53 70.070 70.070 70.182 -0.112 18281 12664 1 16 . 1 1 53 53 THR H H 53 7.910 7.910 7.419 0.491 18281 12665 1 16 . 1 1 54 54 ILE N N 54 124.830 124.830 124.827 0.003 18281 12666 1 16 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.638 0.672 18281 12667 1 16 . 1 1 54 54 ILE C C 54 175.260 175.260 175.224 0.036 18281 12668 1 16 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.703 1.167 18281 12669 1 16 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.360 1.090 18281 12670 1 16 . 1 1 54 54 ILE H H 54 8.550 8.550 8.409 0.141 18281 12671 1 16 . 1 1 55 55 LYS N N 55 126.970 126.970 125.652 1.318 18281 12672 1 16 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.041 0.259 18281 12673 1 16 . 1 1 55 55 LYS C C 55 173.950 173.950 175.509 -1.559 18281 12674 1 16 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.700 -0.870 18281 12675 1 16 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.725 1.005 18281 12676 1 16 . 1 1 55 55 LYS H H 55 9.400 9.400 9.283 0.117 18281 12677 1 16 . 1 1 56 56 LYS N N 56 124.220 124.220 124.921 -0.701 18281 12678 1 16 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.732 0.548 18281 12679 1 16 . 1 1 56 56 LYS C C 56 175.230 175.230 174.184 1.046 18281 12680 1 16 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.578 -0.788 18281 12681 1 16 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.302 -0.242 18281 12682 1 16 . 1 1 56 56 LYS H H 56 9.360 9.360 9.088 0.272 18281 12683 1 16 . 1 1 57 57 ILE N N 57 132.380 132.380 126.767 5.613 18281 12684 1 16 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.388 0.252 18281 12685 1 16 . 1 1 57 57 ILE C C 57 174.840 174.840 174.589 0.251 18281 12686 1 16 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.149 0.331 18281 12687 1 16 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.488 -2.218 18281 12688 1 16 . 1 1 57 57 ILE H H 57 9.240 9.240 8.994 0.246 18281 12689 1 16 . 1 1 58 58 THR N N 58 122.310 122.310 122.085 0.225 18281 12690 1 16 . 1 1 58 58 THR HA H 58 5.180 5.180 4.639 0.541 18281 12691 1 16 . 1 1 58 58 THR C C 58 174.260 174.260 173.238 1.022 18281 12692 1 16 . 1 1 58 58 THR CA C 58 61.720 61.720 61.600 0.120 18281 12693 1 16 . 1 1 58 58 THR CB C 58 70.640 70.640 70.202 0.438 18281 12694 1 16 . 1 1 58 58 THR H H 58 8.720 8.720 8.347 0.373 18281 12695 1 16 . 1 1 59 59 PHE N N 59 124.570 124.570 125.791 -1.221 18281 12696 1 16 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.761 0.259 18281 12697 1 16 . 1 1 59 59 PHE C C 59 174.510 174.510 176.293 -1.783 18281 12698 1 16 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.258 -0.808 18281 12699 1 16 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.092 0.918 18281 12700 1 16 . 1 1 59 59 PHE H H 59 8.570 8.570 8.239 0.331 18281 12701 1 16 . 1 1 60 60 GLY N N 60 104.600 104.600 111.849 -7.249 18281 12702 1 16 . 1 1 60 60 GLY C C 60 173.500 173.500 173.763 -0.263 18281 12703 1 16 . 1 1 60 60 GLY CA C 60 44.830 44.830 45.102 -0.272 18281 12704 1 16 . 1 1 60 60 GLY H H 60 7.800 7.800 8.506 -0.706 18281 12705 1 16 . 1 1 61 61 GLU N N 61 119.400 119.400 120.117 -0.717 18281 12706 1 16 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.413 -0.303 18281 12707 1 16 . 1 1 61 61 GLU CA C 61 56.800 56.800 55.482 1.318 18281 12708 1 16 . 1 1 61 61 GLU CB C 61 30.940 30.940 31.224 -0.284 18281 12709 1 16 . 1 1 61 61 GLU H H 61 8.290 8.290 8.419 -0.129 18281 12710 1 16 . 1 1 62 62 GLY N N 62 110.940 110.940 110.455 0.485 18281 12711 1 16 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.384 0.816 18281 12712 1 16 . 1 1 62 62 GLY H H 62 8.870 8.870 8.706 0.164 18281 12713 1 16 . 1 1 66 66 GLY C C 66 176.930 176.930 172.284 4.646 18281 12714 1 16 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.616 -0.536 18281 12715 1 16 . 1 1 67 67 TYR N N 67 115.490 115.490 117.775 -2.285 18281 12716 1 16 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.705 -0.125 18281 12717 1 16 . 1 1 67 67 TYR C C 67 175.470 175.470 173.416 2.054 18281 12718 1 16 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.166 -0.247 18281 12719 1 16 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.119 0.601 18281 12720 1 16 . 1 1 67 67 TYR H H 67 8.110 8.110 7.720 0.390 18281 12721 1 16 . 1 1 68 68 VAL N N 68 111.980 111.980 122.215 -10.235 18281 12722 1 16 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.499 0.521 18281 12723 1 16 . 1 1 68 68 VAL C C 68 175.480 175.480 175.026 0.454 18281 12724 1 16 . 1 1 68 68 VAL CA C 68 59.500 59.500 61.108 -1.608 18281 12725 1 16 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.374 1.086 18281 12726 1 16 . 1 1 68 68 VAL H H 68 8.840 8.840 8.768 0.072 18281 12727 1 16 . 1 1 69 69 LYS N N 69 118.430 118.430 124.551 -6.121 18281 12728 1 16 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.054 0.646 18281 12729 1 16 . 1 1 69 69 LYS C C 69 175.740 175.740 175.050 0.690 18281 12730 1 16 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.531 0.839 18281 12731 1 16 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.606 0.974 18281 12732 1 16 . 1 1 69 69 LYS H H 69 8.590 8.590 9.048 -0.458 18281 12733 1 16 . 1 1 70 70 HIS N N 70 122.590 122.590 121.471 1.119 18281 12734 1 16 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.489 0.701 18281 12735 1 16 . 1 1 70 70 HIS C C 70 174.590 174.590 173.622 0.968 18281 12736 1 16 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.347 -3.507 18281 12737 1 16 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.668 2.342 18281 12738 1 16 . 1 1 70 70 HIS H H 70 9.160 9.160 8.745 0.415 18281 12739 1 16 . 1 1 71 71 LYS N N 71 122.760 122.760 122.792 -0.032 18281 12740 1 16 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.377 0.113 18281 12741 1 16 . 1 1 71 71 LYS C C 71 175.500 175.500 174.800 0.700 18281 12742 1 16 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.934 0.106 18281 12743 1 16 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.399 -0.529 18281 12744 1 16 . 1 1 71 71 LYS H H 71 9.460 9.460 9.407 0.053 18281 12745 1 16 . 1 1 72 72 ILE N N 72 127.870 127.870 125.961 1.909 18281 12746 1 16 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.258 -0.378 18281 12747 1 16 . 1 1 72 72 ILE C C 72 175.430 175.430 175.761 -0.331 18281 12748 1 16 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.625 1.775 18281 12749 1 16 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.366 -1.326 18281 12750 1 16 . 1 1 72 72 ILE H H 72 9.320 9.320 8.623 0.697 18281 12751 1 16 . 1 1 73 73 HIS N N 73 127.690 127.690 125.749 1.941 18281 12752 1 16 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.606 0.514 18281 12753 1 16 . 1 1 73 73 HIS C C 73 176.240 176.240 174.897 1.343 18281 12754 1 16 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.786 -0.816 18281 12755 1 16 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.725 0.215 18281 12756 1 16 . 1 1 73 73 HIS H H 73 9.080 9.080 8.290 0.790 18281 12757 1 16 . 1 1 74 74 SER N N 74 110.900 110.900 110.868 0.032 18281 12758 1 16 . 1 1 74 74 SER HA H 74 4.760 4.760 4.584 0.176 18281 12759 1 16 . 1 1 74 74 SER C C 74 172.620 172.620 172.030 0.590 18281 12760 1 16 . 1 1 74 74 SER CA C 74 57.880 57.880 57.881 -0.001 18281 12761 1 16 . 1 1 74 74 SER CB C 74 66.790 66.790 65.255 1.535 18281 12762 1 16 . 1 1 74 74 SER H H 74 8.180 8.180 7.626 0.554 18281 12763 1 16 . 1 1 75 75 ILE N N 75 123.780 123.780 116.322 7.458 18281 12764 1 16 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.951 -0.271 18281 12765 1 16 . 1 1 75 75 ILE C C 75 174.010 174.010 174.561 -0.551 18281 12766 1 16 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.787 2.353 18281 12767 1 16 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.085 -0.775 18281 12768 1 16 . 1 1 75 75 ILE H H 75 8.730 8.730 8.227 0.503 18281 12769 1 16 . 1 1 76 76 ASP N N 76 127.280 127.280 126.171 1.109 18281 12770 1 16 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.088 -0.008 18281 12771 1 16 . 1 1 76 76 ASP C C 76 176.680 176.680 176.105 0.575 18281 12772 1 16 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.323 -1.193 18281 12773 1 16 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.644 -0.094 18281 12774 1 16 . 1 1 76 76 ASP H H 76 9.110 9.110 9.106 0.004 18281 12775 1 16 . 1 1 77 77 LYS N N 77 122.400 122.400 123.151 -0.751 18281 12776 1 16 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.799 0.181 18281 12777 1 16 . 1 1 77 77 LYS C C 77 175.980 175.980 177.687 -1.707 18281 12778 1 16 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.760 -2.340 18281 12779 1 16 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.533 0.247 18281 12780 1 16 . 1 1 77 77 LYS H H 77 8.890 8.890 8.749 0.141 18281 12781 1 16 . 1 1 78 78 VAL N N 78 119.300 119.300 117.989 1.311 18281 12782 1 16 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.564 0.096 18281 12783 1 16 . 1 1 78 78 VAL C C 78 176.290 176.290 176.476 -0.186 18281 12784 1 16 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.871 -0.451 18281 12785 1 16 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.748 0.352 18281 12786 1 16 . 1 1 78 78 VAL H H 78 8.110 8.110 7.983 0.127 18281 12787 1 16 . 1 1 79 79 ASN N N 79 114.400 114.400 115.025 -0.625 18281 12788 1 16 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.593 -0.114 18281 12789 1 16 . 1 1 79 79 ASN C C 79 173.670 173.670 174.872 -1.202 18281 12790 1 16 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.057 -0.517 18281 12791 1 16 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.653 1.437 18281 12792 1 16 . 1 1 79 79 ASN H H 79 7.700 7.700 8.050 -0.350 18281 12793 1 16 . 1 1 80 80 HIS N N 80 115.530 115.530 113.081 2.449 18281 12794 1 16 . 1 1 80 80 HIS C C 80 173.450 173.450 173.228 0.222 18281 12795 1 16 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.763 -0.233 18281 12796 1 16 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.692 0.509 18281 12797 1 16 . 1 1 80 80 HIS H H 80 6.980 6.980 7.019 -0.039 18281 12798 1 16 . 1 1 81 81 THR N N 81 109.600 109.600 114.053 -4.453 18281 12799 1 16 . 1 1 81 81 THR HA H 81 5.730 5.730 4.942 0.788 18281 12800 1 16 . 1 1 81 81 THR C C 81 172.980 172.980 172.810 0.170 18281 12801 1 16 . 1 1 81 81 THR CA C 81 60.190 60.190 62.252 -2.062 18281 12802 1 16 . 1 1 81 81 THR CB C 81 71.740 71.740 71.573 0.167 18281 12803 1 16 . 1 1 81 81 THR H H 81 7.990 7.990 7.959 0.031 18281 12804 1 16 . 1 1 82 82 TYR N N 82 125.000 125.000 128.271 -3.271 18281 12805 1 16 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.972 0.728 18281 12806 1 16 . 1 1 82 82 TYR C C 82 173.600 173.600 173.133 0.467 18281 12807 1 16 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.958 -1.628 18281 12808 1 16 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.954 -0.144 18281 12809 1 16 . 1 1 82 82 TYR H H 82 9.300 9.300 9.820 -0.520 18281 12810 1 16 . 1 1 83 83 SER N N 83 121.820 121.820 121.670 0.150 18281 12811 1 16 . 1 1 83 83 SER HA H 83 5.670 5.670 5.002 0.668 18281 12812 1 16 . 1 1 83 83 SER C C 83 173.490 173.490 172.994 0.496 18281 12813 1 16 . 1 1 83 83 SER CA C 83 56.420 56.420 57.250 -0.830 18281 12814 1 16 . 1 1 83 83 SER CB C 83 65.520 65.520 66.317 -0.797 18281 12815 1 16 . 1 1 83 83 SER H H 83 9.090 9.090 7.957 1.133 18281 12816 1 16 . 1 1 84 84 TYR N N 84 122.970 122.970 120.807 2.163 18281 12817 1 16 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.251 -0.021 18281 12818 1 16 . 1 1 84 84 TYR C C 84 172.530 172.530 173.318 -0.788 18281 12819 1 16 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.471 -0.051 18281 12820 1 16 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.725 -0.775 18281 12821 1 16 . 1 1 84 84 TYR H H 84 8.790 8.790 8.993 -0.203 18281 12822 1 16 . 1 1 85 85 SER N N 85 114.200 114.200 113.018 1.182 18281 12823 1 16 . 1 1 85 85 SER HA H 85 5.700 5.700 5.312 0.388 18281 12824 1 16 . 1 1 85 85 SER C C 85 173.180 173.180 172.850 0.330 18281 12825 1 16 . 1 1 85 85 SER CA C 85 57.510 57.510 57.535 -0.025 18281 12826 1 16 . 1 1 85 85 SER CB C 85 65.940 65.940 67.024 -1.084 18281 12827 1 16 . 1 1 85 85 SER H H 85 9.350 9.350 9.498 -0.148 18281 12828 1 16 . 1 1 86 86 LEU N N 86 128.880 128.880 124.416 4.464 18281 12829 1 16 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.908 0.322 18281 12830 1 16 . 1 1 86 86 LEU C C 86 176.230 176.230 176.898 -0.668 18281 12831 1 16 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.532 1.058 18281 12832 1 16 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.471 0.679 18281 12833 1 16 . 1 1 86 86 LEU H H 86 9.900 9.900 8.903 0.997 18281 12834 1 16 . 1 1 87 87 ILE N N 87 115.900 115.900 126.423 -10.523 18281 12835 1 16 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.039 0.891 18281 12836 1 16 . 1 1 87 87 ILE C C 87 176.080 176.080 176.090 -0.010 18281 12837 1 16 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.149 -2.879 18281 12838 1 16 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.921 0.909 18281 12839 1 16 . 1 1 87 87 ILE H H 87 8.180 8.180 9.163 -0.983 18281 12840 1 16 . 1 1 88 88 GLU N N 88 121.920 121.920 116.671 5.249 18281 12841 1 16 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.529 -0.019 18281 12842 1 16 . 1 1 88 88 GLU C C 88 174.020 174.020 174.850 -0.830 18281 12843 1 16 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.895 2.145 18281 12844 1 16 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.085 1.885 18281 12845 1 16 . 1 1 88 88 GLU H H 88 7.650 7.650 7.647 0.003 18281 12846 1 16 . 1 1 89 89 GLY N N 89 111.650 111.650 107.245 4.405 18281 12847 1 16 . 1 1 89 89 GLY C C 89 173.800 173.800 173.240 0.560 18281 12848 1 16 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.941 0.009 18281 12849 1 16 . 1 1 89 89 GLY H H 89 8.830 8.830 8.201 0.629 18281 12850 1 16 . 1 1 90 90 ASP N N 90 119.650 119.650 121.325 -1.675 18281 12851 1 16 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.404 -0.044 18281 12852 1 16 . 1 1 90 90 ASP C C 90 176.570 176.570 177.497 -0.927 18281 12853 1 16 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.370 0.670 18281 12854 1 16 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.881 0.399 18281 12855 1 16 . 1 1 90 90 ASP H H 90 8.430 8.430 8.564 -0.134 18281 12856 1 16 . 1 1 91 91 ALA N N 91 118.530 118.530 119.083 -0.553 18281 12857 1 16 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.149 0.091 18281 12858 1 16 . 1 1 91 91 ALA C C 91 177.740 177.740 178.352 -0.612 18281 12859 1 16 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.928 -0.718 18281 12860 1 16 . 1 1 91 91 ALA CB C 91 19.310 19.310 19.226 0.084 18281 12861 1 16 . 1 1 91 91 ALA H H 91 7.810 7.810 7.946 -0.136 18281 12862 1 16 . 1 1 92 92 LEU N N 92 117.330 117.330 117.179 0.151 18281 12863 1 16 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.117 0.343 18281 12864 1 16 . 1 1 92 92 LEU C C 92 176.210 176.210 177.379 -1.169 18281 12865 1 16 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.476 -1.456 18281 12866 1 16 . 1 1 92 92 LEU CB C 92 40.210 40.210 41.911 -1.701 18281 12867 1 16 . 1 1 92 92 LEU H H 92 7.600 7.600 7.338 0.262 18281 12868 1 16 . 1 1 93 93 SER N N 93 115.780 115.780 113.570 2.210 18281 12869 1 16 . 1 1 93 93 SER HA H 93 4.620 4.620 3.996 0.624 18281 12870 1 16 . 1 1 93 93 SER C C 93 173.970 173.970 174.589 -0.619 18281 12871 1 16 . 1 1 93 93 SER CA C 93 57.730 57.730 59.312 -1.582 18281 12872 1 16 . 1 1 93 93 SER CB C 93 64.920 64.920 63.093 1.827 18281 12873 1 16 . 1 1 93 93 SER H H 93 7.910 7.910 7.662 0.248 18281 12874 1 16 . 1 1 94 94 GLU N N 94 119.400 119.400 119.320 0.080 18281 12875 1 16 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.245 -0.085 18281 12876 1 16 . 1 1 94 94 GLU C C 94 176.570 176.570 176.018 0.552 18281 12877 1 16 . 1 1 94 94 GLU CA C 94 58.700 58.700 56.991 1.709 18281 12878 1 16 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.473 -0.263 18281 12879 1 16 . 1 1 94 94 GLU H H 94 8.850 8.850 8.629 0.221 18281 12880 1 16 . 1 1 95 95 ASN N N 95 113.460 113.460 115.778 -2.318 18281 12881 1 16 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.943 -0.143 18281 12882 1 16 . 1 1 95 95 ASN C C 95 174.070 174.070 174.687 -0.617 18281 12883 1 16 . 1 1 95 95 ASN CA C 95 54.120 54.120 53.844 0.276 18281 12884 1 16 . 1 1 95 95 ASN CB C 95 39.350 39.350 40.971 -1.621 18281 12885 1 16 . 1 1 95 95 ASN H H 95 8.290 8.290 7.544 0.746 18281 12886 1 16 . 1 1 96 96 ILE N N 96 120.610 120.610 121.259 -0.649 18281 12887 1 16 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.226 -0.036 18281 12888 1 16 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.041 -0.112 18281 12889 1 16 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.519 -0.649 18281 12890 1 16 . 1 1 96 96 ILE H H 96 7.770 7.770 8.117 -0.347 18281 12891 1 16 . 1 1 97 97 GLU N N 97 126.670 126.670 125.490 1.180 18281 12892 1 16 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.515 0.275 18281 12893 1 16 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.253 0.947 18281 12894 1 16 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.976 1.974 18281 12895 1 16 . 1 1 97 97 GLU H H 97 8.460 8.460 9.006 -0.546 18281 12896 1 16 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.248 0.462 18281 12897 1 16 . 1 1 98 98 LYS C C 98 173.650 173.650 176.415 -2.765 18281 12898 1 16 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.592 -1.622 18281 12899 1 16 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.158 1.642 18281 12900 1 16 . 1 1 99 99 ILE N N 99 120.290 120.290 118.729 1.561 18281 12901 1 16 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.825 -0.035 18281 12902 1 16 . 1 1 99 99 ILE C C 99 174.690 174.690 174.603 0.087 18281 12903 1 16 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.719 0.580 18281 12904 1 16 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.656 -0.106 18281 12905 1 16 . 1 1 99 99 ILE H H 99 7.720 7.720 8.078 -0.358 18281 12906 1 16 . 1 1 100 100 ASP N N 100 126.970 126.970 126.644 0.326 18281 12907 1 16 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.871 0.229 18281 12908 1 16 . 1 1 100 100 ASP C C 100 174.490 174.490 174.647 -0.157 18281 12909 1 16 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.336 -0.706 18281 12910 1 16 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.292 1.558 18281 12911 1 16 . 1 1 100 100 ASP H H 100 9.220 9.220 8.294 0.926 18281 12912 1 16 . 1 1 101 101 TYR N N 101 120.640 120.640 123.084 -2.444 18281 12913 1 16 . 1 1 101 101 TYR HA H 101 5.280 5.280 5.033 0.247 18281 12914 1 16 . 1 1 101 101 TYR C C 101 175.740 175.740 175.389 0.351 18281 12915 1 16 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.553 0.426 18281 12916 1 16 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.548 0.092 18281 12917 1 16 . 1 1 101 101 TYR H H 101 9.140 9.140 8.959 0.181 18281 12918 1 16 . 1 1 102 102 GLU N N 102 122.040 122.040 121.704 0.336 18281 12919 1 16 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.850 0.280 18281 12920 1 16 . 1 1 102 102 GLU C C 102 175.360 175.360 175.286 0.074 18281 12921 1 16 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.348 0.522 18281 12922 1 16 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.062 -0.992 18281 12923 1 16 . 1 1 102 102 GLU H H 102 8.670 8.670 9.288 -0.618 18281 12924 1 16 . 1 1 103 103 THR N N 103 125.840 125.840 119.628 6.212 18281 12925 1 16 . 1 1 103 103 THR HA H 103 5.580 5.580 5.166 0.414 18281 12926 1 16 . 1 1 103 103 THR C C 103 172.780 172.780 172.781 -0.001 18281 12927 1 16 . 1 1 103 103 THR CA C 103 62.150 62.150 61.665 0.485 18281 12928 1 16 . 1 1 103 103 THR CB C 103 71.750 71.750 71.541 0.209 18281 12929 1 16 . 1 1 103 103 THR H H 103 9.550 9.550 9.237 0.313 18281 12930 1 16 . 1 1 104 104 LYS N N 104 126.990 126.990 127.956 -0.966 18281 12931 1 16 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.822 0.418 18281 12932 1 16 . 1 1 104 104 LYS C C 104 174.300 174.300 174.174 0.126 18281 12933 1 16 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.285 0.046 18281 12934 1 16 . 1 1 104 104 LYS CB C 104 35.940 35.940 35.934 0.006 18281 12935 1 16 . 1 1 104 104 LYS H H 104 9.430 9.430 8.956 0.474 18281 12936 1 16 . 1 1 105 105 LEU N N 105 124.700 124.700 127.527 -2.827 18281 12937 1 16 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.703 0.507 18281 12938 1 16 . 1 1 105 105 LEU C C 105 175.780 175.780 176.109 -0.329 18281 12939 1 16 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.676 0.944 18281 12940 1 16 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.437 0.513 18281 12941 1 16 . 1 1 105 105 LEU H H 105 8.410 8.410 8.743 -0.333 18281 12942 1 16 . 1 1 106 106 VAL N N 106 123.290 123.290 122.960 0.330 18281 12943 1 16 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.389 0.041 18281 12944 1 16 . 1 1 106 106 VAL C C 106 175.560 175.560 174.750 0.810 18281 12945 1 16 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.334 0.136 18281 12946 1 16 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.470 -0.450 18281 12947 1 16 . 1 1 106 106 VAL H H 106 9.180 9.180 9.168 0.012 18281 12948 1 16 . 1 1 107 107 SER N N 107 121.800 121.800 120.107 1.693 18281 12949 1 16 . 1 1 107 107 SER HA H 107 4.660 4.660 4.785 -0.125 18281 12950 1 16 . 1 1 107 107 SER C C 107 173.600 173.600 173.552 0.048 18281 12951 1 16 . 1 1 107 107 SER CA C 107 59.860 59.860 57.026 2.834 18281 12952 1 16 . 1 1 107 107 SER CB C 107 63.250 63.250 64.953 -1.703 18281 12953 1 16 . 1 1 107 107 SER H H 107 8.910 8.910 8.381 0.529 18281 12954 1 16 . 1 1 108 108 ALA N N 108 129.210 129.210 125.618 3.592 18281 12955 1 16 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.905 -0.275 18281 12956 1 16 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.626 0.994 18281 12957 1 16 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.863 -0.063 18281 12958 1 16 . 1 1 108 108 ALA H H 108 8.310 8.310 8.614 -0.304 18281 12959 1 16 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.293 0.127 18281 12960 1 16 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.717 -1.017 18281 12961 1 16 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.622 0.578 18281 12962 1 16 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.521 0.249 18281 12963 1 16 . 1 1 110 110 HIS C C 110 175.760 175.760 176.296 -0.536 18281 12964 1 16 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.367 -0.977 18281 12965 1 16 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.590 -0.180 18281 12966 1 16 . 1 1 111 111 GLY N N 111 108.720 108.720 105.960 2.760 18281 12967 1 16 . 1 1 111 111 GLY C C 111 174.390 174.390 174.118 0.272 18281 12968 1 16 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.203 -0.073 18281 12969 1 16 . 1 1 111 111 GLY H H 111 7.730 7.730 7.746 -0.016 18281 12970 1 16 . 1 1 112 112 GLY N N 112 107.670 107.670 108.917 -1.247 18281 12971 1 16 . 1 1 112 112 GLY C C 112 174.150 174.150 172.867 1.283 18281 12972 1 16 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.365 0.055 18281 12973 1 16 . 1 1 112 112 GLY H H 112 7.600 7.600 8.061 -0.461 18281 12974 1 16 . 1 1 113 113 THR N N 113 119.830 119.830 116.435 3.395 18281 12975 1 16 . 1 1 113 113 THR HA H 113 5.060 5.060 4.951 0.109 18281 12976 1 16 . 1 1 113 113 THR C C 113 173.250 173.250 173.717 -0.467 18281 12977 1 16 . 1 1 113 113 THR CA C 113 62.990 62.990 62.194 0.796 18281 12978 1 16 . 1 1 113 113 THR CB C 113 72.270 72.270 70.693 1.577 18281 12979 1 16 . 1 1 113 113 THR H H 113 9.070 9.070 8.076 0.994 18281 12980 1 16 . 1 1 114 114 ILE N N 114 127.600 127.600 127.380 0.220 18281 12981 1 16 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.607 -0.097 18281 12982 1 16 . 1 1 114 114 ILE C C 114 174.370 174.370 174.535 -0.165 18281 12983 1 16 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.947 0.213 18281 12984 1 16 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.548 0.422 18281 12985 1 16 . 1 1 114 114 ILE H H 114 9.490 9.490 9.221 0.269 18281 12986 1 16 . 1 1 115 115 ILE N N 115 129.200 129.200 126.416 2.784 18281 12987 1 16 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.912 -0.412 18281 12988 1 16 . 1 1 115 115 ILE C C 115 175.000 175.000 174.889 0.111 18281 12989 1 16 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.935 1.464 18281 12990 1 16 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.425 -2.425 18281 12991 1 16 . 1 1 115 115 ILE H H 115 9.220 9.220 8.924 0.296 18281 12992 1 16 . 1 1 116 116 LYS N N 116 127.550 127.550 128.664 -1.114 18281 12993 1 16 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.318 -0.148 18281 12994 1 16 . 1 1 116 116 LYS C C 116 176.300 176.300 175.676 0.624 18281 12995 1 16 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.980 0.390 18281 12996 1 16 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.985 -0.405 18281 12997 1 16 . 1 1 116 116 LYS H H 116 9.130 9.130 8.658 0.472 18281 12998 1 16 . 1 1 117 117 THR N N 117 120.940 120.940 121.668 -0.728 18281 12999 1 16 . 1 1 117 117 THR HA H 117 5.730 5.730 5.534 0.196 18281 13000 1 16 . 1 1 117 117 THR C C 117 174.620 174.620 173.946 0.674 18281 13001 1 16 . 1 1 117 117 THR CA C 117 60.990 60.990 61.118 -0.128 18281 13002 1 16 . 1 1 117 117 THR CB C 117 71.750 71.750 71.392 0.358 18281 13003 1 16 . 1 1 117 117 THR H H 117 9.020 9.020 9.124 -0.104 18281 13004 1 16 . 1 1 118 118 THR N N 118 125.750 125.750 123.473 2.277 18281 13005 1 16 . 1 1 118 118 THR HA H 118 5.170 5.170 5.320 -0.150 18281 13006 1 16 . 1 1 118 118 THR C C 118 173.760 173.760 173.758 0.002 18281 13007 1 16 . 1 1 118 118 THR CA C 118 61.800 61.800 61.610 0.190 18281 13008 1 16 . 1 1 118 118 THR CB C 118 70.720 70.720 71.349 -0.629 18281 13009 1 16 . 1 1 118 118 THR H H 118 9.500 9.500 8.548 0.952 18281 13010 1 16 . 1 1 119 119 SER N N 119 122.250 122.250 119.014 3.236 18281 13011 1 16 . 1 1 119 119 SER HA H 119 5.270 5.270 5.338 -0.068 18281 13012 1 16 . 1 1 119 119 SER C C 119 172.960 172.960 172.312 0.648 18281 13013 1 16 . 1 1 119 119 SER CA C 119 55.860 55.860 57.378 -1.518 18281 13014 1 16 . 1 1 119 119 SER CB C 119 66.720 66.720 66.875 -0.155 18281 13015 1 16 . 1 1 119 119 SER H H 119 9.410 9.410 8.763 0.647 18281 13016 1 16 . 1 1 120 120 LYS N N 120 124.120 124.120 122.729 1.391 18281 13017 1 16 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.523 0.717 18281 13018 1 16 . 1 1 120 120 LYS C C 120 174.780 174.780 174.026 0.754 18281 13019 1 16 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.270 -0.440 18281 13020 1 16 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.294 -0.133 18281 13021 1 16 . 1 1 120 120 LYS H H 120 9.150 9.150 7.963 1.187 18281 13022 1 16 . 1 1 121 121 TYR N N 121 126.500 126.500 124.527 1.973 18281 13023 1 16 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.455 0.545 18281 13024 1 16 . 1 1 121 121 TYR CB C 121 40.200 40.200 39.518 0.682 18281 13025 1 16 . 1 1 121 121 TYR H H 121 9.800 9.800 8.793 1.007 18281 13026 1 16 . 1 1 122 122 HIS C C 122 174.670 174.670 175.211 -0.541 18281 13027 1 16 . 1 1 123 123 THR N N 123 125.750 125.750 113.347 12.403 18281 13028 1 16 . 1 1 123 123 THR HA H 123 5.400 5.400 4.687 0.713 18281 13029 1 16 . 1 1 123 123 THR C C 123 174.460 174.460 173.781 0.679 18281 13030 1 16 . 1 1 123 123 THR CA C 123 60.230 60.230 59.793 0.437 18281 13031 1 16 . 1 1 123 123 THR CB C 123 71.260 71.260 71.562 -0.302 18281 13032 1 16 . 1 1 123 123 THR H H 123 8.920 8.920 8.374 0.546 18281 13033 1 16 . 1 1 124 124 LYS N N 124 121.170 121.170 124.689 -3.519 18281 13034 1 16 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.460 0.300 18281 13035 1 16 . 1 1 124 124 LYS C C 124 176.450 176.450 177.645 -1.195 18281 13036 1 16 . 1 1 124 124 LYS CA C 124 55.510 55.510 57.668 -2.158 18281 13037 1 16 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.993 0.907 18281 13038 1 16 . 1 1 124 124 LYS H H 124 8.590 8.590 8.266 0.324 18281 13039 1 16 . 1 1 125 125 GLY N N 125 110.070 110.070 105.258 4.812 18281 13040 1 16 . 1 1 125 125 GLY C C 125 173.620 173.620 173.103 0.517 18281 13041 1 16 . 1 1 125 125 GLY CA C 125 45.270 45.270 44.986 0.284 18281 13042 1 16 . 1 1 125 125 GLY H H 125 8.390 8.390 8.121 0.269 18281 13043 1 16 . 1 1 126 126 ASP N N 126 120.070 120.070 118.396 1.674 18281 13044 1 16 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.254 0.416 18281 13045 1 16 . 1 1 126 126 ASP C C 126 175.580 175.580 176.478 -0.898 18281 13046 1 16 . 1 1 126 126 ASP CA C 126 54.290 54.290 54.805 -0.515 18281 13047 1 16 . 1 1 126 126 ASP CB C 126 40.360 40.360 38.783 1.577 18281 13048 1 16 . 1 1 126 126 ASP H H 126 8.440 8.440 8.262 0.178 18281 13049 1 16 . 1 1 127 127 VAL N N 127 119.620 119.620 118.231 1.389 18281 13050 1 16 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.631 0.609 18281 13051 1 16 . 1 1 127 127 VAL C C 127 174.610 174.610 175.330 -0.720 18281 13052 1 16 . 1 1 127 127 VAL CA C 127 61.230 61.230 64.403 -3.172 18281 13053 1 16 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.286 1.964 18281 13054 1 16 . 1 1 127 127 VAL H H 127 7.620 7.620 8.460 -0.840 18281 13055 1 16 . 1 1 128 128 GLU N N 128 125.030 125.030 116.970 8.060 18281 13056 1 16 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.128 0.002 18281 13057 1 16 . 1 1 128 128 GLU C C 128 175.680 175.680 174.700 0.980 18281 13058 1 16 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.886 -1.346 18281 13059 1 16 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.139 0.651 18281 13060 1 16 . 1 1 128 128 GLU H H 128 8.330 8.330 7.908 0.422 18281 13061 1 16 . 1 1 129 129 ILE N N 129 124.070 124.070 123.149 0.921 18281 13062 1 16 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.331 -0.371 18281 13063 1 16 . 1 1 129 129 ILE C C 129 175.960 175.960 174.317 1.643 18281 13064 1 16 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.299 0.051 18281 13065 1 16 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.884 -4.204 18281 13066 1 16 . 1 1 129 129 ILE H H 129 7.380 7.380 8.150 -0.770 18281 13067 1 16 . 1 1 130 130 LYS N N 130 127.800 127.800 123.384 4.416 18281 13068 1 16 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.264 0.016 18281 13069 1 16 . 1 1 130 130 LYS C C 130 177.660 177.660 176.898 0.762 18281 13070 1 16 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.909 -0.059 18281 13071 1 16 . 1 1 130 130 LYS CB C 130 32.810 32.810 32.755 0.055 18281 13072 1 16 . 1 1 130 130 LYS H H 130 8.790 8.790 8.683 0.107 18281 13073 1 16 . 1 1 131 131 GLU N N 131 125.060 125.060 127.673 -2.613 18281 13074 1 16 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.828 -0.018 18281 13075 1 16 . 1 1 131 131 GLU C C 131 178.630 178.630 178.198 0.432 18281 13076 1 16 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.340 -0.831 18281 13077 1 16 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.607 -0.307 18281 13078 1 16 . 1 1 131 131 GLU H H 131 8.880 8.880 9.115 -0.235 18281 13079 1 16 . 1 1 132 132 GLU N N 132 117.220 117.220 116.797 0.423 18281 13080 1 16 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.990 -0.010 18281 13081 1 16 . 1 1 132 132 GLU C C 132 178.630 178.630 179.076 -0.446 18281 13082 1 16 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.426 0.184 18281 13083 1 16 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.124 -0.144 18281 13084 1 16 . 1 1 132 132 GLU H H 132 9.200 9.200 8.913 0.287 18281 13085 1 16 . 1 1 133 133 HIS N N 133 119.810 119.810 119.060 0.750 18281 13086 1 16 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.295 0.175 18281 13087 1 16 . 1 1 133 133 HIS C C 133 178.430 178.430 177.980 0.450 18281 13088 1 16 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.295 0.835 18281 13089 1 16 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.872 1.448 18281 13090 1 16 . 1 1 133 133 HIS H H 133 7.500 7.500 7.474 0.026 18281 13091 1 16 . 1 1 134 134 VAL N N 134 120.370 120.370 119.604 0.766 18281 13092 1 16 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.574 0.076 18281 13093 1 16 . 1 1 134 134 VAL C C 134 179.170 179.170 177.476 1.694 18281 13094 1 16 . 1 1 134 134 VAL CA C 134 65.180 65.180 65.494 -0.314 18281 13095 1 16 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.753 0.957 18281 13096 1 16 . 1 1 134 134 VAL H H 134 7.290 7.290 7.991 -0.701 18281 13097 1 16 . 1 1 135 135 LYS N N 135 121.310 121.310 120.270 1.040 18281 13098 1 16 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.855 0.105 18281 13099 1 16 . 1 1 135 135 LYS C C 135 178.310 178.310 178.531 -0.221 18281 13100 1 16 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.861 -0.531 18281 13101 1 16 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.364 -0.184 18281 13102 1 16 . 1 1 135 135 LYS H H 135 8.310 8.310 8.344 -0.034 18281 13103 1 16 . 1 1 136 136 ALA N N 136 121.150 121.150 120.288 0.862 18281 13104 1 16 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.110 0.120 18281 13105 1 16 . 1 1 136 136 ALA C C 136 180.930 180.930 179.584 1.346 18281 13106 1 16 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.071 -0.051 18281 13107 1 16 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.266 -0.516 18281 13108 1 16 . 1 1 136 136 ALA H H 136 7.950 7.950 7.828 0.122 18281 13109 1 16 . 1 1 137 137 GLY N N 137 105.640 105.640 106.650 -1.010 18281 13110 1 16 . 1 1 137 137 GLY C C 137 177.000 177.000 176.042 0.958 18281 13111 1 16 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.961 0.199 18281 13112 1 16 . 1 1 137 137 GLY H H 137 7.930 7.930 7.857 0.073 18281 13113 1 16 . 1 1 138 138 LYS N N 138 124.210 124.210 122.637 1.573 18281 13114 1 16 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.018 0.212 18281 13115 1 16 . 1 1 138 138 LYS C C 138 178.860 178.860 178.864 -0.004 18281 13116 1 16 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.040 -0.250 18281 13117 1 16 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.492 0.177 18281 13118 1 16 . 1 1 138 138 LYS H H 138 7.960 7.960 7.808 0.152 18281 13119 1 16 . 1 1 139 139 GLU N N 139 119.720 119.720 118.727 0.993 18281 13120 1 16 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.832 0.308 18281 13121 1 16 . 1 1 139 139 GLU C C 139 179.710 179.710 178.741 0.969 18281 13122 1 16 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.443 -0.263 18281 13123 1 16 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.494 -0.194 18281 13124 1 16 . 1 1 139 139 GLU H H 139 8.370 8.370 7.958 0.412 18281 13125 1 16 . 1 1 140 140 LYS N N 140 120.270 120.270 120.618 -0.348 18281 13126 1 16 . 1 1 140 140 LYS HA H 140 4.110 4.110 4.204 -0.094 18281 13127 1 16 . 1 1 140 140 LYS C C 140 179.210 179.210 178.756 0.454 18281 13128 1 16 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.853 -0.243 18281 13129 1 16 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.523 -0.143 18281 13130 1 16 . 1 1 140 140 LYS H H 140 8.140 8.140 8.168 -0.028 18281 13131 1 16 . 1 1 141 141 ALA N N 141 121.910 121.910 121.016 0.894 18281 13132 1 16 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.058 -0.018 18281 13133 1 16 . 1 1 141 141 ALA C C 141 179.530 179.530 179.599 -0.069 18281 13134 1 16 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.098 -0.078 18281 13135 1 16 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.234 0.146 18281 13136 1 16 . 1 1 141 141 ALA H H 141 7.730 7.730 8.093 -0.363 18281 13137 1 16 . 1 1 142 142 ALA N N 142 120.440 120.440 120.813 -0.373 18281 13138 1 16 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.959 -0.079 18281 13139 1 16 . 1 1 142 142 ALA C C 142 180.080 180.080 179.556 0.524 18281 13140 1 16 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.016 -0.116 18281 13141 1 16 . 1 1 142 142 ALA CB C 142 18.230 18.230 17.946 0.284 18281 13142 1 16 . 1 1 142 142 ALA H H 142 8.280 8.280 7.930 0.350 18281 13143 1 16 . 1 1 143 143 HIS N N 143 118.280 118.280 117.791 0.489 18281 13144 1 16 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.279 0.071 18281 13145 1 16 . 1 1 143 143 HIS C C 143 177.350 177.350 178.012 -0.662 18281 13146 1 16 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.324 0.106 18281 13147 1 16 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.436 1.315 18281 13148 1 16 . 1 1 143 143 HIS H H 143 8.030 8.030 8.028 0.002 18281 13149 1 16 . 1 1 144 144 LEU N N 144 118.820 118.820 119.870 -1.050 18281 13150 1 16 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.827 0.083 18281 13151 1 16 . 1 1 144 144 LEU C C 144 179.040 179.040 178.788 0.252 18281 13152 1 16 . 1 1 144 144 LEU CA C 144 58.080 58.080 58.017 0.063 18281 13153 1 16 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.332 -0.372 18281 13154 1 16 . 1 1 144 144 LEU H H 144 7.700 7.700 8.045 -0.345 18281 13155 1 16 . 1 1 145 145 PHE N N 145 116.920 116.920 117.511 -0.591 18281 13156 1 16 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.027 -0.027 18281 13157 1 16 . 1 1 145 145 PHE C C 145 177.900 177.900 177.834 0.066 18281 13158 1 16 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.357 -0.207 18281 13159 1 16 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.800 -0.050 18281 13160 1 16 . 1 1 145 145 PHE H H 145 8.100 8.100 7.663 0.437 18281 13161 1 16 . 1 1 146 146 LYS N N 146 119.710 119.710 120.412 -0.702 18281 13162 1 16 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.051 0.079 18281 13163 1 16 . 1 1 146 146 LYS C C 146 177.750 177.750 178.944 -1.194 18281 13164 1 16 . 1 1 146 146 LYS CA C 146 58.900 58.900 60.171 -1.271 18281 13165 1 16 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.456 -0.176 18281 13166 1 16 . 1 1 146 146 LYS H H 146 8.040 8.040 7.664 0.376 18281 13167 1 16 . 1 1 147 147 LEU N N 147 118.970 118.970 119.388 -0.418 18281 13168 1 16 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.044 -0.044 18281 13169 1 16 . 1 1 147 147 LEU C C 147 180.460 180.460 179.115 1.345 18281 13170 1 16 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.859 -0.389 18281 13171 1 16 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.804 0.596 18281 13172 1 16 . 1 1 147 147 LEU H H 147 7.960 7.960 7.760 0.200 18281 13173 1 16 . 1 1 148 148 ILE N N 148 121.410 121.410 120.209 1.201 18281 13174 1 16 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.567 -0.027 18281 13175 1 16 . 1 1 148 148 ILE C C 148 177.030 177.030 178.300 -1.270 18281 13176 1 16 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.740 -0.341 18281 13177 1 16 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.402 0.288 18281 13178 1 16 . 1 1 148 148 ILE H H 148 8.200 8.200 8.230 -0.030 18281 13179 1 16 . 1 1 149 149 GLU N N 149 120.450 120.450 118.708 1.742 18281 13180 1 16 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.091 -0.411 18281 13181 1 16 . 1 1 149 149 GLU C C 149 178.540 178.540 179.758 -1.218 18281 13182 1 16 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.308 1.012 18281 13183 1 16 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.024 -0.194 18281 13184 1 16 . 1 1 149 149 GLU H H 149 8.680 8.680 8.074 0.606 18281 13185 1 16 . 1 1 150 150 GLY N N 150 104.450 104.450 106.984 -2.534 18281 13186 1 16 . 1 1 150 150 GLY C C 150 175.670 175.670 175.979 -0.309 18281 13187 1 16 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.273 0.977 18281 13188 1 16 . 1 1 150 150 GLY H H 150 8.180 8.180 7.973 0.207 18281 13189 1 16 . 1 1 151 151 TYR N N 151 122.120 122.120 124.789 -2.669 18281 13190 1 16 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.148 0.232 18281 13191 1 16 . 1 1 151 151 TYR C C 151 179.360 179.360 177.459 1.901 18281 13192 1 16 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.424 -0.104 18281 13193 1 16 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.778 -2.388 18281 13194 1 16 . 1 1 151 151 TYR H H 151 7.910 7.910 8.615 -0.705 18281 13195 1 16 . 1 1 152 152 LEU N N 152 120.020 120.020 119.277 0.743 18281 13196 1 16 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.259 -0.229 18281 13197 1 16 . 1 1 152 152 LEU C C 152 180.320 180.320 178.741 1.579 18281 13198 1 16 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.666 0.094 18281 13199 1 16 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.981 -0.981 18281 13200 1 16 . 1 1 152 152 LEU H H 152 8.630 8.630 8.114 0.516 18281 13201 1 16 . 1 1 153 153 LYS N N 153 119.730 119.730 119.232 0.498 18281 13202 1 16 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.950 0.020 18281 13203 1 16 . 1 1 153 153 LYS C C 153 178.150 178.150 178.344 -0.194 18281 13204 1 16 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.178 0.222 18281 13205 1 16 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.351 -0.001 18281 13206 1 16 . 1 1 153 153 LYS H H 153 8.260 8.260 7.513 0.747 18281 13207 1 16 . 1 1 154 154 ASP N N 154 117.020 117.020 116.676 0.344 18281 13208 1 16 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.558 -0.558 18281 13209 1 16 . 1 1 154 154 ASP C C 154 175.660 175.660 176.117 -0.457 18281 13210 1 16 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.968 -0.938 18281 13211 1 16 . 1 1 154 154 ASP H H 154 7.560 7.560 8.040 -0.480 18281 13212 1 16 . 1 1 155 155 HIS N N 155 117.160 117.160 119.613 -2.453 18281 13213 1 16 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.955 -0.055 18281 13214 1 16 . 1 1 155 155 HIS CA C 155 54.150 54.150 52.530 1.620 18281 13215 1 16 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.858 -2.868 18281 13216 1 16 . 1 1 155 155 HIS H H 155 7.430 7.430 7.747 -0.317 18281 13217 1 17 . 1 1 3 3 VAL N N 3 119.910 119.910 119.868 0.042 18281 13218 1 17 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.310 0.610 18281 13219 1 17 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.070 -0.050 18281 13220 1 17 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.407 0.723 18281 13221 1 17 . 1 1 3 3 VAL H H 3 7.630 7.630 7.873 -0.243 18281 13222 1 17 . 1 1 4 4 TYR N N 4 119.930 119.930 124.901 -4.971 18281 13223 1 17 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.684 -0.014 18281 13224 1 17 . 1 1 4 4 TYR C C 4 174.670 174.670 175.037 -0.367 18281 13225 1 17 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.439 1.031 18281 13226 1 17 . 1 1 4 4 TYR CB C 4 41.270 41.270 41.179 0.091 18281 13227 1 17 . 1 1 4 4 TYR H H 4 8.660 8.660 8.545 0.115 18281 13228 1 17 . 1 1 5 5 THR N N 5 119.930 119.930 118.540 1.390 18281 13229 1 17 . 1 1 5 5 THR HA H 5 5.290 5.290 5.052 0.238 18281 13230 1 17 . 1 1 5 5 THR C C 5 173.180 173.180 173.269 -0.089 18281 13231 1 17 . 1 1 5 5 THR CA C 5 61.780 61.780 61.467 0.313 18281 13232 1 17 . 1 1 5 5 THR CB C 5 70.360 70.360 70.041 0.319 18281 13233 1 17 . 1 1 5 5 THR H H 5 8.230 8.230 8.265 -0.035 18281 13234 1 17 . 1 1 6 6 TYR N N 6 125.060 125.060 125.431 -0.371 18281 13235 1 17 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.799 0.491 18281 13236 1 17 . 1 1 6 6 TYR C C 6 174.380 174.380 174.194 0.186 18281 13237 1 17 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.926 0.184 18281 13238 1 17 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.845 0.005 18281 13239 1 17 . 1 1 6 6 TYR H H 6 9.210 9.210 8.562 0.648 18281 13240 1 17 . 1 1 7 7 GLU N N 7 122.360 122.360 123.348 -0.988 18281 13241 1 17 . 1 1 7 7 GLU HA H 7 5.360 5.360 5.072 0.288 18281 13242 1 17 . 1 1 7 7 GLU C C 7 175.390 175.390 175.141 0.249 18281 13243 1 17 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.801 0.179 18281 13244 1 17 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.642 0.408 18281 13245 1 17 . 1 1 7 7 GLU H H 7 8.830 8.830 8.755 0.075 18281 13246 1 17 . 1 1 8 8 ASN N N 8 119.960 119.960 124.252 -4.292 18281 13247 1 17 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.068 0.032 18281 13248 1 17 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.309 0.311 18281 13249 1 17 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.435 1.775 18281 13250 1 17 . 1 1 8 8 ASN H H 8 8.800 8.800 9.070 -0.270 18281 13251 1 17 . 1 1 9 9 GLU N N 9 121.420 121.420 124.878 -3.458 18281 13252 1 17 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.608 0.992 18281 13253 1 17 . 1 1 9 9 GLU C C 9 174.590 174.590 175.045 -0.455 18281 13254 1 17 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.672 -0.902 18281 13255 1 17 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.202 2.548 18281 13256 1 17 . 1 1 9 9 GLU H H 9 8.330 8.330 8.758 -0.428 18281 13257 1 17 . 1 1 10 10 PHE N N 10 121.240 121.240 125.153 -3.913 18281 13258 1 17 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.857 0.163 18281 13259 1 17 . 1 1 10 10 PHE C C 10 173.880 173.880 173.162 0.718 18281 13260 1 17 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.448 -1.898 18281 13261 1 17 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.103 -1.633 18281 13262 1 17 . 1 1 10 10 PHE H H 10 8.760 8.760 9.005 -0.245 18281 13263 1 17 . 1 1 11 11 THR N N 11 113.110 113.110 117.316 -4.206 18281 13264 1 17 . 1 1 11 11 THR HA H 11 5.170 5.170 4.797 0.373 18281 13265 1 17 . 1 1 11 11 THR C C 11 173.530 173.530 173.082 0.448 18281 13266 1 17 . 1 1 11 11 THR CA C 11 60.940 60.940 59.981 0.959 18281 13267 1 17 . 1 1 11 11 THR CB C 11 71.260 71.260 70.787 0.473 18281 13268 1 17 . 1 1 11 11 THR H H 11 8.470 8.470 7.383 1.087 18281 13269 1 17 . 1 1 12 12 SER N N 12 115.490 115.490 117.694 -2.204 18281 13270 1 17 . 1 1 12 12 SER C C 12 173.530 173.530 172.861 0.669 18281 13271 1 17 . 1 1 12 12 SER CA C 12 56.460 56.460 57.130 -0.670 18281 13272 1 17 . 1 1 12 12 SER CB C 12 66.320 66.320 65.951 0.369 18281 13273 1 17 . 1 1 12 12 SER H H 12 8.870 8.870 8.832 0.038 18281 13274 1 17 . 1 1 13 13 ASP N N 13 126.650 126.650 123.891 2.759 18281 13275 1 17 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.545 0.195 18281 13276 1 17 . 1 1 13 13 ASP C C 13 174.520 174.520 175.238 -0.718 18281 13277 1 17 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.194 0.836 18281 13278 1 17 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.263 -0.263 18281 13279 1 17 . 1 1 13 13 ASP H H 13 9.060 9.060 8.652 0.408 18281 13280 1 17 . 1 1 14 14 ILE N N 14 123.580 123.580 115.232 8.348 18281 13281 1 17 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.997 0.353 18281 13282 1 17 . 1 1 14 14 ILE CA C 14 57.390 57.390 60.179 -2.789 18281 13283 1 17 . 1 1 14 14 ILE CB C 14 37.340 37.340 36.540 0.800 18281 13284 1 17 . 1 1 14 14 ILE H H 14 8.470 8.470 8.177 0.293 18281 13285 1 17 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.627 -0.187 18281 13286 1 17 . 1 1 15 15 PRO C C 15 177.130 177.130 177.688 -0.558 18281 13287 1 17 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.658 0.412 18281 13288 1 17 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.617 0.833 18281 13289 1 17 . 1 1 16 16 ALA N N 16 126.780 126.780 126.567 0.213 18281 13290 1 17 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.994 0.007 18281 13291 1 17 . 1 1 16 16 ALA CA C 16 57.100 57.100 56.905 0.195 18281 13292 1 17 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.061 0.239 18281 13293 1 17 . 1 1 16 16 ALA H H 16 8.570 8.570 8.515 0.055 18281 13294 1 17 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.379 -0.479 18281 13295 1 17 . 1 1 17 17 PRO C C 17 179.610 179.610 179.129 0.481 18281 13296 1 17 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.324 0.686 18281 13297 1 17 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.273 -0.373 18281 13298 1 17 . 1 1 18 18 LYS N N 18 116.630 116.630 118.652 -2.022 18281 13299 1 17 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.174 -0.034 18281 13300 1 17 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.425 -0.155 18281 13301 1 17 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.767 0.553 18281 13302 1 17 . 1 1 18 18 LYS H H 18 6.710 6.710 8.060 -1.350 18281 13303 1 17 . 1 1 19 19 LEU N N 19 118.930 118.930 120.827 -1.897 18281 13304 1 17 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.237 -0.398 18281 13305 1 17 . 1 1 19 19 LEU C C 19 178.380 178.380 178.226 0.154 18281 13306 1 17 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.970 0.460 18281 13307 1 17 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.841 0.249 18281 13308 1 17 . 1 1 19 19 LEU H H 19 7.950 7.950 8.126 -0.176 18281 13309 1 17 . 1 1 20 20 PHE N N 20 118.660 118.660 120.544 -1.884 18281 13310 1 17 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.109 -0.259 18281 13311 1 17 . 1 1 20 20 PHE C C 20 177.680 177.680 177.159 0.521 18281 13312 1 17 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.276 0.604 18281 13313 1 17 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.162 0.258 18281 13314 1 17 . 1 1 20 20 PHE H H 20 9.040 9.040 8.487 0.553 18281 13315 1 17 . 1 1 21 21 LYS N N 21 118.430 118.430 119.097 -0.667 18281 13316 1 17 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.905 -0.135 18281 13317 1 17 . 1 1 21 21 LYS C C 21 176.400 176.400 178.840 -2.440 18281 13318 1 17 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.827 0.333 18281 13319 1 17 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.382 0.618 18281 13320 1 17 . 1 1 21 21 LYS H H 21 7.630 7.630 8.087 -0.457 18281 13321 1 17 . 1 1 22 22 ALA N N 22 118.710 118.710 120.353 -1.643 18281 13322 1 17 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.277 0.493 18281 13323 1 17 . 1 1 22 22 ALA C C 22 175.450 175.450 178.658 -3.208 18281 13324 1 17 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.223 1.317 18281 13325 1 17 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.238 1.962 18281 13326 1 17 . 1 1 22 22 ALA H H 22 7.390 7.390 7.507 -0.117 18281 13327 1 17 . 1 1 23 23 PHE N N 23 109.720 109.720 117.434 -7.714 18281 13328 1 17 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.261 -0.021 18281 13329 1 17 . 1 1 23 23 PHE C C 23 174.130 174.130 175.310 -1.180 18281 13330 1 17 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.310 -1.990 18281 13331 1 17 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.680 -0.240 18281 13332 1 17 . 1 1 23 23 PHE H H 23 8.400 8.400 7.715 0.685 18281 13333 1 17 . 1 1 24 24 VAL N N 24 113.250 113.250 112.699 0.551 18281 13334 1 17 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.732 -0.412 18281 13335 1 17 . 1 1 24 24 VAL C C 24 177.660 177.660 176.969 0.691 18281 13336 1 17 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.996 0.504 18281 13337 1 17 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.385 -1.504 18281 13338 1 17 . 1 1 24 24 VAL H H 24 7.220 7.220 7.642 -0.422 18281 13339 1 17 . 1 1 25 25 LEU N N 25 116.250 116.250 121.032 -4.782 18281 13340 1 17 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.138 -0.248 18281 13341 1 17 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.308 0.602 18281 13342 1 17 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.014 -1.014 18281 13343 1 17 . 1 1 25 25 LEU H H 25 7.180 7.180 8.162 -0.982 18281 13344 1 17 . 1 1 26 26 ASP N N 26 117.160 117.160 116.319 0.841 18281 13345 1 17 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.669 0.631 18281 13346 1 17 . 1 1 26 26 ASP C C 26 177.300 177.300 176.354 0.946 18281 13347 1 17 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.890 -0.720 18281 13348 1 17 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.746 2.174 18281 13349 1 17 . 1 1 26 26 ASP H H 26 8.070 8.070 7.655 0.415 18281 13350 1 17 . 1 1 27 27 ALA N N 27 123.040 123.040 123.013 0.027 18281 13351 1 17 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.747 0.013 18281 13352 1 17 . 1 1 27 27 ALA C C 27 178.900 178.900 179.006 -0.106 18281 13353 1 17 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.975 1.065 18281 13354 1 17 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.519 0.911 18281 13355 1 17 . 1 1 27 27 ALA H H 27 6.360 6.360 6.899 -0.539 18281 13356 1 17 . 1 1 28 28 ASP N N 28 115.060 115.060 117.722 -2.662 18281 13357 1 17 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.200 -0.220 18281 13358 1 17 . 1 1 28 28 ASP C C 28 175.850 175.850 176.715 -0.865 18281 13359 1 17 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.819 -1.279 18281 13360 1 17 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.625 -0.985 18281 13361 1 17 . 1 1 28 28 ASP H H 28 8.290 8.290 8.439 -0.149 18281 13362 1 17 . 1 1 29 29 ASN N N 29 113.110 113.110 115.338 -2.228 18281 13363 1 17 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.567 0.163 18281 13364 1 17 . 1 1 29 29 ASN C C 29 176.430 176.430 177.024 -0.594 18281 13365 1 17 . 1 1 29 29 ASN CA C 29 53.610 53.610 55.019 -1.409 18281 13366 1 17 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.064 1.196 18281 13367 1 17 . 1 1 29 29 ASN H H 29 7.360 7.360 7.708 -0.348 18281 13368 1 17 . 1 1 30 30 LEU N N 30 120.630 120.630 122.202 -1.572 18281 13369 1 17 . 1 1 30 30 LEU HA H 30 4.020 4.020 4.025 -0.005 18281 13370 1 17 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.362 0.438 18281 13371 1 17 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.861 0.919 18281 13372 1 17 . 1 1 30 30 LEU H H 30 8.320 8.320 8.553 -0.233 18281 13373 1 17 . 1 1 31 31 ILE N N 31 116.170 116.170 120.017 -3.847 18281 13374 1 17 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.612 0.038 18281 13375 1 17 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.526 -0.726 18281 13376 1 17 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.183 -1.273 18281 13377 1 17 . 1 1 31 31 ILE H H 31 8.140 8.140 8.321 -0.181 18281 13378 1 17 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.240 0.280 18281 13379 1 17 . 1 1 32 32 PRO C C 32 177.680 177.680 177.413 0.267 18281 13380 1 17 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.734 0.786 18281 13381 1 17 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.184 0.336 18281 13382 1 17 . 1 1 33 33 LYS N N 33 112.410 112.410 117.241 -4.831 18281 13383 1 17 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.063 0.087 18281 13384 1 17 . 1 1 33 33 LYS C C 33 178.220 178.220 178.059 0.161 18281 13385 1 17 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.571 -0.281 18281 13386 1 17 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.090 0.820 18281 13387 1 17 . 1 1 33 33 LYS H H 33 6.880 6.880 7.083 -0.203 18281 13388 1 17 . 1 1 34 34 ILE N N 34 112.260 112.260 116.248 -3.988 18281 13389 1 17 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.978 0.342 18281 13390 1 17 . 1 1 34 34 ILE C C 34 175.920 175.920 176.279 -0.359 18281 13391 1 17 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.404 -1.585 18281 13392 1 17 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.664 0.686 18281 13393 1 17 . 1 1 34 34 ILE H H 34 7.560 7.560 7.531 0.029 18281 13394 1 17 . 1 1 35 35 ALA N N 35 124.420 124.420 121.326 3.094 18281 13395 1 17 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.845 0.125 18281 13396 1 17 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.829 0.531 18281 13397 1 17 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.349 -0.089 18281 13398 1 17 . 1 1 35 35 ALA H H 35 8.820 8.820 7.341 1.479 18281 13399 1 17 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.283 0.447 18281 13400 1 17 . 1 1 36 36 PRO C C 36 177.890 177.890 177.786 0.104 18281 13401 1 17 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.559 -0.319 18281 13402 1 17 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.438 -0.757 18281 13403 1 17 . 1 1 37 37 GLN N N 37 115.580 115.580 117.239 -1.659 18281 13404 1 17 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.166 0.084 18281 13405 1 17 . 1 1 37 37 GLN C C 37 177.740 177.740 176.770 0.970 18281 13406 1 17 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.540 -0.230 18281 13407 1 17 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.970 -0.450 18281 13408 1 17 . 1 1 37 37 GLN H H 37 8.660 8.660 8.335 0.325 18281 13409 1 17 . 1 1 38 38 ALA N N 38 123.250 123.250 120.953 2.297 18281 13410 1 17 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.317 0.073 18281 13411 1 17 . 1 1 38 38 ALA C C 38 177.850 177.850 177.193 0.657 18281 13412 1 17 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.968 -0.468 18281 13413 1 17 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.378 0.452 18281 13414 1 17 . 1 1 38 38 ALA H H 38 8.030 8.030 7.550 0.480 18281 13415 1 17 . 1 1 39 39 VAL N N 39 117.330 117.330 109.684 7.646 18281 13416 1 17 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.274 -0.144 18281 13417 1 17 . 1 1 39 39 VAL C C 39 172.750 172.750 174.728 -1.978 18281 13418 1 17 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.237 2.213 18281 13419 1 17 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.523 -1.893 18281 13420 1 17 . 1 1 39 39 VAL H H 39 7.660 7.660 7.137 0.523 18281 13421 1 17 . 1 1 40 40 LYS N N 40 125.270 125.270 121.599 3.671 18281 13422 1 17 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.179 0.281 18281 13423 1 17 . 1 1 40 40 LYS C C 40 177.240 177.240 176.168 1.072 18281 13424 1 17 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.512 -1.062 18281 13425 1 17 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.579 0.421 18281 13426 1 17 . 1 1 40 40 LYS H H 40 8.910 8.910 8.712 0.198 18281 13427 1 17 . 1 1 41 41 CYS N N 41 112.210 112.210 114.030 -1.820 18281 13428 1 17 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.543 0.017 18281 13429 1 17 . 1 1 41 41 CYS C C 41 170.900 170.900 172.770 -1.870 18281 13430 1 17 . 1 1 41 41 CYS CA C 41 57.020 57.020 57.546 -0.526 18281 13431 1 17 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.666 0.134 18281 13432 1 17 . 1 1 41 41 CYS H H 41 7.680 7.680 7.575 0.105 18281 13433 1 17 . 1 1 42 42 ALA N N 42 125.620 125.620 125.873 -0.253 18281 13434 1 17 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.587 0.633 18281 13435 1 17 . 1 1 42 42 ALA C C 42 175.690 175.690 176.127 -0.437 18281 13436 1 17 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.342 -0.362 18281 13437 1 17 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.392 2.608 18281 13438 1 17 . 1 1 42 42 ALA H H 42 8.700 8.700 8.754 -0.054 18281 13439 1 17 . 1 1 43 43 GLU N N 43 120.730 120.730 125.093 -4.363 18281 13440 1 17 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.672 -0.012 18281 13441 1 17 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.464 -0.094 18281 13442 1 17 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.498 0.622 18281 13443 1 17 . 1 1 43 43 GLU H H 43 8.810 8.810 8.424 0.386 18281 13444 1 17 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.471 -0.431 18281 13445 1 17 . 1 1 44 44 ILE C C 44 176.190 176.190 175.930 0.260 18281 13446 1 17 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.866 1.124 18281 13447 1 17 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.437 -0.657 18281 13448 1 17 . 1 1 45 45 LEU N N 45 129.030 129.030 129.526 -0.496 18281 13449 1 17 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.252 0.198 18281 13450 1 17 . 1 1 45 45 LEU C C 45 177.270 177.270 176.629 0.641 18281 13451 1 17 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.670 -0.660 18281 13452 1 17 . 1 1 45 45 LEU CB C 45 42.480 42.480 43.056 -0.576 18281 13453 1 17 . 1 1 45 45 LEU H H 45 9.090 9.090 8.988 0.102 18281 13454 1 17 . 1 1 46 46 GLU N N 46 116.640 116.640 113.840 2.800 18281 13455 1 17 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.462 0.148 18281 13456 1 17 . 1 1 46 46 GLU C C 46 174.840 174.840 175.734 -0.894 18281 13457 1 17 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.349 0.261 18281 13458 1 17 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.983 0.587 18281 13459 1 17 . 1 1 46 46 GLU H H 46 7.700 7.700 7.484 0.216 18281 13460 1 17 . 1 1 47 47 GLY N N 47 110.230 110.230 110.194 0.036 18281 13461 1 17 . 1 1 47 47 GLY C C 47 173.630 173.630 173.847 -0.217 18281 13462 1 17 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.783 -1.103 18281 13463 1 17 . 1 1 47 47 GLY H H 47 8.620 8.620 8.781 -0.161 18281 13464 1 17 . 1 1 48 48 ASP N N 48 115.220 115.220 120.716 -5.496 18281 13465 1 17 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.332 0.438 18281 13466 1 17 . 1 1 48 48 ASP C C 48 177.340 177.340 176.065 1.275 18281 13467 1 17 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.810 -1.890 18281 13468 1 17 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.401 2.279 18281 13469 1 17 . 1 1 48 48 ASP H H 48 7.960 7.960 8.414 -0.454 18281 13470 1 17 . 1 1 49 49 GLY N N 49 110.900 110.900 101.713 9.187 18281 13471 1 17 . 1 1 49 49 GLY C C 49 174.750 174.750 174.253 0.497 18281 13472 1 17 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.197 0.113 18281 13473 1 17 . 1 1 49 49 GLY H H 49 8.750 8.750 8.478 0.272 18281 13474 1 17 . 1 1 50 50 GLY N N 50 107.020 107.020 108.519 -1.499 18281 13475 1 17 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.687 0.913 18281 13476 1 17 . 1 1 50 50 GLY H H 50 8.300 8.300 8.308 -0.008 18281 13477 1 17 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.297 -0.337 18281 13478 1 17 . 1 1 51 51 PRO C C 51 176.780 176.780 176.935 -0.155 18281 13479 1 17 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.245 1.756 18281 13480 1 17 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.962 -0.092 18281 13481 1 17 . 1 1 52 52 GLY N N 52 114.320 114.320 114.653 -0.333 18281 13482 1 17 . 1 1 52 52 GLY C C 52 174.170 174.170 174.367 -0.197 18281 13483 1 17 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.599 -0.918 18281 13484 1 17 . 1 1 52 52 GLY H H 52 9.240 9.240 8.824 0.416 18281 13485 1 17 . 1 1 53 53 THR N N 53 118.900 118.900 116.175 2.725 18281 13486 1 17 . 1 1 53 53 THR HA H 53 4.660 4.660 4.561 0.099 18281 13487 1 17 . 1 1 53 53 THR C C 53 173.510 173.510 174.150 -0.640 18281 13488 1 17 . 1 1 53 53 THR CA C 53 64.580 64.580 63.253 1.327 18281 13489 1 17 . 1 1 53 53 THR CB C 53 70.070 70.070 69.858 0.212 18281 13490 1 17 . 1 1 53 53 THR H H 53 7.910 7.910 7.431 0.479 18281 13491 1 17 . 1 1 54 54 ILE N N 54 124.830 124.830 126.050 -1.220 18281 13492 1 17 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.601 0.709 18281 13493 1 17 . 1 1 54 54 ILE C C 54 175.260 175.260 174.753 0.507 18281 13494 1 17 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.525 -0.655 18281 13495 1 17 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.887 -0.437 18281 13496 1 17 . 1 1 54 54 ILE H H 54 8.550 8.550 8.504 0.046 18281 13497 1 17 . 1 1 55 55 LYS N N 55 126.970 126.970 126.773 0.197 18281 13498 1 17 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.241 0.059 18281 13499 1 17 . 1 1 55 55 LYS C C 55 173.950 173.950 175.189 -1.239 18281 13500 1 17 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.503 -0.673 18281 13501 1 17 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.875 0.855 18281 13502 1 17 . 1 1 55 55 LYS H H 55 9.400 9.400 9.066 0.334 18281 13503 1 17 . 1 1 56 56 LYS N N 56 124.220 124.220 123.282 0.938 18281 13504 1 17 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.912 0.368 18281 13505 1 17 . 1 1 56 56 LYS C C 56 175.230 175.230 174.513 0.717 18281 13506 1 17 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.574 -0.784 18281 13507 1 17 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.303 -0.243 18281 13508 1 17 . 1 1 56 56 LYS H H 56 9.360 9.360 9.099 0.261 18281 13509 1 17 . 1 1 57 57 ILE N N 57 132.380 132.380 127.747 4.633 18281 13510 1 17 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.522 0.118 18281 13511 1 17 . 1 1 57 57 ILE C C 57 174.840 174.840 174.996 -0.156 18281 13512 1 17 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.831 0.649 18281 13513 1 17 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.563 -2.293 18281 13514 1 17 . 1 1 57 57 ILE H H 57 9.240 9.240 9.351 -0.111 18281 13515 1 17 . 1 1 58 58 THR N N 58 122.310 122.310 121.559 0.751 18281 13516 1 17 . 1 1 58 58 THR HA H 58 5.180 5.180 4.849 0.331 18281 13517 1 17 . 1 1 58 58 THR C C 58 174.260 174.260 173.391 0.869 18281 13518 1 17 . 1 1 58 58 THR CA C 58 61.720 61.720 61.452 0.268 18281 13519 1 17 . 1 1 58 58 THR CB C 58 70.640 70.640 70.334 0.306 18281 13520 1 17 . 1 1 58 58 THR H H 58 8.720 8.720 8.347 0.373 18281 13521 1 17 . 1 1 59 59 PHE N N 59 124.570 124.570 125.198 -0.628 18281 13522 1 17 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.898 0.122 18281 13523 1 17 . 1 1 59 59 PHE C C 59 174.510 174.510 176.926 -2.416 18281 13524 1 17 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.128 -0.678 18281 13525 1 17 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.542 0.468 18281 13526 1 17 . 1 1 59 59 PHE H H 59 8.570 8.570 8.607 -0.036 18281 13527 1 17 . 1 1 60 60 GLY N N 60 104.600 104.600 111.883 -7.283 18281 13528 1 17 . 1 1 60 60 GLY C C 60 173.500 173.500 174.644 -1.144 18281 13529 1 17 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.541 0.289 18281 13530 1 17 . 1 1 60 60 GLY H H 60 7.800 7.800 8.795 -0.995 18281 13531 1 17 . 1 1 61 61 GLU N N 61 119.400 119.400 120.278 -0.878 18281 13532 1 17 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.172 -0.062 18281 13533 1 17 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.455 -0.655 18281 13534 1 17 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.086 0.854 18281 13535 1 17 . 1 1 61 61 GLU H H 61 8.290 8.290 8.159 0.131 18281 13536 1 17 . 1 1 62 62 GLY N N 62 110.940 110.940 106.953 3.987 18281 13537 1 17 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.149 2.051 18281 13538 1 17 . 1 1 62 62 GLY H H 62 8.870 8.870 7.670 1.200 18281 13539 1 17 . 1 1 66 66 GLY C C 66 176.930 176.930 171.871 5.059 18281 13540 1 17 . 1 1 66 66 GLY CA C 66 45.080 45.080 46.044 -0.964 18281 13541 1 17 . 1 1 67 67 TYR N N 67 115.490 115.490 119.952 -4.462 18281 13542 1 17 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.737 -0.157 18281 13543 1 17 . 1 1 67 67 TYR C C 67 175.470 175.470 173.499 1.971 18281 13544 1 17 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.932 -1.012 18281 13545 1 17 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.601 0.119 18281 13546 1 17 . 1 1 67 67 TYR H H 67 8.110 8.110 8.243 -0.133 18281 13547 1 17 . 1 1 68 68 VAL N N 68 111.980 111.980 122.076 -10.096 18281 13548 1 17 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.419 0.601 18281 13549 1 17 . 1 1 68 68 VAL C C 68 175.480 175.480 174.650 0.830 18281 13550 1 17 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.910 -1.410 18281 13551 1 17 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.003 1.457 18281 13552 1 17 . 1 1 68 68 VAL H H 68 8.840 8.840 8.791 0.049 18281 13553 1 17 . 1 1 69 69 LYS N N 69 118.430 118.430 124.551 -6.121 18281 13554 1 17 . 1 1 69 69 LYS HA H 69 5.700 5.700 4.993 0.707 18281 13555 1 17 . 1 1 69 69 LYS C C 69 175.740 175.740 175.072 0.668 18281 13556 1 17 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.568 0.802 18281 13557 1 17 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.803 0.777 18281 13558 1 17 . 1 1 69 69 LYS H H 69 8.590 8.590 8.382 0.208 18281 13559 1 17 . 1 1 70 70 HIS N N 70 122.590 122.590 122.065 0.525 18281 13560 1 17 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.259 0.931 18281 13561 1 17 . 1 1 70 70 HIS C C 70 174.590 174.590 174.043 0.547 18281 13562 1 17 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.618 -3.778 18281 13563 1 17 . 1 1 70 70 HIS CB C 70 36.010 36.010 32.586 3.424 18281 13564 1 17 . 1 1 70 70 HIS H H 70 9.160 9.160 8.167 0.993 18281 13565 1 17 . 1 1 71 71 LYS N N 71 122.760 122.760 124.330 -1.570 18281 13566 1 17 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.444 0.046 18281 13567 1 17 . 1 1 71 71 LYS C C 71 175.500 175.500 174.881 0.619 18281 13568 1 17 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.991 0.049 18281 13569 1 17 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.018 -0.148 18281 13570 1 17 . 1 1 71 71 LYS H H 71 9.460 9.460 9.281 0.179 18281 13571 1 17 . 1 1 72 72 ILE N N 72 127.870 127.870 126.292 1.578 18281 13572 1 17 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.299 -0.419 18281 13573 1 17 . 1 1 72 72 ILE C C 72 175.430 175.430 175.719 -0.289 18281 13574 1 17 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.404 1.996 18281 13575 1 17 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.655 -1.615 18281 13576 1 17 . 1 1 72 72 ILE H H 72 9.320 9.320 8.676 0.644 18281 13577 1 17 . 1 1 73 73 HIS N N 73 127.690 127.690 126.104 1.586 18281 13578 1 17 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.662 0.458 18281 13579 1 17 . 1 1 73 73 HIS C C 73 176.240 176.240 174.878 1.362 18281 13580 1 17 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.919 -0.949 18281 13581 1 17 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.577 0.363 18281 13582 1 17 . 1 1 73 73 HIS H H 73 9.080 9.080 8.303 0.777 18281 13583 1 17 . 1 1 74 74 SER N N 74 110.900 110.900 112.346 -1.446 18281 13584 1 17 . 1 1 74 74 SER HA H 74 4.760 4.760 4.646 0.114 18281 13585 1 17 . 1 1 74 74 SER C C 74 172.620 172.620 172.421 0.199 18281 13586 1 17 . 1 1 74 74 SER CA C 74 57.880 57.880 57.430 0.450 18281 13587 1 17 . 1 1 74 74 SER CB C 74 66.790 66.790 64.886 1.903 18281 13588 1 17 . 1 1 74 74 SER H H 74 8.180 8.180 7.959 0.221 18281 13589 1 17 . 1 1 75 75 ILE N N 75 123.780 123.780 118.811 4.969 18281 13590 1 17 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.809 -0.129 18281 13591 1 17 . 1 1 75 75 ILE C C 75 174.010 174.010 174.151 -0.141 18281 13592 1 17 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.597 2.542 18281 13593 1 17 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.952 -0.642 18281 13594 1 17 . 1 1 75 75 ILE H H 75 8.730 8.730 8.375 0.355 18281 13595 1 17 . 1 1 76 76 ASP N N 76 127.280 127.280 126.393 0.887 18281 13596 1 17 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.041 0.039 18281 13597 1 17 . 1 1 76 76 ASP C C 76 176.680 176.680 175.868 0.812 18281 13598 1 17 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.083 -0.953 18281 13599 1 17 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.582 -0.032 18281 13600 1 17 . 1 1 76 76 ASP H H 76 9.110 9.110 9.020 0.090 18281 13601 1 17 . 1 1 77 77 LYS N N 77 122.400 122.400 123.414 -1.014 18281 13602 1 17 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.722 0.258 18281 13603 1 17 . 1 1 77 77 LYS C C 77 175.980 175.980 177.513 -1.533 18281 13604 1 17 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.592 -2.172 18281 13605 1 17 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.386 0.394 18281 13606 1 17 . 1 1 77 77 LYS H H 77 8.890 8.890 8.613 0.277 18281 13607 1 17 . 1 1 78 78 VAL N N 78 119.300 119.300 116.612 2.688 18281 13608 1 17 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.538 0.122 18281 13609 1 17 . 1 1 78 78 VAL C C 78 176.290 176.290 175.882 0.408 18281 13610 1 17 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.891 -0.471 18281 13611 1 17 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.860 0.240 18281 13612 1 17 . 1 1 78 78 VAL H H 78 8.110 8.110 7.981 0.129 18281 13613 1 17 . 1 1 79 79 ASN N N 79 114.400 114.400 114.683 -0.283 18281 13614 1 17 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.579 -0.099 18281 13615 1 17 . 1 1 79 79 ASN C C 79 173.670 173.670 174.910 -1.240 18281 13616 1 17 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.922 -0.382 18281 13617 1 17 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.799 1.291 18281 13618 1 17 . 1 1 79 79 ASN H H 79 7.700 7.700 7.816 -0.116 18281 13619 1 17 . 1 1 80 80 HIS N N 80 115.530 115.530 112.797 2.733 18281 13620 1 17 . 1 1 80 80 HIS C C 80 173.450 173.450 173.097 0.353 18281 13621 1 17 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.896 -0.366 18281 13622 1 17 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.734 0.466 18281 13623 1 17 . 1 1 80 80 HIS H H 80 6.980 6.980 7.137 -0.157 18281 13624 1 17 . 1 1 81 81 THR N N 81 109.600 109.600 113.959 -4.359 18281 13625 1 17 . 1 1 81 81 THR HA H 81 5.730 5.730 5.216 0.514 18281 13626 1 17 . 1 1 81 81 THR C C 81 172.980 172.980 172.916 0.064 18281 13627 1 17 . 1 1 81 81 THR CA C 81 60.190 60.190 62.296 -2.106 18281 13628 1 17 . 1 1 81 81 THR CB C 81 71.740 71.740 71.455 0.285 18281 13629 1 17 . 1 1 81 81 THR H H 81 7.990 7.990 7.536 0.454 18281 13630 1 17 . 1 1 82 82 TYR N N 82 125.000 125.000 128.449 -3.449 18281 13631 1 17 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.088 0.612 18281 13632 1 17 . 1 1 82 82 TYR C C 82 173.600 173.600 173.231 0.369 18281 13633 1 17 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.701 -1.371 18281 13634 1 17 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.344 0.466 18281 13635 1 17 . 1 1 82 82 TYR H H 82 9.300 9.300 9.890 -0.590 18281 13636 1 17 . 1 1 83 83 SER N N 83 121.820 121.820 123.024 -1.204 18281 13637 1 17 . 1 1 83 83 SER HA H 83 5.670 5.670 5.199 0.471 18281 13638 1 17 . 1 1 83 83 SER C C 83 173.490 173.490 172.947 0.543 18281 13639 1 17 . 1 1 83 83 SER CA C 83 56.420 56.420 56.940 -0.520 18281 13640 1 17 . 1 1 83 83 SER CB C 83 65.520 65.520 65.814 -0.294 18281 13641 1 17 . 1 1 83 83 SER H H 83 9.090 9.090 8.144 0.946 18281 13642 1 17 . 1 1 84 84 TYR N N 84 122.970 122.970 119.619 3.351 18281 13643 1 17 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.171 0.059 18281 13644 1 17 . 1 1 84 84 TYR C C 84 172.530 172.530 173.277 -0.747 18281 13645 1 17 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.832 -0.412 18281 13646 1 17 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.384 -0.434 18281 13647 1 17 . 1 1 84 84 TYR H H 84 8.790 8.790 9.341 -0.551 18281 13648 1 17 . 1 1 85 85 SER N N 85 114.200 114.200 113.429 0.771 18281 13649 1 17 . 1 1 85 85 SER HA H 85 5.700 5.700 5.179 0.521 18281 13650 1 17 . 1 1 85 85 SER C C 85 173.180 173.180 172.572 0.608 18281 13651 1 17 . 1 1 85 85 SER CA C 85 57.510 57.510 57.336 0.174 18281 13652 1 17 . 1 1 85 85 SER CB C 85 65.940 65.940 67.272 -1.332 18281 13653 1 17 . 1 1 85 85 SER H H 85 9.350 9.350 9.501 -0.151 18281 13654 1 17 . 1 1 86 86 LEU N N 86 128.880 128.880 124.457 4.423 18281 13655 1 17 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.832 0.398 18281 13656 1 17 . 1 1 86 86 LEU C C 86 176.230 176.230 176.774 -0.544 18281 13657 1 17 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.234 1.356 18281 13658 1 17 . 1 1 86 86 LEU CB C 86 44.150 44.150 42.888 1.262 18281 13659 1 17 . 1 1 86 86 LEU H H 86 9.900 9.900 9.313 0.587 18281 13660 1 17 . 1 1 87 87 ILE N N 87 115.900 115.900 128.518 -12.618 18281 13661 1 17 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.019 0.911 18281 13662 1 17 . 1 1 87 87 ILE C C 87 176.080 176.080 175.917 0.163 18281 13663 1 17 . 1 1 87 87 ILE CA C 87 61.270 61.270 63.366 -2.096 18281 13664 1 17 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.886 0.944 18281 13665 1 17 . 1 1 87 87 ILE H H 87 8.180 8.180 8.389 -0.209 18281 13666 1 17 . 1 1 88 88 GLU N N 88 121.920 121.920 116.441 5.479 18281 13667 1 17 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.522 -0.012 18281 13668 1 17 . 1 1 88 88 GLU C C 88 174.020 174.020 174.498 -0.478 18281 13669 1 17 . 1 1 88 88 GLU CA C 88 57.040 57.040 54.972 2.068 18281 13670 1 17 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.191 1.779 18281 13671 1 17 . 1 1 88 88 GLU H H 88 7.650 7.650 7.475 0.175 18281 13672 1 17 . 1 1 89 89 GLY N N 89 111.650 111.650 107.006 4.644 18281 13673 1 17 . 1 1 89 89 GLY C C 89 173.800 173.800 173.191 0.609 18281 13674 1 17 . 1 1 89 89 GLY CA C 89 44.950 44.950 45.127 -0.177 18281 13675 1 17 . 1 1 89 89 GLY H H 89 8.830 8.830 8.221 0.609 18281 13676 1 17 . 1 1 90 90 ASP N N 90 119.650 119.650 121.891 -2.241 18281 13677 1 17 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.231 0.129 18281 13678 1 17 . 1 1 90 90 ASP C C 90 176.570 176.570 177.776 -1.206 18281 13679 1 17 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.896 0.144 18281 13680 1 17 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.819 0.461 18281 13681 1 17 . 1 1 90 90 ASP H H 90 8.430 8.430 8.563 -0.133 18281 13682 1 17 . 1 1 91 91 ALA N N 91 118.530 118.530 119.444 -0.914 18281 13683 1 17 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.191 0.049 18281 13684 1 17 . 1 1 91 91 ALA C C 91 177.740 177.740 179.122 -1.382 18281 13685 1 17 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.050 -0.840 18281 13686 1 17 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.650 0.660 18281 13687 1 17 . 1 1 91 91 ALA H H 91 7.810 7.810 8.072 -0.262 18281 13688 1 17 . 1 1 92 92 LEU N N 92 117.330 117.330 116.979 0.351 18281 13689 1 17 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.289 0.171 18281 13690 1 17 . 1 1 92 92 LEU C C 92 176.210 176.210 177.154 -0.944 18281 13691 1 17 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.367 -1.347 18281 13692 1 17 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.229 -2.019 18281 13693 1 17 . 1 1 92 92 LEU H H 92 7.600 7.600 7.444 0.156 18281 13694 1 17 . 1 1 93 93 SER N N 93 115.780 115.780 112.249 3.531 18281 13695 1 17 . 1 1 93 93 SER HA H 93 4.620 4.620 4.062 0.558 18281 13696 1 17 . 1 1 93 93 SER C C 93 173.970 173.970 174.693 -0.723 18281 13697 1 17 . 1 1 93 93 SER CA C 93 57.730 57.730 59.995 -2.265 18281 13698 1 17 . 1 1 93 93 SER CB C 93 64.920 64.920 63.321 1.599 18281 13699 1 17 . 1 1 93 93 SER H H 93 7.910 7.910 7.833 0.077 18281 13700 1 17 . 1 1 94 94 GLU N N 94 119.400 119.400 120.539 -1.139 18281 13701 1 17 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.192 -0.032 18281 13702 1 17 . 1 1 94 94 GLU C C 94 176.570 176.570 176.233 0.337 18281 13703 1 17 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.389 1.311 18281 13704 1 17 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.613 -0.403 18281 13705 1 17 . 1 1 94 94 GLU H H 94 8.850 8.850 8.715 0.135 18281 13706 1 17 . 1 1 95 95 ASN N N 95 113.460 113.460 117.143 -3.683 18281 13707 1 17 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.793 0.007 18281 13708 1 17 . 1 1 95 95 ASN C C 95 174.070 174.070 174.428 -0.358 18281 13709 1 17 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.122 -0.002 18281 13710 1 17 . 1 1 95 95 ASN CB C 95 39.350 39.350 40.114 -0.764 18281 13711 1 17 . 1 1 95 95 ASN H H 95 8.290 8.290 7.819 0.471 18281 13712 1 17 . 1 1 96 96 ILE N N 96 120.610 120.610 120.436 0.174 18281 13713 1 17 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.170 0.020 18281 13714 1 17 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.184 -0.254 18281 13715 1 17 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.217 -0.347 18281 13716 1 17 . 1 1 96 96 ILE H H 96 7.770 7.770 7.922 -0.152 18281 13717 1 17 . 1 1 97 97 GLU N N 97 126.670 126.670 125.868 0.802 18281 13718 1 17 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.529 0.261 18281 13719 1 17 . 1 1 97 97 GLU CA C 97 56.200 56.200 54.992 1.208 18281 13720 1 17 . 1 1 97 97 GLU CB C 97 32.950 32.950 30.652 2.298 18281 13721 1 17 . 1 1 97 97 GLU H H 97 8.460 8.460 8.903 -0.443 18281 13722 1 17 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.450 0.260 18281 13723 1 17 . 1 1 98 98 LYS C C 98 173.650 173.650 176.577 -2.927 18281 13724 1 17 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.210 -1.240 18281 13725 1 17 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.170 1.630 18281 13726 1 17 . 1 1 99 99 ILE N N 99 120.290 120.290 120.179 0.111 18281 13727 1 17 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.613 0.177 18281 13728 1 17 . 1 1 99 99 ILE C C 99 174.690 174.690 174.657 0.033 18281 13729 1 17 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.823 0.477 18281 13730 1 17 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.191 0.359 18281 13731 1 17 . 1 1 99 99 ILE H H 99 7.720 7.720 8.604 -0.884 18281 13732 1 17 . 1 1 100 100 ASP N N 100 126.970 126.970 126.629 0.341 18281 13733 1 17 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.837 0.263 18281 13734 1 17 . 1 1 100 100 ASP C C 100 174.490 174.490 174.604 -0.114 18281 13735 1 17 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.110 -0.480 18281 13736 1 17 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.650 1.200 18281 13737 1 17 . 1 1 100 100 ASP H H 100 9.220 9.220 8.406 0.814 18281 13738 1 17 . 1 1 101 101 TYR N N 101 120.640 120.640 123.167 -2.527 18281 13739 1 17 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.835 0.445 18281 13740 1 17 . 1 1 101 101 TYR C C 101 175.740 175.740 174.073 1.667 18281 13741 1 17 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.608 0.372 18281 13742 1 17 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.762 -0.122 18281 13743 1 17 . 1 1 101 101 TYR H H 101 9.140 9.140 9.212 -0.072 18281 13744 1 17 . 1 1 102 102 GLU N N 102 122.040 122.040 122.972 -0.932 18281 13745 1 17 . 1 1 102 102 GLU HA H 102 5.130 5.130 5.268 -0.138 18281 13746 1 17 . 1 1 102 102 GLU C C 102 175.360 175.360 175.530 -0.170 18281 13747 1 17 . 1 1 102 102 GLU CA C 102 55.870 55.870 54.704 1.166 18281 13748 1 17 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.093 -1.024 18281 13749 1 17 . 1 1 102 102 GLU H H 102 8.670 8.670 9.480 -0.810 18281 13750 1 17 . 1 1 103 103 THR N N 103 125.840 125.840 122.133 3.707 18281 13751 1 17 . 1 1 103 103 THR HA H 103 5.580 5.580 5.173 0.407 18281 13752 1 17 . 1 1 103 103 THR C C 103 172.780 172.780 172.874 -0.094 18281 13753 1 17 . 1 1 103 103 THR CA C 103 62.150 62.150 61.466 0.684 18281 13754 1 17 . 1 1 103 103 THR CB C 103 71.750 71.750 71.587 0.163 18281 13755 1 17 . 1 1 103 103 THR H H 103 9.550 9.550 9.547 0.003 18281 13756 1 17 . 1 1 104 104 LYS N N 104 126.990 126.990 127.163 -0.173 18281 13757 1 17 . 1 1 104 104 LYS HA H 104 5.240 5.240 5.095 0.145 18281 13758 1 17 . 1 1 104 104 LYS C C 104 174.300 174.300 174.105 0.195 18281 13759 1 17 . 1 1 104 104 LYS CA C 104 55.330 55.330 54.914 0.416 18281 13760 1 17 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.221 -0.281 18281 13761 1 17 . 1 1 104 104 LYS H H 104 9.430 9.430 8.704 0.726 18281 13762 1 17 . 1 1 105 105 LEU N N 105 124.700 124.700 126.554 -1.854 18281 13763 1 17 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.687 0.523 18281 13764 1 17 . 1 1 105 105 LEU C C 105 175.780 175.780 176.134 -0.354 18281 13765 1 17 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.612 1.008 18281 13766 1 17 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.491 0.459 18281 13767 1 17 . 1 1 105 105 LEU H H 105 8.410 8.410 8.698 -0.288 18281 13768 1 17 . 1 1 106 106 VAL N N 106 123.290 123.290 123.298 -0.008 18281 13769 1 17 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.279 0.151 18281 13770 1 17 . 1 1 106 106 VAL C C 106 175.560 175.560 174.337 1.223 18281 13771 1 17 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.812 -0.341 18281 13772 1 17 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.837 -0.817 18281 13773 1 17 . 1 1 106 106 VAL H H 106 9.180 9.180 9.143 0.037 18281 13774 1 17 . 1 1 107 107 SER N N 107 121.800 121.800 119.778 2.022 18281 13775 1 17 . 1 1 107 107 SER HA H 107 4.660 4.660 4.762 -0.102 18281 13776 1 17 . 1 1 107 107 SER C C 107 173.600 173.600 173.363 0.237 18281 13777 1 17 . 1 1 107 107 SER CA C 107 59.860 59.860 57.056 2.804 18281 13778 1 17 . 1 1 107 107 SER CB C 107 63.250 63.250 64.419 -1.169 18281 13779 1 17 . 1 1 107 107 SER H H 107 8.910 8.910 8.392 0.518 18281 13780 1 17 . 1 1 108 108 ALA N N 108 129.210 129.210 127.897 1.313 18281 13781 1 17 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.957 -0.327 18281 13782 1 17 . 1 1 108 108 ALA CA C 108 49.620 49.620 49.218 0.402 18281 13783 1 17 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.750 0.050 18281 13784 1 17 . 1 1 108 108 ALA H H 108 8.310 8.310 8.186 0.124 18281 13785 1 17 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.235 0.185 18281 13786 1 17 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.974 -1.274 18281 13787 1 17 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.408 0.792 18281 13788 1 17 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.453 0.317 18281 13789 1 17 . 1 1 110 110 HIS C C 110 175.760 175.760 176.251 -0.491 18281 13790 1 17 . 1 1 110 110 HIS CA C 110 55.390 55.390 57.025 -1.635 18281 13791 1 17 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.968 -0.558 18281 13792 1 17 . 1 1 111 111 GLY N N 111 108.720 108.720 107.496 1.224 18281 13793 1 17 . 1 1 111 111 GLY C C 111 174.390 174.390 173.859 0.531 18281 13794 1 17 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.216 -0.086 18281 13795 1 17 . 1 1 111 111 GLY H H 111 7.730 7.730 7.797 -0.067 18281 13796 1 17 . 1 1 112 112 GLY N N 112 107.670 107.670 108.772 -1.102 18281 13797 1 17 . 1 1 112 112 GLY C C 112 174.150 174.150 172.981 1.169 18281 13798 1 17 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.376 0.044 18281 13799 1 17 . 1 1 112 112 GLY H H 112 7.600 7.600 8.023 -0.423 18281 13800 1 17 . 1 1 113 113 THR N N 113 119.830 119.830 115.999 3.831 18281 13801 1 17 . 1 1 113 113 THR HA H 113 5.060 5.060 4.857 0.203 18281 13802 1 17 . 1 1 113 113 THR C C 113 173.250 173.250 173.686 -0.436 18281 13803 1 17 . 1 1 113 113 THR CA C 113 62.990 62.990 62.309 0.681 18281 13804 1 17 . 1 1 113 113 THR CB C 113 72.270 72.270 71.158 1.112 18281 13805 1 17 . 1 1 113 113 THR H H 113 9.070 9.070 7.988 1.082 18281 13806 1 17 . 1 1 114 114 ILE N N 114 127.600 127.600 126.883 0.717 18281 13807 1 17 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.138 0.372 18281 13808 1 17 . 1 1 114 114 ILE C C 114 174.370 174.370 174.394 -0.024 18281 13809 1 17 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.262 -0.102 18281 13810 1 17 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.443 0.527 18281 13811 1 17 . 1 1 114 114 ILE H H 114 9.490 9.490 9.181 0.309 18281 13812 1 17 . 1 1 115 115 ILE N N 115 129.200 129.200 126.517 2.683 18281 13813 1 17 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.808 -0.308 18281 13814 1 17 . 1 1 115 115 ILE C C 115 175.000 175.000 174.784 0.216 18281 13815 1 17 . 1 1 115 115 ILE CA C 115 61.400 61.400 59.932 1.468 18281 13816 1 17 . 1 1 115 115 ILE CB C 115 38.000 38.000 39.812 -1.812 18281 13817 1 17 . 1 1 115 115 ILE H H 115 9.220 9.220 9.261 -0.042 18281 13818 1 17 . 1 1 116 116 LYS N N 116 127.550 127.550 128.465 -0.915 18281 13819 1 17 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.427 -0.257 18281 13820 1 17 . 1 1 116 116 LYS C C 116 176.300 176.300 175.784 0.516 18281 13821 1 17 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.763 0.607 18281 13822 1 17 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.268 -0.688 18281 13823 1 17 . 1 1 116 116 LYS H H 116 9.130 9.130 8.303 0.827 18281 13824 1 17 . 1 1 117 117 THR N N 117 120.940 120.940 122.670 -1.730 18281 13825 1 17 . 1 1 117 117 THR HA H 117 5.730 5.730 5.362 0.368 18281 13826 1 17 . 1 1 117 117 THR C C 117 174.620 174.620 173.632 0.988 18281 13827 1 17 . 1 1 117 117 THR CA C 117 60.990 60.990 61.456 -0.466 18281 13828 1 17 . 1 1 117 117 THR CB C 117 71.750 71.750 71.371 0.379 18281 13829 1 17 . 1 1 117 117 THR H H 117 9.020 9.020 8.867 0.153 18281 13830 1 17 . 1 1 118 118 THR N N 118 125.750 125.750 123.211 2.539 18281 13831 1 17 . 1 1 118 118 THR HA H 118 5.170 5.170 5.784 -0.614 18281 13832 1 17 . 1 1 118 118 THR C C 118 173.760 173.760 173.454 0.306 18281 13833 1 17 . 1 1 118 118 THR CA C 118 61.800 61.800 60.645 1.155 18281 13834 1 17 . 1 1 118 118 THR CB C 118 70.720 70.720 71.452 -0.732 18281 13835 1 17 . 1 1 118 118 THR H H 118 9.500 9.500 8.804 0.696 18281 13836 1 17 . 1 1 119 119 SER N N 119 122.250 122.250 119.603 2.647 18281 13837 1 17 . 1 1 119 119 SER HA H 119 5.270 5.270 5.409 -0.139 18281 13838 1 17 . 1 1 119 119 SER C C 119 172.960 172.960 172.751 0.209 18281 13839 1 17 . 1 1 119 119 SER CA C 119 55.860 55.860 56.760 -0.900 18281 13840 1 17 . 1 1 119 119 SER CB C 119 66.720 66.720 66.454 0.266 18281 13841 1 17 . 1 1 119 119 SER H H 119 9.410 9.410 8.708 0.702 18281 13842 1 17 . 1 1 120 120 LYS N N 120 124.120 124.120 121.876 2.244 18281 13843 1 17 . 1 1 120 120 LYS HA H 120 5.240 5.240 5.158 0.082 18281 13844 1 17 . 1 1 120 120 LYS C C 120 174.780 174.780 175.119 -0.339 18281 13845 1 17 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.457 0.373 18281 13846 1 17 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.428 -0.268 18281 13847 1 17 . 1 1 120 120 LYS H H 120 9.150 9.150 8.514 0.636 18281 13848 1 17 . 1 1 121 121 TYR N N 121 126.500 126.500 121.343 5.157 18281 13849 1 17 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.399 0.601 18281 13850 1 17 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.421 -0.221 18281 13851 1 17 . 1 1 121 121 TYR H H 121 9.800 9.800 8.176 1.624 18281 13852 1 17 . 1 1 122 122 HIS C C 122 174.670 174.670 174.607 0.063 18281 13853 1 17 . 1 1 123 123 THR N N 123 125.750 125.750 114.154 11.596 18281 13854 1 17 . 1 1 123 123 THR HA H 123 5.400 5.400 4.716 0.684 18281 13855 1 17 . 1 1 123 123 THR C C 123 174.460 174.460 173.895 0.565 18281 13856 1 17 . 1 1 123 123 THR CA C 123 60.230 60.230 59.700 0.530 18281 13857 1 17 . 1 1 123 123 THR CB C 123 71.260 71.260 71.718 -0.458 18281 13858 1 17 . 1 1 123 123 THR H H 123 8.920 8.920 8.441 0.479 18281 13859 1 17 . 1 1 124 124 LYS N N 124 121.170 121.170 122.860 -1.690 18281 13860 1 17 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.227 0.533 18281 13861 1 17 . 1 1 124 124 LYS C C 124 176.450 176.450 177.322 -0.872 18281 13862 1 17 . 1 1 124 124 LYS CA C 124 55.510 55.510 57.478 -1.968 18281 13863 1 17 . 1 1 124 124 LYS CB C 124 33.900 33.900 33.038 0.863 18281 13864 1 17 . 1 1 124 124 LYS H H 124 8.590 8.590 8.402 0.188 18281 13865 1 17 . 1 1 125 125 GLY N N 125 110.070 110.070 105.947 4.123 18281 13866 1 17 . 1 1 125 125 GLY C C 125 173.620 173.620 173.228 0.392 18281 13867 1 17 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.215 0.055 18281 13868 1 17 . 1 1 125 125 GLY H H 125 8.390 8.390 8.016 0.374 18281 13869 1 17 . 1 1 126 126 ASP N N 126 120.070 120.070 119.684 0.386 18281 13870 1 17 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.283 0.387 18281 13871 1 17 . 1 1 126 126 ASP C C 126 175.580 175.580 176.624 -1.044 18281 13872 1 17 . 1 1 126 126 ASP CA C 126 54.290 54.290 55.016 -0.726 18281 13873 1 17 . 1 1 126 126 ASP CB C 126 40.360 40.360 39.525 0.835 18281 13874 1 17 . 1 1 126 126 ASP H H 126 8.440 8.440 8.090 0.350 18281 13875 1 17 . 1 1 127 127 VAL N N 127 119.620 119.620 117.815 1.805 18281 13876 1 17 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.810 0.430 18281 13877 1 17 . 1 1 127 127 VAL C C 127 174.610 174.610 176.542 -1.932 18281 13878 1 17 . 1 1 127 127 VAL CA C 127 61.230 61.230 65.353 -4.123 18281 13879 1 17 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.258 1.992 18281 13880 1 17 . 1 1 127 127 VAL H H 127 7.620 7.620 8.515 -0.895 18281 13881 1 17 . 1 1 128 128 GLU N N 128 125.030 125.030 117.822 7.208 18281 13882 1 17 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.312 -0.182 18281 13883 1 17 . 1 1 128 128 GLU C C 128 175.680 175.680 174.833 0.847 18281 13884 1 17 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.309 -0.769 18281 13885 1 17 . 1 1 128 128 GLU CB C 128 30.790 30.790 29.649 1.141 18281 13886 1 17 . 1 1 128 128 GLU H H 128 8.330 8.330 7.885 0.445 18281 13887 1 17 . 1 1 129 129 ILE N N 129 124.070 124.070 122.286 1.784 18281 13888 1 17 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.360 -0.400 18281 13889 1 17 . 1 1 129 129 ILE C C 129 175.960 175.960 173.961 1.999 18281 13890 1 17 . 1 1 129 129 ILE CA C 129 59.350 59.350 60.418 -1.068 18281 13891 1 17 . 1 1 129 129 ILE CB C 129 36.680 36.680 39.774 -3.094 18281 13892 1 17 . 1 1 129 129 ILE H H 129 7.380 7.380 8.065 -0.685 18281 13893 1 17 . 1 1 130 130 LYS N N 130 127.800 127.800 123.201 4.599 18281 13894 1 17 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.550 -0.270 18281 13895 1 17 . 1 1 130 130 LYS C C 130 177.660 177.660 176.416 1.244 18281 13896 1 17 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.796 0.054 18281 13897 1 17 . 1 1 130 130 LYS CB C 130 32.810 32.810 34.363 -1.553 18281 13898 1 17 . 1 1 130 130 LYS H H 130 8.790 8.790 8.415 0.375 18281 13899 1 17 . 1 1 131 131 GLU N N 131 125.060 125.060 127.108 -2.048 18281 13900 1 17 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.768 0.042 18281 13901 1 17 . 1 1 131 131 GLU C C 131 178.630 178.630 177.769 0.861 18281 13902 1 17 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.163 -0.653 18281 13903 1 17 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.610 -0.310 18281 13904 1 17 . 1 1 131 131 GLU H H 131 8.880 8.880 9.098 -0.218 18281 13905 1 17 . 1 1 132 132 GLU N N 132 117.220 117.220 117.065 0.155 18281 13906 1 17 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.963 0.017 18281 13907 1 17 . 1 1 132 132 GLU C C 132 178.630 178.630 178.799 -0.169 18281 13908 1 17 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.249 0.361 18281 13909 1 17 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.126 -0.146 18281 13910 1 17 . 1 1 132 132 GLU H H 132 9.200 9.200 8.899 0.301 18281 13911 1 17 . 1 1 133 133 HIS N N 133 119.810 119.810 119.758 0.052 18281 13912 1 17 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.300 0.170 18281 13913 1 17 . 1 1 133 133 HIS C C 133 178.430 178.430 177.427 1.003 18281 13914 1 17 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.330 -0.200 18281 13915 1 17 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.623 1.697 18281 13916 1 17 . 1 1 133 133 HIS H H 133 7.500 7.500 7.585 -0.085 18281 13917 1 17 . 1 1 134 134 VAL N N 134 120.370 120.370 119.370 1.000 18281 13918 1 17 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.312 0.338 18281 13919 1 17 . 1 1 134 134 VAL C C 134 179.170 179.170 177.598 1.572 18281 13920 1 17 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.611 -1.431 18281 13921 1 17 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.903 0.807 18281 13922 1 17 . 1 1 134 134 VAL H H 134 7.290 7.290 7.879 -0.589 18281 13923 1 17 . 1 1 135 135 LYS N N 135 121.310 121.310 119.957 1.353 18281 13924 1 17 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.787 0.173 18281 13925 1 17 . 1 1 135 135 LYS C C 135 178.310 178.310 178.530 -0.220 18281 13926 1 17 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.638 -0.308 18281 13927 1 17 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.302 -0.122 18281 13928 1 17 . 1 1 135 135 LYS H H 135 8.310 8.310 8.175 0.135 18281 13929 1 17 . 1 1 136 136 ALA N N 136 121.150 121.150 120.282 0.868 18281 13930 1 17 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.023 0.207 18281 13931 1 17 . 1 1 136 136 ALA C C 136 180.930 180.930 179.638 1.292 18281 13932 1 17 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.974 0.047 18281 13933 1 17 . 1 1 136 136 ALA CB C 136 17.750 17.750 17.949 -0.199 18281 13934 1 17 . 1 1 136 136 ALA H H 136 7.950 7.950 7.947 0.003 18281 13935 1 17 . 1 1 137 137 GLY N N 137 105.640 105.640 105.731 -0.091 18281 13936 1 17 . 1 1 137 137 GLY C C 137 177.000 177.000 176.067 0.933 18281 13937 1 17 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.286 -0.126 18281 13938 1 17 . 1 1 137 137 GLY H H 137 7.930 7.930 7.813 0.117 18281 13939 1 17 . 1 1 138 138 LYS N N 138 124.210 124.210 122.065 2.145 18281 13940 1 17 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.195 0.035 18281 13941 1 17 . 1 1 138 138 LYS C C 138 178.860 178.860 179.347 -0.487 18281 13942 1 17 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.013 0.777 18281 13943 1 17 . 1 1 138 138 LYS CB C 138 32.670 32.670 31.726 0.944 18281 13944 1 17 . 1 1 138 138 LYS H H 138 7.960 7.960 7.333 0.627 18281 13945 1 17 . 1 1 139 139 GLU N N 139 119.720 119.720 119.289 0.431 18281 13946 1 17 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.093 0.047 18281 13947 1 17 . 1 1 139 139 GLU C C 139 179.710 179.710 178.881 0.829 18281 13948 1 17 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.153 0.027 18281 13949 1 17 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.128 0.172 18281 13950 1 17 . 1 1 139 139 GLU H H 139 8.370 8.370 7.871 0.499 18281 13951 1 17 . 1 1 140 140 LYS N N 140 120.270 120.270 120.344 -0.074 18281 13952 1 17 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.936 0.174 18281 13953 1 17 . 1 1 140 140 LYS C C 140 179.210 179.210 178.870 0.340 18281 13954 1 17 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.859 -0.249 18281 13955 1 17 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.384 -0.004 18281 13956 1 17 . 1 1 140 140 LYS H H 140 8.140 8.140 7.999 0.141 18281 13957 1 17 . 1 1 141 141 ALA N N 141 121.910 121.910 121.003 0.907 18281 13958 1 17 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.094 -0.054 18281 13959 1 17 . 1 1 141 141 ALA C C 141 179.530 179.530 179.585 -0.055 18281 13960 1 17 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.952 0.068 18281 13961 1 17 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.253 0.126 18281 13962 1 17 . 1 1 141 141 ALA H H 141 7.730 7.730 7.711 0.019 18281 13963 1 17 . 1 1 142 142 ALA N N 142 120.440 120.440 121.360 -0.920 18281 13964 1 17 . 1 1 142 142 ALA HA H 142 3.880 3.880 3.889 -0.009 18281 13965 1 17 . 1 1 142 142 ALA C C 142 180.080 180.080 178.819 1.261 18281 13966 1 17 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.054 -0.154 18281 13967 1 17 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.249 -0.019 18281 13968 1 17 . 1 1 142 142 ALA H H 142 8.280 8.280 7.951 0.329 18281 13969 1 17 . 1 1 143 143 HIS N N 143 118.280 118.280 118.644 -0.364 18281 13970 1 17 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.258 0.092 18281 13971 1 17 . 1 1 143 143 HIS C C 143 177.350 177.350 177.255 0.095 18281 13972 1 17 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.183 0.247 18281 13973 1 17 . 1 1 143 143 HIS CB C 143 30.750 30.750 30.059 0.691 18281 13974 1 17 . 1 1 143 143 HIS H H 143 8.030 8.030 8.037 -0.007 18281 13975 1 17 . 1 1 144 144 LEU N N 144 118.820 118.820 120.566 -1.746 18281 13976 1 17 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.719 0.191 18281 13977 1 17 . 1 1 144 144 LEU C C 144 179.040 179.040 178.207 0.833 18281 13978 1 17 . 1 1 144 144 LEU CA C 144 58.080 58.080 58.336 -0.256 18281 13979 1 17 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.479 -0.519 18281 13980 1 17 . 1 1 144 144 LEU H H 144 7.700 7.700 7.672 0.028 18281 13981 1 17 . 1 1 145 145 PHE N N 145 116.920 116.920 117.031 -0.111 18281 13982 1 17 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.043 -0.043 18281 13983 1 17 . 1 1 145 145 PHE C C 145 177.900 177.900 177.787 0.113 18281 13984 1 17 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.507 -0.357 18281 13985 1 17 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.732 0.018 18281 13986 1 17 . 1 1 145 145 PHE H H 145 8.100 8.100 7.635 0.465 18281 13987 1 17 . 1 1 146 146 LYS N N 146 119.710 119.710 119.755 -0.045 18281 13988 1 17 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.079 0.051 18281 13989 1 17 . 1 1 146 146 LYS C C 146 177.750 177.750 178.439 -0.689 18281 13990 1 17 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.653 -0.752 18281 13991 1 17 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.101 0.179 18281 13992 1 17 . 1 1 146 146 LYS H H 146 8.040 8.040 7.393 0.647 18281 13993 1 17 . 1 1 147 147 LEU N N 147 118.970 118.970 119.474 -0.504 18281 13994 1 17 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.737 0.263 18281 13995 1 17 . 1 1 147 147 LEU C C 147 180.460 180.460 179.013 1.447 18281 13996 1 17 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.321 0.149 18281 13997 1 17 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.035 1.365 18281 13998 1 17 . 1 1 147 147 LEU H H 147 7.960 7.960 7.375 0.585 18281 13999 1 17 . 1 1 148 148 ILE N N 148 121.410 121.410 120.012 1.398 18281 14000 1 17 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.714 -0.174 18281 14001 1 17 . 1 1 148 148 ILE C C 148 177.030 177.030 178.222 -1.192 18281 14002 1 17 . 1 1 148 148 ILE CA C 148 65.400 65.400 66.219 -0.819 18281 14003 1 17 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.611 0.079 18281 14004 1 17 . 1 1 148 148 ILE H H 148 8.200 8.200 8.034 0.166 18281 14005 1 17 . 1 1 149 149 GLU N N 149 120.450 120.450 120.514 -0.064 18281 14006 1 17 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.033 -0.353 18281 14007 1 17 . 1 1 149 149 GLU C C 149 178.540 178.540 179.306 -0.766 18281 14008 1 17 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.622 0.698 18281 14009 1 17 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.533 -0.703 18281 14010 1 17 . 1 1 149 149 GLU H H 149 8.680 8.680 8.515 0.165 18281 14011 1 17 . 1 1 150 150 GLY N N 150 104.450 104.450 107.416 -2.966 18281 14012 1 17 . 1 1 150 150 GLY C C 150 175.670 175.670 176.427 -0.757 18281 14013 1 17 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.830 0.420 18281 14014 1 17 . 1 1 150 150 GLY H H 150 8.180 8.180 7.606 0.574 18281 14015 1 17 . 1 1 151 151 TYR N N 151 122.120 122.120 122.381 -0.261 18281 14016 1 17 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.528 -0.148 18281 14017 1 17 . 1 1 151 151 TYR C C 151 179.360 179.360 178.781 0.579 18281 14018 1 17 . 1 1 151 151 TYR CA C 151 62.320 62.320 59.224 3.096 18281 14019 1 17 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.869 -1.479 18281 14020 1 17 . 1 1 151 151 TYR H H 151 7.910 7.910 8.109 -0.199 18281 14021 1 17 . 1 1 152 152 LEU N N 152 120.020 120.020 117.691 2.329 18281 14022 1 17 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.292 -0.262 18281 14023 1 17 . 1 1 152 152 LEU C C 152 180.320 180.320 179.210 1.110 18281 14024 1 17 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.454 0.306 18281 14025 1 17 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.585 -0.585 18281 14026 1 17 . 1 1 152 152 LEU H H 152 8.630 8.630 8.631 -0.001 18281 14027 1 17 . 1 1 153 153 LYS N N 153 119.730 119.730 119.782 -0.052 18281 14028 1 17 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.172 -0.202 18281 14029 1 17 . 1 1 153 153 LYS C C 153 178.150 178.150 177.478 0.672 18281 14030 1 17 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.700 0.700 18281 14031 1 17 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.893 -0.543 18281 14032 1 17 . 1 1 153 153 LYS H H 153 8.260 8.260 7.656 0.604 18281 14033 1 17 . 1 1 154 154 ASP N N 154 117.020 117.020 115.752 1.268 18281 14034 1 17 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.699 -0.699 18281 14035 1 17 . 1 1 154 154 ASP C C 154 175.660 175.660 176.432 -0.772 18281 14036 1 17 . 1 1 154 154 ASP CA C 154 55.030 55.030 53.612 1.418 18281 14037 1 17 . 1 1 154 154 ASP H H 154 7.560 7.560 7.902 -0.342 18281 14038 1 17 . 1 1 155 155 HIS N N 155 117.160 117.160 121.892 -4.732 18281 14039 1 17 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.590 0.310 18281 14040 1 17 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.471 -1.321 18281 14041 1 17 . 1 1 155 155 HIS CB C 155 27.990 27.990 30.535 -2.545 18281 14042 1 17 . 1 1 155 155 HIS H H 155 7.430 7.430 7.636 -0.206 18281 14043 1 18 . 1 1 3 3 VAL N N 3 119.910 119.910 121.076 -1.166 18281 14044 1 18 . 1 1 3 3 VAL HA H 3 4.920 4.920 3.998 0.922 18281 14045 1 18 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.437 -0.417 18281 14046 1 18 . 1 1 3 3 VAL CB C 3 34.130 34.130 32.896 1.234 18281 14047 1 18 . 1 1 3 3 VAL H H 3 7.630 7.630 7.859 -0.229 18281 14048 1 18 . 1 1 4 4 TYR N N 4 119.930 119.930 124.005 -4.075 18281 14049 1 18 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.715 -0.045 18281 14050 1 18 . 1 1 4 4 TYR C C 4 174.670 174.670 175.618 -0.948 18281 14051 1 18 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.981 0.489 18281 14052 1 18 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.715 0.555 18281 14053 1 18 . 1 1 4 4 TYR H H 4 8.660 8.660 8.282 0.378 18281 14054 1 18 . 1 1 5 5 THR N N 5 119.930 119.930 118.650 1.280 18281 14055 1 18 . 1 1 5 5 THR HA H 5 5.290 5.290 4.830 0.460 18281 14056 1 18 . 1 1 5 5 THR C C 5 173.180 173.180 173.448 -0.268 18281 14057 1 18 . 1 1 5 5 THR CA C 5 61.780 61.780 62.042 -0.262 18281 14058 1 18 . 1 1 5 5 THR CB C 5 70.360 70.360 70.004 0.356 18281 14059 1 18 . 1 1 5 5 THR H H 5 8.230 8.230 8.462 -0.232 18281 14060 1 18 . 1 1 6 6 TYR N N 6 125.060 125.060 126.418 -1.358 18281 14061 1 18 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.811 0.479 18281 14062 1 18 . 1 1 6 6 TYR C C 6 174.380 174.380 173.222 1.158 18281 14063 1 18 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.858 0.252 18281 14064 1 18 . 1 1 6 6 TYR CB C 6 41.850 41.850 42.491 -0.641 18281 14065 1 18 . 1 1 6 6 TYR H H 6 9.210 9.210 8.542 0.668 18281 14066 1 18 . 1 1 7 7 GLU N N 7 122.360 122.360 127.092 -4.732 18281 14067 1 18 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.748 0.612 18281 14068 1 18 . 1 1 7 7 GLU C C 7 175.390 175.390 174.354 1.036 18281 14069 1 18 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.507 0.473 18281 14070 1 18 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.404 0.646 18281 14071 1 18 . 1 1 7 7 GLU H H 7 8.830 8.830 7.936 0.894 18281 14072 1 18 . 1 1 8 8 ASN N N 8 119.960 119.960 124.539 -4.579 18281 14073 1 18 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.065 0.035 18281 14074 1 18 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.143 0.477 18281 14075 1 18 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.886 1.324 18281 14076 1 18 . 1 1 8 8 ASN H H 8 8.800 8.800 9.180 -0.380 18281 14077 1 18 . 1 1 9 9 GLU N N 9 121.420 121.420 125.409 -3.989 18281 14078 1 18 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.810 0.790 18281 14079 1 18 . 1 1 9 9 GLU C C 9 174.590 174.590 175.166 -0.576 18281 14080 1 18 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.614 -0.844 18281 14081 1 18 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.104 2.646 18281 14082 1 18 . 1 1 9 9 GLU H H 9 8.330 8.330 8.783 -0.453 18281 14083 1 18 . 1 1 10 10 PHE N N 10 121.240 121.240 125.966 -4.726 18281 14084 1 18 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.902 0.118 18281 14085 1 18 . 1 1 10 10 PHE C C 10 173.880 173.880 173.613 0.267 18281 14086 1 18 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.251 -1.701 18281 14087 1 18 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.270 -1.800 18281 14088 1 18 . 1 1 10 10 PHE H H 10 8.760 8.760 9.242 -0.482 18281 14089 1 18 . 1 1 11 11 THR N N 11 113.110 113.110 118.531 -5.421 18281 14090 1 18 . 1 1 11 11 THR HA H 11 5.170 5.170 4.877 0.293 18281 14091 1 18 . 1 1 11 11 THR C C 11 173.530 173.530 173.432 0.098 18281 14092 1 18 . 1 1 11 11 THR CA C 11 60.940 60.940 59.974 0.966 18281 14093 1 18 . 1 1 11 11 THR CB C 11 71.260 71.260 70.576 0.684 18281 14094 1 18 . 1 1 11 11 THR H H 11 8.470 8.470 7.633 0.837 18281 14095 1 18 . 1 1 12 12 SER N N 12 115.490 115.490 119.089 -3.599 18281 14096 1 18 . 1 1 12 12 SER C C 12 173.530 173.530 173.468 0.062 18281 14097 1 18 . 1 1 12 12 SER CA C 12 56.460 56.460 56.161 0.299 18281 14098 1 18 . 1 1 12 12 SER CB C 12 66.320 66.320 66.609 -0.289 18281 14099 1 18 . 1 1 12 12 SER H H 12 8.870 8.870 8.895 -0.025 18281 14100 1 18 . 1 1 13 13 ASP N N 13 126.650 126.650 121.819 4.831 18281 14101 1 18 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.686 0.054 18281 14102 1 18 . 1 1 13 13 ASP C C 13 174.520 174.520 176.329 -1.809 18281 14103 1 18 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.422 0.608 18281 14104 1 18 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.038 -0.039 18281 14105 1 18 . 1 1 13 13 ASP H H 13 9.060 9.060 8.494 0.566 18281 14106 1 18 . 1 1 14 14 ILE N N 14 123.580 123.580 116.594 6.986 18281 14107 1 18 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.894 0.456 18281 14108 1 18 . 1 1 14 14 ILE CA C 14 57.390 57.390 60.619 -3.229 18281 14109 1 18 . 1 1 14 14 ILE CB C 14 37.340 37.340 36.629 0.711 18281 14110 1 18 . 1 1 14 14 ILE H H 14 8.470 8.470 8.285 0.185 18281 14111 1 18 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.579 -0.139 18281 14112 1 18 . 1 1 15 15 PRO C C 15 177.130 177.130 177.772 -0.642 18281 14113 1 18 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.307 0.763 18281 14114 1 18 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.818 0.632 18281 14115 1 18 . 1 1 16 16 ALA N N 16 126.780 126.780 125.708 1.072 18281 14116 1 18 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.966 0.034 18281 14117 1 18 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.126 -0.026 18281 14118 1 18 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.073 0.227 18281 14119 1 18 . 1 1 16 16 ALA H H 16 8.570 8.570 8.448 0.122 18281 14120 1 18 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.299 -0.399 18281 14121 1 18 . 1 1 17 17 PRO C C 17 179.610 179.610 179.019 0.591 18281 14122 1 18 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.383 0.627 18281 14123 1 18 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.048 -0.148 18281 14124 1 18 . 1 1 18 18 LYS N N 18 116.630 116.630 119.279 -2.649 18281 14125 1 18 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.251 -0.111 18281 14126 1 18 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.380 -0.110 18281 14127 1 18 . 1 1 18 18 LYS CB C 18 32.320 32.320 32.266 0.055 18281 14128 1 18 . 1 1 18 18 LYS H H 18 6.710 6.710 7.937 -1.227 18281 14129 1 18 . 1 1 19 19 LEU N N 19 118.930 118.930 119.907 -0.977 18281 14130 1 18 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.247 -0.407 18281 14131 1 18 . 1 1 19 19 LEU C C 19 178.380 178.380 178.019 0.361 18281 14132 1 18 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.874 0.555 18281 14133 1 18 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.972 0.118 18281 14134 1 18 . 1 1 19 19 LEU H H 19 7.950 7.950 8.172 -0.222 18281 14135 1 18 . 1 1 20 20 PHE N N 20 118.660 118.660 119.385 -0.725 18281 14136 1 18 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.154 -0.303 18281 14137 1 18 . 1 1 20 20 PHE C C 20 177.680 177.680 178.334 -0.654 18281 14138 1 18 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.882 0.998 18281 14139 1 18 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.125 0.295 18281 14140 1 18 . 1 1 20 20 PHE H H 20 9.040 9.040 8.470 0.570 18281 14141 1 18 . 1 1 21 21 LYS N N 21 118.430 118.430 120.066 -1.636 18281 14142 1 18 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.972 -0.202 18281 14143 1 18 . 1 1 21 21 LYS C C 21 176.400 176.400 177.325 -0.925 18281 14144 1 18 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.761 0.399 18281 14145 1 18 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.584 0.416 18281 14146 1 18 . 1 1 21 21 LYS H H 21 7.630 7.630 8.479 -0.849 18281 14147 1 18 . 1 1 22 22 ALA N N 22 118.710 118.710 117.423 1.287 18281 14148 1 18 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.596 0.174 18281 14149 1 18 . 1 1 22 22 ALA C C 22 175.450 175.450 177.330 -1.880 18281 14150 1 18 . 1 1 22 22 ALA CA C 22 55.540 55.540 51.825 3.715 18281 14151 1 18 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.616 1.585 18281 14152 1 18 . 1 1 22 22 ALA H H 22 7.390 7.390 7.535 -0.145 18281 14153 1 18 . 1 1 23 23 PHE N N 23 109.720 109.720 119.163 -9.443 18281 14154 1 18 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.358 -0.118 18281 14155 1 18 . 1 1 23 23 PHE C C 23 174.130 174.130 175.278 -1.148 18281 14156 1 18 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.375 -2.055 18281 14157 1 18 . 1 1 23 23 PHE CB C 23 40.440 40.440 41.364 -0.924 18281 14158 1 18 . 1 1 23 23 PHE H H 23 8.400 8.400 7.808 0.592 18281 14159 1 18 . 1 1 24 24 VAL N N 24 113.250 113.250 112.762 0.488 18281 14160 1 18 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.593 -0.273 18281 14161 1 18 . 1 1 24 24 VAL C C 24 177.660 177.660 176.233 1.427 18281 14162 1 18 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.920 0.580 18281 14163 1 18 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.769 -1.889 18281 14164 1 18 . 1 1 24 24 VAL H H 24 7.220 7.220 7.277 -0.057 18281 14165 1 18 . 1 1 25 25 LEU N N 25 116.250 116.250 122.301 -6.051 18281 14166 1 18 . 1 1 25 25 LEU HA H 25 3.890 3.890 3.986 -0.096 18281 14167 1 18 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.972 -0.062 18281 14168 1 18 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.069 -1.069 18281 14169 1 18 . 1 1 25 25 LEU H H 25 7.180 7.180 7.208 -0.028 18281 14170 1 18 . 1 1 26 26 ASP N N 26 117.160 117.160 117.085 0.075 18281 14171 1 18 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.481 0.819 18281 14172 1 18 . 1 1 26 26 ASP C C 26 177.300 177.300 177.066 0.234 18281 14173 1 18 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.633 -1.463 18281 14174 1 18 . 1 1 26 26 ASP CB C 26 42.920 42.920 39.564 3.356 18281 14175 1 18 . 1 1 26 26 ASP H H 26 8.070 8.070 7.688 0.382 18281 14176 1 18 . 1 1 27 27 ALA N N 27 123.040 123.040 122.682 0.358 18281 14177 1 18 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.799 -0.039 18281 14178 1 18 . 1 1 27 27 ALA C C 27 178.900 178.900 178.775 0.125 18281 14179 1 18 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.480 1.560 18281 14180 1 18 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.235 1.195 18281 14181 1 18 . 1 1 27 27 ALA H H 27 6.360 6.360 7.885 -1.525 18281 14182 1 18 . 1 1 28 28 ASP N N 28 115.060 115.060 118.494 -3.434 18281 14183 1 18 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.220 -0.240 18281 14184 1 18 . 1 1 28 28 ASP C C 28 175.850 175.850 177.010 -1.160 18281 14185 1 18 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.339 -1.799 18281 14186 1 18 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.214 -0.574 18281 14187 1 18 . 1 1 28 28 ASP H H 28 8.290 8.290 8.046 0.244 18281 14188 1 18 . 1 1 29 29 ASN N N 29 113.110 113.110 114.921 -1.811 18281 14189 1 18 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.646 0.084 18281 14190 1 18 . 1 1 29 29 ASN C C 29 176.430 176.430 177.001 -0.571 18281 14191 1 18 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.286 -0.676 18281 14192 1 18 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.280 0.980 18281 14193 1 18 . 1 1 29 29 ASN H H 29 7.360 7.360 7.920 -0.560 18281 14194 1 18 . 1 1 30 30 LEU N N 30 120.630 120.630 121.869 -1.239 18281 14195 1 18 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.974 0.046 18281 14196 1 18 . 1 1 30 30 LEU CA C 30 57.800 57.800 56.873 0.927 18281 14197 1 18 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.274 1.506 18281 14198 1 18 . 1 1 30 30 LEU H H 30 8.320 8.320 8.426 -0.106 18281 14199 1 18 . 1 1 31 31 ILE N N 31 116.170 116.170 119.708 -3.538 18281 14200 1 18 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.643 0.007 18281 14201 1 18 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.514 -0.714 18281 14202 1 18 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.212 -1.302 18281 14203 1 18 . 1 1 31 31 ILE H H 31 8.140 8.140 8.201 -0.061 18281 14204 1 18 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.232 0.288 18281 14205 1 18 . 1 1 32 32 PRO C C 32 177.680 177.680 177.849 -0.169 18281 14206 1 18 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.799 0.721 18281 14207 1 18 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.241 0.279 18281 14208 1 18 . 1 1 33 33 LYS N N 33 112.410 112.410 118.020 -5.610 18281 14209 1 18 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.093 0.057 18281 14210 1 18 . 1 1 33 33 LYS C C 33 178.220 178.220 178.143 0.077 18281 14211 1 18 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.749 -0.459 18281 14212 1 18 . 1 1 33 33 LYS CB C 33 32.910 32.910 31.967 0.943 18281 14213 1 18 . 1 1 33 33 LYS H H 33 6.880 6.880 7.126 -0.246 18281 14214 1 18 . 1 1 34 34 ILE N N 34 112.260 112.260 117.303 -5.043 18281 14215 1 18 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.962 0.358 18281 14216 1 18 . 1 1 34 34 ILE C C 34 175.920 175.920 176.430 -0.510 18281 14217 1 18 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.494 -1.674 18281 14218 1 18 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.557 0.793 18281 14219 1 18 . 1 1 34 34 ILE H H 34 7.560 7.560 7.497 0.063 18281 14220 1 18 . 1 1 35 35 ALA N N 35 124.420 124.420 120.308 4.112 18281 14221 1 18 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.796 0.174 18281 14222 1 18 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.896 0.464 18281 14223 1 18 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.620 0.640 18281 14224 1 18 . 1 1 35 35 ALA H H 35 8.820 8.820 7.365 1.455 18281 14225 1 18 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.367 0.363 18281 14226 1 18 . 1 1 36 36 PRO C C 36 177.890 177.890 177.931 -0.041 18281 14227 1 18 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.573 -0.333 18281 14228 1 18 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.413 -0.733 18281 14229 1 18 . 1 1 37 37 GLN N N 37 115.580 115.580 117.325 -1.745 18281 14230 1 18 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.150 0.100 18281 14231 1 18 . 1 1 37 37 GLN C C 37 177.740 177.740 176.976 0.764 18281 14232 1 18 . 1 1 37 37 GLN CA C 37 57.310 57.310 58.036 -0.726 18281 14233 1 18 . 1 1 37 37 GLN CB C 37 27.520 27.520 28.003 -0.483 18281 14234 1 18 . 1 1 37 37 GLN H H 37 8.660 8.660 8.432 0.228 18281 14235 1 18 . 1 1 38 38 ALA N N 38 123.250 123.250 120.454 2.796 18281 14236 1 18 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.428 -0.038 18281 14237 1 18 . 1 1 38 38 ALA C C 38 177.850 177.850 177.350 0.500 18281 14238 1 18 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.723 -0.223 18281 14239 1 18 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.352 0.478 18281 14240 1 18 . 1 1 38 38 ALA H H 38 8.030 8.030 7.449 0.581 18281 14241 1 18 . 1 1 39 39 VAL N N 39 117.330 117.330 115.206 2.124 18281 14242 1 18 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.350 -0.220 18281 14243 1 18 . 1 1 39 39 VAL C C 39 172.750 172.750 174.526 -1.776 18281 14244 1 18 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.088 2.362 18281 14245 1 18 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.973 -1.343 18281 14246 1 18 . 1 1 39 39 VAL H H 39 7.660 7.660 7.315 0.345 18281 14247 1 18 . 1 1 40 40 LYS N N 40 125.270 125.270 125.233 0.037 18281 14248 1 18 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.158 0.302 18281 14249 1 18 . 1 1 40 40 LYS C C 40 177.240 177.240 176.438 0.802 18281 14250 1 18 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.759 -1.309 18281 14251 1 18 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.107 0.893 18281 14252 1 18 . 1 1 40 40 LYS H H 40 8.910 8.910 8.465 0.445 18281 14253 1 18 . 1 1 41 41 CYS N N 41 112.210 112.210 115.146 -2.936 18281 14254 1 18 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.366 0.194 18281 14255 1 18 . 1 1 41 41 CYS C C 41 170.900 170.900 172.589 -1.689 18281 14256 1 18 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.137 -2.117 18281 14257 1 18 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.125 -0.325 18281 14258 1 18 . 1 1 41 41 CYS H H 41 7.680 7.680 7.812 -0.132 18281 14259 1 18 . 1 1 42 42 ALA N N 42 125.620 125.620 127.910 -2.290 18281 14260 1 18 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.737 0.483 18281 14261 1 18 . 1 1 42 42 ALA C C 42 175.690 175.690 176.293 -0.603 18281 14262 1 18 . 1 1 42 42 ALA CA C 42 50.980 50.980 50.969 0.011 18281 14263 1 18 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.830 2.170 18281 14264 1 18 . 1 1 42 42 ALA H H 42 8.700 8.700 8.589 0.111 18281 14265 1 18 . 1 1 43 43 GLU N N 43 120.730 120.730 123.273 -2.543 18281 14266 1 18 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.683 -0.023 18281 14267 1 18 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.651 -0.282 18281 14268 1 18 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.364 0.756 18281 14269 1 18 . 1 1 43 43 GLU H H 43 8.810 8.810 8.318 0.492 18281 14270 1 18 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.488 -0.448 18281 14271 1 18 . 1 1 44 44 ILE C C 44 176.190 176.190 175.938 0.252 18281 14272 1 18 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.717 1.273 18281 14273 1 18 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.508 -0.728 18281 14274 1 18 . 1 1 45 45 LEU N N 45 129.030 129.030 129.513 -0.483 18281 14275 1 18 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.233 0.217 18281 14276 1 18 . 1 1 45 45 LEU C C 45 177.270 177.270 176.708 0.562 18281 14277 1 18 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.694 -0.684 18281 14278 1 18 . 1 1 45 45 LEU CB C 45 42.480 42.480 43.042 -0.562 18281 14279 1 18 . 1 1 45 45 LEU H H 45 9.090 9.090 9.059 0.031 18281 14280 1 18 . 1 1 46 46 GLU N N 46 116.640 116.640 113.556 3.084 18281 14281 1 18 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.464 0.146 18281 14282 1 18 . 1 1 46 46 GLU C C 46 174.840 174.840 175.498 -0.658 18281 14283 1 18 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.425 0.185 18281 14284 1 18 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.850 0.720 18281 14285 1 18 . 1 1 46 46 GLU H H 46 7.700 7.700 7.509 0.191 18281 14286 1 18 . 1 1 47 47 GLY N N 47 110.230 110.230 110.235 -0.005 18281 14287 1 18 . 1 1 47 47 GLY C C 47 173.630 173.630 173.866 -0.236 18281 14288 1 18 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.752 -1.072 18281 14289 1 18 . 1 1 47 47 GLY H H 47 8.620 8.620 8.795 -0.175 18281 14290 1 18 . 1 1 48 48 ASP N N 48 115.220 115.220 120.734 -5.514 18281 14291 1 18 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.367 0.403 18281 14292 1 18 . 1 1 48 48 ASP C C 48 177.340 177.340 175.930 1.410 18281 14293 1 18 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.789 -1.869 18281 14294 1 18 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.262 2.418 18281 14295 1 18 . 1 1 48 48 ASP H H 48 7.960 7.960 8.435 -0.475 18281 14296 1 18 . 1 1 49 49 GLY N N 49 110.900 110.900 102.144 8.756 18281 14297 1 18 . 1 1 49 49 GLY C C 49 174.750 174.750 174.248 0.502 18281 14298 1 18 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.253 0.057 18281 14299 1 18 . 1 1 49 49 GLY H H 49 8.750 8.750 8.479 0.271 18281 14300 1 18 . 1 1 50 50 GLY N N 50 107.020 107.020 108.162 -1.142 18281 14301 1 18 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.832 0.768 18281 14302 1 18 . 1 1 50 50 GLY H H 50 8.300 8.300 8.408 -0.108 18281 14303 1 18 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.314 -0.354 18281 14304 1 18 . 1 1 51 51 PRO C C 51 176.780 176.780 177.676 -0.896 18281 14305 1 18 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.461 1.539 18281 14306 1 18 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.624 0.246 18281 14307 1 18 . 1 1 52 52 GLY N N 52 114.320 114.320 114.356 -0.036 18281 14308 1 18 . 1 1 52 52 GLY C C 52 174.170 174.170 174.177 -0.007 18281 14309 1 18 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.651 -0.972 18281 14310 1 18 . 1 1 52 52 GLY H H 52 9.240 9.240 8.924 0.316 18281 14311 1 18 . 1 1 53 53 THR N N 53 118.900 118.900 115.945 2.955 18281 14312 1 18 . 1 1 53 53 THR HA H 53 4.660 4.660 4.633 0.027 18281 14313 1 18 . 1 1 53 53 THR C C 53 173.510 173.510 174.208 -0.698 18281 14314 1 18 . 1 1 53 53 THR CA C 53 64.580 64.580 62.579 2.001 18281 14315 1 18 . 1 1 53 53 THR CB C 53 70.070 70.070 69.906 0.164 18281 14316 1 18 . 1 1 53 53 THR H H 53 7.910 7.910 7.427 0.483 18281 14317 1 18 . 1 1 54 54 ILE N N 54 124.830 124.830 125.019 -0.189 18281 14318 1 18 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.524 0.786 18281 14319 1 18 . 1 1 54 54 ILE C C 54 175.260 175.260 174.845 0.415 18281 14320 1 18 . 1 1 54 54 ILE CA C 54 59.870 59.870 58.815 1.055 18281 14321 1 18 . 1 1 54 54 ILE CB C 54 39.450 39.450 38.923 0.527 18281 14322 1 18 . 1 1 54 54 ILE H H 54 8.550 8.550 8.467 0.083 18281 14323 1 18 . 1 1 55 55 LYS N N 55 126.970 126.970 125.228 1.742 18281 14324 1 18 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.303 -0.003 18281 14325 1 18 . 1 1 55 55 LYS C C 55 173.950 173.950 175.202 -1.252 18281 14326 1 18 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.343 -0.513 18281 14327 1 18 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.436 0.294 18281 14328 1 18 . 1 1 55 55 LYS H H 55 9.400 9.400 8.656 0.744 18281 14329 1 18 . 1 1 56 56 LYS N N 56 124.220 124.220 123.906 0.314 18281 14330 1 18 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.654 0.626 18281 14331 1 18 . 1 1 56 56 LYS C C 56 175.230 175.230 174.469 0.761 18281 14332 1 18 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.465 -0.675 18281 14333 1 18 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.626 0.434 18281 14334 1 18 . 1 1 56 56 LYS H H 56 9.360 9.360 8.947 0.413 18281 14335 1 18 . 1 1 57 57 ILE N N 57 132.380 132.380 127.816 4.564 18281 14336 1 18 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.354 0.286 18281 14337 1 18 . 1 1 57 57 ILE C C 57 174.840 174.840 174.538 0.302 18281 14338 1 18 . 1 1 57 57 ILE CA C 57 60.480 60.480 59.750 0.730 18281 14339 1 18 . 1 1 57 57 ILE CB C 57 39.270 39.270 40.842 -1.572 18281 14340 1 18 . 1 1 57 57 ILE H H 57 9.240 9.240 9.144 0.096 18281 14341 1 18 . 1 1 58 58 THR N N 58 122.310 122.310 117.235 5.075 18281 14342 1 18 . 1 1 58 58 THR HA H 58 5.180 5.180 4.724 0.456 18281 14343 1 18 . 1 1 58 58 THR C C 58 174.260 174.260 173.112 1.148 18281 14344 1 18 . 1 1 58 58 THR CA C 58 61.720 61.720 59.944 1.776 18281 14345 1 18 . 1 1 58 58 THR CB C 58 70.640 70.640 70.745 -0.105 18281 14346 1 18 . 1 1 58 58 THR H H 58 8.720 8.720 8.025 0.695 18281 14347 1 18 . 1 1 59 59 PHE N N 59 124.570 124.570 124.521 0.049 18281 14348 1 18 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.745 0.275 18281 14349 1 18 . 1 1 59 59 PHE C C 59 174.510 174.510 176.800 -2.290 18281 14350 1 18 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.391 -0.941 18281 14351 1 18 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.545 -0.535 18281 14352 1 18 . 1 1 59 59 PHE H H 59 8.570 8.570 8.510 0.060 18281 14353 1 18 . 1 1 60 60 GLY N N 60 104.600 104.600 113.584 -8.984 18281 14354 1 18 . 1 1 60 60 GLY C C 60 173.500 173.500 172.830 0.670 18281 14355 1 18 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.905 -0.075 18281 14356 1 18 . 1 1 60 60 GLY H H 60 7.800 7.800 8.556 -0.756 18281 14357 1 18 . 1 1 61 61 GLU N N 61 119.400 119.400 120.293 -0.893 18281 14358 1 18 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.478 -0.368 18281 14359 1 18 . 1 1 61 61 GLU CA C 61 56.800 56.800 54.731 2.069 18281 14360 1 18 . 1 1 61 61 GLU CB C 61 30.940 30.940 31.525 -0.585 18281 14361 1 18 . 1 1 61 61 GLU H H 61 8.290 8.290 8.318 -0.028 18281 14362 1 18 . 1 1 62 62 GLY N N 62 110.940 110.940 108.819 2.121 18281 14363 1 18 . 1 1 62 62 GLY CA C 62 46.200 46.200 46.967 -0.767 18281 14364 1 18 . 1 1 62 62 GLY H H 62 8.870 8.870 8.673 0.197 18281 14365 1 18 . 1 1 66 66 GLY C C 66 176.930 176.930 172.056 4.874 18281 14366 1 18 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.584 -0.504 18281 14367 1 18 . 1 1 67 67 TYR N N 67 115.490 115.490 121.260 -5.770 18281 14368 1 18 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.560 0.020 18281 14369 1 18 . 1 1 67 67 TYR C C 67 175.470 175.470 173.595 1.875 18281 14370 1 18 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.864 0.056 18281 14371 1 18 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.066 0.654 18281 14372 1 18 . 1 1 67 67 TYR H H 67 8.110 8.110 7.777 0.333 18281 14373 1 18 . 1 1 68 68 VAL N N 68 111.980 111.980 121.426 -9.446 18281 14374 1 18 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.689 0.331 18281 14375 1 18 . 1 1 68 68 VAL C C 68 175.480 175.480 175.030 0.450 18281 14376 1 18 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.903 -1.403 18281 14377 1 18 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.954 0.506 18281 14378 1 18 . 1 1 68 68 VAL H H 68 8.840 8.840 9.059 -0.219 18281 14379 1 18 . 1 1 69 69 LYS N N 69 118.430 118.430 123.732 -5.302 18281 14380 1 18 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.035 0.665 18281 14381 1 18 . 1 1 69 69 LYS C C 69 175.740 175.740 175.339 0.401 18281 14382 1 18 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.622 0.748 18281 14383 1 18 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.611 0.969 18281 14384 1 18 . 1 1 69 69 LYS H H 69 8.590 8.590 8.998 -0.408 18281 14385 1 18 . 1 1 70 70 HIS N N 70 122.590 122.590 121.553 1.037 18281 14386 1 18 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.325 0.865 18281 14387 1 18 . 1 1 70 70 HIS C C 70 174.590 174.590 173.929 0.661 18281 14388 1 18 . 1 1 70 70 HIS CA C 70 51.840 51.840 54.867 -3.027 18281 14389 1 18 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.143 2.867 18281 14390 1 18 . 1 1 70 70 HIS H H 70 9.160 9.160 8.358 0.802 18281 14391 1 18 . 1 1 71 71 LYS N N 71 122.760 122.760 124.400 -1.640 18281 14392 1 18 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.403 0.087 18281 14393 1 18 . 1 1 71 71 LYS C C 71 175.500 175.500 174.858 0.642 18281 14394 1 18 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.062 -0.022 18281 14395 1 18 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.255 -0.386 18281 14396 1 18 . 1 1 71 71 LYS H H 71 9.460 9.460 9.375 0.085 18281 14397 1 18 . 1 1 72 72 ILE N N 72 127.870 127.870 126.304 1.566 18281 14398 1 18 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.297 -0.417 18281 14399 1 18 . 1 1 72 72 ILE C C 72 175.430 175.430 175.814 -0.384 18281 14400 1 18 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.546 1.854 18281 14401 1 18 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.613 -1.573 18281 14402 1 18 . 1 1 72 72 ILE H H 72 9.320 9.320 8.426 0.894 18281 14403 1 18 . 1 1 73 73 HIS N N 73 127.690 127.690 125.585 2.105 18281 14404 1 18 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.669 0.451 18281 14405 1 18 . 1 1 73 73 HIS C C 73 176.240 176.240 174.789 1.451 18281 14406 1 18 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.921 -0.951 18281 14407 1 18 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.822 0.118 18281 14408 1 18 . 1 1 73 73 HIS H H 73 9.080 9.080 8.371 0.709 18281 14409 1 18 . 1 1 74 74 SER N N 74 110.900 110.900 111.483 -0.583 18281 14410 1 18 . 1 1 74 74 SER HA H 74 4.760 4.760 4.619 0.141 18281 14411 1 18 . 1 1 74 74 SER C C 74 172.620 172.620 172.297 0.323 18281 14412 1 18 . 1 1 74 74 SER CA C 74 57.880 57.880 57.963 -0.083 18281 14413 1 18 . 1 1 74 74 SER CB C 74 66.790 66.790 64.409 2.381 18281 14414 1 18 . 1 1 74 74 SER H H 74 8.180 8.180 7.555 0.625 18281 14415 1 18 . 1 1 75 75 ILE N N 75 123.780 123.780 119.745 4.035 18281 14416 1 18 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.034 -0.354 18281 14417 1 18 . 1 1 75 75 ILE C C 75 174.010 174.010 174.542 -0.532 18281 14418 1 18 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.483 2.657 18281 14419 1 18 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.896 -0.586 18281 14420 1 18 . 1 1 75 75 ILE H H 75 8.730 8.730 8.284 0.446 18281 14421 1 18 . 1 1 76 76 ASP N N 76 127.280 127.280 126.307 0.973 18281 14422 1 18 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.046 0.034 18281 14423 1 18 . 1 1 76 76 ASP C C 76 176.680 176.680 175.999 0.681 18281 14424 1 18 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.070 -0.940 18281 14425 1 18 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.433 0.117 18281 14426 1 18 . 1 1 76 76 ASP H H 76 9.110 9.110 9.084 0.026 18281 14427 1 18 . 1 1 77 77 LYS N N 77 122.400 122.400 122.807 -0.407 18281 14428 1 18 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.527 0.453 18281 14429 1 18 . 1 1 77 77 LYS C C 77 175.980 175.980 177.076 -1.096 18281 14430 1 18 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.352 -1.932 18281 14431 1 18 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.410 0.370 18281 14432 1 18 . 1 1 77 77 LYS H H 77 8.890 8.890 8.596 0.294 18281 14433 1 18 . 1 1 78 78 VAL N N 78 119.300 119.300 116.652 2.648 18281 14434 1 18 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.565 0.095 18281 14435 1 18 . 1 1 78 78 VAL C C 78 176.290 176.290 176.325 -0.035 18281 14436 1 18 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.539 -0.119 18281 14437 1 18 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.724 0.376 18281 14438 1 18 . 1 1 78 78 VAL H H 78 8.110 8.110 7.880 0.230 18281 14439 1 18 . 1 1 79 79 ASN N N 79 114.400 114.400 114.844 -0.444 18281 14440 1 18 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.632 -0.152 18281 14441 1 18 . 1 1 79 79 ASN C C 79 173.670 173.670 174.727 -1.057 18281 14442 1 18 . 1 1 79 79 ASN CA C 79 52.540 52.540 53.046 -0.506 18281 14443 1 18 . 1 1 79 79 ASN CB C 79 39.090 39.090 38.023 1.067 18281 14444 1 18 . 1 1 79 79 ASN H H 79 7.700 7.700 7.861 -0.161 18281 14445 1 18 . 1 1 80 80 HIS N N 80 115.530 115.530 114.329 1.201 18281 14446 1 18 . 1 1 80 80 HIS C C 80 173.450 173.450 173.390 0.060 18281 14447 1 18 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.958 -0.428 18281 14448 1 18 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.638 0.562 18281 14449 1 18 . 1 1 80 80 HIS H H 80 6.980 6.980 7.528 -0.548 18281 14450 1 18 . 1 1 81 81 THR N N 81 109.600 109.600 113.627 -4.027 18281 14451 1 18 . 1 1 81 81 THR HA H 81 5.730 5.730 4.817 0.913 18281 14452 1 18 . 1 1 81 81 THR C C 81 172.980 172.980 172.823 0.157 18281 14453 1 18 . 1 1 81 81 THR CA C 81 60.190 60.190 61.957 -1.767 18281 14454 1 18 . 1 1 81 81 THR CB C 81 71.740 71.740 71.583 0.157 18281 14455 1 18 . 1 1 81 81 THR H H 81 7.990 7.990 7.850 0.140 18281 14456 1 18 . 1 1 82 82 TYR N N 82 125.000 125.000 127.739 -2.739 18281 14457 1 18 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.897 0.803 18281 14458 1 18 . 1 1 82 82 TYR C C 82 173.600 173.600 173.244 0.356 18281 14459 1 18 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.198 -1.868 18281 14460 1 18 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.092 0.718 18281 14461 1 18 . 1 1 82 82 TYR H H 82 9.300 9.300 9.311 -0.011 18281 14462 1 18 . 1 1 83 83 SER N N 83 121.820 121.820 123.443 -1.623 18281 14463 1 18 . 1 1 83 83 SER HA H 83 5.670 5.670 4.987 0.683 18281 14464 1 18 . 1 1 83 83 SER C C 83 173.490 173.490 172.959 0.531 18281 14465 1 18 . 1 1 83 83 SER CA C 83 56.420 56.420 57.684 -1.264 18281 14466 1 18 . 1 1 83 83 SER CB C 83 65.520 65.520 65.921 -0.401 18281 14467 1 18 . 1 1 83 83 SER H H 83 9.090 9.090 8.078 1.012 18281 14468 1 18 . 1 1 84 84 TYR N N 84 122.970 122.970 120.761 2.209 18281 14469 1 18 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.269 -0.039 18281 14470 1 18 . 1 1 84 84 TYR C C 84 172.530 172.530 173.293 -0.763 18281 14471 1 18 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.427 -0.007 18281 14472 1 18 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.643 -0.693 18281 14473 1 18 . 1 1 84 84 TYR H H 84 8.790 8.790 9.071 -0.281 18281 14474 1 18 . 1 1 85 85 SER N N 85 114.200 114.200 113.396 0.804 18281 14475 1 18 . 1 1 85 85 SER HA H 85 5.700 5.700 5.280 0.420 18281 14476 1 18 . 1 1 85 85 SER C C 85 173.180 173.180 172.636 0.544 18281 14477 1 18 . 1 1 85 85 SER CA C 85 57.510 57.510 57.559 -0.049 18281 14478 1 18 . 1 1 85 85 SER CB C 85 65.940 65.940 67.297 -1.357 18281 14479 1 18 . 1 1 85 85 SER H H 85 9.350 9.350 9.496 -0.146 18281 14480 1 18 . 1 1 86 86 LEU N N 86 128.880 128.880 124.352 4.528 18281 14481 1 18 . 1 1 86 86 LEU HA H 86 5.230 5.230 5.215 0.015 18281 14482 1 18 . 1 1 86 86 LEU C C 86 176.230 176.230 177.184 -0.954 18281 14483 1 18 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.068 1.522 18281 14484 1 18 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.680 0.470 18281 14485 1 18 . 1 1 86 86 LEU H H 86 9.900 9.900 9.063 0.837 18281 14486 1 18 . 1 1 87 87 ILE N N 87 115.900 115.900 126.338 -10.438 18281 14487 1 18 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.009 0.921 18281 14488 1 18 . 1 1 87 87 ILE C C 87 176.080 176.080 176.149 -0.069 18281 14489 1 18 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.538 -3.268 18281 14490 1 18 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.928 0.902 18281 14491 1 18 . 1 1 87 87 ILE H H 87 8.180 8.180 8.667 -0.487 18281 14492 1 18 . 1 1 88 88 GLU N N 88 121.920 121.920 115.754 6.166 18281 14493 1 18 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.549 -0.039 18281 14494 1 18 . 1 1 88 88 GLU C C 88 174.020 174.020 174.357 -0.337 18281 14495 1 18 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.404 1.636 18281 14496 1 18 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.628 1.342 18281 14497 1 18 . 1 1 88 88 GLU H H 88 7.650 7.650 7.495 0.155 18281 14498 1 18 . 1 1 89 89 GLY N N 89 111.650 111.650 107.413 4.237 18281 14499 1 18 . 1 1 89 89 GLY C C 89 173.800 173.800 173.142 0.658 18281 14500 1 18 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.295 0.655 18281 14501 1 18 . 1 1 89 89 GLY H H 89 8.830 8.830 8.316 0.514 18281 14502 1 18 . 1 1 90 90 ASP N N 90 119.650 119.650 120.432 -0.782 18281 14503 1 18 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.270 0.090 18281 14504 1 18 . 1 1 90 90 ASP C C 90 176.570 176.570 177.149 -0.579 18281 14505 1 18 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.528 0.512 18281 14506 1 18 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.417 0.862 18281 14507 1 18 . 1 1 90 90 ASP H H 90 8.430 8.430 8.457 -0.027 18281 14508 1 18 . 1 1 91 91 ALA N N 91 118.530 118.530 120.833 -2.303 18281 14509 1 18 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.233 0.007 18281 14510 1 18 . 1 1 91 91 ALA C C 91 177.740 177.740 178.008 -0.268 18281 14511 1 18 . 1 1 91 91 ALA CA C 91 53.210 53.210 52.994 0.216 18281 14512 1 18 . 1 1 91 91 ALA CB C 91 19.310 19.310 19.032 0.278 18281 14513 1 18 . 1 1 91 91 ALA H H 91 7.810 7.810 8.138 -0.328 18281 14514 1 18 . 1 1 92 92 LEU N N 92 117.330 117.330 118.101 -0.771 18281 14515 1 18 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.204 0.256 18281 14516 1 18 . 1 1 92 92 LEU C C 92 176.210 176.210 177.709 -1.499 18281 14517 1 18 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.037 -1.017 18281 14518 1 18 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.202 -1.992 18281 14519 1 18 . 1 1 92 92 LEU H H 92 7.600 7.600 7.544 0.056 18281 14520 1 18 . 1 1 93 93 SER N N 93 115.780 115.780 113.966 1.814 18281 14521 1 18 . 1 1 93 93 SER HA H 93 4.620 4.620 3.976 0.644 18281 14522 1 18 . 1 1 93 93 SER C C 93 173.970 173.970 174.711 -0.741 18281 14523 1 18 . 1 1 93 93 SER CA C 93 57.730 57.730 59.349 -1.619 18281 14524 1 18 . 1 1 93 93 SER CB C 93 64.920 64.920 63.404 1.516 18281 14525 1 18 . 1 1 93 93 SER H H 93 7.910 7.910 8.018 -0.108 18281 14526 1 18 . 1 1 94 94 GLU N N 94 119.400 119.400 118.490 0.910 18281 14527 1 18 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.215 -0.055 18281 14528 1 18 . 1 1 94 94 GLU C C 94 176.570 176.570 176.064 0.506 18281 14529 1 18 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.896 0.804 18281 14530 1 18 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.639 -0.429 18281 14531 1 18 . 1 1 94 94 GLU H H 94 8.850 8.850 8.637 0.213 18281 14532 1 18 . 1 1 95 95 ASN N N 95 113.460 113.460 116.282 -2.822 18281 14533 1 18 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.670 0.130 18281 14534 1 18 . 1 1 95 95 ASN C C 95 174.070 174.070 175.254 -1.184 18281 14535 1 18 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.950 -0.830 18281 14536 1 18 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.370 -0.020 18281 14537 1 18 . 1 1 95 95 ASN H H 95 8.290 8.290 7.467 0.823 18281 14538 1 18 . 1 1 96 96 ILE N N 96 120.610 120.610 120.088 0.522 18281 14539 1 18 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.170 0.020 18281 14540 1 18 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.985 -1.055 18281 14541 1 18 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.472 0.397 18281 14542 1 18 . 1 1 96 96 ILE H H 96 7.770 7.770 8.312 -0.542 18281 14543 1 18 . 1 1 97 97 GLU N N 97 126.670 126.670 127.592 -0.922 18281 14544 1 18 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.519 0.271 18281 14545 1 18 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.304 0.896 18281 14546 1 18 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.114 1.836 18281 14547 1 18 . 1 1 97 97 GLU H H 97 8.460 8.460 8.309 0.151 18281 14548 1 18 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.549 0.161 18281 14549 1 18 . 1 1 98 98 LYS C C 98 173.650 173.650 176.310 -2.660 18281 14550 1 18 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.543 -1.573 18281 14551 1 18 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.045 1.754 18281 14552 1 18 . 1 1 99 99 ILE N N 99 120.290 120.290 121.054 -0.764 18281 14553 1 18 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.690 0.100 18281 14554 1 18 . 1 1 99 99 ILE C C 99 174.690 174.690 174.741 -0.051 18281 14555 1 18 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.807 0.493 18281 14556 1 18 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.102 0.448 18281 14557 1 18 . 1 1 99 99 ILE H H 99 7.720 7.720 8.440 -0.720 18281 14558 1 18 . 1 1 100 100 ASP N N 100 126.970 126.970 126.939 0.031 18281 14559 1 18 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.881 0.219 18281 14560 1 18 . 1 1 100 100 ASP C C 100 174.490 174.490 174.638 -0.148 18281 14561 1 18 . 1 1 100 100 ASP CA C 100 52.630 52.630 53.188 -0.558 18281 14562 1 18 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.486 1.364 18281 14563 1 18 . 1 1 100 100 ASP H H 100 9.220 9.220 8.849 0.371 18281 14564 1 18 . 1 1 101 101 TYR N N 101 120.640 120.640 123.003 -2.363 18281 14565 1 18 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.848 0.432 18281 14566 1 18 . 1 1 101 101 TYR C C 101 175.740 175.740 175.186 0.554 18281 14567 1 18 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.742 0.238 18281 14568 1 18 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.378 0.262 18281 14569 1 18 . 1 1 101 101 TYR H H 101 9.140 9.140 9.068 0.072 18281 14570 1 18 . 1 1 102 102 GLU N N 102 122.040 122.040 121.997 0.043 18281 14571 1 18 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.861 0.269 18281 14572 1 18 . 1 1 102 102 GLU C C 102 175.360 175.360 175.496 -0.136 18281 14573 1 18 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.308 0.562 18281 14574 1 18 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.958 -0.888 18281 14575 1 18 . 1 1 102 102 GLU H H 102 8.670 8.670 9.434 -0.764 18281 14576 1 18 . 1 1 103 103 THR N N 103 125.840 125.840 119.863 5.977 18281 14577 1 18 . 1 1 103 103 THR HA H 103 5.580 5.580 5.133 0.447 18281 14578 1 18 . 1 1 103 103 THR C C 103 172.780 172.780 173.090 -0.310 18281 14579 1 18 . 1 1 103 103 THR CA C 103 62.150 62.150 61.565 0.585 18281 14580 1 18 . 1 1 103 103 THR CB C 103 71.750 71.750 71.713 0.037 18281 14581 1 18 . 1 1 103 103 THR H H 103 9.550 9.550 9.190 0.360 18281 14582 1 18 . 1 1 104 104 LYS N N 104 126.990 126.990 126.968 0.022 18281 14583 1 18 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.742 0.498 18281 14584 1 18 . 1 1 104 104 LYS C C 104 174.300 174.300 174.139 0.161 18281 14585 1 18 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.461 -0.131 18281 14586 1 18 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.106 -0.166 18281 14587 1 18 . 1 1 104 104 LYS H H 104 9.430 9.430 8.549 0.881 18281 14588 1 18 . 1 1 105 105 LEU N N 105 124.700 124.700 127.939 -3.239 18281 14589 1 18 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.458 0.752 18281 14590 1 18 . 1 1 105 105 LEU C C 105 175.780 175.780 175.750 0.030 18281 14591 1 18 . 1 1 105 105 LEU CA C 105 54.620 54.620 54.325 0.295 18281 14592 1 18 . 1 1 105 105 LEU CB C 105 41.950 41.950 42.785 -0.835 18281 14593 1 18 . 1 1 105 105 LEU H H 105 8.410 8.410 8.213 0.197 18281 14594 1 18 . 1 1 106 106 VAL N N 106 123.290 123.290 123.073 0.217 18281 14595 1 18 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.422 0.008 18281 14596 1 18 . 1 1 106 106 VAL C C 106 175.560 175.560 174.642 0.918 18281 14597 1 18 . 1 1 106 106 VAL CA C 106 60.470 60.470 59.979 0.491 18281 14598 1 18 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.815 -0.795 18281 14599 1 18 . 1 1 106 106 VAL H H 106 9.180 9.180 9.067 0.113 18281 14600 1 18 . 1 1 107 107 SER N N 107 121.800 121.800 119.783 2.017 18281 14601 1 18 . 1 1 107 107 SER HA H 107 4.660 4.660 4.703 -0.043 18281 14602 1 18 . 1 1 107 107 SER C C 107 173.600 173.600 173.484 0.116 18281 14603 1 18 . 1 1 107 107 SER CA C 107 59.860 59.860 56.767 3.093 18281 14604 1 18 . 1 1 107 107 SER CB C 107 63.250 63.250 64.994 -1.744 18281 14605 1 18 . 1 1 107 107 SER H H 107 8.910 8.910 8.298 0.612 18281 14606 1 18 . 1 1 108 108 ALA N N 108 129.210 129.210 125.883 3.327 18281 14607 1 18 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.873 -0.243 18281 14608 1 18 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.682 0.938 18281 14609 1 18 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.696 0.104 18281 14610 1 18 . 1 1 108 108 ALA H H 108 8.310 8.310 8.460 -0.150 18281 14611 1 18 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.284 0.136 18281 14612 1 18 . 1 1 109 109 PRO CA C 109 63.700 63.700 65.144 -1.444 18281 14613 1 18 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.672 0.527 18281 14614 1 18 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.472 0.298 18281 14615 1 18 . 1 1 110 110 HIS C C 110 175.760 175.760 175.928 -0.168 18281 14616 1 18 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.392 -1.002 18281 14617 1 18 . 1 1 110 110 HIS CB C 110 29.410 29.410 30.158 -0.748 18281 14618 1 18 . 1 1 111 111 GLY N N 111 108.720 108.720 106.472 2.248 18281 14619 1 18 . 1 1 111 111 GLY C C 111 174.390 174.390 173.950 0.440 18281 14620 1 18 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.118 0.012 18281 14621 1 18 . 1 1 111 111 GLY H H 111 7.730 7.730 7.862 -0.132 18281 14622 1 18 . 1 1 112 112 GLY N N 112 107.670 107.670 108.340 -0.670 18281 14623 1 18 . 1 1 112 112 GLY C C 112 174.150 174.150 173.210 0.940 18281 14624 1 18 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.528 -0.108 18281 14625 1 18 . 1 1 112 112 GLY H H 112 7.600 7.600 7.958 -0.358 18281 14626 1 18 . 1 1 113 113 THR N N 113 119.830 119.830 116.187 3.643 18281 14627 1 18 . 1 1 113 113 THR HA H 113 5.060 5.060 4.875 0.185 18281 14628 1 18 . 1 1 113 113 THR C C 113 173.250 173.250 173.576 -0.326 18281 14629 1 18 . 1 1 113 113 THR CA C 113 62.990 62.990 61.729 1.261 18281 14630 1 18 . 1 1 113 113 THR CB C 113 72.270 72.270 70.506 1.764 18281 14631 1 18 . 1 1 113 113 THR H H 113 9.070 9.070 8.087 0.983 18281 14632 1 18 . 1 1 114 114 ILE N N 114 127.600 127.600 127.348 0.252 18281 14633 1 18 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.096 0.414 18281 14634 1 18 . 1 1 114 114 ILE C C 114 174.370 174.370 174.402 -0.032 18281 14635 1 18 . 1 1 114 114 ILE CA C 114 61.160 61.160 61.431 -0.271 18281 14636 1 18 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.126 0.844 18281 14637 1 18 . 1 1 114 114 ILE H H 114 9.490 9.490 8.832 0.658 18281 14638 1 18 . 1 1 115 115 ILE N N 115 129.200 129.200 125.388 3.812 18281 14639 1 18 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.799 -0.299 18281 14640 1 18 . 1 1 115 115 ILE C C 115 175.000 175.000 174.963 0.037 18281 14641 1 18 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.019 1.381 18281 14642 1 18 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.334 -2.334 18281 14643 1 18 . 1 1 115 115 ILE H H 115 9.220 9.220 9.006 0.214 18281 14644 1 18 . 1 1 116 116 LYS N N 116 127.550 127.550 128.763 -1.213 18281 14645 1 18 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.131 0.039 18281 14646 1 18 . 1 1 116 116 LYS C C 116 176.300 176.300 175.725 0.575 18281 14647 1 18 . 1 1 116 116 LYS CA C 116 55.370 55.370 55.355 0.015 18281 14648 1 18 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.452 0.128 18281 14649 1 18 . 1 1 116 116 LYS H H 116 9.130 9.130 8.318 0.812 18281 14650 1 18 . 1 1 117 117 THR N N 117 120.940 120.940 122.840 -1.900 18281 14651 1 18 . 1 1 117 117 THR HA H 117 5.730 5.730 5.272 0.458 18281 14652 1 18 . 1 1 117 117 THR C C 117 174.620 174.620 173.675 0.945 18281 14653 1 18 . 1 1 117 117 THR CA C 117 60.990 60.990 61.631 -0.641 18281 14654 1 18 . 1 1 117 117 THR CB C 117 71.750 71.750 71.217 0.533 18281 14655 1 18 . 1 1 117 117 THR H H 117 9.020 9.020 9.190 -0.170 18281 14656 1 18 . 1 1 118 118 THR N N 118 125.750 125.750 124.709 1.041 18281 14657 1 18 . 1 1 118 118 THR HA H 118 5.170 5.170 5.675 -0.505 18281 14658 1 18 . 1 1 118 118 THR C C 118 173.760 173.760 173.438 0.322 18281 14659 1 18 . 1 1 118 118 THR CA C 118 61.800 61.800 60.728 1.072 18281 14660 1 18 . 1 1 118 118 THR CB C 118 70.720 70.720 70.946 -0.226 18281 14661 1 18 . 1 1 118 118 THR H H 118 9.500 9.500 8.752 0.748 18281 14662 1 18 . 1 1 119 119 SER N N 119 122.250 122.250 119.426 2.824 18281 14663 1 18 . 1 1 119 119 SER HA H 119 5.270 5.270 5.580 -0.310 18281 14664 1 18 . 1 1 119 119 SER C C 119 172.960 172.960 172.530 0.430 18281 14665 1 18 . 1 1 119 119 SER CA C 119 55.860 55.860 56.581 -0.721 18281 14666 1 18 . 1 1 119 119 SER CB C 119 66.720 66.720 66.919 -0.199 18281 14667 1 18 . 1 1 119 119 SER H H 119 9.410 9.410 8.918 0.492 18281 14668 1 18 . 1 1 120 120 LYS N N 120 124.120 124.120 121.787 2.333 18281 14669 1 18 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.677 0.563 18281 14670 1 18 . 1 1 120 120 LYS C C 120 174.780 174.780 173.963 0.817 18281 14671 1 18 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.617 -0.787 18281 14672 1 18 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.399 -0.239 18281 14673 1 18 . 1 1 120 120 LYS H H 120 9.150 9.150 8.593 0.557 18281 14674 1 18 . 1 1 121 121 TYR N N 121 126.500 126.500 121.565 4.935 18281 14675 1 18 . 1 1 121 121 TYR CA C 121 58.000 58.000 55.320 2.680 18281 14676 1 18 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.770 -0.570 18281 14677 1 18 . 1 1 121 121 TYR H H 121 9.800 9.800 8.436 1.364 18281 14678 1 18 . 1 1 122 122 HIS C C 122 174.670 174.670 175.448 -0.778 18281 14679 1 18 . 1 1 123 123 THR N N 123 125.750 125.750 109.344 16.406 18281 14680 1 18 . 1 1 123 123 THR HA H 123 5.400 5.400 4.796 0.604 18281 14681 1 18 . 1 1 123 123 THR C C 123 174.460 174.460 174.632 -0.172 18281 14682 1 18 . 1 1 123 123 THR CA C 123 60.230 60.230 60.421 -0.191 18281 14683 1 18 . 1 1 123 123 THR CB C 123 71.260 71.260 72.221 -0.961 18281 14684 1 18 . 1 1 123 123 THR H H 123 8.920 8.920 8.228 0.692 18281 14685 1 18 . 1 1 124 124 LYS N N 124 121.170 121.170 124.776 -3.606 18281 14686 1 18 . 1 1 124 124 LYS HA H 124 4.760 4.760 3.945 0.815 18281 14687 1 18 . 1 1 124 124 LYS C C 124 176.450 176.450 176.970 -0.520 18281 14688 1 18 . 1 1 124 124 LYS CA C 124 55.510 55.510 59.400 -3.890 18281 14689 1 18 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.618 1.282 18281 14690 1 18 . 1 1 124 124 LYS H H 124 8.590 8.590 8.600 -0.010 18281 14691 1 18 . 1 1 125 125 GLY N N 125 110.070 110.070 104.422 5.648 18281 14692 1 18 . 1 1 125 125 GLY C C 125 173.620 173.620 173.410 0.210 18281 14693 1 18 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.062 0.208 18281 14694 1 18 . 1 1 125 125 GLY H H 125 8.390 8.390 8.274 0.116 18281 14695 1 18 . 1 1 126 126 ASP N N 126 120.070 120.070 118.889 1.181 18281 14696 1 18 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.702 -0.032 18281 14697 1 18 . 1 1 126 126 ASP C C 126 175.580 175.580 175.487 0.093 18281 14698 1 18 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.628 0.662 18281 14699 1 18 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.812 -0.452 18281 14700 1 18 . 1 1 126 126 ASP H H 126 8.440 8.440 8.112 0.328 18281 14701 1 18 . 1 1 127 127 VAL N N 127 119.620 119.620 120.304 -0.684 18281 14702 1 18 . 1 1 127 127 VAL HA H 127 4.240 4.240 4.069 0.171 18281 14703 1 18 . 1 1 127 127 VAL C C 127 174.610 174.610 175.398 -0.788 18281 14704 1 18 . 1 1 127 127 VAL CA C 127 61.230 61.230 62.633 -1.403 18281 14705 1 18 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.654 1.597 18281 14706 1 18 . 1 1 127 127 VAL H H 127 7.620 7.620 7.548 0.072 18281 14707 1 18 . 1 1 128 128 GLU N N 128 125.030 125.030 126.690 -1.660 18281 14708 1 18 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.605 -0.475 18281 14709 1 18 . 1 1 128 128 GLU C C 128 175.680 175.680 175.282 0.398 18281 14710 1 18 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.325 0.215 18281 14711 1 18 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.627 -0.837 18281 14712 1 18 . 1 1 128 128 GLU H H 128 8.330 8.330 8.521 -0.191 18281 14713 1 18 . 1 1 129 129 ILE N N 129 124.070 124.070 122.405 1.665 18281 14714 1 18 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.367 -0.407 18281 14715 1 18 . 1 1 129 129 ILE C C 129 175.960 175.960 174.423 1.537 18281 14716 1 18 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.679 -0.329 18281 14717 1 18 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.225 -3.545 18281 14718 1 18 . 1 1 129 129 ILE H H 129 7.380 7.380 8.537 -1.157 18281 14719 1 18 . 1 1 130 130 LYS N N 130 127.800 127.800 123.662 4.138 18281 14720 1 18 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.581 -0.301 18281 14721 1 18 . 1 1 130 130 LYS C C 130 177.660 177.660 176.977 0.683 18281 14722 1 18 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.929 -0.079 18281 14723 1 18 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.004 -0.194 18281 14724 1 18 . 1 1 130 130 LYS H H 130 8.790 8.790 8.599 0.191 18281 14725 1 18 . 1 1 131 131 GLU N N 131 125.060 125.060 125.807 -0.747 18281 14726 1 18 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.816 -0.006 18281 14727 1 18 . 1 1 131 131 GLU C C 131 178.630 178.630 178.195 0.435 18281 14728 1 18 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.305 -0.795 18281 14729 1 18 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.364 -0.064 18281 14730 1 18 . 1 1 131 131 GLU H H 131 8.880 8.880 9.190 -0.310 18281 14731 1 18 . 1 1 132 132 GLU N N 132 117.220 117.220 118.077 -0.857 18281 14732 1 18 . 1 1 132 132 GLU HA H 132 3.980 3.980 4.026 -0.046 18281 14733 1 18 . 1 1 132 132 GLU C C 132 178.630 178.630 178.835 -0.205 18281 14734 1 18 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.025 0.585 18281 14735 1 18 . 1 1 132 132 GLU CB C 132 28.980 28.980 28.677 0.303 18281 14736 1 18 . 1 1 132 132 GLU H H 132 9.200 9.200 8.917 0.283 18281 14737 1 18 . 1 1 133 133 HIS N N 133 119.810 119.810 119.433 0.377 18281 14738 1 18 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.328 0.142 18281 14739 1 18 . 1 1 133 133 HIS C C 133 178.430 178.430 177.724 0.706 18281 14740 1 18 . 1 1 133 133 HIS CA C 133 59.130 59.130 59.468 -0.338 18281 14741 1 18 . 1 1 133 133 HIS CB C 133 31.320 31.320 30.230 1.091 18281 14742 1 18 . 1 1 133 133 HIS H H 133 7.500 7.500 7.941 -0.441 18281 14743 1 18 . 1 1 134 134 VAL N N 134 120.370 120.370 119.922 0.448 18281 14744 1 18 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.473 0.177 18281 14745 1 18 . 1 1 134 134 VAL C C 134 179.170 179.170 177.329 1.841 18281 14746 1 18 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.742 -1.562 18281 14747 1 18 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.656 0.054 18281 14748 1 18 . 1 1 134 134 VAL H H 134 7.290 7.290 7.697 -0.407 18281 14749 1 18 . 1 1 135 135 LYS N N 135 121.310 121.310 119.839 1.471 18281 14750 1 18 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.785 0.175 18281 14751 1 18 . 1 1 135 135 LYS C C 135 178.310 178.310 178.287 0.023 18281 14752 1 18 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.578 -0.248 18281 14753 1 18 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.333 -0.153 18281 14754 1 18 . 1 1 135 135 LYS H H 135 8.310 8.310 8.270 0.040 18281 14755 1 18 . 1 1 136 136 ALA N N 136 121.150 121.150 119.970 1.180 18281 14756 1 18 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.032 0.198 18281 14757 1 18 . 1 1 136 136 ALA C C 136 180.930 180.930 179.556 1.374 18281 14758 1 18 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.048 -0.028 18281 14759 1 18 . 1 1 136 136 ALA CB C 136 17.750 17.750 17.721 0.029 18281 14760 1 18 . 1 1 136 136 ALA H H 136 7.950 7.950 7.513 0.437 18281 14761 1 18 . 1 1 137 137 GLY N N 137 105.640 105.640 106.567 -0.927 18281 14762 1 18 . 1 1 137 137 GLY C C 137 177.000 177.000 176.333 0.667 18281 14763 1 18 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.949 0.211 18281 14764 1 18 . 1 1 137 137 GLY H H 137 7.930 7.930 7.558 0.372 18281 14765 1 18 . 1 1 138 138 LYS N N 138 124.210 124.210 121.528 2.682 18281 14766 1 18 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.925 0.305 18281 14767 1 18 . 1 1 138 138 LYS C C 138 178.860 178.860 179.052 -0.192 18281 14768 1 18 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.102 -0.312 18281 14769 1 18 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.329 0.341 18281 14770 1 18 . 1 1 138 138 LYS H H 138 7.960 7.960 7.515 0.445 18281 14771 1 18 . 1 1 139 139 GLU N N 139 119.720 119.720 119.065 0.655 18281 14772 1 18 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.015 0.125 18281 14773 1 18 . 1 1 139 139 GLU C C 139 179.710 179.710 178.671 1.039 18281 14774 1 18 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.341 -0.161 18281 14775 1 18 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.312 -0.012 18281 14776 1 18 . 1 1 139 139 GLU H H 139 8.370 8.370 7.787 0.583 18281 14777 1 18 . 1 1 140 140 LYS N N 140 120.270 120.270 120.195 0.075 18281 14778 1 18 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.908 0.202 18281 14779 1 18 . 1 1 140 140 LYS C C 140 179.210 179.210 178.603 0.607 18281 14780 1 18 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.696 -0.086 18281 14781 1 18 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.342 0.038 18281 14782 1 18 . 1 1 140 140 LYS H H 140 8.140 8.140 7.584 0.556 18281 14783 1 18 . 1 1 141 141 ALA N N 141 121.910 121.910 120.617 1.293 18281 14784 1 18 . 1 1 141 141 ALA HA H 141 4.040 4.040 3.890 0.150 18281 14785 1 18 . 1 1 141 141 ALA C C 141 179.530 179.530 179.351 0.179 18281 14786 1 18 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.703 0.318 18281 14787 1 18 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.096 0.284 18281 14788 1 18 . 1 1 141 141 ALA H H 141 7.730 7.730 7.677 0.053 18281 14789 1 18 . 1 1 142 142 ALA N N 142 120.440 120.440 120.732 -0.292 18281 14790 1 18 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.068 -0.188 18281 14791 1 18 . 1 1 142 142 ALA C C 142 180.080 180.080 178.587 1.493 18281 14792 1 18 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.801 0.099 18281 14793 1 18 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.267 -0.037 18281 14794 1 18 . 1 1 142 142 ALA H H 142 8.280 8.280 7.784 0.496 18281 14795 1 18 . 1 1 143 143 HIS N N 143 118.280 118.280 118.856 -0.576 18281 14796 1 18 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.333 0.017 18281 14797 1 18 . 1 1 143 143 HIS C C 143 177.350 177.350 177.440 -0.090 18281 14798 1 18 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.434 -0.004 18281 14799 1 18 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.951 0.799 18281 14800 1 18 . 1 1 143 143 HIS H H 143 8.030 8.030 7.774 0.256 18281 14801 1 18 . 1 1 144 144 LEU N N 144 118.820 118.820 119.824 -1.004 18281 14802 1 18 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.737 0.173 18281 14803 1 18 . 1 1 144 144 LEU C C 144 179.040 179.040 178.814 0.226 18281 14804 1 18 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.705 0.376 18281 14805 1 18 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.425 -0.465 18281 14806 1 18 . 1 1 144 144 LEU H H 144 7.700 7.700 7.607 0.093 18281 14807 1 18 . 1 1 145 145 PHE N N 145 116.920 116.920 117.937 -1.017 18281 14808 1 18 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.126 -0.126 18281 14809 1 18 . 1 1 145 145 PHE C C 145 177.900 177.900 177.936 -0.036 18281 14810 1 18 . 1 1 145 145 PHE CA C 145 62.150 62.150 61.443 0.708 18281 14811 1 18 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.708 0.042 18281 14812 1 18 . 1 1 145 145 PHE H H 145 8.100 8.100 7.626 0.474 18281 14813 1 18 . 1 1 146 146 LYS N N 146 119.710 119.710 119.163 0.547 18281 14814 1 18 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.374 -0.244 18281 14815 1 18 . 1 1 146 146 LYS C C 146 177.750 177.750 179.079 -1.329 18281 14816 1 18 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.223 -0.323 18281 14817 1 18 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.254 0.026 18281 14818 1 18 . 1 1 146 146 LYS H H 146 8.040 8.040 7.508 0.532 18281 14819 1 18 . 1 1 147 147 LEU N N 147 118.970 118.970 119.760 -0.790 18281 14820 1 18 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.948 0.052 18281 14821 1 18 . 1 1 147 147 LEU C C 147 180.460 180.460 178.802 1.658 18281 14822 1 18 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.572 -0.102 18281 14823 1 18 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.418 0.982 18281 14824 1 18 . 1 1 147 147 LEU H H 147 7.960 7.960 7.321 0.639 18281 14825 1 18 . 1 1 148 148 ILE N N 148 121.410 121.410 120.195 1.215 18281 14826 1 18 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.691 -0.151 18281 14827 1 18 . 1 1 148 148 ILE C C 148 177.030 177.030 178.588 -1.558 18281 14828 1 18 . 1 1 148 148 ILE CA C 148 65.400 65.400 64.052 1.348 18281 14829 1 18 . 1 1 148 148 ILE CB C 148 37.690 37.690 36.451 1.239 18281 14830 1 18 . 1 1 148 148 ILE H H 148 8.200 8.200 7.888 0.312 18281 14831 1 18 . 1 1 149 149 GLU N N 149 120.450 120.450 119.255 1.195 18281 14832 1 18 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.101 -0.421 18281 14833 1 18 . 1 1 149 149 GLU C C 149 178.540 178.540 179.665 -1.125 18281 14834 1 18 . 1 1 149 149 GLU CA C 149 60.320 60.320 60.199 0.121 18281 14835 1 18 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.090 -0.260 18281 14836 1 18 . 1 1 149 149 GLU H H 149 8.680 8.680 8.029 0.651 18281 14837 1 18 . 1 1 150 150 GLY N N 150 104.450 104.450 107.415 -2.965 18281 14838 1 18 . 1 1 150 150 GLY C C 150 175.670 175.670 175.792 -0.122 18281 14839 1 18 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.471 0.779 18281 14840 1 18 . 1 1 150 150 GLY H H 150 8.180 8.180 7.972 0.208 18281 14841 1 18 . 1 1 151 151 TYR N N 151 122.120 122.120 124.385 -2.265 18281 14842 1 18 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.191 0.189 18281 14843 1 18 . 1 1 151 151 TYR C C 151 179.360 179.360 177.465 1.895 18281 14844 1 18 . 1 1 151 151 TYR CA C 151 62.320 62.320 62.079 0.241 18281 14845 1 18 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.796 -2.406 18281 14846 1 18 . 1 1 151 151 TYR H H 151 7.910 7.910 8.461 -0.551 18281 14847 1 18 . 1 1 152 152 LEU N N 152 120.020 120.020 119.127 0.893 18281 14848 1 18 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.252 -0.222 18281 14849 1 18 . 1 1 152 152 LEU C C 152 180.320 180.320 178.488 1.832 18281 14850 1 18 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.657 0.103 18281 14851 1 18 . 1 1 152 152 LEU CB C 152 41.000 41.000 42.085 -1.085 18281 14852 1 18 . 1 1 152 152 LEU H H 152 8.630 8.630 7.905 0.725 18281 14853 1 18 . 1 1 153 153 LYS N N 153 119.730 119.730 118.810 0.920 18281 14854 1 18 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.983 -0.013 18281 14855 1 18 . 1 1 153 153 LYS C C 153 178.150 178.150 178.116 0.034 18281 14856 1 18 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.012 0.388 18281 14857 1 18 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.418 -0.068 18281 14858 1 18 . 1 1 153 153 LYS H H 153 8.260 8.260 7.649 0.611 18281 14859 1 18 . 1 1 154 154 ASP N N 154 117.020 117.020 115.902 1.118 18281 14860 1 18 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.586 -0.586 18281 14861 1 18 . 1 1 154 154 ASP C C 154 175.660 175.660 176.619 -0.959 18281 14862 1 18 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.854 -0.824 18281 14863 1 18 . 1 1 154 154 ASP H H 154 7.560 7.560 7.859 -0.299 18281 14864 1 18 . 1 1 155 155 HIS N N 155 117.160 117.160 118.407 -1.247 18281 14865 1 18 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.901 -0.001 18281 14866 1 18 . 1 1 155 155 HIS CA C 155 54.150 54.150 53.556 0.594 18281 14867 1 18 . 1 1 155 155 HIS CB C 155 27.990 27.990 31.094 -3.104 18281 14868 1 18 . 1 1 155 155 HIS H H 155 7.430 7.430 7.634 -0.204 18281 14869 1 19 . 1 1 3 3 VAL N N 3 119.910 119.910 122.974 -3.064 18281 14870 1 19 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.179 0.741 18281 14871 1 19 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.545 -0.525 18281 14872 1 19 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.828 0.302 18281 14873 1 19 . 1 1 3 3 VAL H H 3 7.630 7.630 7.931 -0.301 18281 14874 1 19 . 1 1 4 4 TYR N N 4 119.930 119.930 125.184 -5.254 18281 14875 1 19 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.623 0.047 18281 14876 1 19 . 1 1 4 4 TYR C C 4 174.670 174.670 175.025 -0.355 18281 14877 1 19 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.789 0.681 18281 14878 1 19 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.474 0.796 18281 14879 1 19 . 1 1 4 4 TYR H H 4 8.660 8.660 8.523 0.137 18281 14880 1 19 . 1 1 5 5 THR N N 5 119.930 119.930 118.804 1.126 18281 14881 1 19 . 1 1 5 5 THR HA H 5 5.290 5.290 4.700 0.590 18281 14882 1 19 . 1 1 5 5 THR C C 5 173.180 173.180 173.499 -0.319 18281 14883 1 19 . 1 1 5 5 THR CA C 5 61.780 61.780 61.848 -0.068 18281 14884 1 19 . 1 1 5 5 THR CB C 5 70.360 70.360 69.684 0.675 18281 14885 1 19 . 1 1 5 5 THR H H 5 8.230 8.230 8.338 -0.108 18281 14886 1 19 . 1 1 6 6 TYR N N 6 125.060 125.060 125.737 -0.677 18281 14887 1 19 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.784 0.506 18281 14888 1 19 . 1 1 6 6 TYR C C 6 174.380 174.380 174.386 -0.006 18281 14889 1 19 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.924 0.186 18281 14890 1 19 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.604 0.246 18281 14891 1 19 . 1 1 6 6 TYR H H 6 9.210 9.210 8.508 0.702 18281 14892 1 19 . 1 1 7 7 GLU N N 7 122.360 122.360 123.944 -1.584 18281 14893 1 19 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.960 0.400 18281 14894 1 19 . 1 1 7 7 GLU C C 7 175.390 175.390 175.053 0.337 18281 14895 1 19 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.882 0.098 18281 14896 1 19 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.336 0.714 18281 14897 1 19 . 1 1 7 7 GLU H H 7 8.830 8.830 8.738 0.092 18281 14898 1 19 . 1 1 8 8 ASN N N 8 119.960 119.960 123.662 -3.702 18281 14899 1 19 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.048 0.052 18281 14900 1 19 . 1 1 8 8 ASN CA C 8 52.620 52.620 51.717 0.903 18281 14901 1 19 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.561 1.649 18281 14902 1 19 . 1 1 8 8 ASN H H 8 8.800 8.800 9.237 -0.437 18281 14903 1 19 . 1 1 9 9 GLU N N 9 121.420 121.420 122.075 -0.655 18281 14904 1 19 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.860 0.740 18281 14905 1 19 . 1 1 9 9 GLU C C 9 174.590 174.590 174.982 -0.392 18281 14906 1 19 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.452 -0.681 18281 14907 1 19 . 1 1 9 9 GLU CB C 9 33.750 33.750 32.852 0.898 18281 14908 1 19 . 1 1 9 9 GLU H H 9 8.330 8.330 8.589 -0.259 18281 14909 1 19 . 1 1 10 10 PHE N N 10 121.240 121.240 125.298 -4.058 18281 14910 1 19 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.757 0.263 18281 14911 1 19 . 1 1 10 10 PHE C C 10 173.880 173.880 173.318 0.562 18281 14912 1 19 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.508 -1.958 18281 14913 1 19 . 1 1 10 10 PHE CB C 10 41.470 41.470 42.707 -1.237 18281 14914 1 19 . 1 1 10 10 PHE H H 10 8.760 8.760 8.304 0.456 18281 14915 1 19 . 1 1 11 11 THR N N 11 113.110 113.110 116.698 -3.588 18281 14916 1 19 . 1 1 11 11 THR HA H 11 5.170 5.170 5.230 -0.060 18281 14917 1 19 . 1 1 11 11 THR C C 11 173.530 173.530 173.620 -0.090 18281 14918 1 19 . 1 1 11 11 THR CA C 11 60.940 60.940 59.662 1.278 18281 14919 1 19 . 1 1 11 11 THR CB C 11 71.260 71.260 70.858 0.403 18281 14920 1 19 . 1 1 11 11 THR H H 11 8.470 8.470 7.602 0.868 18281 14921 1 19 . 1 1 12 12 SER N N 12 115.490 115.490 115.441 0.049 18281 14922 1 19 . 1 1 12 12 SER C C 12 173.530 173.530 172.641 0.889 18281 14923 1 19 . 1 1 12 12 SER CA C 12 56.460 56.460 57.244 -0.784 18281 14924 1 19 . 1 1 12 12 SER CB C 12 66.320 66.320 66.304 0.016 18281 14925 1 19 . 1 1 12 12 SER H H 12 8.870 8.870 8.695 0.175 18281 14926 1 19 . 1 1 13 13 ASP N N 13 126.650 126.650 121.205 5.445 18281 14927 1 19 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.703 0.037 18281 14928 1 19 . 1 1 13 13 ASP C C 13 174.520 174.520 175.951 -1.431 18281 14929 1 19 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.449 1.581 18281 14930 1 19 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.617 -0.617 18281 14931 1 19 . 1 1 13 13 ASP H H 13 9.060 9.060 8.435 0.625 18281 14932 1 19 . 1 1 14 14 ILE N N 14 123.580 123.580 116.725 6.855 18281 14933 1 19 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.933 0.417 18281 14934 1 19 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.325 -3.935 18281 14935 1 19 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.437 -0.097 18281 14936 1 19 . 1 1 14 14 ILE H H 14 8.470 8.470 8.202 0.268 18281 14937 1 19 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.519 -0.079 18281 14938 1 19 . 1 1 15 15 PRO C C 15 177.130 177.130 177.691 -0.561 18281 14939 1 19 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.296 0.774 18281 14940 1 19 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.758 0.692 18281 14941 1 19 . 1 1 16 16 ALA N N 16 126.780 126.780 126.248 0.532 18281 14942 1 19 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.979 0.021 18281 14943 1 19 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.085 0.015 18281 14944 1 19 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.113 0.187 18281 14945 1 19 . 1 1 16 16 ALA H H 16 8.570 8.570 8.521 0.049 18281 14946 1 19 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.338 -0.438 18281 14947 1 19 . 1 1 17 17 PRO C C 17 179.610 179.610 179.229 0.381 18281 14948 1 19 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.295 0.715 18281 14949 1 19 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.156 -0.256 18281 14950 1 19 . 1 1 18 18 LYS N N 18 116.630 116.630 118.848 -2.218 18281 14951 1 19 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.163 -0.023 18281 14952 1 19 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.551 -0.281 18281 14953 1 19 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.867 0.453 18281 14954 1 19 . 1 1 18 18 LYS H H 18 6.710 6.710 8.031 -1.321 18281 14955 1 19 . 1 1 19 19 LEU N N 19 118.930 118.930 120.297 -1.367 18281 14956 1 19 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.243 -0.403 18281 14957 1 19 . 1 1 19 19 LEU C C 19 178.380 178.380 178.171 0.209 18281 14958 1 19 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.855 0.575 18281 14959 1 19 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.995 0.095 18281 14960 1 19 . 1 1 19 19 LEU H H 19 7.950 7.950 8.267 -0.317 18281 14961 1 19 . 1 1 20 20 PHE N N 20 118.660 118.660 120.614 -1.954 18281 14962 1 19 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.153 -0.303 18281 14963 1 19 . 1 1 20 20 PHE C C 20 177.680 177.680 177.094 0.586 18281 14964 1 19 . 1 1 20 20 PHE CA C 20 62.880 62.880 61.961 0.919 18281 14965 1 19 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.218 0.202 18281 14966 1 19 . 1 1 20 20 PHE H H 20 9.040 9.040 8.594 0.446 18281 14967 1 19 . 1 1 21 21 LYS N N 21 118.430 118.430 118.849 -0.419 18281 14968 1 19 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.991 -0.221 18281 14969 1 19 . 1 1 21 21 LYS C C 21 176.400 176.400 178.688 -2.288 18281 14970 1 19 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.963 0.197 18281 14971 1 19 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.361 0.639 18281 14972 1 19 . 1 1 21 21 LYS H H 21 7.630 7.630 8.227 -0.597 18281 14973 1 19 . 1 1 22 22 ALA N N 22 118.710 118.710 120.215 -1.505 18281 14974 1 19 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.330 0.440 18281 14975 1 19 . 1 1 22 22 ALA C C 22 175.450 175.450 178.050 -2.600 18281 14976 1 19 . 1 1 22 22 ALA CA C 22 55.540 55.540 53.931 1.609 18281 14977 1 19 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.709 1.492 18281 14978 1 19 . 1 1 22 22 ALA H H 22 7.390 7.390 7.566 -0.176 18281 14979 1 19 . 1 1 23 23 PHE N N 23 109.720 109.720 116.567 -6.847 18281 14980 1 19 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.230 0.010 18281 14981 1 19 . 1 1 23 23 PHE C C 23 174.130 174.130 175.072 -0.942 18281 14982 1 19 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.075 -1.755 18281 14983 1 19 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.032 0.408 18281 14984 1 19 . 1 1 23 23 PHE H H 23 8.400 8.400 7.782 0.618 18281 14985 1 19 . 1 1 24 24 VAL N N 24 113.250 113.250 117.196 -3.946 18281 14986 1 19 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.473 -0.153 18281 14987 1 19 . 1 1 24 24 VAL C C 24 177.660 177.660 177.599 0.061 18281 14988 1 19 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.441 0.059 18281 14989 1 19 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.309 -1.429 18281 14990 1 19 . 1 1 24 24 VAL H H 24 7.220 7.220 7.389 -0.169 18281 14991 1 19 . 1 1 25 25 LEU N N 25 116.250 116.250 121.734 -5.484 18281 14992 1 19 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.046 -0.156 18281 14993 1 19 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.979 -0.069 18281 14994 1 19 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.820 -0.820 18281 14995 1 19 . 1 1 25 25 LEU H H 25 7.180 7.180 7.978 -0.798 18281 14996 1 19 . 1 1 26 26 ASP N N 26 117.160 117.160 116.745 0.415 18281 14997 1 19 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.689 0.611 18281 14998 1 19 . 1 1 26 26 ASP C C 26 177.300 177.300 176.287 1.013 18281 14999 1 19 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.474 -1.304 18281 15000 1 19 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.176 2.744 18281 15001 1 19 . 1 1 26 26 ASP H H 26 8.070 8.070 7.762 0.308 18281 15002 1 19 . 1 1 27 27 ALA N N 27 123.040 123.040 123.251 -0.211 18281 15003 1 19 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.763 -0.003 18281 15004 1 19 . 1 1 27 27 ALA C C 27 178.900 178.900 178.860 0.040 18281 15005 1 19 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.874 1.165 18281 15006 1 19 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.523 0.908 18281 15007 1 19 . 1 1 27 27 ALA H H 27 6.360 6.360 7.205 -0.845 18281 15008 1 19 . 1 1 28 28 ASP N N 28 115.060 115.060 118.018 -2.958 18281 15009 1 19 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.242 -0.262 18281 15010 1 19 . 1 1 28 28 ASP C C 28 175.850 175.850 176.814 -0.964 18281 15011 1 19 . 1 1 28 28 ASP CA C 28 55.540 55.540 57.196 -1.655 18281 15012 1 19 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.230 -0.590 18281 15013 1 19 . 1 1 28 28 ASP H H 28 8.290 8.290 8.292 -0.002 18281 15014 1 19 . 1 1 29 29 ASN N N 29 113.110 113.110 115.566 -2.456 18281 15015 1 19 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.624 0.106 18281 15016 1 19 . 1 1 29 29 ASN C C 29 176.430 176.430 176.981 -0.551 18281 15017 1 19 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.554 -0.944 18281 15018 1 19 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.004 1.256 18281 15019 1 19 . 1 1 29 29 ASN H H 29 7.360 7.360 7.953 -0.593 18281 15020 1 19 . 1 1 30 30 LEU N N 30 120.630 120.630 122.301 -1.671 18281 15021 1 19 . 1 1 30 30 LEU HA H 30 4.020 4.020 4.026 -0.006 18281 15022 1 19 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.502 0.298 18281 15023 1 19 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.886 0.894 18281 15024 1 19 . 1 1 30 30 LEU H H 30 8.320 8.320 8.440 -0.120 18281 15025 1 19 . 1 1 31 31 ILE N N 31 116.170 116.170 119.832 -3.662 18281 15026 1 19 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.570 0.080 18281 15027 1 19 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.435 -0.635 18281 15028 1 19 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.212 -1.302 18281 15029 1 19 . 1 1 31 31 ILE H H 31 8.140 8.140 8.215 -0.075 18281 15030 1 19 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.143 0.377 18281 15031 1 19 . 1 1 32 32 PRO C C 32 177.680 177.680 177.756 -0.076 18281 15032 1 19 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.721 0.799 18281 15033 1 19 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.278 0.242 18281 15034 1 19 . 1 1 33 33 LYS N N 33 112.410 112.410 117.987 -5.577 18281 15035 1 19 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.018 0.132 18281 15036 1 19 . 1 1 33 33 LYS C C 33 178.220 178.220 179.019 -0.799 18281 15037 1 19 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.599 -0.308 18281 15038 1 19 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.396 0.514 18281 15039 1 19 . 1 1 33 33 LYS H H 33 6.880 6.880 7.342 -0.462 18281 15040 1 19 . 1 1 34 34 ILE N N 34 112.260 112.260 116.758 -4.498 18281 15041 1 19 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.813 0.507 18281 15042 1 19 . 1 1 34 34 ILE C C 34 175.920 175.920 175.765 0.155 18281 15043 1 19 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.843 -2.023 18281 15044 1 19 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.396 0.954 18281 15045 1 19 . 1 1 34 34 ILE H H 34 7.560 7.560 8.034 -0.474 18281 15046 1 19 . 1 1 35 35 ALA N N 35 124.420 124.420 119.756 4.664 18281 15047 1 19 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.739 0.231 18281 15048 1 19 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.636 -0.276 18281 15049 1 19 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.052 0.207 18281 15050 1 19 . 1 1 35 35 ALA H H 35 8.820 8.820 7.100 1.720 18281 15051 1 19 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.284 0.446 18281 15052 1 19 . 1 1 36 36 PRO C C 36 177.890 177.890 177.493 0.397 18281 15053 1 19 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.407 -0.167 18281 15054 1 19 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.337 -0.657 18281 15055 1 19 . 1 1 37 37 GLN N N 37 115.580 115.580 116.046 -0.466 18281 15056 1 19 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.147 0.103 18281 15057 1 19 . 1 1 37 37 GLN C C 37 177.740 177.740 177.120 0.620 18281 15058 1 19 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.303 0.007 18281 15059 1 19 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.416 0.104 18281 15060 1 19 . 1 1 37 37 GLN H H 37 8.660 8.660 8.555 0.105 18281 15061 1 19 . 1 1 38 38 ALA N N 38 123.250 123.250 119.944 3.306 18281 15062 1 19 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.380 0.010 18281 15063 1 19 . 1 1 38 38 ALA C C 38 177.850 177.850 176.947 0.903 18281 15064 1 19 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.690 -0.190 18281 15065 1 19 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.732 0.098 18281 15066 1 19 . 1 1 38 38 ALA H H 38 8.030 8.030 7.437 0.593 18281 15067 1 19 . 1 1 39 39 VAL N N 39 117.330 117.330 109.415 7.915 18281 15068 1 19 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.031 0.099 18281 15069 1 19 . 1 1 39 39 VAL C C 39 172.750 172.750 174.665 -1.915 18281 15070 1 19 . 1 1 39 39 VAL CA C 39 62.450 62.450 59.832 2.618 18281 15071 1 19 . 1 1 39 39 VAL CB C 39 32.630 32.630 33.990 -1.360 18281 15072 1 19 . 1 1 39 39 VAL H H 39 7.660 7.660 7.038 0.622 18281 15073 1 19 . 1 1 40 40 LYS N N 40 125.270 125.270 122.590 2.680 18281 15074 1 19 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.120 0.340 18281 15075 1 19 . 1 1 40 40 LYS C C 40 177.240 177.240 176.645 0.595 18281 15076 1 19 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.839 -1.389 18281 15077 1 19 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.282 0.718 18281 15078 1 19 . 1 1 40 40 LYS H H 40 8.910 8.910 8.643 0.267 18281 15079 1 19 . 1 1 41 41 CYS N N 41 112.210 112.210 115.684 -3.474 18281 15080 1 19 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.334 0.226 18281 15081 1 19 . 1 1 41 41 CYS C C 41 170.900 170.900 172.385 -1.485 18281 15082 1 19 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.194 -2.175 18281 15083 1 19 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.645 0.155 18281 15084 1 19 . 1 1 41 41 CYS H H 41 7.680 7.680 7.748 -0.068 18281 15085 1 19 . 1 1 42 42 ALA N N 42 125.620 125.620 129.490 -3.870 18281 15086 1 19 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.404 0.816 18281 15087 1 19 . 1 1 42 42 ALA C C 42 175.690 175.690 176.477 -0.787 18281 15088 1 19 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.786 -0.806 18281 15089 1 19 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.483 2.517 18281 15090 1 19 . 1 1 42 42 ALA H H 42 8.700 8.700 8.533 0.167 18281 15091 1 19 . 1 1 43 43 GLU N N 43 120.730 120.730 123.462 -2.732 18281 15092 1 19 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.727 -0.067 18281 15093 1 19 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.716 -0.346 18281 15094 1 19 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.535 0.585 18281 15095 1 19 . 1 1 43 43 GLU H H 43 8.810 8.810 8.219 0.591 18281 15096 1 19 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.489 -0.449 18281 15097 1 19 . 1 1 44 44 ILE C C 44 176.190 176.190 176.169 0.021 18281 15098 1 19 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.625 1.365 18281 15099 1 19 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.478 -0.698 18281 15100 1 19 . 1 1 45 45 LEU N N 45 129.030 129.030 129.473 -0.443 18281 15101 1 19 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.166 0.284 18281 15102 1 19 . 1 1 45 45 LEU C C 45 177.270 177.270 176.602 0.668 18281 15103 1 19 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.766 -0.756 18281 15104 1 19 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.974 -0.493 18281 15105 1 19 . 1 1 45 45 LEU H H 45 9.090 9.090 9.005 0.085 18281 15106 1 19 . 1 1 46 46 GLU N N 46 116.640 116.640 113.514 3.126 18281 15107 1 19 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.457 0.153 18281 15108 1 19 . 1 1 46 46 GLU C C 46 174.840 174.840 175.502 -0.662 18281 15109 1 19 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.415 0.195 18281 15110 1 19 . 1 1 46 46 GLU CB C 46 33.570 33.570 32.850 0.720 18281 15111 1 19 . 1 1 46 46 GLU H H 46 7.700 7.700 7.507 0.193 18281 15112 1 19 . 1 1 47 47 GLY N N 47 110.230 110.230 110.222 0.008 18281 15113 1 19 . 1 1 47 47 GLY C C 47 173.630 173.630 173.885 -0.255 18281 15114 1 19 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.787 -1.107 18281 15115 1 19 . 1 1 47 47 GLY H H 47 8.620 8.620 8.783 -0.163 18281 15116 1 19 . 1 1 48 48 ASP N N 48 115.220 115.220 120.708 -5.488 18281 15117 1 19 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.369 0.401 18281 15118 1 19 . 1 1 48 48 ASP C C 48 177.340 177.340 175.941 1.399 18281 15119 1 19 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.816 -1.896 18281 15120 1 19 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.313 2.367 18281 15121 1 19 . 1 1 48 48 ASP H H 48 7.960 7.960 8.445 -0.485 18281 15122 1 19 . 1 1 49 49 GLY N N 49 110.900 110.900 102.001 8.899 18281 15123 1 19 . 1 1 49 49 GLY C C 49 174.750 174.750 174.195 0.555 18281 15124 1 19 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.196 0.114 18281 15125 1 19 . 1 1 49 49 GLY H H 49 8.750 8.750 8.437 0.313 18281 15126 1 19 . 1 1 50 50 GLY N N 50 107.020 107.020 108.174 -1.154 18281 15127 1 19 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.750 0.850 18281 15128 1 19 . 1 1 50 50 GLY H H 50 8.300 8.300 8.367 -0.067 18281 15129 1 19 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.120 -0.160 18281 15130 1 19 . 1 1 51 51 PRO C C 51 176.780 176.780 177.019 -0.239 18281 15131 1 19 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.388 1.612 18281 15132 1 19 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.577 0.293 18281 15133 1 19 . 1 1 52 52 GLY N N 52 114.320 114.320 115.085 -0.765 18281 15134 1 19 . 1 1 52 52 GLY C C 52 174.170 174.170 174.344 -0.174 18281 15135 1 19 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.565 -0.885 18281 15136 1 19 . 1 1 52 52 GLY H H 52 9.240 9.240 9.033 0.207 18281 15137 1 19 . 1 1 53 53 THR N N 53 118.900 118.900 116.192 2.708 18281 15138 1 19 . 1 1 53 53 THR HA H 53 4.660 4.660 4.526 0.134 18281 15139 1 19 . 1 1 53 53 THR C C 53 173.510 173.510 174.269 -0.759 18281 15140 1 19 . 1 1 53 53 THR CA C 53 64.580 64.580 63.368 1.212 18281 15141 1 19 . 1 1 53 53 THR CB C 53 70.070 70.070 69.798 0.272 18281 15142 1 19 . 1 1 53 53 THR H H 53 7.910 7.910 7.427 0.483 18281 15143 1 19 . 1 1 54 54 ILE N N 54 124.830 124.830 125.929 -1.099 18281 15144 1 19 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.658 0.652 18281 15145 1 19 . 1 1 54 54 ILE C C 54 175.260 175.260 174.681 0.579 18281 15146 1 19 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.496 -0.626 18281 15147 1 19 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.992 -0.542 18281 15148 1 19 . 1 1 54 54 ILE H H 54 8.550 8.550 8.585 -0.035 18281 15149 1 19 . 1 1 55 55 LYS N N 55 126.970 126.970 126.458 0.512 18281 15150 1 19 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.263 0.037 18281 15151 1 19 . 1 1 55 55 LYS C C 55 173.950 173.950 175.384 -1.434 18281 15152 1 19 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.350 -0.520 18281 15153 1 19 . 1 1 55 55 LYS CB C 55 36.730 36.730 35.989 0.741 18281 15154 1 19 . 1 1 55 55 LYS H H 55 9.400 9.400 9.227 0.173 18281 15155 1 19 . 1 1 56 56 LYS N N 56 124.220 124.220 124.047 0.173 18281 15156 1 19 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.646 0.634 18281 15157 1 19 . 1 1 56 56 LYS C C 56 175.230 175.230 174.403 0.827 18281 15158 1 19 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.762 -0.972 18281 15159 1 19 . 1 1 56 56 LYS CB C 56 36.060 36.060 35.890 0.170 18281 15160 1 19 . 1 1 56 56 LYS H H 56 9.360 9.360 9.043 0.317 18281 15161 1 19 . 1 1 57 57 ILE N N 57 132.380 132.380 127.843 4.537 18281 15162 1 19 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.397 0.243 18281 15163 1 19 . 1 1 57 57 ILE C C 57 174.840 174.840 174.944 -0.104 18281 15164 1 19 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.194 0.286 18281 15165 1 19 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.018 -1.748 18281 15166 1 19 . 1 1 57 57 ILE H H 57 9.240 9.240 9.145 0.095 18281 15167 1 19 . 1 1 58 58 THR N N 58 122.310 122.310 121.995 0.315 18281 15168 1 19 . 1 1 58 58 THR HA H 58 5.180 5.180 4.858 0.322 18281 15169 1 19 . 1 1 58 58 THR C C 58 174.260 174.260 173.138 1.122 18281 15170 1 19 . 1 1 58 58 THR CA C 58 61.720 61.720 61.826 -0.106 18281 15171 1 19 . 1 1 58 58 THR CB C 58 70.640 70.640 70.784 -0.144 18281 15172 1 19 . 1 1 58 58 THR H H 58 8.720 8.720 8.494 0.226 18281 15173 1 19 . 1 1 59 59 PHE N N 59 124.570 124.570 125.432 -0.862 18281 15174 1 19 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.825 0.195 18281 15175 1 19 . 1 1 59 59 PHE C C 59 174.510 174.510 176.302 -1.792 18281 15176 1 19 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.272 -0.822 18281 15177 1 19 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.096 0.914 18281 15178 1 19 . 1 1 59 59 PHE H H 59 8.570 8.570 8.414 0.156 18281 15179 1 19 . 1 1 60 60 GLY N N 60 104.600 104.600 112.609 -8.009 18281 15180 1 19 . 1 1 60 60 GLY C C 60 173.500 173.500 172.581 0.919 18281 15181 1 19 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.303 0.527 18281 15182 1 19 . 1 1 60 60 GLY H H 60 7.800 7.800 8.220 -0.420 18281 15183 1 19 . 1 1 61 61 GLU N N 61 119.400 119.400 120.324 -0.924 18281 15184 1 19 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.394 -0.284 18281 15185 1 19 . 1 1 61 61 GLU CA C 61 56.800 56.800 55.708 1.092 18281 15186 1 19 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.667 0.273 18281 15187 1 19 . 1 1 61 61 GLU H H 61 8.290 8.290 8.467 -0.177 18281 15188 1 19 . 1 1 62 62 GLY N N 62 110.940 110.940 114.217 -3.277 18281 15189 1 19 . 1 1 62 62 GLY CA C 62 46.200 46.200 45.152 1.048 18281 15190 1 19 . 1 1 62 62 GLY H H 62 8.870 8.870 8.687 0.183 18281 15191 1 19 . 1 1 66 66 GLY C C 66 176.930 176.930 172.804 4.126 18281 15192 1 19 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.338 -0.258 18281 15193 1 19 . 1 1 67 67 TYR N N 67 115.490 115.490 115.782 -0.292 18281 15194 1 19 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.522 0.058 18281 15195 1 19 . 1 1 67 67 TYR C C 67 175.470 175.470 173.398 2.072 18281 15196 1 19 . 1 1 67 67 TYR CA C 67 55.920 55.920 55.901 0.019 18281 15197 1 19 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.200 0.520 18281 15198 1 19 . 1 1 67 67 TYR H H 67 8.110 8.110 7.596 0.514 18281 15199 1 19 . 1 1 68 68 VAL N N 68 111.980 111.980 121.166 -9.186 18281 15200 1 19 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.908 0.112 18281 15201 1 19 . 1 1 68 68 VAL C C 68 175.480 175.480 175.070 0.410 18281 15202 1 19 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.298 -0.798 18281 15203 1 19 . 1 1 68 68 VAL CB C 68 36.460 36.460 36.366 0.094 18281 15204 1 19 . 1 1 68 68 VAL H H 68 8.840 8.840 8.602 0.238 18281 15205 1 19 . 1 1 69 69 LYS N N 69 118.430 118.430 121.433 -3.003 18281 15206 1 19 . 1 1 69 69 LYS HA H 69 5.700 5.700 4.787 0.913 18281 15207 1 19 . 1 1 69 69 LYS C C 69 175.740 175.740 175.148 0.592 18281 15208 1 19 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.393 0.977 18281 15209 1 19 . 1 1 69 69 LYS CB C 69 36.580 36.580 36.192 0.388 18281 15210 1 19 . 1 1 69 69 LYS H H 69 8.590 8.590 9.168 -0.578 18281 15211 1 19 . 1 1 70 70 HIS N N 70 122.590 122.590 119.045 3.545 18281 15212 1 19 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.302 0.888 18281 15213 1 19 . 1 1 70 70 HIS C C 70 174.590 174.590 173.639 0.951 18281 15214 1 19 . 1 1 70 70 HIS CA C 70 51.840 51.840 54.836 -2.996 18281 15215 1 19 . 1 1 70 70 HIS CB C 70 36.010 36.010 34.059 1.951 18281 15216 1 19 . 1 1 70 70 HIS H H 70 9.160 9.160 8.453 0.707 18281 15217 1 19 . 1 1 71 71 LYS N N 71 122.760 122.760 122.337 0.423 18281 15218 1 19 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.520 -0.030 18281 15219 1 19 . 1 1 71 71 LYS C C 71 175.500 175.500 174.677 0.823 18281 15220 1 19 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.304 -0.264 18281 15221 1 19 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.782 -0.912 18281 15222 1 19 . 1 1 71 71 LYS H H 71 9.460 9.460 9.441 0.019 18281 15223 1 19 . 1 1 72 72 ILE N N 72 127.870 127.870 126.819 1.051 18281 15224 1 19 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.467 -0.587 18281 15225 1 19 . 1 1 72 72 ILE C C 72 175.430 175.430 175.554 -0.124 18281 15226 1 19 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.515 1.885 18281 15227 1 19 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.276 -1.236 18281 15228 1 19 . 1 1 72 72 ILE H H 72 9.320 9.320 8.601 0.719 18281 15229 1 19 . 1 1 73 73 HIS N N 73 127.690 127.690 127.081 0.609 18281 15230 1 19 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.673 0.447 18281 15231 1 19 . 1 1 73 73 HIS C C 73 176.240 176.240 175.010 1.230 18281 15232 1 19 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.488 -0.518 18281 15233 1 19 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.526 0.414 18281 15234 1 19 . 1 1 73 73 HIS H H 73 9.080 9.080 8.499 0.581 18281 15235 1 19 . 1 1 74 74 SER N N 74 110.900 110.900 112.808 -1.908 18281 15236 1 19 . 1 1 74 74 SER HA H 74 4.760 4.760 4.594 0.166 18281 15237 1 19 . 1 1 74 74 SER C C 74 172.620 172.620 172.379 0.241 18281 15238 1 19 . 1 1 74 74 SER CA C 74 57.880 57.880 58.186 -0.306 18281 15239 1 19 . 1 1 74 74 SER CB C 74 66.790 66.790 64.695 2.095 18281 15240 1 19 . 1 1 74 74 SER H H 74 8.180 8.180 7.767 0.413 18281 15241 1 19 . 1 1 75 75 ILE N N 75 123.780 123.780 115.856 7.924 18281 15242 1 19 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.973 -0.292 18281 15243 1 19 . 1 1 75 75 ILE C C 75 174.010 174.010 174.255 -0.245 18281 15244 1 19 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.855 2.285 18281 15245 1 19 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.313 -1.004 18281 15246 1 19 . 1 1 75 75 ILE H H 75 8.730 8.730 8.350 0.380 18281 15247 1 19 . 1 1 76 76 ASP N N 76 127.280 127.280 126.477 0.803 18281 15248 1 19 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.064 0.016 18281 15249 1 19 . 1 1 76 76 ASP C C 76 176.680 176.680 176.034 0.646 18281 15250 1 19 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.155 -1.025 18281 15251 1 19 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.389 0.161 18281 15252 1 19 . 1 1 76 76 ASP H H 76 9.110 9.110 9.146 -0.036 18281 15253 1 19 . 1 1 77 77 LYS N N 77 122.400 122.400 123.656 -1.256 18281 15254 1 19 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.831 0.149 18281 15255 1 19 . 1 1 77 77 LYS C C 77 175.980 175.980 177.599 -1.619 18281 15256 1 19 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.816 -2.397 18281 15257 1 19 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.498 0.282 18281 15258 1 19 . 1 1 77 77 LYS H H 77 8.890 8.890 8.648 0.242 18281 15259 1 19 . 1 1 78 78 VAL N N 78 119.300 119.300 117.792 1.508 18281 15260 1 19 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.551 0.109 18281 15261 1 19 . 1 1 78 78 VAL C C 78 176.290 176.290 176.320 -0.030 18281 15262 1 19 . 1 1 78 78 VAL CA C 78 64.420 64.420 65.013 -0.593 18281 15263 1 19 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.649 0.451 18281 15264 1 19 . 1 1 78 78 VAL H H 78 8.110 8.110 8.032 0.078 18281 15265 1 19 . 1 1 79 79 ASN N N 79 114.400 114.400 115.085 -0.685 18281 15266 1 19 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.649 -0.169 18281 15267 1 19 . 1 1 79 79 ASN C C 79 173.670 173.670 174.180 -0.510 18281 15268 1 19 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.864 -0.323 18281 15269 1 19 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.810 1.280 18281 15270 1 19 . 1 1 79 79 ASN H H 79 7.700 7.700 8.007 -0.307 18281 15271 1 19 . 1 1 80 80 HIS N N 80 115.530 115.530 114.324 1.206 18281 15272 1 19 . 1 1 80 80 HIS C C 80 173.450 173.450 173.195 0.255 18281 15273 1 19 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.593 -0.063 18281 15274 1 19 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.401 0.798 18281 15275 1 19 . 1 1 80 80 HIS H H 80 6.980 6.980 6.796 0.184 18281 15276 1 19 . 1 1 81 81 THR N N 81 109.600 109.600 113.602 -4.002 18281 15277 1 19 . 1 1 81 81 THR HA H 81 5.730 5.730 5.112 0.618 18281 15278 1 19 . 1 1 81 81 THR C C 81 172.980 172.980 172.819 0.161 18281 15279 1 19 . 1 1 81 81 THR CA C 81 60.190 60.190 62.057 -1.867 18281 15280 1 19 . 1 1 81 81 THR CB C 81 71.740 71.740 72.034 -0.294 18281 15281 1 19 . 1 1 81 81 THR H H 81 7.990 7.990 7.955 0.035 18281 15282 1 19 . 1 1 82 82 TYR N N 82 125.000 125.000 128.627 -3.627 18281 15283 1 19 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.031 0.669 18281 15284 1 19 . 1 1 82 82 TYR C C 82 173.600 173.600 173.202 0.398 18281 15285 1 19 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.936 -1.606 18281 15286 1 19 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.303 0.507 18281 15287 1 19 . 1 1 82 82 TYR H H 82 9.300 9.300 9.353 -0.053 18281 15288 1 19 . 1 1 83 83 SER N N 83 121.820 121.820 123.136 -1.316 18281 15289 1 19 . 1 1 83 83 SER HA H 83 5.670 5.670 5.261 0.409 18281 15290 1 19 . 1 1 83 83 SER C C 83 173.490 173.490 172.710 0.780 18281 15291 1 19 . 1 1 83 83 SER CA C 83 56.420 56.420 57.359 -0.939 18281 15292 1 19 . 1 1 83 83 SER CB C 83 65.520 65.520 65.724 -0.204 18281 15293 1 19 . 1 1 83 83 SER H H 83 9.090 9.090 8.011 1.079 18281 15294 1 19 . 1 1 84 84 TYR N N 84 122.970 122.970 121.534 1.436 18281 15295 1 19 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.338 -0.108 18281 15296 1 19 . 1 1 84 84 TYR C C 84 172.530 172.530 173.209 -0.679 18281 15297 1 19 . 1 1 84 84 TYR CA C 84 56.420 56.420 55.866 0.554 18281 15298 1 19 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.623 -0.673 18281 15299 1 19 . 1 1 84 84 TYR H H 84 8.790 8.790 9.227 -0.437 18281 15300 1 19 . 1 1 85 85 SER N N 85 114.200 114.200 113.193 1.007 18281 15301 1 19 . 1 1 85 85 SER HA H 85 5.700 5.700 5.255 0.445 18281 15302 1 19 . 1 1 85 85 SER C C 85 173.180 173.180 172.847 0.333 18281 15303 1 19 . 1 1 85 85 SER CA C 85 57.510 57.510 57.742 -0.232 18281 15304 1 19 . 1 1 85 85 SER CB C 85 65.940 65.940 67.286 -1.346 18281 15305 1 19 . 1 1 85 85 SER H H 85 9.350 9.350 9.513 -0.163 18281 15306 1 19 . 1 1 86 86 LEU N N 86 128.880 128.880 124.850 4.030 18281 15307 1 19 . 1 1 86 86 LEU HA H 86 5.230 5.230 5.167 0.063 18281 15308 1 19 . 1 1 86 86 LEU C C 86 176.230 176.230 177.320 -1.090 18281 15309 1 19 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.427 1.163 18281 15310 1 19 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.293 0.857 18281 15311 1 19 . 1 1 86 86 LEU H H 86 9.900 9.900 9.176 0.724 18281 15312 1 19 . 1 1 87 87 ILE N N 87 115.900 115.900 127.217 -11.317 18281 15313 1 19 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.037 0.893 18281 15314 1 19 . 1 1 87 87 ILE C C 87 176.080 176.080 175.682 0.398 18281 15315 1 19 . 1 1 87 87 ILE CA C 87 61.270 61.270 64.741 -3.471 18281 15316 1 19 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.744 1.086 18281 15317 1 19 . 1 1 87 87 ILE H H 87 8.180 8.180 8.225 -0.045 18281 15318 1 19 . 1 1 88 88 GLU N N 88 121.920 121.920 116.210 5.710 18281 15319 1 19 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.572 -0.062 18281 15320 1 19 . 1 1 88 88 GLU C C 88 174.020 174.020 174.897 -0.877 18281 15321 1 19 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.166 1.874 18281 15322 1 19 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.476 1.494 18281 15323 1 19 . 1 1 88 88 GLU H H 88 7.650 7.650 7.728 -0.078 18281 15324 1 19 . 1 1 89 89 GLY N N 89 111.650 111.650 107.975 3.675 18281 15325 1 19 . 1 1 89 89 GLY C C 89 173.800 173.800 174.364 -0.564 18281 15326 1 19 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.851 0.099 18281 15327 1 19 . 1 1 89 89 GLY H H 89 8.830 8.830 8.198 0.632 18281 15328 1 19 . 1 1 90 90 ASP N N 90 119.650 119.650 124.796 -5.146 18281 15329 1 19 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.194 0.166 18281 15330 1 19 . 1 1 90 90 ASP C C 90 176.570 176.570 177.023 -0.453 18281 15331 1 19 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.732 0.308 18281 15332 1 19 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.307 0.973 18281 15333 1 19 . 1 1 90 90 ASP H H 90 8.430 8.430 8.044 0.386 18281 15334 1 19 . 1 1 91 91 ALA N N 91 118.530 118.530 119.183 -0.653 18281 15335 1 19 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.130 0.110 18281 15336 1 19 . 1 1 91 91 ALA C C 91 177.740 177.740 178.184 -0.444 18281 15337 1 19 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.528 -0.318 18281 15338 1 19 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.653 0.657 18281 15339 1 19 . 1 1 91 91 ALA H H 91 7.810 7.810 7.913 -0.103 18281 15340 1 19 . 1 1 92 92 LEU N N 92 117.330 117.330 118.165 -0.835 18281 15341 1 19 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.282 0.178 18281 15342 1 19 . 1 1 92 92 LEU C C 92 176.210 176.210 176.960 -0.750 18281 15343 1 19 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.634 -1.614 18281 15344 1 19 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.665 -2.455 18281 15345 1 19 . 1 1 92 92 LEU H H 92 7.600 7.600 7.850 -0.250 18281 15346 1 19 . 1 1 93 93 SER N N 93 115.780 115.780 112.495 3.285 18281 15347 1 19 . 1 1 93 93 SER HA H 93 4.620 4.620 4.059 0.561 18281 15348 1 19 . 1 1 93 93 SER C C 93 173.970 173.970 173.633 0.337 18281 15349 1 19 . 1 1 93 93 SER CA C 93 57.730 57.730 59.504 -1.774 18281 15350 1 19 . 1 1 93 93 SER CB C 93 64.920 64.920 63.559 1.361 18281 15351 1 19 . 1 1 93 93 SER H H 93 7.910 7.910 7.744 0.166 18281 15352 1 19 . 1 1 94 94 GLU N N 94 119.400 119.400 118.655 0.745 18281 15353 1 19 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.150 0.010 18281 15354 1 19 . 1 1 94 94 GLU C C 94 176.570 176.570 176.877 -0.307 18281 15355 1 19 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.441 1.259 18281 15356 1 19 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.747 -0.537 18281 15357 1 19 . 1 1 94 94 GLU H H 94 8.850 8.850 8.622 0.228 18281 15358 1 19 . 1 1 95 95 ASN N N 95 113.460 113.460 118.353 -4.893 18281 15359 1 19 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.666 0.134 18281 15360 1 19 . 1 1 95 95 ASN C C 95 174.070 174.070 175.361 -1.291 18281 15361 1 19 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.696 -0.576 18281 15362 1 19 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.239 0.111 18281 15363 1 19 . 1 1 95 95 ASN H H 95 8.290 8.290 7.572 0.718 18281 15364 1 19 . 1 1 96 96 ILE N N 96 120.610 120.610 120.445 0.165 18281 15365 1 19 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.031 0.159 18281 15366 1 19 . 1 1 96 96 ILE CA C 96 60.930 60.930 62.068 -1.138 18281 15367 1 19 . 1 1 96 96 ILE CB C 96 38.870 38.870 38.483 0.388 18281 15368 1 19 . 1 1 96 96 ILE H H 96 7.770 7.770 7.570 0.200 18281 15369 1 19 . 1 1 97 97 GLU N N 97 126.670 126.670 125.419 1.251 18281 15370 1 19 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.532 0.258 18281 15371 1 19 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.325 0.875 18281 15372 1 19 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.256 1.694 18281 15373 1 19 . 1 1 97 97 GLU H H 97 8.460 8.460 8.900 -0.440 18281 15374 1 19 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.435 0.275 18281 15375 1 19 . 1 1 98 98 LYS C C 98 173.650 173.650 176.488 -2.838 18281 15376 1 19 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.683 -1.713 18281 15377 1 19 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.348 1.452 18281 15378 1 19 . 1 1 99 99 ILE N N 99 120.290 120.290 120.677 -0.387 18281 15379 1 19 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.518 0.272 18281 15380 1 19 . 1 1 99 99 ILE C C 99 174.690 174.690 174.735 -0.045 18281 15381 1 19 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.854 0.446 18281 15382 1 19 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.117 0.433 18281 15383 1 19 . 1 1 99 99 ILE H H 99 7.720 7.720 8.188 -0.468 18281 15384 1 19 . 1 1 100 100 ASP N N 100 126.970 126.970 126.187 0.783 18281 15385 1 19 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.891 0.209 18281 15386 1 19 . 1 1 100 100 ASP C C 100 174.490 174.490 174.723 -0.233 18281 15387 1 19 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.964 -0.334 18281 15388 1 19 . 1 1 100 100 ASP CB C 100 42.850 42.850 41.708 1.142 18281 15389 1 19 . 1 1 100 100 ASP H H 100 9.220 9.220 8.361 0.859 18281 15390 1 19 . 1 1 101 101 TYR N N 101 120.640 120.640 123.127 -2.487 18281 15391 1 19 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.689 0.591 18281 15392 1 19 . 1 1 101 101 TYR C C 101 175.740 175.740 174.677 1.063 18281 15393 1 19 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.833 0.147 18281 15394 1 19 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.395 0.245 18281 15395 1 19 . 1 1 101 101 TYR H H 101 9.140 9.140 9.192 -0.052 18281 15396 1 19 . 1 1 102 102 GLU N N 102 122.040 122.040 122.064 -0.024 18281 15397 1 19 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.850 0.280 18281 15398 1 19 . 1 1 102 102 GLU C C 102 175.360 175.360 175.867 -0.507 18281 15399 1 19 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.089 0.781 18281 15400 1 19 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.068 -0.998 18281 15401 1 19 . 1 1 102 102 GLU H H 102 8.670 8.670 9.507 -0.837 18281 15402 1 19 . 1 1 103 103 THR N N 103 125.840 125.840 119.506 6.334 18281 15403 1 19 . 1 1 103 103 THR HA H 103 5.580 5.580 4.916 0.664 18281 15404 1 19 . 1 1 103 103 THR C C 103 172.780 172.780 173.091 -0.311 18281 15405 1 19 . 1 1 103 103 THR CA C 103 62.150 62.150 62.081 0.069 18281 15406 1 19 . 1 1 103 103 THR CB C 103 71.750 71.750 71.864 -0.114 18281 15407 1 19 . 1 1 103 103 THR H H 103 9.550 9.550 9.236 0.314 18281 15408 1 19 . 1 1 104 104 LYS N N 104 126.990 126.990 127.139 -0.149 18281 15409 1 19 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.852 0.388 18281 15410 1 19 . 1 1 104 104 LYS C C 104 174.300 174.300 173.893 0.407 18281 15411 1 19 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.380 -0.050 18281 15412 1 19 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.249 -0.309 18281 15413 1 19 . 1 1 104 104 LYS H H 104 9.430 9.430 8.528 0.902 18281 15414 1 19 . 1 1 105 105 LEU N N 105 124.700 124.700 127.315 -2.615 18281 15415 1 19 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.685 0.525 18281 15416 1 19 . 1 1 105 105 LEU C C 105 175.780 175.780 175.928 -0.148 18281 15417 1 19 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.631 0.989 18281 15418 1 19 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.140 0.810 18281 15419 1 19 . 1 1 105 105 LEU H H 105 8.410 8.410 8.243 0.167 18281 15420 1 19 . 1 1 106 106 VAL N N 106 123.290 123.290 123.845 -0.555 18281 15421 1 19 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.388 0.042 18281 15422 1 19 . 1 1 106 106 VAL C C 106 175.560 175.560 174.617 0.943 18281 15423 1 19 . 1 1 106 106 VAL CA C 106 60.470 60.470 61.001 -0.531 18281 15424 1 19 . 1 1 106 106 VAL CB C 106 35.020 35.020 34.347 0.673 18281 15425 1 19 . 1 1 106 106 VAL H H 106 9.180 9.180 9.142 0.038 18281 15426 1 19 . 1 1 107 107 SER N N 107 121.800 121.800 121.387 0.413 18281 15427 1 19 . 1 1 107 107 SER HA H 107 4.660 4.660 4.716 -0.056 18281 15428 1 19 . 1 1 107 107 SER C C 107 173.600 173.600 173.668 -0.068 18281 15429 1 19 . 1 1 107 107 SER CA C 107 59.860 59.860 56.735 3.125 18281 15430 1 19 . 1 1 107 107 SER CB C 107 63.250 63.250 64.473 -1.223 18281 15431 1 19 . 1 1 107 107 SER H H 107 8.910 8.910 8.420 0.490 18281 15432 1 19 . 1 1 108 108 ALA N N 108 129.210 129.210 123.783 5.427 18281 15433 1 19 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.748 -0.118 18281 15434 1 19 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.863 0.757 18281 15435 1 19 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.362 0.438 18281 15436 1 19 . 1 1 108 108 ALA H H 108 8.310 8.310 8.162 0.148 18281 15437 1 19 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.428 -0.008 18281 15438 1 19 . 1 1 109 109 PRO CA C 109 63.700 63.700 63.788 -0.088 18281 15439 1 19 . 1 1 109 109 PRO CB C 109 32.200 32.200 29.624 2.576 18281 15440 1 19 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.318 0.452 18281 15441 1 19 . 1 1 110 110 HIS C C 110 175.760 175.760 174.706 1.054 18281 15442 1 19 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.276 -0.887 18281 15443 1 19 . 1 1 110 110 HIS CB C 110 29.410 29.410 28.689 0.720 18281 15444 1 19 . 1 1 111 111 GLY N N 111 108.720 108.720 105.850 2.870 18281 15445 1 19 . 1 1 111 111 GLY C C 111 174.390 174.390 173.795 0.595 18281 15446 1 19 . 1 1 111 111 GLY CA C 111 45.130 45.130 44.916 0.214 18281 15447 1 19 . 1 1 111 111 GLY H H 111 7.730 7.730 7.765 -0.035 18281 15448 1 19 . 1 1 112 112 GLY N N 112 107.670 107.670 109.309 -1.639 18281 15449 1 19 . 1 1 112 112 GLY C C 112 174.150 174.150 173.247 0.903 18281 15450 1 19 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.668 -0.248 18281 15451 1 19 . 1 1 112 112 GLY H H 112 7.600 7.600 7.694 -0.094 18281 15452 1 19 . 1 1 113 113 THR N N 113 119.830 119.830 118.059 1.771 18281 15453 1 19 . 1 1 113 113 THR HA H 113 5.060 5.060 4.912 0.148 18281 15454 1 19 . 1 1 113 113 THR C C 113 173.250 173.250 173.417 -0.167 18281 15455 1 19 . 1 1 113 113 THR CA C 113 62.990 62.990 62.130 0.860 18281 15456 1 19 . 1 1 113 113 THR CB C 113 72.270 72.270 71.198 1.072 18281 15457 1 19 . 1 1 113 113 THR H H 113 9.070 9.070 7.901 1.169 18281 15458 1 19 . 1 1 114 114 ILE N N 114 127.600 127.600 126.284 1.316 18281 15459 1 19 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.386 0.124 18281 15460 1 19 . 1 1 114 114 ILE C C 114 174.370 174.370 174.252 0.118 18281 15461 1 19 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.571 0.589 18281 15462 1 19 . 1 1 114 114 ILE CB C 114 39.970 39.970 40.359 -0.389 18281 15463 1 19 . 1 1 114 114 ILE H H 114 9.490 9.490 9.316 0.174 18281 15464 1 19 . 1 1 115 115 ILE N N 115 129.200 129.200 127.571 1.629 18281 15465 1 19 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.767 -0.267 18281 15466 1 19 . 1 1 115 115 ILE C C 115 175.000 175.000 174.997 0.003 18281 15467 1 19 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.071 1.329 18281 15468 1 19 . 1 1 115 115 ILE CB C 115 38.000 38.000 39.364 -1.364 18281 15469 1 19 . 1 1 115 115 ILE H H 115 9.220 9.220 9.112 0.108 18281 15470 1 19 . 1 1 116 116 LYS N N 116 127.550 127.550 128.812 -1.262 18281 15471 1 19 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.326 -0.156 18281 15472 1 19 . 1 1 116 116 LYS C C 116 176.300 176.300 175.725 0.575 18281 15473 1 19 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.739 0.631 18281 15474 1 19 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.817 -0.237 18281 15475 1 19 . 1 1 116 116 LYS H H 116 9.130 9.130 8.295 0.835 18281 15476 1 19 . 1 1 117 117 THR N N 117 120.940 120.940 121.956 -1.016 18281 15477 1 19 . 1 1 117 117 THR HA H 117 5.730 5.730 5.137 0.593 18281 15478 1 19 . 1 1 117 117 THR C C 117 174.620 174.620 173.684 0.936 18281 15479 1 19 . 1 1 117 117 THR CA C 117 60.990 60.990 61.447 -0.457 18281 15480 1 19 . 1 1 117 117 THR CB C 117 71.750 71.750 71.289 0.461 18281 15481 1 19 . 1 1 117 117 THR H H 117 9.020 9.020 8.669 0.351 18281 15482 1 19 . 1 1 118 118 THR N N 118 125.750 125.750 124.543 1.207 18281 15483 1 19 . 1 1 118 118 THR HA H 118 5.170 5.170 5.644 -0.474 18281 15484 1 19 . 1 1 118 118 THR C C 118 173.760 173.760 173.086 0.674 18281 15485 1 19 . 1 1 118 118 THR CA C 118 61.800 61.800 61.021 0.779 18281 15486 1 19 . 1 1 118 118 THR CB C 118 70.720 70.720 71.240 -0.520 18281 15487 1 19 . 1 1 118 118 THR H H 118 9.500 9.500 8.735 0.765 18281 15488 1 19 . 1 1 119 119 SER N N 119 122.250 122.250 119.656 2.594 18281 15489 1 19 . 1 1 119 119 SER HA H 119 5.270 5.270 5.372 -0.102 18281 15490 1 19 . 1 1 119 119 SER C C 119 172.960 172.960 172.350 0.610 18281 15491 1 19 . 1 1 119 119 SER CA C 119 55.860 55.860 56.604 -0.744 18281 15492 1 19 . 1 1 119 119 SER CB C 119 66.720 66.720 66.246 0.474 18281 15493 1 19 . 1 1 119 119 SER H H 119 9.410 9.410 8.704 0.706 18281 15494 1 19 . 1 1 120 120 LYS N N 120 124.120 124.120 121.248 2.872 18281 15495 1 19 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.600 0.640 18281 15496 1 19 . 1 1 120 120 LYS C C 120 174.780 174.780 174.707 0.073 18281 15497 1 19 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.571 0.259 18281 15498 1 19 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.364 -0.204 18281 15499 1 19 . 1 1 120 120 LYS H H 120 9.150 9.150 8.518 0.632 18281 15500 1 19 . 1 1 121 121 TYR N N 121 126.500 126.500 121.560 4.940 18281 15501 1 19 . 1 1 121 121 TYR CA C 121 58.000 58.000 57.288 0.712 18281 15502 1 19 . 1 1 121 121 TYR CB C 121 40.200 40.200 39.758 0.442 18281 15503 1 19 . 1 1 121 121 TYR H H 121 9.800 9.800 8.610 1.190 18281 15504 1 19 . 1 1 122 122 HIS C C 122 174.670 174.670 174.854 -0.184 18281 15505 1 19 . 1 1 123 123 THR N N 123 125.750 125.750 113.404 12.346 18281 15506 1 19 . 1 1 123 123 THR HA H 123 5.400 5.400 4.817 0.583 18281 15507 1 19 . 1 1 123 123 THR C C 123 174.460 174.460 174.402 0.058 18281 15508 1 19 . 1 1 123 123 THR CA C 123 60.230 60.230 60.098 0.132 18281 15509 1 19 . 1 1 123 123 THR CB C 123 71.260 71.260 71.895 -0.635 18281 15510 1 19 . 1 1 123 123 THR H H 123 8.920 8.920 8.419 0.501 18281 15511 1 19 . 1 1 124 124 LYS N N 124 121.170 121.170 122.976 -1.806 18281 15512 1 19 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.345 0.415 18281 15513 1 19 . 1 1 124 124 LYS C C 124 176.450 176.450 177.296 -0.846 18281 15514 1 19 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.934 -3.425 18281 15515 1 19 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.777 1.123 18281 15516 1 19 . 1 1 124 124 LYS H H 124 8.590 8.590 8.317 0.273 18281 15517 1 19 . 1 1 125 125 GLY N N 125 110.070 110.070 105.765 4.305 18281 15518 1 19 . 1 1 125 125 GLY C C 125 173.620 173.620 173.920 -0.300 18281 15519 1 19 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.612 -0.342 18281 15520 1 19 . 1 1 125 125 GLY H H 125 8.390 8.390 8.391 -0.001 18281 15521 1 19 . 1 1 126 126 ASP N N 126 120.070 120.070 121.792 -1.722 18281 15522 1 19 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.874 -0.204 18281 15523 1 19 . 1 1 126 126 ASP C C 126 175.580 175.580 177.208 -1.628 18281 15524 1 19 . 1 1 126 126 ASP CA C 126 54.290 54.290 54.036 0.254 18281 15525 1 19 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.156 0.204 18281 15526 1 19 . 1 1 126 126 ASP H H 126 8.440 8.440 8.588 -0.148 18281 15527 1 19 . 1 1 127 127 VAL N N 127 119.620 119.620 116.592 3.028 18281 15528 1 19 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.815 0.425 18281 15529 1 19 . 1 1 127 127 VAL C C 127 174.610 174.610 175.933 -1.323 18281 15530 1 19 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.343 -2.113 18281 15531 1 19 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.119 2.131 18281 15532 1 19 . 1 1 127 127 VAL H H 127 7.620 7.620 7.751 -0.131 18281 15533 1 19 . 1 1 128 128 GLU N N 128 125.030 125.030 117.267 7.763 18281 15534 1 19 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.121 0.009 18281 15535 1 19 . 1 1 128 128 GLU C C 128 175.680 175.680 174.848 0.832 18281 15536 1 19 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.865 -1.325 18281 15537 1 19 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.029 0.761 18281 15538 1 19 . 1 1 128 128 GLU H H 128 8.330 8.330 8.158 0.172 18281 15539 1 19 . 1 1 129 129 ILE N N 129 124.070 124.070 123.686 0.384 18281 15540 1 19 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.384 -0.424 18281 15541 1 19 . 1 1 129 129 ILE C C 129 175.960 175.960 173.950 2.010 18281 15542 1 19 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.669 -0.319 18281 15543 1 19 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.489 -3.809 18281 15544 1 19 . 1 1 129 129 ILE H H 129 7.380 7.380 8.078 -0.698 18281 15545 1 19 . 1 1 130 130 LYS N N 130 127.800 127.800 123.297 4.503 18281 15546 1 19 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.647 -0.367 18281 15547 1 19 . 1 1 130 130 LYS C C 130 177.660 177.660 177.181 0.479 18281 15548 1 19 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.492 0.358 18281 15549 1 19 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.172 -0.362 18281 15550 1 19 . 1 1 130 130 LYS H H 130 8.790 8.790 8.651 0.139 18281 15551 1 19 . 1 1 131 131 GLU N N 131 125.060 125.060 126.633 -1.573 18281 15552 1 19 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.857 -0.047 18281 15553 1 19 . 1 1 131 131 GLU C C 131 178.630 178.630 177.935 0.695 18281 15554 1 19 . 1 1 131 131 GLU CA C 131 59.510 59.510 59.628 -0.118 18281 15555 1 19 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.025 0.275 18281 15556 1 19 . 1 1 131 131 GLU H H 131 8.880 8.880 9.189 -0.309 18281 15557 1 19 . 1 1 132 132 GLU N N 132 117.220 117.220 118.715 -1.495 18281 15558 1 19 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.958 0.022 18281 15559 1 19 . 1 1 132 132 GLU C C 132 178.630 178.630 179.129 -0.499 18281 15560 1 19 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.041 0.569 18281 15561 1 19 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.008 -0.028 18281 15562 1 19 . 1 1 132 132 GLU H H 132 9.200 9.200 8.871 0.329 18281 15563 1 19 . 1 1 133 133 HIS N N 133 119.810 119.810 118.319 1.491 18281 15564 1 19 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.413 0.057 18281 15565 1 19 . 1 1 133 133 HIS C C 133 178.430 178.430 177.843 0.587 18281 15566 1 19 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.515 0.615 18281 15567 1 19 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.590 1.730 18281 15568 1 19 . 1 1 133 133 HIS H H 133 7.500 7.500 7.528 -0.028 18281 15569 1 19 . 1 1 134 134 VAL N N 134 120.370 120.370 120.286 0.084 18281 15570 1 19 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.500 0.150 18281 15571 1 19 . 1 1 134 134 VAL C C 134 179.170 179.170 177.257 1.913 18281 15572 1 19 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.081 -0.901 18281 15573 1 19 . 1 1 134 134 VAL CB C 134 31.710 31.710 30.844 0.866 18281 15574 1 19 . 1 1 134 134 VAL H H 134 7.290 7.290 7.902 -0.612 18281 15575 1 19 . 1 1 135 135 LYS N N 135 121.310 121.310 120.113 1.197 18281 15576 1 19 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.842 0.118 18281 15577 1 19 . 1 1 135 135 LYS C C 135 178.310 178.310 178.431 -0.121 18281 15578 1 19 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.786 -0.456 18281 15579 1 19 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.310 -0.130 18281 15580 1 19 . 1 1 135 135 LYS H H 135 8.310 8.310 8.243 0.067 18281 15581 1 19 . 1 1 136 136 ALA N N 136 121.150 121.150 121.130 0.020 18281 15582 1 19 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.153 0.077 18281 15583 1 19 . 1 1 136 136 ALA C C 136 180.930 180.930 179.702 1.228 18281 15584 1 19 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.022 -0.001 18281 15585 1 19 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.295 -0.545 18281 15586 1 19 . 1 1 136 136 ALA H H 136 7.950 7.950 7.649 0.301 18281 15587 1 19 . 1 1 137 137 GLY N N 137 105.640 105.640 107.050 -1.410 18281 15588 1 19 . 1 1 137 137 GLY C C 137 177.000 177.000 176.424 0.576 18281 15589 1 19 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.137 0.023 18281 15590 1 19 . 1 1 137 137 GLY H H 137 7.930 7.930 7.927 0.003 18281 15591 1 19 . 1 1 138 138 LYS N N 138 124.210 124.210 121.904 2.306 18281 15592 1 19 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.125 0.105 18281 15593 1 19 . 1 1 138 138 LYS C C 138 178.860 178.860 178.779 0.081 18281 15594 1 19 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.074 -0.284 18281 15595 1 19 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.474 0.196 18281 15596 1 19 . 1 1 138 138 LYS H H 138 7.960 7.960 7.936 0.024 18281 15597 1 19 . 1 1 139 139 GLU N N 139 119.720 119.720 119.877 -0.157 18281 15598 1 19 . 1 1 139 139 GLU HA H 139 4.140 4.140 4.098 0.042 18281 15599 1 19 . 1 1 139 139 GLU C C 139 179.710 179.710 178.446 1.264 18281 15600 1 19 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.463 -0.283 18281 15601 1 19 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.656 -0.356 18281 15602 1 19 . 1 1 139 139 GLU H H 139 8.370 8.370 8.433 -0.063 18281 15603 1 19 . 1 1 140 140 LYS N N 140 120.270 120.270 120.013 0.257 18281 15604 1 19 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.969 0.141 18281 15605 1 19 . 1 1 140 140 LYS C C 140 179.210 179.210 178.876 0.334 18281 15606 1 19 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.879 -0.269 18281 15607 1 19 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.418 -0.038 18281 15608 1 19 . 1 1 140 140 LYS H H 140 8.140 8.140 8.513 -0.373 18281 15609 1 19 . 1 1 141 141 ALA N N 141 121.910 121.910 120.836 1.074 18281 15610 1 19 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.163 -0.123 18281 15611 1 19 . 1 1 141 141 ALA C C 141 179.530 179.530 179.693 -0.163 18281 15612 1 19 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.038 -0.018 18281 15613 1 19 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.334 0.046 18281 15614 1 19 . 1 1 141 141 ALA H H 141 7.730 7.730 7.774 -0.044 18281 15615 1 19 . 1 1 142 142 ALA N N 142 120.440 120.440 121.496 -1.056 18281 15616 1 19 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.146 -0.266 18281 15617 1 19 . 1 1 142 142 ALA C C 142 180.080 180.080 179.110 0.970 18281 15618 1 19 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.149 -0.249 18281 15619 1 19 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.344 -0.114 18281 15620 1 19 . 1 1 142 142 ALA H H 142 8.280 8.280 8.037 0.243 18281 15621 1 19 . 1 1 143 143 HIS N N 143 118.280 118.280 118.722 -0.442 18281 15622 1 19 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.237 0.113 18281 15623 1 19 . 1 1 143 143 HIS C C 143 177.350 177.350 177.532 -0.182 18281 15624 1 19 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.528 -0.098 18281 15625 1 19 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.859 0.891 18281 15626 1 19 . 1 1 143 143 HIS H H 143 8.030 8.030 8.407 -0.377 18281 15627 1 19 . 1 1 144 144 LEU N N 144 118.820 118.820 119.514 -0.694 18281 15628 1 19 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.680 0.230 18281 15629 1 19 . 1 1 144 144 LEU C C 144 179.040 179.040 178.816 0.224 18281 15630 1 19 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.952 0.129 18281 15631 1 19 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.369 -0.409 18281 15632 1 19 . 1 1 144 144 LEU H H 144 7.700 7.700 7.693 0.007 18281 15633 1 19 . 1 1 145 145 PHE N N 145 116.920 116.920 115.999 0.921 18281 15634 1 19 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.046 -0.046 18281 15635 1 19 . 1 1 145 145 PHE C C 145 177.900 177.900 177.600 0.300 18281 15636 1 19 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.083 0.067 18281 15637 1 19 . 1 1 145 145 PHE CB C 145 37.750 37.750 37.926 -0.176 18281 15638 1 19 . 1 1 145 145 PHE H H 145 8.100 8.100 7.825 0.275 18281 15639 1 19 . 1 1 146 146 LYS N N 146 119.710 119.710 119.750 -0.040 18281 15640 1 19 . 1 1 146 146 LYS HA H 146 4.130 4.130 3.925 0.205 18281 15641 1 19 . 1 1 146 146 LYS C C 146 177.750 177.750 178.177 -0.427 18281 15642 1 19 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.098 -0.198 18281 15643 1 19 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.190 0.090 18281 15644 1 19 . 1 1 146 146 LYS H H 146 8.040 8.040 7.665 0.375 18281 15645 1 19 . 1 1 147 147 LEU N N 147 118.970 118.970 119.931 -0.961 18281 15646 1 19 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.673 0.327 18281 15647 1 19 . 1 1 147 147 LEU C C 147 180.460 180.460 178.836 1.624 18281 15648 1 19 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.027 0.443 18281 15649 1 19 . 1 1 147 147 LEU CB C 147 42.400 42.400 40.906 1.494 18281 15650 1 19 . 1 1 147 147 LEU H H 147 7.960 7.960 7.502 0.458 18281 15651 1 19 . 1 1 148 148 ILE N N 148 121.410 121.410 119.955 1.455 18281 15652 1 19 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.712 -0.172 18281 15653 1 19 . 1 1 148 148 ILE C C 148 177.030 177.030 178.102 -1.072 18281 15654 1 19 . 1 1 148 148 ILE CA C 148 65.400 65.400 66.331 -0.931 18281 15655 1 19 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.617 0.073 18281 15656 1 19 . 1 1 148 148 ILE H H 148 8.200 8.200 8.041 0.159 18281 15657 1 19 . 1 1 149 149 GLU N N 149 120.450 120.450 119.880 0.570 18281 15658 1 19 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.109 -0.429 18281 15659 1 19 . 1 1 149 149 GLU C C 149 178.540 178.540 179.216 -0.676 18281 15660 1 19 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.485 0.835 18281 15661 1 19 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.609 -0.779 18281 15662 1 19 . 1 1 149 149 GLU H H 149 8.680 8.680 7.904 0.776 18281 15663 1 19 . 1 1 150 150 GLY N N 150 104.450 104.450 107.895 -3.445 18281 15664 1 19 . 1 1 150 150 GLY C C 150 175.670 175.670 176.394 -0.724 18281 15665 1 19 . 1 1 150 150 GLY CA C 150 47.250 47.250 47.049 0.201 18281 15666 1 19 . 1 1 150 150 GLY H H 150 8.180 8.180 7.797 0.383 18281 15667 1 19 . 1 1 151 151 TYR N N 151 122.120 122.120 122.270 -0.150 18281 15668 1 19 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.256 0.124 18281 15669 1 19 . 1 1 151 151 TYR C C 151 179.360 179.360 178.263 1.097 18281 15670 1 19 . 1 1 151 151 TYR CA C 151 62.320 62.320 60.343 1.977 18281 15671 1 19 . 1 1 151 151 TYR CB C 151 36.390 36.390 37.903 -1.512 18281 15672 1 19 . 1 1 151 151 TYR H H 151 7.910 7.910 7.972 -0.062 18281 15673 1 19 . 1 1 152 152 LEU N N 152 120.020 120.020 118.879 1.141 18281 15674 1 19 . 1 1 152 152 LEU HA H 152 4.030 4.030 3.989 0.041 18281 15675 1 19 . 1 1 152 152 LEU C C 152 180.320 180.320 178.597 1.723 18281 15676 1 19 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.693 0.067 18281 15677 1 19 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.742 -0.742 18281 15678 1 19 . 1 1 152 152 LEU H H 152 8.630 8.630 7.840 0.790 18281 15679 1 19 . 1 1 153 153 LYS N N 153 119.730 119.730 117.914 1.816 18281 15680 1 19 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.965 0.005 18281 15681 1 19 . 1 1 153 153 LYS C C 153 178.150 178.150 178.508 -0.358 18281 15682 1 19 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.979 0.421 18281 15683 1 19 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.405 -0.055 18281 15684 1 19 . 1 1 153 153 LYS H H 153 8.260 8.260 7.562 0.698 18281 15685 1 19 . 1 1 154 154 ASP N N 154 117.020 117.020 118.014 -0.994 18281 15686 1 19 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.453 -0.453 18281 15687 1 19 . 1 1 154 154 ASP C C 154 175.660 175.660 176.357 -0.697 18281 15688 1 19 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.836 -0.806 18281 15689 1 19 . 1 1 154 154 ASP H H 154 7.560 7.560 7.644 -0.084 18281 15690 1 19 . 1 1 155 155 HIS N N 155 117.160 117.160 117.872 -0.712 18281 15691 1 19 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.893 0.007 18281 15692 1 19 . 1 1 155 155 HIS CA C 155 54.150 54.150 52.768 1.382 18281 15693 1 19 . 1 1 155 155 HIS CB C 155 27.990 27.990 31.626 -3.636 18281 15694 1 19 . 1 1 155 155 HIS H H 155 7.430 7.430 7.709 -0.279 18281 15695 1 20 . 1 1 3 3 VAL N N 3 119.910 119.910 121.056 -1.146 18281 15696 1 20 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.136 0.784 18281 15697 1 20 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.842 -0.822 18281 15698 1 20 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.081 1.049 18281 15699 1 20 . 1 1 3 3 VAL H H 3 7.630 7.630 7.700 -0.070 18281 15700 1 20 . 1 1 4 4 TYR N N 4 119.930 119.930 125.017 -5.087 18281 15701 1 20 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.484 0.186 18281 15702 1 20 . 1 1 4 4 TYR C C 4 174.670 174.670 174.565 0.105 18281 15703 1 20 . 1 1 4 4 TYR CA C 4 57.470 57.470 57.251 0.219 18281 15704 1 20 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.564 0.706 18281 15705 1 20 . 1 1 4 4 TYR H H 4 8.660 8.660 8.323 0.337 18281 15706 1 20 . 1 1 5 5 THR N N 5 119.930 119.930 120.720 -0.790 18281 15707 1 20 . 1 1 5 5 THR HA H 5 5.290 5.290 4.369 0.921 18281 15708 1 20 . 1 1 5 5 THR C C 5 173.180 173.180 173.019 0.161 18281 15709 1 20 . 1 1 5 5 THR CA C 5 61.780 61.780 61.785 -0.005 18281 15710 1 20 . 1 1 5 5 THR CB C 5 70.360 70.360 69.338 1.022 18281 15711 1 20 . 1 1 5 5 THR H H 5 8.230 8.230 7.204 1.026 18281 15712 1 20 . 1 1 6 6 TYR N N 6 125.060 125.060 125.018 0.042 18281 15713 1 20 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.849 0.441 18281 15714 1 20 . 1 1 6 6 TYR C C 6 174.380 174.380 174.313 0.067 18281 15715 1 20 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.934 0.175 18281 15716 1 20 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.798 0.052 18281 15717 1 20 . 1 1 6 6 TYR H H 6 9.210 9.210 8.511 0.699 18281 15718 1 20 . 1 1 7 7 GLU N N 7 122.360 122.360 123.791 -1.431 18281 15719 1 20 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.889 0.471 18281 15720 1 20 . 1 1 7 7 GLU C C 7 175.390 175.390 174.990 0.400 18281 15721 1 20 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.816 0.164 18281 15722 1 20 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.718 0.332 18281 15723 1 20 . 1 1 7 7 GLU H H 7 8.830 8.830 8.816 0.014 18281 15724 1 20 . 1 1 8 8 ASN N N 8 119.960 119.960 124.639 -4.679 18281 15725 1 20 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.045 0.055 18281 15726 1 20 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.444 0.175 18281 15727 1 20 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.291 1.919 18281 15728 1 20 . 1 1 8 8 ASN H H 8 8.800 8.800 9.267 -0.467 18281 15729 1 20 . 1 1 9 9 GLU N N 9 121.420 121.420 125.123 -3.703 18281 15730 1 20 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.730 0.870 18281 15731 1 20 . 1 1 9 9 GLU C C 9 174.590 174.590 174.990 -0.400 18281 15732 1 20 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.362 -0.592 18281 15733 1 20 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.944 1.806 18281 15734 1 20 . 1 1 9 9 GLU H H 9 8.330 8.330 8.738 -0.408 18281 15735 1 20 . 1 1 10 10 PHE N N 10 121.240 121.240 125.142 -3.902 18281 15736 1 20 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.819 0.201 18281 15737 1 20 . 1 1 10 10 PHE C C 10 173.880 173.880 173.151 0.729 18281 15738 1 20 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.318 -1.768 18281 15739 1 20 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.035 -1.565 18281 15740 1 20 . 1 1 10 10 PHE H H 10 8.760 8.760 8.795 -0.035 18281 15741 1 20 . 1 1 11 11 THR N N 11 113.110 113.110 117.324 -4.214 18281 15742 1 20 . 1 1 11 11 THR HA H 11 5.170 5.170 4.943 0.227 18281 15743 1 20 . 1 1 11 11 THR C C 11 173.530 173.530 173.242 0.288 18281 15744 1 20 . 1 1 11 11 THR CA C 11 60.940 60.940 59.581 1.359 18281 15745 1 20 . 1 1 11 11 THR CB C 11 71.260 71.260 70.382 0.879 18281 15746 1 20 . 1 1 11 11 THR H H 11 8.470 8.470 7.395 1.075 18281 15747 1 20 . 1 1 12 12 SER N N 12 115.490 115.490 116.770 -1.280 18281 15748 1 20 . 1 1 12 12 SER C C 12 173.530 173.530 172.713 0.817 18281 15749 1 20 . 1 1 12 12 SER CA C 12 56.460 56.460 57.346 -0.886 18281 15750 1 20 . 1 1 12 12 SER CB C 12 66.320 66.320 66.464 -0.144 18281 15751 1 20 . 1 1 12 12 SER H H 12 8.870 8.870 9.050 -0.180 18281 15752 1 20 . 1 1 13 13 ASP N N 13 126.650 126.650 120.961 5.689 18281 15753 1 20 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.840 -0.100 18281 15754 1 20 . 1 1 13 13 ASP C C 13 174.520 174.520 176.358 -1.838 18281 15755 1 20 . 1 1 13 13 ASP CA C 13 55.030 55.030 53.713 1.317 18281 15756 1 20 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.403 -0.403 18281 15757 1 20 . 1 1 13 13 ASP H H 13 9.060 9.060 8.396 0.664 18281 15758 1 20 . 1 1 14 14 ILE N N 14 123.580 123.580 117.196 6.384 18281 15759 1 20 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.954 0.396 18281 15760 1 20 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.167 -3.777 18281 15761 1 20 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.674 -0.334 18281 15762 1 20 . 1 1 14 14 ILE H H 14 8.470 8.470 8.203 0.267 18281 15763 1 20 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.544 -0.104 18281 15764 1 20 . 1 1 15 15 PRO C C 15 177.130 177.130 177.640 -0.510 18281 15765 1 20 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.266 0.804 18281 15766 1 20 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.764 0.686 18281 15767 1 20 . 1 1 16 16 ALA N N 16 126.780 126.780 125.984 0.796 18281 15768 1 20 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.986 0.014 18281 15769 1 20 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.034 0.066 18281 15770 1 20 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.102 0.198 18281 15771 1 20 . 1 1 16 16 ALA H H 16 8.570 8.570 8.417 0.153 18281 15772 1 20 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.407 -0.507 18281 15773 1 20 . 1 1 17 17 PRO C C 17 179.610 179.610 179.203 0.407 18281 15774 1 20 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.379 0.631 18281 15775 1 20 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.256 -0.356 18281 15776 1 20 . 1 1 18 18 LYS N N 18 116.630 116.630 118.881 -2.251 18281 15777 1 20 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.181 -0.041 18281 15778 1 20 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.548 -0.278 18281 15779 1 20 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.846 0.474 18281 15780 1 20 . 1 1 18 18 LYS H H 18 6.710 6.710 8.062 -1.352 18281 15781 1 20 . 1 1 19 19 LEU N N 19 118.930 118.930 120.333 -1.403 18281 15782 1 20 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.274 -0.434 18281 15783 1 20 . 1 1 19 19 LEU C C 19 178.380 178.380 178.183 0.197 18281 15784 1 20 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.836 0.594 18281 15785 1 20 . 1 1 19 19 LEU CB C 19 42.090 42.090 41.886 0.203 18281 15786 1 20 . 1 1 19 19 LEU H H 19 7.950 7.950 8.307 -0.357 18281 15787 1 20 . 1 1 20 20 PHE N N 20 118.660 118.660 121.003 -2.343 18281 15788 1 20 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.187 -0.337 18281 15789 1 20 . 1 1 20 20 PHE C C 20 177.680 177.680 177.088 0.592 18281 15790 1 20 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.075 0.805 18281 15791 1 20 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.404 0.016 18281 15792 1 20 . 1 1 20 20 PHE H H 20 9.040 9.040 8.409 0.631 18281 15793 1 20 . 1 1 21 21 LYS N N 21 118.430 118.430 119.796 -1.366 18281 15794 1 20 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.990 -0.220 18281 15795 1 20 . 1 1 21 21 LYS C C 21 176.400 176.400 178.811 -2.411 18281 15796 1 20 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.722 0.438 18281 15797 1 20 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.589 0.411 18281 15798 1 20 . 1 1 21 21 LYS H H 21 7.630 7.630 8.371 -0.741 18281 15799 1 20 . 1 1 22 22 ALA N N 22 118.710 118.710 120.901 -2.191 18281 15800 1 20 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.319 0.451 18281 15801 1 20 . 1 1 22 22 ALA C C 22 175.450 175.450 178.741 -3.291 18281 15802 1 20 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.477 1.063 18281 15803 1 20 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.680 1.520 18281 15804 1 20 . 1 1 22 22 ALA H H 22 7.390 7.390 7.460 -0.070 18281 15805 1 20 . 1 1 23 23 PHE N N 23 109.720 109.720 116.453 -6.733 18281 15806 1 20 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.227 0.013 18281 15807 1 20 . 1 1 23 23 PHE C C 23 174.130 174.130 174.833 -0.703 18281 15808 1 20 . 1 1 23 23 PHE CA C 23 58.320 58.320 59.908 -1.588 18281 15809 1 20 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.058 0.382 18281 15810 1 20 . 1 1 23 23 PHE H H 23 8.400 8.400 8.003 0.397 18281 15811 1 20 . 1 1 24 24 VAL N N 24 113.250 113.250 114.874 -1.624 18281 15812 1 20 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.497 -0.177 18281 15813 1 20 . 1 1 24 24 VAL C C 24 177.660 177.660 177.215 0.445 18281 15814 1 20 . 1 1 24 24 VAL CA C 24 63.500 63.500 62.640 0.860 18281 15815 1 20 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.371 -1.491 18281 15816 1 20 . 1 1 24 24 VAL H H 24 7.220 7.220 7.324 -0.104 18281 15817 1 20 . 1 1 25 25 LEU N N 25 116.250 116.250 122.071 -5.821 18281 15818 1 20 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.095 -0.205 18281 15819 1 20 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.375 0.535 18281 15820 1 20 . 1 1 25 25 LEU CB C 25 41.000 41.000 42.025 -1.025 18281 15821 1 20 . 1 1 25 25 LEU H H 25 7.180 7.180 8.114 -0.934 18281 15822 1 20 . 1 1 26 26 ASP N N 26 117.160 117.160 116.519 0.641 18281 15823 1 20 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.667 0.633 18281 15824 1 20 . 1 1 26 26 ASP C C 26 177.300 177.300 176.054 1.246 18281 15825 1 20 . 1 1 26 26 ASP CA C 26 53.170 53.170 53.901 -0.731 18281 15826 1 20 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.335 2.585 18281 15827 1 20 . 1 1 26 26 ASP H H 26 8.070 8.070 7.631 0.439 18281 15828 1 20 . 1 1 27 27 ALA N N 27 123.040 123.040 123.065 -0.025 18281 15829 1 20 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.706 0.054 18281 15830 1 20 . 1 1 27 27 ALA C C 27 178.900 178.900 178.701 0.199 18281 15831 1 20 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.897 1.143 18281 15832 1 20 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.476 0.954 18281 15833 1 20 . 1 1 27 27 ALA H H 27 6.360 6.360 7.028 -0.668 18281 15834 1 20 . 1 1 28 28 ASP N N 28 115.060 115.060 117.545 -2.485 18281 15835 1 20 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.235 -0.255 18281 15836 1 20 . 1 1 28 28 ASP C C 28 175.850 175.850 176.520 -0.670 18281 15837 1 20 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.698 -1.158 18281 15838 1 20 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.353 -0.713 18281 15839 1 20 . 1 1 28 28 ASP H H 28 8.290 8.290 8.554 -0.264 18281 15840 1 20 . 1 1 29 29 ASN N N 29 113.110 113.110 115.489 -2.379 18281 15841 1 20 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.618 0.112 18281 15842 1 20 . 1 1 29 29 ASN C C 29 176.430 176.430 176.684 -0.254 18281 15843 1 20 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.942 -1.332 18281 15844 1 20 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.224 1.036 18281 15845 1 20 . 1 1 29 29 ASN H H 29 7.360 7.360 7.588 -0.228 18281 15846 1 20 . 1 1 30 30 LEU N N 30 120.630 120.630 122.194 -1.564 18281 15847 1 20 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.739 0.281 18281 15848 1 20 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.423 0.377 18281 15849 1 20 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.397 1.383 18281 15850 1 20 . 1 1 30 30 LEU H H 30 8.320 8.320 8.515 -0.195 18281 15851 1 20 . 1 1 31 31 ILE N N 31 116.170 116.170 119.537 -3.367 18281 15852 1 20 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.572 0.078 18281 15853 1 20 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.361 -0.561 18281 15854 1 20 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.229 -1.319 18281 15855 1 20 . 1 1 31 31 ILE H H 31 8.140 8.140 7.534 0.606 18281 15856 1 20 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.226 0.294 18281 15857 1 20 . 1 1 32 32 PRO C C 32 177.680 177.680 177.523 0.157 18281 15858 1 20 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.513 1.007 18281 15859 1 20 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.042 0.478 18281 15860 1 20 . 1 1 33 33 LYS N N 33 112.410 112.410 118.391 -5.981 18281 15861 1 20 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.191 -0.041 18281 15862 1 20 . 1 1 33 33 LYS C C 33 178.220 178.220 177.909 0.311 18281 15863 1 20 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.311 -0.021 18281 15864 1 20 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.460 0.450 18281 15865 1 20 . 1 1 33 33 LYS H H 33 6.880 6.880 7.390 -0.510 18281 15866 1 20 . 1 1 34 34 ILE N N 34 112.260 112.260 117.289 -5.029 18281 15867 1 20 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.972 0.348 18281 15868 1 20 . 1 1 34 34 ILE C C 34 175.920 175.920 176.501 -0.581 18281 15869 1 20 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.489 -1.669 18281 15870 1 20 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.642 0.708 18281 15871 1 20 . 1 1 34 34 ILE H H 34 7.560 7.560 7.464 0.096 18281 15872 1 20 . 1 1 35 35 ALA N N 35 124.420 124.420 120.187 4.233 18281 15873 1 20 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.761 0.208 18281 15874 1 20 . 1 1 35 35 ALA CA C 35 50.360 50.360 49.892 0.468 18281 15875 1 20 . 1 1 35 35 ALA CB C 35 19.260 19.260 18.576 0.684 18281 15876 1 20 . 1 1 35 35 ALA H H 35 8.820 8.820 7.437 1.383 18281 15877 1 20 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.264 0.466 18281 15878 1 20 . 1 1 36 36 PRO C C 36 177.890 177.890 177.716 0.174 18281 15879 1 20 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.653 -0.413 18281 15880 1 20 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.404 -0.724 18281 15881 1 20 . 1 1 37 37 GLN N N 37 115.580 115.580 116.857 -1.277 18281 15882 1 20 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.092 0.158 18281 15883 1 20 . 1 1 37 37 GLN C C 37 177.740 177.740 177.008 0.732 18281 15884 1 20 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.858 -0.548 18281 15885 1 20 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.923 -0.403 18281 15886 1 20 . 1 1 37 37 GLN H H 37 8.660 8.660 8.491 0.169 18281 15887 1 20 . 1 1 38 38 ALA N N 38 123.250 123.250 120.186 3.064 18281 15888 1 20 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.356 0.034 18281 15889 1 20 . 1 1 38 38 ALA C C 38 177.850 177.850 177.328 0.522 18281 15890 1 20 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.533 -0.033 18281 15891 1 20 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.202 0.628 18281 15892 1 20 . 1 1 38 38 ALA H H 38 8.030 8.030 7.391 0.639 18281 15893 1 20 . 1 1 39 39 VAL N N 39 117.330 117.330 115.460 1.870 18281 15894 1 20 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.353 -0.223 18281 15895 1 20 . 1 1 39 39 VAL C C 39 172.750 172.750 174.755 -2.005 18281 15896 1 20 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.793 1.657 18281 15897 1 20 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.350 -1.720 18281 15898 1 20 . 1 1 39 39 VAL H H 39 7.660 7.660 7.188 0.472 18281 15899 1 20 . 1 1 40 40 LYS N N 40 125.270 125.270 126.323 -1.053 18281 15900 1 20 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.227 0.233 18281 15901 1 20 . 1 1 40 40 LYS C C 40 177.240 177.240 176.666 0.574 18281 15902 1 20 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.890 -1.440 18281 15903 1 20 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.199 0.801 18281 15904 1 20 . 1 1 40 40 LYS H H 40 8.910 8.910 8.977 -0.067 18281 15905 1 20 . 1 1 41 41 CYS N N 41 112.210 112.210 115.205 -2.995 18281 15906 1 20 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.415 0.145 18281 15907 1 20 . 1 1 41 41 CYS C C 41 170.900 170.900 172.468 -1.568 18281 15908 1 20 . 1 1 41 41 CYS CA C 41 57.020 57.020 59.639 -2.619 18281 15909 1 20 . 1 1 41 41 CYS CB C 41 29.800 29.800 30.239 -0.439 18281 15910 1 20 . 1 1 41 41 CYS H H 41 7.680 7.680 7.690 -0.010 18281 15911 1 20 . 1 1 42 42 ALA N N 42 125.620 125.620 127.475 -1.855 18281 15912 1 20 . 1 1 42 42 ALA HA H 42 5.220 5.220 5.040 0.180 18281 15913 1 20 . 1 1 42 42 ALA C C 42 175.690 175.690 176.499 -0.809 18281 15914 1 20 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.050 -0.070 18281 15915 1 20 . 1 1 42 42 ALA CB C 42 22.000 22.000 20.242 1.758 18281 15916 1 20 . 1 1 42 42 ALA H H 42 8.700 8.700 8.616 0.084 18281 15917 1 20 . 1 1 43 43 GLU N N 43 120.730 120.730 122.318 -1.588 18281 15918 1 20 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.779 -0.119 18281 15919 1 20 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.335 0.035 18281 15920 1 20 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.520 0.600 18281 15921 1 20 . 1 1 43 43 GLU H H 43 8.810 8.810 8.568 0.242 18281 15922 1 20 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.581 -0.541 18281 15923 1 20 . 1 1 44 44 ILE C C 44 176.190 176.190 176.351 -0.161 18281 15924 1 20 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.711 1.280 18281 15925 1 20 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.649 -0.869 18281 15926 1 20 . 1 1 45 45 LEU N N 45 129.030 129.030 128.492 0.538 18281 15927 1 20 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.164 0.286 18281 15928 1 20 . 1 1 45 45 LEU C C 45 177.270 177.270 177.087 0.183 18281 15929 1 20 . 1 1 45 45 LEU CA C 45 56.010 56.010 57.191 -1.181 18281 15930 1 20 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.672 -0.192 18281 15931 1 20 . 1 1 45 45 LEU H H 45 9.090 9.090 8.872 0.218 18281 15932 1 20 . 1 1 46 46 GLU N N 46 116.640 116.640 113.917 2.723 18281 15933 1 20 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.490 0.120 18281 15934 1 20 . 1 1 46 46 GLU C C 46 174.840 174.840 175.957 -1.117 18281 15935 1 20 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.600 0.010 18281 15936 1 20 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.150 0.420 18281 15937 1 20 . 1 1 46 46 GLU H H 46 7.700 7.700 7.496 0.204 18281 15938 1 20 . 1 1 47 47 GLY N N 47 110.230 110.230 109.865 0.365 18281 15939 1 20 . 1 1 47 47 GLY C C 47 173.630 173.630 173.801 -0.171 18281 15940 1 20 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.815 -1.135 18281 15941 1 20 . 1 1 47 47 GLY H H 47 8.620 8.620 8.782 -0.162 18281 15942 1 20 . 1 1 48 48 ASP N N 48 115.220 115.220 120.862 -5.642 18281 15943 1 20 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.364 0.406 18281 15944 1 20 . 1 1 48 48 ASP C C 48 177.340 177.340 176.015 1.325 18281 15945 1 20 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.828 -1.907 18281 15946 1 20 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.260 2.420 18281 15947 1 20 . 1 1 48 48 ASP H H 48 7.960 7.960 8.447 -0.487 18281 15948 1 20 . 1 1 49 49 GLY N N 49 110.900 110.900 103.508 7.392 18281 15949 1 20 . 1 1 49 49 GLY C C 49 174.750 174.750 173.720 1.030 18281 15950 1 20 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.334 -0.024 18281 15951 1 20 . 1 1 49 49 GLY H H 49 8.750 8.750 8.577 0.173 18281 15952 1 20 . 1 1 50 50 GLY N N 50 107.020 107.020 107.388 -0.368 18281 15953 1 20 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.943 0.657 18281 15954 1 20 . 1 1 50 50 GLY H H 50 8.300 8.300 8.119 0.181 18281 15955 1 20 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.357 -0.397 18281 15956 1 20 . 1 1 51 51 PRO C C 51 176.780 176.780 176.728 0.052 18281 15957 1 20 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.236 1.764 18281 15958 1 20 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.944 -0.074 18281 15959 1 20 . 1 1 52 52 GLY N N 52 114.320 114.320 114.938 -0.618 18281 15960 1 20 . 1 1 52 52 GLY C C 52 174.170 174.170 174.407 -0.237 18281 15961 1 20 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.373 -0.693 18281 15962 1 20 . 1 1 52 52 GLY H H 52 9.240 9.240 8.995 0.245 18281 15963 1 20 . 1 1 53 53 THR N N 53 118.900 118.900 116.239 2.661 18281 15964 1 20 . 1 1 53 53 THR HA H 53 4.660 4.660 4.560 0.100 18281 15965 1 20 . 1 1 53 53 THR C C 53 173.510 173.510 174.159 -0.649 18281 15966 1 20 . 1 1 53 53 THR CA C 53 64.580 64.580 64.133 0.447 18281 15967 1 20 . 1 1 53 53 THR CB C 53 70.070 70.070 70.058 0.012 18281 15968 1 20 . 1 1 53 53 THR H H 53 7.910 7.910 7.420 0.490 18281 15969 1 20 . 1 1 54 54 ILE N N 54 124.830 124.830 126.487 -1.657 18281 15970 1 20 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.451 0.859 18281 15971 1 20 . 1 1 54 54 ILE C C 54 175.260 175.260 174.818 0.442 18281 15972 1 20 . 1 1 54 54 ILE CA C 54 59.870 59.870 60.512 -0.642 18281 15973 1 20 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.742 -0.292 18281 15974 1 20 . 1 1 54 54 ILE H H 54 8.550 8.550 8.785 -0.235 18281 15975 1 20 . 1 1 55 55 LYS N N 55 126.970 126.970 125.805 1.165 18281 15976 1 20 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.186 0.114 18281 15977 1 20 . 1 1 55 55 LYS C C 55 173.950 173.950 175.315 -1.365 18281 15978 1 20 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.529 -0.699 18281 15979 1 20 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.228 0.501 18281 15980 1 20 . 1 1 55 55 LYS H H 55 9.400 9.400 8.838 0.562 18281 15981 1 20 . 1 1 56 56 LYS N N 56 124.220 124.220 124.738 -0.518 18281 15982 1 20 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.949 0.331 18281 15983 1 20 . 1 1 56 56 LYS C C 56 175.230 175.230 174.489 0.741 18281 15984 1 20 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.624 -0.834 18281 15985 1 20 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.168 -0.108 18281 15986 1 20 . 1 1 56 56 LYS H H 56 9.360 9.360 9.148 0.212 18281 15987 1 20 . 1 1 57 57 ILE N N 57 132.380 132.380 128.311 4.069 18281 15988 1 20 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.579 0.061 18281 15989 1 20 . 1 1 57 57 ILE C C 57 174.840 174.840 174.814 0.026 18281 15990 1 20 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.297 0.183 18281 15991 1 20 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.465 -2.195 18281 15992 1 20 . 1 1 57 57 ILE H H 57 9.240 9.240 9.296 -0.056 18281 15993 1 20 . 1 1 58 58 THR N N 58 122.310 122.310 122.927 -0.617 18281 15994 1 20 . 1 1 58 58 THR HA H 58 5.180 5.180 5.163 0.017 18281 15995 1 20 . 1 1 58 58 THR C C 58 174.260 174.260 173.649 0.611 18281 15996 1 20 . 1 1 58 58 THR CA C 58 61.720 61.720 61.545 0.175 18281 15997 1 20 . 1 1 58 58 THR CB C 58 70.640 70.640 70.142 0.498 18281 15998 1 20 . 1 1 58 58 THR H H 58 8.720 8.720 8.419 0.301 18281 15999 1 20 . 1 1 59 59 PHE N N 59 124.570 124.570 124.934 -0.364 18281 16000 1 20 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.956 0.064 18281 16001 1 20 . 1 1 59 59 PHE C C 59 174.510 174.510 173.736 0.774 18281 16002 1 20 . 1 1 59 59 PHE CA C 59 56.450 56.450 55.903 0.547 18281 16003 1 20 . 1 1 59 59 PHE CB C 59 41.010 41.010 41.293 -0.283 18281 16004 1 20 . 1 1 59 59 PHE H H 59 8.570 8.570 8.268 0.302 18281 16005 1 20 . 1 1 60 60 GLY N N 60 104.600 104.600 112.408 -7.808 18281 16006 1 20 . 1 1 60 60 GLY C C 60 173.500 173.500 174.303 -0.803 18281 16007 1 20 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.669 0.161 18281 16008 1 20 . 1 1 60 60 GLY H H 60 7.800 7.800 8.057 -0.257 18281 16009 1 20 . 1 1 61 61 GLU N N 61 119.400 119.400 123.875 -4.475 18281 16010 1 20 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.192 -0.082 18281 16011 1 20 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.893 -1.093 18281 16012 1 20 . 1 1 61 61 GLU CB C 61 30.940 30.940 29.843 1.097 18281 16013 1 20 . 1 1 61 61 GLU H H 61 8.290 8.290 8.925 -0.635 18281 16014 1 20 . 1 1 62 62 GLY N N 62 110.940 110.940 105.016 5.924 18281 16015 1 20 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.573 1.627 18281 16016 1 20 . 1 1 62 62 GLY H H 62 8.870 8.870 8.312 0.558 18281 16017 1 20 . 1 1 66 66 GLY C C 66 176.930 176.930 171.469 5.461 18281 16018 1 20 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.603 -0.523 18281 16019 1 20 . 1 1 67 67 TYR N N 67 115.490 115.490 120.024 -4.534 18281 16020 1 20 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.643 -0.063 18281 16021 1 20 . 1 1 67 67 TYR C C 67 175.470 175.470 173.435 2.035 18281 16022 1 20 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.846 -0.927 18281 16023 1 20 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.294 0.426 18281 16024 1 20 . 1 1 67 67 TYR H H 67 8.110 8.110 7.927 0.183 18281 16025 1 20 . 1 1 68 68 VAL N N 68 111.980 111.980 121.672 -9.692 18281 16026 1 20 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.752 0.268 18281 16027 1 20 . 1 1 68 68 VAL C C 68 175.480 175.480 175.160 0.320 18281 16028 1 20 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.419 -0.919 18281 16029 1 20 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.705 0.755 18281 16030 1 20 . 1 1 68 68 VAL H H 68 8.840 8.840 8.661 0.179 18281 16031 1 20 . 1 1 69 69 LYS N N 69 118.430 118.430 123.007 -4.577 18281 16032 1 20 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.147 0.553 18281 16033 1 20 . 1 1 69 69 LYS C C 69 175.740 175.740 175.147 0.593 18281 16034 1 20 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.432 0.938 18281 16035 1 20 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.730 0.850 18281 16036 1 20 . 1 1 69 69 LYS H H 69 8.590 8.590 9.157 -0.567 18281 16037 1 20 . 1 1 70 70 HIS N N 70 122.590 122.590 121.889 0.701 18281 16038 1 20 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.351 0.839 18281 16039 1 20 . 1 1 70 70 HIS C C 70 174.590 174.590 173.986 0.604 18281 16040 1 20 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.726 -3.886 18281 16041 1 20 . 1 1 70 70 HIS CB C 70 36.010 36.010 32.860 3.150 18281 16042 1 20 . 1 1 70 70 HIS H H 70 9.160 9.160 8.605 0.554 18281 16043 1 20 . 1 1 71 71 LYS N N 71 122.760 122.760 124.116 -1.356 18281 16044 1 20 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.540 -0.050 18281 16045 1 20 . 1 1 71 71 LYS C C 71 175.500 175.500 174.987 0.513 18281 16046 1 20 . 1 1 71 71 LYS CA C 71 54.040 54.040 54.014 0.026 18281 16047 1 20 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.204 -0.334 18281 16048 1 20 . 1 1 71 71 LYS H H 71 9.460 9.460 9.428 0.032 18281 16049 1 20 . 1 1 72 72 ILE N N 72 127.870 127.870 125.955 1.915 18281 16050 1 20 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.269 -0.389 18281 16051 1 20 . 1 1 72 72 ILE C C 72 175.430 175.430 175.786 -0.356 18281 16052 1 20 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.676 1.724 18281 16053 1 20 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.382 -1.342 18281 16054 1 20 . 1 1 72 72 ILE H H 72 9.320 9.320 8.824 0.496 18281 16055 1 20 . 1 1 73 73 HIS N N 73 127.690 127.690 125.749 1.941 18281 16056 1 20 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.675 0.445 18281 16057 1 20 . 1 1 73 73 HIS C C 73 176.240 176.240 174.768 1.472 18281 16058 1 20 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.979 -1.009 18281 16059 1 20 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.760 0.180 18281 16060 1 20 . 1 1 73 73 HIS H H 73 9.080 9.080 8.306 0.774 18281 16061 1 20 . 1 1 74 74 SER N N 74 110.900 110.900 111.725 -0.825 18281 16062 1 20 . 1 1 74 74 SER HA H 74 4.760 4.760 4.636 0.124 18281 16063 1 20 . 1 1 74 74 SER C C 74 172.620 172.620 172.335 0.285 18281 16064 1 20 . 1 1 74 74 SER CA C 74 57.880 57.880 57.954 -0.074 18281 16065 1 20 . 1 1 74 74 SER CB C 74 66.790 66.790 64.513 2.277 18281 16066 1 20 . 1 1 74 74 SER H H 74 8.180 8.180 7.582 0.598 18281 16067 1 20 . 1 1 75 75 ILE N N 75 123.780 123.780 119.662 4.118 18281 16068 1 20 . 1 1 75 75 ILE HA H 75 4.680 4.680 5.004 -0.324 18281 16069 1 20 . 1 1 75 75 ILE C C 75 174.010 174.010 174.334 -0.324 18281 16070 1 20 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.609 2.531 18281 16071 1 20 . 1 1 75 75 ILE CB C 75 41.310 41.310 42.003 -0.693 18281 16072 1 20 . 1 1 75 75 ILE H H 75 8.730 8.730 8.250 0.480 18281 16073 1 20 . 1 1 76 76 ASP N N 76 127.280 127.280 126.415 0.865 18281 16074 1 20 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.068 0.012 18281 16075 1 20 . 1 1 76 76 ASP C C 76 176.680 176.680 176.002 0.678 18281 16076 1 20 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.099 -0.969 18281 16077 1 20 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.515 0.035 18281 16078 1 20 . 1 1 76 76 ASP H H 76 9.110 9.110 9.113 -0.003 18281 16079 1 20 . 1 1 77 77 LYS N N 77 122.400 122.400 123.159 -0.759 18281 16080 1 20 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.740 0.240 18281 16081 1 20 . 1 1 77 77 LYS C C 77 175.980 175.980 177.574 -1.594 18281 16082 1 20 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.775 -2.355 18281 16083 1 20 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.479 0.301 18281 16084 1 20 . 1 1 77 77 LYS H H 77 8.890 8.890 8.644 0.246 18281 16085 1 20 . 1 1 78 78 VAL N N 78 119.300 119.300 117.070 2.230 18281 16086 1 20 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.561 0.099 18281 16087 1 20 . 1 1 78 78 VAL C C 78 176.290 176.290 176.004 0.286 18281 16088 1 20 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.883 -0.463 18281 16089 1 20 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.792 0.308 18281 16090 1 20 . 1 1 78 78 VAL H H 78 8.110 8.110 8.051 0.059 18281 16091 1 20 . 1 1 79 79 ASN N N 79 114.400 114.400 114.277 0.123 18281 16092 1 20 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.622 -0.142 18281 16093 1 20 . 1 1 79 79 ASN C C 79 173.670 173.670 174.434 -0.764 18281 16094 1 20 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.742 -0.202 18281 16095 1 20 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.734 1.356 18281 16096 1 20 . 1 1 79 79 ASN H H 79 7.700 7.700 7.976 -0.277 18281 16097 1 20 . 1 1 80 80 HIS N N 80 115.530 115.530 114.287 1.243 18281 16098 1 20 . 1 1 80 80 HIS C C 80 173.450 173.450 173.413 0.037 18281 16099 1 20 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.797 -0.267 18281 16100 1 20 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.711 0.489 18281 16101 1 20 . 1 1 80 80 HIS H H 80 6.980 6.980 6.755 0.225 18281 16102 1 20 . 1 1 81 81 THR N N 81 109.600 109.600 113.248 -3.648 18281 16103 1 20 . 1 1 81 81 THR HA H 81 5.730 5.730 4.888 0.842 18281 16104 1 20 . 1 1 81 81 THR C C 81 172.980 172.980 172.726 0.254 18281 16105 1 20 . 1 1 81 81 THR CA C 81 60.190 60.190 62.206 -2.016 18281 16106 1 20 . 1 1 81 81 THR CB C 81 71.740 71.740 71.795 -0.055 18281 16107 1 20 . 1 1 81 81 THR H H 81 7.990 7.990 7.811 0.179 18281 16108 1 20 . 1 1 82 82 TYR N N 82 125.000 125.000 127.990 -2.990 18281 16109 1 20 . 1 1 82 82 TYR HA H 82 5.700 5.700 4.933 0.767 18281 16110 1 20 . 1 1 82 82 TYR C C 82 173.600 173.600 173.106 0.494 18281 16111 1 20 . 1 1 82 82 TYR CA C 82 55.330 55.330 57.276 -1.946 18281 16112 1 20 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.085 0.725 18281 16113 1 20 . 1 1 82 82 TYR H H 82 9.300 9.300 9.341 -0.041 18281 16114 1 20 . 1 1 83 83 SER N N 83 121.820 121.820 121.866 -0.046 18281 16115 1 20 . 1 1 83 83 SER HA H 83 5.670 5.670 4.887 0.783 18281 16116 1 20 . 1 1 83 83 SER C C 83 173.490 173.490 172.847 0.643 18281 16117 1 20 . 1 1 83 83 SER CA C 83 56.420 56.420 56.577 -0.157 18281 16118 1 20 . 1 1 83 83 SER CB C 83 65.520 65.520 65.207 0.313 18281 16119 1 20 . 1 1 83 83 SER H H 83 9.090 9.090 7.923 1.167 18281 16120 1 20 . 1 1 84 84 TYR N N 84 122.970 122.970 121.999 0.971 18281 16121 1 20 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.217 0.013 18281 16122 1 20 . 1 1 84 84 TYR C C 84 172.530 172.530 173.232 -0.702 18281 16123 1 20 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.435 -0.015 18281 16124 1 20 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.333 -0.383 18281 16125 1 20 . 1 1 84 84 TYR H H 84 8.790 8.790 8.794 -0.004 18281 16126 1 20 . 1 1 85 85 SER N N 85 114.200 114.200 113.648 0.552 18281 16127 1 20 . 1 1 85 85 SER HA H 85 5.700 5.700 5.229 0.471 18281 16128 1 20 . 1 1 85 85 SER C C 85 173.180 173.180 172.745 0.435 18281 16129 1 20 . 1 1 85 85 SER CA C 85 57.510 57.510 57.614 -0.104 18281 16130 1 20 . 1 1 85 85 SER CB C 85 65.940 65.940 67.315 -1.375 18281 16131 1 20 . 1 1 85 85 SER H H 85 9.350 9.350 9.534 -0.184 18281 16132 1 20 . 1 1 86 86 LEU N N 86 128.880 128.880 124.151 4.729 18281 16133 1 20 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.876 0.354 18281 16134 1 20 . 1 1 86 86 LEU C C 86 176.230 176.230 176.864 -0.634 18281 16135 1 20 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.221 1.369 18281 16136 1 20 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.721 0.429 18281 16137 1 20 . 1 1 86 86 LEU H H 86 9.900 9.900 9.067 0.833 18281 16138 1 20 . 1 1 87 87 ILE N N 87 115.900 115.900 126.562 -10.662 18281 16139 1 20 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.074 0.856 18281 16140 1 20 . 1 1 87 87 ILE C C 87 176.080 176.080 176.316 -0.236 18281 16141 1 20 . 1 1 87 87 ILE CA C 87 61.270 61.270 61.974 -0.704 18281 16142 1 20 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.134 1.696 18281 16143 1 20 . 1 1 87 87 ILE H H 87 8.180 8.180 8.945 -0.765 18281 16144 1 20 . 1 1 88 88 GLU N N 88 121.920 121.920 115.204 6.716 18281 16145 1 20 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.501 0.009 18281 16146 1 20 . 1 1 88 88 GLU C C 88 174.020 174.020 174.588 -0.568 18281 16147 1 20 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.260 1.780 18281 16148 1 20 . 1 1 88 88 GLU CB C 88 34.970 34.970 34.327 0.643 18281 16149 1 20 . 1 1 88 88 GLU H H 88 7.650 7.650 7.478 0.172 18281 16150 1 20 . 1 1 89 89 GLY N N 89 111.650 111.650 107.286 4.364 18281 16151 1 20 . 1 1 89 89 GLY C C 89 173.800 173.800 173.249 0.551 18281 16152 1 20 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.602 0.348 18281 16153 1 20 . 1 1 89 89 GLY H H 89 8.830 8.830 8.233 0.597 18281 16154 1 20 . 1 1 90 90 ASP N N 90 119.650 119.650 120.708 -1.058 18281 16155 1 20 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.282 0.078 18281 16156 1 20 . 1 1 90 90 ASP C C 90 176.570 176.570 177.699 -1.129 18281 16157 1 20 . 1 1 90 90 ASP CA C 90 57.040 57.040 57.710 -0.670 18281 16158 1 20 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.743 0.537 18281 16159 1 20 . 1 1 90 90 ASP H H 90 8.430 8.430 8.690 -0.260 18281 16160 1 20 . 1 1 91 91 ALA N N 91 118.530 118.530 119.632 -1.102 18281 16161 1 20 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.194 0.046 18281 16162 1 20 . 1 1 91 91 ALA C C 91 177.740 177.740 178.991 -1.251 18281 16163 1 20 . 1 1 91 91 ALA CA C 91 53.210 53.210 54.278 -1.068 18281 16164 1 20 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.571 0.739 18281 16165 1 20 . 1 1 91 91 ALA H H 91 7.810 7.810 8.097 -0.287 18281 16166 1 20 . 1 1 92 92 LEU N N 92 117.330 117.330 118.130 -0.800 18281 16167 1 20 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.218 0.242 18281 16168 1 20 . 1 1 92 92 LEU C C 92 176.210 176.210 177.122 -0.912 18281 16169 1 20 . 1 1 92 92 LEU CA C 92 54.020 54.020 56.306 -2.286 18281 16170 1 20 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.514 -2.304 18281 16171 1 20 . 1 1 92 92 LEU H H 92 7.600 7.600 7.327 0.273 18281 16172 1 20 . 1 1 93 93 SER N N 93 115.780 115.780 111.244 4.536 18281 16173 1 20 . 1 1 93 93 SER HA H 93 4.620 4.620 4.070 0.550 18281 16174 1 20 . 1 1 93 93 SER C C 93 173.970 173.970 175.009 -1.039 18281 16175 1 20 . 1 1 93 93 SER CA C 93 57.730 57.730 59.666 -1.936 18281 16176 1 20 . 1 1 93 93 SER CB C 93 64.920 64.920 63.515 1.405 18281 16177 1 20 . 1 1 93 93 SER H H 93 7.910 7.910 8.038 -0.128 18281 16178 1 20 . 1 1 94 94 GLU N N 94 119.400 119.400 119.331 0.069 18281 16179 1 20 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.077 0.083 18281 16180 1 20 . 1 1 94 94 GLU C C 94 176.570 176.570 176.550 0.020 18281 16181 1 20 . 1 1 94 94 GLU CA C 94 58.700 58.700 58.058 0.642 18281 16182 1 20 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.637 -0.427 18281 16183 1 20 . 1 1 94 94 GLU H H 94 8.850 8.850 8.790 0.060 18281 16184 1 20 . 1 1 95 95 ASN N N 95 113.460 113.460 115.771 -2.311 18281 16185 1 20 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.724 0.076 18281 16186 1 20 . 1 1 95 95 ASN C C 95 174.070 174.070 174.941 -0.871 18281 16187 1 20 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.719 -0.599 18281 16188 1 20 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.328 0.022 18281 16189 1 20 . 1 1 95 95 ASN H H 95 8.290 8.290 8.034 0.256 18281 16190 1 20 . 1 1 96 96 ILE N N 96 120.610 120.610 120.037 0.573 18281 16191 1 20 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.163 0.027 18281 16192 1 20 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.542 -0.612 18281 16193 1 20 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.348 -0.478 18281 16194 1 20 . 1 1 96 96 ILE H H 96 7.770 7.770 7.736 0.034 18281 16195 1 20 . 1 1 97 97 GLU N N 97 126.670 126.670 124.398 2.272 18281 16196 1 20 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.524 0.266 18281 16197 1 20 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.147 1.053 18281 16198 1 20 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.144 1.806 18281 16199 1 20 . 1 1 97 97 GLU H H 97 8.460 8.460 8.743 -0.283 18281 16200 1 20 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.319 0.391 18281 16201 1 20 . 1 1 98 98 LYS C C 98 173.650 173.650 176.363 -2.713 18281 16202 1 20 . 1 1 98 98 LYS CA C 98 55.970 55.970 56.826 -0.856 18281 16203 1 20 . 1 1 98 98 LYS CB C 98 34.800 34.800 32.738 2.062 18281 16204 1 20 . 1 1 99 99 ILE N N 99 120.290 120.290 119.986 0.304 18281 16205 1 20 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.569 0.221 18281 16206 1 20 . 1 1 99 99 ILE C C 99 174.690 174.690 174.533 0.157 18281 16207 1 20 . 1 1 99 99 ILE CA C 99 60.300 60.300 60.301 -0.001 18281 16208 1 20 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.205 0.345 18281 16209 1 20 . 1 1 99 99 ILE H H 99 7.720 7.720 8.060 -0.340 18281 16210 1 20 . 1 1 100 100 ASP N N 100 126.970 126.970 125.778 1.192 18281 16211 1 20 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.967 0.133 18281 16212 1 20 . 1 1 100 100 ASP C C 100 174.490 174.490 174.094 0.396 18281 16213 1 20 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.298 0.332 18281 16214 1 20 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.784 0.066 18281 16215 1 20 . 1 1 100 100 ASP H H 100 9.220 9.220 9.003 0.217 18281 16216 1 20 . 1 1 101 101 TYR N N 101 120.640 120.640 123.773 -3.133 18281 16217 1 20 . 1 1 101 101 TYR HA H 101 5.280 5.280 5.103 0.177 18281 16218 1 20 . 1 1 101 101 TYR C C 101 175.740 175.740 175.138 0.602 18281 16219 1 20 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.463 0.517 18281 16220 1 20 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.715 -0.075 18281 16221 1 20 . 1 1 101 101 TYR H H 101 9.140 9.140 8.853 0.287 18281 16222 1 20 . 1 1 102 102 GLU N N 102 122.040 122.040 121.473 0.567 18281 16223 1 20 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.824 0.306 18281 16224 1 20 . 1 1 102 102 GLU C C 102 175.360 175.360 175.569 -0.209 18281 16225 1 20 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.335 0.535 18281 16226 1 20 . 1 1 102 102 GLU CB C 102 33.070 33.070 34.216 -1.146 18281 16227 1 20 . 1 1 102 102 GLU H H 102 8.670 8.670 9.388 -0.718 18281 16228 1 20 . 1 1 103 103 THR N N 103 125.840 125.840 120.084 5.756 18281 16229 1 20 . 1 1 103 103 THR HA H 103 5.580 5.580 5.147 0.433 18281 16230 1 20 . 1 1 103 103 THR C C 103 172.780 172.780 173.082 -0.302 18281 16231 1 20 . 1 1 103 103 THR CA C 103 62.150 62.150 61.909 0.241 18281 16232 1 20 . 1 1 103 103 THR CB C 103 71.750 71.750 71.911 -0.161 18281 16233 1 20 . 1 1 103 103 THR H H 103 9.550 9.550 9.251 0.299 18281 16234 1 20 . 1 1 104 104 LYS N N 104 126.990 126.990 126.518 0.472 18281 16235 1 20 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.843 0.397 18281 16236 1 20 . 1 1 104 104 LYS C C 104 174.300 174.300 173.874 0.426 18281 16237 1 20 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.402 -0.072 18281 16238 1 20 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.351 -0.411 18281 16239 1 20 . 1 1 104 104 LYS H H 104 9.430 9.430 9.048 0.382 18281 16240 1 20 . 1 1 105 105 LEU N N 105 124.700 124.700 126.823 -2.123 18281 16241 1 20 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.670 0.540 18281 16242 1 20 . 1 1 105 105 LEU C C 105 175.780 175.780 176.035 -0.255 18281 16243 1 20 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.480 1.140 18281 16244 1 20 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.146 0.804 18281 16245 1 20 . 1 1 105 105 LEU H H 105 8.410 8.410 8.407 0.003 18281 16246 1 20 . 1 1 106 106 VAL N N 106 123.290 123.290 123.618 -0.328 18281 16247 1 20 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.360 0.070 18281 16248 1 20 . 1 1 106 106 VAL C C 106 175.560 175.560 174.792 0.768 18281 16249 1 20 . 1 1 106 106 VAL CA C 106 60.470 60.470 61.197 -0.727 18281 16250 1 20 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.417 -0.397 18281 16251 1 20 . 1 1 106 106 VAL H H 106 9.180 9.180 9.140 0.040 18281 16252 1 20 . 1 1 107 107 SER N N 107 121.800 121.800 121.536 0.264 18281 16253 1 20 . 1 1 107 107 SER HA H 107 4.660 4.660 4.699 -0.039 18281 16254 1 20 . 1 1 107 107 SER C C 107 173.600 173.600 173.683 -0.083 18281 16255 1 20 . 1 1 107 107 SER CA C 107 59.860 59.860 56.530 3.330 18281 16256 1 20 . 1 1 107 107 SER CB C 107 63.250 63.250 64.527 -1.277 18281 16257 1 20 . 1 1 107 107 SER H H 107 8.910 8.910 8.284 0.626 18281 16258 1 20 . 1 1 108 108 ALA N N 108 129.210 129.210 123.581 5.629 18281 16259 1 20 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.744 -0.114 18281 16260 1 20 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.798 0.822 18281 16261 1 20 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.482 0.318 18281 16262 1 20 . 1 1 108 108 ALA H H 108 8.310 8.310 8.105 0.205 18281 16263 1 20 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.119 0.301 18281 16264 1 20 . 1 1 109 109 PRO CA C 109 63.700 63.700 63.635 0.065 18281 16265 1 20 . 1 1 109 109 PRO CB C 109 32.200 32.200 29.579 2.621 18281 16266 1 20 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.337 0.433 18281 16267 1 20 . 1 1 110 110 HIS C C 110 175.760 175.760 175.223 0.537 18281 16268 1 20 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.434 -1.044 18281 16269 1 20 . 1 1 110 110 HIS CB C 110 29.410 29.410 27.431 1.979 18281 16270 1 20 . 1 1 111 111 GLY N N 111 108.720 108.720 106.223 2.497 18281 16271 1 20 . 1 1 111 111 GLY C C 111 174.390 174.390 174.060 0.330 18281 16272 1 20 . 1 1 111 111 GLY CA C 111 45.130 45.130 44.845 0.285 18281 16273 1 20 . 1 1 111 111 GLY H H 111 7.730 7.730 7.793 -0.063 18281 16274 1 20 . 1 1 112 112 GLY N N 112 107.670 107.670 109.748 -2.078 18281 16275 1 20 . 1 1 112 112 GLY C C 112 174.150 174.150 173.513 0.637 18281 16276 1 20 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.766 -0.346 18281 16277 1 20 . 1 1 112 112 GLY H H 112 7.600 7.600 7.648 -0.048 18281 16278 1 20 . 1 1 113 113 THR N N 113 119.830 119.830 118.083 1.747 18281 16279 1 20 . 1 1 113 113 THR HA H 113 5.060 5.060 4.923 0.137 18281 16280 1 20 . 1 1 113 113 THR C C 113 173.250 173.250 173.194 0.056 18281 16281 1 20 . 1 1 113 113 THR CA C 113 62.990 62.990 61.721 1.269 18281 16282 1 20 . 1 1 113 113 THR CB C 113 72.270 72.270 70.767 1.503 18281 16283 1 20 . 1 1 113 113 THR H H 113 9.070 9.070 7.891 1.179 18281 16284 1 20 . 1 1 114 114 ILE N N 114 127.600 127.600 126.518 1.082 18281 16285 1 20 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.715 -0.205 18281 16286 1 20 . 1 1 114 114 ILE C C 114 174.370 174.370 174.450 -0.080 18281 16287 1 20 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.382 0.778 18281 16288 1 20 . 1 1 114 114 ILE CB C 114 39.970 39.970 40.124 -0.154 18281 16289 1 20 . 1 1 114 114 ILE H H 114 9.490 9.490 9.351 0.139 18281 16290 1 20 . 1 1 115 115 ILE N N 115 129.200 129.200 128.280 0.920 18281 16291 1 20 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.681 -0.181 18281 16292 1 20 . 1 1 115 115 ILE C C 115 175.000 175.000 175.076 -0.076 18281 16293 1 20 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.249 1.151 18281 16294 1 20 . 1 1 115 115 ILE CB C 115 38.000 38.000 39.025 -1.024 18281 16295 1 20 . 1 1 115 115 ILE H H 115 9.220 9.220 9.369 -0.149 18281 16296 1 20 . 1 1 116 116 LYS N N 116 127.550 127.550 129.162 -1.612 18281 16297 1 20 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.407 -0.237 18281 16298 1 20 . 1 1 116 116 LYS C C 116 176.300 176.300 175.684 0.616 18281 16299 1 20 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.883 0.487 18281 16300 1 20 . 1 1 116 116 LYS CB C 116 34.580 34.580 34.748 -0.168 18281 16301 1 20 . 1 1 116 116 LYS H H 116 9.130 9.130 8.710 0.420 18281 16302 1 20 . 1 1 117 117 THR N N 117 120.940 120.940 121.689 -0.749 18281 16303 1 20 . 1 1 117 117 THR HA H 117 5.730 5.730 5.334 0.396 18281 16304 1 20 . 1 1 117 117 THR C C 117 174.620 174.620 173.923 0.697 18281 16305 1 20 . 1 1 117 117 THR CA C 117 60.990 60.990 61.282 -0.292 18281 16306 1 20 . 1 1 117 117 THR CB C 117 71.750 71.750 71.222 0.528 18281 16307 1 20 . 1 1 117 117 THR H H 117 9.020 9.020 9.093 -0.073 18281 16308 1 20 . 1 1 118 118 THR N N 118 125.750 125.750 124.047 1.703 18281 16309 1 20 . 1 1 118 118 THR HA H 118 5.170 5.170 5.274 -0.104 18281 16310 1 20 . 1 1 118 118 THR C C 118 173.760 173.760 173.653 0.107 18281 16311 1 20 . 1 1 118 118 THR CA C 118 61.800 61.800 61.872 -0.072 18281 16312 1 20 . 1 1 118 118 THR CB C 118 70.720 70.720 70.902 -0.182 18281 16313 1 20 . 1 1 118 118 THR H H 118 9.500 9.500 9.189 0.311 18281 16314 1 20 . 1 1 119 119 SER N N 119 122.250 122.250 121.509 0.741 18281 16315 1 20 . 1 1 119 119 SER HA H 119 5.270 5.270 5.176 0.094 18281 16316 1 20 . 1 1 119 119 SER C C 119 172.960 172.960 172.521 0.439 18281 16317 1 20 . 1 1 119 119 SER CA C 119 55.860 55.860 57.600 -1.740 18281 16318 1 20 . 1 1 119 119 SER CB C 119 66.720 66.720 65.986 0.735 18281 16319 1 20 . 1 1 119 119 SER H H 119 9.410 9.410 9.145 0.265 18281 16320 1 20 . 1 1 120 120 LYS N N 120 124.120 124.120 124.853 -0.733 18281 16321 1 20 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.761 0.479 18281 16322 1 20 . 1 1 120 120 LYS C C 120 174.780 174.780 173.902 0.878 18281 16323 1 20 . 1 1 120 120 LYS CA C 120 54.830 54.830 54.884 -0.054 18281 16324 1 20 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.763 -0.603 18281 16325 1 20 . 1 1 120 120 LYS H H 120 9.150 9.150 8.652 0.498 18281 16326 1 20 . 1 1 121 121 TYR N N 121 126.500 126.500 121.003 5.497 18281 16327 1 20 . 1 1 121 121 TYR CA C 121 58.000 58.000 55.103 2.897 18281 16328 1 20 . 1 1 121 121 TYR CB C 121 40.200 40.200 41.253 -1.053 18281 16329 1 20 . 1 1 121 121 TYR H H 121 9.800 9.800 8.137 1.663 18281 16330 1 20 . 1 1 122 122 HIS C C 122 174.670 174.670 175.122 -0.452 18281 16331 1 20 . 1 1 123 123 THR N N 123 125.750 125.750 112.179 13.571 18281 16332 1 20 . 1 1 123 123 THR HA H 123 5.400 5.400 4.639 0.761 18281 16333 1 20 . 1 1 123 123 THR C C 123 174.460 174.460 174.457 0.003 18281 16334 1 20 . 1 1 123 123 THR CA C 123 60.230 60.230 60.494 -0.264 18281 16335 1 20 . 1 1 123 123 THR CB C 123 71.260 71.260 70.673 0.587 18281 16336 1 20 . 1 1 123 123 THR H H 123 8.920 8.920 8.348 0.572 18281 16337 1 20 . 1 1 124 124 LYS N N 124 121.170 121.170 125.882 -4.712 18281 16338 1 20 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.202 0.558 18281 16339 1 20 . 1 1 124 124 LYS C C 124 176.450 176.450 176.969 -0.519 18281 16340 1 20 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.477 -2.967 18281 16341 1 20 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.783 1.117 18281 16342 1 20 . 1 1 124 124 LYS H H 124 8.590 8.590 8.522 0.068 18281 16343 1 20 . 1 1 125 125 GLY N N 125 110.070 110.070 105.484 4.586 18281 16344 1 20 . 1 1 125 125 GLY C C 125 173.620 173.620 174.531 -0.911 18281 16345 1 20 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.598 -0.328 18281 16346 1 20 . 1 1 125 125 GLY H H 125 8.390 8.390 8.514 -0.124 18281 16347 1 20 . 1 1 126 126 ASP N N 126 120.070 120.070 119.757 0.313 18281 16348 1 20 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.792 -0.122 18281 16349 1 20 . 1 1 126 126 ASP C C 126 175.580 175.580 176.236 -0.656 18281 16350 1 20 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.935 0.355 18281 16351 1 20 . 1 1 126 126 ASP CB C 126 40.360 40.360 41.154 -0.794 18281 16352 1 20 . 1 1 126 126 ASP H H 126 8.440 8.440 8.397 0.043 18281 16353 1 20 . 1 1 127 127 VAL N N 127 119.620 119.620 121.841 -2.221 18281 16354 1 20 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.919 0.321 18281 16355 1 20 . 1 1 127 127 VAL C C 127 174.610 174.610 175.257 -0.647 18281 16356 1 20 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.104 -1.874 18281 16357 1 20 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.608 1.642 18281 16358 1 20 . 1 1 127 127 VAL H H 127 7.620 7.620 7.789 -0.169 18281 16359 1 20 . 1 1 128 128 GLU N N 128 125.030 125.030 127.491 -2.461 18281 16360 1 20 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.832 -0.702 18281 16361 1 20 . 1 1 128 128 GLU C C 128 175.680 175.680 175.330 0.350 18281 16362 1 20 . 1 1 128 128 GLU CA C 128 55.540 55.540 55.195 0.345 18281 16363 1 20 . 1 1 128 128 GLU CB C 128 30.790 30.790 31.252 -0.462 18281 16364 1 20 . 1 1 128 128 GLU H H 128 8.330 8.330 8.307 0.023 18281 16365 1 20 . 1 1 129 129 ILE N N 129 124.070 124.070 120.137 3.933 18281 16366 1 20 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.549 -0.589 18281 16367 1 20 . 1 1 129 129 ILE C C 129 175.960 175.960 174.790 1.170 18281 16368 1 20 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.650 -0.300 18281 16369 1 20 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.731 -4.051 18281 16370 1 20 . 1 1 129 129 ILE H H 129 7.380 7.380 8.414 -1.034 18281 16371 1 20 . 1 1 130 130 LYS N N 130 127.800 127.800 122.642 5.158 18281 16372 1 20 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.618 -0.338 18281 16373 1 20 . 1 1 130 130 LYS C C 130 177.660 177.660 176.378 1.282 18281 16374 1 20 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.315 0.535 18281 16375 1 20 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.403 -0.593 18281 16376 1 20 . 1 1 130 130 LYS H H 130 8.790 8.790 8.726 0.064 18281 16377 1 20 . 1 1 131 131 GLU N N 131 125.060 125.060 125.846 -0.786 18281 16378 1 20 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.819 -0.009 18281 16379 1 20 . 1 1 131 131 GLU C C 131 178.630 178.630 178.102 0.528 18281 16380 1 20 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.286 -0.776 18281 16381 1 20 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.579 -0.279 18281 16382 1 20 . 1 1 131 131 GLU H H 131 8.880 8.880 9.119 -0.239 18281 16383 1 20 . 1 1 132 132 GLU N N 132 117.220 117.220 116.898 0.322 18281 16384 1 20 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.991 -0.011 18281 16385 1 20 . 1 1 132 132 GLU C C 132 178.630 178.630 179.064 -0.434 18281 16386 1 20 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.251 0.359 18281 16387 1 20 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.148 -0.168 18281 16388 1 20 . 1 1 132 132 GLU H H 132 9.200 9.200 8.893 0.307 18281 16389 1 20 . 1 1 133 133 HIS N N 133 119.810 119.810 119.072 0.738 18281 16390 1 20 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.329 0.141 18281 16391 1 20 . 1 1 133 133 HIS C C 133 178.430 178.430 177.924 0.506 18281 16392 1 20 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.083 1.047 18281 16393 1 20 . 1 1 133 133 HIS CB C 133 31.320 31.320 30.033 1.287 18281 16394 1 20 . 1 1 133 133 HIS H H 133 7.500 7.500 7.464 0.036 18281 16395 1 20 . 1 1 134 134 VAL N N 134 120.370 120.370 119.914 0.456 18281 16396 1 20 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.514 0.136 18281 16397 1 20 . 1 1 134 134 VAL C C 134 179.170 179.170 177.151 2.019 18281 16398 1 20 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.552 -1.372 18281 16399 1 20 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.581 0.129 18281 16400 1 20 . 1 1 134 134 VAL H H 134 7.290 7.290 7.893 -0.603 18281 16401 1 20 . 1 1 135 135 LYS N N 135 121.310 121.310 120.013 1.297 18281 16402 1 20 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.855 0.105 18281 16403 1 20 . 1 1 135 135 LYS C C 135 178.310 178.310 178.369 -0.059 18281 16404 1 20 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.719 -0.389 18281 16405 1 20 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.313 -0.133 18281 16406 1 20 . 1 1 135 135 LYS H H 135 8.310 8.310 8.295 0.015 18281 16407 1 20 . 1 1 136 136 ALA N N 136 121.150 121.150 120.365 0.785 18281 16408 1 20 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.091 0.139 18281 16409 1 20 . 1 1 136 136 ALA C C 136 180.930 180.930 179.493 1.437 18281 16410 1 20 . 1 1 136 136 ALA CA C 136 55.020 55.020 54.969 0.051 18281 16411 1 20 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.247 -0.497 18281 16412 1 20 . 1 1 136 136 ALA H H 136 7.950 7.950 7.473 0.477 18281 16413 1 20 . 1 1 137 137 GLY N N 137 105.640 105.640 106.243 -0.603 18281 16414 1 20 . 1 1 137 137 GLY C C 137 177.000 177.000 176.229 0.771 18281 16415 1 20 . 1 1 137 137 GLY CA C 137 47.160 47.160 46.889 0.271 18281 16416 1 20 . 1 1 137 137 GLY H H 137 7.930 7.930 7.754 0.176 18281 16417 1 20 . 1 1 138 138 LYS N N 138 124.210 124.210 122.083 2.127 18281 16418 1 20 . 1 1 138 138 LYS HA H 138 4.230 4.230 3.951 0.279 18281 16419 1 20 . 1 1 138 138 LYS C C 138 178.860 178.860 178.899 -0.039 18281 16420 1 20 . 1 1 138 138 LYS CA C 138 59.790 59.790 60.242 -0.452 18281 16421 1 20 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.360 0.310 18281 16422 1 20 . 1 1 138 138 LYS H H 138 7.960 7.960 7.741 0.219 18281 16423 1 20 . 1 1 139 139 GLU N N 139 119.720 119.720 118.764 0.956 18281 16424 1 20 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.773 0.367 18281 16425 1 20 . 1 1 139 139 GLU C C 139 179.710 179.710 178.109 1.601 18281 16426 1 20 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.325 -0.145 18281 16427 1 20 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.313 -0.013 18281 16428 1 20 . 1 1 139 139 GLU H H 139 8.370 8.370 7.953 0.417 18281 16429 1 20 . 1 1 140 140 LYS N N 140 120.270 120.270 120.528 -0.258 18281 16430 1 20 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.956 0.154 18281 16431 1 20 . 1 1 140 140 LYS C C 140 179.210 179.210 178.541 0.669 18281 16432 1 20 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.304 0.306 18281 16433 1 20 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.533 -0.153 18281 16434 1 20 . 1 1 140 140 LYS H H 140 8.140 8.140 7.775 0.365 18281 16435 1 20 . 1 1 141 141 ALA N N 141 121.910 121.910 120.988 0.922 18281 16436 1 20 . 1 1 141 141 ALA HA H 141 4.040 4.040 3.993 0.047 18281 16437 1 20 . 1 1 141 141 ALA C C 141 179.530 179.530 179.615 -0.085 18281 16438 1 20 . 1 1 141 141 ALA CA C 141 55.020 55.020 55.049 -0.029 18281 16439 1 20 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.217 0.163 18281 16440 1 20 . 1 1 141 141 ALA H H 141 7.730 7.730 7.938 -0.208 18281 16441 1 20 . 1 1 142 142 ALA N N 142 120.440 120.440 120.131 0.309 18281 16442 1 20 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.164 -0.284 18281 16443 1 20 . 1 1 142 142 ALA C C 142 180.080 180.080 179.603 0.477 18281 16444 1 20 . 1 1 142 142 ALA CA C 142 54.900 54.900 54.878 0.022 18281 16445 1 20 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.102 0.128 18281 16446 1 20 . 1 1 142 142 ALA H H 142 8.280 8.280 7.880 0.400 18281 16447 1 20 . 1 1 143 143 HIS N N 143 118.280 118.280 118.056 0.224 18281 16448 1 20 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.259 0.091 18281 16449 1 20 . 1 1 143 143 HIS C C 143 177.350 177.350 177.911 -0.561 18281 16450 1 20 . 1 1 143 143 HIS CA C 143 59.430 59.430 58.254 1.176 18281 16451 1 20 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.865 0.885 18281 16452 1 20 . 1 1 143 143 HIS H H 143 8.030 8.030 7.572 0.458 18281 16453 1 20 . 1 1 144 144 LEU N N 144 118.820 118.820 120.091 -1.271 18281 16454 1 20 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.936 -0.026 18281 16455 1 20 . 1 1 144 144 LEU C C 144 179.040 179.040 178.625 0.415 18281 16456 1 20 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.669 0.411 18281 16457 1 20 . 1 1 144 144 LEU CB C 144 40.960 40.960 40.871 0.089 18281 16458 1 20 . 1 1 144 144 LEU H H 144 7.700 7.700 7.823 -0.123 18281 16459 1 20 . 1 1 145 145 PHE N N 145 116.920 116.920 118.281 -1.361 18281 16460 1 20 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.035 -0.035 18281 16461 1 20 . 1 1 145 145 PHE C C 145 177.900 177.900 177.795 0.105 18281 16462 1 20 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.534 -0.384 18281 16463 1 20 . 1 1 145 145 PHE CB C 145 37.750 37.750 38.053 -0.303 18281 16464 1 20 . 1 1 145 145 PHE H H 145 8.100 8.100 7.877 0.223 18281 16465 1 20 . 1 1 146 146 LYS N N 146 119.710 119.710 120.056 -0.346 18281 16466 1 20 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.281 -0.151 18281 16467 1 20 . 1 1 146 146 LYS C C 146 177.750 177.750 178.815 -1.065 18281 16468 1 20 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.507 -0.606 18281 16469 1 20 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.364 -0.084 18281 16470 1 20 . 1 1 146 146 LYS H H 146 8.040 8.040 7.429 0.611 18281 16471 1 20 . 1 1 147 147 LEU N N 147 118.970 118.970 119.234 -0.264 18281 16472 1 20 . 1 1 147 147 LEU HA H 147 4.000 4.000 4.041 -0.041 18281 16473 1 20 . 1 1 147 147 LEU C C 147 180.460 180.460 179.176 1.284 18281 16474 1 20 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.486 -0.016 18281 16475 1 20 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.761 0.639 18281 16476 1 20 . 1 1 147 147 LEU H H 147 7.960 7.960 7.268 0.692 18281 16477 1 20 . 1 1 148 148 ILE N N 148 121.410 121.410 119.969 1.441 18281 16478 1 20 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.530 0.010 18281 16479 1 20 . 1 1 148 148 ILE C C 148 177.030 177.030 178.261 -1.231 18281 16480 1 20 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.812 -0.412 18281 16481 1 20 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.582 0.108 18281 16482 1 20 . 1 1 148 148 ILE H H 148 8.200 8.200 7.848 0.352 18281 16483 1 20 . 1 1 149 149 GLU N N 149 120.450 120.450 119.039 1.411 18281 16484 1 20 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.076 -0.396 18281 16485 1 20 . 1 1 149 149 GLU C C 149 178.540 178.540 179.517 -0.977 18281 16486 1 20 . 1 1 149 149 GLU CA C 149 60.320 60.320 60.312 0.008 18281 16487 1 20 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.024 -0.195 18281 16488 1 20 . 1 1 149 149 GLU H H 149 8.680 8.680 7.908 0.772 18281 16489 1 20 . 1 1 150 150 GLY N N 150 104.450 104.450 107.226 -2.776 18281 16490 1 20 . 1 1 150 150 GLY C C 150 175.670 175.670 175.960 -0.290 18281 16491 1 20 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.791 0.459 18281 16492 1 20 . 1 1 150 150 GLY H H 150 8.180 8.180 7.979 0.201 18281 16493 1 20 . 1 1 151 151 TYR N N 151 122.120 122.120 123.797 -1.677 18281 16494 1 20 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.239 0.141 18281 16495 1 20 . 1 1 151 151 TYR C C 151 179.360 179.360 177.401 1.959 18281 16496 1 20 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.892 0.428 18281 16497 1 20 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.940 -2.550 18281 16498 1 20 . 1 1 151 151 TYR H H 151 7.910 7.910 8.163 -0.253 18281 16499 1 20 . 1 1 152 152 LEU N N 152 120.020 120.020 120.121 -0.101 18281 16500 1 20 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.247 -0.217 18281 16501 1 20 . 1 1 152 152 LEU C C 152 180.320 180.320 178.816 1.504 18281 16502 1 20 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.743 0.017 18281 16503 1 20 . 1 1 152 152 LEU CB C 152 41.000 41.000 42.205 -1.204 18281 16504 1 20 . 1 1 152 152 LEU H H 152 8.630 8.630 8.097 0.533 18281 16505 1 20 . 1 1 153 153 LYS N N 153 119.730 119.730 119.535 0.195 18281 16506 1 20 . 1 1 153 153 LYS HA H 153 3.970 3.970 3.974 -0.004 18281 16507 1 20 . 1 1 153 153 LYS C C 153 178.150 178.150 177.800 0.350 18281 16508 1 20 . 1 1 153 153 LYS CA C 153 59.400 59.400 59.128 0.272 18281 16509 1 20 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.610 -0.260 18281 16510 1 20 . 1 1 153 153 LYS H H 153 8.260 8.260 8.178 0.082 18281 16511 1 20 . 1 1 154 154 ASP N N 154 117.020 117.020 116.716 0.304 18281 16512 1 20 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.509 -0.509 18281 16513 1 20 . 1 1 154 154 ASP C C 154 175.660 175.660 176.049 -0.389 18281 16514 1 20 . 1 1 154 154 ASP CA C 154 55.030 55.030 54.661 0.369 18281 16515 1 20 . 1 1 154 154 ASP H H 154 7.560 7.560 7.637 -0.077 18281 16516 1 20 . 1 1 155 155 HIS N N 155 117.160 117.160 118.494 -1.334 18281 16517 1 20 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.185 0.715 18281 16518 1 20 . 1 1 155 155 HIS CA C 155 54.150 54.150 55.871 -1.721 18281 16519 1 20 . 1 1 155 155 HIS CB C 155 27.990 27.990 28.241 -0.251 18281 16520 1 20 . 1 1 155 155 HIS H H 155 7.430 7.430 7.869 -0.439 18281 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 139 3.351 0.035 3.363 18281 2 1 1 "Average Difference" HA 159 0.351 -0.135 0.326 18281 3 1 1 "Average Difference" C 131 0.973 0.005 0.977 18281 4 1 1 "Average Difference" CA 149 1.126 0.142 1.120 18281 5 1 1 "Average Difference" CB 135 1.040 -0.155 1.032 18281 6 1 1 "Average Difference" HN 139 0.501 -0.105 0.492 18281 7 1 2 "Average Difference" N 139 3.366 0.069 3.378 18281 8 1 2 "Average Difference" HA 159 0.370 -0.138 0.344 18281 9 1 2 "Average Difference" C 131 1.005 -0.066 1.007 18281 10 1 2 "Average Difference" CA 149 1.125 0.114 1.123 18281 11 1 2 "Average Difference" CB 135 1.122 -0.122 1.119 18281 12 1 2 "Average Difference" HN 139 0.519 -0.122 0.506 18281 13 1 3 "Average Difference" N 139 3.267 -0.067 3.278 18281 14 1 3 "Average Difference" HA 159 0.375 -0.156 0.342 18281 15 1 3 "Average Difference" C 131 1.013 -0.036 1.016 18281 16 1 3 "Average Difference" CA 149 1.115 0.084 1.115 18281 17 1 3 "Average Difference" CB 135 1.082 -0.134 1.077 18281 18 1 3 "Average Difference" HN 139 0.514 -0.131 0.499 18281 19 1 4 "Average Difference" N 139 3.369 0.142 3.378 18281 20 1 4 "Average Difference" HA 159 0.369 -0.156 0.335 18281 21 1 4 "Average Difference" C 131 1.011 -0.047 1.014 18281 22 1 4 "Average Difference" CA 149 1.113 0.128 1.109 18281 23 1 4 "Average Difference" CB 135 1.078 -0.235 1.056 18281 24 1 4 "Average Difference" HN 139 0.501 -0.135 0.484 18281 25 1 5 "Average Difference" N 139 3.212 0.006 3.224 18281 26 1 5 "Average Difference" HA 159 0.361 -0.141 0.333 18281 27 1 5 "Average Difference" C 131 1.046 -0.030 1.049 18281 28 1 5 "Average Difference" CA 149 1.129 0.094 1.129 18281 29 1 5 "Average Difference" CB 135 1.063 -0.152 1.056 18281 30 1 5 "Average Difference" HN 139 0.475 -0.122 0.461 18281 31 1 6 "Average Difference" N 139 3.357 0.154 3.365 18281 32 1 6 "Average Difference" HA 159 0.365 -0.147 0.336 18281 33 1 6 "Average Difference" C 131 0.953 -0.041 0.956 18281 34 1 6 "Average Difference" CA 149 1.083 0.096 1.083 18281 35 1 6 "Average Difference" CB 135 1.109 -0.190 1.097 18281 36 1 6 "Average Difference" HN 139 0.481 -0.115 0.469 18281 37 1 7 "Average Difference" N 139 3.459 0.037 3.471 18281 38 1 7 "Average Difference" HA 159 0.349 -0.145 0.319 18281 39 1 7 "Average Difference" C 131 0.981 0.007 0.985 18281 40 1 7 "Average Difference" CA 149 1.131 0.108 1.130 18281 41 1 7 "Average Difference" CB 135 1.069 -0.169 1.059 18281 42 1 7 "Average Difference" HN 139 0.467 -0.091 0.459 18281 43 1 8 "Average Difference" N 139 3.448 0.010 3.460 18281 44 1 8 "Average Difference" HA 159 0.355 -0.140 0.328 18281 45 1 8 "Average Difference" C 131 0.998 -0.040 1.001 18281 46 1 8 "Average Difference" CA 149 1.166 0.148 1.161 18281 47 1 8 "Average Difference" CB 135 1.070 -0.140 1.065 18281 48 1 8 "Average Difference" HN 139 0.470 -0.111 0.458 18281 49 1 9 "Average Difference" N 139 3.382 -0.014 3.394 18281 50 1 9 "Average Difference" HA 159 0.356 -0.117 0.337 18281 51 1 9 "Average Difference" C 131 1.062 -0.054 1.065 18281 52 1 9 "Average Difference" CA 149 1.218 0.063 1.221 18281 53 1 9 "Average Difference" CB 135 1.061 -0.154 1.054 18281 54 1 9 "Average Difference" HN 139 0.492 -0.133 0.475 18281 55 1 10 "Average Difference" N 139 3.446 0.127 3.456 18281 56 1 10 "Average Difference" HA 159 0.355 -0.143 0.326 18281 57 1 10 "Average Difference" C 131 1.066 -0.059 1.068 18281 58 1 10 "Average Difference" CA 149 1.152 0.087 1.153 18281 59 1 10 "Average Difference" CB 135 1.076 -0.169 1.067 18281 60 1 10 "Average Difference" HN 139 0.500 -0.136 0.483 18281 61 1 11 "Average Difference" N 139 3.422 0.048 3.434 18281 62 1 11 "Average Difference" HA 159 0.355 -0.137 0.328 18281 63 1 11 "Average Difference" C 131 0.984 -0.054 0.987 18281 64 1 11 "Average Difference" CA 149 1.102 0.101 1.101 18281 65 1 11 "Average Difference" CB 135 1.098 -0.172 1.089 18281 66 1 11 "Average Difference" HN 139 0.502 -0.133 0.486 18281 67 1 12 "Average Difference" N 139 3.242 0.261 3.243 18281 68 1 12 "Average Difference" HA 159 0.377 -0.162 0.341 18281 69 1 12 "Average Difference" C 131 1.014 -0.003 1.018 18281 70 1 12 "Average Difference" CA 149 1.062 0.154 1.055 18281 71 1 12 "Average Difference" CB 135 1.067 -0.178 1.056 18281 72 1 12 "Average Difference" HN 139 0.496 -0.131 0.480 18281 73 1 13 "Average Difference" N 139 3.604 0.176 3.612 18281 74 1 13 "Average Difference" HA 159 0.345 -0.140 0.316 18281 75 1 13 "Average Difference" C 131 0.927 -0.061 0.928 18281 76 1 13 "Average Difference" CA 149 1.055 0.087 1.055 18281 77 1 13 "Average Difference" CB 135 1.106 -0.212 1.089 18281 78 1 13 "Average Difference" HN 139 0.504 -0.141 0.485 18281 79 1 14 "Average Difference" N 139 3.477 0.219 3.483 18281 80 1 14 "Average Difference" HA 159 0.357 -0.163 0.319 18281 81 1 14 "Average Difference" C 131 1.000 -0.039 1.004 18281 82 1 14 "Average Difference" CA 149 1.125 0.128 1.122 18281 83 1 14 "Average Difference" CB 135 1.087 -0.161 1.078 18281 84 1 14 "Average Difference" HN 139 0.470 -0.103 0.460 18281 85 1 15 "Average Difference" N 139 3.266 0.234 3.270 18281 86 1 15 "Average Difference" HA 159 0.362 -0.163 0.325 18281 87 1 15 "Average Difference" C 131 0.987 -0.056 0.989 18281 88 1 15 "Average Difference" CA 149 1.031 0.130 1.026 18281 89 1 15 "Average Difference" CB 135 1.083 -0.163 1.074 18281 90 1 15 "Average Difference" HN 139 0.471 -0.111 0.459 18281 91 1 16 "Average Difference" N 139 3.314 0.080 3.325 18281 92 1 16 "Average Difference" HA 159 0.362 -0.146 0.333 18281 93 1 16 "Average Difference" C 131 1.007 -0.023 1.011 18281 94 1 16 "Average Difference" CA 149 1.105 0.132 1.100 18281 95 1 16 "Average Difference" CB 135 1.134 -0.144 1.129 18281 96 1 16 "Average Difference" HN 139 0.499 -0.119 0.486 18281 97 1 17 "Average Difference" N 139 3.386 0.022 3.399 18281 98 1 17 "Average Difference" HA 159 0.350 -0.127 0.327 18281 99 1 17 "Average Difference" C 131 1.033 -0.062 1.035 18281 100 1 17 "Average Difference" CA 149 1.132 0.102 1.132 18281 101 1 17 "Average Difference" CB 135 1.074 -0.180 1.063 18281 102 1 17 "Average Difference" HN 139 0.492 -0.131 0.476 18281 103 1 18 "Average Difference" N 139 3.504 0.120 3.515 18281 104 1 18 "Average Difference" HA 159 0.379 -0.143 0.352 18281 105 1 18 "Average Difference" C 131 0.973 -0.063 0.975 18281 106 1 18 "Average Difference" CA 149 1.177 0.056 1.179 18281 107 1 18 "Average Difference" CB 135 1.099 -0.142 1.093 18281 108 1 18 "Average Difference" HN 139 0.511 -0.151 0.490 18281 109 1 19 "Average Difference" N 139 3.432 0.046 3.444 18281 110 1 19 "Average Difference" HA 159 0.362 -0.160 0.326 18281 111 1 19 "Average Difference" C 131 0.958 -0.054 0.960 18281 112 1 19 "Average Difference" CA 149 1.130 0.114 1.128 18281 113 1 19 "Average Difference" CB 135 1.046 -0.197 1.032 18281 114 1 19 "Average Difference" HN 139 0.472 -0.134 0.454 18281 115 1 20 "Average Difference" N 139 3.312 0.173 3.319 18281 116 1 20 "Average Difference" HA 159 0.366 -0.140 0.339 18281 117 1 20 "Average Difference" C 131 1.003 -0.070 1.005 18281 118 1 20 "Average Difference" CA 149 1.117 0.121 1.114 18281 119 1 20 "Average Difference" CB 135 1.067 -0.181 1.055 18281 120 1 20 "Average Difference" HN 139 0.473 -0.129 0.457 18281 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 18281 _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 3 3 VAL N N 3 119.910 119.910 121.397 -1.487 18281 2 1 . 1 1 3 3 VAL HA H 3 4.920 4.920 4.239 0.681 18281 3 1 . 1 1 3 3 VAL CA C 3 61.020 61.020 61.473 -0.453 18281 4 1 . 1 1 3 3 VAL CB C 3 34.130 34.130 33.203 0.927 18281 5 1 . 1 1 3 3 VAL H H 3 7.630 7.630 7.817 -0.187 18281 6 1 . 1 1 4 4 TYR N N 4 119.930 119.930 124.838 -4.908 18281 7 1 . 1 1 4 4 TYR HA H 4 4.670 4.670 4.689 -0.019 18281 8 1 . 1 1 4 4 TYR C C 4 174.670 174.670 175.250 -0.580 18281 9 1 . 1 1 4 4 TYR CA C 4 57.470 57.470 56.934 0.536 18281 10 1 . 1 1 4 4 TYR CB C 4 41.270 41.270 40.679 0.591 18281 11 1 . 1 1 4 4 TYR H H 4 8.660 8.660 8.412 0.248 18281 12 1 . 1 1 5 5 THR N N 5 119.930 119.930 118.788 1.142 18281 13 1 . 1 1 5 5 THR HA H 5 5.290 5.290 4.691 0.599 18281 14 1 . 1 1 5 5 THR C C 5 173.180 173.180 173.355 -0.175 18281 15 1 . 1 1 5 5 THR CA C 5 61.780 61.780 61.856 -0.076 18281 16 1 . 1 1 5 5 THR CB C 5 70.360 70.360 69.800 0.560 18281 17 1 . 1 1 5 5 THR H H 5 8.230 8.230 8.164 0.066 18281 18 1 . 1 1 6 6 TYR N N 6 125.060 125.060 125.951 -0.891 18281 19 1 . 1 1 6 6 TYR HA H 6 5.290 5.290 4.797 0.493 18281 20 1 . 1 1 6 6 TYR C C 6 174.380 174.380 173.775 0.605 18281 21 1 . 1 1 6 6 TYR CA C 6 57.110 57.110 56.864 0.246 18281 22 1 . 1 1 6 6 TYR CB C 6 41.850 41.850 41.845 0.005 18281 23 1 . 1 1 6 6 TYR H H 6 9.210 9.210 8.530 0.679 18281 24 1 . 1 1 7 7 GLU N N 7 122.360 122.360 125.671 -3.311 18281 25 1 . 1 1 7 7 GLU HA H 7 5.360 5.360 4.842 0.518 18281 26 1 . 1 1 7 7 GLU C C 7 175.390 175.390 174.743 0.647 18281 27 1 . 1 1 7 7 GLU CA C 7 54.980 54.980 54.640 0.340 18281 28 1 . 1 1 7 7 GLU CB C 7 33.050 33.050 32.446 0.604 18281 29 1 . 1 1 7 7 GLU H H 7 8.830 8.830 8.347 0.483 18281 30 1 . 1 1 8 8 ASN N N 8 119.960 119.960 124.052 -4.092 18281 31 1 . 1 1 8 8 ASN HA H 8 5.100 5.100 5.047 0.053 18281 32 1 . 1 1 8 8 ASN CA C 8 52.620 52.620 52.250 0.370 18281 33 1 . 1 1 8 8 ASN CB C 8 43.210 43.210 41.747 1.463 18281 34 1 . 1 1 8 8 ASN H H 8 8.800 8.800 9.106 -0.306 18281 35 1 . 1 1 9 9 GLU N N 9 121.420 121.420 124.729 -3.309 18281 36 1 . 1 1 9 9 GLU HA H 9 5.600 5.600 4.869 0.731 18281 37 1 . 1 1 9 9 GLU C C 9 174.590 174.590 175.017 -0.427 18281 38 1 . 1 1 9 9 GLU CA C 9 54.770 54.770 55.469 -0.699 18281 39 1 . 1 1 9 9 GLU CB C 9 33.750 33.750 31.620 2.130 18281 40 1 . 1 1 9 9 GLU H H 9 8.330 8.330 8.721 -0.391 18281 41 1 . 1 1 10 10 PHE N N 10 121.240 121.240 125.405 -4.165 18281 42 1 . 1 1 10 10 PHE HA H 10 5.020 5.020 4.853 0.166 18281 43 1 . 1 1 10 10 PHE C C 10 173.880 173.880 173.386 0.494 18281 44 1 . 1 1 10 10 PHE CA C 10 55.550 55.550 57.251 -1.701 18281 45 1 . 1 1 10 10 PHE CB C 10 41.470 41.470 43.055 -1.585 18281 46 1 . 1 1 10 10 PHE H H 10 8.760 8.760 9.005 -0.245 18281 47 1 . 1 1 11 11 THR N N 11 113.110 113.110 117.567 -4.457 18281 48 1 . 1 1 11 11 THR HA H 11 5.170 5.170 4.940 0.230 18281 49 1 . 1 1 11 11 THR C C 11 173.530 173.530 173.477 0.053 18281 50 1 . 1 1 11 11 THR CA C 11 60.940 60.940 60.070 0.870 18281 51 1 . 1 1 11 11 THR CB C 11 71.260 71.260 70.476 0.784 18281 52 1 . 1 1 11 11 THR H H 11 8.470 8.470 7.518 0.952 18281 53 1 . 1 1 12 12 SER N N 12 115.490 115.490 118.191 -2.701 18281 54 1 . 1 1 12 12 SER C C 12 173.530 173.530 172.835 0.695 18281 55 1 . 1 1 12 12 SER CA C 12 56.460 56.460 56.965 -0.504 18281 56 1 . 1 1 12 12 SER CB C 12 66.320 66.320 66.486 -0.166 18281 57 1 . 1 1 12 12 SER H H 12 8.870 8.870 8.921 -0.051 18281 58 1 . 1 1 13 13 ASP N N 13 126.650 126.650 121.749 4.901 18281 59 1 . 1 1 13 13 ASP HA H 13 4.740 4.740 4.681 0.059 18281 60 1 . 1 1 13 13 ASP C C 13 174.520 174.520 176.401 -1.881 18281 61 1 . 1 1 13 13 ASP CA C 13 55.030 55.030 54.193 0.837 18281 62 1 . 1 1 13 13 ASP CB C 13 41.000 41.000 41.432 -0.432 18281 63 1 . 1 1 13 13 ASP H H 13 9.060 9.060 8.606 0.454 18281 64 1 . 1 1 14 14 ILE N N 14 123.580 123.580 116.121 7.459 18281 65 1 . 1 1 14 14 ILE HA H 14 4.350 4.350 3.946 0.404 18281 66 1 . 1 1 14 14 ILE CA C 14 57.390 57.390 61.181 -3.791 18281 67 1 . 1 1 14 14 ILE CB C 14 37.340 37.340 37.254 0.086 18281 68 1 . 1 1 14 14 ILE H H 14 8.470 8.470 8.239 0.231 18281 69 1 . 1 1 15 15 PRO HA H 15 4.440 4.440 4.599 -0.159 18281 70 1 . 1 1 15 15 PRO C C 15 177.130 177.130 177.762 -0.632 18281 71 1 . 1 1 15 15 PRO CA C 15 63.070 63.070 62.471 0.599 18281 72 1 . 1 1 15 15 PRO CB C 15 33.450 33.450 32.618 0.832 18281 73 1 . 1 1 16 16 ALA N N 16 126.780 126.780 126.179 0.601 18281 74 1 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.003 -0.002 18281 75 1 . 1 1 16 16 ALA CA C 16 57.100 57.100 57.109 -0.009 18281 76 1 . 1 1 16 16 ALA CB C 16 16.300 16.300 16.139 0.161 18281 77 1 . 1 1 16 16 ALA H H 16 8.570 8.570 8.489 0.081 18281 78 1 . 1 1 17 17 PRO HA H 17 3.900 3.900 4.389 -0.489 18281 79 1 . 1 1 17 17 PRO C C 17 179.610 179.610 179.153 0.457 18281 80 1 . 1 1 17 17 PRO CA C 17 66.010 66.010 65.457 0.553 18281 81 1 . 1 1 17 17 PRO CB C 17 30.900 30.900 31.280 -0.380 18281 82 1 . 1 1 18 18 LYS N N 18 116.630 116.630 118.813 -2.183 18281 83 1 . 1 1 18 18 LYS HA H 18 4.140 4.140 4.192 -0.052 18281 84 1 . 1 1 18 18 LYS CA C 18 59.270 59.270 59.510 -0.240 18281 85 1 . 1 1 18 18 LYS CB C 18 32.320 32.320 31.925 0.395 18281 86 1 . 1 1 18 18 LYS H H 18 6.710 6.710 7.945 -1.235 18281 87 1 . 1 1 19 19 LEU N N 19 118.930 118.930 120.479 -1.549 18281 88 1 . 1 1 19 19 LEU HA H 19 3.840 3.840 4.235 -0.395 18281 89 1 . 1 1 19 19 LEU C C 19 178.380 178.380 178.129 0.251 18281 90 1 . 1 1 19 19 LEU CA C 19 57.430 57.430 56.995 0.435 18281 91 1 . 1 1 19 19 LEU CB C 19 42.090 42.090 42.030 0.060 18281 92 1 . 1 1 19 19 LEU H H 19 7.950 7.950 8.253 -0.303 18281 93 1 . 1 1 20 20 PHE N N 20 118.660 118.660 120.472 -1.812 18281 94 1 . 1 1 20 20 PHE HA H 20 3.850 3.850 4.167 -0.316 18281 95 1 . 1 1 20 20 PHE C C 20 177.680 177.680 177.186 0.494 18281 96 1 . 1 1 20 20 PHE CA C 20 62.880 62.880 62.047 0.833 18281 97 1 . 1 1 20 20 PHE CB C 20 39.420 39.420 39.267 0.153 18281 98 1 . 1 1 20 20 PHE H H 20 9.040 9.040 8.534 0.506 18281 99 1 . 1 1 21 21 LYS N N 21 118.430 118.430 119.403 -0.973 18281 100 1 . 1 1 21 21 LYS HA H 21 3.770 3.770 3.981 -0.211 18281 101 1 . 1 1 21 21 LYS C C 21 176.400 176.400 178.534 -2.134 18281 102 1 . 1 1 21 21 LYS CA C 21 60.160 60.160 59.803 0.357 18281 103 1 . 1 1 21 21 LYS CB C 21 33.000 33.000 32.479 0.521 18281 104 1 . 1 1 21 21 LYS H H 21 7.630 7.630 8.201 -0.571 18281 105 1 . 1 1 22 22 ALA N N 22 118.710 118.710 120.287 -1.577 18281 106 1 . 1 1 22 22 ALA HA H 22 4.770 4.770 4.326 0.444 18281 107 1 . 1 1 22 22 ALA C C 22 175.450 175.450 178.515 -3.065 18281 108 1 . 1 1 22 22 ALA CA C 22 55.540 55.540 54.076 1.464 18281 109 1 . 1 1 22 22 ALA CB C 22 20.200 20.200 18.561 1.639 18281 110 1 . 1 1 22 22 ALA H H 22 7.390 7.390 7.503 -0.113 18281 111 1 . 1 1 23 23 PHE N N 23 109.720 109.720 117.017 -7.297 18281 112 1 . 1 1 23 23 PHE HA H 23 4.240 4.240 4.216 0.024 18281 113 1 . 1 1 23 23 PHE C C 23 174.130 174.130 175.113 -0.983 18281 114 1 . 1 1 23 23 PHE CA C 23 58.320 58.320 60.109 -1.789 18281 115 1 . 1 1 23 23 PHE CB C 23 40.440 40.440 40.250 0.190 18281 116 1 . 1 1 23 23 PHE H H 23 8.400 8.400 7.851 0.549 18281 117 1 . 1 1 24 24 VAL N N 24 113.250 113.250 115.116 -1.866 18281 118 1 . 1 1 24 24 VAL HA H 24 3.320 3.320 3.440 -0.120 18281 119 1 . 1 1 24 24 VAL C C 24 177.660 177.660 176.998 0.662 18281 120 1 . 1 1 24 24 VAL CA C 24 63.500 63.500 63.065 0.435 18281 121 1 . 1 1 24 24 VAL CB C 24 30.880 30.880 32.336 -1.456 18281 122 1 . 1 1 24 24 VAL H H 24 7.220 7.220 7.361 -0.141 18281 123 1 . 1 1 25 25 LEU N N 25 116.250 116.250 121.151 -4.901 18281 124 1 . 1 1 25 25 LEU HA H 25 3.890 3.890 4.044 -0.154 18281 125 1 . 1 1 25 25 LEU CA C 25 57.910 57.910 57.634 0.276 18281 126 1 . 1 1 25 25 LEU CB C 25 41.000 41.000 41.930 -0.930 18281 127 1 . 1 1 25 25 LEU H H 25 7.180 7.180 7.830 -0.650 18281 128 1 . 1 1 26 26 ASP N N 26 117.160 117.160 116.451 0.709 18281 129 1 . 1 1 26 26 ASP HA H 26 5.300 5.300 4.643 0.657 18281 130 1 . 1 1 26 26 ASP C C 26 177.300 177.300 176.404 0.896 18281 131 1 . 1 1 26 26 ASP CA C 26 53.170 53.170 54.198 -1.028 18281 132 1 . 1 1 26 26 ASP CB C 26 42.920 42.920 40.201 2.719 18281 133 1 . 1 1 26 26 ASP H H 26 8.070 8.070 7.698 0.371 18281 134 1 . 1 1 27 27 ALA N N 27 123.040 123.040 122.850 0.190 18281 135 1 . 1 1 27 27 ALA HA H 27 3.760 3.760 3.722 0.038 18281 136 1 . 1 1 27 27 ALA C C 27 178.900 178.900 178.727 0.173 18281 137 1 . 1 1 27 27 ALA CA C 27 56.040 56.040 54.824 1.216 18281 138 1 . 1 1 27 27 ALA CB C 27 19.430 19.430 18.411 1.019 18281 139 1 . 1 1 27 27 ALA H H 27 6.360 6.360 7.301 -0.941 18281 140 1 . 1 1 28 28 ASP N N 28 115.060 115.060 117.668 -2.608 18281 141 1 . 1 1 28 28 ASP HA H 28 3.980 3.980 4.218 -0.238 18281 142 1 . 1 1 28 28 ASP C C 28 175.850 175.850 176.727 -0.877 18281 143 1 . 1 1 28 28 ASP CA C 28 55.540 55.540 56.852 -1.312 18281 144 1 . 1 1 28 28 ASP CB C 28 39.640 39.640 40.364 -0.724 18281 145 1 . 1 1 28 28 ASP H H 28 8.290 8.290 8.318 -0.028 18281 146 1 . 1 1 29 29 ASN N N 29 113.110 113.110 115.392 -2.282 18281 147 1 . 1 1 29 29 ASN HA H 29 4.730 4.730 4.618 0.112 18281 148 1 . 1 1 29 29 ASN C C 29 176.430 176.430 176.869 -0.439 18281 149 1 . 1 1 29 29 ASN CA C 29 53.610 53.610 54.545 -0.935 18281 150 1 . 1 1 29 29 ASN CB C 29 40.260 40.260 39.209 1.051 18281 151 1 . 1 1 29 29 ASN H H 29 7.360 7.360 7.680 -0.320 18281 152 1 . 1 1 30 30 LEU N N 30 120.630 120.630 122.254 -1.624 18281 153 1 . 1 1 30 30 LEU HA H 30 4.020 4.020 3.877 0.143 18281 154 1 . 1 1 30 30 LEU CA C 30 57.800 57.800 57.401 0.399 18281 155 1 . 1 1 30 30 LEU CB C 30 42.780 42.780 41.499 1.281 18281 156 1 . 1 1 30 30 LEU H H 30 8.320 8.320 8.478 -0.158 18281 157 1 . 1 1 31 31 ILE N N 31 116.170 116.170 119.634 -3.464 18281 158 1 . 1 1 31 31 ILE HA H 31 3.650 3.650 3.591 0.059 18281 159 1 . 1 1 31 31 ILE CA C 31 66.800 66.800 67.393 -0.592 18281 160 1 . 1 1 31 31 ILE CB C 31 33.910 33.910 35.200 -1.290 18281 161 1 . 1 1 31 31 ILE H H 31 8.140 8.140 7.803 0.337 18281 162 1 . 1 1 32 32 PRO HA H 32 4.520 4.520 4.216 0.304 18281 163 1 . 1 1 32 32 PRO C C 32 177.680 177.680 177.687 -0.007 18281 164 1 . 1 1 32 32 PRO CA C 32 65.520 65.520 64.610 0.910 18281 165 1 . 1 1 32 32 PRO CB C 32 31.520 31.520 31.189 0.331 18281 166 1 . 1 1 33 33 LYS N N 33 112.410 112.410 118.031 -5.621 18281 167 1 . 1 1 33 33 LYS HA H 33 4.150 4.150 4.077 0.073 18281 168 1 . 1 1 33 33 LYS C C 33 178.220 178.220 178.519 -0.299 18281 169 1 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.332 -0.042 18281 170 1 . 1 1 33 33 LYS CB C 33 32.910 32.910 32.169 0.741 18281 171 1 . 1 1 33 33 LYS H H 33 6.880 6.880 7.347 -0.468 18281 172 1 . 1 1 34 34 ILE N N 34 112.260 112.260 117.176 -4.916 18281 173 1 . 1 1 34 34 ILE HA H 34 4.320 4.320 3.960 0.360 18281 174 1 . 1 1 34 34 ILE C C 34 175.920 175.920 176.403 -0.483 18281 175 1 . 1 1 34 34 ILE CA C 34 61.820 61.820 63.531 -1.711 18281 176 1 . 1 1 34 34 ILE CB C 34 39.350 39.350 38.491 0.859 18281 177 1 . 1 1 34 34 ILE H H 34 7.560 7.560 7.598 -0.038 18281 178 1 . 1 1 35 35 ALA N N 35 124.420 124.420 120.675 3.745 18281 179 1 . 1 1 35 35 ALA HA H 35 4.970 4.970 4.796 0.174 18281 180 1 . 1 1 35 35 ALA CA C 35 50.360 50.360 50.026 0.334 18281 181 1 . 1 1 35 35 ALA CB C 35 19.260 19.260 19.053 0.207 18281 182 1 . 1 1 35 35 ALA H H 35 8.820 8.820 7.338 1.482 18281 183 1 . 1 1 36 36 PRO HA H 36 4.730 4.730 4.318 0.412 18281 184 1 . 1 1 36 36 PRO C C 36 177.890 177.890 177.675 0.215 18281 185 1 . 1 1 36 36 PRO CA C 36 64.240 64.240 64.618 -0.378 18281 186 1 . 1 1 36 36 PRO CB C 36 31.680 31.680 32.358 -0.678 18281 187 1 . 1 1 37 37 GLN N N 37 115.580 115.580 117.225 -1.645 18281 188 1 . 1 1 37 37 GLN HA H 37 4.250 4.250 4.118 0.132 18281 189 1 . 1 1 37 37 GLN C C 37 177.740 177.740 177.017 0.723 18281 190 1 . 1 1 37 37 GLN CA C 37 57.310 57.310 57.865 -0.555 18281 191 1 . 1 1 37 37 GLN CB C 37 27.520 27.520 27.961 -0.441 18281 192 1 . 1 1 37 37 GLN H H 37 8.660 8.660 8.481 0.179 18281 193 1 . 1 1 38 38 ALA N N 38 123.250 123.250 120.017 3.233 18281 194 1 . 1 1 38 38 ALA HA H 38 4.390 4.390 4.385 0.005 18281 195 1 . 1 1 38 38 ALA C C 38 177.850 177.850 177.241 0.609 18281 196 1 . 1 1 38 38 ALA CA C 38 53.500 53.500 53.505 -0.005 18281 197 1 . 1 1 38 38 ALA CB C 38 19.830 19.830 19.444 0.386 18281 198 1 . 1 1 38 38 ALA H H 38 8.030 8.030 7.680 0.350 18281 199 1 . 1 1 39 39 VAL N N 39 117.330 117.330 113.130 4.200 18281 200 1 . 1 1 39 39 VAL HA H 39 4.130 4.130 4.286 -0.156 18281 201 1 . 1 1 39 39 VAL C C 39 172.750 172.750 174.847 -2.097 18281 202 1 . 1 1 39 39 VAL CA C 39 62.450 62.450 60.354 2.096 18281 203 1 . 1 1 39 39 VAL CB C 39 32.630 32.630 34.136 -1.506 18281 204 1 . 1 1 39 39 VAL H H 39 7.660 7.660 7.239 0.421 18281 205 1 . 1 1 40 40 LYS N N 40 125.270 125.270 124.461 0.809 18281 206 1 . 1 1 40 40 LYS HA H 40 4.460 4.460 4.187 0.273 18281 207 1 . 1 1 40 40 LYS C C 40 177.240 177.240 176.543 0.697 18281 208 1 . 1 1 40 40 LYS CA C 40 57.450 57.450 58.685 -1.235 18281 209 1 . 1 1 40 40 LYS CB C 40 34.000 34.000 33.348 0.652 18281 210 1 . 1 1 40 40 LYS H H 40 8.910 8.910 8.704 0.207 18281 211 1 . 1 1 41 41 CYS N N 41 112.210 112.210 115.340 -3.130 18281 212 1 . 1 1 41 41 CYS HA H 41 4.560 4.560 4.407 0.153 18281 213 1 . 1 1 41 41 CYS C C 41 170.900 170.900 172.535 -1.635 18281 214 1 . 1 1 41 41 CYS CA C 41 57.020 57.020 58.902 -1.882 18281 215 1 . 1 1 41 41 CYS CB C 41 29.800 29.800 29.936 -0.136 18281 216 1 . 1 1 41 41 CYS H H 41 7.680 7.680 7.727 -0.048 18281 217 1 . 1 1 42 42 ALA N N 42 125.620 125.620 128.086 -2.466 18281 218 1 . 1 1 42 42 ALA HA H 42 5.220 5.220 4.701 0.519 18281 219 1 . 1 1 42 42 ALA C C 42 175.690 175.690 176.204 -0.514 18281 220 1 . 1 1 42 42 ALA CA C 42 50.980 50.980 51.268 -0.288 18281 221 1 . 1 1 42 42 ALA CB C 42 22.000 22.000 19.660 2.340 18281 222 1 . 1 1 42 42 ALA H H 42 8.700 8.700 8.570 0.130 18281 223 1 . 1 1 43 43 GLU N N 43 120.730 120.730 123.767 -3.037 18281 224 1 . 1 1 43 43 GLU HA H 43 4.660 4.660 4.697 -0.037 18281 225 1 . 1 1 43 43 GLU CA C 43 54.370 54.370 54.607 -0.237 18281 226 1 . 1 1 43 43 GLU CB C 43 34.120 34.120 33.455 0.665 18281 227 1 . 1 1 43 43 GLU H H 43 8.810 8.810 8.455 0.355 18281 228 1 . 1 1 44 44 ILE HA H 44 4.040 4.040 4.499 -0.459 18281 229 1 . 1 1 44 44 ILE C C 44 176.190 176.190 176.115 0.075 18281 230 1 . 1 1 44 44 ILE CA C 44 61.990 61.990 60.613 1.377 18281 231 1 . 1 1 44 44 ILE CB C 44 37.780 37.780 38.492 -0.712 18281 232 1 . 1 1 45 45 LEU N N 45 129.030 129.030 128.923 0.107 18281 233 1 . 1 1 45 45 LEU HA H 45 4.450 4.450 4.210 0.240 18281 234 1 . 1 1 45 45 LEU C C 45 177.270 177.270 176.979 0.291 18281 235 1 . 1 1 45 45 LEU CA C 45 56.010 56.010 56.945 -0.935 18281 236 1 . 1 1 45 45 LEU CB C 45 42.480 42.480 42.782 -0.302 18281 237 1 . 1 1 45 45 LEU H H 45 9.090 9.090 8.871 0.219 18281 238 1 . 1 1 46 46 GLU N N 46 116.640 116.640 113.874 2.765 18281 239 1 . 1 1 46 46 GLU HA H 46 4.610 4.610 4.481 0.129 18281 240 1 . 1 1 46 46 GLU C C 46 174.840 174.840 175.704 -0.864 18281 241 1 . 1 1 46 46 GLU CA C 46 55.610 55.610 55.548 0.062 18281 242 1 . 1 1 46 46 GLU CB C 46 33.570 33.570 33.022 0.548 18281 243 1 . 1 1 46 46 GLU H H 46 7.700 7.700 7.512 0.188 18281 244 1 . 1 1 47 47 GLY N N 47 110.230 110.230 110.293 -0.063 18281 245 1 . 1 1 47 47 GLY C C 47 173.630 173.630 173.821 -0.191 18281 246 1 . 1 1 47 47 GLY CA C 47 44.680 44.680 45.713 -1.033 18281 247 1 . 1 1 47 47 GLY H H 47 8.620 8.620 8.765 -0.145 18281 248 1 . 1 1 48 48 ASP N N 48 115.220 115.220 120.862 -5.642 18281 249 1 . 1 1 48 48 ASP HA H 48 4.770 4.770 4.347 0.423 18281 250 1 . 1 1 48 48 ASP C C 48 177.340 177.340 175.972 1.368 18281 251 1 . 1 1 48 48 ASP CA C 48 52.920 52.920 54.808 -1.888 18281 252 1 . 1 1 48 48 ASP CB C 48 41.680 41.680 39.354 2.326 18281 253 1 . 1 1 48 48 ASP H H 48 7.960 7.960 8.432 -0.472 18281 254 1 . 1 1 49 49 GLY N N 49 110.900 110.900 102.719 8.181 18281 255 1 . 1 1 49 49 GLY C C 49 174.750 174.750 174.047 0.703 18281 256 1 . 1 1 49 49 GLY CA C 49 45.310 45.310 45.208 0.102 18281 257 1 . 1 1 49 49 GLY H H 49 8.750 8.750 8.478 0.272 18281 258 1 . 1 1 50 50 GLY N N 50 107.020 107.020 107.927 -0.907 18281 259 1 . 1 1 50 50 GLY CA C 50 43.600 43.600 42.842 0.758 18281 260 1 . 1 1 50 50 GLY H H 50 8.300 8.300 8.251 0.049 18281 261 1 . 1 1 51 51 PRO HA H 51 3.960 3.960 4.249 -0.289 18281 262 1 . 1 1 51 51 PRO C C 51 176.780 176.780 177.314 -0.534 18281 263 1 . 1 1 51 51 PRO CA C 51 65.000 65.000 63.372 1.628 18281 264 1 . 1 1 51 51 PRO CB C 51 31.870 31.870 31.729 0.141 18281 265 1 . 1 1 52 52 GLY N N 52 114.320 114.320 114.306 0.014 18281 266 1 . 1 1 52 52 GLY C C 52 174.170 174.170 174.255 -0.085 18281 267 1 . 1 1 52 52 GLY CA C 52 44.680 44.680 45.559 -0.879 18281 268 1 . 1 1 52 52 GLY H H 52 9.240 9.240 8.859 0.381 18281 269 1 . 1 1 53 53 THR N N 53 118.900 118.900 116.108 2.792 18281 270 1 . 1 1 53 53 THR HA H 53 4.660 4.660 4.577 0.083 18281 271 1 . 1 1 53 53 THR C C 53 173.510 173.510 174.111 -0.601 18281 272 1 . 1 1 53 53 THR CA C 53 64.580 64.580 63.513 1.067 18281 273 1 . 1 1 53 53 THR CB C 53 70.070 70.070 70.063 0.007 18281 274 1 . 1 1 53 53 THR H H 53 7.910 7.910 7.412 0.498 18281 275 1 . 1 1 54 54 ILE N N 54 124.830 124.830 125.904 -1.074 18281 276 1 . 1 1 54 54 ILE HA H 54 5.310 5.310 4.614 0.696 18281 277 1 . 1 1 54 54 ILE C C 54 175.260 175.260 174.883 0.377 18281 278 1 . 1 1 54 54 ILE CA C 54 59.870 59.870 59.892 -0.022 18281 279 1 . 1 1 54 54 ILE CB C 54 39.450 39.450 39.240 0.210 18281 280 1 . 1 1 54 54 ILE H H 54 8.550 8.550 8.597 -0.047 18281 281 1 . 1 1 55 55 LYS N N 55 126.970 126.970 126.110 0.860 18281 282 1 . 1 1 55 55 LYS HA H 55 5.300 5.300 5.204 0.096 18281 283 1 . 1 1 55 55 LYS C C 55 173.950 173.950 175.359 -1.409 18281 284 1 . 1 1 55 55 LYS CA C 55 53.830 53.830 54.469 -0.639 18281 285 1 . 1 1 55 55 LYS CB C 55 36.730 36.730 36.108 0.622 18281 286 1 . 1 1 55 55 LYS H H 55 9.400 9.400 9.118 0.282 18281 287 1 . 1 1 56 56 LYS N N 56 124.220 124.220 124.371 -0.151 18281 288 1 . 1 1 56 56 LYS HA H 56 5.280 5.280 4.809 0.471 18281 289 1 . 1 1 56 56 LYS C C 56 175.230 175.230 174.420 0.810 18281 290 1 . 1 1 56 56 LYS CA C 56 54.790 54.790 55.637 -0.847 18281 291 1 . 1 1 56 56 LYS CB C 56 36.060 36.060 36.024 0.036 18281 292 1 . 1 1 56 56 LYS H H 56 9.360 9.360 9.087 0.273 18281 293 1 . 1 1 57 57 ILE N N 57 132.380 132.380 127.811 4.569 18281 294 1 . 1 1 57 57 ILE HA H 57 4.640 4.640 4.451 0.189 18281 295 1 . 1 1 57 57 ILE C C 57 174.840 174.840 174.795 0.045 18281 296 1 . 1 1 57 57 ILE CA C 57 60.480 60.480 60.056 0.424 18281 297 1 . 1 1 57 57 ILE CB C 57 39.270 39.270 41.156 -1.886 18281 298 1 . 1 1 57 57 ILE H H 57 9.240 9.240 9.158 0.082 18281 299 1 . 1 1 58 58 THR N N 58 122.310 122.310 121.386 0.924 18281 300 1 . 1 1 58 58 THR HA H 58 5.180 5.180 4.812 0.368 18281 301 1 . 1 1 58 58 THR C C 58 174.260 174.260 173.373 0.887 18281 302 1 . 1 1 58 58 THR CA C 58 61.720 61.720 61.466 0.254 18281 303 1 . 1 1 58 58 THR CB C 58 70.640 70.640 70.334 0.306 18281 304 1 . 1 1 58 58 THR H H 58 8.720 8.720 8.273 0.447 18281 305 1 . 1 1 59 59 PHE N N 59 124.570 124.570 125.205 -0.635 18281 306 1 . 1 1 59 59 PHE HA H 59 5.020 5.020 4.904 0.116 18281 307 1 . 1 1 59 59 PHE C C 59 174.510 174.510 175.916 -1.406 18281 308 1 . 1 1 59 59 PHE CA C 59 56.450 56.450 57.085 -0.635 18281 309 1 . 1 1 59 59 PHE CB C 59 41.010 41.010 40.776 0.234 18281 310 1 . 1 1 59 59 PHE H H 59 8.570 8.570 8.635 -0.065 18281 311 1 . 1 1 60 60 GLY N N 60 104.600 104.600 111.692 -7.092 18281 312 1 . 1 1 60 60 GLY C C 60 173.500 173.500 174.014 -0.514 18281 313 1 . 1 1 60 60 GLY CA C 60 44.830 44.830 44.722 0.108 18281 314 1 . 1 1 60 60 GLY H H 60 7.800 7.800 8.464 -0.664 18281 315 1 . 1 1 61 61 GLU N N 61 119.400 119.400 121.300 -1.900 18281 316 1 . 1 1 61 61 GLU HA H 61 4.110 4.110 4.221 -0.111 18281 317 1 . 1 1 61 61 GLU CA C 61 56.800 56.800 57.204 -0.404 18281 318 1 . 1 1 61 61 GLU CB C 61 30.940 30.940 30.271 0.669 18281 319 1 . 1 1 61 61 GLU H H 61 8.290 8.290 8.499 -0.209 18281 320 1 . 1 1 62 62 GLY N N 62 110.940 110.940 108.537 2.403 18281 321 1 . 1 1 62 62 GLY CA C 62 46.200 46.200 44.934 1.266 18281 322 1 . 1 1 62 62 GLY H H 62 8.870 8.870 8.220 0.650 18281 323 1 . 1 1 66 66 GLY C C 66 176.930 176.930 172.072 4.858 18281 324 1 . 1 1 66 66 GLY CA C 66 45.080 45.080 45.190 -0.110 18281 325 1 . 1 1 67 67 TYR N N 67 115.490 115.490 117.707 -2.217 18281 326 1 . 1 1 67 67 TYR HA H 67 5.580 5.580 5.615 -0.035 18281 327 1 . 1 1 67 67 TYR C C 67 175.470 175.470 173.626 1.844 18281 328 1 . 1 1 67 67 TYR CA C 67 55.920 55.920 56.267 -0.347 18281 329 1 . 1 1 67 67 TYR CB C 67 41.720 41.720 41.471 0.250 18281 330 1 . 1 1 67 67 TYR H H 67 8.110 8.110 7.855 0.255 18281 331 1 . 1 1 68 68 VAL N N 68 111.980 111.980 119.976 -7.996 18281 332 1 . 1 1 68 68 VAL HA H 68 5.020 5.020 4.691 0.329 18281 333 1 . 1 1 68 68 VAL C C 68 175.480 175.480 174.867 0.613 18281 334 1 . 1 1 68 68 VAL CA C 68 59.500 59.500 60.446 -0.946 18281 335 1 . 1 1 68 68 VAL CB C 68 36.460 36.460 35.728 0.732 18281 336 1 . 1 1 68 68 VAL H H 68 8.840 8.840 8.757 0.083 18281 337 1 . 1 1 69 69 LYS N N 69 118.430 118.430 123.491 -5.061 18281 338 1 . 1 1 69 69 LYS HA H 69 5.700 5.700 5.109 0.591 18281 339 1 . 1 1 69 69 LYS C C 69 175.740 175.740 175.319 0.421 18281 340 1 . 1 1 69 69 LYS CA C 69 55.370 55.370 54.568 0.802 18281 341 1 . 1 1 69 69 LYS CB C 69 36.580 36.580 35.675 0.905 18281 342 1 . 1 1 69 69 LYS H H 69 8.590 8.590 9.021 -0.431 18281 343 1 . 1 1 70 70 HIS N N 70 122.590 122.590 121.173 1.417 18281 344 1 . 1 1 70 70 HIS HA H 70 6.190 6.190 5.334 0.856 18281 345 1 . 1 1 70 70 HIS C C 70 174.590 174.590 173.754 0.836 18281 346 1 . 1 1 70 70 HIS CA C 70 51.840 51.840 55.460 -3.620 18281 347 1 . 1 1 70 70 HIS CB C 70 36.010 36.010 33.431 2.579 18281 348 1 . 1 1 70 70 HIS H H 70 9.160 9.160 8.652 0.508 18281 349 1 . 1 1 71 71 LYS N N 71 122.760 122.760 123.244 -0.484 18281 350 1 . 1 1 71 71 LYS HA H 71 5.490 5.490 5.526 -0.036 18281 351 1 . 1 1 71 71 LYS C C 71 175.500 175.500 174.820 0.680 18281 352 1 . 1 1 71 71 LYS CA C 71 54.040 54.040 53.986 0.054 18281 353 1 . 1 1 71 71 LYS CB C 71 35.870 35.870 36.465 -0.596 18281 354 1 . 1 1 71 71 LYS H H 71 9.460 9.460 9.384 0.076 18281 355 1 . 1 1 72 72 ILE N N 72 127.870 127.870 126.149 1.721 18281 356 1 . 1 1 72 72 ILE HA H 72 3.880 3.880 4.298 -0.418 18281 357 1 . 1 1 72 72 ILE C C 72 175.430 175.430 175.776 -0.346 18281 358 1 . 1 1 72 72 ILE CA C 72 62.400 62.400 60.608 1.792 18281 359 1 . 1 1 72 72 ILE CB C 72 38.040 38.040 39.477 -1.437 18281 360 1 . 1 1 72 72 ILE H H 72 9.320 9.320 8.642 0.678 18281 361 1 . 1 1 73 73 HIS N N 73 127.690 127.690 126.170 1.520 18281 362 1 . 1 1 73 73 HIS HA H 73 5.120 5.120 4.660 0.460 18281 363 1 . 1 1 73 73 HIS C C 73 176.240 176.240 175.006 1.234 18281 364 1 . 1 1 73 73 HIS CA C 73 56.970 56.970 57.813 -0.843 18281 365 1 . 1 1 73 73 HIS CB C 73 31.940 31.940 31.679 0.261 18281 366 1 . 1 1 73 73 HIS H H 73 9.080 9.080 8.370 0.710 18281 367 1 . 1 1 74 74 SER N N 74 110.900 110.900 112.003 -1.103 18281 368 1 . 1 1 74 74 SER HA H 74 4.760 4.760 4.648 0.112 18281 369 1 . 1 1 74 74 SER C C 74 172.620 172.620 172.219 0.401 18281 370 1 . 1 1 74 74 SER CA C 74 57.880 57.880 57.882 -0.002 18281 371 1 . 1 1 74 74 SER CB C 74 66.790 66.790 65.080 1.710 18281 372 1 . 1 1 74 74 SER H H 74 8.180 8.180 7.693 0.487 18281 373 1 . 1 1 75 75 ILE N N 75 123.780 123.780 117.788 5.992 18281 374 1 . 1 1 75 75 ILE HA H 75 4.680 4.680 4.932 -0.252 18281 375 1 . 1 1 75 75 ILE C C 75 174.010 174.010 174.365 -0.355 18281 376 1 . 1 1 75 75 ILE CA C 75 62.140 62.140 59.650 2.490 18281 377 1 . 1 1 75 75 ILE CB C 75 41.310 41.310 41.988 -0.678 18281 378 1 . 1 1 75 75 ILE H H 75 8.730 8.730 8.307 0.423 18281 379 1 . 1 1 76 76 ASP N N 76 127.280 127.280 126.273 1.007 18281 380 1 . 1 1 76 76 ASP HA H 76 5.080 5.080 5.055 0.025 18281 381 1 . 1 1 76 76 ASP C C 76 176.680 176.680 176.001 0.679 18281 382 1 . 1 1 76 76 ASP CA C 76 52.130 52.130 53.174 -1.044 18281 383 1 . 1 1 76 76 ASP CB C 76 41.550 41.550 41.556 -0.006 18281 384 1 . 1 1 76 76 ASP H H 76 9.110 9.110 9.082 0.028 18281 385 1 . 1 1 77 77 LYS N N 77 122.400 122.400 123.162 -0.762 18281 386 1 . 1 1 77 77 LYS HA H 77 3.980 3.980 3.704 0.276 18281 387 1 . 1 1 77 77 LYS C C 77 175.980 175.980 177.432 -1.452 18281 388 1 . 1 1 77 77 LYS CA C 77 57.420 57.420 59.561 -2.141 18281 389 1 . 1 1 77 77 LYS CB C 77 32.780 32.780 32.436 0.344 18281 390 1 . 1 1 77 77 LYS H H 77 8.890 8.890 8.668 0.222 18281 391 1 . 1 1 78 78 VAL N N 78 119.300 119.300 117.252 2.048 18281 392 1 . 1 1 78 78 VAL HA H 78 3.660 3.660 3.569 0.091 18281 393 1 . 1 1 78 78 VAL C C 78 176.290 176.290 176.273 0.017 18281 394 1 . 1 1 78 78 VAL CA C 78 64.420 64.420 64.738 -0.318 18281 395 1 . 1 1 78 78 VAL CB C 78 32.100 32.100 31.608 0.492 18281 396 1 . 1 1 78 78 VAL H H 78 8.110 8.110 7.989 0.122 18281 397 1 . 1 1 79 79 ASN N N 79 114.400 114.400 115.039 -0.639 18281 398 1 . 1 1 79 79 ASN HA H 79 4.480 4.480 4.622 -0.142 18281 399 1 . 1 1 79 79 ASN C C 79 173.670 173.670 174.634 -0.964 18281 400 1 . 1 1 79 79 ASN CA C 79 52.540 52.540 52.953 -0.413 18281 401 1 . 1 1 79 79 ASN CB C 79 39.090 39.090 37.901 1.189 18281 402 1 . 1 1 79 79 ASN H H 79 7.700 7.700 7.940 -0.240 18281 403 1 . 1 1 80 80 HIS N N 80 115.530 115.530 113.925 1.605 18281 404 1 . 1 1 80 80 HIS C C 80 173.450 173.450 173.240 0.210 18281 405 1 . 1 1 80 80 HIS CA C 80 56.530 56.530 56.806 -0.276 18281 406 1 . 1 1 80 80 HIS CB C 80 27.200 27.200 26.572 0.628 18281 407 1 . 1 1 80 80 HIS H H 80 6.980 6.980 7.083 -0.103 18281 408 1 . 1 1 81 81 THR N N 81 109.600 109.600 113.722 -4.122 18281 409 1 . 1 1 81 81 THR HA H 81 5.730 5.730 5.070 0.660 18281 410 1 . 1 1 81 81 THR C C 81 172.980 172.980 172.837 0.143 18281 411 1 . 1 1 81 81 THR CA C 81 60.190 60.190 62.124 -1.934 18281 412 1 . 1 1 81 81 THR CB C 81 71.740 71.740 71.696 0.044 18281 413 1 . 1 1 81 81 THR H H 81 7.990 7.990 7.785 0.205 18281 414 1 . 1 1 82 82 TYR N N 82 125.000 125.000 128.524 -3.524 18281 415 1 . 1 1 82 82 TYR HA H 82 5.700 5.700 5.012 0.688 18281 416 1 . 1 1 82 82 TYR C C 82 173.600 173.600 173.177 0.423 18281 417 1 . 1 1 82 82 TYR CA C 82 55.330 55.330 56.993 -1.663 18281 418 1 . 1 1 82 82 TYR CB C 82 42.810 42.810 42.279 0.531 18281 419 1 . 1 1 82 82 TYR H H 82 9.300 9.300 9.526 -0.226 18281 420 1 . 1 1 83 83 SER N N 83 121.820 121.820 122.901 -1.081 18281 421 1 . 1 1 83 83 SER HA H 83 5.670 5.670 5.080 0.590 18281 422 1 . 1 1 83 83 SER C C 83 173.490 173.490 172.824 0.666 18281 423 1 . 1 1 83 83 SER CA C 83 56.420 56.420 56.862 -0.442 18281 424 1 . 1 1 83 83 SER CB C 83 65.520 65.520 65.469 0.051 18281 425 1 . 1 1 83 83 SER H H 83 9.090 9.090 8.036 1.054 18281 426 1 . 1 1 84 84 TYR N N 84 122.970 122.970 121.929 1.041 18281 427 1 . 1 1 84 84 TYR HA H 84 5.230 5.230 5.249 -0.019 18281 428 1 . 1 1 84 84 TYR C C 84 172.530 172.530 173.169 -0.639 18281 429 1 . 1 1 84 84 TYR CA C 84 56.420 56.420 56.295 0.125 18281 430 1 . 1 1 84 84 TYR CB C 84 40.950 40.950 41.525 -0.575 18281 431 1 . 1 1 84 84 TYR H H 84 8.790 8.790 9.039 -0.249 18281 432 1 . 1 1 85 85 SER N N 85 114.200 114.200 113.367 0.833 18281 433 1 . 1 1 85 85 SER HA H 85 5.700 5.700 5.263 0.437 18281 434 1 . 1 1 85 85 SER C C 85 173.180 173.180 172.678 0.502 18281 435 1 . 1 1 85 85 SER CA C 85 57.510 57.510 57.307 0.203 18281 436 1 . 1 1 85 85 SER CB C 85 65.940 65.940 67.144 -1.204 18281 437 1 . 1 1 85 85 SER H H 85 9.350 9.350 9.494 -0.144 18281 438 1 . 1 1 86 86 LEU N N 86 128.880 128.880 123.817 5.063 18281 439 1 . 1 1 86 86 LEU HA H 86 5.230 5.230 4.866 0.364 18281 440 1 . 1 1 86 86 LEU C C 86 176.230 176.230 176.690 -0.460 18281 441 1 . 1 1 86 86 LEU CA C 86 55.590 55.590 54.178 1.412 18281 442 1 . 1 1 86 86 LEU CB C 86 44.150 44.150 43.659 0.491 18281 443 1 . 1 1 86 86 LEU H H 86 9.900 9.900 8.963 0.937 18281 444 1 . 1 1 87 87 ILE N N 87 115.900 115.900 126.777 -10.877 18281 445 1 . 1 1 87 87 ILE HA H 87 4.930 4.930 4.038 0.892 18281 446 1 . 1 1 87 87 ILE C C 87 176.080 176.080 176.154 -0.074 18281 447 1 . 1 1 87 87 ILE CA C 87 61.270 61.270 63.364 -2.094 18281 448 1 . 1 1 87 87 ILE CB C 87 39.830 39.830 38.617 1.213 18281 449 1 . 1 1 87 87 ILE H H 87 8.180 8.180 8.771 -0.591 18281 450 1 . 1 1 88 88 GLU N N 88 121.920 121.920 117.023 4.897 18281 451 1 . 1 1 88 88 GLU HA H 88 4.510 4.510 4.519 -0.009 18281 452 1 . 1 1 88 88 GLU C C 88 174.020 174.020 174.864 -0.844 18281 453 1 . 1 1 88 88 GLU CA C 88 57.040 57.040 55.029 2.011 18281 454 1 . 1 1 88 88 GLU CB C 88 34.970 34.970 33.118 1.852 18281 455 1 . 1 1 88 88 GLU H H 88 7.650 7.650 7.616 0.034 18281 456 1 . 1 1 89 89 GLY N N 89 111.650 111.650 107.541 4.109 18281 457 1 . 1 1 89 89 GLY C C 89 173.800 173.800 173.587 0.213 18281 458 1 . 1 1 89 89 GLY CA C 89 44.950 44.950 44.773 0.177 18281 459 1 . 1 1 89 89 GLY H H 89 8.830 8.830 8.187 0.643 18281 460 1 . 1 1 90 90 ASP N N 90 119.650 119.650 122.885 -3.235 18281 461 1 . 1 1 90 90 ASP HA H 90 4.360 4.360 4.265 0.095 18281 462 1 . 1 1 90 90 ASP C C 90 176.570 176.570 177.572 -1.002 18281 463 1 . 1 1 90 90 ASP CA C 90 57.040 57.040 56.964 0.076 18281 464 1 . 1 1 90 90 ASP CB C 90 41.280 41.280 40.611 0.669 18281 465 1 . 1 1 90 90 ASP H H 90 8.430 8.430 8.453 -0.023 18281 466 1 . 1 1 91 91 ALA N N 91 118.530 118.530 119.544 -1.014 18281 467 1 . 1 1 91 91 ALA HA H 91 4.240 4.240 4.163 0.077 18281 468 1 . 1 1 91 91 ALA C C 91 177.740 177.740 178.547 -0.807 18281 469 1 . 1 1 91 91 ALA CA C 91 53.210 53.210 53.968 -0.758 18281 470 1 . 1 1 91 91 ALA CB C 91 19.310 19.310 18.692 0.618 18281 471 1 . 1 1 91 91 ALA H H 91 7.810 7.810 8.122 -0.312 18281 472 1 . 1 1 92 92 LEU N N 92 117.330 117.330 117.561 -0.231 18281 473 1 . 1 1 92 92 LEU HA H 92 4.460 4.460 4.246 0.214 18281 474 1 . 1 1 92 92 LEU C C 92 176.210 176.210 177.142 -0.932 18281 475 1 . 1 1 92 92 LEU CA C 92 54.020 54.020 55.628 -1.608 18281 476 1 . 1 1 92 92 LEU CB C 92 40.210 40.210 42.368 -2.158 18281 477 1 . 1 1 92 92 LEU H H 92 7.600 7.600 7.568 0.032 18281 478 1 . 1 1 93 93 SER N N 93 115.780 115.780 112.649 3.131 18281 479 1 . 1 1 93 93 SER HA H 93 4.620 4.620 4.050 0.570 18281 480 1 . 1 1 93 93 SER C C 93 173.970 173.970 174.767 -0.797 18281 481 1 . 1 1 93 93 SER CA C 93 57.730 57.730 59.605 -1.875 18281 482 1 . 1 1 93 93 SER CB C 93 64.920 64.920 63.292 1.628 18281 483 1 . 1 1 93 93 SER H H 93 7.910 7.910 7.820 0.090 18281 484 1 . 1 1 94 94 GLU N N 94 119.400 119.400 119.803 -0.403 18281 485 1 . 1 1 94 94 GLU HA H 94 4.160 4.160 4.197 -0.037 18281 486 1 . 1 1 94 94 GLU C C 94 176.570 176.570 176.561 0.009 18281 487 1 . 1 1 94 94 GLU CA C 94 58.700 58.700 57.744 0.956 18281 488 1 . 1 1 94 94 GLU CB C 94 29.210 29.210 29.626 -0.416 18281 489 1 . 1 1 94 94 GLU H H 94 8.850 8.850 8.747 0.103 18281 490 1 . 1 1 95 95 ASN N N 95 113.460 113.460 116.348 -2.888 18281 491 1 . 1 1 95 95 ASN HA H 95 4.800 4.800 4.732 0.068 18281 492 1 . 1 1 95 95 ASN C C 95 174.070 174.070 174.878 -0.808 18281 493 1 . 1 1 95 95 ASN CA C 95 54.120 54.120 54.465 -0.345 18281 494 1 . 1 1 95 95 ASN CB C 95 39.350 39.350 39.738 -0.388 18281 495 1 . 1 1 95 95 ASN H H 95 8.290 8.290 7.853 0.437 18281 496 1 . 1 1 96 96 ILE N N 96 120.610 120.610 119.436 1.174 18281 497 1 . 1 1 96 96 ILE HA H 96 4.190 4.190 4.261 -0.071 18281 498 1 . 1 1 96 96 ILE CA C 96 60.930 60.930 61.189 -0.259 18281 499 1 . 1 1 96 96 ILE CB C 96 38.870 38.870 39.224 -0.354 18281 500 1 . 1 1 96 96 ILE H H 96 7.770 7.770 7.771 -0.001 18281 501 1 . 1 1 97 97 GLU N N 97 126.670 126.670 126.089 0.581 18281 502 1 . 1 1 97 97 GLU HA H 97 4.790 4.790 4.518 0.272 18281 503 1 . 1 1 97 97 GLU CA C 97 56.200 56.200 55.285 0.915 18281 504 1 . 1 1 97 97 GLU CB C 97 32.950 32.950 31.009 1.941 18281 505 1 . 1 1 97 97 GLU H H 97 8.460 8.460 8.803 -0.343 18281 506 1 . 1 1 98 98 LYS HA H 98 4.710 4.710 4.379 0.331 18281 507 1 . 1 1 98 98 LYS C C 98 173.650 173.650 176.131 -2.481 18281 508 1 . 1 1 98 98 LYS CA C 98 55.970 55.970 57.384 -1.414 18281 509 1 . 1 1 98 98 LYS CB C 98 34.800 34.800 33.194 1.605 18281 510 1 . 1 1 99 99 ILE N N 99 120.290 120.290 120.881 -0.591 18281 511 1 . 1 1 99 99 ILE HA H 99 4.790 4.790 4.582 0.208 18281 512 1 . 1 1 99 99 ILE C C 99 174.690 174.690 174.454 0.235 18281 513 1 . 1 1 99 99 ILE CA C 99 60.300 60.300 59.873 0.427 18281 514 1 . 1 1 99 99 ILE CB C 99 41.550 41.550 41.086 0.464 18281 515 1 . 1 1 99 99 ILE H H 99 7.720 7.720 8.189 -0.469 18281 516 1 . 1 1 100 100 ASP N N 100 126.970 126.970 126.300 0.670 18281 517 1 . 1 1 100 100 ASP HA H 100 5.100 5.100 4.851 0.248 18281 518 1 . 1 1 100 100 ASP C C 100 174.490 174.490 174.361 0.129 18281 519 1 . 1 1 100 100 ASP CA C 100 52.630 52.630 52.749 -0.119 18281 520 1 . 1 1 100 100 ASP CB C 100 42.850 42.850 42.049 0.801 18281 521 1 . 1 1 100 100 ASP H H 100 9.220 9.220 8.468 0.752 18281 522 1 . 1 1 101 101 TYR N N 101 120.640 120.640 123.653 -3.013 18281 523 1 . 1 1 101 101 TYR HA H 101 5.280 5.280 4.900 0.380 18281 524 1 . 1 1 101 101 TYR C C 101 175.740 175.740 175.037 0.703 18281 525 1 . 1 1 101 101 TYR CA C 101 56.980 56.980 56.560 0.420 18281 526 1 . 1 1 101 101 TYR CB C 101 41.640 41.640 41.330 0.310 18281 527 1 . 1 1 101 101 TYR H H 101 9.140 9.140 8.962 0.178 18281 528 1 . 1 1 102 102 GLU N N 102 122.040 122.040 122.128 -0.088 18281 529 1 . 1 1 102 102 GLU HA H 102 5.130 5.130 4.876 0.254 18281 530 1 . 1 1 102 102 GLU C C 102 175.360 175.360 175.575 -0.215 18281 531 1 . 1 1 102 102 GLU CA C 102 55.870 55.870 55.270 0.600 18281 532 1 . 1 1 102 102 GLU CB C 102 33.070 33.070 33.996 -0.926 18281 533 1 . 1 1 102 102 GLU H H 102 8.670 8.670 9.194 -0.524 18281 534 1 . 1 1 103 103 THR N N 103 125.840 125.840 120.307 5.533 18281 535 1 . 1 1 103 103 THR HA H 103 5.580 5.580 5.067 0.513 18281 536 1 . 1 1 103 103 THR C C 103 172.780 172.780 173.059 -0.279 18281 537 1 . 1 1 103 103 THR CA C 103 62.150 62.150 61.683 0.467 18281 538 1 . 1 1 103 103 THR CB C 103 71.750 71.750 71.571 0.179 18281 539 1 . 1 1 103 103 THR H H 103 9.550 9.550 9.306 0.244 18281 540 1 . 1 1 104 104 LYS N N 104 126.990 126.990 127.349 -0.359 18281 541 1 . 1 1 104 104 LYS HA H 104 5.240 5.240 4.856 0.384 18281 542 1 . 1 1 104 104 LYS C C 104 174.300 174.300 174.064 0.236 18281 543 1 . 1 1 104 104 LYS CA C 104 55.330 55.330 55.268 0.062 18281 544 1 . 1 1 104 104 LYS CB C 104 35.940 35.940 36.092 -0.152 18281 545 1 . 1 1 104 104 LYS H H 104 9.430 9.430 8.812 0.618 18281 546 1 . 1 1 105 105 LEU N N 105 124.700 124.700 127.390 -2.690 18281 547 1 . 1 1 105 105 LEU HA H 105 5.210 5.210 4.645 0.566 18281 548 1 . 1 1 105 105 LEU C C 105 175.780 175.780 175.941 -0.161 18281 549 1 . 1 1 105 105 LEU CA C 105 54.620 54.620 53.846 0.774 18281 550 1 . 1 1 105 105 LEU CB C 105 41.950 41.950 41.970 -0.020 18281 551 1 . 1 1 105 105 LEU H H 105 8.410 8.410 8.455 -0.045 18281 552 1 . 1 1 106 106 VAL N N 106 123.290 123.290 123.375 -0.085 18281 553 1 . 1 1 106 106 VAL HA H 106 4.430 4.430 4.357 0.073 18281 554 1 . 1 1 106 106 VAL C C 106 175.560 175.560 174.564 0.996 18281 555 1 . 1 1 106 106 VAL CA C 106 60.470 60.470 60.614 -0.144 18281 556 1 . 1 1 106 106 VAL CB C 106 35.020 35.020 35.721 -0.701 18281 557 1 . 1 1 106 106 VAL H H 106 9.180 9.180 9.165 0.015 18281 558 1 . 1 1 107 107 SER N N 107 121.800 121.800 120.047 1.753 18281 559 1 . 1 1 107 107 SER HA H 107 4.660 4.660 4.714 -0.054 18281 560 1 . 1 1 107 107 SER C C 107 173.600 173.600 173.468 0.132 18281 561 1 . 1 1 107 107 SER CA C 107 59.860 59.860 56.899 2.961 18281 562 1 . 1 1 107 107 SER CB C 107 63.250 63.250 64.806 -1.556 18281 563 1 . 1 1 107 107 SER H H 107 8.910 8.910 8.350 0.560 18281 564 1 . 1 1 108 108 ALA N N 108 129.210 129.210 125.849 3.361 18281 565 1 . 1 1 108 108 ALA HA H 108 4.630 4.630 4.907 -0.277 18281 566 1 . 1 1 108 108 ALA CA C 108 49.620 49.620 48.792 0.828 18281 567 1 . 1 1 108 108 ALA CB C 108 18.800 18.800 18.731 0.069 18281 568 1 . 1 1 108 108 ALA H H 108 8.310 8.310 8.357 -0.048 18281 569 1 . 1 1 109 109 PRO HA H 109 4.420 4.420 4.272 0.148 18281 570 1 . 1 1 109 109 PRO CA C 109 63.700 63.700 64.675 -0.975 18281 571 1 . 1 1 109 109 PRO CB C 109 32.200 32.200 31.364 0.836 18281 572 1 . 1 1 110 110 HIS HA H 110 4.770 4.770 4.458 0.312 18281 573 1 . 1 1 110 110 HIS C C 110 175.760 175.760 176.011 -0.251 18281 574 1 . 1 1 110 110 HIS CA C 110 55.390 55.390 56.537 -1.147 18281 575 1 . 1 1 110 110 HIS CB C 110 29.410 29.410 29.752 -0.342 18281 576 1 . 1 1 111 111 GLY N N 111 108.720 108.720 106.891 1.829 18281 577 1 . 1 1 111 111 GLY C C 111 174.390 174.390 174.022 0.368 18281 578 1 . 1 1 111 111 GLY CA C 111 45.130 45.130 45.132 -0.002 18281 579 1 . 1 1 111 111 GLY H H 111 7.730 7.730 7.819 -0.089 18281 580 1 . 1 1 112 112 GLY N N 112 107.670 107.670 108.735 -1.065 18281 581 1 . 1 1 112 112 GLY C C 112 174.150 174.150 173.094 1.056 18281 582 1 . 1 1 112 112 GLY CA C 112 44.420 44.420 44.379 0.041 18281 583 1 . 1 1 112 112 GLY H H 112 7.600 7.600 7.940 -0.340 18281 584 1 . 1 1 113 113 THR N N 113 119.830 119.830 116.486 3.344 18281 585 1 . 1 1 113 113 THR HA H 113 5.060 5.060 4.818 0.242 18281 586 1 . 1 1 113 113 THR C C 113 173.250 173.250 173.485 -0.235 18281 587 1 . 1 1 113 113 THR CA C 113 62.990 62.990 62.041 0.949 18281 588 1 . 1 1 113 113 THR CB C 113 72.270 72.270 70.864 1.406 18281 589 1 . 1 1 113 113 THR H H 113 9.070 9.070 8.029 1.041 18281 590 1 . 1 1 114 114 ILE N N 114 127.600 127.600 127.257 0.343 18281 591 1 . 1 1 114 114 ILE HA H 114 4.510 4.510 4.423 0.087 18281 592 1 . 1 1 114 114 ILE C C 114 174.370 174.370 174.455 -0.085 18281 593 1 . 1 1 114 114 ILE CA C 114 61.160 61.160 60.918 0.242 18281 594 1 . 1 1 114 114 ILE CB C 114 39.970 39.970 39.570 0.400 18281 595 1 . 1 1 114 114 ILE H H 114 9.490 9.490 9.176 0.314 18281 596 1 . 1 1 115 115 ILE N N 115 129.200 129.200 126.939 2.261 18281 597 1 . 1 1 115 115 ILE HA H 115 4.500 4.500 4.820 -0.320 18281 598 1 . 1 1 115 115 ILE C C 115 175.000 175.000 174.868 0.132 18281 599 1 . 1 1 115 115 ILE CA C 115 61.400 61.400 60.040 1.360 18281 600 1 . 1 1 115 115 ILE CB C 115 38.000 38.000 40.254 -2.254 18281 601 1 . 1 1 115 115 ILE H H 115 9.220 9.220 9.198 0.022 18281 602 1 . 1 1 116 116 LYS N N 116 127.550 127.550 128.304 -0.754 18281 603 1 . 1 1 116 116 LYS HA H 116 5.170 5.170 5.347 -0.177 18281 604 1 . 1 1 116 116 LYS C C 116 176.300 176.300 175.716 0.584 18281 605 1 . 1 1 116 116 LYS CA C 116 55.370 55.370 54.896 0.474 18281 606 1 . 1 1 116 116 LYS CB C 116 34.580 34.580 35.010 -0.430 18281 607 1 . 1 1 116 116 LYS H H 116 9.130 9.130 8.650 0.480 18281 608 1 . 1 1 117 117 THR N N 117 120.940 120.940 121.816 -0.876 18281 609 1 . 1 1 117 117 THR HA H 117 5.730 5.730 5.326 0.404 18281 610 1 . 1 1 117 117 THR C C 117 174.620 174.620 173.774 0.846 18281 611 1 . 1 1 117 117 THR CA C 117 60.990 60.990 61.364 -0.374 18281 612 1 . 1 1 117 117 THR CB C 117 71.750 71.750 71.407 0.343 18281 613 1 . 1 1 117 117 THR H H 117 9.020 9.020 9.015 0.005 18281 614 1 . 1 1 118 118 THR N N 118 125.750 125.750 123.876 1.874 18281 615 1 . 1 1 118 118 THR HA H 118 5.170 5.170 5.442 -0.272 18281 616 1 . 1 1 118 118 THR C C 118 173.760 173.760 173.375 0.386 18281 617 1 . 1 1 118 118 THR CA C 118 61.800 61.800 61.319 0.481 18281 618 1 . 1 1 118 118 THR CB C 118 70.720 70.720 71.057 -0.337 18281 619 1 . 1 1 118 118 THR H H 118 9.500 9.500 8.803 0.697 18281 620 1 . 1 1 119 119 SER N N 119 122.250 122.250 120.065 2.185 18281 621 1 . 1 1 119 119 SER HA H 119 5.270 5.270 5.230 0.040 18281 622 1 . 1 1 119 119 SER C C 119 172.960 172.960 172.414 0.546 18281 623 1 . 1 1 119 119 SER CA C 119 55.860 55.860 56.964 -1.104 18281 624 1 . 1 1 119 119 SER CB C 119 66.720 66.720 66.100 0.620 18281 625 1 . 1 1 119 119 SER H H 119 9.410 9.410 8.856 0.554 18281 626 1 . 1 1 120 120 LYS N N 120 124.120 124.120 123.834 0.286 18281 627 1 . 1 1 120 120 LYS HA H 120 5.240 5.240 4.664 0.576 18281 628 1 . 1 1 120 120 LYS C C 120 174.780 174.780 174.109 0.671 18281 629 1 . 1 1 120 120 LYS CA C 120 54.830 54.830 55.034 -0.204 18281 630 1 . 1 1 120 120 LYS CB C 120 36.160 36.160 36.447 -0.286 18281 631 1 . 1 1 120 120 LYS H H 120 9.150 9.150 8.174 0.976 18281 632 1 . 1 1 121 121 TYR N N 121 126.500 126.500 122.231 4.269 18281 633 1 . 1 1 121 121 TYR CA C 121 58.000 58.000 56.613 1.387 18281 634 1 . 1 1 121 121 TYR CB C 121 40.200 40.200 40.697 -0.497 18281 635 1 . 1 1 121 121 TYR H H 121 9.800 9.800 8.550 1.250 18281 636 1 . 1 1 122 122 HIS C C 122 174.670 174.670 174.813 -0.143 18281 637 1 . 1 1 123 123 THR N N 123 125.750 125.750 111.996 13.754 18281 638 1 . 1 1 123 123 THR HA H 123 5.400 5.400 4.718 0.682 18281 639 1 . 1 1 123 123 THR C C 123 174.460 174.460 174.481 -0.021 18281 640 1 . 1 1 123 123 THR CA C 123 60.230 60.230 60.017 0.213 18281 641 1 . 1 1 123 123 THR CB C 123 71.260 71.260 71.680 -0.420 18281 642 1 . 1 1 123 123 THR H H 123 8.920 8.920 8.329 0.590 18281 643 1 . 1 1 124 124 LYS N N 124 121.170 121.170 122.724 -1.554 18281 644 1 . 1 1 124 124 LYS HA H 124 4.760 4.760 4.232 0.528 18281 645 1 . 1 1 124 124 LYS C C 124 176.450 176.450 177.188 -0.739 18281 646 1 . 1 1 124 124 LYS CA C 124 55.510 55.510 58.603 -3.093 18281 647 1 . 1 1 124 124 LYS CB C 124 33.900 33.900 32.746 1.154 18281 648 1 . 1 1 124 124 LYS H H 124 8.590 8.590 8.438 0.152 18281 649 1 . 1 1 125 125 GLY N N 125 110.070 110.070 105.580 4.490 18281 650 1 . 1 1 125 125 GLY C C 125 173.620 173.620 173.641 -0.021 18281 651 1 . 1 1 125 125 GLY CA C 125 45.270 45.270 45.339 -0.069 18281 652 1 . 1 1 125 125 GLY H H 125 8.390 8.390 8.201 0.189 18281 653 1 . 1 1 126 126 ASP N N 126 120.070 120.070 119.801 0.269 18281 654 1 . 1 1 126 126 ASP HA H 126 4.670 4.670 4.626 0.044 18281 655 1 . 1 1 126 126 ASP C C 126 175.580 175.580 176.343 -0.763 18281 656 1 . 1 1 126 126 ASP CA C 126 54.290 54.290 53.965 0.325 18281 657 1 . 1 1 126 126 ASP CB C 126 40.360 40.360 40.252 0.107 18281 658 1 . 1 1 126 126 ASP H H 126 8.440 8.440 8.316 0.124 18281 659 1 . 1 1 127 127 VAL N N 127 119.620 119.620 119.102 0.518 18281 660 1 . 1 1 127 127 VAL HA H 127 4.240 4.240 3.900 0.340 18281 661 1 . 1 1 127 127 VAL C C 127 174.610 174.610 175.743 -1.133 18281 662 1 . 1 1 127 127 VAL CA C 127 61.230 61.230 63.296 -2.066 18281 663 1 . 1 1 127 127 VAL CB C 127 34.250 34.250 32.190 2.060 18281 664 1 . 1 1 127 127 VAL H H 127 7.620 7.620 7.942 -0.322 18281 665 1 . 1 1 128 128 GLU N N 128 125.030 125.030 121.621 3.409 18281 666 1 . 1 1 128 128 GLU HA H 128 4.130 4.130 4.408 -0.278 18281 667 1 . 1 1 128 128 GLU C C 128 175.680 175.680 175.202 0.478 18281 668 1 . 1 1 128 128 GLU CA C 128 55.540 55.540 56.031 -0.491 18281 669 1 . 1 1 128 128 GLU CB C 128 30.790 30.790 30.812 -0.022 18281 670 1 . 1 1 128 128 GLU H H 128 8.330 8.330 8.203 0.127 18281 671 1 . 1 1 129 129 ILE N N 129 124.070 124.070 121.565 2.505 18281 672 1 . 1 1 129 129 ILE HA H 129 3.960 3.960 4.375 -0.415 18281 673 1 . 1 1 129 129 ILE C C 129 175.960 175.960 174.462 1.498 18281 674 1 . 1 1 129 129 ILE CA C 129 59.350 59.350 59.676 -0.326 18281 675 1 . 1 1 129 129 ILE CB C 129 36.680 36.680 40.465 -3.785 18281 676 1 . 1 1 129 129 ILE H H 129 7.380 7.380 8.236 -0.856 18281 677 1 . 1 1 130 130 LYS N N 130 127.800 127.800 123.065 4.735 18281 678 1 . 1 1 130 130 LYS HA H 130 4.280 4.280 4.522 -0.242 18281 679 1 . 1 1 130 130 LYS C C 130 177.660 177.660 176.777 0.883 18281 680 1 . 1 1 130 130 LYS CA C 130 55.850 55.850 55.576 0.274 18281 681 1 . 1 1 130 130 LYS CB C 130 32.810 32.810 33.201 -0.391 18281 682 1 . 1 1 130 130 LYS H H 130 8.790 8.790 8.560 0.230 18281 683 1 . 1 1 131 131 GLU N N 131 125.060 125.060 126.428 -1.368 18281 684 1 . 1 1 131 131 GLU HA H 131 3.810 3.810 3.842 -0.032 18281 685 1 . 1 1 131 131 GLU C C 131 178.630 178.630 178.168 0.462 18281 686 1 . 1 1 131 131 GLU CA C 131 59.510 59.510 60.144 -0.634 18281 687 1 . 1 1 131 131 GLU CB C 131 29.300 29.300 29.588 -0.288 18281 688 1 . 1 1 131 131 GLU H H 131 8.880 8.880 9.151 -0.271 18281 689 1 . 1 1 132 132 GLU N N 132 117.220 117.220 117.221 -0.001 18281 690 1 . 1 1 132 132 GLU HA H 132 3.980 3.980 3.999 -0.019 18281 691 1 . 1 1 132 132 GLU C C 132 178.630 178.630 179.029 -0.399 18281 692 1 . 1 1 132 132 GLU CA C 132 59.610 59.610 59.213 0.397 18281 693 1 . 1 1 132 132 GLU CB C 132 28.980 28.980 29.021 -0.041 18281 694 1 . 1 1 132 132 GLU H H 132 9.200 9.200 8.917 0.283 18281 695 1 . 1 1 133 133 HIS N N 133 119.810 119.810 119.315 0.495 18281 696 1 . 1 1 133 133 HIS HA H 133 4.470 4.470 4.318 0.152 18281 697 1 . 1 1 133 133 HIS C C 133 178.430 178.430 177.715 0.715 18281 698 1 . 1 1 133 133 HIS CA C 133 59.130 59.130 58.913 0.217 18281 699 1 . 1 1 133 133 HIS CB C 133 31.320 31.320 29.773 1.547 18281 700 1 . 1 1 133 133 HIS H H 133 7.500 7.500 7.642 -0.142 18281 701 1 . 1 1 134 134 VAL N N 134 120.370 120.370 119.686 0.684 18281 702 1 . 1 1 134 134 VAL HA H 134 3.650 3.650 3.420 0.230 18281 703 1 . 1 1 134 134 VAL C C 134 179.170 179.170 177.393 1.777 18281 704 1 . 1 1 134 134 VAL CA C 134 65.180 65.180 66.390 -1.210 18281 705 1 . 1 1 134 134 VAL CB C 134 31.710 31.710 31.101 0.609 18281 706 1 . 1 1 134 134 VAL H H 134 7.290 7.290 7.894 -0.604 18281 707 1 . 1 1 135 135 LYS N N 135 121.310 121.310 120.091 1.219 18281 708 1 . 1 1 135 135 LYS HA H 135 3.960 3.960 3.819 0.141 18281 709 1 . 1 1 135 135 LYS C C 135 178.310 178.310 178.414 -0.104 18281 710 1 . 1 1 135 135 LYS CA C 135 59.330 59.330 59.652 -0.322 18281 711 1 . 1 1 135 135 LYS CB C 135 32.180 32.180 32.259 -0.079 18281 712 1 . 1 1 135 135 LYS H H 135 8.310 8.310 8.307 0.003 18281 713 1 . 1 1 136 136 ALA N N 136 121.150 121.150 120.505 0.645 18281 714 1 . 1 1 136 136 ALA HA H 136 4.230 4.230 4.076 0.154 18281 715 1 . 1 1 136 136 ALA C C 136 180.930 180.930 179.551 1.379 18281 716 1 . 1 1 136 136 ALA CA C 136 55.020 55.020 55.067 -0.046 18281 717 1 . 1 1 136 136 ALA CB C 136 17.750 17.750 18.105 -0.355 18281 718 1 . 1 1 136 136 ALA H H 136 7.950 7.950 7.744 0.206 18281 719 1 . 1 1 137 137 GLY N N 137 105.640 105.640 106.511 -0.871 18281 720 1 . 1 1 137 137 GLY C C 137 177.000 177.000 176.219 0.781 18281 721 1 . 1 1 137 137 GLY CA C 137 47.160 47.160 47.010 0.150 18281 722 1 . 1 1 137 137 GLY H H 137 7.930 7.930 7.803 0.127 18281 723 1 . 1 1 138 138 LYS N N 138 124.210 124.210 122.107 2.103 18281 724 1 . 1 1 138 138 LYS HA H 138 4.230 4.230 4.050 0.180 18281 725 1 . 1 1 138 138 LYS C C 138 178.860 178.860 178.847 0.013 18281 726 1 . 1 1 138 138 LYS CA C 138 59.790 59.790 59.821 -0.031 18281 727 1 . 1 1 138 138 LYS CB C 138 32.670 32.670 32.312 0.358 18281 728 1 . 1 1 138 138 LYS H H 138 7.960 7.960 7.767 0.193 18281 729 1 . 1 1 139 139 GLU N N 139 119.720 119.720 119.266 0.454 18281 730 1 . 1 1 139 139 GLU HA H 139 4.140 4.140 3.985 0.155 18281 731 1 . 1 1 139 139 GLU C C 139 179.710 179.710 178.765 0.945 18281 732 1 . 1 1 139 139 GLU CA C 139 59.180 59.180 59.400 -0.220 18281 733 1 . 1 1 139 139 GLU CB C 139 29.300 29.300 29.360 -0.060 18281 734 1 . 1 1 139 139 GLU H H 139 8.370 8.370 7.974 0.396 18281 735 1 . 1 1 140 140 LYS N N 140 120.270 120.270 119.858 0.412 18281 736 1 . 1 1 140 140 LYS HA H 140 4.110 4.110 3.999 0.111 18281 737 1 . 1 1 140 140 LYS C C 140 179.210 179.210 178.946 0.264 18281 738 1 . 1 1 140 140 LYS CA C 140 59.610 59.610 59.775 -0.165 18281 739 1 . 1 1 140 140 LYS CB C 140 32.380 32.380 32.368 0.012 18281 740 1 . 1 1 140 140 LYS H H 140 8.140 8.140 8.041 0.099 18281 741 1 . 1 1 141 141 ALA N N 141 121.910 121.910 121.132 0.778 18281 742 1 . 1 1 141 141 ALA HA H 141 4.040 4.040 4.138 -0.098 18281 743 1 . 1 1 141 141 ALA C C 141 179.530 179.530 179.637 -0.107 18281 744 1 . 1 1 141 141 ALA CA C 141 55.020 55.020 54.982 0.038 18281 745 1 . 1 1 141 141 ALA CB C 141 18.380 18.380 18.259 0.120 18281 746 1 . 1 1 141 141 ALA H H 141 7.730 7.730 7.854 -0.124 18281 747 1 . 1 1 142 142 ALA N N 142 120.440 120.440 121.171 -0.731 18281 748 1 . 1 1 142 142 ALA HA H 142 3.880 3.880 4.022 -0.142 18281 749 1 . 1 1 142 142 ALA C C 142 180.080 180.080 179.167 0.913 18281 750 1 . 1 1 142 142 ALA CA C 142 54.900 54.900 55.038 -0.138 18281 751 1 . 1 1 142 142 ALA CB C 142 18.230 18.230 18.168 0.062 18281 752 1 . 1 1 142 142 ALA H H 142 8.280 8.280 8.080 0.200 18281 753 1 . 1 1 143 143 HIS N N 143 118.280 118.280 118.574 -0.294 18281 754 1 . 1 1 143 143 HIS HA H 143 4.350 4.350 4.266 0.084 18281 755 1 . 1 1 143 143 HIS C C 143 177.350 177.350 177.681 -0.331 18281 756 1 . 1 1 143 143 HIS CA C 143 59.430 59.430 59.563 -0.133 18281 757 1 . 1 1 143 143 HIS CB C 143 30.750 30.750 29.888 0.862 18281 758 1 . 1 1 143 143 HIS H H 143 8.030 8.030 8.204 -0.174 18281 759 1 . 1 1 144 144 LEU N N 144 118.820 118.820 119.564 -0.744 18281 760 1 . 1 1 144 144 LEU HA H 144 3.910 3.910 3.831 0.079 18281 761 1 . 1 1 144 144 LEU C C 144 179.040 179.040 178.758 0.282 18281 762 1 . 1 1 144 144 LEU CA C 144 58.080 58.080 57.756 0.325 18281 763 1 . 1 1 144 144 LEU CB C 144 40.960 40.960 41.470 -0.510 18281 764 1 . 1 1 144 144 LEU H H 144 7.700 7.700 7.786 -0.086 18281 765 1 . 1 1 145 145 PHE N N 145 116.920 116.920 118.052 -1.132 18281 766 1 . 1 1 145 145 PHE HA H 145 4.000 4.000 4.013 -0.014 18281 767 1 . 1 1 145 145 PHE C C 145 177.900 177.900 177.556 0.344 18281 768 1 . 1 1 145 145 PHE CA C 145 62.150 62.150 62.157 -0.006 18281 769 1 . 1 1 145 145 PHE CB C 145 37.750 37.750 38.208 -0.458 18281 770 1 . 1 1 145 145 PHE H H 145 8.100 8.100 7.907 0.193 18281 771 1 . 1 1 146 146 LYS N N 146 119.710 119.710 119.540 0.170 18281 772 1 . 1 1 146 146 LYS HA H 146 4.130 4.130 4.013 0.117 18281 773 1 . 1 1 146 146 LYS C C 146 177.750 177.750 178.587 -0.837 18281 774 1 . 1 1 146 146 LYS CA C 146 58.900 58.900 59.589 -0.689 18281 775 1 . 1 1 146 146 LYS CB C 146 32.280 32.280 32.199 0.081 18281 776 1 . 1 1 146 146 LYS H H 146 8.040 8.040 7.635 0.405 18281 777 1 . 1 1 147 147 LEU N N 147 118.970 118.970 119.522 -0.552 18281 778 1 . 1 1 147 147 LEU HA H 147 4.000 4.000 3.941 0.059 18281 779 1 . 1 1 147 147 LEU C C 147 180.460 180.460 178.977 1.483 18281 780 1 . 1 1 147 147 LEU CA C 147 57.470 57.470 57.426 0.044 18281 781 1 . 1 1 147 147 LEU CB C 147 42.400 42.400 41.242 1.158 18281 782 1 . 1 1 147 147 LEU H H 147 7.960 7.960 7.397 0.563 18281 783 1 . 1 1 148 148 ILE N N 148 121.410 121.410 119.858 1.552 18281 784 1 . 1 1 148 148 ILE HA H 148 3.540 3.540 3.554 -0.014 18281 785 1 . 1 1 148 148 ILE C C 148 177.030 177.030 178.143 -1.113 18281 786 1 . 1 1 148 148 ILE CA C 148 65.400 65.400 65.659 -0.260 18281 787 1 . 1 1 148 148 ILE CB C 148 37.690 37.690 37.271 0.419 18281 788 1 . 1 1 148 148 ILE H H 148 8.200 8.200 7.845 0.355 18281 789 1 . 1 1 149 149 GLU N N 149 120.450 120.450 119.681 0.769 18281 790 1 . 1 1 149 149 GLU HA H 149 3.680 3.680 4.003 -0.323 18281 791 1 . 1 1 149 149 GLU C C 149 178.540 178.540 179.326 -0.786 18281 792 1 . 1 1 149 149 GLU CA C 149 60.320 60.320 59.648 0.672 18281 793 1 . 1 1 149 149 GLU CB C 149 28.830 28.830 29.334 -0.504 18281 794 1 . 1 1 149 149 GLU H H 149 8.680 8.680 7.902 0.778 18281 795 1 . 1 1 150 150 GLY N N 150 104.450 104.450 107.316 -2.866 18281 796 1 . 1 1 150 150 GLY C C 150 175.670 175.670 176.055 -0.385 18281 797 1 . 1 1 150 150 GLY CA C 150 47.250 47.250 46.811 0.439 18281 798 1 . 1 1 150 150 GLY H H 150 8.180 8.180 7.928 0.252 18281 799 1 . 1 1 151 151 TYR N N 151 122.120 122.120 123.483 -1.363 18281 800 1 . 1 1 151 151 TYR HA H 151 4.380 4.380 4.240 0.140 18281 801 1 . 1 1 151 151 TYR C C 151 179.360 179.360 177.849 1.511 18281 802 1 . 1 1 151 151 TYR CA C 151 62.320 62.320 61.263 1.057 18281 803 1 . 1 1 151 151 TYR CB C 151 36.390 36.390 38.398 -2.008 18281 804 1 . 1 1 151 151 TYR H H 151 7.910 7.910 8.219 -0.308 18281 805 1 . 1 1 152 152 LEU N N 152 120.020 120.020 118.672 1.348 18281 806 1 . 1 1 152 152 LEU HA H 152 4.030 4.030 4.017 0.013 18281 807 1 . 1 1 152 152 LEU C C 152 180.320 180.320 178.712 1.608 18281 808 1 . 1 1 152 152 LEU CA C 152 57.760 57.760 57.621 0.139 18281 809 1 . 1 1 152 152 LEU CB C 152 41.000 41.000 41.794 -0.794 18281 810 1 . 1 1 152 152 LEU H H 152 8.630 8.630 8.035 0.595 18281 811 1 . 1 1 153 153 LYS N N 153 119.730 119.730 118.760 0.970 18281 812 1 . 1 1 153 153 LYS HA H 153 3.970 3.970 4.031 -0.061 18281 813 1 . 1 1 153 153 LYS C C 153 178.150 178.150 178.205 -0.055 18281 814 1 . 1 1 153 153 LYS CA C 153 59.400 59.400 58.972 0.428 18281 815 1 . 1 1 153 153 LYS CB C 153 32.350 32.350 32.516 -0.166 18281 816 1 . 1 1 153 153 LYS H H 153 8.260 8.260 7.860 0.400 18281 817 1 . 1 1 154 154 ASP N N 154 117.020 117.020 116.751 0.269 18281 818 1 . 1 1 154 154 ASP HA H 154 4.000 4.000 4.520 -0.520 18281 819 1 . 1 1 154 154 ASP C C 154 175.660 175.660 176.478 -0.818 18281 820 1 . 1 1 154 154 ASP CA C 154 55.030 55.030 55.328 -0.298 18281 821 1 . 1 1 154 154 ASP H H 154 7.560 7.560 7.896 -0.336 18281 822 1 . 1 1 155 155 HIS N N 155 117.160 117.160 118.840 -1.680 18281 823 1 . 1 1 155 155 HIS HA H 155 4.900 4.900 4.506 0.394 18281 824 1 . 1 1 155 155 HIS CA C 155 54.150 54.150 54.355 -0.205 18281 825 1 . 1 1 155 155 HIS CB C 155 27.990 27.990 29.712 -1.722 18281 826 1 . 1 1 155 155 HIS H H 155 7.430 7.430 7.693 -0.263 18281 stop_ save_