data_18091 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18091 _Entry.PDB_ID 2LLW 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 18091 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.476 -0.246 18091 2 1 1 . 1 1 2 2 PRO CA C 520 63.250 63.250 64.496 -1.246 18091 3 1 1 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.460 -0.500 18091 4 1 1 . 1 1 3 3 GLY N N 521 109.400 109.400 108.443 0.957 18091 5 1 1 . 1 1 3 3 GLY C C 521 174.300 174.300 175.197 -0.897 18091 6 1 1 . 1 1 3 3 GLY CA C 521 45.180 45.180 46.955 -1.775 18091 7 1 1 . 1 1 3 3 GLY H H 521 8.490 8.490 9.449 -0.959 18091 8 1 1 . 1 1 4 4 THR N N 522 112.480 112.480 113.138 -0.658 18091 9 1 1 . 1 1 4 4 THR HA H 522 4.300 4.300 4.450 -0.150 18091 10 1 1 . 1 1 4 4 THR C C 522 174.690 174.690 174.844 -0.154 18091 11 1 1 . 1 1 4 4 THR CA C 522 61.240 61.240 60.417 0.823 18091 12 1 1 . 1 1 4 4 THR CB C 522 69.960 69.960 68.650 1.310 18091 13 1 1 . 1 1 4 4 THR H H 522 7.860 7.860 7.738 0.122 18091 14 1 1 . 1 1 5 5 SER N N 523 117.450 117.450 117.638 -0.188 18091 15 1 1 . 1 1 5 5 SER HA H 523 3.890 3.890 4.229 -0.339 18091 16 1 1 . 1 1 5 5 SER C C 523 173.320 173.320 174.451 -1.131 18091 17 1 1 . 1 1 5 5 SER CA C 523 58.460 58.460 59.946 -1.486 18091 18 1 1 . 1 1 5 5 SER CB C 523 63.690 63.690 63.793 -0.103 18091 19 1 1 . 1 1 5 5 SER H H 523 8.300 8.300 7.552 0.748 18091 20 1 1 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.653 -0.303 18091 21 1 1 . 1 1 6 6 ASN C C 524 174.670 174.670 174.778 -0.108 18091 22 1 1 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.996 -0.936 18091 23 1 1 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.676 0.034 18091 24 1 1 . 1 1 7 7 GLU N N 525 120.970 120.970 119.270 1.700 18091 25 1 1 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.531 -0.191 18091 26 1 1 . 1 1 7 7 GLU C C 525 176.900 176.900 176.268 0.632 18091 27 1 1 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.595 -0.555 18091 28 1 1 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.573 1.497 18091 29 1 1 . 1 1 7 7 GLU H H 525 7.970 7.970 8.625 -0.655 18091 30 1 1 . 1 1 8 8 THR N N 526 116.960 116.960 112.082 4.878 18091 31 1 1 . 1 1 8 8 THR HA H 526 4.540 4.540 4.707 -0.167 18091 32 1 1 . 1 1 8 8 THR C C 526 173.410 173.410 173.877 -0.467 18091 33 1 1 . 1 1 8 8 THR CA C 526 60.080 60.080 58.779 1.302 18091 34 1 1 . 1 1 8 8 THR CB C 526 68.500 68.500 68.913 -0.413 18091 35 1 1 . 1 1 8 8 THR H H 526 8.630 8.630 7.606 1.024 18091 36 1 1 . 1 1 9 9 PRO HA H 527 4.190 4.190 3.930 0.260 18091 37 1 1 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.409 0.701 18091 38 1 1 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.588 -0.008 18091 39 1 1 . 1 1 10 10 GLU N N 528 118.610 118.610 117.671 0.939 18091 40 1 1 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.995 -0.015 18091 41 1 1 . 1 1 10 10 GLU C C 528 178.550 178.550 178.056 0.494 18091 42 1 1 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.389 0.191 18091 43 1 1 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.248 -0.259 18091 44 1 1 . 1 1 10 10 GLU H H 528 8.550 8.550 8.473 0.077 18091 45 1 1 . 1 1 11 11 GLU N N 529 121.090 121.090 119.008 2.082 18091 46 1 1 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.034 -0.104 18091 47 1 1 . 1 1 11 11 GLU C C 529 179.470 179.470 178.725 0.745 18091 48 1 1 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.310 -0.360 18091 49 1 1 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.570 -0.090 18091 50 1 1 . 1 1 11 11 GLU H H 529 7.870 7.870 7.956 -0.086 18091 51 1 1 . 1 1 12 12 THR N N 530 118.050 118.050 116.843 1.207 18091 52 1 1 . 1 1 12 12 THR HA H 530 3.750 3.750 3.915 -0.165 18091 53 1 1 . 1 1 12 12 THR C C 530 175.770 175.770 176.577 -0.807 18091 54 1 1 . 1 1 12 12 THR CA C 530 66.320 66.320 67.048 -0.728 18091 55 1 1 . 1 1 12 12 THR CB C 530 68.430 68.430 68.648 -0.218 18091 56 1 1 . 1 1 12 12 THR H H 530 8.390 8.390 7.182 1.208 18091 57 1 1 . 1 1 13 13 TYR N N 531 122.280 122.280 120.163 2.117 18091 58 1 1 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.114 -0.294 18091 59 1 1 . 1 1 13 13 TYR C C 531 176.420 176.420 178.349 -1.929 18091 60 1 1 . 1 1 13 13 TYR CA C 531 61.440 61.440 59.697 1.743 18091 61 1 1 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.746 1.364 18091 62 1 1 . 1 1 13 13 TYR H H 531 8.050 8.050 7.472 0.578 18091 63 1 1 . 1 1 14 14 GLN N N 532 116.250 116.250 118.153 -1.903 18091 64 1 1 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.926 -0.236 18091 65 1 1 . 1 1 14 14 GLN C C 532 178.800 178.800 178.399 0.401 18091 66 1 1 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.922 -0.302 18091 67 1 1 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.426 -0.366 18091 68 1 1 . 1 1 14 14 GLN H H 532 8.010 8.010 7.810 0.200 18091 69 1 1 . 1 1 15 15 ARG N N 533 118.730 118.730 119.743 -1.013 18091 70 1 1 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.023 -0.103 18091 71 1 1 . 1 1 15 15 ARG C C 533 179.030 179.030 178.992 0.038 18091 72 1 1 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.098 0.042 18091 73 1 1 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.213 -0.413 18091 74 1 1 . 1 1 15 15 ARG H H 533 7.800 7.800 7.746 0.054 18091 75 1 1 . 1 1 16 16 ALA N N 534 123.500 123.500 121.864 1.636 18091 76 1 1 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.047 -0.087 18091 77 1 1 . 1 1 16 16 ALA C C 534 178.860 178.860 179.760 -0.900 18091 78 1 1 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.897 -0.227 18091 79 1 1 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.518 0.212 18091 80 1 1 . 1 1 16 16 ALA H H 534 8.210 8.210 8.088 0.122 18091 81 1 1 . 1 1 17 17 MET N N 535 111.910 111.910 115.061 -3.151 18091 82 1 1 . 1 1 17 17 MET HA H 535 4.020 4.020 4.239 -0.219 18091 83 1 1 . 1 1 17 17 MET C C 535 176.890 176.890 177.485 -0.595 18091 84 1 1 . 1 1 17 17 MET CA C 535 55.200 55.200 57.342 -2.142 18091 85 1 1 . 1 1 17 17 MET CB C 535 31.110 31.110 31.809 -0.699 18091 86 1 1 . 1 1 17 17 MET H H 535 7.480 7.480 8.031 -0.551 18091 87 1 1 . 1 1 18 18 LYS N N 536 116.840 116.840 116.540 0.300 18091 88 1 1 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.219 -0.229 18091 89 1 1 . 1 1 18 18 LYS C C 536 176.690 176.690 176.650 0.040 18091 90 1 1 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.905 -0.315 18091 91 1 1 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.613 -0.273 18091 92 1 1 . 1 1 18 18 LYS H H 536 7.180 7.180 7.353 -0.173 18091 93 1 1 . 1 1 19 19 ASP N N 537 122.680 122.680 121.151 1.529 18091 94 1 1 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.888 -0.088 18091 95 1 1 . 1 1 19 19 ASP C C 537 174.720 174.720 175.353 -0.633 18091 96 1 1 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091 97 1 1 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.475 0.495 18091 98 1 1 . 1 1 19 19 ASP H H 537 7.530 7.530 7.603 -0.073 18091 99 1 1 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.243 -0.103 18091 100 1 1 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.855 -0.105 18091 101 1 1 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.163 -0.043 18091 102 1 1 . 1 1 21 21 GLU N N 539 118.590 118.590 117.966 0.624 18091 103 1 1 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.083 -0.073 18091 104 1 1 . 1 1 21 21 GLU C C 539 179.010 179.010 179.088 -0.078 18091 105 1 1 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.199 -0.349 18091 106 1 1 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.326 0.014 18091 107 1 1 . 1 1 21 21 GLU H H 539 8.200 8.200 8.490 -0.290 18091 108 1 1 . 1 1 22 22 VAL N N 540 120.690 120.690 120.690 0.000 18091 109 1 1 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.568 -0.338 18091 110 1 1 . 1 1 22 22 VAL C C 540 177.740 177.740 177.651 0.089 18091 111 1 1 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.326 -0.236 18091 112 1 1 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.591 -0.241 18091 113 1 1 . 1 1 22 22 VAL H H 540 7.350 7.350 7.387 -0.037 18091 114 1 1 . 1 1 23 23 ALA N N 541 121.460 121.460 122.081 -0.621 18091 115 1 1 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.908 -0.138 18091 116 1 1 . 1 1 23 23 ALA C C 541 179.660 179.660 179.093 0.567 18091 117 1 1 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.246 0.144 18091 118 1 1 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.023 -0.313 18091 119 1 1 . 1 1 23 23 ALA H H 541 8.430 8.430 7.678 0.752 18091 120 1 1 . 1 1 24 24 ALA N N 542 117.000 117.000 120.970 -3.970 18091 121 1 1 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.020 -0.080 18091 122 1 1 . 1 1 24 24 ALA C C 542 180.880 180.880 179.506 1.374 18091 123 1 1 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.659 0.041 18091 124 1 1 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.563 -0.613 18091 125 1 1 . 1 1 24 24 ALA H H 542 7.380 7.380 7.648 -0.268 18091 126 1 1 . 1 1 25 25 ILE N N 543 119.750 119.750 117.909 1.841 18091 127 1 1 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.716 -0.026 18091 128 1 1 . 1 1 25 25 ILE C C 543 177.450 177.450 178.614 -1.164 18091 129 1 1 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.818 0.142 18091 130 1 1 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091 131 1 1 . 1 1 25 25 ILE H H 543 7.380 7.380 7.618 -0.238 18091 132 1 1 . 1 1 26 26 MET N N 544 113.830 113.830 117.485 -3.655 18091 133 1 1 . 1 1 26 26 MET HA H 544 4.140 4.140 4.065 0.075 18091 134 1 1 . 1 1 26 26 MET C C 544 177.680 177.680 177.740 -0.060 18091 135 1 1 . 1 1 26 26 MET CA C 544 55.660 55.660 58.662 -3.002 18091 136 1 1 . 1 1 26 26 MET CB C 544 30.690 30.690 32.431 -1.741 18091 137 1 1 . 1 1 26 26 MET H H 544 7.870 7.870 8.142 -0.272 18091 138 1 1 . 1 1 27 27 GLN N N 545 115.210 115.210 115.458 -0.248 18091 139 1 1 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.249 -0.169 18091 140 1 1 . 1 1 27 27 GLN C C 545 175.170 175.170 175.809 -0.639 18091 141 1 1 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.999 -0.559 18091 142 1 1 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.103 -0.113 18091 143 1 1 . 1 1 27 27 GLN H H 545 7.340 7.340 7.432 -0.092 18091 144 1 1 . 1 1 28 28 ASP N N 546 123.270 123.270 120.447 2.823 18091 145 1 1 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.930 -0.210 18091 146 1 1 . 1 1 28 28 ASP C C 546 175.220 175.220 175.586 -0.366 18091 147 1 1 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.595 0.745 18091 148 1 1 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.019 0.361 18091 149 1 1 . 1 1 28 28 ASP H H 546 7.320 7.320 7.849 -0.529 18091 150 1 1 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.330 -0.210 18091 151 1 1 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.098 0.822 18091 152 1 1 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.099 0.161 18091 153 1 1 . 1 1 30 30 VAL N N 548 119.870 119.870 119.205 0.665 18091 154 1 1 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.658 -0.078 18091 155 1 1 . 1 1 30 30 VAL C C 548 179.010 179.010 177.711 1.299 18091 156 1 1 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.622 -0.622 18091 157 1 1 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.144 -0.034 18091 158 1 1 . 1 1 30 30 VAL H H 548 8.000 8.000 8.426 -0.426 18091 159 1 1 . 1 1 31 31 MET N N 549 118.270 118.270 117.156 1.114 18091 160 1 1 . 1 1 31 31 MET HA H 549 4.340 4.340 3.958 0.382 18091 161 1 1 . 1 1 31 31 MET C C 549 178.830 178.830 178.075 0.755 18091 162 1 1 . 1 1 31 31 MET CA C 549 55.140 55.140 59.462 -4.322 18091 163 1 1 . 1 1 31 31 MET CB C 549 28.840 28.840 32.134 -3.294 18091 164 1 1 . 1 1 31 31 MET H H 549 7.250 7.250 7.409 -0.159 18091 165 1 1 . 1 1 32 32 GLN N N 550 118.190 118.190 119.764 -1.574 18091 166 1 1 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.942 -0.202 18091 167 1 1 . 1 1 32 32 GLN C C 550 178.840 178.840 178.414 0.426 18091 168 1 1 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.255 0.165 18091 169 1 1 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.367 -0.707 18091 170 1 1 . 1 1 32 32 GLN H H 550 8.310 8.310 7.924 0.386 18091 171 1 1 . 1 1 33 33 SER N N 551 114.010 114.010 115.214 -1.204 18091 172 1 1 . 1 1 33 33 SER HA H 551 4.140 4.140 4.203 -0.063 18091 173 1 1 . 1 1 33 33 SER C C 551 176.840 176.840 176.867 -0.027 18091 174 1 1 . 1 1 33 33 SER CA C 551 61.330 61.330 62.157 -0.827 18091 175 1 1 . 1 1 33 33 SER CB C 551 62.450 62.450 62.904 -0.454 18091 176 1 1 . 1 1 33 33 SER H H 551 7.570 7.570 7.641 -0.071 18091 177 1 1 . 1 1 34 34 ILE N N 552 123.490 123.490 122.331 1.159 18091 178 1 1 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.452 -0.172 18091 179 1 1 . 1 1 34 34 ILE C C 552 177.630 177.630 177.658 -0.028 18091 180 1 1 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.315 0.365 18091 181 1 1 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.239 0.481 18091 182 1 1 . 1 1 34 34 ILE H H 552 7.600 7.600 7.384 0.216 18091 183 1 1 . 1 1 35 35 LEU N N 553 119.520 119.520 119.153 0.367 18091 184 1 1 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.777 -0.027 18091 185 1 1 . 1 1 35 35 LEU C C 553 179.440 179.440 179.190 0.250 18091 186 1 1 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.184 -0.234 18091 187 1 1 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.028 -0.327 18091 188 1 1 . 1 1 35 35 LEU H H 553 8.330 8.330 7.756 0.574 18091 189 1 1 . 1 1 36 36 GLN N N 554 118.590 118.590 117.640 0.950 18091 190 1 1 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.912 0.008 18091 191 1 1 . 1 1 36 36 GLN C C 554 178.560 178.560 179.015 -0.455 18091 192 1 1 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.016 -0.356 18091 193 1 1 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.531 -0.471 18091 194 1 1 . 1 1 36 36 GLN H H 554 7.800 7.800 7.812 -0.012 18091 195 1 1 . 1 1 37 37 GLN N N 555 119.520 119.520 118.960 0.560 18091 196 1 1 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.062 -0.132 18091 197 1 1 . 1 1 37 37 GLN C C 555 178.400 178.400 178.561 -0.161 18091 198 1 1 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.699 -0.169 18091 199 1 1 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.733 0.057 18091 200 1 1 . 1 1 37 37 GLN H H 555 7.990 7.990 8.096 -0.106 18091 201 1 1 . 1 1 38 38 ALA N N 556 120.730 120.730 121.270 -0.540 18091 202 1 1 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.362 -0.252 18091 203 1 1 . 1 1 38 38 ALA C C 556 178.310 178.310 179.280 -0.970 18091 204 1 1 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.766 -1.266 18091 205 1 1 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.391 -0.021 18091 206 1 1 . 1 1 38 38 ALA H H 556 8.310 8.310 8.109 0.201 18091 207 1 1 . 1 1 39 39 GLN N N 557 115.600 115.600 117.151 -1.551 18091 208 1 1 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.015 -0.055 18091 209 1 1 . 1 1 39 39 GLN C C 557 177.260 177.260 178.725 -1.465 18091 210 1 1 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.248 -0.328 18091 211 1 1 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.671 -0.191 18091 212 1 1 . 1 1 39 39 GLN H H 557 7.530 7.530 7.697 -0.167 18091 213 1 1 . 1 1 40 40 GLN N N 558 115.310 115.310 116.984 -1.674 18091 214 1 1 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.134 0.046 18091 215 1 1 . 1 1 40 40 GLN C C 558 176.030 176.030 176.408 -0.378 18091 216 1 1 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.677 -1.127 18091 217 1 1 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.802 -0.482 18091 218 1 1 . 1 1 40 40 GLN H H 558 7.350 7.350 7.541 -0.191 18091 219 1 1 . 1 1 41 41 ASN N N 559 114.850 114.850 114.613 0.237 18091 220 1 1 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.046 -0.096 18091 221 1 1 . 1 1 41 41 ASN C C 559 172.420 172.420 173.092 -0.672 18091 222 1 1 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.366 -0.936 18091 223 1 1 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.213 -2.333 18091 224 1 1 . 1 1 41 41 ASN H H 559 7.900 7.900 8.051 -0.151 18091 225 1 1 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.410 -0.080 18091 226 1 1 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.206 -0.206 18091 227 1 1 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.258 -0.578 18091 228 1 1 . 1 1 43 43 ALA N N 561 119.920 119.920 119.452 0.468 18091 229 1 1 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.372 -0.242 18091 230 1 1 . 1 1 43 43 ALA C C 561 179.510 179.510 179.057 0.453 18091 231 1 1 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.230 -0.180 18091 232 1 1 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.079 -0.029 18091 233 1 1 . 1 1 43 43 ALA H H 561 7.850 7.850 7.750 0.100 18091 234 1 1 . 1 1 44 44 ALA N N 562 120.790 120.790 121.887 -1.097 18091 235 1 1 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.093 -0.073 18091 236 1 1 . 1 1 44 44 ALA C C 562 179.570 179.570 179.203 0.367 18091 237 1 1 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.874 -0.754 18091 238 1 1 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.521 -0.321 18091 239 1 1 . 1 1 44 44 ALA H H 562 7.980 7.980 7.541 0.439 18091 240 1 1 . 1 1 45 45 LEU N N 563 116.420 116.420 115.654 0.766 18091 241 1 1 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.542 -0.562 18091 242 1 1 . 1 1 45 45 LEU C C 563 178.220 178.220 178.908 -0.688 18091 243 1 1 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.592 1.048 18091 244 1 1 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.696 0.994 18091 245 1 1 . 1 1 45 45 LEU H H 563 7.510 7.510 7.667 -0.157 18091 246 1 1 . 1 1 46 46 GLN N N 564 115.510 115.510 119.889 -4.379 18091 247 1 1 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.927 -0.067 18091 248 1 1 . 1 1 46 46 GLN C C 564 178.300 178.300 178.503 -0.203 18091 249 1 1 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.441 -0.721 18091 250 1 1 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.455 -0.435 18091 251 1 1 . 1 1 46 46 GLN H H 564 7.510 7.510 7.662 -0.152 18091 252 1 1 . 1 1 47 47 GLU N N 565 117.680 117.680 118.241 -0.561 18091 253 1 1 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.949 -0.049 18091 254 1 1 . 1 1 47 47 GLU C C 565 179.070 179.070 179.035 0.035 18091 255 1 1 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.920 -0.540 18091 256 1 1 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.017 -0.027 18091 257 1 1 . 1 1 47 47 GLU H H 565 7.440 7.440 7.922 -0.482 18091 258 1 1 . 1 1 48 48 HIS N N 566 118.220 118.220 119.385 -1.165 18091 259 1 1 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.323 0.057 18091 260 1 1 . 1 1 48 48 HIS C C 566 177.280 177.280 176.749 0.531 18091 261 1 1 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.779 0.081 18091 262 1 1 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.833 1.607 18091 263 1 1 . 1 1 48 48 HIS H H 566 7.420 7.420 7.278 0.142 18091 264 1 1 . 1 1 49 49 MET N N 567 115.200 115.200 117.026 -1.826 18091 265 1 1 . 1 1 49 49 MET HA H 567 3.840 3.840 4.311 -0.471 18091 266 1 1 . 1 1 49 49 MET C C 567 175.260 175.260 177.893 -2.633 18091 267 1 1 . 1 1 49 49 MET CA C 567 57.840 57.840 58.577 -0.737 18091 268 1 1 . 1 1 49 49 MET CB C 567 33.080 33.080 33.012 0.068 18091 269 1 1 . 1 1 49 49 MET H H 567 7.710 7.710 7.890 -0.180 18091 270 1 1 . 1 1 50 50 LYS N N 568 116.040 116.040 116.328 -0.288 18091 271 1 1 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.026 -0.066 18091 272 1 1 . 1 1 50 50 LYS C C 568 176.220 176.220 177.361 -1.141 18091 273 1 1 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.661 -0.271 18091 274 1 1 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.452 -0.231 18091 275 1 1 . 1 1 50 50 LYS H H 568 7.140 7.140 7.514 -0.374 18091 276 1 1 . 1 1 51 51 ASN N N 569 119.600 119.600 119.069 0.531 18091 277 1 1 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.748 0.272 18091 278 1 1 . 1 1 51 51 ASN C C 569 173.920 173.920 175.336 -1.416 18091 279 1 1 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.500 -2.550 18091 280 1 1 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.993 -0.993 18091 281 1 1 . 1 1 51 51 ASN H H 569 7.480 7.480 7.526 -0.046 18091 282 1 1 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.270 -0.010 18091 283 1 1 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.802 -0.692 18091 284 1 1 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.083 0.187 18091 285 1 1 . 1 1 53 53 GLU N N 571 116.870 116.870 118.196 -1.326 18091 286 1 1 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.173 -0.103 18091 287 1 1 . 1 1 53 53 GLU C C 571 178.830 178.830 179.023 -0.193 18091 288 1 1 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.346 -0.466 18091 289 1 1 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.751 -0.321 18091 290 1 1 . 1 1 53 53 GLU H H 571 7.960 7.960 7.976 -0.016 18091 291 1 1 . 1 1 54 54 VAL N N 572 118.290 118.290 119.201 -0.911 18091 292 1 1 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.819 -0.159 18091 293 1 1 . 1 1 54 54 VAL C C 572 177.620 177.620 177.717 -0.097 18091 294 1 1 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.893 -0.793 18091 295 1 1 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.555 0.655 18091 296 1 1 . 1 1 54 54 VAL H H 572 7.330 7.330 7.568 -0.238 18091 297 1 1 . 1 1 55 55 PHE N N 573 121.090 121.090 122.295 -1.205 18091 298 1 1 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.120 -0.230 18091 299 1 1 . 1 1 55 55 PHE C C 573 176.760 176.760 176.970 -0.210 18091 300 1 1 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.311 -0.081 18091 301 1 1 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.821 -0.201 18091 302 1 1 . 1 1 55 55 PHE H H 573 8.700 8.700 9.011 -0.311 18091 303 1 1 . 1 1 56 56 LYS N N 574 116.910 116.910 118.132 -1.222 18091 304 1 1 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.756 0.034 18091 305 1 1 . 1 1 56 56 LYS C C 574 178.980 178.980 179.047 -0.067 18091 306 1 1 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.465 0.015 18091 307 1 1 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.269 -0.069 18091 308 1 1 . 1 1 56 56 LYS H H 574 7.800 7.800 7.715 0.085 18091 309 1 1 . 1 1 57 57 LYS N N 575 119.120 119.120 119.756 -0.636 18091 310 1 1 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.000 -0.090 18091 311 1 1 . 1 1 57 57 LYS C C 575 178.520 178.520 179.036 -0.516 18091 312 1 1 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.555 0.395 18091 313 1 1 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.370 0.690 18091 314 1 1 . 1 1 57 57 LYS H H 575 7.170 7.170 7.264 -0.094 18091 315 1 1 . 1 1 58 58 ILE N N 576 119.180 119.180 119.450 -0.270 18091 316 1 1 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.722 -0.402 18091 317 1 1 . 1 1 58 58 ILE C C 576 177.820 177.820 178.275 -0.455 18091 318 1 1 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.321 0.209 18091 319 1 1 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.027 -0.777 18091 320 1 1 . 1 1 58 58 ILE H H 576 8.300 8.300 8.430 -0.130 18091 321 1 1 . 1 1 59 59 GLN N N 577 118.000 118.000 118.305 -0.305 18091 322 1 1 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.843 -0.173 18091 323 1 1 . 1 1 59 59 GLN C C 577 179.250 179.250 178.539 0.711 18091 324 1 1 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.005 0.114 18091 325 1 1 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.236 -0.396 18091 326 1 1 . 1 1 59 59 GLN H H 577 8.180 8.180 7.922 0.258 18091 327 1 1 . 1 1 60 60 THR N N 578 118.670 118.670 117.135 1.535 18091 328 1 1 . 1 1 60 60 THR HA H 578 3.760 3.760 3.970 -0.210 18091 329 1 1 . 1 1 60 60 THR C C 578 176.060 176.060 176.507 -0.447 18091 330 1 1 . 1 1 60 60 THR CA C 578 66.890 66.890 66.678 0.212 18091 331 1 1 . 1 1 60 60 THR CB C 578 68.030 68.030 68.260 -0.230 18091 332 1 1 . 1 1 60 60 THR H H 578 7.780 7.780 7.660 0.120 18091 333 1 1 . 1 1 61 61 LEU N N 579 120.680 120.680 120.648 0.032 18091 334 1 1 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.029 -0.179 18091 335 1 1 . 1 1 61 61 LEU C C 579 179.590 179.590 178.619 0.971 18091 336 1 1 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.678 -0.028 18091 337 1 1 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.364 -0.384 18091 338 1 1 . 1 1 61 61 LEU H H 579 7.620 7.620 7.370 0.250 18091 339 1 1 . 1 1 62 62 ILE N N 580 122.880 122.880 120.838 2.042 18091 340 1 1 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.882 0.148 18091 341 1 1 . 1 1 62 62 ILE C C 580 180.260 180.260 179.144 1.116 18091 342 1 1 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.055 -0.325 18091 343 1 1 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.713 0.597 18091 344 1 1 . 1 1 62 62 ILE H H 580 8.540 8.540 7.584 0.956 18091 345 1 1 . 1 1 63 63 ALA N N 581 124.510 124.510 122.978 1.532 18091 346 1 1 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.043 -0.073 18091 347 1 1 . 1 1 63 63 ALA C C 581 179.000 179.000 178.490 0.510 18091 348 1 1 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.709 0.131 18091 349 1 1 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.236 -0.737 18091 350 1 1 . 1 1 63 63 ALA H H 581 8.120 8.120 8.055 0.065 18091 351 1 1 . 1 1 64 64 ALA N N 582 116.250 116.250 118.392 -2.142 18091 352 1 1 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.267 -0.127 18091 353 1 1 . 1 1 64 64 ALA C C 582 177.040 177.040 178.081 -1.041 18091 354 1 1 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.159 0.021 18091 355 1 1 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.270 0.590 18091 356 1 1 . 1 1 64 64 ALA H H 582 7.470 7.470 7.436 0.034 18091 357 1 1 . 1 1 65 65 GLY N N 583 104.540 104.540 107.112 -2.572 18091 358 1 1 . 1 1 65 65 GLY C C 583 174.180 174.180 175.335 -1.155 18091 359 1 1 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.127 -1.337 18091 360 1 1 . 1 1 65 65 GLY H H 583 7.600 7.600 7.742 -0.142 18091 361 1 1 . 1 1 66 66 ILE N N 584 118.630 118.630 117.668 0.962 18091 362 1 1 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.222 -0.462 18091 363 1 1 . 1 1 66 66 ILE C C 584 175.660 175.660 175.076 0.584 18091 364 1 1 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.656 -1.106 18091 365 1 1 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.829 -1.219 18091 366 1 1 . 1 1 66 66 ILE H H 584 7.590 7.590 7.902 -0.312 18091 367 1 1 . 1 1 67 67 ILE N N 585 116.360 116.360 117.624 -1.264 18091 368 1 1 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.409 -0.239 18091 369 1 1 . 1 1 67 67 ILE C C 585 174.370 174.370 174.593 -0.223 18091 370 1 1 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.044 -0.564 18091 371 1 1 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.039 -1.409 18091 372 1 1 . 1 1 67 67 ILE H H 585 6.490 6.490 7.284 -0.794 18091 373 1 1 . 1 1 68 68 ARG N N 586 125.450 125.450 126.199 -0.749 18091 374 1 1 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.611 -0.231 18091 375 1 1 . 1 1 68 68 ARG C C 586 175.720 175.720 176.116 -0.396 18091 376 1 1 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.253 -1.333 18091 377 1 1 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.892 0.428 18091 378 1 1 . 1 1 68 68 ARG H H 586 8.500 8.500 8.664 -0.164 18091 379 1 1 . 1 1 69 69 THR N N 587 113.710 113.710 117.084 -3.374 18091 380 1 1 . 1 1 69 69 THR HA H 587 4.300 4.300 4.470 -0.170 18091 381 1 1 . 1 1 69 69 THR C C 587 174.760 174.760 175.213 -0.453 18091 382 1 1 . 1 1 69 69 THR CA C 587 61.300 61.300 61.370 -0.070 18091 383 1 1 . 1 1 69 69 THR CB C 587 69.720 69.720 69.362 0.357 18091 384 1 1 . 1 1 69 69 THR H H 587 8.250 8.250 8.750 -0.500 18091 385 1 1 . 1 1 70 70 GLY N N 588 110.720 110.720 109.434 1.286 18091 386 1 1 . 1 1 70 70 GLY C C 588 172.820 172.820 173.574 -0.754 18091 387 1 1 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.474 0.686 18091 388 1 1 . 1 1 70 70 GLY H H 588 8.230 8.230 7.862 0.368 18091 389 1 2 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.545 -0.315 18091 390 1 2 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.902 0.348 18091 391 1 2 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.626 -0.666 18091 392 1 2 . 1 1 3 3 GLY N N 521 109.400 109.400 109.366 0.034 18091 393 1 2 . 1 1 3 3 GLY C C 521 174.300 174.300 174.887 -0.587 18091 394 1 2 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.930 0.250 18091 395 1 2 . 1 1 3 3 GLY H H 521 8.490 8.490 8.320 0.170 18091 396 1 2 . 1 1 4 4 THR N N 522 112.480 112.480 111.240 1.240 18091 397 1 2 . 1 1 4 4 THR HA H 522 4.300 4.300 4.335 -0.035 18091 398 1 2 . 1 1 4 4 THR C C 522 174.690 174.690 176.261 -1.571 18091 399 1 2 . 1 1 4 4 THR CA C 522 61.240 61.240 63.500 -2.260 18091 400 1 2 . 1 1 4 4 THR CB C 522 69.960 69.960 69.237 0.723 18091 401 1 2 . 1 1 4 4 THR H H 522 7.860 7.860 8.212 -0.352 18091 402 1 2 . 1 1 5 5 SER N N 523 117.450 117.450 117.021 0.429 18091 403 1 2 . 1 1 5 5 SER HA H 523 3.890 3.890 4.247 -0.357 18091 404 1 2 . 1 1 5 5 SER C C 523 173.320 173.320 176.038 -2.718 18091 405 1 2 . 1 1 5 5 SER CA C 523 58.460 58.460 60.353 -1.893 18091 406 1 2 . 1 1 5 5 SER CB C 523 63.690 63.690 63.190 0.500 18091 407 1 2 . 1 1 5 5 SER H H 523 8.300 8.300 7.948 0.352 18091 408 1 2 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.592 -0.242 18091 409 1 2 . 1 1 6 6 ASN C C 524 174.670 174.670 174.677 -0.007 18091 410 1 2 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.764 -0.704 18091 411 1 2 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.834 -0.124 18091 412 1 2 . 1 1 7 7 GLU N N 525 120.970 120.970 115.297 5.673 18091 413 1 2 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.047 0.293 18091 414 1 2 . 1 1 7 7 GLU C C 525 176.900 176.900 174.953 1.947 18091 415 1 2 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.485 -1.445 18091 416 1 2 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.577 1.493 18091 417 1 2 . 1 1 7 7 GLU H H 525 7.970 7.970 7.604 0.366 18091 418 1 2 . 1 1 8 8 THR N N 526 116.960 116.960 111.504 5.456 18091 419 1 2 . 1 1 8 8 THR HA H 526 4.540 4.540 4.789 -0.249 18091 420 1 2 . 1 1 8 8 THR C C 526 173.410 173.410 173.286 0.124 18091 421 1 2 . 1 1 8 8 THR CA C 526 60.080 60.080 59.902 0.178 18091 422 1 2 . 1 1 8 8 THR CB C 526 68.500 68.500 69.420 -0.920 18091 423 1 2 . 1 1 8 8 THR H H 526 8.630 8.630 8.382 0.248 18091 424 1 2 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.332 -0.142 18091 425 1 2 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.402 0.708 18091 426 1 2 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.143 -0.563 18091 427 1 2 . 1 1 10 10 GLU N N 528 118.610 118.610 117.390 1.220 18091 428 1 2 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.898 0.082 18091 429 1 2 . 1 1 10 10 GLU C C 528 178.550 178.550 178.526 0.024 18091 430 1 2 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.570 0.010 18091 431 1 2 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.234 -0.244 18091 432 1 2 . 1 1 10 10 GLU H H 528 8.550 8.550 8.892 -0.342 18091 433 1 2 . 1 1 11 11 GLU N N 529 121.090 121.090 118.929 2.161 18091 434 1 2 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.101 -0.171 18091 435 1 2 . 1 1 11 11 GLU C C 529 179.470 179.470 178.892 0.578 18091 436 1 2 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.344 -0.394 18091 437 1 2 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.555 -0.075 18091 438 1 2 . 1 1 11 11 GLU H H 529 7.870 7.870 7.618 0.252 18091 439 1 2 . 1 1 12 12 THR N N 530 118.050 118.050 116.756 1.294 18091 440 1 2 . 1 1 12 12 THR HA H 530 3.750 3.750 4.058 -0.308 18091 441 1 2 . 1 1 12 12 THR C C 530 175.770 175.770 176.678 -0.908 18091 442 1 2 . 1 1 12 12 THR CA C 530 66.320 66.320 67.429 -1.109 18091 443 1 2 . 1 1 12 12 THR CB C 530 68.430 68.430 68.819 -0.389 18091 444 1 2 . 1 1 12 12 THR H H 530 8.390 8.390 7.476 0.914 18091 445 1 2 . 1 1 13 13 TYR N N 531 122.280 122.280 121.041 1.239 18091 446 1 2 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.087 -0.267 18091 447 1 2 . 1 1 13 13 TYR C C 531 176.420 176.420 178.202 -1.782 18091 448 1 2 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.774 -0.334 18091 449 1 2 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.480 0.630 18091 450 1 2 . 1 1 13 13 TYR H H 531 8.050 8.050 8.125 -0.075 18091 451 1 2 . 1 1 14 14 GLN N N 532 116.250 116.250 118.096 -1.846 18091 452 1 2 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.917 -0.227 18091 453 1 2 . 1 1 14 14 GLN C C 532 178.800 178.800 178.370 0.430 18091 454 1 2 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.025 -0.405 18091 455 1 2 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.463 -0.403 18091 456 1 2 . 1 1 14 14 GLN H H 532 8.010 8.010 7.913 0.097 18091 457 1 2 . 1 1 15 15 ARG N N 533 118.730 118.730 119.792 -1.062 18091 458 1 2 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.012 -0.092 18091 459 1 2 . 1 1 15 15 ARG C C 533 179.030 179.030 178.903 0.127 18091 460 1 2 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.134 0.006 18091 461 1 2 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.226 -0.426 18091 462 1 2 . 1 1 15 15 ARG H H 533 7.800 7.800 7.854 -0.054 18091 463 1 2 . 1 1 16 16 ALA N N 534 123.500 123.500 121.637 1.863 18091 464 1 2 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.993 -0.033 18091 465 1 2 . 1 1 16 16 ALA C C 534 178.860 178.860 179.763 -0.903 18091 466 1 2 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.854 -0.184 18091 467 1 2 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.396 0.334 18091 468 1 2 . 1 1 16 16 ALA H H 534 8.210 8.210 7.904 0.306 18091 469 1 2 . 1 1 17 17 MET N N 535 111.910 111.910 115.417 -3.507 18091 470 1 2 . 1 1 17 17 MET HA H 535 4.020 4.020 4.176 -0.156 18091 471 1 2 . 1 1 17 17 MET C C 535 176.890 176.890 177.512 -0.622 18091 472 1 2 . 1 1 17 17 MET CA C 535 55.200 55.200 57.286 -2.086 18091 473 1 2 . 1 1 17 17 MET CB C 535 31.110 31.110 31.776 -0.665 18091 474 1 2 . 1 1 17 17 MET H H 535 7.480 7.480 7.971 -0.491 18091 475 1 2 . 1 1 18 18 LYS N N 536 116.840 116.840 116.784 0.056 18091 476 1 2 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.159 -0.169 18091 477 1 2 . 1 1 18 18 LYS C C 536 176.690 176.690 176.601 0.089 18091 478 1 2 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.129 -0.539 18091 479 1 2 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.509 -0.169 18091 480 1 2 . 1 1 18 18 LYS H H 536 7.180 7.180 7.260 -0.080 18091 481 1 2 . 1 1 19 19 ASP N N 537 122.680 122.680 120.897 1.783 18091 482 1 2 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.866 -0.066 18091 483 1 2 . 1 1 19 19 ASP C C 537 174.720 174.720 175.389 -0.669 18091 484 1 2 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.923 0.167 18091 485 1 2 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.225 0.745 18091 486 1 2 . 1 1 19 19 ASP H H 537 7.530 7.530 7.593 -0.063 18091 487 1 2 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.244 -0.104 18091 488 1 2 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.687 0.063 18091 489 1 2 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.113 0.007 18091 490 1 2 . 1 1 21 21 GLU N N 539 118.590 118.590 118.184 0.406 18091 491 1 2 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.052 -0.042 18091 492 1 2 . 1 1 21 21 GLU C C 539 179.010 179.010 178.962 0.048 18091 493 1 2 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.058 -0.208 18091 494 1 2 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.273 0.067 18091 495 1 2 . 1 1 21 21 GLU H H 539 8.200 8.200 7.862 0.338 18091 496 1 2 . 1 1 22 22 VAL N N 540 120.690 120.690 120.438 0.252 18091 497 1 2 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.499 -0.269 18091 498 1 2 . 1 1 22 22 VAL C C 540 177.740 177.740 177.644 0.096 18091 499 1 2 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.448 -0.358 18091 500 1 2 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.552 -0.202 18091 501 1 2 . 1 1 22 22 VAL H H 540 7.350 7.350 7.853 -0.503 18091 502 1 2 . 1 1 23 23 ALA N N 541 121.460 121.460 121.766 -0.306 18091 503 1 2 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.924 -0.154 18091 504 1 2 . 1 1 23 23 ALA C C 541 179.660 179.660 179.107 0.553 18091 505 1 2 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.102 0.288 18091 506 1 2 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.049 -0.340 18091 507 1 2 . 1 1 23 23 ALA H H 541 8.430 8.430 7.461 0.969 18091 508 1 2 . 1 1 24 24 ALA N N 542 117.000 117.000 121.119 -4.119 18091 509 1 2 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.105 -0.165 18091 510 1 2 . 1 1 24 24 ALA C C 542 180.880 180.880 179.312 1.568 18091 511 1 2 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.670 0.029 18091 512 1 2 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.437 -0.487 18091 513 1 2 . 1 1 24 24 ALA H H 542 7.380 7.380 7.555 -0.175 18091 514 1 2 . 1 1 25 25 ILE N N 543 119.750 119.750 117.816 1.934 18091 515 1 2 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.778 -0.088 18091 516 1 2 . 1 1 25 25 ILE C C 543 177.450 177.450 177.208 0.242 18091 517 1 2 . 1 1 25 25 ILE CA C 543 64.960 64.960 63.859 1.101 18091 518 1 2 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.110 0.170 18091 519 1 2 . 1 1 25 25 ILE H H 543 7.380 7.380 7.367 0.013 18091 520 1 2 . 1 1 26 26 MET N N 544 113.830 113.830 115.250 -1.420 18091 521 1 2 . 1 1 26 26 MET HA H 544 4.140 4.140 4.104 0.036 18091 522 1 2 . 1 1 26 26 MET C C 544 177.680 177.680 177.065 0.615 18091 523 1 2 . 1 1 26 26 MET CA C 544 55.660 55.660 58.072 -2.412 18091 524 1 2 . 1 1 26 26 MET CB C 544 30.690 30.690 33.008 -2.318 18091 525 1 2 . 1 1 26 26 MET H H 544 7.870 7.870 7.588 0.282 18091 526 1 2 . 1 1 27 27 GLN N N 545 115.210 115.210 116.390 -1.180 18091 527 1 2 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.336 -0.256 18091 528 1 2 . 1 1 27 27 GLN C C 545 175.170 175.170 174.980 0.190 18091 529 1 2 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.773 -0.333 18091 530 1 2 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.810 -0.820 18091 531 1 2 . 1 1 27 27 GLN H H 545 7.340 7.340 7.439 -0.099 18091 532 1 2 . 1 1 28 28 ASP N N 546 123.270 123.270 117.881 5.389 18091 533 1 2 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.528 0.192 18091 534 1 2 . 1 1 28 28 ASP C C 546 175.220 175.220 175.543 -0.323 18091 535 1 2 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.059 -2.719 18091 536 1 2 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.190 1.190 18091 537 1 2 . 1 1 28 28 ASP H H 546 7.320 7.320 8.441 -1.121 18091 538 1 2 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.358 -0.238 18091 539 1 2 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.186 0.734 18091 540 1 2 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.474 -0.214 18091 541 1 2 . 1 1 30 30 VAL N N 548 119.870 119.870 119.877 -0.007 18091 542 1 2 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.659 -0.079 18091 543 1 2 . 1 1 30 30 VAL C C 548 179.010 179.010 177.903 1.107 18091 544 1 2 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.285 -0.285 18091 545 1 2 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.407 -0.297 18091 546 1 2 . 1 1 30 30 VAL H H 548 8.000 8.000 7.871 0.129 18091 547 1 2 . 1 1 31 31 MET N N 549 118.270 118.270 117.106 1.164 18091 548 1 2 . 1 1 31 31 MET HA H 549 4.340 4.340 3.921 0.419 18091 549 1 2 . 1 1 31 31 MET C C 549 178.830 178.830 178.333 0.497 18091 550 1 2 . 1 1 31 31 MET CA C 549 55.140 55.140 59.405 -4.265 18091 551 1 2 . 1 1 31 31 MET CB C 549 28.840 28.840 32.146 -3.306 18091 552 1 2 . 1 1 31 31 MET H H 549 7.250 7.250 7.799 -0.549 18091 553 1 2 . 1 1 32 32 GLN N N 550 118.190 118.190 118.642 -0.452 18091 554 1 2 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.931 -0.191 18091 555 1 2 . 1 1 32 32 GLN C C 550 178.840 178.840 178.494 0.346 18091 556 1 2 . 1 1 32 32 GLN CA C 550 59.420 59.420 58.999 0.421 18091 557 1 2 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.199 -0.539 18091 558 1 2 . 1 1 32 32 GLN H H 550 8.310 8.310 7.983 0.327 18091 559 1 2 . 1 1 33 33 SER N N 551 114.010 114.010 115.324 -1.314 18091 560 1 2 . 1 1 33 33 SER HA H 551 4.140 4.140 4.196 -0.056 18091 561 1 2 . 1 1 33 33 SER C C 551 176.840 176.840 176.478 0.362 18091 562 1 2 . 1 1 33 33 SER CA C 551 61.330 61.330 61.575 -0.245 18091 563 1 2 . 1 1 33 33 SER CB C 551 62.450 62.450 63.026 -0.576 18091 564 1 2 . 1 1 33 33 SER H H 551 7.570 7.570 7.546 0.024 18091 565 1 2 . 1 1 34 34 ILE N N 552 123.490 123.490 122.341 1.149 18091 566 1 2 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.563 -0.283 18091 567 1 2 . 1 1 34 34 ILE C C 552 177.630 177.630 178.104 -0.474 18091 568 1 2 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.213 0.467 18091 569 1 2 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.547 0.173 18091 570 1 2 . 1 1 34 34 ILE H H 552 7.600 7.600 7.565 0.035 18091 571 1 2 . 1 1 35 35 LEU N N 553 119.520 119.520 119.566 -0.046 18091 572 1 2 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.794 -0.044 18091 573 1 2 . 1 1 35 35 LEU C C 553 179.440 179.440 179.264 0.176 18091 574 1 2 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.137 -0.187 18091 575 1 2 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.284 -0.584 18091 576 1 2 . 1 1 35 35 LEU H H 553 8.330 8.330 7.706 0.624 18091 577 1 2 . 1 1 36 36 GLN N N 554 118.590 118.590 117.515 1.075 18091 578 1 2 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.887 0.033 18091 579 1 2 . 1 1 36 36 GLN C C 554 178.560 178.560 178.795 -0.235 18091 580 1 2 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.166 -0.506 18091 581 1 2 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.478 -0.418 18091 582 1 2 . 1 1 36 36 GLN H H 554 7.800 7.800 7.825 -0.025 18091 583 1 2 . 1 1 37 37 GLN N N 555 119.520 119.520 119.020 0.500 18091 584 1 2 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.041 -0.111 18091 585 1 2 . 1 1 37 37 GLN C C 555 178.400 178.400 178.635 -0.235 18091 586 1 2 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.778 -0.248 18091 587 1 2 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.759 0.031 18091 588 1 2 . 1 1 37 37 GLN H H 555 7.990 7.990 8.115 -0.125 18091 589 1 2 . 1 1 38 38 ALA N N 556 120.730 120.730 120.856 -0.126 18091 590 1 2 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.291 -0.181 18091 591 1 2 . 1 1 38 38 ALA C C 556 178.310 178.310 179.244 -0.934 18091 592 1 2 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.487 -0.987 18091 593 1 2 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.299 0.071 18091 594 1 2 . 1 1 38 38 ALA H H 556 8.310 8.310 8.195 0.115 18091 595 1 2 . 1 1 39 39 GLN N N 557 115.600 115.600 118.558 -2.958 18091 596 1 2 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.070 -0.110 18091 597 1 2 . 1 1 39 39 GLN C C 557 177.260 177.260 178.315 -1.055 18091 598 1 2 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.270 -0.350 18091 599 1 2 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.821 -0.341 18091 600 1 2 . 1 1 39 39 GLN H H 557 7.530 7.530 7.753 -0.223 18091 601 1 2 . 1 1 40 40 GLN N N 558 115.310 115.310 116.167 -0.857 18091 602 1 2 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.213 -0.033 18091 603 1 2 . 1 1 40 40 GLN C C 558 176.030 176.030 176.157 -0.127 18091 604 1 2 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.251 -0.701 18091 605 1 2 . 1 1 40 40 GLN CB C 558 29.320 29.320 30.032 -0.712 18091 606 1 2 . 1 1 40 40 GLN H H 558 7.350 7.350 7.660 -0.310 18091 607 1 2 . 1 1 41 41 ASN N N 559 114.850 114.850 115.998 -1.148 18091 608 1 2 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.043 -0.093 18091 609 1 2 . 1 1 41 41 ASN C C 559 172.420 172.420 173.496 -1.076 18091 610 1 2 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.465 -1.035 18091 611 1 2 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.666 -1.786 18091 612 1 2 . 1 1 41 41 ASN H H 559 7.900 7.900 7.971 -0.071 18091 613 1 2 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.448 -0.118 18091 614 1 2 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.614 0.386 18091 615 1 2 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.106 -0.426 18091 616 1 2 . 1 1 43 43 ALA N N 561 119.920 119.920 121.591 -1.671 18091 617 1 2 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.111 0.019 18091 618 1 2 . 1 1 43 43 ALA C C 561 179.510 179.510 179.116 0.394 18091 619 1 2 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.760 -0.710 18091 620 1 2 . 1 1 43 43 ALA CB C 561 18.050 18.050 17.974 0.076 18091 621 1 2 . 1 1 43 43 ALA H H 561 7.850 7.850 7.695 0.155 18091 622 1 2 . 1 1 44 44 ALA N N 562 120.790 120.790 120.649 0.141 18091 623 1 2 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.358 -0.338 18091 624 1 2 . 1 1 44 44 ALA C C 562 179.570 179.570 179.068 0.502 18091 625 1 2 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.490 -0.370 18091 626 1 2 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.678 -0.478 18091 627 1 2 . 1 1 44 44 ALA H H 562 7.980 7.980 7.695 0.285 18091 628 1 2 . 1 1 45 45 LEU N N 563 116.420 116.420 116.875 -0.455 18091 629 1 2 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.436 -0.456 18091 630 1 2 . 1 1 45 45 LEU C C 563 178.220 178.220 178.664 -0.444 18091 631 1 2 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.361 0.279 18091 632 1 2 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.372 0.318 18091 633 1 2 . 1 1 45 45 LEU H H 563 7.510 7.510 7.369 0.141 18091 634 1 2 . 1 1 46 46 GLN N N 564 115.510 115.510 119.177 -3.667 18091 635 1 2 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.961 -0.101 18091 636 1 2 . 1 1 46 46 GLN C C 564 178.300 178.300 178.382 -0.082 18091 637 1 2 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.396 -0.676 18091 638 1 2 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.398 -0.378 18091 639 1 2 . 1 1 46 46 GLN H H 564 7.510 7.510 7.697 -0.187 18091 640 1 2 . 1 1 47 47 GLU N N 565 117.680 117.680 118.562 -0.882 18091 641 1 2 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091 642 1 2 . 1 1 47 47 GLU C C 565 179.070 179.070 179.114 -0.044 18091 643 1 2 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.944 -0.564 18091 644 1 2 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.987 0.003 18091 645 1 2 . 1 1 47 47 GLU H H 565 7.440 7.440 7.804 -0.364 18091 646 1 2 . 1 1 48 48 HIS N N 566 118.220 118.220 119.188 -0.968 18091 647 1 2 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.301 0.079 18091 648 1 2 . 1 1 48 48 HIS C C 566 177.280 177.280 176.785 0.495 18091 649 1 2 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.875 -0.015 18091 650 1 2 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.750 1.690 18091 651 1 2 . 1 1 48 48 HIS H H 566 7.420 7.420 7.640 -0.220 18091 652 1 2 . 1 1 49 49 MET N N 567 115.200 115.200 117.715 -2.515 18091 653 1 2 . 1 1 49 49 MET HA H 567 3.840 3.840 4.248 -0.408 18091 654 1 2 . 1 1 49 49 MET C C 567 175.260 175.260 178.117 -2.857 18091 655 1 2 . 1 1 49 49 MET CA C 567 57.840 57.840 58.509 -0.669 18091 656 1 2 . 1 1 49 49 MET CB C 567 33.080 33.080 32.752 0.329 18091 657 1 2 . 1 1 49 49 MET H H 567 7.710 7.710 7.869 -0.159 18091 658 1 2 . 1 1 50 50 LYS N N 568 116.040 116.040 117.239 -1.199 18091 659 1 2 . 1 1 50 50 LYS HA H 568 3.960 3.960 3.983 -0.023 18091 660 1 2 . 1 1 50 50 LYS C C 568 176.220 176.220 177.352 -1.132 18091 661 1 2 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.791 -0.402 18091 662 1 2 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.421 -0.201 18091 663 1 2 . 1 1 50 50 LYS H H 568 7.140 7.140 7.624 -0.484 18091 664 1 2 . 1 1 51 51 ASN N N 569 119.600 119.600 119.237 0.363 18091 665 1 2 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.709 0.311 18091 666 1 2 . 1 1 51 51 ASN C C 569 173.920 173.920 175.076 -1.156 18091 667 1 2 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.105 -2.155 18091 668 1 2 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.491 -0.491 18091 669 1 2 . 1 1 51 51 ASN H H 569 7.480 7.480 7.687 -0.207 18091 670 1 2 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.278 -0.018 18091 671 1 2 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.906 -0.796 18091 672 1 2 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.139 0.131 18091 673 1 2 . 1 1 53 53 GLU N N 571 116.870 116.870 119.300 -2.430 18091 674 1 2 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.160 -0.090 18091 675 1 2 . 1 1 53 53 GLU C C 571 178.830 178.830 179.143 -0.313 18091 676 1 2 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.598 -0.718 18091 677 1 2 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.371 0.059 18091 678 1 2 . 1 1 53 53 GLU H H 571 7.960 7.960 8.755 -0.795 18091 679 1 2 . 1 1 54 54 VAL N N 572 118.290 118.290 119.561 -1.271 18091 680 1 2 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.772 -0.112 18091 681 1 2 . 1 1 54 54 VAL C C 572 177.620 177.620 177.777 -0.157 18091 682 1 2 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.690 -0.590 18091 683 1 2 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.663 0.547 18091 684 1 2 . 1 1 54 54 VAL H H 572 7.330 7.330 7.816 -0.486 18091 685 1 2 . 1 1 55 55 PHE N N 573 121.090 121.090 121.955 -0.865 18091 686 1 2 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.228 -0.338 18091 687 1 2 . 1 1 55 55 PHE C C 573 176.760 176.760 177.055 -0.295 18091 688 1 2 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.401 0.829 18091 689 1 2 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.954 -0.334 18091 690 1 2 . 1 1 55 55 PHE H H 573 8.700 8.700 8.821 -0.121 18091 691 1 2 . 1 1 56 56 LYS N N 574 116.910 116.910 118.535 -1.625 18091 692 1 2 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.730 0.060 18091 693 1 2 . 1 1 56 56 LYS C C 574 178.980 178.980 178.949 0.031 18091 694 1 2 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.558 -0.078 18091 695 1 2 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.240 -0.040 18091 696 1 2 . 1 1 56 56 LYS H H 574 7.800 7.800 7.758 0.042 18091 697 1 2 . 1 1 57 57 LYS N N 575 119.120 119.120 119.557 -0.437 18091 698 1 2 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.986 -0.076 18091 699 1 2 . 1 1 57 57 LYS C C 575 178.520 178.520 179.081 -0.561 18091 700 1 2 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.539 0.411 18091 701 1 2 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.378 0.682 18091 702 1 2 . 1 1 57 57 LYS H H 575 7.170 7.170 7.243 -0.073 18091 703 1 2 . 1 1 58 58 ILE N N 576 119.180 119.180 118.950 0.230 18091 704 1 2 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091 705 1 2 . 1 1 58 58 ILE C C 576 177.820 177.820 178.193 -0.373 18091 706 1 2 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.887 0.643 18091 707 1 2 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.929 -0.679 18091 708 1 2 . 1 1 58 58 ILE H H 576 8.300 8.300 8.420 -0.120 18091 709 1 2 . 1 1 59 59 GLN N N 577 118.000 118.000 118.725 -0.725 18091 710 1 2 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.794 -0.124 18091 711 1 2 . 1 1 59 59 GLN C C 577 179.250 179.250 178.326 0.924 18091 712 1 2 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.373 -0.253 18091 713 1 2 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.277 -0.437 18091 714 1 2 . 1 1 59 59 GLN H H 577 8.180 8.180 7.767 0.413 18091 715 1 2 . 1 1 60 60 THR N N 578 118.670 118.670 116.931 1.739 18091 716 1 2 . 1 1 60 60 THR HA H 578 3.760 3.760 3.937 -0.177 18091 717 1 2 . 1 1 60 60 THR C C 578 176.060 176.060 176.470 -0.410 18091 718 1 2 . 1 1 60 60 THR CA C 578 66.890 66.890 66.669 0.221 18091 719 1 2 . 1 1 60 60 THR CB C 578 68.030 68.030 68.249 -0.219 18091 720 1 2 . 1 1 60 60 THR H H 578 7.780 7.780 7.619 0.161 18091 721 1 2 . 1 1 61 61 LEU N N 579 120.680 120.680 120.528 0.152 18091 722 1 2 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.963 -0.113 18091 723 1 2 . 1 1 61 61 LEU C C 579 179.590 179.590 178.613 0.977 18091 724 1 2 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.670 -0.020 18091 725 1 2 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.311 -0.331 18091 726 1 2 . 1 1 61 61 LEU H H 579 7.620 7.620 7.294 0.326 18091 727 1 2 . 1 1 62 62 ILE N N 580 122.880 122.880 120.480 2.400 18091 728 1 2 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.725 0.305 18091 729 1 2 . 1 1 62 62 ILE C C 580 180.260 180.260 179.092 1.168 18091 730 1 2 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.940 -0.210 18091 731 1 2 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.701 0.609 18091 732 1 2 . 1 1 62 62 ILE H H 580 8.540 8.540 7.544 0.996 18091 733 1 2 . 1 1 63 63 ALA N N 581 124.510 124.510 122.912 1.598 18091 734 1 2 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.036 -0.066 18091 735 1 2 . 1 1 63 63 ALA C C 581 179.000 179.000 178.756 0.244 18091 736 1 2 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.745 0.095 18091 737 1 2 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.314 -0.814 18091 738 1 2 . 1 1 63 63 ALA H H 581 8.120 8.120 8.033 0.087 18091 739 1 2 . 1 1 64 64 ALA N N 582 116.250 116.250 118.485 -2.235 18091 740 1 2 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.241 -0.101 18091 741 1 2 . 1 1 64 64 ALA C C 582 177.040 177.040 177.652 -0.612 18091 742 1 2 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.768 0.412 18091 743 1 2 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.886 0.974 18091 744 1 2 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091 745 1 2 . 1 1 65 65 GLY N N 583 104.540 104.540 106.147 -1.607 18091 746 1 2 . 1 1 65 65 GLY C C 583 174.180 174.180 175.028 -0.848 18091 747 1 2 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.904 -1.114 18091 748 1 2 . 1 1 65 65 GLY H H 583 7.600 7.600 7.644 -0.044 18091 749 1 2 . 1 1 66 66 ILE N N 584 118.630 118.630 117.553 1.077 18091 750 1 2 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.750 0.010 18091 751 1 2 . 1 1 66 66 ILE C C 584 175.660 175.660 175.454 0.206 18091 752 1 2 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.523 -0.973 18091 753 1 2 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.372 -0.762 18091 754 1 2 . 1 1 66 66 ILE H H 584 7.590 7.590 7.633 -0.043 18091 755 1 2 . 1 1 67 67 ILE N N 585 116.360 116.360 119.095 -2.735 18091 756 1 2 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.321 -0.151 18091 757 1 2 . 1 1 67 67 ILE C C 585 174.370 174.370 174.663 -0.293 18091 758 1 2 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.022 -0.542 18091 759 1 2 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.981 -1.351 18091 760 1 2 . 1 1 67 67 ILE H H 585 6.490 6.490 7.258 -0.768 18091 761 1 2 . 1 1 68 68 ARG N N 586 125.450 125.450 125.772 -0.322 18091 762 1 2 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.595 -0.215 18091 763 1 2 . 1 1 68 68 ARG C C 586 175.720 175.720 175.799 -0.079 18091 764 1 2 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.114 -1.194 18091 765 1 2 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.781 0.539 18091 766 1 2 . 1 1 68 68 ARG H H 586 8.500 8.500 8.610 -0.110 18091 767 1 2 . 1 1 69 69 THR N N 587 113.710 113.710 114.443 -0.733 18091 768 1 2 . 1 1 69 69 THR HA H 587 4.300 4.300 4.745 -0.445 18091 769 1 2 . 1 1 69 69 THR C C 587 174.760 174.760 174.423 0.337 18091 770 1 2 . 1 1 69 69 THR CA C 587 61.300 61.300 61.338 -0.038 18091 771 1 2 . 1 1 69 69 THR CB C 587 69.720 69.720 70.489 -0.769 18091 772 1 2 . 1 1 69 69 THR H H 587 8.250 8.250 8.272 -0.022 18091 773 1 2 . 1 1 70 70 GLY N N 588 110.720 110.720 109.130 1.590 18091 774 1 2 . 1 1 70 70 GLY C C 588 172.820 172.820 173.104 -0.284 18091 775 1 2 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.047 1.113 18091 776 1 2 . 1 1 70 70 GLY H H 588 8.230 8.230 8.960 -0.730 18091 777 1 3 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.593 -0.363 18091 778 1 3 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.230 0.020 18091 779 1 3 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.544 -0.584 18091 780 1 3 . 1 1 3 3 GLY N N 521 109.400 109.400 110.262 -0.862 18091 781 1 3 . 1 1 3 3 GLY C C 521 174.300 174.300 173.849 0.451 18091 782 1 3 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.923 0.257 18091 783 1 3 . 1 1 3 3 GLY H H 521 8.490 8.490 8.466 0.024 18091 784 1 3 . 1 1 4 4 THR N N 522 112.480 112.480 112.458 0.022 18091 785 1 3 . 1 1 4 4 THR HA H 522 4.300 4.300 4.502 -0.202 18091 786 1 3 . 1 1 4 4 THR C C 522 174.690 174.690 174.837 -0.147 18091 787 1 3 . 1 1 4 4 THR CA C 522 61.240 61.240 60.891 0.349 18091 788 1 3 . 1 1 4 4 THR CB C 522 69.960 69.960 70.169 -0.209 18091 789 1 3 . 1 1 4 4 THR H H 522 7.860 7.860 7.885 -0.025 18091 790 1 3 . 1 1 5 5 SER N N 523 117.450 117.450 117.110 0.340 18091 791 1 3 . 1 1 5 5 SER HA H 523 3.890 3.890 4.579 -0.689 18091 792 1 3 . 1 1 5 5 SER C C 523 173.320 173.320 173.327 -0.007 18091 793 1 3 . 1 1 5 5 SER CA C 523 58.460 58.460 58.759 -0.299 18091 794 1 3 . 1 1 5 5 SER CB C 523 63.690 63.690 63.250 0.440 18091 795 1 3 . 1 1 5 5 SER H H 523 8.300 8.300 8.572 -0.272 18091 796 1 3 . 1 1 6 6 ASN HA H 524 4.350 4.350 5.042 -0.692 18091 797 1 3 . 1 1 6 6 ASN C C 524 174.670 174.670 173.744 0.926 18091 798 1 3 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.374 -0.314 18091 799 1 3 . 1 1 6 6 ASN CB C 524 38.710 38.710 37.990 0.720 18091 800 1 3 . 1 1 7 7 GLU N N 525 120.970 120.970 117.565 3.405 18091 801 1 3 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.544 -0.204 18091 802 1 3 . 1 1 7 7 GLU C C 525 176.900 176.900 175.585 1.315 18091 803 1 3 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.618 0.422 18091 804 1 3 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.783 -0.713 18091 805 1 3 . 1 1 7 7 GLU H H 525 7.970 7.970 7.406 0.564 18091 806 1 3 . 1 1 8 8 THR N N 526 116.960 116.960 109.198 7.762 18091 807 1 3 . 1 1 8 8 THR HA H 526 4.540 4.540 4.026 0.514 18091 808 1 3 . 1 1 8 8 THR C C 526 173.410 173.410 173.917 -0.507 18091 809 1 3 . 1 1 8 8 THR CA C 526 60.080 60.080 62.763 -2.683 18091 810 1 3 . 1 1 8 8 THR CB C 526 68.500 68.500 67.562 0.938 18091 811 1 3 . 1 1 8 8 THR H H 526 8.630 8.630 8.404 0.226 18091 812 1 3 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.261 -0.071 18091 813 1 3 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.276 -0.166 18091 814 1 3 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.662 -0.082 18091 815 1 3 . 1 1 10 10 GLU N N 528 118.610 118.610 117.907 0.703 18091 816 1 3 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.020 -0.040 18091 817 1 3 . 1 1 10 10 GLU C C 528 178.550 178.550 178.606 -0.056 18091 818 1 3 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.619 -0.039 18091 819 1 3 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.978 0.012 18091 820 1 3 . 1 1 10 10 GLU H H 528 8.550 8.550 7.889 0.661 18091 821 1 3 . 1 1 11 11 GLU N N 529 121.090 121.090 118.873 2.217 18091 822 1 3 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.063 -0.133 18091 823 1 3 . 1 1 11 11 GLU C C 529 179.470 179.470 178.324 1.146 18091 824 1 3 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.391 -0.441 18091 825 1 3 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.567 -0.087 18091 826 1 3 . 1 1 11 11 GLU H H 529 7.870 7.870 8.709 -0.839 18091 827 1 3 . 1 1 12 12 THR N N 530 118.050 118.050 116.975 1.075 18091 828 1 3 . 1 1 12 12 THR HA H 530 3.750 3.750 4.013 -0.263 18091 829 1 3 . 1 1 12 12 THR C C 530 175.770 175.770 175.886 -0.116 18091 830 1 3 . 1 1 12 12 THR CA C 530 66.320 66.320 67.070 -0.750 18091 831 1 3 . 1 1 12 12 THR CB C 530 68.430 68.430 68.606 -0.176 18091 832 1 3 . 1 1 12 12 THR H H 530 8.390 8.390 7.822 0.568 18091 833 1 3 . 1 1 13 13 TYR N N 531 122.280 122.280 122.525 -0.245 18091 834 1 3 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.972 -0.152 18091 835 1 3 . 1 1 13 13 TYR C C 531 176.420 176.420 177.258 -0.838 18091 836 1 3 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.225 -0.785 18091 837 1 3 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.404 -0.294 18091 838 1 3 . 1 1 13 13 TYR H H 531 8.050 8.050 7.745 0.305 18091 839 1 3 . 1 1 14 14 GLN N N 532 116.250 116.250 117.504 -1.254 18091 840 1 3 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.959 -0.269 18091 841 1 3 . 1 1 14 14 GLN C C 532 178.800 178.800 178.472 0.328 18091 842 1 3 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.924 -0.304 18091 843 1 3 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.318 -0.258 18091 844 1 3 . 1 1 14 14 GLN H H 532 8.010 8.010 8.072 -0.062 18091 845 1 3 . 1 1 15 15 ARG N N 533 118.730 118.730 120.316 -1.586 18091 846 1 3 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.000 -0.080 18091 847 1 3 . 1 1 15 15 ARG C C 533 179.030 179.030 179.137 -0.107 18091 848 1 3 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.952 0.188 18091 849 1 3 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.033 -0.233 18091 850 1 3 . 1 1 15 15 ARG H H 533 7.800 7.800 7.973 -0.173 18091 851 1 3 . 1 1 16 16 ALA N N 534 123.500 123.500 122.859 0.641 18091 852 1 3 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.054 -0.094 18091 853 1 3 . 1 1 16 16 ALA C C 534 178.860 178.860 180.083 -1.223 18091 854 1 3 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.728 -0.058 18091 855 1 3 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.162 0.568 18091 856 1 3 . 1 1 16 16 ALA H H 534 8.210 8.210 7.866 0.344 18091 857 1 3 . 1 1 17 17 MET N N 535 111.910 111.910 114.824 -2.914 18091 858 1 3 . 1 1 17 17 MET HA H 535 4.020 4.020 4.078 -0.058 18091 859 1 3 . 1 1 17 17 MET C C 535 176.890 176.890 177.406 -0.516 18091 860 1 3 . 1 1 17 17 MET CA C 535 55.200 55.200 57.246 -2.046 18091 861 1 3 . 1 1 17 17 MET CB C 535 31.110 31.110 31.804 -0.694 18091 862 1 3 . 1 1 17 17 MET H H 535 7.480 7.480 7.793 -0.313 18091 863 1 3 . 1 1 18 18 LYS N N 536 116.840 116.840 116.401 0.439 18091 864 1 3 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.213 -0.223 18091 865 1 3 . 1 1 18 18 LYS C C 536 176.690 176.690 176.598 0.092 18091 866 1 3 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.758 -0.168 18091 867 1 3 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.650 -0.310 18091 868 1 3 . 1 1 18 18 LYS H H 536 7.180 7.180 7.294 -0.114 18091 869 1 3 . 1 1 19 19 ASP N N 537 122.680 122.680 121.149 1.531 18091 870 1 3 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.869 -0.069 18091 871 1 3 . 1 1 19 19 ASP C C 537 174.720 174.720 175.263 -0.543 18091 872 1 3 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.193 -0.103 18091 873 1 3 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.427 0.543 18091 874 1 3 . 1 1 19 19 ASP H H 537 7.530 7.530 7.546 -0.016 18091 875 1 3 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.242 -0.102 18091 876 1 3 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.943 -0.193 18091 877 1 3 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.065 0.055 18091 878 1 3 . 1 1 21 21 GLU N N 539 118.590 118.590 117.644 0.946 18091 879 1 3 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.047 -0.037 18091 880 1 3 . 1 1 21 21 GLU C C 539 179.010 179.010 178.846 0.164 18091 881 1 3 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.240 -0.391 18091 882 1 3 . 1 1 21 21 GLU CB C 539 29.340 29.340 28.946 0.394 18091 883 1 3 . 1 1 21 21 GLU H H 539 8.200 8.200 8.488 -0.288 18091 884 1 3 . 1 1 22 22 VAL N N 540 120.690 120.690 120.652 0.038 18091 885 1 3 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.529 -0.299 18091 886 1 3 . 1 1 22 22 VAL C C 540 177.740 177.740 177.586 0.154 18091 887 1 3 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.892 -0.802 18091 888 1 3 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.445 -0.095 18091 889 1 3 . 1 1 22 22 VAL H H 540 7.350 7.350 7.475 -0.125 18091 890 1 3 . 1 1 23 23 ALA N N 541 121.460 121.460 122.171 -0.711 18091 891 1 3 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.904 -0.134 18091 892 1 3 . 1 1 23 23 ALA C C 541 179.660 179.660 179.166 0.494 18091 893 1 3 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.047 0.342 18091 894 1 3 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.172 -0.462 18091 895 1 3 . 1 1 23 23 ALA H H 541 8.430 8.430 7.579 0.851 18091 896 1 3 . 1 1 24 24 ALA N N 542 117.000 117.000 120.725 -3.725 18091 897 1 3 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091 898 1 3 . 1 1 24 24 ALA C C 542 180.880 180.880 179.550 1.330 18091 899 1 3 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.599 0.101 18091 900 1 3 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.587 -0.637 18091 901 1 3 . 1 1 24 24 ALA H H 542 7.380 7.380 7.641 -0.261 18091 902 1 3 . 1 1 25 25 ILE N N 543 119.750 119.750 117.353 2.397 18091 903 1 3 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.710 -0.020 18091 904 1 3 . 1 1 25 25 ILE C C 543 177.450 177.450 177.785 -0.335 18091 905 1 3 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.448 0.512 18091 906 1 3 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.307 -0.027 18091 907 1 3 . 1 1 25 25 ILE H H 543 7.380 7.380 7.421 -0.041 18091 908 1 3 . 1 1 26 26 MET N N 544 113.830 113.830 115.081 -1.251 18091 909 1 3 . 1 1 26 26 MET HA H 544 4.140 4.140 4.150 -0.010 18091 910 1 3 . 1 1 26 26 MET C C 544 177.680 177.680 176.795 0.885 18091 911 1 3 . 1 1 26 26 MET CA C 544 55.660 55.660 57.715 -2.054 18091 912 1 3 . 1 1 26 26 MET CB C 544 30.690 30.690 32.825 -2.135 18091 913 1 3 . 1 1 26 26 MET H H 544 7.870 7.870 7.692 0.178 18091 914 1 3 . 1 1 27 27 GLN N N 545 115.210 115.210 116.815 -1.605 18091 915 1 3 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.313 -0.233 18091 916 1 3 . 1 1 27 27 GLN C C 545 175.170 175.170 175.405 -0.235 18091 917 1 3 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.108 -0.668 18091 918 1 3 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.363 -0.373 18091 919 1 3 . 1 1 27 27 GLN H H 545 7.340 7.340 7.451 -0.111 18091 920 1 3 . 1 1 28 28 ASP N N 546 123.270 123.270 118.228 5.042 18091 921 1 3 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.502 0.218 18091 922 1 3 . 1 1 28 28 ASP C C 546 175.220 175.220 175.756 -0.536 18091 923 1 3 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.195 -2.855 18091 924 1 3 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.264 1.116 18091 925 1 3 . 1 1 28 28 ASP H H 546 7.320 7.320 8.428 -1.108 18091 926 1 3 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.301 -0.181 18091 927 1 3 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.131 0.789 18091 928 1 3 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.366 -0.106 18091 929 1 3 . 1 1 30 30 VAL N N 548 119.870 119.870 118.988 0.882 18091 930 1 3 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.678 -0.098 18091 931 1 3 . 1 1 30 30 VAL C C 548 179.010 179.010 177.618 1.392 18091 932 1 3 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.614 -0.614 18091 933 1 3 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.188 -0.077 18091 934 1 3 . 1 1 30 30 VAL H H 548 8.000 8.000 7.862 0.138 18091 935 1 3 . 1 1 31 31 MET N N 549 118.270 118.270 116.685 1.585 18091 936 1 3 . 1 1 31 31 MET HA H 549 4.340 4.340 4.020 0.320 18091 937 1 3 . 1 1 31 31 MET C C 549 178.830 178.830 178.145 0.685 18091 938 1 3 . 1 1 31 31 MET CA C 549 55.140 55.140 59.039 -3.899 18091 939 1 3 . 1 1 31 31 MET CB C 549 28.840 28.840 32.153 -3.312 18091 940 1 3 . 1 1 31 31 MET H H 549 7.250 7.250 7.629 -0.379 18091 941 1 3 . 1 1 32 32 GLN N N 550 118.190 118.190 120.023 -1.833 18091 942 1 3 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.955 -0.215 18091 943 1 3 . 1 1 32 32 GLN C C 550 178.840 178.840 178.317 0.523 18091 944 1 3 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.455 -0.035 18091 945 1 3 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.472 -0.812 18091 946 1 3 . 1 1 32 32 GLN H H 550 8.310 8.310 7.882 0.428 18091 947 1 3 . 1 1 33 33 SER N N 551 114.010 114.010 115.823 -1.813 18091 948 1 3 . 1 1 33 33 SER HA H 551 4.140 4.140 4.153 -0.013 18091 949 1 3 . 1 1 33 33 SER C C 551 176.840 176.840 176.763 0.077 18091 950 1 3 . 1 1 33 33 SER CA C 551 61.330 61.330 62.288 -0.958 18091 951 1 3 . 1 1 33 33 SER CB C 551 62.450 62.450 63.040 -0.590 18091 952 1 3 . 1 1 33 33 SER H H 551 7.570 7.570 7.594 -0.024 18091 953 1 3 . 1 1 34 34 ILE N N 552 123.490 123.490 122.740 0.750 18091 954 1 3 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.647 -0.367 18091 955 1 3 . 1 1 34 34 ILE C C 552 177.630 177.630 178.030 -0.400 18091 956 1 3 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.116 0.564 18091 957 1 3 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.502 0.218 18091 958 1 3 . 1 1 34 34 ILE H H 552 7.600 7.600 7.537 0.063 18091 959 1 3 . 1 1 35 35 LEU N N 553 119.520 119.520 119.527 -0.007 18091 960 1 3 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.811 -0.061 18091 961 1 3 . 1 1 35 35 LEU C C 553 179.440 179.440 179.010 0.430 18091 962 1 3 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.090 -0.140 18091 963 1 3 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.305 -0.605 18091 964 1 3 . 1 1 35 35 LEU H H 553 8.330 8.330 7.860 0.470 18091 965 1 3 . 1 1 36 36 GLN N N 554 118.590 118.590 118.617 -0.027 18091 966 1 3 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.818 0.102 18091 967 1 3 . 1 1 36 36 GLN C C 554 178.560 178.560 178.568 -0.008 18091 968 1 3 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.292 -0.632 18091 969 1 3 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.677 -0.617 18091 970 1 3 . 1 1 36 36 GLN H H 554 7.800 7.800 7.899 -0.099 18091 971 1 3 . 1 1 37 37 GLN N N 555 119.520 119.520 118.493 1.027 18091 972 1 3 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.013 -0.083 18091 973 1 3 . 1 1 37 37 GLN C C 555 178.400 178.400 178.493 -0.093 18091 974 1 3 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.581 -0.051 18091 975 1 3 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.580 0.210 18091 976 1 3 . 1 1 37 37 GLN H H 555 7.990 7.990 8.003 -0.013 18091 977 1 3 . 1 1 38 38 ALA N N 556 120.730 120.730 121.622 -0.892 18091 978 1 3 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.338 -0.228 18091 979 1 3 . 1 1 38 38 ALA C C 556 178.310 178.310 179.456 -1.146 18091 980 1 3 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.752 -1.252 18091 981 1 3 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.306 0.064 18091 982 1 3 . 1 1 38 38 ALA H H 556 8.310 8.310 8.024 0.286 18091 983 1 3 . 1 1 39 39 GLN N N 557 115.600 115.600 118.016 -2.416 18091 984 1 3 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.046 -0.086 18091 985 1 3 . 1 1 39 39 GLN C C 557 177.260 177.260 178.601 -1.341 18091 986 1 3 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.400 -0.480 18091 987 1 3 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.590 -0.110 18091 988 1 3 . 1 1 39 39 GLN H H 557 7.530 7.530 7.767 -0.237 18091 989 1 3 . 1 1 40 40 GLN N N 558 115.310 115.310 116.974 -1.664 18091 990 1 3 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.144 0.036 18091 991 1 3 . 1 1 40 40 GLN C C 558 176.030 176.030 176.567 -0.537 18091 992 1 3 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.616 -1.066 18091 993 1 3 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.818 -0.498 18091 994 1 3 . 1 1 40 40 GLN H H 558 7.350 7.350 7.648 -0.298 18091 995 1 3 . 1 1 41 41 ASN N N 559 114.850 114.850 115.404 -0.554 18091 996 1 3 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.096 -0.146 18091 997 1 3 . 1 1 41 41 ASN C C 559 172.420 172.420 173.244 -0.824 18091 998 1 3 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.342 -0.912 18091 999 1 3 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.259 -2.379 18091 1000 1 3 . 1 1 41 41 ASN H H 559 7.900 7.900 8.097 -0.197 18091 1001 1 3 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.638 -0.308 18091 1002 1 3 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.509 0.491 18091 1003 1 3 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.246 -0.566 18091 1004 1 3 . 1 1 43 43 ALA N N 561 119.920 119.920 120.703 -0.783 18091 1005 1 3 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.176 -0.046 18091 1006 1 3 . 1 1 43 43 ALA C C 561 179.510 179.510 179.000 0.510 18091 1007 1 3 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.419 -0.369 18091 1008 1 3 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.230 -0.180 18091 1009 1 3 . 1 1 43 43 ALA H H 561 7.850 7.850 8.051 -0.201 18091 1010 1 3 . 1 1 44 44 ALA N N 562 120.790 120.790 121.645 -0.855 18091 1011 1 3 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.274 -0.254 18091 1012 1 3 . 1 1 44 44 ALA C C 562 179.570 179.570 179.096 0.474 18091 1013 1 3 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.135 -1.014 18091 1014 1 3 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.490 -0.290 18091 1015 1 3 . 1 1 44 44 ALA H H 562 7.980 7.980 7.617 0.363 18091 1016 1 3 . 1 1 45 45 LEU N N 563 116.420 116.420 115.873 0.547 18091 1017 1 3 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.247 -0.267 18091 1018 1 3 . 1 1 45 45 LEU C C 563 178.220 178.220 178.881 -0.661 18091 1019 1 3 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.897 0.743 18091 1020 1 3 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.587 1.103 18091 1021 1 3 . 1 1 45 45 LEU H H 563 7.510 7.510 7.787 -0.277 18091 1022 1 3 . 1 1 46 46 GLN N N 564 115.510 115.510 120.332 -4.822 18091 1023 1 3 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.989 -0.129 18091 1024 1 3 . 1 1 46 46 GLN C C 564 178.300 178.300 178.062 0.238 18091 1025 1 3 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.147 -0.427 18091 1026 1 3 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.450 -0.430 18091 1027 1 3 . 1 1 46 46 GLN H H 564 7.510 7.510 7.940 -0.430 18091 1028 1 3 . 1 1 47 47 GLU N N 565 117.680 117.680 118.407 -0.727 18091 1029 1 3 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.981 -0.081 18091 1030 1 3 . 1 1 47 47 GLU C C 565 179.070 179.070 179.166 -0.096 18091 1031 1 3 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.075 -0.695 18091 1032 1 3 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.064 -0.074 18091 1033 1 3 . 1 1 47 47 GLU H H 565 7.440 7.440 7.863 -0.423 18091 1034 1 3 . 1 1 48 48 HIS N N 566 118.220 118.220 119.320 -1.100 18091 1035 1 3 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.368 0.012 18091 1036 1 3 . 1 1 48 48 HIS C C 566 177.280 177.280 176.876 0.404 18091 1037 1 3 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.070 -0.210 18091 1038 1 3 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.838 1.601 18091 1039 1 3 . 1 1 48 48 HIS H H 566 7.420 7.420 7.518 -0.098 18091 1040 1 3 . 1 1 49 49 MET N N 567 115.200 115.200 117.305 -2.105 18091 1041 1 3 . 1 1 49 49 MET HA H 567 3.840 3.840 4.332 -0.492 18091 1042 1 3 . 1 1 49 49 MET C C 567 175.260 175.260 177.560 -2.300 18091 1043 1 3 . 1 1 49 49 MET CA C 567 57.840 57.840 58.321 -0.481 18091 1044 1 3 . 1 1 49 49 MET CB C 567 33.080 33.080 32.829 0.251 18091 1045 1 3 . 1 1 49 49 MET H H 567 7.710 7.710 7.847 -0.137 18091 1046 1 3 . 1 1 50 50 LYS N N 568 116.040 116.040 116.637 -0.597 18091 1047 1 3 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.072 -0.112 18091 1048 1 3 . 1 1 50 50 LYS C C 568 176.220 176.220 176.804 -0.584 18091 1049 1 3 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.455 -0.065 18091 1050 1 3 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.316 -0.096 18091 1051 1 3 . 1 1 50 50 LYS H H 568 7.140 7.140 7.428 -0.288 18091 1052 1 3 . 1 1 51 51 ASN N N 569 119.600 119.600 117.901 1.699 18091 1053 1 3 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.820 0.200 18091 1054 1 3 . 1 1 51 51 ASN C C 569 173.920 173.920 175.392 -1.472 18091 1055 1 3 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.929 -1.979 18091 1056 1 3 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.832 -0.832 18091 1057 1 3 . 1 1 51 51 ASN H H 569 7.480 7.480 7.483 -0.003 18091 1058 1 3 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.368 -0.108 18091 1059 1 3 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.686 -0.576 18091 1060 1 3 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.165 0.105 18091 1061 1 3 . 1 1 53 53 GLU N N 571 116.870 116.870 118.535 -1.665 18091 1062 1 3 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091 1063 1 3 . 1 1 53 53 GLU C C 571 178.830 178.830 178.977 -0.147 18091 1064 1 3 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.424 -0.544 18091 1065 1 3 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.604 -0.174 18091 1066 1 3 . 1 1 53 53 GLU H H 571 7.960 7.960 8.298 -0.338 18091 1067 1 3 . 1 1 54 54 VAL N N 572 118.290 118.290 119.159 -0.869 18091 1068 1 3 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.810 -0.150 18091 1069 1 3 . 1 1 54 54 VAL C C 572 177.620 177.620 177.853 -0.233 18091 1070 1 3 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.027 -0.927 18091 1071 1 3 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.459 0.751 18091 1072 1 3 . 1 1 54 54 VAL H H 572 7.330 7.330 7.759 -0.429 18091 1073 1 3 . 1 1 55 55 PHE N N 573 121.090 121.090 122.445 -1.355 18091 1074 1 3 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.037 -0.147 18091 1075 1 3 . 1 1 55 55 PHE C C 573 176.760 176.760 177.031 -0.271 18091 1076 1 3 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.251 -0.021 18091 1077 1 3 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.729 -0.109 18091 1078 1 3 . 1 1 55 55 PHE H H 573 8.700 8.700 8.596 0.104 18091 1079 1 3 . 1 1 56 56 LYS N N 574 116.910 116.910 118.493 -1.583 18091 1080 1 3 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.806 -0.016 18091 1081 1 3 . 1 1 56 56 LYS C C 574 178.980 178.980 178.976 0.004 18091 1082 1 3 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.625 -0.145 18091 1083 1 3 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.266 -0.066 18091 1084 1 3 . 1 1 56 56 LYS H H 574 7.800 7.800 7.795 0.005 18091 1085 1 3 . 1 1 57 57 LYS N N 575 119.120 119.120 119.404 -0.284 18091 1086 1 3 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.998 -0.088 18091 1087 1 3 . 1 1 57 57 LYS C C 575 178.520 178.520 179.104 -0.584 18091 1088 1 3 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.476 0.474 18091 1089 1 3 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.386 0.673 18091 1090 1 3 . 1 1 57 57 LYS H H 575 7.170 7.170 7.243 -0.073 18091 1091 1 3 . 1 1 58 58 ILE N N 576 119.180 119.180 119.113 0.067 18091 1092 1 3 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.711 -0.391 18091 1093 1 3 . 1 1 58 58 ILE C C 576 177.820 177.820 178.160 -0.340 18091 1094 1 3 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.845 0.685 18091 1095 1 3 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.853 -0.603 18091 1096 1 3 . 1 1 58 58 ILE H H 576 8.300 8.300 8.482 -0.182 18091 1097 1 3 . 1 1 59 59 GLN N N 577 118.000 118.000 118.435 -0.435 18091 1098 1 3 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.780 -0.110 18091 1099 1 3 . 1 1 59 59 GLN C C 577 179.250 179.250 178.485 0.765 18091 1100 1 3 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.281 -0.161 18091 1101 1 3 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.271 -0.431 18091 1102 1 3 . 1 1 59 59 GLN H H 577 8.180 8.180 7.707 0.473 18091 1103 1 3 . 1 1 60 60 THR N N 578 118.670 118.670 116.555 2.115 18091 1104 1 3 . 1 1 60 60 THR HA H 578 3.760 3.760 3.938 -0.178 18091 1105 1 3 . 1 1 60 60 THR C C 578 176.060 176.060 176.562 -0.502 18091 1106 1 3 . 1 1 60 60 THR CA C 578 66.890 66.890 67.051 -0.161 18091 1107 1 3 . 1 1 60 60 THR CB C 578 68.030 68.030 68.549 -0.519 18091 1108 1 3 . 1 1 60 60 THR H H 578 7.780 7.780 7.562 0.218 18091 1109 1 3 . 1 1 61 61 LEU N N 579 120.680 120.680 120.787 -0.107 18091 1110 1 3 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.972 -0.122 18091 1111 1 3 . 1 1 61 61 LEU C C 579 179.590 179.590 178.902 0.688 18091 1112 1 3 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.691 -0.041 18091 1113 1 3 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.194 -0.214 18091 1114 1 3 . 1 1 61 61 LEU H H 579 7.620 7.620 7.306 0.314 18091 1115 1 3 . 1 1 62 62 ILE N N 580 122.880 122.880 120.269 2.611 18091 1116 1 3 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.924 0.106 18091 1117 1 3 . 1 1 62 62 ILE C C 580 180.260 180.260 179.123 1.137 18091 1118 1 3 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.836 -0.106 18091 1119 1 3 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.687 0.623 18091 1120 1 3 . 1 1 62 62 ILE H H 580 8.540 8.540 7.613 0.927 18091 1121 1 3 . 1 1 63 63 ALA N N 581 124.510 124.510 123.083 1.427 18091 1122 1 3 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.033 -0.063 18091 1123 1 3 . 1 1 63 63 ALA C C 581 179.000 179.000 178.734 0.266 18091 1124 1 3 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.778 0.062 18091 1125 1 3 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.285 -0.785 18091 1126 1 3 . 1 1 63 63 ALA H H 581 8.120 8.120 8.112 0.008 18091 1127 1 3 . 1 1 64 64 ALA N N 582 116.250 116.250 118.154 -1.904 18091 1128 1 3 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.133 0.007 18091 1129 1 3 . 1 1 64 64 ALA C C 582 177.040 177.040 177.610 -0.570 18091 1130 1 3 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.717 0.463 18091 1131 1 3 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.194 0.666 18091 1132 1 3 . 1 1 64 64 ALA H H 582 7.470 7.470 7.433 0.037 18091 1133 1 3 . 1 1 65 65 GLY N N 583 104.540 104.540 106.344 -1.804 18091 1134 1 3 . 1 1 65 65 GLY C C 583 174.180 174.180 175.088 -0.908 18091 1135 1 3 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.873 -1.083 18091 1136 1 3 . 1 1 65 65 GLY H H 583 7.600 7.600 7.722 -0.122 18091 1137 1 3 . 1 1 66 66 ILE N N 584 118.630 118.630 117.907 0.723 18091 1138 1 3 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.035 -0.275 18091 1139 1 3 . 1 1 66 66 ILE C C 584 175.660 175.660 175.538 0.122 18091 1140 1 3 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.436 -0.886 18091 1141 1 3 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.701 -1.091 18091 1142 1 3 . 1 1 66 66 ILE H H 584 7.590 7.590 7.758 -0.168 18091 1143 1 3 . 1 1 67 67 ILE N N 585 116.360 116.360 119.404 -3.044 18091 1144 1 3 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.323 -0.153 18091 1145 1 3 . 1 1 67 67 ILE C C 585 174.370 174.370 174.440 -0.070 18091 1146 1 3 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.225 -0.745 18091 1147 1 3 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.962 -1.332 18091 1148 1 3 . 1 1 67 67 ILE H H 585 6.490 6.490 7.326 -0.836 18091 1149 1 3 . 1 1 68 68 ARG N N 586 125.450 125.450 124.414 1.036 18091 1150 1 3 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.742 -0.362 18091 1151 1 3 . 1 1 68 68 ARG C C 586 175.720 175.720 175.152 0.568 18091 1152 1 3 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.583 -0.663 18091 1153 1 3 . 1 1 68 68 ARG CB C 586 31.320 31.320 32.570 -1.250 18091 1154 1 3 . 1 1 68 68 ARG H H 586 8.500 8.500 8.670 -0.170 18091 1155 1 3 . 1 1 69 69 THR N N 587 113.710 113.710 114.092 -0.382 18091 1156 1 3 . 1 1 69 69 THR HA H 587 4.300 4.300 4.706 -0.406 18091 1157 1 3 . 1 1 69 69 THR C C 587 174.760 174.760 174.689 0.071 18091 1158 1 3 . 1 1 69 69 THR CA C 587 61.300 61.300 61.137 0.163 18091 1159 1 3 . 1 1 69 69 THR CB C 587 69.720 69.720 70.308 -0.588 18091 1160 1 3 . 1 1 69 69 THR H H 587 8.250 8.250 8.409 -0.159 18091 1161 1 3 . 1 1 70 70 GLY N N 588 110.720 110.720 110.263 0.457 18091 1162 1 3 . 1 1 70 70 GLY C C 588 172.820 172.820 173.269 -0.449 18091 1163 1 3 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.540 0.620 18091 1164 1 3 . 1 1 70 70 GLY H H 588 8.230 8.230 8.567 -0.337 18091 1165 1 4 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.607 -0.377 18091 1166 1 4 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.081 0.168 18091 1167 1 4 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.802 -0.842 18091 1168 1 4 . 1 1 3 3 GLY N N 521 109.400 109.400 109.000 0.400 18091 1169 1 4 . 1 1 3 3 GLY C C 521 174.300 174.300 172.809 1.491 18091 1170 1 4 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.494 0.686 18091 1171 1 4 . 1 1 3 3 GLY H H 521 8.490 8.490 9.107 -0.617 18091 1172 1 4 . 1 1 4 4 THR N N 522 112.480 112.480 111.639 0.841 18091 1173 1 4 . 1 1 4 4 THR HA H 522 4.300 4.300 4.625 -0.325 18091 1174 1 4 . 1 1 4 4 THR C C 522 174.690 174.690 173.218 1.472 18091 1175 1 4 . 1 1 4 4 THR CA C 522 61.240 61.240 61.484 -0.244 18091 1176 1 4 . 1 1 4 4 THR CB C 522 69.960 69.960 70.427 -0.467 18091 1177 1 4 . 1 1 4 4 THR H H 522 7.860 7.860 8.052 -0.192 18091 1178 1 4 . 1 1 5 5 SER N N 523 117.450 117.450 115.609 1.841 18091 1179 1 4 . 1 1 5 5 SER HA H 523 3.890 3.890 4.591 -0.701 18091 1180 1 4 . 1 1 5 5 SER C C 523 173.320 173.320 173.051 0.269 18091 1181 1 4 . 1 1 5 5 SER CA C 523 58.460 58.460 57.717 0.743 18091 1182 1 4 . 1 1 5 5 SER CB C 523 63.690 63.690 64.947 -1.256 18091 1183 1 4 . 1 1 5 5 SER H H 523 8.300 8.300 8.408 -0.108 18091 1184 1 4 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.722 -0.372 18091 1185 1 4 . 1 1 6 6 ASN C C 524 174.670 174.670 174.080 0.590 18091 1186 1 4 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.669 -0.609 18091 1187 1 4 . 1 1 6 6 ASN CB C 524 38.710 38.710 37.642 1.068 18091 1188 1 4 . 1 1 7 7 GLU N N 525 120.970 120.970 124.209 -3.239 18091 1189 1 4 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.448 -0.108 18091 1190 1 4 . 1 1 7 7 GLU C C 525 176.900 176.900 174.784 2.116 18091 1191 1 4 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.840 0.200 18091 1192 1 4 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.254 -1.184 18091 1193 1 4 . 1 1 7 7 GLU H H 525 7.970 7.970 7.929 0.041 18091 1194 1 4 . 1 1 8 8 THR N N 526 116.960 116.960 114.241 2.719 18091 1195 1 4 . 1 1 8 8 THR HA H 526 4.540 4.540 4.051 0.489 18091 1196 1 4 . 1 1 8 8 THR C C 526 173.410 173.410 174.233 -0.823 18091 1197 1 4 . 1 1 8 8 THR CA C 526 60.080 60.080 63.243 -3.163 18091 1198 1 4 . 1 1 8 8 THR CB C 526 68.500 68.500 66.490 2.010 18091 1199 1 4 . 1 1 8 8 THR H H 526 8.630 8.630 8.533 0.097 18091 1200 1 4 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.194 -0.004 18091 1201 1 4 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.363 -0.253 18091 1202 1 4 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.733 -0.153 18091 1203 1 4 . 1 1 10 10 GLU N N 528 118.610 118.610 117.454 1.156 18091 1204 1 4 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.037 -0.057 18091 1205 1 4 . 1 1 10 10 GLU C C 528 178.550 178.550 178.456 0.094 18091 1206 1 4 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.482 0.098 18091 1207 1 4 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.207 -0.217 18091 1208 1 4 . 1 1 10 10 GLU H H 528 8.550 8.550 8.885 -0.335 18091 1209 1 4 . 1 1 11 11 GLU N N 529 121.090 121.090 118.483 2.607 18091 1210 1 4 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.095 -0.165 18091 1211 1 4 . 1 1 11 11 GLU C C 529 179.470 179.470 178.573 0.897 18091 1212 1 4 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.759 -0.809 18091 1213 1 4 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.481 -0.001 18091 1214 1 4 . 1 1 11 11 GLU H H 529 7.870 7.870 8.199 -0.329 18091 1215 1 4 . 1 1 12 12 THR N N 530 118.050 118.050 116.567 1.483 18091 1216 1 4 . 1 1 12 12 THR HA H 530 3.750 3.750 4.032 -0.282 18091 1217 1 4 . 1 1 12 12 THR C C 530 175.770 175.770 176.076 -0.306 18091 1218 1 4 . 1 1 12 12 THR CA C 530 66.320 66.320 66.942 -0.622 18091 1219 1 4 . 1 1 12 12 THR CB C 530 68.430 68.430 68.422 0.008 18091 1220 1 4 . 1 1 12 12 THR H H 530 8.390 8.390 7.391 0.999 18091 1221 1 4 . 1 1 13 13 TYR N N 531 122.280 122.280 122.619 -0.339 18091 1222 1 4 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.952 -0.132 18091 1223 1 4 . 1 1 13 13 TYR C C 531 176.420 176.420 177.439 -1.019 18091 1224 1 4 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.394 -0.954 18091 1225 1 4 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.344 -0.235 18091 1226 1 4 . 1 1 13 13 TYR H H 531 8.050 8.050 7.870 0.180 18091 1227 1 4 . 1 1 14 14 GLN N N 532 116.250 116.250 117.597 -1.347 18091 1228 1 4 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.910 -0.220 18091 1229 1 4 . 1 1 14 14 GLN C C 532 178.800 178.800 178.333 0.467 18091 1230 1 4 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.033 -0.413 18091 1231 1 4 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.520 -0.460 18091 1232 1 4 . 1 1 14 14 GLN H H 532 8.010 8.010 7.936 0.074 18091 1233 1 4 . 1 1 15 15 ARG N N 533 118.730 118.730 119.808 -1.078 18091 1234 1 4 . 1 1 15 15 ARG HA H 533 3.920 3.920 3.990 -0.070 18091 1235 1 4 . 1 1 15 15 ARG C C 533 179.030 179.030 178.872 0.158 18091 1236 1 4 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.119 0.021 18091 1237 1 4 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.192 -0.392 18091 1238 1 4 . 1 1 15 15 ARG H H 533 7.800 7.800 7.875 -0.075 18091 1239 1 4 . 1 1 16 16 ALA N N 534 123.500 123.500 121.803 1.697 18091 1240 1 4 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.946 0.014 18091 1241 1 4 . 1 1 16 16 ALA C C 534 178.860 178.860 179.623 -0.763 18091 1242 1 4 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.853 -0.183 18091 1243 1 4 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.321 0.409 18091 1244 1 4 . 1 1 16 16 ALA H H 534 8.210 8.210 7.878 0.332 18091 1245 1 4 . 1 1 17 17 MET N N 535 111.910 111.910 114.731 -2.821 18091 1246 1 4 . 1 1 17 17 MET HA H 535 4.020 4.020 4.103 -0.083 18091 1247 1 4 . 1 1 17 17 MET C C 535 176.890 176.890 177.430 -0.540 18091 1248 1 4 . 1 1 17 17 MET CA C 535 55.200 55.200 56.917 -1.717 18091 1249 1 4 . 1 1 17 17 MET CB C 535 31.110 31.110 31.642 -0.532 18091 1250 1 4 . 1 1 17 17 MET H H 535 7.480 7.480 7.706 -0.226 18091 1251 1 4 . 1 1 18 18 LYS N N 536 116.840 116.840 116.673 0.167 18091 1252 1 4 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.191 -0.201 18091 1253 1 4 . 1 1 18 18 LYS C C 536 176.690 176.690 176.584 0.106 18091 1254 1 4 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.936 -0.346 18091 1255 1 4 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.590 -0.250 18091 1256 1 4 . 1 1 18 18 LYS H H 536 7.180 7.180 7.283 -0.103 18091 1257 1 4 . 1 1 19 19 ASP N N 537 122.680 122.680 121.143 1.537 18091 1258 1 4 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.878 -0.078 18091 1259 1 4 . 1 1 19 19 ASP C C 537 174.720 174.720 175.244 -0.524 18091 1260 1 4 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.998 0.092 18091 1261 1 4 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.316 0.654 18091 1262 1 4 . 1 1 19 19 ASP H H 537 7.530 7.530 7.599 -0.069 18091 1263 1 4 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.225 -0.085 18091 1264 1 4 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.914 -0.164 18091 1265 1 4 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.080 0.040 18091 1266 1 4 . 1 1 21 21 GLU N N 539 118.590 118.590 117.843 0.747 18091 1267 1 4 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.061 -0.051 18091 1268 1 4 . 1 1 21 21 GLU C C 539 179.010 179.010 178.924 0.086 18091 1269 1 4 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.083 -0.233 18091 1270 1 4 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.284 0.056 18091 1271 1 4 . 1 1 21 21 GLU H H 539 8.200 8.200 7.907 0.293 18091 1272 1 4 . 1 1 22 22 VAL N N 540 120.690 120.690 120.430 0.260 18091 1273 1 4 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.506 -0.276 18091 1274 1 4 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091 1275 1 4 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.336 -0.246 18091 1276 1 4 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.436 -0.085 18091 1277 1 4 . 1 1 22 22 VAL H H 540 7.350 7.350 7.598 -0.248 18091 1278 1 4 . 1 1 23 23 ALA N N 541 121.460 121.460 122.239 -0.779 18091 1279 1 4 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.931 -0.161 18091 1280 1 4 . 1 1 23 23 ALA C C 541 179.660 179.660 179.267 0.393 18091 1281 1 4 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.979 0.411 18091 1282 1 4 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.256 -0.546 18091 1283 1 4 . 1 1 23 23 ALA H H 541 8.430 8.430 7.525 0.905 18091 1284 1 4 . 1 1 24 24 ALA N N 542 117.000 117.000 121.224 -4.224 18091 1285 1 4 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.108 -0.168 18091 1286 1 4 . 1 1 24 24 ALA C C 542 180.880 180.880 179.144 1.736 18091 1287 1 4 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.654 0.046 18091 1288 1 4 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.299 -0.348 18091 1289 1 4 . 1 1 24 24 ALA H H 542 7.380 7.380 7.597 -0.217 18091 1290 1 4 . 1 1 25 25 ILE N N 543 119.750 119.750 118.091 1.659 18091 1291 1 4 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.789 -0.099 18091 1292 1 4 . 1 1 25 25 ILE C C 543 177.450 177.450 178.533 -1.083 18091 1293 1 4 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.414 0.546 18091 1294 1 4 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.227 0.052 18091 1295 1 4 . 1 1 25 25 ILE H H 543 7.380 7.380 7.424 -0.044 18091 1296 1 4 . 1 1 26 26 MET N N 544 113.830 113.830 117.552 -3.722 18091 1297 1 4 . 1 1 26 26 MET HA H 544 4.140 4.140 4.124 0.016 18091 1298 1 4 . 1 1 26 26 MET C C 544 177.680 177.680 177.923 -0.243 18091 1299 1 4 . 1 1 26 26 MET CA C 544 55.660 55.660 58.629 -2.969 18091 1300 1 4 . 1 1 26 26 MET CB C 544 30.690 30.690 32.647 -1.957 18091 1301 1 4 . 1 1 26 26 MET H H 544 7.870 7.870 7.711 0.159 18091 1302 1 4 . 1 1 27 27 GLN N N 545 115.210 115.210 115.778 -0.568 18091 1303 1 4 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.314 -0.234 18091 1304 1 4 . 1 1 27 27 GLN C C 545 175.170 175.170 175.605 -0.435 18091 1305 1 4 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.105 -0.665 18091 1306 1 4 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.387 -0.397 18091 1307 1 4 . 1 1 27 27 GLN H H 545 7.340 7.340 7.449 -0.109 18091 1308 1 4 . 1 1 28 28 ASP N N 546 123.270 123.270 119.141 4.129 18091 1309 1 4 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.023 -0.303 18091 1310 1 4 . 1 1 28 28 ASP C C 546 175.220 175.220 174.915 0.305 18091 1311 1 4 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.645 0.695 18091 1312 1 4 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.004 -0.624 18091 1313 1 4 . 1 1 28 28 ASP H H 546 7.320 7.320 7.892 -0.572 18091 1314 1 4 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.386 -0.266 18091 1315 1 4 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.916 1.004 18091 1316 1 4 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.712 -0.452 18091 1317 1 4 . 1 1 30 30 VAL N N 548 119.870 119.870 119.285 0.585 18091 1318 1 4 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.719 -0.139 18091 1319 1 4 . 1 1 30 30 VAL C C 548 179.010 179.010 177.961 1.049 18091 1320 1 4 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.670 -0.670 18091 1321 1 4 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.164 -0.054 18091 1322 1 4 . 1 1 30 30 VAL H H 548 8.000 8.000 7.955 0.045 18091 1323 1 4 . 1 1 31 31 MET N N 549 118.270 118.270 116.932 1.338 18091 1324 1 4 . 1 1 31 31 MET HA H 549 4.340 4.340 3.962 0.378 18091 1325 1 4 . 1 1 31 31 MET C C 549 178.830 178.830 178.204 0.626 18091 1326 1 4 . 1 1 31 31 MET CA C 549 55.140 55.140 58.873 -3.732 18091 1327 1 4 . 1 1 31 31 MET CB C 549 28.840 28.840 32.077 -3.236 18091 1328 1 4 . 1 1 31 31 MET H H 549 7.250 7.250 7.884 -0.634 18091 1329 1 4 . 1 1 32 32 GLN N N 550 118.190 118.190 119.763 -1.573 18091 1330 1 4 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.929 -0.189 18091 1331 1 4 . 1 1 32 32 GLN C C 550 178.840 178.840 178.108 0.732 18091 1332 1 4 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.526 -0.106 18091 1333 1 4 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.632 -0.972 18091 1334 1 4 . 1 1 32 32 GLN H H 550 8.310 8.310 8.359 -0.049 18091 1335 1 4 . 1 1 33 33 SER N N 551 114.010 114.010 115.720 -1.710 18091 1336 1 4 . 1 1 33 33 SER HA H 551 4.140 4.140 4.164 -0.024 18091 1337 1 4 . 1 1 33 33 SER C C 551 176.840 176.840 176.845 -0.005 18091 1338 1 4 . 1 1 33 33 SER CA C 551 61.330 61.330 61.627 -0.297 18091 1339 1 4 . 1 1 33 33 SER CB C 551 62.450 62.450 62.981 -0.531 18091 1340 1 4 . 1 1 33 33 SER H H 551 7.570 7.570 7.749 -0.179 18091 1341 1 4 . 1 1 34 34 ILE N N 552 123.490 123.490 123.550 -0.060 18091 1342 1 4 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.764 -0.484 18091 1343 1 4 . 1 1 34 34 ILE C C 552 177.630 177.630 178.258 -0.628 18091 1344 1 4 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.735 0.945 18091 1345 1 4 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.405 0.315 18091 1346 1 4 . 1 1 34 34 ILE H H 552 7.600 7.600 7.430 0.170 18091 1347 1 4 . 1 1 35 35 LEU N N 553 119.520 119.520 119.656 -0.136 18091 1348 1 4 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.817 -0.067 18091 1349 1 4 . 1 1 35 35 LEU C C 553 179.440 179.440 179.341 0.099 18091 1350 1 4 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.026 -0.076 18091 1351 1 4 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.264 -0.564 18091 1352 1 4 . 1 1 35 35 LEU H H 553 8.330 8.330 7.789 0.541 18091 1353 1 4 . 1 1 36 36 GLN N N 554 118.590 118.590 117.469 1.121 18091 1354 1 4 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.917 0.003 18091 1355 1 4 . 1 1 36 36 GLN C C 554 178.560 178.560 178.887 -0.327 18091 1356 1 4 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.934 -0.273 18091 1357 1 4 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.117 -0.057 18091 1358 1 4 . 1 1 36 36 GLN H H 554 7.800 7.800 7.805 -0.005 18091 1359 1 4 . 1 1 37 37 GLN N N 555 119.520 119.520 118.980 0.540 18091 1360 1 4 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.235 -0.305 18091 1361 1 4 . 1 1 37 37 GLN C C 555 178.400 178.400 178.576 -0.176 18091 1362 1 4 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.687 -0.157 18091 1363 1 4 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.565 0.225 18091 1364 1 4 . 1 1 37 37 GLN H H 555 7.990 7.990 8.118 -0.128 18091 1365 1 4 . 1 1 38 38 ALA N N 556 120.730 120.730 121.134 -0.404 18091 1366 1 4 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.375 -0.265 18091 1367 1 4 . 1 1 38 38 ALA C C 556 178.310 178.310 179.604 -1.294 18091 1368 1 4 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.588 -1.088 18091 1369 1 4 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.345 0.025 18091 1370 1 4 . 1 1 38 38 ALA H H 556 8.310 8.310 8.048 0.262 18091 1371 1 4 . 1 1 39 39 GLN N N 557 115.600 115.600 117.885 -2.285 18091 1372 1 4 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.070 -0.110 18091 1373 1 4 . 1 1 39 39 GLN C C 557 177.260 177.260 178.589 -1.329 18091 1374 1 4 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.212 -0.292 18091 1375 1 4 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.512 -0.032 18091 1376 1 4 . 1 1 39 39 GLN H H 557 7.530 7.530 7.758 -0.228 18091 1377 1 4 . 1 1 40 40 GLN N N 558 115.310 115.310 117.379 -2.069 18091 1378 1 4 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091 1379 1 4 . 1 1 40 40 GLN C C 558 176.030 176.030 176.506 -0.476 18091 1380 1 4 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.626 -1.076 18091 1381 1 4 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.808 -0.488 18091 1382 1 4 . 1 1 40 40 GLN H H 558 7.350 7.350 7.694 -0.344 18091 1383 1 4 . 1 1 41 41 ASN N N 559 114.850 114.850 114.962 -0.112 18091 1384 1 4 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091 1385 1 4 . 1 1 41 41 ASN C C 559 172.420 172.420 173.227 -0.807 18091 1386 1 4 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.632 -1.202 18091 1387 1 4 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.221 -2.341 18091 1388 1 4 . 1 1 41 41 ASN H H 559 7.900 7.900 8.117 -0.217 18091 1389 1 4 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.624 -0.294 18091 1390 1 4 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.679 0.321 18091 1391 1 4 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.257 -0.577 18091 1392 1 4 . 1 1 43 43 ALA N N 561 119.920 119.920 120.295 -0.375 18091 1393 1 4 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.177 -0.047 18091 1394 1 4 . 1 1 43 43 ALA C C 561 179.510 179.510 179.009 0.501 18091 1395 1 4 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.308 -0.258 18091 1396 1 4 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.199 -0.149 18091 1397 1 4 . 1 1 43 43 ALA H H 561 7.850 7.850 7.688 0.162 18091 1398 1 4 . 1 1 44 44 ALA N N 562 120.790 120.790 121.606 -0.816 18091 1399 1 4 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.146 -0.126 18091 1400 1 4 . 1 1 44 44 ALA C C 562 179.570 179.570 179.922 -0.352 18091 1401 1 4 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.356 -1.236 18091 1402 1 4 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.360 -0.160 18091 1403 1 4 . 1 1 44 44 ALA H H 562 7.980 7.980 7.730 0.250 18091 1404 1 4 . 1 1 45 45 LEU N N 563 116.420 116.420 116.890 -0.470 18091 1405 1 4 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.370 -0.390 18091 1406 1 4 . 1 1 45 45 LEU C C 563 178.220 178.220 178.802 -0.582 18091 1407 1 4 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.664 0.975 18091 1408 1 4 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.447 1.242 18091 1409 1 4 . 1 1 45 45 LEU H H 563 7.510 7.510 7.878 -0.368 18091 1410 1 4 . 1 1 46 46 GLN N N 564 115.510 115.510 119.770 -4.260 18091 1411 1 4 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.943 -0.083 18091 1412 1 4 . 1 1 46 46 GLN C C 564 178.300 178.300 178.496 -0.196 18091 1413 1 4 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.383 -0.663 18091 1414 1 4 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.486 -0.466 18091 1415 1 4 . 1 1 46 46 GLN H H 564 7.510 7.510 7.981 -0.471 18091 1416 1 4 . 1 1 47 47 GLU N N 565 117.680 117.680 118.084 -0.404 18091 1417 1 4 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.968 -0.068 18091 1418 1 4 . 1 1 47 47 GLU C C 565 179.070 179.070 179.232 -0.162 18091 1419 1 4 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.853 -0.473 18091 1420 1 4 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.066 -0.076 18091 1421 1 4 . 1 1 47 47 GLU H H 565 7.440 7.440 7.825 -0.385 18091 1422 1 4 . 1 1 48 48 HIS N N 566 118.220 118.220 119.511 -1.291 18091 1423 1 4 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.382 -0.002 18091 1424 1 4 . 1 1 48 48 HIS C C 566 177.280 177.280 177.855 -0.575 18091 1425 1 4 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.195 -0.335 18091 1426 1 4 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.817 1.623 18091 1427 1 4 . 1 1 48 48 HIS H H 566 7.420 7.420 7.526 -0.106 18091 1428 1 4 . 1 1 49 49 MET N N 567 115.200 115.200 118.488 -3.288 18091 1429 1 4 . 1 1 49 49 MET HA H 567 3.840 3.840 4.379 -0.539 18091 1430 1 4 . 1 1 49 49 MET C C 567 175.260 175.260 177.346 -2.086 18091 1431 1 4 . 1 1 49 49 MET CA C 567 57.840 57.840 58.681 -0.841 18091 1432 1 4 . 1 1 49 49 MET CB C 567 33.080 33.080 32.790 0.290 18091 1433 1 4 . 1 1 49 49 MET H H 567 7.710 7.710 7.994 -0.284 18091 1434 1 4 . 1 1 50 50 LYS N N 568 116.040 116.040 116.043 -0.003 18091 1435 1 4 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.098 -0.138 18091 1436 1 4 . 1 1 50 50 LYS C C 568 176.220 176.220 176.788 -0.568 18091 1437 1 4 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.479 -0.089 18091 1438 1 4 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.465 -0.245 18091 1439 1 4 . 1 1 50 50 LYS H H 568 7.140 7.140 7.596 -0.456 18091 1440 1 4 . 1 1 51 51 ASN N N 569 119.600 119.600 117.889 1.711 18091 1441 1 4 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.833 0.187 18091 1442 1 4 . 1 1 51 51 ASN C C 569 173.920 173.920 175.094 -1.174 18091 1443 1 4 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.480 -1.530 18091 1444 1 4 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.670 -0.670 18091 1445 1 4 . 1 1 51 51 ASN H H 569 7.480 7.480 7.421 0.059 18091 1446 1 4 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.310 -0.050 18091 1447 1 4 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.640 -0.530 18091 1448 1 4 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.024 0.246 18091 1449 1 4 . 1 1 53 53 GLU N N 571 116.870 116.870 120.105 -3.235 18091 1450 1 4 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.176 -0.106 18091 1451 1 4 . 1 1 53 53 GLU C C 571 178.830 178.830 178.788 0.042 18091 1452 1 4 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.560 -0.680 18091 1453 1 4 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.380 0.050 18091 1454 1 4 . 1 1 53 53 GLU H H 571 7.960 7.960 8.777 -0.817 18091 1455 1 4 . 1 1 54 54 VAL N N 572 118.290 118.290 119.482 -1.192 18091 1456 1 4 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.787 -0.127 18091 1457 1 4 . 1 1 54 54 VAL C C 572 177.620 177.620 177.781 -0.161 18091 1458 1 4 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.783 -0.683 18091 1459 1 4 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.675 0.535 18091 1460 1 4 . 1 1 54 54 VAL H H 572 7.330 7.330 7.851 -0.521 18091 1461 1 4 . 1 1 55 55 PHE N N 573 121.090 121.090 121.602 -0.512 18091 1462 1 4 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.042 -0.152 18091 1463 1 4 . 1 1 55 55 PHE C C 573 176.760 176.760 176.866 -0.106 18091 1464 1 4 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.241 -0.011 18091 1465 1 4 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.904 -0.284 18091 1466 1 4 . 1 1 55 55 PHE H H 573 8.700 8.700 8.485 0.215 18091 1467 1 4 . 1 1 56 56 LYS N N 574 116.910 116.910 118.680 -1.770 18091 1468 1 4 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.817 -0.027 18091 1469 1 4 . 1 1 56 56 LYS C C 574 178.980 178.980 179.039 -0.059 18091 1470 1 4 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.612 -0.132 18091 1471 1 4 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.293 -0.093 18091 1472 1 4 . 1 1 56 56 LYS H H 574 7.800 7.800 7.814 -0.014 18091 1473 1 4 . 1 1 57 57 LYS N N 575 119.120 119.120 119.570 -0.450 18091 1474 1 4 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.004 -0.094 18091 1475 1 4 . 1 1 57 57 LYS C C 575 178.520 178.520 179.118 -0.598 18091 1476 1 4 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.396 0.554 18091 1477 1 4 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.448 0.612 18091 1478 1 4 . 1 1 57 57 LYS H H 575 7.170 7.170 7.253 -0.083 18091 1479 1 4 . 1 1 58 58 ILE N N 576 119.180 119.180 119.307 -0.127 18091 1480 1 4 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.747 -0.427 18091 1481 1 4 . 1 1 58 58 ILE C C 576 177.820 177.820 178.515 -0.695 18091 1482 1 4 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.302 0.228 18091 1483 1 4 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.098 -0.848 18091 1484 1 4 . 1 1 58 58 ILE H H 576 8.300 8.300 8.506 -0.206 18091 1485 1 4 . 1 1 59 59 GLN N N 577 118.000 118.000 118.203 -0.203 18091 1486 1 4 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.779 -0.109 18091 1487 1 4 . 1 1 59 59 GLN C C 577 179.250 179.250 178.318 0.932 18091 1488 1 4 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.377 -0.257 18091 1489 1 4 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.227 -0.387 18091 1490 1 4 . 1 1 59 59 GLN H H 577 8.180 8.180 7.788 0.392 18091 1491 1 4 . 1 1 60 60 THR N N 578 118.670 118.670 117.548 1.122 18091 1492 1 4 . 1 1 60 60 THR HA H 578 3.760 3.760 3.886 -0.126 18091 1493 1 4 . 1 1 60 60 THR C C 578 176.060 176.060 176.380 -0.320 18091 1494 1 4 . 1 1 60 60 THR CA C 578 66.890 66.890 67.574 -0.684 18091 1495 1 4 . 1 1 60 60 THR CB C 578 68.030 68.030 68.454 -0.424 18091 1496 1 4 . 1 1 60 60 THR H H 578 7.780 7.780 7.575 0.205 18091 1497 1 4 . 1 1 61 61 LEU N N 579 120.680 120.680 120.502 0.178 18091 1498 1 4 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.976 -0.126 18091 1499 1 4 . 1 1 61 61 LEU C C 579 179.590 179.590 178.449 1.141 18091 1500 1 4 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.677 -0.027 18091 1501 1 4 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.374 -0.394 18091 1502 1 4 . 1 1 61 61 LEU H H 579 7.620 7.620 7.344 0.276 18091 1503 1 4 . 1 1 62 62 ILE N N 580 122.880 122.880 120.307 2.573 18091 1504 1 4 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.690 0.340 18091 1505 1 4 . 1 1 62 62 ILE C C 580 180.260 180.260 178.925 1.335 18091 1506 1 4 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.103 -0.373 18091 1507 1 4 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.621 0.689 18091 1508 1 4 . 1 1 62 62 ILE H H 580 8.540 8.540 7.513 1.027 18091 1509 1 4 . 1 1 63 63 ALA N N 581 124.510 124.510 123.021 1.489 18091 1510 1 4 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.033 -0.063 18091 1511 1 4 . 1 1 63 63 ALA C C 581 179.000 179.000 178.438 0.562 18091 1512 1 4 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.685 0.155 18091 1513 1 4 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.205 -0.705 18091 1514 1 4 . 1 1 63 63 ALA H H 581 8.120 8.120 8.111 0.009 18091 1515 1 4 . 1 1 64 64 ALA N N 582 116.250 116.250 118.069 -1.819 18091 1516 1 4 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.236 -0.096 18091 1517 1 4 . 1 1 64 64 ALA C C 582 177.040 177.040 177.756 -0.716 18091 1518 1 4 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.088 0.092 18091 1519 1 4 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.187 0.673 18091 1520 1 4 . 1 1 64 64 ALA H H 582 7.470 7.470 7.384 0.086 18091 1521 1 4 . 1 1 65 65 GLY N N 583 104.540 104.540 106.409 -1.869 18091 1522 1 4 . 1 1 65 65 GLY C C 583 174.180 174.180 175.369 -1.189 18091 1523 1 4 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.854 -1.064 18091 1524 1 4 . 1 1 65 65 GLY H H 583 7.600 7.600 7.675 -0.075 18091 1525 1 4 . 1 1 66 66 ILE N N 584 118.630 118.630 117.805 0.825 18091 1526 1 4 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.121 -0.361 18091 1527 1 4 . 1 1 66 66 ILE C C 584 175.660 175.660 175.759 -0.099 18091 1528 1 4 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.378 -0.828 18091 1529 1 4 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.618 -1.008 18091 1530 1 4 . 1 1 66 66 ILE H H 584 7.590 7.590 7.761 -0.171 18091 1531 1 4 . 1 1 67 67 ILE N N 585 116.360 116.360 119.861 -3.501 18091 1532 1 4 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.291 -0.121 18091 1533 1 4 . 1 1 67 67 ILE C C 585 174.370 174.370 174.447 -0.077 18091 1534 1 4 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.225 -0.745 18091 1535 1 4 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.453 -0.823 18091 1536 1 4 . 1 1 67 67 ILE H H 585 6.490 6.490 7.338 -0.848 18091 1537 1 4 . 1 1 68 68 ARG N N 586 125.450 125.450 123.187 2.263 18091 1538 1 4 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.725 -0.345 18091 1539 1 4 . 1 1 68 68 ARG C C 586 175.720 175.720 175.246 0.474 18091 1540 1 4 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.533 -0.613 18091 1541 1 4 . 1 1 68 68 ARG CB C 586 31.320 31.320 32.230 -0.910 18091 1542 1 4 . 1 1 68 68 ARG H H 586 8.500 8.500 8.611 -0.111 18091 1543 1 4 . 1 1 69 69 THR N N 587 113.710 113.710 113.440 0.270 18091 1544 1 4 . 1 1 69 69 THR HA H 587 4.300 4.300 4.810 -0.510 18091 1545 1 4 . 1 1 69 69 THR C C 587 174.760 174.760 174.719 0.041 18091 1546 1 4 . 1 1 69 69 THR CA C 587 61.300 61.300 61.349 -0.049 18091 1547 1 4 . 1 1 69 69 THR CB C 587 69.720 69.720 70.621 -0.901 18091 1548 1 4 . 1 1 69 69 THR H H 587 8.250 8.250 8.225 0.025 18091 1549 1 4 . 1 1 70 70 GLY N N 588 110.720 110.720 110.004 0.716 18091 1550 1 4 . 1 1 70 70 GLY C C 588 172.820 172.820 173.639 -0.819 18091 1551 1 4 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.793 0.367 18091 1552 1 4 . 1 1 70 70 GLY H H 588 8.230 8.230 8.834 -0.604 18091 1553 1 5 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.592 -0.362 18091 1554 1 5 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.038 0.212 18091 1555 1 5 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.828 -0.868 18091 1556 1 5 . 1 1 3 3 GLY N N 521 109.400 109.400 108.672 0.728 18091 1557 1 5 . 1 1 3 3 GLY C C 521 174.300 174.300 173.192 1.108 18091 1558 1 5 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.860 0.320 18091 1559 1 5 . 1 1 3 3 GLY H H 521 8.490 8.490 8.390 0.100 18091 1560 1 5 . 1 1 4 4 THR N N 522 112.480 112.480 111.580 0.900 18091 1561 1 5 . 1 1 4 4 THR HA H 522 4.300 4.300 4.446 -0.146 18091 1562 1 5 . 1 1 4 4 THR C C 522 174.690 174.690 174.611 0.079 18091 1563 1 5 . 1 1 4 4 THR CA C 522 61.240 61.240 61.586 -0.346 18091 1564 1 5 . 1 1 4 4 THR CB C 522 69.960 69.960 70.077 -0.117 18091 1565 1 5 . 1 1 4 4 THR H H 522 7.860 7.860 8.029 -0.169 18091 1566 1 5 . 1 1 5 5 SER N N 523 117.450 117.450 119.194 -1.744 18091 1567 1 5 . 1 1 5 5 SER HA H 523 3.890 3.890 4.505 -0.615 18091 1568 1 5 . 1 1 5 5 SER C C 523 173.320 173.320 173.282 0.038 18091 1569 1 5 . 1 1 5 5 SER CA C 523 58.460 58.460 59.187 -0.727 18091 1570 1 5 . 1 1 5 5 SER CB C 523 63.690 63.690 63.704 -0.014 18091 1571 1 5 . 1 1 5 5 SER H H 523 8.300 8.300 8.865 -0.565 18091 1572 1 5 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.984 -0.634 18091 1573 1 5 . 1 1 6 6 ASN C C 524 174.670 174.670 174.285 0.385 18091 1574 1 5 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.954 0.106 18091 1575 1 5 . 1 1 6 6 ASN CB C 524 38.710 38.710 40.639 -1.929 18091 1576 1 5 . 1 1 7 7 GLU N N 525 120.970 120.970 120.035 0.935 18091 1577 1 5 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.640 -0.300 18091 1578 1 5 . 1 1 7 7 GLU C C 525 176.900 176.900 175.979 0.921 18091 1579 1 5 . 1 1 7 7 GLU CA C 525 56.040 56.040 54.931 1.109 18091 1580 1 5 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.533 -1.463 18091 1581 1 5 . 1 1 7 7 GLU H H 525 7.970 7.970 8.385 -0.415 18091 1582 1 5 . 1 1 8 8 THR N N 526 116.960 116.960 111.711 5.249 18091 1583 1 5 . 1 1 8 8 THR HA H 526 4.540 4.540 3.998 0.542 18091 1584 1 5 . 1 1 8 8 THR C C 526 173.410 173.410 174.029 -0.619 18091 1585 1 5 . 1 1 8 8 THR CA C 526 60.080 60.080 63.102 -3.022 18091 1586 1 5 . 1 1 8 8 THR CB C 526 68.500 68.500 66.733 1.767 18091 1587 1 5 . 1 1 8 8 THR H H 526 8.630 8.630 8.485 0.145 18091 1588 1 5 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.018 0.172 18091 1589 1 5 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.239 -0.129 18091 1590 1 5 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.547 0.033 18091 1591 1 5 . 1 1 10 10 GLU N N 528 118.610 118.610 117.546 1.064 18091 1592 1 5 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.005 -0.025 18091 1593 1 5 . 1 1 10 10 GLU C C 528 178.550 178.550 178.387 0.163 18091 1594 1 5 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.339 0.241 18091 1595 1 5 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.123 -0.133 18091 1596 1 5 . 1 1 10 10 GLU H H 528 8.550 8.550 8.518 0.032 18091 1597 1 5 . 1 1 11 11 GLU N N 529 121.090 121.090 118.438 2.652 18091 1598 1 5 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.060 -0.130 18091 1599 1 5 . 1 1 11 11 GLU C C 529 179.470 179.470 178.346 1.124 18091 1600 1 5 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.452 -0.502 18091 1601 1 5 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.458 0.022 18091 1602 1 5 . 1 1 11 11 GLU H H 529 7.870 7.870 8.339 -0.469 18091 1603 1 5 . 1 1 12 12 THR N N 530 118.050 118.050 116.645 1.405 18091 1604 1 5 . 1 1 12 12 THR HA H 530 3.750 3.750 3.926 -0.176 18091 1605 1 5 . 1 1 12 12 THR C C 530 175.770 175.770 176.460 -0.690 18091 1606 1 5 . 1 1 12 12 THR CA C 530 66.320 66.320 66.688 -0.368 18091 1607 1 5 . 1 1 12 12 THR CB C 530 68.430 68.430 68.494 -0.064 18091 1608 1 5 . 1 1 12 12 THR H H 530 8.390 8.390 7.116 1.274 18091 1609 1 5 . 1 1 13 13 TYR N N 531 122.280 122.280 120.028 2.252 18091 1610 1 5 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.105 -0.285 18091 1611 1 5 . 1 1 13 13 TYR C C 531 176.420 176.420 178.323 -1.903 18091 1612 1 5 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.162 1.278 18091 1613 1 5 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.899 1.211 18091 1614 1 5 . 1 1 13 13 TYR H H 531 8.050 8.050 7.379 0.671 18091 1615 1 5 . 1 1 14 14 GLN N N 532 116.250 116.250 118.108 -1.858 18091 1616 1 5 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.937 -0.247 18091 1617 1 5 . 1 1 14 14 GLN C C 532 178.800 178.800 178.373 0.427 18091 1618 1 5 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.933 -0.313 18091 1619 1 5 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.446 -0.386 18091 1620 1 5 . 1 1 14 14 GLN H H 532 8.010 8.010 7.778 0.232 18091 1621 1 5 . 1 1 15 15 ARG N N 533 118.730 118.730 119.771 -1.041 18091 1622 1 5 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.015 -0.095 18091 1623 1 5 . 1 1 15 15 ARG C C 533 179.030 179.030 178.950 0.080 18091 1624 1 5 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.162 -0.022 18091 1625 1 5 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.186 -0.386 18091 1626 1 5 . 1 1 15 15 ARG H H 533 7.800 7.800 7.880 -0.080 18091 1627 1 5 . 1 1 16 16 ALA N N 534 123.500 123.500 122.473 1.027 18091 1628 1 5 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.116 -0.156 18091 1629 1 5 . 1 1 16 16 ALA C C 534 178.860 178.860 180.274 -1.414 18091 1630 1 5 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.913 -0.243 18091 1631 1 5 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.354 0.376 18091 1632 1 5 . 1 1 16 16 ALA H H 534 8.210 8.210 7.968 0.242 18091 1633 1 5 . 1 1 17 17 MET N N 535 111.910 111.910 114.932 -3.022 18091 1634 1 5 . 1 1 17 17 MET HA H 535 4.020 4.020 4.263 -0.243 18091 1635 1 5 . 1 1 17 17 MET C C 535 176.890 176.890 177.449 -0.559 18091 1636 1 5 . 1 1 17 17 MET CA C 535 55.200 55.200 56.897 -1.697 18091 1637 1 5 . 1 1 17 17 MET CB C 535 31.110 31.110 31.711 -0.601 18091 1638 1 5 . 1 1 17 17 MET H H 535 7.480 7.480 7.918 -0.438 18091 1639 1 5 . 1 1 18 18 LYS N N 536 116.840 116.840 116.942 -0.102 18091 1640 1 5 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.203 -0.213 18091 1641 1 5 . 1 1 18 18 LYS C C 536 176.690 176.690 176.613 0.077 18091 1642 1 5 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.059 -0.470 18091 1643 1 5 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.581 -0.241 18091 1644 1 5 . 1 1 18 18 LYS H H 536 7.180 7.180 7.332 -0.152 18091 1645 1 5 . 1 1 19 19 ASP N N 537 122.680 122.680 120.941 1.739 18091 1646 1 5 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.886 -0.086 18091 1647 1 5 . 1 1 19 19 ASP C C 537 174.720 174.720 175.398 -0.678 18091 1648 1 5 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.009 0.081 18091 1649 1 5 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.318 0.652 18091 1650 1 5 . 1 1 19 19 ASP H H 537 7.530 7.530 7.724 -0.194 18091 1651 1 5 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.232 -0.092 18091 1652 1 5 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.889 -0.140 18091 1653 1 5 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.120 0.000 18091 1654 1 5 . 1 1 21 21 GLU N N 539 118.590 118.590 117.921 0.669 18091 1655 1 5 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.080 -0.070 18091 1656 1 5 . 1 1 21 21 GLU C C 539 179.010 179.010 178.927 0.083 18091 1657 1 5 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.064 -0.214 18091 1658 1 5 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.333 0.007 18091 1659 1 5 . 1 1 21 21 GLU H H 539 8.200 8.200 7.939 0.261 18091 1660 1 5 . 1 1 22 22 VAL N N 540 120.690 120.690 120.326 0.364 18091 1661 1 5 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.586 -0.356 18091 1662 1 5 . 1 1 22 22 VAL C C 540 177.740 177.740 177.703 0.037 18091 1663 1 5 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.416 -0.326 18091 1664 1 5 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.526 -0.176 18091 1665 1 5 . 1 1 22 22 VAL H H 540 7.350 7.350 7.827 -0.477 18091 1666 1 5 . 1 1 23 23 ALA N N 541 121.460 121.460 122.436 -0.976 18091 1667 1 5 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.984 -0.214 18091 1668 1 5 . 1 1 23 23 ALA C C 541 179.660 179.660 179.313 0.347 18091 1669 1 5 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.960 0.430 18091 1670 1 5 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.314 -0.604 18091 1671 1 5 . 1 1 23 23 ALA H H 541 8.430 8.430 7.552 0.878 18091 1672 1 5 . 1 1 24 24 ALA N N 542 117.000 117.000 120.864 -3.864 18091 1673 1 5 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.071 -0.131 18091 1674 1 5 . 1 1 24 24 ALA C C 542 180.880 180.880 179.688 1.192 18091 1675 1 5 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.587 0.113 18091 1676 1 5 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.419 -0.469 18091 1677 1 5 . 1 1 24 24 ALA H H 542 7.380 7.380 7.575 -0.195 18091 1678 1 5 . 1 1 25 25 ILE N N 543 119.750 119.750 118.727 1.023 18091 1679 1 5 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.757 -0.067 18091 1680 1 5 . 1 1 25 25 ILE C C 543 177.450 177.450 178.131 -0.681 18091 1681 1 5 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.898 0.062 18091 1682 1 5 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091 1683 1 5 . 1 1 25 25 ILE H H 543 7.380 7.380 7.428 -0.048 18091 1684 1 5 . 1 1 26 26 MET N N 544 113.830 113.830 117.063 -3.233 18091 1685 1 5 . 1 1 26 26 MET HA H 544 4.140 4.140 4.092 0.048 18091 1686 1 5 . 1 1 26 26 MET C C 544 177.680 177.680 177.858 -0.178 18091 1687 1 5 . 1 1 26 26 MET CA C 544 55.660 55.660 57.977 -2.317 18091 1688 1 5 . 1 1 26 26 MET CB C 544 30.690 30.690 32.307 -1.617 18091 1689 1 5 . 1 1 26 26 MET H H 544 7.870 7.870 7.819 0.051 18091 1690 1 5 . 1 1 27 27 GLN N N 545 115.210 115.210 117.075 -1.865 18091 1691 1 5 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.111 -0.031 18091 1692 1 5 . 1 1 27 27 GLN C C 545 175.170 175.170 175.948 -0.778 18091 1693 1 5 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.988 -1.548 18091 1694 1 5 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.799 0.191 18091 1695 1 5 . 1 1 27 27 GLN H H 545 7.340 7.340 7.660 -0.320 18091 1696 1 5 . 1 1 28 28 ASP N N 546 123.270 123.270 117.252 6.018 18091 1697 1 5 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.410 0.310 18091 1698 1 5 . 1 1 28 28 ASP C C 546 175.220 175.220 174.498 0.722 18091 1699 1 5 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.197 -5.857 18091 1700 1 5 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.671 3.709 18091 1701 1 5 . 1 1 28 28 ASP H H 546 7.320 7.320 8.244 -0.924 18091 1702 1 5 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.180 -0.060 18091 1703 1 5 . 1 1 29 29 PRO CA C 547 64.920 64.920 65.906 -0.986 18091 1704 1 5 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.692 0.567 18091 1705 1 5 . 1 1 30 30 VAL N N 548 119.870 119.870 117.628 2.242 18091 1706 1 5 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.724 -0.144 18091 1707 1 5 . 1 1 30 30 VAL C C 548 179.010 179.010 178.133 0.877 18091 1708 1 5 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.586 -0.586 18091 1709 1 5 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.048 0.062 18091 1710 1 5 . 1 1 30 30 VAL H H 548 8.000 8.000 7.980 0.020 18091 1711 1 5 . 1 1 31 31 MET N N 549 118.270 118.270 118.140 0.130 18091 1712 1 5 . 1 1 31 31 MET HA H 549 4.340 4.340 3.991 0.349 18091 1713 1 5 . 1 1 31 31 MET C C 549 178.830 178.830 178.240 0.590 18091 1714 1 5 . 1 1 31 31 MET CA C 549 55.140 55.140 59.068 -3.928 18091 1715 1 5 . 1 1 31 31 MET CB C 549 28.840 28.840 32.106 -3.266 18091 1716 1 5 . 1 1 31 31 MET H H 549 7.250 7.250 7.655 -0.405 18091 1717 1 5 . 1 1 32 32 GLN N N 550 118.190 118.190 120.073 -1.883 18091 1718 1 5 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.912 -0.172 18091 1719 1 5 . 1 1 32 32 GLN C C 550 178.840 178.840 178.222 0.618 18091 1720 1 5 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.559 -0.139 18091 1721 1 5 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.661 -1.001 18091 1722 1 5 . 1 1 32 32 GLN H H 550 8.310 8.310 7.927 0.383 18091 1723 1 5 . 1 1 33 33 SER N N 551 114.010 114.010 115.950 -1.940 18091 1724 1 5 . 1 1 33 33 SER HA H 551 4.140 4.140 4.117 0.023 18091 1725 1 5 . 1 1 33 33 SER C C 551 176.840 176.840 176.746 0.094 18091 1726 1 5 . 1 1 33 33 SER CA C 551 61.330 61.330 62.270 -0.940 18091 1727 1 5 . 1 1 33 33 SER CB C 551 62.450 62.450 63.034 -0.584 18091 1728 1 5 . 1 1 33 33 SER H H 551 7.570 7.570 7.626 -0.056 18091 1729 1 5 . 1 1 34 34 ILE N N 552 123.490 123.490 122.513 0.977 18091 1730 1 5 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.669 -0.389 18091 1731 1 5 . 1 1 34 34 ILE C C 552 177.630 177.630 178.081 -0.451 18091 1732 1 5 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.071 0.609 18091 1733 1 5 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.515 0.205 18091 1734 1 5 . 1 1 34 34 ILE H H 552 7.600 7.600 7.414 0.186 18091 1735 1 5 . 1 1 35 35 LEU N N 553 119.520 119.520 119.627 -0.107 18091 1736 1 5 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.803 -0.053 18091 1737 1 5 . 1 1 35 35 LEU C C 553 179.440 179.440 178.902 0.538 18091 1738 1 5 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.327 -0.377 18091 1739 1 5 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.226 -0.526 18091 1740 1 5 . 1 1 35 35 LEU H H 553 8.330 8.330 8.053 0.277 18091 1741 1 5 . 1 1 36 36 GLN N N 554 118.590 118.590 118.796 -0.206 18091 1742 1 5 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.067 -0.147 18091 1743 1 5 . 1 1 36 36 GLN C C 554 178.560 178.560 178.756 -0.196 18091 1744 1 5 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.930 -0.270 18091 1745 1 5 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.687 -0.627 18091 1746 1 5 . 1 1 36 36 GLN H H 554 7.800 7.800 7.893 -0.093 18091 1747 1 5 . 1 1 37 37 GLN N N 555 119.520 119.520 118.679 0.841 18091 1748 1 5 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.038 -0.108 18091 1749 1 5 . 1 1 37 37 GLN C C 555 178.400 178.400 178.674 -0.274 18091 1750 1 5 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.747 -0.217 18091 1751 1 5 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.754 0.036 18091 1752 1 5 . 1 1 37 37 GLN H H 555 7.990 7.990 7.928 0.062 18091 1753 1 5 . 1 1 38 38 ALA N N 556 120.730 120.730 120.694 0.036 18091 1754 1 5 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.289 -0.179 18091 1755 1 5 . 1 1 38 38 ALA C C 556 178.310 178.310 179.732 -1.422 18091 1756 1 5 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.601 -1.101 18091 1757 1 5 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.364 0.006 18091 1758 1 5 . 1 1 38 38 ALA H H 556 8.310 8.310 8.151 0.159 18091 1759 1 5 . 1 1 39 39 GLN N N 557 115.600 115.600 118.505 -2.905 18091 1760 1 5 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.043 -0.083 18091 1761 1 5 . 1 1 39 39 GLN C C 557 177.260 177.260 178.468 -1.208 18091 1762 1 5 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.290 -0.370 18091 1763 1 5 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.720 -0.240 18091 1764 1 5 . 1 1 39 39 GLN H H 557 7.530 7.530 7.752 -0.222 18091 1765 1 5 . 1 1 40 40 GLN N N 558 115.310 115.310 116.355 -1.045 18091 1766 1 5 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.210 -0.030 18091 1767 1 5 . 1 1 40 40 GLN C C 558 176.030 176.030 176.134 -0.104 18091 1768 1 5 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.421 -0.871 18091 1769 1 5 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.906 -0.586 18091 1770 1 5 . 1 1 40 40 GLN H H 558 7.350 7.350 7.639 -0.289 18091 1771 1 5 . 1 1 41 41 ASN N N 559 114.850 114.850 116.086 -1.236 18091 1772 1 5 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.040 -0.090 18091 1773 1 5 . 1 1 41 41 ASN C C 559 172.420 172.420 173.559 -1.139 18091 1774 1 5 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.389 -0.959 18091 1775 1 5 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.642 -1.762 18091 1776 1 5 . 1 1 41 41 ASN H H 559 7.900 7.900 7.906 -0.006 18091 1777 1 5 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.384 -0.054 18091 1778 1 5 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.918 0.082 18091 1779 1 5 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.055 -0.375 18091 1780 1 5 . 1 1 43 43 ALA N N 561 119.920 119.920 121.103 -1.183 18091 1781 1 5 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.109 0.021 18091 1782 1 5 . 1 1 43 43 ALA C C 561 179.510 179.510 179.175 0.335 18091 1783 1 5 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.574 -0.524 18091 1784 1 5 . 1 1 43 43 ALA CB C 561 18.050 18.050 17.920 0.130 18091 1785 1 5 . 1 1 43 43 ALA H H 561 7.850 7.850 7.775 0.075 18091 1786 1 5 . 1 1 44 44 ALA N N 562 120.790 120.790 120.986 -0.196 18091 1787 1 5 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.232 -0.212 18091 1788 1 5 . 1 1 44 44 ALA C C 562 179.570 179.570 179.069 0.501 18091 1789 1 5 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.718 -0.598 18091 1790 1 5 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.550 -0.350 18091 1791 1 5 . 1 1 44 44 ALA H H 562 7.980 7.980 8.023 -0.043 18091 1792 1 5 . 1 1 45 45 LEU N N 563 116.420 116.420 117.395 -0.975 18091 1793 1 5 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.405 -0.425 18091 1794 1 5 . 1 1 45 45 LEU C C 563 178.220 178.220 178.760 -0.540 18091 1795 1 5 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.429 0.211 18091 1796 1 5 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.246 0.444 18091 1797 1 5 . 1 1 45 45 LEU H H 563 7.510 7.510 7.386 0.124 18091 1798 1 5 . 1 1 46 46 GLN N N 564 115.510 115.510 119.266 -3.756 18091 1799 1 5 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.957 -0.097 18091 1800 1 5 . 1 1 46 46 GLN C C 564 178.300 178.300 178.362 -0.062 18091 1801 1 5 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.449 -0.729 18091 1802 1 5 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.315 -0.295 18091 1803 1 5 . 1 1 46 46 GLN H H 564 7.510 7.510 7.638 -0.128 18091 1804 1 5 . 1 1 47 47 GLU N N 565 117.680 117.680 118.661 -0.981 18091 1805 1 5 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091 1806 1 5 . 1 1 47 47 GLU C C 565 179.070 179.070 179.076 -0.006 18091 1807 1 5 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.962 -0.582 18091 1808 1 5 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.954 0.036 18091 1809 1 5 . 1 1 47 47 GLU H H 565 7.440 7.440 7.913 -0.473 18091 1810 1 5 . 1 1 48 48 HIS N N 566 118.220 118.220 119.216 -0.996 18091 1811 1 5 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.298 0.082 18091 1812 1 5 . 1 1 48 48 HIS C C 566 177.280 177.280 176.739 0.541 18091 1813 1 5 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.775 0.085 18091 1814 1 5 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.730 1.710 18091 1815 1 5 . 1 1 48 48 HIS H H 566 7.420 7.420 7.589 -0.169 18091 1816 1 5 . 1 1 49 49 MET N N 567 115.200 115.200 117.416 -2.216 18091 1817 1 5 . 1 1 49 49 MET HA H 567 3.840 3.840 4.290 -0.450 18091 1818 1 5 . 1 1 49 49 MET C C 567 175.260 175.260 177.985 -2.725 18091 1819 1 5 . 1 1 49 49 MET CA C 567 57.840 57.840 58.540 -0.700 18091 1820 1 5 . 1 1 49 49 MET CB C 567 33.080 33.080 32.790 0.290 18091 1821 1 5 . 1 1 49 49 MET H H 567 7.710 7.710 7.879 -0.169 18091 1822 1 5 . 1 1 50 50 LYS N N 568 116.040 116.040 116.752 -0.712 18091 1823 1 5 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.017 -0.057 18091 1824 1 5 . 1 1 50 50 LYS C C 568 176.220 176.220 177.339 -1.119 18091 1825 1 5 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.623 -0.233 18091 1826 1 5 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.581 -0.361 18091 1827 1 5 . 1 1 50 50 LYS H H 568 7.140 7.140 7.591 -0.451 18091 1828 1 5 . 1 1 51 51 ASN N N 569 119.600 119.600 119.409 0.191 18091 1829 1 5 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.737 0.283 18091 1830 1 5 . 1 1 51 51 ASN C C 569 173.920 173.920 175.041 -1.121 18091 1831 1 5 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.905 -1.955 18091 1832 1 5 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.405 -0.405 18091 1833 1 5 . 1 1 51 51 ASN H H 569 7.480 7.480 7.877 -0.397 18091 1834 1 5 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.283 -0.023 18091 1835 1 5 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.976 -0.866 18091 1836 1 5 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.136 0.134 18091 1837 1 5 . 1 1 53 53 GLU N N 571 116.870 116.870 119.327 -2.457 18091 1838 1 5 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.161 -0.091 18091 1839 1 5 . 1 1 53 53 GLU C C 571 178.830 178.830 179.160 -0.330 18091 1840 1 5 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.642 -0.762 18091 1841 1 5 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.382 0.048 18091 1842 1 5 . 1 1 53 53 GLU H H 571 7.960 7.960 8.758 -0.798 18091 1843 1 5 . 1 1 54 54 VAL N N 572 118.290 118.290 119.479 -1.189 18091 1844 1 5 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.789 -0.129 18091 1845 1 5 . 1 1 54 54 VAL C C 572 177.620 177.620 177.845 -0.225 18091 1846 1 5 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.626 -0.526 18091 1847 1 5 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.657 0.553 18091 1848 1 5 . 1 1 54 54 VAL H H 572 7.330 7.330 7.758 -0.428 18091 1849 1 5 . 1 1 55 55 PHE N N 573 121.090 121.090 121.893 -0.803 18091 1850 1 5 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.187 -0.297 18091 1851 1 5 . 1 1 55 55 PHE C C 573 176.760 176.760 176.916 -0.156 18091 1852 1 5 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.588 0.642 18091 1853 1 5 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.935 -0.315 18091 1854 1 5 . 1 1 55 55 PHE H H 573 8.700 8.700 8.962 -0.262 18091 1855 1 5 . 1 1 56 56 LYS N N 574 116.910 116.910 118.764 -1.854 18091 1856 1 5 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.706 0.084 18091 1857 1 5 . 1 1 56 56 LYS C C 574 178.980 178.980 178.984 -0.004 18091 1858 1 5 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.602 -0.122 18091 1859 1 5 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.226 -0.026 18091 1860 1 5 . 1 1 56 56 LYS H H 574 7.800 7.800 7.858 -0.058 18091 1861 1 5 . 1 1 57 57 LYS N N 575 119.120 119.120 119.603 -0.483 18091 1862 1 5 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.007 -0.097 18091 1863 1 5 . 1 1 57 57 LYS C C 575 178.520 178.520 179.096 -0.576 18091 1864 1 5 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.498 0.452 18091 1865 1 5 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.404 0.656 18091 1866 1 5 . 1 1 57 57 LYS H H 575 7.170 7.170 7.274 -0.104 18091 1867 1 5 . 1 1 58 58 ILE N N 576 119.180 119.180 119.466 -0.286 18091 1868 1 5 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.651 -0.331 18091 1869 1 5 . 1 1 58 58 ILE C C 576 177.820 177.820 178.265 -0.445 18091 1870 1 5 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.387 0.143 18091 1871 1 5 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.027 -0.777 18091 1872 1 5 . 1 1 58 58 ILE H H 576 8.300 8.300 8.494 -0.194 18091 1873 1 5 . 1 1 59 59 GLN N N 577 118.000 118.000 118.413 -0.413 18091 1874 1 5 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.861 -0.191 18091 1875 1 5 . 1 1 59 59 GLN C C 577 179.250 179.250 178.572 0.678 18091 1876 1 5 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.071 0.049 18091 1877 1 5 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.318 -0.478 18091 1878 1 5 . 1 1 59 59 GLN H H 577 8.180 8.180 7.892 0.288 18091 1879 1 5 . 1 1 60 60 THR N N 578 118.670 118.670 117.279 1.391 18091 1880 1 5 . 1 1 60 60 THR HA H 578 3.760 3.760 3.957 -0.197 18091 1881 1 5 . 1 1 60 60 THR C C 578 176.060 176.060 176.519 -0.459 18091 1882 1 5 . 1 1 60 60 THR CA C 578 66.890 66.890 66.895 -0.005 18091 1883 1 5 . 1 1 60 60 THR CB C 578 68.030 68.030 68.352 -0.322 18091 1884 1 5 . 1 1 60 60 THR H H 578 7.780 7.780 7.811 -0.031 18091 1885 1 5 . 1 1 61 61 LEU N N 579 120.680 120.680 120.696 -0.016 18091 1886 1 5 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.005 -0.155 18091 1887 1 5 . 1 1 61 61 LEU C C 579 179.590 179.590 178.691 0.899 18091 1888 1 5 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.886 -0.236 18091 1889 1 5 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.428 -0.449 18091 1890 1 5 . 1 1 61 61 LEU H H 579 7.620 7.620 7.435 0.185 18091 1891 1 5 . 1 1 62 62 ILE N N 580 122.880 122.880 119.949 2.931 18091 1892 1 5 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.755 0.275 18091 1893 1 5 . 1 1 62 62 ILE C C 580 180.260 180.260 178.959 1.301 18091 1894 1 5 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.010 -0.280 18091 1895 1 5 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.763 0.547 18091 1896 1 5 . 1 1 62 62 ILE H H 580 8.540 8.540 7.531 1.009 18091 1897 1 5 . 1 1 63 63 ALA N N 581 124.510 124.510 122.784 1.726 18091 1898 1 5 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.059 -0.089 18091 1899 1 5 . 1 1 63 63 ALA C C 581 179.000 179.000 178.800 0.200 18091 1900 1 5 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091 1901 1 5 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.359 -0.859 18091 1902 1 5 . 1 1 63 63 ALA H H 581 8.120 8.120 8.230 -0.110 18091 1903 1 5 . 1 1 64 64 ALA N N 582 116.250 116.250 118.798 -2.548 18091 1904 1 5 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.312 -0.172 18091 1905 1 5 . 1 1 64 64 ALA C C 582 177.040 177.040 177.788 -0.748 18091 1906 1 5 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.668 0.512 18091 1907 1 5 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.866 0.994 18091 1908 1 5 . 1 1 64 64 ALA H H 582 7.470 7.470 7.513 -0.043 18091 1909 1 5 . 1 1 65 65 GLY N N 583 104.540 104.540 106.776 -2.236 18091 1910 1 5 . 1 1 65 65 GLY C C 583 174.180 174.180 174.955 -0.775 18091 1911 1 5 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.907 -1.117 18091 1912 1 5 . 1 1 65 65 GLY H H 583 7.600 7.600 7.716 -0.116 18091 1913 1 5 . 1 1 66 66 ILE N N 584 118.630 118.630 117.862 0.768 18091 1914 1 5 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.180 -0.420 18091 1915 1 5 . 1 1 66 66 ILE C C 584 175.660 175.660 175.598 0.062 18091 1916 1 5 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.382 -0.832 18091 1917 1 5 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.934 -1.324 18091 1918 1 5 . 1 1 66 66 ILE H H 584 7.590 7.590 7.849 -0.259 18091 1919 1 5 . 1 1 67 67 ILE N N 585 116.360 116.360 119.408 -3.048 18091 1920 1 5 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.348 -0.178 18091 1921 1 5 . 1 1 67 67 ILE C C 585 174.370 174.370 174.833 -0.463 18091 1922 1 5 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.183 -0.703 18091 1923 1 5 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.469 -0.840 18091 1924 1 5 . 1 1 67 67 ILE H H 585 6.490 6.490 7.390 -0.900 18091 1925 1 5 . 1 1 68 68 ARG N N 586 125.450 125.450 125.715 -0.265 18091 1926 1 5 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.623 -0.243 18091 1927 1 5 . 1 1 68 68 ARG C C 586 175.720 175.720 176.024 -0.304 18091 1928 1 5 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.720 -0.800 18091 1929 1 5 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.047 0.273 18091 1930 1 5 . 1 1 68 68 ARG H H 586 8.500 8.500 8.577 -0.077 18091 1931 1 5 . 1 1 69 69 THR N N 587 113.710 113.710 116.590 -2.880 18091 1932 1 5 . 1 1 69 69 THR HA H 587 4.300 4.300 4.497 -0.197 18091 1933 1 5 . 1 1 69 69 THR C C 587 174.760 174.760 175.659 -0.899 18091 1934 1 5 . 1 1 69 69 THR CA C 587 61.300 61.300 60.867 0.433 18091 1935 1 5 . 1 1 69 69 THR CB C 587 69.720 69.720 69.939 -0.219 18091 1936 1 5 . 1 1 69 69 THR H H 587 8.250 8.250 8.687 -0.437 18091 1937 1 5 . 1 1 70 70 GLY N N 588 110.720 110.720 111.174 -0.454 18091 1938 1 5 . 1 1 70 70 GLY C C 588 172.820 172.820 173.834 -1.014 18091 1939 1 5 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.832 0.328 18091 1940 1 5 . 1 1 70 70 GLY H H 588 8.230 8.230 8.683 -0.453 18091 1941 1 6 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.792 -0.562 18091 1942 1 6 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.855 0.395 18091 1943 1 6 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.566 -0.606 18091 1944 1 6 . 1 1 3 3 GLY N N 521 109.400 109.400 109.297 0.103 18091 1945 1 6 . 1 1 3 3 GLY C C 521 174.300 174.300 174.336 -0.036 18091 1946 1 6 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.471 0.709 18091 1947 1 6 . 1 1 3 3 GLY H H 521 8.490 8.490 8.985 -0.495 18091 1948 1 6 . 1 1 4 4 THR N N 522 112.480 112.480 111.464 1.016 18091 1949 1 6 . 1 1 4 4 THR HA H 522 4.300 4.300 4.431 -0.131 18091 1950 1 6 . 1 1 4 4 THR C C 522 174.690 174.690 174.394 0.296 18091 1951 1 6 . 1 1 4 4 THR CA C 522 61.240 61.240 61.440 -0.200 18091 1952 1 6 . 1 1 4 4 THR CB C 522 69.960 69.960 70.013 -0.053 18091 1953 1 6 . 1 1 4 4 THR H H 522 7.860 7.860 7.938 -0.078 18091 1954 1 6 . 1 1 5 5 SER N N 523 117.450 117.450 116.106 1.344 18091 1955 1 6 . 1 1 5 5 SER HA H 523 3.890 3.890 4.617 -0.727 18091 1956 1 6 . 1 1 5 5 SER C C 523 173.320 173.320 174.637 -1.317 18091 1957 1 6 . 1 1 5 5 SER CA C 523 58.460 58.460 57.619 0.841 18091 1958 1 6 . 1 1 5 5 SER CB C 523 63.690 63.690 64.144 -0.454 18091 1959 1 6 . 1 1 5 5 SER H H 523 8.300 8.300 8.362 -0.062 18091 1960 1 6 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.842 -0.492 18091 1961 1 6 . 1 1 6 6 ASN C C 524 174.670 174.670 174.292 0.378 18091 1962 1 6 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.134 -0.074 18091 1963 1 6 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.568 0.142 18091 1964 1 6 . 1 1 7 7 GLU N N 525 120.970 120.970 120.027 0.943 18091 1965 1 6 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.561 -0.221 18091 1966 1 6 . 1 1 7 7 GLU C C 525 176.900 176.900 175.187 1.713 18091 1967 1 6 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.451 -0.411 18091 1968 1 6 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.185 -1.115 18091 1969 1 6 . 1 1 7 7 GLU H H 525 7.970 7.970 7.886 0.084 18091 1970 1 6 . 1 1 8 8 THR N N 526 116.960 116.960 114.712 2.248 18091 1971 1 6 . 1 1 8 8 THR HA H 526 4.540 4.540 4.785 -0.245 18091 1972 1 6 . 1 1 8 8 THR C C 526 173.410 173.410 173.475 -0.065 18091 1973 1 6 . 1 1 8 8 THR CA C 526 60.080 60.080 59.053 1.027 18091 1974 1 6 . 1 1 8 8 THR CB C 526 68.500 68.500 69.021 -0.521 18091 1975 1 6 . 1 1 8 8 THR H H 526 8.630 8.630 8.112 0.518 18091 1976 1 6 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.324 -0.134 18091 1977 1 6 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.468 0.642 18091 1978 1 6 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.066 -0.486 18091 1979 1 6 . 1 1 10 10 GLU N N 528 118.610 118.610 117.455 1.155 18091 1980 1 6 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.926 0.054 18091 1981 1 6 . 1 1 10 10 GLU C C 528 178.550 178.550 178.544 0.006 18091 1982 1 6 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.541 0.039 18091 1983 1 6 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.247 -0.257 18091 1984 1 6 . 1 1 10 10 GLU H H 528 8.550 8.550 8.877 -0.327 18091 1985 1 6 . 1 1 11 11 GLU N N 529 121.090 121.090 119.007 2.083 18091 1986 1 6 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.099 -0.169 18091 1987 1 6 . 1 1 11 11 GLU C C 529 179.470 179.470 178.905 0.565 18091 1988 1 6 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.364 -0.414 18091 1989 1 6 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.574 -0.094 18091 1990 1 6 . 1 1 11 11 GLU H H 529 7.870 7.870 7.720 0.150 18091 1991 1 6 . 1 1 12 12 THR N N 530 118.050 118.050 116.805 1.245 18091 1992 1 6 . 1 1 12 12 THR HA H 530 3.750 3.750 4.050 -0.300 18091 1993 1 6 . 1 1 12 12 THR C C 530 175.770 175.770 176.669 -0.899 18091 1994 1 6 . 1 1 12 12 THR CA C 530 66.320 66.320 67.511 -1.191 18091 1995 1 6 . 1 1 12 12 THR CB C 530 68.430 68.430 68.823 -0.394 18091 1996 1 6 . 1 1 12 12 THR H H 530 8.390 8.390 7.467 0.923 18091 1997 1 6 . 1 1 13 13 TYR N N 531 122.280 122.280 120.950 1.330 18091 1998 1 6 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.091 -0.271 18091 1999 1 6 . 1 1 13 13 TYR C C 531 176.420 176.420 178.228 -1.808 18091 2000 1 6 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.818 -0.378 18091 2001 1 6 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.505 0.605 18091 2002 1 6 . 1 1 13 13 TYR H H 531 8.050 8.050 8.064 -0.014 18091 2003 1 6 . 1 1 14 14 GLN N N 532 116.250 116.250 118.115 -1.865 18091 2004 1 6 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.920 -0.230 18091 2005 1 6 . 1 1 14 14 GLN C C 532 178.800 178.800 178.367 0.433 18091 2006 1 6 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.026 -0.407 18091 2007 1 6 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.469 -0.409 18091 2008 1 6 . 1 1 14 14 GLN H H 532 8.010 8.010 7.927 0.083 18091 2009 1 6 . 1 1 15 15 ARG N N 533 118.730 118.730 119.807 -1.077 18091 2010 1 6 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.011 -0.091 18091 2011 1 6 . 1 1 15 15 ARG C C 533 179.030 179.030 178.906 0.124 18091 2012 1 6 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.146 -0.006 18091 2013 1 6 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.221 -0.421 18091 2014 1 6 . 1 1 15 15 ARG H H 533 7.800 7.800 7.906 -0.106 18091 2015 1 6 . 1 1 16 16 ALA N N 534 123.500 123.500 121.688 1.812 18091 2016 1 6 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.985 -0.025 18091 2017 1 6 . 1 1 16 16 ALA C C 534 178.860 178.860 179.767 -0.907 18091 2018 1 6 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.882 -0.212 18091 2019 1 6 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.394 0.336 18091 2020 1 6 . 1 1 16 16 ALA H H 534 8.210 8.210 7.896 0.314 18091 2021 1 6 . 1 1 17 17 MET N N 535 111.910 111.910 115.219 -3.309 18091 2022 1 6 . 1 1 17 17 MET HA H 535 4.020 4.020 4.179 -0.159 18091 2023 1 6 . 1 1 17 17 MET C C 535 176.890 176.890 177.499 -0.609 18091 2024 1 6 . 1 1 17 17 MET CA C 535 55.200 55.200 57.340 -2.140 18091 2025 1 6 . 1 1 17 17 MET CB C 535 31.110 31.110 31.797 -0.686 18091 2026 1 6 . 1 1 17 17 MET H H 535 7.480 7.480 7.957 -0.477 18091 2027 1 6 . 1 1 18 18 LYS N N 536 116.840 116.840 116.714 0.126 18091 2028 1 6 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.169 -0.179 18091 2029 1 6 . 1 1 18 18 LYS C C 536 176.690 176.690 176.631 0.059 18091 2030 1 6 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.075 -0.485 18091 2031 1 6 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.520 -0.180 18091 2032 1 6 . 1 1 18 18 LYS H H 536 7.180 7.180 7.271 -0.091 18091 2033 1 6 . 1 1 19 19 ASP N N 537 122.680 122.680 120.899 1.781 18091 2034 1 6 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.853 -0.053 18091 2035 1 6 . 1 1 19 19 ASP C C 537 174.720 174.720 175.420 -0.700 18091 2036 1 6 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.998 0.092 18091 2037 1 6 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.265 0.705 18091 2038 1 6 . 1 1 19 19 ASP H H 537 7.530 7.530 7.598 -0.068 18091 2039 1 6 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.246 -0.106 18091 2040 1 6 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.698 0.052 18091 2041 1 6 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.123 -0.003 18091 2042 1 6 . 1 1 21 21 GLU N N 539 118.590 118.590 117.905 0.685 18091 2043 1 6 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.036 -0.026 18091 2044 1 6 . 1 1 21 21 GLU C C 539 179.010 179.010 178.934 0.076 18091 2045 1 6 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.097 -0.247 18091 2046 1 6 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.175 0.165 18091 2047 1 6 . 1 1 21 21 GLU H H 539 8.200 8.200 7.842 0.358 18091 2048 1 6 . 1 1 22 22 VAL N N 540 120.690 120.690 120.487 0.203 18091 2049 1 6 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.550 -0.320 18091 2050 1 6 . 1 1 22 22 VAL C C 540 177.740 177.740 177.596 0.144 18091 2051 1 6 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.904 -0.814 18091 2052 1 6 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.458 -0.108 18091 2053 1 6 . 1 1 22 22 VAL H H 540 7.350 7.350 7.693 -0.343 18091 2054 1 6 . 1 1 23 23 ALA N N 541 121.460 121.460 121.751 -0.291 18091 2055 1 6 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.917 -0.147 18091 2056 1 6 . 1 1 23 23 ALA C C 541 179.660 179.660 179.094 0.566 18091 2057 1 6 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.175 0.215 18091 2058 1 6 . 1 1 23 23 ALA CB C 541 17.710 17.710 17.970 -0.260 18091 2059 1 6 . 1 1 23 23 ALA H H 541 8.430 8.430 7.432 0.998 18091 2060 1 6 . 1 1 24 24 ALA N N 542 117.000 117.000 120.847 -3.847 18091 2061 1 6 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.141 -0.201 18091 2062 1 6 . 1 1 24 24 ALA C C 542 180.880 180.880 178.950 1.930 18091 2063 1 6 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.391 0.309 18091 2064 1 6 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.761 -0.811 18091 2065 1 6 . 1 1 24 24 ALA H H 542 7.380 7.380 7.505 -0.125 18091 2066 1 6 . 1 1 25 25 ILE N N 543 119.750 119.750 117.947 1.803 18091 2067 1 6 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.782 -0.092 18091 2068 1 6 . 1 1 25 25 ILE C C 543 177.450 177.450 177.214 0.236 18091 2069 1 6 . 1 1 25 25 ILE CA C 543 64.960 64.960 63.823 1.137 18091 2070 1 6 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.139 0.141 18091 2071 1 6 . 1 1 25 25 ILE H H 543 7.380 7.380 7.392 -0.012 18091 2072 1 6 . 1 1 26 26 MET N N 544 113.830 113.830 115.420 -1.590 18091 2073 1 6 . 1 1 26 26 MET HA H 544 4.140 4.140 4.099 0.041 18091 2074 1 6 . 1 1 26 26 MET C C 544 177.680 177.680 177.007 0.673 18091 2075 1 6 . 1 1 26 26 MET CA C 544 55.660 55.660 58.080 -2.420 18091 2076 1 6 . 1 1 26 26 MET CB C 544 30.690 30.690 32.961 -2.271 18091 2077 1 6 . 1 1 26 26 MET H H 544 7.870 7.870 7.661 0.209 18091 2078 1 6 . 1 1 27 27 GLN N N 545 115.210 115.210 116.401 -1.191 18091 2079 1 6 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.297 -0.217 18091 2080 1 6 . 1 1 27 27 GLN C C 545 175.170 175.170 174.984 0.186 18091 2081 1 6 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.976 -0.536 18091 2082 1 6 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.617 -0.627 18091 2083 1 6 . 1 1 27 27 GLN H H 545 7.340 7.340 7.420 -0.080 18091 2084 1 6 . 1 1 28 28 ASP N N 546 123.270 123.270 117.919 5.351 18091 2085 1 6 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.521 0.199 18091 2086 1 6 . 1 1 28 28 ASP C C 546 175.220 175.220 175.537 -0.317 18091 2087 1 6 . 1 1 28 28 ASP CA C 546 51.340 51.340 54.050 -2.710 18091 2088 1 6 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.202 1.178 18091 2089 1 6 . 1 1 28 28 ASP H H 546 7.320 7.320 8.445 -1.125 18091 2090 1 6 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.299 -0.179 18091 2091 1 6 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.104 0.816 18091 2092 1 6 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.395 -0.135 18091 2093 1 6 . 1 1 30 30 VAL N N 548 119.870 119.870 119.077 0.793 18091 2094 1 6 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.679 -0.099 18091 2095 1 6 . 1 1 30 30 VAL C C 548 179.010 179.010 177.603 1.407 18091 2096 1 6 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.674 -0.674 18091 2097 1 6 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.188 -0.078 18091 2098 1 6 . 1 1 30 30 VAL H H 548 8.000 8.000 7.832 0.168 18091 2099 1 6 . 1 1 31 31 MET N N 549 118.270 118.270 116.943 1.327 18091 2100 1 6 . 1 1 31 31 MET HA H 549 4.340 4.340 3.981 0.359 18091 2101 1 6 . 1 1 31 31 MET C C 549 178.830 178.830 178.258 0.572 18091 2102 1 6 . 1 1 31 31 MET CA C 549 55.140 55.140 59.266 -4.126 18091 2103 1 6 . 1 1 31 31 MET CB C 549 28.840 28.840 32.144 -3.304 18091 2104 1 6 . 1 1 31 31 MET H H 549 7.250 7.250 7.784 -0.534 18091 2105 1 6 . 1 1 32 32 GLN N N 550 118.190 118.190 119.787 -1.597 18091 2106 1 6 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.949 -0.209 18091 2107 1 6 . 1 1 32 32 GLN C C 550 178.840 178.840 178.394 0.446 18091 2108 1 6 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.300 0.120 18091 2109 1 6 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.357 -0.697 18091 2110 1 6 . 1 1 32 32 GLN H H 550 8.310 8.310 8.047 0.263 18091 2111 1 6 . 1 1 33 33 SER N N 551 114.010 114.010 115.704 -1.694 18091 2112 1 6 . 1 1 33 33 SER HA H 551 4.140 4.140 4.330 -0.190 18091 2113 1 6 . 1 1 33 33 SER C C 551 176.840 176.840 176.842 -0.002 18091 2114 1 6 . 1 1 33 33 SER CA C 551 61.330 61.330 61.687 -0.357 18091 2115 1 6 . 1 1 33 33 SER CB C 551 62.450 62.450 63.174 -0.724 18091 2116 1 6 . 1 1 33 33 SER H H 551 7.570 7.570 7.592 -0.022 18091 2117 1 6 . 1 1 34 34 ILE N N 552 123.490 123.490 122.768 0.722 18091 2118 1 6 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.575 -0.295 18091 2119 1 6 . 1 1 34 34 ILE C C 552 177.630 177.630 178.134 -0.504 18091 2120 1 6 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.057 0.623 18091 2121 1 6 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.509 0.211 18091 2122 1 6 . 1 1 34 34 ILE H H 552 7.600 7.600 7.656 -0.056 18091 2123 1 6 . 1 1 35 35 LEU N N 553 119.520 119.520 119.504 0.016 18091 2124 1 6 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.789 -0.039 18091 2125 1 6 . 1 1 35 35 LEU C C 553 179.440 179.440 179.238 0.202 18091 2126 1 6 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.076 -0.126 18091 2127 1 6 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.248 -0.548 18091 2128 1 6 . 1 1 35 35 LEU H H 553 8.330 8.330 7.737 0.593 18091 2129 1 6 . 1 1 36 36 GLN N N 554 118.590 118.590 117.739 0.851 18091 2130 1 6 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.880 0.041 18091 2131 1 6 . 1 1 36 36 GLN C C 554 178.560 178.560 178.799 -0.239 18091 2132 1 6 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.173 -0.513 18091 2133 1 6 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.439 -0.379 18091 2134 1 6 . 1 1 36 36 GLN H H 554 7.800 7.800 7.806 -0.006 18091 2135 1 6 . 1 1 37 37 GLN N N 555 119.520 119.520 119.100 0.420 18091 2136 1 6 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.212 -0.282 18091 2137 1 6 . 1 1 37 37 GLN C C 555 178.400 178.400 178.619 -0.219 18091 2138 1 6 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.712 -0.182 18091 2139 1 6 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.710 0.080 18091 2140 1 6 . 1 1 37 37 GLN H H 555 7.990 7.990 8.044 -0.054 18091 2141 1 6 . 1 1 38 38 ALA N N 556 120.730 120.730 120.999 -0.269 18091 2142 1 6 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.382 -0.272 18091 2143 1 6 . 1 1 38 38 ALA C C 556 178.310 178.310 179.586 -1.276 18091 2144 1 6 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.570 -1.070 18091 2145 1 6 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.355 0.015 18091 2146 1 6 . 1 1 38 38 ALA H H 556 8.310 8.310 8.210 0.100 18091 2147 1 6 . 1 1 39 39 GLN N N 557 115.600 115.600 117.860 -2.260 18091 2148 1 6 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.072 -0.112 18091 2149 1 6 . 1 1 39 39 GLN C C 557 177.260 177.260 178.567 -1.307 18091 2150 1 6 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.184 -0.264 18091 2151 1 6 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.485 -0.005 18091 2152 1 6 . 1 1 39 39 GLN H H 557 7.530 7.530 7.759 -0.229 18091 2153 1 6 . 1 1 40 40 GLN N N 558 115.310 115.310 117.359 -2.049 18091 2154 1 6 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.143 0.037 18091 2155 1 6 . 1 1 40 40 GLN C C 558 176.030 176.030 176.476 -0.446 18091 2156 1 6 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.606 -1.056 18091 2157 1 6 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.794 -0.474 18091 2158 1 6 . 1 1 40 40 GLN H H 558 7.350 7.350 7.626 -0.276 18091 2159 1 6 . 1 1 41 41 ASN N N 559 114.850 114.850 115.050 -0.200 18091 2160 1 6 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.084 -0.134 18091 2161 1 6 . 1 1 41 41 ASN C C 559 172.420 172.420 173.269 -0.849 18091 2162 1 6 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.592 -1.162 18091 2163 1 6 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.114 -2.234 18091 2164 1 6 . 1 1 41 41 ASN H H 559 7.900 7.900 8.056 -0.156 18091 2165 1 6 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.585 -0.255 18091 2166 1 6 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.784 0.215 18091 2167 1 6 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.276 -0.596 18091 2168 1 6 . 1 1 43 43 ALA N N 561 119.920 119.920 120.622 -0.702 18091 2169 1 6 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.159 -0.029 18091 2170 1 6 . 1 1 43 43 ALA C C 561 179.510 179.510 178.613 0.897 18091 2171 1 6 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.088 -0.038 18091 2172 1 6 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.376 -0.326 18091 2173 1 6 . 1 1 43 43 ALA H H 561 7.850 7.850 7.647 0.203 18091 2174 1 6 . 1 1 44 44 ALA N N 562 120.790 120.790 121.488 -0.698 18091 2175 1 6 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.143 -0.123 18091 2176 1 6 . 1 1 44 44 ALA C C 562 179.570 179.570 179.943 -0.373 18091 2177 1 6 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.282 -1.162 18091 2178 1 6 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.419 -0.219 18091 2179 1 6 . 1 1 44 44 ALA H H 562 7.980 7.980 7.808 0.172 18091 2180 1 6 . 1 1 45 45 LEU N N 563 116.420 116.420 117.321 -0.901 18091 2181 1 6 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.332 -0.352 18091 2182 1 6 . 1 1 45 45 LEU C C 563 178.220 178.220 178.597 -0.377 18091 2183 1 6 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.733 0.907 18091 2184 1 6 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.443 1.247 18091 2185 1 6 . 1 1 45 45 LEU H H 563 7.510 7.510 7.808 -0.298 18091 2186 1 6 . 1 1 46 46 GLN N N 564 115.510 115.510 120.654 -5.144 18091 2187 1 6 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091 2188 1 6 . 1 1 46 46 GLN C C 564 178.300 178.300 178.067 0.233 18091 2189 1 6 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.347 -0.627 18091 2190 1 6 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.731 -0.711 18091 2191 1 6 . 1 1 46 46 GLN H H 564 7.510 7.510 8.045 -0.535 18091 2192 1 6 . 1 1 47 47 GLU N N 565 117.680 117.680 117.639 0.041 18091 2193 1 6 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.956 -0.056 18091 2194 1 6 . 1 1 47 47 GLU C C 565 179.070 179.070 179.196 -0.126 18091 2195 1 6 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.949 -0.569 18091 2196 1 6 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.035 -0.045 18091 2197 1 6 . 1 1 47 47 GLU H H 565 7.440 7.440 7.819 -0.379 18091 2198 1 6 . 1 1 48 48 HIS N N 566 118.220 118.220 119.680 -1.460 18091 2199 1 6 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.356 0.024 18091 2200 1 6 . 1 1 48 48 HIS C C 566 177.280 177.280 178.069 -0.789 18091 2201 1 6 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.284 -0.424 18091 2202 1 6 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.861 1.579 18091 2203 1 6 . 1 1 48 48 HIS H H 566 7.420 7.420 7.540 -0.120 18091 2204 1 6 . 1 1 49 49 MET N N 567 115.200 115.200 119.102 -3.902 18091 2205 1 6 . 1 1 49 49 MET HA H 567 3.840 3.840 4.298 -0.458 18091 2206 1 6 . 1 1 49 49 MET C C 567 175.260 175.260 177.505 -2.245 18091 2207 1 6 . 1 1 49 49 MET CA C 567 57.840 57.840 58.816 -0.976 18091 2208 1 6 . 1 1 49 49 MET CB C 567 33.080 33.080 32.648 0.432 18091 2209 1 6 . 1 1 49 49 MET H H 567 7.710 7.710 8.005 -0.295 18091 2210 1 6 . 1 1 50 50 LYS N N 568 116.040 116.040 116.036 0.004 18091 2211 1 6 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.051 -0.091 18091 2212 1 6 . 1 1 50 50 LYS C C 568 176.220 176.220 176.970 -0.750 18091 2213 1 6 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.561 -0.171 18091 2214 1 6 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.354 -0.134 18091 2215 1 6 . 1 1 50 50 LYS H H 568 7.140 7.140 7.599 -0.459 18091 2216 1 6 . 1 1 51 51 ASN N N 569 119.600 119.600 118.350 1.250 18091 2217 1 6 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.800 0.220 18091 2218 1 6 . 1 1 51 51 ASN C C 569 173.920 173.920 175.041 -1.121 18091 2219 1 6 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.439 -1.489 18091 2220 1 6 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.540 -0.540 18091 2221 1 6 . 1 1 51 51 ASN H H 569 7.480 7.480 7.519 -0.039 18091 2222 1 6 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.280 -0.020 18091 2223 1 6 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.769 -0.659 18091 2224 1 6 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.103 0.167 18091 2225 1 6 . 1 1 53 53 GLU N N 571 116.870 116.870 119.355 -2.485 18091 2226 1 6 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.160 -0.090 18091 2227 1 6 . 1 1 53 53 GLU C C 571 178.830 178.830 179.093 -0.263 18091 2228 1 6 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.642 -0.762 18091 2229 1 6 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.359 0.071 18091 2230 1 6 . 1 1 53 53 GLU H H 571 7.960 7.960 8.750 -0.790 18091 2231 1 6 . 1 1 54 54 VAL N N 572 118.290 118.290 119.606 -1.316 18091 2232 1 6 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091 2233 1 6 . 1 1 54 54 VAL C C 572 177.620 177.620 177.781 -0.161 18091 2234 1 6 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.775 -0.675 18091 2235 1 6 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.682 0.528 18091 2236 1 6 . 1 1 54 54 VAL H H 572 7.330 7.330 7.848 -0.518 18091 2237 1 6 . 1 1 55 55 PHE N N 573 121.090 121.090 121.764 -0.674 18091 2238 1 6 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.130 -0.240 18091 2239 1 6 . 1 1 55 55 PHE C C 573 176.760 176.760 176.992 -0.232 18091 2240 1 6 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.927 0.303 18091 2241 1 6 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.939 -0.319 18091 2242 1 6 . 1 1 55 55 PHE H H 573 8.700 8.700 8.716 -0.016 18091 2243 1 6 . 1 1 56 56 LYS N N 574 116.910 116.910 118.327 -1.417 18091 2244 1 6 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.732 0.058 18091 2245 1 6 . 1 1 56 56 LYS C C 574 178.980 178.980 179.030 -0.050 18091 2246 1 6 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.773 -0.293 18091 2247 1 6 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.201 -0.001 18091 2248 1 6 . 1 1 56 56 LYS H H 574 7.800 7.800 7.905 -0.105 18091 2249 1 6 . 1 1 57 57 LYS N N 575 119.120 119.120 119.643 -0.523 18091 2250 1 6 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.990 -0.080 18091 2251 1 6 . 1 1 57 57 LYS C C 575 178.520 178.520 179.042 -0.522 18091 2252 1 6 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.508 0.442 18091 2253 1 6 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.385 0.675 18091 2254 1 6 . 1 1 57 57 LYS H H 575 7.170 7.170 7.276 -0.106 18091 2255 1 6 . 1 1 58 58 ILE N N 576 119.180 119.180 119.070 0.110 18091 2256 1 6 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.715 -0.395 18091 2257 1 6 . 1 1 58 58 ILE C C 576 177.820 177.820 178.189 -0.369 18091 2258 1 6 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.902 0.628 18091 2259 1 6 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.879 -0.629 18091 2260 1 6 . 1 1 58 58 ILE H H 576 8.300 8.300 8.410 -0.110 18091 2261 1 6 . 1 1 59 59 GLN N N 577 118.000 118.000 118.679 -0.679 18091 2262 1 6 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.767 -0.097 18091 2263 1 6 . 1 1 59 59 GLN C C 577 179.250 179.250 178.356 0.894 18091 2264 1 6 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.362 -0.242 18091 2265 1 6 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.273 -0.433 18091 2266 1 6 . 1 1 59 59 GLN H H 577 8.180 8.180 7.792 0.388 18091 2267 1 6 . 1 1 60 60 THR N N 578 118.670 118.670 116.843 1.827 18091 2268 1 6 . 1 1 60 60 THR HA H 578 3.760 3.760 3.939 -0.179 18091 2269 1 6 . 1 1 60 60 THR C C 578 176.060 176.060 176.480 -0.420 18091 2270 1 6 . 1 1 60 60 THR CA C 578 66.890 66.890 66.680 0.210 18091 2271 1 6 . 1 1 60 60 THR CB C 578 68.030 68.030 68.264 -0.234 18091 2272 1 6 . 1 1 60 60 THR H H 578 7.780 7.780 7.617 0.163 18091 2273 1 6 . 1 1 61 61 LEU N N 579 120.680 120.680 120.536 0.144 18091 2274 1 6 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.963 -0.113 18091 2275 1 6 . 1 1 61 61 LEU C C 579 179.590 179.590 178.620 0.970 18091 2276 1 6 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.664 -0.014 18091 2277 1 6 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.323 -0.343 18091 2278 1 6 . 1 1 61 61 LEU H H 579 7.620 7.620 7.295 0.325 18091 2279 1 6 . 1 1 62 62 ILE N N 580 122.880 122.880 120.583 2.297 18091 2280 1 6 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.864 0.166 18091 2281 1 6 . 1 1 62 62 ILE C C 580 180.260 180.260 179.070 1.190 18091 2282 1 6 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.956 -0.226 18091 2283 1 6 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.709 0.601 18091 2284 1 6 . 1 1 62 62 ILE H H 580 8.540 8.540 7.567 0.973 18091 2285 1 6 . 1 1 63 63 ALA N N 581 124.510 124.510 122.974 1.536 18091 2286 1 6 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.013 -0.043 18091 2287 1 6 . 1 1 63 63 ALA C C 581 179.000 179.000 178.385 0.615 18091 2288 1 6 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.704 0.136 18091 2289 1 6 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.162 -0.662 18091 2290 1 6 . 1 1 63 63 ALA H H 581 8.120 8.120 8.032 0.088 18091 2291 1 6 . 1 1 64 64 ALA N N 582 116.250 116.250 117.780 -1.530 18091 2292 1 6 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.230 -0.090 18091 2293 1 6 . 1 1 64 64 ALA C C 582 177.040 177.040 177.692 -0.652 18091 2294 1 6 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.015 0.165 18091 2295 1 6 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.125 0.736 18091 2296 1 6 . 1 1 64 64 ALA H H 582 7.470 7.470 7.381 0.089 18091 2297 1 6 . 1 1 65 65 GLY N N 583 104.540 104.540 106.160 -1.620 18091 2298 1 6 . 1 1 65 65 GLY C C 583 174.180 174.180 175.713 -1.533 18091 2299 1 6 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.963 -1.173 18091 2300 1 6 . 1 1 65 65 GLY H H 583 7.600 7.600 7.778 -0.178 18091 2301 1 6 . 1 1 66 66 ILE N N 584 118.630 118.630 118.955 -0.325 18091 2302 1 6 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.738 0.022 18091 2303 1 6 . 1 1 66 66 ILE C C 584 175.660 175.660 175.497 0.163 18091 2304 1 6 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.749 -1.199 18091 2305 1 6 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.340 -0.730 18091 2306 1 6 . 1 1 66 66 ILE H H 584 7.590 7.590 7.710 -0.120 18091 2307 1 6 . 1 1 67 67 ILE N N 585 116.360 116.360 118.856 -2.496 18091 2308 1 6 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.268 -0.098 18091 2309 1 6 . 1 1 67 67 ILE C C 585 174.370 174.370 174.663 -0.293 18091 2310 1 6 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.062 -0.582 18091 2311 1 6 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.764 -1.133 18091 2312 1 6 . 1 1 67 67 ILE H H 585 6.490 6.490 7.253 -0.763 18091 2313 1 6 . 1 1 68 68 ARG N N 586 125.450 125.450 126.121 -0.671 18091 2314 1 6 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.690 -0.310 18091 2315 1 6 . 1 1 68 68 ARG C C 586 175.720 175.720 175.842 -0.122 18091 2316 1 6 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.461 -0.541 18091 2317 1 6 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.171 1.149 18091 2318 1 6 . 1 1 68 68 ARG H H 586 8.500 8.500 8.569 -0.069 18091 2319 1 6 . 1 1 69 69 THR N N 587 113.710 113.710 115.191 -1.481 18091 2320 1 6 . 1 1 69 69 THR HA H 587 4.300 4.300 4.630 -0.330 18091 2321 1 6 . 1 1 69 69 THR C C 587 174.760 174.760 174.579 0.181 18091 2322 1 6 . 1 1 69 69 THR CA C 587 61.300 61.300 61.310 -0.010 18091 2323 1 6 . 1 1 69 69 THR CB C 587 69.720 69.720 70.877 -1.157 18091 2324 1 6 . 1 1 69 69 THR H H 587 8.250 8.250 8.348 -0.098 18091 2325 1 6 . 1 1 70 70 GLY N N 588 110.720 110.720 110.512 0.208 18091 2326 1 6 . 1 1 70 70 GLY C C 588 172.820 172.820 174.362 -1.542 18091 2327 1 6 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.458 0.702 18091 2328 1 6 . 1 1 70 70 GLY H H 588 8.230 8.230 8.477 -0.247 18091 2329 1 7 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.490 -0.260 18091 2330 1 7 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.175 0.075 18091 2331 1 7 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.530 -0.570 18091 2332 1 7 . 1 1 3 3 GLY N N 521 109.400 109.400 109.343 0.057 18091 2333 1 7 . 1 1 3 3 GLY C C 521 174.300 174.300 173.821 0.479 18091 2334 1 7 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.388 0.792 18091 2335 1 7 . 1 1 3 3 GLY H H 521 8.490 8.490 8.059 0.431 18091 2336 1 7 . 1 1 4 4 THR N N 522 112.480 112.480 112.613 -0.133 18091 2337 1 7 . 1 1 4 4 THR HA H 522 4.300 4.300 4.668 -0.368 18091 2338 1 7 . 1 1 4 4 THR C C 522 174.690 174.690 173.907 0.783 18091 2339 1 7 . 1 1 4 4 THR CA C 522 61.240 61.240 61.638 -0.398 18091 2340 1 7 . 1 1 4 4 THR CB C 522 69.960 69.960 69.547 0.413 18091 2341 1 7 . 1 1 4 4 THR H H 522 7.860 7.860 8.056 -0.196 18091 2342 1 7 . 1 1 5 5 SER N N 523 117.450 117.450 117.638 -0.188 18091 2343 1 7 . 1 1 5 5 SER HA H 523 3.890 3.890 4.577 -0.687 18091 2344 1 7 . 1 1 5 5 SER C C 523 173.320 173.320 173.032 0.288 18091 2345 1 7 . 1 1 5 5 SER CA C 523 58.460 58.460 57.350 1.110 18091 2346 1 7 . 1 1 5 5 SER CB C 523 63.690 63.690 65.169 -1.480 18091 2347 1 7 . 1 1 5 5 SER H H 523 8.300 8.300 8.328 -0.028 18091 2348 1 7 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.873 -0.523 18091 2349 1 7 . 1 1 6 6 ASN C C 524 174.670 174.670 174.027 0.643 18091 2350 1 7 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.964 0.096 18091 2351 1 7 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.143 -0.433 18091 2352 1 7 . 1 1 7 7 GLU N N 525 120.970 120.970 120.273 0.697 18091 2353 1 7 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.377 -0.037 18091 2354 1 7 . 1 1 7 7 GLU C C 525 176.900 176.900 174.810 2.090 18091 2355 1 7 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.152 -0.112 18091 2356 1 7 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.934 -0.864 18091 2357 1 7 . 1 1 7 7 GLU H H 525 7.970 7.970 8.127 -0.157 18091 2358 1 7 . 1 1 8 8 THR N N 526 116.960 116.960 111.626 5.334 18091 2359 1 7 . 1 1 8 8 THR HA H 526 4.540 4.540 4.127 0.413 18091 2360 1 7 . 1 1 8 8 THR C C 526 173.410 173.410 173.694 -0.284 18091 2361 1 7 . 1 1 8 8 THR CA C 526 60.080 60.080 62.044 -1.964 18091 2362 1 7 . 1 1 8 8 THR CB C 526 68.500 68.500 67.618 0.882 18091 2363 1 7 . 1 1 8 8 THR H H 526 8.630 8.630 8.495 0.135 18091 2364 1 7 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.070 0.120 18091 2365 1 7 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.098 1.012 18091 2366 1 7 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.963 -0.383 18091 2367 1 7 . 1 1 10 10 GLU N N 528 118.610 118.610 118.769 -0.159 18091 2368 1 7 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091 2369 1 7 . 1 1 10 10 GLU C C 528 178.550 178.550 178.699 -0.149 18091 2370 1 7 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.670 -0.090 18091 2371 1 7 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.475 -0.485 18091 2372 1 7 . 1 1 10 10 GLU H H 528 8.550 8.550 8.738 -0.188 18091 2373 1 7 . 1 1 11 11 GLU N N 529 121.090 121.090 117.581 3.509 18091 2374 1 7 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.073 -0.143 18091 2375 1 7 . 1 1 11 11 GLU C C 529 179.470 179.470 178.604 0.866 18091 2376 1 7 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.578 -0.628 18091 2377 1 7 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.342 0.138 18091 2378 1 7 . 1 1 11 11 GLU H H 529 7.870 7.870 8.562 -0.692 18091 2379 1 7 . 1 1 12 12 THR N N 530 118.050 118.050 116.950 1.100 18091 2380 1 7 . 1 1 12 12 THR HA H 530 3.750 3.750 3.886 -0.136 18091 2381 1 7 . 1 1 12 12 THR C C 530 175.770 175.770 176.540 -0.770 18091 2382 1 7 . 1 1 12 12 THR CA C 530 66.320 66.320 66.856 -0.536 18091 2383 1 7 . 1 1 12 12 THR CB C 530 68.430 68.430 68.601 -0.171 18091 2384 1 7 . 1 1 12 12 THR H H 530 8.390 8.390 7.412 0.978 18091 2385 1 7 . 1 1 13 13 TYR N N 531 122.280 122.280 119.912 2.368 18091 2386 1 7 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.088 -0.268 18091 2387 1 7 . 1 1 13 13 TYR C C 531 176.420 176.420 178.414 -1.994 18091 2388 1 7 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.648 0.792 18091 2389 1 7 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.026 1.084 18091 2390 1 7 . 1 1 13 13 TYR H H 531 8.050 8.050 7.287 0.762 18091 2391 1 7 . 1 1 14 14 GLN N N 532 116.250 116.250 117.784 -1.534 18091 2392 1 7 . 1 1 14 14 GLN HA H 532 3.690 3.690 4.002 -0.312 18091 2393 1 7 . 1 1 14 14 GLN C C 532 178.800 178.800 178.765 0.035 18091 2394 1 7 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.865 -0.245 18091 2395 1 7 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.148 -0.088 18091 2396 1 7 . 1 1 14 14 GLN H H 532 8.010 8.010 7.927 0.083 18091 2397 1 7 . 1 1 15 15 ARG N N 533 118.730 118.730 119.339 -0.609 18091 2398 1 7 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.036 -0.116 18091 2399 1 7 . 1 1 15 15 ARG C C 533 179.030 179.030 179.004 0.026 18091 2400 1 7 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.045 0.094 18091 2401 1 7 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.049 -0.249 18091 2402 1 7 . 1 1 15 15 ARG H H 533 7.800 7.800 8.000 -0.200 18091 2403 1 7 . 1 1 16 16 ALA N N 534 123.500 123.500 122.417 1.083 18091 2404 1 7 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.023 -0.063 18091 2405 1 7 . 1 1 16 16 ALA C C 534 178.860 178.860 179.750 -0.890 18091 2406 1 7 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.968 -0.298 18091 2407 1 7 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.426 0.304 18091 2408 1 7 . 1 1 16 16 ALA H H 534 8.210 8.210 7.888 0.322 18091 2409 1 7 . 1 1 17 17 MET N N 535 111.910 111.910 115.068 -3.158 18091 2410 1 7 . 1 1 17 17 MET HA H 535 4.020 4.020 4.214 -0.194 18091 2411 1 7 . 1 1 17 17 MET C C 535 176.890 176.890 177.433 -0.543 18091 2412 1 7 . 1 1 17 17 MET CA C 535 55.200 55.200 57.193 -1.993 18091 2413 1 7 . 1 1 17 17 MET CB C 535 31.110 31.110 31.776 -0.666 18091 2414 1 7 . 1 1 17 17 MET H H 535 7.480 7.480 8.005 -0.525 18091 2415 1 7 . 1 1 18 18 LYS N N 536 116.840 116.840 116.958 -0.118 18091 2416 1 7 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.160 -0.170 18091 2417 1 7 . 1 1 18 18 LYS C C 536 176.690 176.690 176.681 0.009 18091 2418 1 7 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.164 -0.574 18091 2419 1 7 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.517 -0.177 18091 2420 1 7 . 1 1 18 18 LYS H H 536 7.180 7.180 7.278 -0.098 18091 2421 1 7 . 1 1 19 19 ASP N N 537 122.680 122.680 121.028 1.652 18091 2422 1 7 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.914 -0.114 18091 2423 1 7 . 1 1 19 19 ASP C C 537 174.720 174.720 175.254 -0.534 18091 2424 1 7 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.953 0.137 18091 2425 1 7 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.343 0.627 18091 2426 1 7 . 1 1 19 19 ASP H H 537 7.530 7.530 7.635 -0.105 18091 2427 1 7 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.254 -0.114 18091 2428 1 7 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.841 -0.091 18091 2429 1 7 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.102 0.018 18091 2430 1 7 . 1 1 21 21 GLU N N 539 118.590 118.590 117.940 0.650 18091 2431 1 7 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.076 -0.066 18091 2432 1 7 . 1 1 21 21 GLU C C 539 179.010 179.010 178.938 0.072 18091 2433 1 7 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.099 -0.249 18091 2434 1 7 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.329 0.011 18091 2435 1 7 . 1 1 21 21 GLU H H 539 8.200 8.200 7.891 0.309 18091 2436 1 7 . 1 1 22 22 VAL N N 540 120.690 120.690 120.390 0.300 18091 2437 1 7 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.563 -0.333 18091 2438 1 7 . 1 1 22 22 VAL C C 540 177.740 177.740 177.702 0.038 18091 2439 1 7 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.447 -0.357 18091 2440 1 7 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.538 -0.188 18091 2441 1 7 . 1 1 22 22 VAL H H 540 7.350 7.350 7.620 -0.270 18091 2442 1 7 . 1 1 23 23 ALA N N 541 121.460 121.460 122.217 -0.757 18091 2443 1 7 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.968 -0.198 18091 2444 1 7 . 1 1 23 23 ALA C C 541 179.660 179.660 179.257 0.403 18091 2445 1 7 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.013 0.377 18091 2446 1 7 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.274 -0.564 18091 2447 1 7 . 1 1 23 23 ALA H H 541 8.430 8.430 7.520 0.910 18091 2448 1 7 . 1 1 24 24 ALA N N 542 117.000 117.000 121.340 -4.340 18091 2449 1 7 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.110 -0.170 18091 2450 1 7 . 1 1 24 24 ALA C C 542 180.880 180.880 179.160 1.720 18091 2451 1 7 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.680 0.020 18091 2452 1 7 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.305 -0.355 18091 2453 1 7 . 1 1 24 24 ALA H H 542 7.380 7.380 7.596 -0.216 18091 2454 1 7 . 1 1 25 25 ILE N N 543 119.750 119.750 118.027 1.723 18091 2455 1 7 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.791 -0.101 18091 2456 1 7 . 1 1 25 25 ILE C C 543 177.450 177.450 178.564 -1.114 18091 2457 1 7 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.392 0.568 18091 2458 1 7 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.209 0.071 18091 2459 1 7 . 1 1 25 25 ILE H H 543 7.380 7.380 7.446 -0.066 18091 2460 1 7 . 1 1 26 26 MET N N 544 113.830 113.830 117.681 -3.851 18091 2461 1 7 . 1 1 26 26 MET HA H 544 4.140 4.140 4.089 0.051 18091 2462 1 7 . 1 1 26 26 MET C C 544 177.680 177.680 177.881 -0.201 18091 2463 1 7 . 1 1 26 26 MET CA C 544 55.660 55.660 58.666 -3.006 18091 2464 1 7 . 1 1 26 26 MET CB C 544 30.690 30.690 32.604 -1.914 18091 2465 1 7 . 1 1 26 26 MET H H 544 7.870 7.870 7.709 0.161 18091 2466 1 7 . 1 1 27 27 GLN N N 545 115.210 115.210 115.610 -0.400 18091 2467 1 7 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.302 -0.222 18091 2468 1 7 . 1 1 27 27 GLN C C 545 175.170 175.170 175.558 -0.388 18091 2469 1 7 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.039 -0.599 18091 2470 1 7 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.403 -0.413 18091 2471 1 7 . 1 1 27 27 GLN H H 545 7.340 7.340 7.438 -0.098 18091 2472 1 7 . 1 1 28 28 ASP N N 546 123.270 123.270 119.196 4.074 18091 2473 1 7 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.013 -0.293 18091 2474 1 7 . 1 1 28 28 ASP C C 546 175.220 175.220 174.954 0.266 18091 2475 1 7 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.613 0.727 18091 2476 1 7 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.932 -0.552 18091 2477 1 7 . 1 1 28 28 ASP H H 546 7.320 7.320 7.816 -0.496 18091 2478 1 7 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.587 -0.467 18091 2479 1 7 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.903 1.017 18091 2480 1 7 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.820 -0.560 18091 2481 1 7 . 1 1 30 30 VAL N N 548 119.870 119.870 119.706 0.164 18091 2482 1 7 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.596 -0.016 18091 2483 1 7 . 1 1 30 30 VAL C C 548 179.010 179.010 177.719 1.291 18091 2484 1 7 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.647 -0.647 18091 2485 1 7 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.540 -0.429 18091 2486 1 7 . 1 1 30 30 VAL H H 548 8.000 8.000 7.738 0.262 18091 2487 1 7 . 1 1 31 31 MET N N 549 118.270 118.270 117.151 1.119 18091 2488 1 7 . 1 1 31 31 MET HA H 549 4.340 4.340 3.976 0.364 18091 2489 1 7 . 1 1 31 31 MET C C 549 178.830 178.830 178.314 0.516 18091 2490 1 7 . 1 1 31 31 MET CA C 549 55.140 55.140 58.782 -3.642 18091 2491 1 7 . 1 1 31 31 MET CB C 549 28.840 28.840 32.242 -3.402 18091 2492 1 7 . 1 1 31 31 MET H H 549 7.250 7.250 7.892 -0.642 18091 2493 1 7 . 1 1 32 32 GLN N N 550 118.190 118.190 119.124 -0.934 18091 2494 1 7 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.930 -0.190 18091 2495 1 7 . 1 1 32 32 GLN C C 550 178.840 178.840 178.588 0.252 18091 2496 1 7 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.042 0.378 18091 2497 1 7 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.349 -0.689 18091 2498 1 7 . 1 1 32 32 GLN H H 550 8.310 8.310 8.447 -0.137 18091 2499 1 7 . 1 1 33 33 SER N N 551 114.010 114.010 116.214 -2.204 18091 2500 1 7 . 1 1 33 33 SER HA H 551 4.140 4.140 4.153 -0.013 18091 2501 1 7 . 1 1 33 33 SER C C 551 176.840 176.840 176.707 0.133 18091 2502 1 7 . 1 1 33 33 SER CA C 551 61.330 61.330 62.216 -0.886 18091 2503 1 7 . 1 1 33 33 SER CB C 551 62.450 62.450 63.006 -0.556 18091 2504 1 7 . 1 1 33 33 SER H H 551 7.570 7.570 7.743 -0.173 18091 2505 1 7 . 1 1 34 34 ILE N N 552 123.490 123.490 122.184 1.306 18091 2506 1 7 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.492 -0.212 18091 2507 1 7 . 1 1 34 34 ILE C C 552 177.630 177.630 177.607 0.023 18091 2508 1 7 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.975 0.705 18091 2509 1 7 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.351 0.369 18091 2510 1 7 . 1 1 34 34 ILE H H 552 7.600 7.600 7.541 0.059 18091 2511 1 7 . 1 1 35 35 LEU N N 553 119.520 119.520 119.522 -0.002 18091 2512 1 7 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.807 -0.057 18091 2513 1 7 . 1 1 35 35 LEU C C 553 179.440 179.440 179.140 0.300 18091 2514 1 7 . 1 1 35 35 LEU CA C 553 57.950 57.950 57.918 0.032 18091 2515 1 7 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.239 -0.538 18091 2516 1 7 . 1 1 35 35 LEU H H 553 8.330 8.330 7.742 0.588 18091 2517 1 7 . 1 1 36 36 GLN N N 554 118.590 118.590 118.691 -0.101 18091 2518 1 7 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.096 -0.176 18091 2519 1 7 . 1 1 36 36 GLN C C 554 178.560 178.560 178.659 -0.099 18091 2520 1 7 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.613 0.047 18091 2521 1 7 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.276 -0.216 18091 2522 1 7 . 1 1 36 36 GLN H H 554 7.800 7.800 7.809 -0.009 18091 2523 1 7 . 1 1 37 37 GLN N N 555 119.520 119.520 119.305 0.215 18091 2524 1 7 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.198 -0.268 18091 2525 1 7 . 1 1 37 37 GLN C C 555 178.400 178.400 178.619 -0.219 18091 2526 1 7 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.692 -0.162 18091 2527 1 7 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.795 -0.005 18091 2528 1 7 . 1 1 37 37 GLN H H 555 7.990 7.990 8.051 -0.061 18091 2529 1 7 . 1 1 38 38 ALA N N 556 120.730 120.730 121.310 -0.580 18091 2530 1 7 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.358 -0.248 18091 2531 1 7 . 1 1 38 38 ALA C C 556 178.310 178.310 179.712 -1.402 18091 2532 1 7 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.783 -1.283 18091 2533 1 7 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.352 0.017 18091 2534 1 7 . 1 1 38 38 ALA H H 556 8.310 8.310 8.145 0.165 18091 2535 1 7 . 1 1 39 39 GLN N N 557 115.600 115.600 117.468 -1.868 18091 2536 1 7 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.005 -0.045 18091 2537 1 7 . 1 1 39 39 GLN C C 557 177.260 177.260 178.656 -1.396 18091 2538 1 7 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.285 -0.365 18091 2539 1 7 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.619 -0.140 18091 2540 1 7 . 1 1 39 39 GLN H H 557 7.530 7.530 7.734 -0.204 18091 2541 1 7 . 1 1 40 40 GLN N N 558 115.310 115.310 117.039 -1.729 18091 2542 1 7 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.139 0.041 18091 2543 1 7 . 1 1 40 40 GLN C C 558 176.030 176.030 176.413 -0.383 18091 2544 1 7 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.685 -1.135 18091 2545 1 7 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.863 -0.543 18091 2546 1 7 . 1 1 40 40 GLN H H 558 7.350 7.350 7.580 -0.230 18091 2547 1 7 . 1 1 41 41 ASN N N 559 114.850 114.850 114.814 0.036 18091 2548 1 7 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.061 -0.111 18091 2549 1 7 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091 2550 1 7 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.585 -1.155 18091 2551 1 7 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.161 -2.281 18091 2552 1 7 . 1 1 41 41 ASN H H 559 7.900 7.900 8.047 -0.147 18091 2553 1 7 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.587 -0.257 18091 2554 1 7 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.880 0.120 18091 2555 1 7 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.253 -0.573 18091 2556 1 7 . 1 1 43 43 ALA N N 561 119.920 119.920 120.211 -0.291 18091 2557 1 7 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.364 -0.234 18091 2558 1 7 . 1 1 43 43 ALA C C 561 179.510 179.510 178.739 0.771 18091 2559 1 7 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.038 0.012 18091 2560 1 7 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.283 -0.233 18091 2561 1 7 . 1 1 43 43 ALA H H 561 7.850 7.850 7.605 0.245 18091 2562 1 7 . 1 1 44 44 ALA N N 562 120.790 120.790 121.774 -0.984 18091 2563 1 7 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.175 -0.155 18091 2564 1 7 . 1 1 44 44 ALA C C 562 179.570 179.570 179.809 -0.239 18091 2565 1 7 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.967 -0.847 18091 2566 1 7 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.607 -0.407 18091 2567 1 7 . 1 1 44 44 ALA H H 562 7.980 7.980 7.745 0.235 18091 2568 1 7 . 1 1 45 45 LEU N N 563 116.420 116.420 116.843 -0.423 18091 2569 1 7 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.395 -0.415 18091 2570 1 7 . 1 1 45 45 LEU C C 563 178.220 178.220 178.829 -0.609 18091 2571 1 7 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.686 0.954 18091 2572 1 7 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.441 1.249 18091 2573 1 7 . 1 1 45 45 LEU H H 563 7.510 7.510 7.844 -0.334 18091 2574 1 7 . 1 1 46 46 GLN N N 564 115.510 115.510 119.832 -4.322 18091 2575 1 7 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.948 -0.088 18091 2576 1 7 . 1 1 46 46 GLN C C 564 178.300 178.300 178.476 -0.176 18091 2577 1 7 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.421 -0.701 18091 2578 1 7 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.497 -0.477 18091 2579 1 7 . 1 1 46 46 GLN H H 564 7.510 7.510 7.965 -0.455 18091 2580 1 7 . 1 1 47 47 GLU N N 565 117.680 117.680 118.181 -0.501 18091 2581 1 7 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.962 -0.062 18091 2582 1 7 . 1 1 47 47 GLU C C 565 179.070 179.070 179.235 -0.165 18091 2583 1 7 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.881 -0.501 18091 2584 1 7 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.044 -0.054 18091 2585 1 7 . 1 1 47 47 GLU H H 565 7.440 7.440 7.856 -0.416 18091 2586 1 7 . 1 1 48 48 HIS N N 566 118.220 118.220 119.603 -1.383 18091 2587 1 7 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.365 0.015 18091 2588 1 7 . 1 1 48 48 HIS C C 566 177.280 177.280 177.911 -0.631 18091 2589 1 7 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.208 -0.348 18091 2590 1 7 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.830 1.610 18091 2591 1 7 . 1 1 48 48 HIS H H 566 7.420 7.420 7.511 -0.091 18091 2592 1 7 . 1 1 49 49 MET N N 567 115.200 115.200 118.687 -3.487 18091 2593 1 7 . 1 1 49 49 MET HA H 567 3.840 3.840 4.325 -0.485 18091 2594 1 7 . 1 1 49 49 MET C C 567 175.260 175.260 177.505 -2.245 18091 2595 1 7 . 1 1 49 49 MET CA C 567 57.840 57.840 58.833 -0.993 18091 2596 1 7 . 1 1 49 49 MET CB C 567 33.080 33.080 32.783 0.297 18091 2597 1 7 . 1 1 49 49 MET H H 567 7.710 7.710 8.006 -0.296 18091 2598 1 7 . 1 1 50 50 LYS N N 568 116.040 116.040 115.942 0.098 18091 2599 1 7 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.071 -0.111 18091 2600 1 7 . 1 1 50 50 LYS C C 568 176.220 176.220 176.901 -0.681 18091 2601 1 7 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.428 -0.038 18091 2602 1 7 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.352 -0.133 18091 2603 1 7 . 1 1 50 50 LYS H H 568 7.140 7.140 7.592 -0.452 18091 2604 1 7 . 1 1 51 51 ASN N N 569 119.600 119.600 118.522 1.078 18091 2605 1 7 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.824 0.196 18091 2606 1 7 . 1 1 51 51 ASN C C 569 173.920 173.920 175.296 -1.376 18091 2607 1 7 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.605 -1.655 18091 2608 1 7 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.923 -0.923 18091 2609 1 7 . 1 1 51 51 ASN H H 569 7.480 7.480 7.453 0.027 18091 2610 1 7 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.318 -0.058 18091 2611 1 7 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.863 -0.753 18091 2612 1 7 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.030 0.240 18091 2613 1 7 . 1 1 53 53 GLU N N 571 116.870 116.870 118.427 -1.557 18091 2614 1 7 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.158 -0.088 18091 2615 1 7 . 1 1 53 53 GLU C C 571 178.830 178.830 178.729 0.101 18091 2616 1 7 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.551 -0.671 18091 2617 1 7 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.474 -0.044 18091 2618 1 7 . 1 1 53 53 GLU H H 571 7.960 7.960 8.577 -0.617 18091 2619 1 7 . 1 1 54 54 VAL N N 572 118.290 118.290 119.081 -0.791 18091 2620 1 7 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.834 -0.174 18091 2621 1 7 . 1 1 54 54 VAL C C 572 177.620 177.620 177.805 -0.185 18091 2622 1 7 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.167 -0.067 18091 2623 1 7 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.487 0.723 18091 2624 1 7 . 1 1 54 54 VAL H H 572 7.330 7.330 7.801 -0.471 18091 2625 1 7 . 1 1 55 55 PHE N N 573 121.090 121.090 121.971 -0.881 18091 2626 1 7 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.079 -0.189 18091 2627 1 7 . 1 1 55 55 PHE C C 573 176.760 176.760 177.023 -0.263 18091 2628 1 7 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.049 0.181 18091 2629 1 7 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.995 -0.374 18091 2630 1 7 . 1 1 55 55 PHE H H 573 8.700 8.700 8.754 -0.054 18091 2631 1 7 . 1 1 56 56 LYS N N 574 116.910 116.910 119.670 -2.760 18091 2632 1 7 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.757 0.033 18091 2633 1 7 . 1 1 56 56 LYS C C 574 178.980 178.980 178.963 0.017 18091 2634 1 7 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.618 -0.138 18091 2635 1 7 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.462 -0.262 18091 2636 1 7 . 1 1 56 56 LYS H H 574 7.800 7.800 7.855 -0.055 18091 2637 1 7 . 1 1 57 57 LYS N N 575 119.120 119.120 119.364 -0.244 18091 2638 1 7 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.998 -0.088 18091 2639 1 7 . 1 1 57 57 LYS C C 575 178.520 178.520 179.082 -0.562 18091 2640 1 7 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.556 0.395 18091 2641 1 7 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.410 0.650 18091 2642 1 7 . 1 1 57 57 LYS H H 575 7.170 7.170 7.337 -0.167 18091 2643 1 7 . 1 1 58 58 ILE N N 576 119.180 119.180 119.284 -0.104 18091 2644 1 7 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.763 -0.443 18091 2645 1 7 . 1 1 58 58 ILE C C 576 177.820 177.820 178.516 -0.696 18091 2646 1 7 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.175 0.355 18091 2647 1 7 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.053 -0.803 18091 2648 1 7 . 1 1 58 58 ILE H H 576 8.300 8.300 8.541 -0.241 18091 2649 1 7 . 1 1 59 59 GLN N N 577 118.000 118.000 118.230 -0.230 18091 2650 1 7 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.794 -0.124 18091 2651 1 7 . 1 1 59 59 GLN C C 577 179.250 179.250 178.406 0.844 18091 2652 1 7 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.294 -0.174 18091 2653 1 7 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.240 -0.400 18091 2654 1 7 . 1 1 59 59 GLN H H 577 8.180 8.180 7.714 0.466 18091 2655 1 7 . 1 1 60 60 THR N N 578 118.670 118.670 117.013 1.657 18091 2656 1 7 . 1 1 60 60 THR HA H 578 3.760 3.760 3.980 -0.220 18091 2657 1 7 . 1 1 60 60 THR C C 578 176.060 176.060 176.504 -0.444 18091 2658 1 7 . 1 1 60 60 THR CA C 578 66.890 66.890 66.760 0.130 18091 2659 1 7 . 1 1 60 60 THR CB C 578 68.030 68.030 68.326 -0.296 18091 2660 1 7 . 1 1 60 60 THR H H 578 7.780 7.780 7.657 0.123 18091 2661 1 7 . 1 1 61 61 LEU N N 579 120.680 120.680 120.589 0.091 18091 2662 1 7 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.079 -0.229 18091 2663 1 7 . 1 1 61 61 LEU C C 579 179.590 179.590 178.644 0.946 18091 2664 1 7 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.617 0.034 18091 2665 1 7 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.457 -0.477 18091 2666 1 7 . 1 1 61 61 LEU H H 579 7.620 7.620 7.372 0.248 18091 2667 1 7 . 1 1 62 62 ILE N N 580 122.880 122.880 120.829 2.051 18091 2668 1 7 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.756 0.274 18091 2669 1 7 . 1 1 62 62 ILE C C 580 180.260 180.260 179.138 1.122 18091 2670 1 7 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.013 -0.283 18091 2671 1 7 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.725 0.585 18091 2672 1 7 . 1 1 62 62 ILE H H 580 8.540 8.540 7.639 0.901 18091 2673 1 7 . 1 1 63 63 ALA N N 581 124.510 124.510 123.238 1.272 18091 2674 1 7 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.055 -0.085 18091 2675 1 7 . 1 1 63 63 ALA C C 581 179.000 179.000 178.505 0.495 18091 2676 1 7 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.612 0.228 18091 2677 1 7 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.231 -0.731 18091 2678 1 7 . 1 1 63 63 ALA H H 581 8.120 8.120 8.058 0.062 18091 2679 1 7 . 1 1 64 64 ALA N N 582 116.250 116.250 118.441 -2.191 18091 2680 1 7 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.257 -0.117 18091 2681 1 7 . 1 1 64 64 ALA C C 582 177.040 177.040 177.824 -0.784 18091 2682 1 7 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.148 0.032 18091 2683 1 7 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.280 0.580 18091 2684 1 7 . 1 1 64 64 ALA H H 582 7.470 7.470 7.425 0.045 18091 2685 1 7 . 1 1 65 65 GLY N N 583 104.540 104.540 106.502 -1.962 18091 2686 1 7 . 1 1 65 65 GLY C C 583 174.180 174.180 175.123 -0.943 18091 2687 1 7 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.868 -1.078 18091 2688 1 7 . 1 1 65 65 GLY H H 583 7.600 7.600 7.699 -0.099 18091 2689 1 7 . 1 1 66 66 ILE N N 584 118.630 118.630 117.688 0.942 18091 2690 1 7 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.166 -0.406 18091 2691 1 7 . 1 1 66 66 ILE C C 584 175.660 175.660 175.648 0.012 18091 2692 1 7 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.453 -0.903 18091 2693 1 7 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.802 -1.192 18091 2694 1 7 . 1 1 66 66 ILE H H 584 7.590 7.590 7.776 -0.186 18091 2695 1 7 . 1 1 67 67 ILE N N 585 116.360 116.360 119.357 -2.997 18091 2696 1 7 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.338 -0.168 18091 2697 1 7 . 1 1 67 67 ILE C C 585 174.370 174.370 174.716 -0.346 18091 2698 1 7 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.097 -0.617 18091 2699 1 7 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.786 -1.156 18091 2700 1 7 . 1 1 67 67 ILE H H 585 6.490 6.490 7.372 -0.882 18091 2701 1 7 . 1 1 68 68 ARG N N 586 125.450 125.450 125.751 -0.301 18091 2702 1 7 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.600 -0.220 18091 2703 1 7 . 1 1 68 68 ARG C C 586 175.720 175.720 175.718 0.002 18091 2704 1 7 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.083 -1.163 18091 2705 1 7 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.933 0.387 18091 2706 1 7 . 1 1 68 68 ARG H H 586 8.500 8.500 8.599 -0.099 18091 2707 1 7 . 1 1 69 69 THR N N 587 113.710 113.710 114.031 -0.321 18091 2708 1 7 . 1 1 69 69 THR HA H 587 4.300 4.300 4.611 -0.311 18091 2709 1 7 . 1 1 69 69 THR C C 587 174.760 174.760 174.825 -0.065 18091 2710 1 7 . 1 1 69 69 THR CA C 587 61.300 61.300 61.015 0.285 18091 2711 1 7 . 1 1 69 69 THR CB C 587 69.720 69.720 70.455 -0.735 18091 2712 1 7 . 1 1 69 69 THR H H 587 8.250 8.250 8.341 -0.091 18091 2713 1 7 . 1 1 70 70 GLY N N 588 110.720 110.720 111.255 -0.535 18091 2714 1 7 . 1 1 70 70 GLY C C 588 172.820 172.820 173.640 -0.820 18091 2715 1 7 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.446 -0.286 18091 2716 1 7 . 1 1 70 70 GLY H H 588 8.230 8.230 8.533 -0.303 18091 2717 1 8 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.407 -0.177 18091 2718 1 8 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.430 -0.180 18091 2719 1 8 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.031 -0.071 18091 2720 1 8 . 1 1 3 3 GLY N N 521 109.400 109.400 109.848 -0.448 18091 2721 1 8 . 1 1 3 3 GLY C C 521 174.300 174.300 173.580 0.720 18091 2722 1 8 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.251 0.929 18091 2723 1 8 . 1 1 3 3 GLY H H 521 8.490 8.490 8.238 0.252 18091 2724 1 8 . 1 1 4 4 THR N N 522 112.480 112.480 111.480 1.000 18091 2725 1 8 . 1 1 4 4 THR HA H 522 4.300 4.300 4.463 -0.163 18091 2726 1 8 . 1 1 4 4 THR C C 522 174.690 174.690 174.028 0.662 18091 2727 1 8 . 1 1 4 4 THR CA C 522 61.240 61.240 61.851 -0.611 18091 2728 1 8 . 1 1 4 4 THR CB C 522 69.960 69.960 70.118 -0.158 18091 2729 1 8 . 1 1 4 4 THR H H 522 7.860 7.860 8.090 -0.230 18091 2730 1 8 . 1 1 5 5 SER N N 523 117.450 117.450 116.452 0.998 18091 2731 1 8 . 1 1 5 5 SER HA H 523 3.890 3.890 4.554 -0.664 18091 2732 1 8 . 1 1 5 5 SER C C 523 173.320 173.320 173.169 0.151 18091 2733 1 8 . 1 1 5 5 SER CA C 523 58.460 58.460 57.772 0.688 18091 2734 1 8 . 1 1 5 5 SER CB C 523 63.690 63.690 64.239 -0.549 18091 2735 1 8 . 1 1 5 5 SER H H 523 8.300 8.300 8.280 0.020 18091 2736 1 8 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.891 -0.541 18091 2737 1 8 . 1 1 6 6 ASN C C 524 174.670 174.670 174.023 0.647 18091 2738 1 8 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.959 0.101 18091 2739 1 8 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.313 -0.603 18091 2740 1 8 . 1 1 7 7 GLU N N 525 120.970 120.970 124.245 -3.275 18091 2741 1 8 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.555 -0.215 18091 2742 1 8 . 1 1 7 7 GLU C C 525 176.900 176.900 175.378 1.522 18091 2743 1 8 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.710 0.330 18091 2744 1 8 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.633 -1.563 18091 2745 1 8 . 1 1 7 7 GLU H H 525 7.970 7.970 8.404 -0.434 18091 2746 1 8 . 1 1 8 8 THR N N 526 116.960 116.960 113.601 3.359 18091 2747 1 8 . 1 1 8 8 THR HA H 526 4.540 4.540 4.207 0.333 18091 2748 1 8 . 1 1 8 8 THR C C 526 173.410 173.410 173.344 0.066 18091 2749 1 8 . 1 1 8 8 THR CA C 526 60.080 60.080 62.294 -2.213 18091 2750 1 8 . 1 1 8 8 THR CB C 526 68.500 68.500 67.698 0.802 18091 2751 1 8 . 1 1 8 8 THR H H 526 8.630 8.630 8.574 0.056 18091 2752 1 8 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.009 0.181 18091 2753 1 8 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.060 0.050 18091 2754 1 8 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.755 -0.175 18091 2755 1 8 . 1 1 10 10 GLU N N 528 118.610 118.610 116.807 1.803 18091 2756 1 8 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.221 -0.241 18091 2757 1 8 . 1 1 10 10 GLU C C 528 178.550 178.550 178.800 -0.250 18091 2758 1 8 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.672 -0.092 18091 2759 1 8 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.062 -0.072 18091 2760 1 8 . 1 1 10 10 GLU H H 528 8.550 8.550 8.913 -0.363 18091 2761 1 8 . 1 1 11 11 GLU N N 529 121.090 121.090 119.417 1.673 18091 2762 1 8 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.061 -0.131 18091 2763 1 8 . 1 1 11 11 GLU C C 529 179.470 179.470 178.706 0.764 18091 2764 1 8 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.368 -0.418 18091 2765 1 8 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.522 -0.042 18091 2766 1 8 . 1 1 11 11 GLU H H 529 7.870 7.870 8.234 -0.364 18091 2767 1 8 . 1 1 12 12 THR N N 530 118.050 118.050 116.946 1.104 18091 2768 1 8 . 1 1 12 12 THR HA H 530 3.750 3.750 3.958 -0.208 18091 2769 1 8 . 1 1 12 12 THR C C 530 175.770 175.770 176.575 -0.805 18091 2770 1 8 . 1 1 12 12 THR CA C 530 66.320 66.320 66.799 -0.479 18091 2771 1 8 . 1 1 12 12 THR CB C 530 68.430 68.430 68.175 0.255 18091 2772 1 8 . 1 1 12 12 THR H H 530 8.390 8.390 7.332 1.058 18091 2773 1 8 . 1 1 13 13 TYR N N 531 122.280 122.280 120.287 1.993 18091 2774 1 8 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.118 -0.298 18091 2775 1 8 . 1 1 13 13 TYR C C 531 176.420 176.420 178.301 -1.881 18091 2776 1 8 . 1 1 13 13 TYR CA C 531 61.440 61.440 60.903 0.537 18091 2777 1 8 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.015 1.095 18091 2778 1 8 . 1 1 13 13 TYR H H 531 8.050 8.050 7.457 0.593 18091 2779 1 8 . 1 1 14 14 GLN N N 532 116.250 116.250 118.223 -1.973 18091 2780 1 8 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.924 -0.234 18091 2781 1 8 . 1 1 14 14 GLN C C 532 178.800 178.800 178.369 0.431 18091 2782 1 8 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.968 -0.348 18091 2783 1 8 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.455 -0.395 18091 2784 1 8 . 1 1 14 14 GLN H H 532 8.010 8.010 7.877 0.133 18091 2785 1 8 . 1 1 15 15 ARG N N 533 118.730 118.730 119.724 -0.994 18091 2786 1 8 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.012 -0.092 18091 2787 1 8 . 1 1 15 15 ARG C C 533 179.030 179.030 178.934 0.096 18091 2788 1 8 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.132 0.008 18091 2789 1 8 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.218 -0.419 18091 2790 1 8 . 1 1 15 15 ARG H H 533 7.800 7.800 7.877 -0.077 18091 2791 1 8 . 1 1 16 16 ALA N N 534 123.500 123.500 121.608 1.892 18091 2792 1 8 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.065 -0.105 18091 2793 1 8 . 1 1 16 16 ALA C C 534 178.860 178.860 179.601 -0.741 18091 2794 1 8 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.800 -0.131 18091 2795 1 8 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.497 0.233 18091 2796 1 8 . 1 1 16 16 ALA H H 534 8.210 8.210 7.916 0.294 18091 2797 1 8 . 1 1 17 17 MET N N 535 111.910 111.910 116.319 -4.409 18091 2798 1 8 . 1 1 17 17 MET HA H 535 4.020 4.020 4.183 -0.163 18091 2799 1 8 . 1 1 17 17 MET C C 535 176.890 176.890 177.339 -0.449 18091 2800 1 8 . 1 1 17 17 MET CA C 535 55.200 55.200 57.587 -2.387 18091 2801 1 8 . 1 1 17 17 MET CB C 535 31.110 31.110 32.364 -1.254 18091 2802 1 8 . 1 1 17 17 MET H H 535 7.480 7.480 8.004 -0.524 18091 2803 1 8 . 1 1 18 18 LYS N N 536 116.840 116.840 117.503 -0.663 18091 2804 1 8 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.126 -0.136 18091 2805 1 8 . 1 1 18 18 LYS C C 536 176.690 176.690 176.462 0.228 18091 2806 1 8 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.219 -0.629 18091 2807 1 8 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.465 -0.125 18091 2808 1 8 . 1 1 18 18 LYS H H 536 7.180 7.180 7.282 -0.102 18091 2809 1 8 . 1 1 19 19 ASP N N 537 122.680 122.680 120.976 1.704 18091 2810 1 8 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.913 -0.113 18091 2811 1 8 . 1 1 19 19 ASP C C 537 174.720 174.720 175.803 -1.083 18091 2812 1 8 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.126 -0.036 18091 2813 1 8 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.731 0.239 18091 2814 1 8 . 1 1 19 19 ASP H H 537 7.530 7.530 7.673 -0.143 18091 2815 1 8 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.246 -0.106 18091 2816 1 8 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.771 -0.021 18091 2817 1 8 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.152 -0.032 18091 2818 1 8 . 1 1 21 21 GLU N N 539 118.590 118.590 117.738 0.852 18091 2819 1 8 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.062 -0.052 18091 2820 1 8 . 1 1 21 21 GLU C C 539 179.010 179.010 178.905 0.105 18091 2821 1 8 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.138 -0.288 18091 2822 1 8 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.245 0.095 18091 2823 1 8 . 1 1 21 21 GLU H H 539 8.200 8.200 7.829 0.371 18091 2824 1 8 . 1 1 22 22 VAL N N 540 120.690 120.690 120.021 0.669 18091 2825 1 8 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.672 -0.442 18091 2826 1 8 . 1 1 22 22 VAL C C 540 177.740 177.740 177.860 -0.120 18091 2827 1 8 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.385 0.705 18091 2828 1 8 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.835 0.515 18091 2829 1 8 . 1 1 22 22 VAL H H 540 7.350 7.350 7.679 -0.329 18091 2830 1 8 . 1 1 23 23 ALA N N 541 121.460 121.460 122.118 -0.658 18091 2831 1 8 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.923 -0.153 18091 2832 1 8 . 1 1 23 23 ALA C C 541 179.660 179.660 179.370 0.290 18091 2833 1 8 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.320 0.070 18091 2834 1 8 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.063 -0.353 18091 2835 1 8 . 1 1 23 23 ALA H H 541 8.430 8.430 7.545 0.885 18091 2836 1 8 . 1 1 24 24 ALA N N 542 117.000 117.000 120.856 -3.856 18091 2837 1 8 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.061 -0.121 18091 2838 1 8 . 1 1 24 24 ALA C C 542 180.880 180.880 179.417 1.463 18091 2839 1 8 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.810 -0.110 18091 2840 1 8 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.291 -0.341 18091 2841 1 8 . 1 1 24 24 ALA H H 542 7.380 7.380 7.479 -0.099 18091 2842 1 8 . 1 1 25 25 ILE N N 543 119.750 119.750 118.172 1.578 18091 2843 1 8 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.736 -0.046 18091 2844 1 8 . 1 1 25 25 ILE C C 543 177.450 177.450 178.372 -0.922 18091 2845 1 8 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.684 0.276 18091 2846 1 8 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.181 0.099 18091 2847 1 8 . 1 1 25 25 ILE H H 543 7.380 7.380 7.394 -0.014 18091 2848 1 8 . 1 1 26 26 MET N N 544 113.830 113.830 117.120 -3.290 18091 2849 1 8 . 1 1 26 26 MET HA H 544 4.140 4.140 4.100 0.040 18091 2850 1 8 . 1 1 26 26 MET C C 544 177.680 177.680 177.848 -0.168 18091 2851 1 8 . 1 1 26 26 MET CA C 544 55.660 55.660 58.028 -2.368 18091 2852 1 8 . 1 1 26 26 MET CB C 544 30.690 30.690 32.307 -1.617 18091 2853 1 8 . 1 1 26 26 MET H H 544 7.870 7.870 7.909 -0.039 18091 2854 1 8 . 1 1 27 27 GLN N N 545 115.210 115.210 117.049 -1.839 18091 2855 1 8 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.118 -0.038 18091 2856 1 8 . 1 1 27 27 GLN C C 545 175.170 175.170 175.936 -0.766 18091 2857 1 8 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.939 -1.499 18091 2858 1 8 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.802 0.188 18091 2859 1 8 . 1 1 27 27 GLN H H 545 7.340 7.340 7.661 -0.321 18091 2860 1 8 . 1 1 28 28 ASP N N 546 123.270 123.270 117.290 5.980 18091 2861 1 8 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.413 0.307 18091 2862 1 8 . 1 1 28 28 ASP C C 546 175.220 175.220 174.513 0.707 18091 2863 1 8 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.202 -5.862 18091 2864 1 8 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.678 3.702 18091 2865 1 8 . 1 1 28 28 ASP H H 546 7.320 7.320 8.248 -0.927 18091 2866 1 8 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.201 -0.081 18091 2867 1 8 . 1 1 29 29 PRO CA C 547 64.920 64.920 66.017 -1.097 18091 2868 1 8 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.746 0.514 18091 2869 1 8 . 1 1 30 30 VAL N N 548 119.870 119.870 118.323 1.547 18091 2870 1 8 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.655 -0.075 18091 2871 1 8 . 1 1 30 30 VAL C C 548 179.010 179.010 178.253 0.757 18091 2872 1 8 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.252 -0.252 18091 2873 1 8 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.644 -0.534 18091 2874 1 8 . 1 1 30 30 VAL H H 548 8.000 8.000 7.818 0.182 18091 2875 1 8 . 1 1 31 31 MET N N 549 118.270 118.270 117.818 0.452 18091 2876 1 8 . 1 1 31 31 MET HA H 549 4.340 4.340 3.985 0.355 18091 2877 1 8 . 1 1 31 31 MET C C 549 178.830 178.830 178.185 0.645 18091 2878 1 8 . 1 1 31 31 MET CA C 549 55.140 55.140 58.901 -3.761 18091 2879 1 8 . 1 1 31 31 MET CB C 549 28.840 28.840 32.179 -3.339 18091 2880 1 8 . 1 1 31 31 MET H H 549 7.250 7.250 7.642 -0.392 18091 2881 1 8 . 1 1 32 32 GLN N N 550 118.190 118.190 119.730 -1.540 18091 2882 1 8 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.922 -0.182 18091 2883 1 8 . 1 1 32 32 GLN C C 550 178.840 178.840 178.116 0.724 18091 2884 1 8 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.450 -0.030 18091 2885 1 8 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.561 -0.900 18091 2886 1 8 . 1 1 32 32 GLN H H 550 8.310 8.310 7.843 0.467 18091 2887 1 8 . 1 1 33 33 SER N N 551 114.010 114.010 115.180 -1.170 18091 2888 1 8 . 1 1 33 33 SER HA H 551 4.140 4.140 4.177 -0.037 18091 2889 1 8 . 1 1 33 33 SER C C 551 176.840 176.840 176.680 0.160 18091 2890 1 8 . 1 1 33 33 SER CA C 551 61.330 61.330 61.684 -0.354 18091 2891 1 8 . 1 1 33 33 SER CB C 551 62.450 62.450 63.024 -0.574 18091 2892 1 8 . 1 1 33 33 SER H H 551 7.570 7.570 7.601 -0.031 18091 2893 1 8 . 1 1 34 34 ILE N N 552 123.490 123.490 121.915 1.575 18091 2894 1 8 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.640 -0.360 18091 2895 1 8 . 1 1 34 34 ILE C C 552 177.630 177.630 178.035 -0.405 18091 2896 1 8 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.417 0.263 18091 2897 1 8 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.666 0.054 18091 2898 1 8 . 1 1 34 34 ILE H H 552 7.600 7.600 7.444 0.156 18091 2899 1 8 . 1 1 35 35 LEU N N 553 119.520 119.520 119.491 0.029 18091 2900 1 8 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.801 -0.051 18091 2901 1 8 . 1 1 35 35 LEU C C 553 179.440 179.440 179.145 0.295 18091 2902 1 8 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.358 -0.408 18091 2903 1 8 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.237 -0.537 18091 2904 1 8 . 1 1 35 35 LEU H H 553 8.330 8.330 7.962 0.368 18091 2905 1 8 . 1 1 36 36 GLN N N 554 118.590 118.590 117.414 1.176 18091 2906 1 8 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.895 0.025 18091 2907 1 8 . 1 1 36 36 GLN C C 554 178.560 178.560 178.766 -0.206 18091 2908 1 8 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.004 -0.344 18091 2909 1 8 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.535 -0.475 18091 2910 1 8 . 1 1 36 36 GLN H H 554 7.800 7.800 7.909 -0.109 18091 2911 1 8 . 1 1 37 37 GLN N N 555 119.520 119.520 119.955 -0.435 18091 2912 1 8 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.027 -0.097 18091 2913 1 8 . 1 1 37 37 GLN C C 555 178.400 178.400 178.353 0.047 18091 2914 1 8 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.676 -0.146 18091 2915 1 8 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.853 -0.063 18091 2916 1 8 . 1 1 37 37 GLN H H 555 7.990 7.990 7.969 0.021 18091 2917 1 8 . 1 1 38 38 ALA N N 556 120.730 120.730 120.490 0.240 18091 2918 1 8 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.299 -0.189 18091 2919 1 8 . 1 1 38 38 ALA C C 556 178.310 178.310 179.635 -1.325 18091 2920 1 8 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.589 -1.089 18091 2921 1 8 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.251 0.119 18091 2922 1 8 . 1 1 38 38 ALA H H 556 8.310 8.310 8.165 0.145 18091 2923 1 8 . 1 1 39 39 GLN N N 557 115.600 115.600 118.956 -3.356 18091 2924 1 8 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.054 -0.094 18091 2925 1 8 . 1 1 39 39 GLN C C 557 177.260 177.260 178.266 -1.006 18091 2926 1 8 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.319 -0.399 18091 2927 1 8 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.721 -0.241 18091 2928 1 8 . 1 1 39 39 GLN H H 557 7.530 7.530 7.749 -0.219 18091 2929 1 8 . 1 1 40 40 GLN N N 558 115.310 115.310 116.266 -0.956 18091 2930 1 8 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.198 -0.018 18091 2931 1 8 . 1 1 40 40 GLN C C 558 176.030 176.030 176.190 -0.160 18091 2932 1 8 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.339 -0.789 18091 2933 1 8 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.944 -0.624 18091 2934 1 8 . 1 1 40 40 GLN H H 558 7.350 7.350 7.657 -0.307 18091 2935 1 8 . 1 1 41 41 ASN N N 559 114.850 114.850 115.647 -0.797 18091 2936 1 8 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.078 -0.128 18091 2937 1 8 . 1 1 41 41 ASN C C 559 172.420 172.420 173.299 -0.879 18091 2938 1 8 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.159 -0.729 18091 2939 1 8 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.261 -1.381 18091 2940 1 8 . 1 1 41 41 ASN H H 559 7.900 7.900 7.881 0.019 18091 2941 1 8 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.397 -0.067 18091 2942 1 8 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.917 0.083 18091 2943 1 8 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.106 -0.426 18091 2944 1 8 . 1 1 43 43 ALA N N 561 119.920 119.920 121.553 -1.633 18091 2945 1 8 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.237 -0.107 18091 2946 1 8 . 1 1 43 43 ALA C C 561 179.510 179.510 178.841 0.669 18091 2947 1 8 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.445 -0.395 18091 2948 1 8 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.014 0.036 18091 2949 1 8 . 1 1 43 43 ALA H H 561 7.850 7.850 7.701 0.149 18091 2950 1 8 . 1 1 44 44 ALA N N 562 120.790 120.790 121.083 -0.293 18091 2951 1 8 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.288 -0.268 18091 2952 1 8 . 1 1 44 44 ALA C C 562 179.570 179.570 179.155 0.415 18091 2953 1 8 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.705 -0.585 18091 2954 1 8 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.543 -0.343 18091 2955 1 8 . 1 1 44 44 ALA H H 562 7.980 7.980 7.997 -0.017 18091 2956 1 8 . 1 1 45 45 LEU N N 563 116.420 116.420 117.383 -0.963 18091 2957 1 8 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.402 -0.422 18091 2958 1 8 . 1 1 45 45 LEU C C 563 178.220 178.220 178.756 -0.536 18091 2959 1 8 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.420 0.220 18091 2960 1 8 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.236 0.454 18091 2961 1 8 . 1 1 45 45 LEU H H 563 7.510 7.510 7.388 0.122 18091 2962 1 8 . 1 1 46 46 GLN N N 564 115.510 115.510 119.274 -3.764 18091 2963 1 8 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.956 -0.096 18091 2964 1 8 . 1 1 46 46 GLN C C 564 178.300 178.300 178.360 -0.060 18091 2965 1 8 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.479 -0.759 18091 2966 1 8 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.316 -0.296 18091 2967 1 8 . 1 1 46 46 GLN H H 564 7.510 7.510 7.621 -0.111 18091 2968 1 8 . 1 1 47 47 GLU N N 565 117.680 117.680 118.672 -0.992 18091 2969 1 8 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.939 -0.039 18091 2970 1 8 . 1 1 47 47 GLU C C 565 179.070 179.070 179.081 -0.011 18091 2971 1 8 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.965 -0.585 18091 2972 1 8 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.960 0.030 18091 2973 1 8 . 1 1 47 47 GLU H H 565 7.440 7.440 7.902 -0.462 18091 2974 1 8 . 1 1 48 48 HIS N N 566 118.220 118.220 119.289 -1.069 18091 2975 1 8 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.292 0.088 18091 2976 1 8 . 1 1 48 48 HIS C C 566 177.280 177.280 176.794 0.486 18091 2977 1 8 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.695 0.165 18091 2978 1 8 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.760 1.680 18091 2979 1 8 . 1 1 48 48 HIS H H 566 7.420 7.420 7.601 -0.181 18091 2980 1 8 . 1 1 49 49 MET N N 567 115.200 115.200 117.410 -2.210 18091 2981 1 8 . 1 1 49 49 MET HA H 567 3.840 3.840 4.299 -0.459 18091 2982 1 8 . 1 1 49 49 MET C C 567 175.260 175.260 177.959 -2.699 18091 2983 1 8 . 1 1 49 49 MET CA C 567 57.840 57.840 58.510 -0.670 18091 2984 1 8 . 1 1 49 49 MET CB C 567 33.080 33.080 32.770 0.310 18091 2985 1 8 . 1 1 49 49 MET H H 567 7.710 7.710 7.869 -0.159 18091 2986 1 8 . 1 1 50 50 LYS N N 568 116.040 116.040 116.672 -0.632 18091 2987 1 8 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.027 -0.067 18091 2988 1 8 . 1 1 50 50 LYS C C 568 176.220 176.220 177.314 -1.094 18091 2989 1 8 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.633 -0.243 18091 2990 1 8 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.584 -0.364 18091 2991 1 8 . 1 1 50 50 LYS H H 568 7.140 7.140 7.598 -0.458 18091 2992 1 8 . 1 1 51 51 ASN N N 569 119.600 119.600 119.353 0.247 18091 2993 1 8 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.736 0.284 18091 2994 1 8 . 1 1 51 51 ASN C C 569 173.920 173.920 175.055 -1.135 18091 2995 1 8 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.011 -2.061 18091 2996 1 8 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.554 -0.554 18091 2997 1 8 . 1 1 51 51 ASN H H 569 7.480 7.480 7.867 -0.387 18091 2998 1 8 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.298 -0.038 18091 2999 1 8 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.869 -0.759 18091 3000 1 8 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.039 0.231 18091 3001 1 8 . 1 1 53 53 GLU N N 571 116.870 116.870 119.988 -3.118 18091 3002 1 8 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.181 -0.111 18091 3003 1 8 . 1 1 53 53 GLU C C 571 178.830 178.830 178.840 -0.010 18091 3004 1 8 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.561 -0.681 18091 3005 1 8 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.404 0.026 18091 3006 1 8 . 1 1 53 53 GLU H H 571 7.960 7.960 8.793 -0.833 18091 3007 1 8 . 1 1 54 54 VAL N N 572 118.290 118.290 119.456 -1.166 18091 3008 1 8 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091 3009 1 8 . 1 1 54 54 VAL C C 572 177.620 177.620 177.837 -0.217 18091 3010 1 8 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.655 -0.555 18091 3011 1 8 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.639 0.571 18091 3012 1 8 . 1 1 54 54 VAL H H 572 7.330 7.330 7.780 -0.450 18091 3013 1 8 . 1 1 55 55 PHE N N 573 121.090 121.090 121.884 -0.794 18091 3014 1 8 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.168 -0.279 18091 3015 1 8 . 1 1 55 55 PHE C C 573 176.760 176.760 176.892 -0.132 18091 3016 1 8 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.689 0.541 18091 3017 1 8 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.927 -0.307 18091 3018 1 8 . 1 1 55 55 PHE H H 573 8.700 8.700 8.921 -0.221 18091 3019 1 8 . 1 1 56 56 LYS N N 574 116.910 116.910 118.652 -1.742 18091 3020 1 8 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.697 0.093 18091 3021 1 8 . 1 1 56 56 LYS C C 574 178.980 178.980 179.014 -0.034 18091 3022 1 8 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.607 -0.127 18091 3023 1 8 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.217 -0.017 18091 3024 1 8 . 1 1 56 56 LYS H H 574 7.800 7.800 7.840 -0.040 18091 3025 1 8 . 1 1 57 57 LYS N N 575 119.120 119.120 119.525 -0.405 18091 3026 1 8 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.010 -0.100 18091 3027 1 8 . 1 1 57 57 LYS C C 575 178.520 178.520 179.080 -0.560 18091 3028 1 8 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.510 0.440 18091 3029 1 8 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.404 0.656 18091 3030 1 8 . 1 1 57 57 LYS H H 575 7.170 7.170 7.267 -0.097 18091 3031 1 8 . 1 1 58 58 ILE N N 576 119.180 119.180 119.599 -0.419 18091 3032 1 8 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.639 -0.319 18091 3033 1 8 . 1 1 58 58 ILE C C 576 177.820 177.820 178.248 -0.428 18091 3034 1 8 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.481 0.049 18091 3035 1 8 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.043 -0.793 18091 3036 1 8 . 1 1 58 58 ILE H H 576 8.300 8.300 8.494 -0.194 18091 3037 1 8 . 1 1 59 59 GLN N N 577 118.000 118.000 118.557 -0.557 18091 3038 1 8 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.762 -0.092 18091 3039 1 8 . 1 1 59 59 GLN C C 577 179.250 179.250 178.515 0.735 18091 3040 1 8 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.362 -0.242 18091 3041 1 8 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.322 -0.482 18091 3042 1 8 . 1 1 59 59 GLN H H 577 8.180 8.180 7.904 0.276 18091 3043 1 8 . 1 1 60 60 THR N N 578 118.670 118.670 117.293 1.377 18091 3044 1 8 . 1 1 60 60 THR HA H 578 3.760 3.760 3.962 -0.202 18091 3045 1 8 . 1 1 60 60 THR C C 578 176.060 176.060 176.527 -0.467 18091 3046 1 8 . 1 1 60 60 THR CA C 578 66.890 66.890 66.837 0.053 18091 3047 1 8 . 1 1 60 60 THR CB C 578 68.030 68.030 68.333 -0.303 18091 3048 1 8 . 1 1 60 60 THR H H 578 7.780 7.780 7.755 0.025 18091 3049 1 8 . 1 1 61 61 LEU N N 579 120.680 120.680 120.604 0.076 18091 3050 1 8 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.034 -0.184 18091 3051 1 8 . 1 1 61 61 LEU C C 579 179.590 179.590 178.652 0.938 18091 3052 1 8 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.778 -0.128 18091 3053 1 8 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.402 -0.422 18091 3054 1 8 . 1 1 61 61 LEU H H 579 7.620 7.620 7.453 0.167 18091 3055 1 8 . 1 1 62 62 ILE N N 580 122.880 122.880 120.311 2.569 18091 3056 1 8 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.755 0.275 18091 3057 1 8 . 1 1 62 62 ILE C C 580 180.260 180.260 179.011 1.249 18091 3058 1 8 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.015 -0.285 18091 3059 1 8 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.754 0.556 18091 3060 1 8 . 1 1 62 62 ILE H H 580 8.540 8.540 7.572 0.968 18091 3061 1 8 . 1 1 63 63 ALA N N 581 124.510 124.510 122.823 1.687 18091 3062 1 8 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.056 -0.086 18091 3063 1 8 . 1 1 63 63 ALA C C 581 179.000 179.000 178.795 0.205 18091 3064 1 8 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.741 0.099 18091 3065 1 8 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.359 -0.859 18091 3066 1 8 . 1 1 63 63 ALA H H 581 8.120 8.120 8.168 -0.048 18091 3067 1 8 . 1 1 64 64 ALA N N 582 116.250 116.250 118.673 -2.423 18091 3068 1 8 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.290 -0.150 18091 3069 1 8 . 1 1 64 64 ALA C C 582 177.040 177.040 177.720 -0.680 18091 3070 1 8 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.703 0.477 18091 3071 1 8 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.902 0.958 18091 3072 1 8 . 1 1 64 64 ALA H H 582 7.470 7.470 7.554 -0.084 18091 3073 1 8 . 1 1 65 65 GLY N N 583 104.540 104.540 106.687 -2.147 18091 3074 1 8 . 1 1 65 65 GLY C C 583 174.180 174.180 174.964 -0.784 18091 3075 1 8 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.874 -1.084 18091 3076 1 8 . 1 1 65 65 GLY H H 583 7.600 7.600 7.649 -0.049 18091 3077 1 8 . 1 1 66 66 ILE N N 584 118.630 118.630 117.667 0.963 18091 3078 1 8 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.113 -0.353 18091 3079 1 8 . 1 1 66 66 ILE C C 584 175.660 175.660 175.649 0.011 18091 3080 1 8 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.453 -0.903 18091 3081 1 8 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.858 -1.248 18091 3082 1 8 . 1 1 66 66 ILE H H 584 7.590 7.590 7.697 -0.107 18091 3083 1 8 . 1 1 67 67 ILE N N 585 116.360 116.360 119.298 -2.938 18091 3084 1 8 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.337 -0.167 18091 3085 1 8 . 1 1 67 67 ILE C C 585 174.370 174.370 174.750 -0.380 18091 3086 1 8 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.127 -0.647 18091 3087 1 8 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.761 -1.131 18091 3088 1 8 . 1 1 67 67 ILE H H 585 6.490 6.490 7.356 -0.866 18091 3089 1 8 . 1 1 68 68 ARG N N 586 125.450 125.450 125.978 -0.528 18091 3090 1 8 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.578 -0.198 18091 3091 1 8 . 1 1 68 68 ARG C C 586 175.720 175.720 175.780 -0.060 18091 3092 1 8 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.093 -1.173 18091 3093 1 8 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.446 0.874 18091 3094 1 8 . 1 1 68 68 ARG H H 586 8.500 8.500 8.602 -0.102 18091 3095 1 8 . 1 1 69 69 THR N N 587 113.710 113.710 114.087 -0.377 18091 3096 1 8 . 1 1 69 69 THR HA H 587 4.300 4.300 4.790 -0.490 18091 3097 1 8 . 1 1 69 69 THR C C 587 174.760 174.760 174.314 0.446 18091 3098 1 8 . 1 1 69 69 THR CA C 587 61.300 61.300 61.284 0.016 18091 3099 1 8 . 1 1 69 69 THR CB C 587 69.720 69.720 70.633 -0.913 18091 3100 1 8 . 1 1 69 69 THR H H 587 8.250 8.250 8.411 -0.161 18091 3101 1 8 . 1 1 70 70 GLY N N 588 110.720 110.720 109.305 1.415 18091 3102 1 8 . 1 1 70 70 GLY C C 588 172.820 172.820 173.183 -0.363 18091 3103 1 8 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.322 0.838 18091 3104 1 8 . 1 1 70 70 GLY H H 588 8.230 8.230 8.842 -0.612 18091 3105 1 9 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.649 -0.419 18091 3106 1 9 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.693 0.557 18091 3107 1 9 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.407 -0.447 18091 3108 1 9 . 1 1 3 3 GLY N N 521 109.400 109.400 107.336 2.064 18091 3109 1 9 . 1 1 3 3 GLY C C 521 174.300 174.300 175.340 -1.040 18091 3110 1 9 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.935 0.244 18091 3111 1 9 . 1 1 3 3 GLY H H 521 8.490 8.490 8.197 0.293 18091 3112 1 9 . 1 1 4 4 THR N N 522 112.480 112.480 111.939 0.541 18091 3113 1 9 . 1 1 4 4 THR HA H 522 4.300 4.300 4.244 0.056 18091 3114 1 9 . 1 1 4 4 THR C C 522 174.690 174.690 175.903 -1.213 18091 3115 1 9 . 1 1 4 4 THR CA C 522 61.240 61.240 63.550 -2.310 18091 3116 1 9 . 1 1 4 4 THR CB C 522 69.960 69.960 69.103 0.857 18091 3117 1 9 . 1 1 4 4 THR H H 522 7.860 7.860 8.018 -0.158 18091 3118 1 9 . 1 1 5 5 SER N N 523 117.450 117.450 117.113 0.337 18091 3119 1 9 . 1 1 5 5 SER HA H 523 3.890 3.890 4.245 -0.355 18091 3120 1 9 . 1 1 5 5 SER C C 523 173.320 173.320 173.993 -0.673 18091 3121 1 9 . 1 1 5 5 SER CA C 523 58.460 58.460 59.835 -1.375 18091 3122 1 9 . 1 1 5 5 SER CB C 523 63.690 63.690 63.315 0.375 18091 3123 1 9 . 1 1 5 5 SER H H 523 8.300 8.300 7.944 0.356 18091 3124 1 9 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.849 -0.499 18091 3125 1 9 . 1 1 6 6 ASN C C 524 174.670 174.670 173.644 1.026 18091 3126 1 9 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.999 0.061 18091 3127 1 9 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.910 -0.200 18091 3128 1 9 . 1 1 7 7 GLU N N 525 120.970 120.970 122.631 -1.661 18091 3129 1 9 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.435 -0.095 18091 3130 1 9 . 1 1 7 7 GLU C C 525 176.900 176.900 174.846 2.054 18091 3131 1 9 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.944 0.096 18091 3132 1 9 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.269 -1.199 18091 3133 1 9 . 1 1 7 7 GLU H H 525 7.970 7.970 8.363 -0.393 18091 3134 1 9 . 1 1 8 8 THR N N 526 116.960 116.960 113.586 3.374 18091 3135 1 9 . 1 1 8 8 THR HA H 526 4.540 4.540 4.053 0.487 18091 3136 1 9 . 1 1 8 8 THR C C 526 173.410 173.410 173.953 -0.543 18091 3137 1 9 . 1 1 8 8 THR CA C 526 60.080 60.080 63.613 -3.533 18091 3138 1 9 . 1 1 8 8 THR CB C 526 68.500 68.500 66.664 1.836 18091 3139 1 9 . 1 1 8 8 THR H H 526 8.630 8.630 8.205 0.425 18091 3140 1 9 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.186 0.004 18091 3141 1 9 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.227 -0.117 18091 3142 1 9 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.801 -0.221 18091 3143 1 9 . 1 1 10 10 GLU N N 528 118.610 118.610 117.496 1.114 18091 3144 1 9 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.943 0.037 18091 3145 1 9 . 1 1 10 10 GLU C C 528 178.550 178.550 178.473 0.077 18091 3146 1 9 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.421 0.159 18091 3147 1 9 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.161 -0.171 18091 3148 1 9 . 1 1 10 10 GLU H H 528 8.550 8.550 8.860 -0.310 18091 3149 1 9 . 1 1 11 11 GLU N N 529 121.090 121.090 118.558 2.532 18091 3150 1 9 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.099 -0.169 18091 3151 1 9 . 1 1 11 11 GLU C C 529 179.470 179.470 178.525 0.945 18091 3152 1 9 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.768 -0.818 18091 3153 1 9 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.489 -0.009 18091 3154 1 9 . 1 1 11 11 GLU H H 529 7.870 7.870 8.359 -0.489 18091 3155 1 9 . 1 1 12 12 THR N N 530 118.050 118.050 117.045 1.005 18091 3156 1 9 . 1 1 12 12 THR HA H 530 3.750 3.750 4.042 -0.292 18091 3157 1 9 . 1 1 12 12 THR C C 530 175.770 175.770 176.764 -0.994 18091 3158 1 9 . 1 1 12 12 THR CA C 530 66.320 66.320 66.835 -0.515 18091 3159 1 9 . 1 1 12 12 THR CB C 530 68.430 68.430 68.333 0.097 18091 3160 1 9 . 1 1 12 12 THR H H 530 8.390 8.390 7.455 0.935 18091 3161 1 9 . 1 1 13 13 TYR N N 531 122.280 122.280 120.852 1.428 18091 3162 1 9 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.059 -0.239 18091 3163 1 9 . 1 1 13 13 TYR C C 531 176.420 176.420 178.230 -1.810 18091 3164 1 9 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.159 -0.719 18091 3165 1 9 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.593 0.517 18091 3166 1 9 . 1 1 13 13 TYR H H 531 8.050 8.050 8.082 -0.032 18091 3167 1 9 . 1 1 14 14 GLN N N 532 116.250 116.250 118.101 -1.851 18091 3168 1 9 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.913 -0.223 18091 3169 1 9 . 1 1 14 14 GLN C C 532 178.800 178.800 178.333 0.467 18091 3170 1 9 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.010 -0.390 18091 3171 1 9 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.474 -0.414 18091 3172 1 9 . 1 1 14 14 GLN H H 532 8.010 8.010 7.911 0.099 18091 3173 1 9 . 1 1 15 15 ARG N N 533 118.730 118.730 119.713 -0.983 18091 3174 1 9 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.008 -0.088 18091 3175 1 9 . 1 1 15 15 ARG C C 533 179.030 179.030 178.975 0.055 18091 3176 1 9 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.129 0.011 18091 3177 1 9 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.211 -0.411 18091 3178 1 9 . 1 1 15 15 ARG H H 533 7.800 7.800 7.820 -0.020 18091 3179 1 9 . 1 1 16 16 ALA N N 534 123.500 123.500 121.931 1.569 18091 3180 1 9 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.076 -0.116 18091 3181 1 9 . 1 1 16 16 ALA C C 534 178.860 178.860 179.898 -1.038 18091 3182 1 9 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.726 -0.056 18091 3183 1 9 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.172 0.558 18091 3184 1 9 . 1 1 16 16 ALA H H 534 8.210 8.210 7.981 0.229 18091 3185 1 9 . 1 1 17 17 MET N N 535 111.910 111.910 116.308 -4.398 18091 3186 1 9 . 1 1 17 17 MET HA H 535 4.020 4.020 4.202 -0.182 18091 3187 1 9 . 1 1 17 17 MET C C 535 176.890 176.890 177.292 -0.402 18091 3188 1 9 . 1 1 17 17 MET CA C 535 55.200 55.200 57.612 -2.412 18091 3189 1 9 . 1 1 17 17 MET CB C 535 31.110 31.110 32.588 -1.478 18091 3190 1 9 . 1 1 17 17 MET H H 535 7.480 7.480 7.933 -0.453 18091 3191 1 9 . 1 1 18 18 LYS N N 536 116.840 116.840 117.325 -0.485 18091 3192 1 9 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.199 -0.209 18091 3193 1 9 . 1 1 18 18 LYS C C 536 176.690 176.690 176.405 0.285 18091 3194 1 9 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.879 -0.289 18091 3195 1 9 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.578 -0.238 18091 3196 1 9 . 1 1 18 18 LYS H H 536 7.180 7.180 7.325 -0.145 18091 3197 1 9 . 1 1 19 19 ASP N N 537 122.680 122.680 121.325 1.355 18091 3198 1 9 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.891 -0.091 18091 3199 1 9 . 1 1 19 19 ASP C C 537 174.720 174.720 175.302 -0.582 18091 3200 1 9 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.238 -0.148 18091 3201 1 9 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.363 0.607 18091 3202 1 9 . 1 1 19 19 ASP H H 537 7.530 7.530 7.640 -0.110 18091 3203 1 9 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.226 -0.086 18091 3204 1 9 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.055 -0.305 18091 3205 1 9 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.039 0.081 18091 3206 1 9 . 1 1 21 21 GLU N N 539 118.590 118.590 117.819 0.771 18091 3207 1 9 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.071 -0.061 18091 3208 1 9 . 1 1 21 21 GLU C C 539 179.010 179.010 178.940 0.070 18091 3209 1 9 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.310 -0.461 18091 3210 1 9 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.051 0.289 18091 3211 1 9 . 1 1 21 21 GLU H H 539 8.200 8.200 8.537 -0.337 18091 3212 1 9 . 1 1 22 22 VAL N N 540 120.690 120.690 120.715 -0.025 18091 3213 1 9 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.499 -0.269 18091 3214 1 9 . 1 1 22 22 VAL C C 540 177.740 177.740 177.752 -0.012 18091 3215 1 9 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.338 -0.248 18091 3216 1 9 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.473 -0.123 18091 3217 1 9 . 1 1 22 22 VAL H H 540 7.350 7.350 7.581 -0.231 18091 3218 1 9 . 1 1 23 23 ALA N N 541 121.460 121.460 122.041 -0.581 18091 3219 1 9 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.909 -0.139 18091 3220 1 9 . 1 1 23 23 ALA C C 541 179.660 179.660 179.136 0.524 18091 3221 1 9 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.194 0.196 18091 3222 1 9 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.084 -0.374 18091 3223 1 9 . 1 1 23 23 ALA H H 541 8.430 8.430 7.660 0.770 18091 3224 1 9 . 1 1 24 24 ALA N N 542 117.000 117.000 120.665 -3.665 18091 3225 1 9 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.031 -0.091 18091 3226 1 9 . 1 1 24 24 ALA C C 542 180.880 180.880 179.542 1.338 18091 3227 1 9 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.602 0.098 18091 3228 1 9 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.584 -0.634 18091 3229 1 9 . 1 1 24 24 ALA H H 542 7.380 7.380 7.661 -0.281 18091 3230 1 9 . 1 1 25 25 ILE N N 543 119.750 119.750 118.124 1.626 18091 3231 1 9 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.716 -0.026 18091 3232 1 9 . 1 1 25 25 ILE C C 543 177.450 177.450 178.442 -0.992 18091 3233 1 9 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.974 -0.014 18091 3234 1 9 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.228 0.052 18091 3235 1 9 . 1 1 25 25 ILE H H 543 7.380 7.380 7.602 -0.222 18091 3236 1 9 . 1 1 26 26 MET N N 544 113.830 113.830 116.852 -3.022 18091 3237 1 9 . 1 1 26 26 MET HA H 544 4.140 4.140 4.100 0.040 18091 3238 1 9 . 1 1 26 26 MET C C 544 177.680 177.680 177.769 -0.089 18091 3239 1 9 . 1 1 26 26 MET CA C 544 55.660 55.660 58.428 -2.768 18091 3240 1 9 . 1 1 26 26 MET CB C 544 30.690 30.690 32.364 -1.674 18091 3241 1 9 . 1 1 26 26 MET H H 544 7.870 7.870 8.045 -0.175 18091 3242 1 9 . 1 1 27 27 GLN N N 545 115.210 115.210 116.080 -0.870 18091 3243 1 9 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.283 -0.203 18091 3244 1 9 . 1 1 27 27 GLN C C 545 175.170 175.170 175.845 -0.675 18091 3245 1 9 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.101 -0.661 18091 3246 1 9 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.124 -0.134 18091 3247 1 9 . 1 1 27 27 GLN H H 545 7.340 7.340 7.428 -0.088 18091 3248 1 9 . 1 1 28 28 ASP N N 546 123.270 123.270 119.958 3.312 18091 3249 1 9 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.025 -0.305 18091 3250 1 9 . 1 1 28 28 ASP C C 546 175.220 175.220 175.239 -0.019 18091 3251 1 9 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.741 0.599 18091 3252 1 9 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.507 -0.127 18091 3253 1 9 . 1 1 28 28 ASP H H 546 7.320 7.320 8.030 -0.710 18091 3254 1 9 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.366 -0.246 18091 3255 1 9 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.961 0.959 18091 3256 1 9 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.575 -0.315 18091 3257 1 9 . 1 1 30 30 VAL N N 548 119.870 119.870 119.178 0.692 18091 3258 1 9 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.611 -0.031 18091 3259 1 9 . 1 1 30 30 VAL C C 548 179.010 179.010 177.681 1.329 18091 3260 1 9 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.277 -0.277 18091 3261 1 9 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.622 -0.511 18091 3262 1 9 . 1 1 30 30 VAL H H 548 8.000 8.000 7.789 0.211 18091 3263 1 9 . 1 1 31 31 MET N N 549 118.270 118.270 116.320 1.950 18091 3264 1 9 . 1 1 31 31 MET HA H 549 4.340 4.340 3.997 0.343 18091 3265 1 9 . 1 1 31 31 MET C C 549 178.830 178.830 178.058 0.772 18091 3266 1 9 . 1 1 31 31 MET CA C 549 55.140 55.140 58.928 -3.788 18091 3267 1 9 . 1 1 31 31 MET CB C 549 28.840 28.840 32.180 -3.340 18091 3268 1 9 . 1 1 31 31 MET H H 549 7.250 7.250 7.489 -0.239 18091 3269 1 9 . 1 1 32 32 GLN N N 550 118.190 118.190 120.075 -1.885 18091 3270 1 9 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.963 -0.223 18091 3271 1 9 . 1 1 32 32 GLN C C 550 178.840 178.840 178.374 0.466 18091 3272 1 9 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.306 0.114 18091 3273 1 9 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.416 -0.756 18091 3274 1 9 . 1 1 32 32 GLN H H 550 8.310 8.310 7.843 0.467 18091 3275 1 9 . 1 1 33 33 SER N N 551 114.010 114.010 115.980 -1.970 18091 3276 1 9 . 1 1 33 33 SER HA H 551 4.140 4.140 4.156 -0.016 18091 3277 1 9 . 1 1 33 33 SER C C 551 176.840 176.840 176.851 -0.011 18091 3278 1 9 . 1 1 33 33 SER CA C 551 61.330 61.330 62.340 -1.010 18091 3279 1 9 . 1 1 33 33 SER CB C 551 62.450 62.450 63.002 -0.552 18091 3280 1 9 . 1 1 33 33 SER H H 551 7.570 7.570 7.595 -0.025 18091 3281 1 9 . 1 1 34 34 ILE N N 552 123.490 123.490 122.206 1.284 18091 3282 1 9 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.510 -0.230 18091 3283 1 9 . 1 1 34 34 ILE C C 552 177.630 177.630 177.704 -0.074 18091 3284 1 9 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.943 0.737 18091 3285 1 9 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.378 0.342 18091 3286 1 9 . 1 1 34 34 ILE H H 552 7.600 7.600 7.494 0.106 18091 3287 1 9 . 1 1 35 35 LEU N N 553 119.520 119.520 119.607 -0.087 18091 3288 1 9 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.803 -0.053 18091 3289 1 9 . 1 1 35 35 LEU C C 553 179.440 179.440 179.205 0.235 18091 3290 1 9 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.079 -0.129 18091 3291 1 9 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.304 -0.605 18091 3292 1 9 . 1 1 35 35 LEU H H 553 8.330 8.330 7.827 0.503 18091 3293 1 9 . 1 1 36 36 GLN N N 554 118.590 118.590 117.257 1.333 18091 3294 1 9 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.853 0.067 18091 3295 1 9 . 1 1 36 36 GLN C C 554 178.560 178.560 178.658 -0.098 18091 3296 1 9 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.116 -0.456 18091 3297 1 9 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.429 -0.369 18091 3298 1 9 . 1 1 36 36 GLN H H 554 7.800 7.800 7.907 -0.107 18091 3299 1 9 . 1 1 37 37 GLN N N 555 119.520 119.520 119.685 -0.165 18091 3300 1 9 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.082 -0.152 18091 3301 1 9 . 1 1 37 37 GLN C C 555 178.400 178.400 178.139 0.261 18091 3302 1 9 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.491 0.039 18091 3303 1 9 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.425 0.365 18091 3304 1 9 . 1 1 37 37 GLN H H 555 7.990 7.990 7.985 0.005 18091 3305 1 9 . 1 1 38 38 ALA N N 556 120.730 120.730 121.482 -0.752 18091 3306 1 9 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.399 -0.289 18091 3307 1 9 . 1 1 38 38 ALA C C 556 178.310 178.310 179.638 -1.328 18091 3308 1 9 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.742 -1.242 18091 3309 1 9 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.318 0.052 18091 3310 1 9 . 1 1 38 38 ALA H H 556 8.310 8.310 7.917 0.393 18091 3311 1 9 . 1 1 39 39 GLN N N 557 115.600 115.600 118.048 -2.448 18091 3312 1 9 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.047 -0.087 18091 3313 1 9 . 1 1 39 39 GLN C C 557 177.260 177.260 178.606 -1.346 18091 3314 1 9 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.412 -0.492 18091 3315 1 9 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.587 -0.107 18091 3316 1 9 . 1 1 39 39 GLN H H 557 7.530 7.530 7.774 -0.244 18091 3317 1 9 . 1 1 40 40 GLN N N 558 115.310 115.310 116.990 -1.680 18091 3318 1 9 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.147 0.033 18091 3319 1 9 . 1 1 40 40 GLN C C 558 176.030 176.030 176.551 -0.521 18091 3320 1 9 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.640 -1.090 18091 3321 1 9 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.809 -0.489 18091 3322 1 9 . 1 1 40 40 GLN H H 558 7.350 7.350 7.639 -0.289 18091 3323 1 9 . 1 1 41 41 ASN N N 559 114.850 114.850 115.338 -0.488 18091 3324 1 9 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.118 -0.168 18091 3325 1 9 . 1 1 41 41 ASN C C 559 172.420 172.420 173.298 -0.878 18091 3326 1 9 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.339 -0.909 18091 3327 1 9 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.174 -2.294 18091 3328 1 9 . 1 1 41 41 ASN H H 559 7.900 7.900 8.079 -0.179 18091 3329 1 9 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.648 -0.318 18091 3330 1 9 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.584 0.416 18091 3331 1 9 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.220 -0.540 18091 3332 1 9 . 1 1 43 43 ALA N N 561 119.920 119.920 120.506 -0.586 18091 3333 1 9 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.180 -0.050 18091 3334 1 9 . 1 1 43 43 ALA C C 561 179.510 179.510 178.997 0.513 18091 3335 1 9 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.321 -0.271 18091 3336 1 9 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.206 -0.156 18091 3337 1 9 . 1 1 43 43 ALA H H 561 7.850 7.850 7.851 -0.001 18091 3338 1 9 . 1 1 44 44 ALA N N 562 120.790 120.790 121.777 -0.987 18091 3339 1 9 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.108 -0.088 18091 3340 1 9 . 1 1 44 44 ALA C C 562 179.570 179.570 179.999 -0.429 18091 3341 1 9 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.367 -1.247 18091 3342 1 9 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.331 -0.131 18091 3343 1 9 . 1 1 44 44 ALA H H 562 7.980 7.980 7.761 0.219 18091 3344 1 9 . 1 1 45 45 LEU N N 563 116.420 116.420 116.629 -0.209 18091 3345 1 9 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.395 -0.415 18091 3346 1 9 . 1 1 45 45 LEU C C 563 178.220 178.220 178.763 -0.543 18091 3347 1 9 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.673 0.967 18091 3348 1 9 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.463 1.227 18091 3349 1 9 . 1 1 45 45 LEU H H 563 7.510 7.510 7.845 -0.335 18091 3350 1 9 . 1 1 46 46 GLN N N 564 115.510 115.510 119.734 -4.224 18091 3351 1 9 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.953 -0.093 18091 3352 1 9 . 1 1 46 46 GLN C C 564 178.300 178.300 178.518 -0.218 18091 3353 1 9 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.361 -0.641 18091 3354 1 9 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.515 -0.495 18091 3355 1 9 . 1 1 46 46 GLN H H 564 7.510 7.510 7.908 -0.398 18091 3356 1 9 . 1 1 47 47 GLU N N 565 117.680 117.680 118.320 -0.640 18091 3357 1 9 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.970 -0.070 18091 3358 1 9 . 1 1 47 47 GLU C C 565 179.070 179.070 179.181 -0.111 18091 3359 1 9 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.886 -0.506 18091 3360 1 9 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.040 -0.050 18091 3361 1 9 . 1 1 47 47 GLU H H 565 7.440 7.440 7.898 -0.458 18091 3362 1 9 . 1 1 48 48 HIS N N 566 118.220 118.220 119.791 -1.571 18091 3363 1 9 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.312 0.068 18091 3364 1 9 . 1 1 48 48 HIS C C 566 177.280 177.280 177.038 0.242 18091 3365 1 9 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.239 -0.378 18091 3366 1 9 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.807 1.633 18091 3367 1 9 . 1 1 48 48 HIS H H 566 7.420 7.420 7.520 -0.100 18091 3368 1 9 . 1 1 49 49 MET N N 567 115.200 115.200 117.059 -1.859 18091 3369 1 9 . 1 1 49 49 MET HA H 567 3.840 3.840 4.329 -0.489 18091 3370 1 9 . 1 1 49 49 MET C C 567 175.260 175.260 177.409 -2.149 18091 3371 1 9 . 1 1 49 49 MET CA C 567 57.840 57.840 58.410 -0.570 18091 3372 1 9 . 1 1 49 49 MET CB C 567 33.080 33.080 32.852 0.228 18091 3373 1 9 . 1 1 49 49 MET H H 567 7.710 7.710 7.802 -0.092 18091 3374 1 9 . 1 1 50 50 LYS N N 568 116.040 116.040 116.161 -0.121 18091 3375 1 9 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.043 -0.083 18091 3376 1 9 . 1 1 50 50 LYS C C 568 176.220 176.220 177.299 -1.079 18091 3377 1 9 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.538 -0.148 18091 3378 1 9 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.374 -0.154 18091 3379 1 9 . 1 1 50 50 LYS H H 568 7.140 7.140 7.464 -0.324 18091 3380 1 9 . 1 1 51 51 ASN N N 569 119.600 119.600 118.588 1.012 18091 3381 1 9 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.817 0.203 18091 3382 1 9 . 1 1 51 51 ASN C C 569 173.920 173.920 175.159 -1.239 18091 3383 1 9 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.186 -2.236 18091 3384 1 9 . 1 1 51 51 ASN CB C 569 39.000 39.000 40.149 -1.149 18091 3385 1 9 . 1 1 51 51 ASN H H 569 7.480 7.480 7.485 -0.005 18091 3386 1 9 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.382 -0.122 18091 3387 1 9 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.686 -0.576 18091 3388 1 9 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.208 0.062 18091 3389 1 9 . 1 1 53 53 GLU N N 571 116.870 116.870 118.583 -1.713 18091 3390 1 9 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.152 -0.082 18091 3391 1 9 . 1 1 53 53 GLU C C 571 178.830 178.830 179.025 -0.195 18091 3392 1 9 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.338 -0.458 18091 3393 1 9 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.585 -0.155 18091 3394 1 9 . 1 1 53 53 GLU H H 571 7.960 7.960 8.371 -0.411 18091 3395 1 9 . 1 1 54 54 VAL N N 572 118.290 118.290 119.245 -0.955 18091 3396 1 9 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.799 -0.139 18091 3397 1 9 . 1 1 54 54 VAL C C 572 177.620 177.620 177.847 -0.227 18091 3398 1 9 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.093 -0.993 18091 3399 1 9 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.472 0.738 18091 3400 1 9 . 1 1 54 54 VAL H H 572 7.330 7.330 7.742 -0.412 18091 3401 1 9 . 1 1 55 55 PHE N N 573 121.090 121.090 122.110 -1.020 18091 3402 1 9 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.013 -0.123 18091 3403 1 9 . 1 1 55 55 PHE C C 573 176.760 176.760 176.959 -0.199 18091 3404 1 9 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.062 0.168 18091 3405 1 9 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.774 -0.154 18091 3406 1 9 . 1 1 55 55 PHE H H 573 8.700 8.700 8.501 0.199 18091 3407 1 9 . 1 1 56 56 LYS N N 574 116.910 116.910 119.696 -2.786 18091 3408 1 9 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.778 0.012 18091 3409 1 9 . 1 1 56 56 LYS C C 574 178.980 178.980 178.675 0.305 18091 3410 1 9 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.950 -0.470 18091 3411 1 9 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.379 -0.179 18091 3412 1 9 . 1 1 56 56 LYS H H 574 7.800 7.800 7.809 -0.009 18091 3413 1 9 . 1 1 57 57 LYS N N 575 119.120 119.120 118.962 0.158 18091 3414 1 9 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.988 -0.078 18091 3415 1 9 . 1 1 57 57 LYS C C 575 178.520 178.520 179.092 -0.572 18091 3416 1 9 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.473 0.477 18091 3417 1 9 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.252 0.808 18091 3418 1 9 . 1 1 57 57 LYS H H 575 7.170 7.170 7.292 -0.122 18091 3419 1 9 . 1 1 58 58 ILE N N 576 119.180 119.180 119.143 0.037 18091 3420 1 9 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.691 -0.371 18091 3421 1 9 . 1 1 58 58 ILE C C 576 177.820 177.820 178.184 -0.364 18091 3422 1 9 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.831 0.699 18091 3423 1 9 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.799 -0.549 18091 3424 1 9 . 1 1 58 58 ILE H H 576 8.300 8.300 8.467 -0.167 18091 3425 1 9 . 1 1 59 59 GLN N N 577 118.000 118.000 118.628 -0.628 18091 3426 1 9 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.733 -0.063 18091 3427 1 9 . 1 1 59 59 GLN C C 577 179.250 179.250 178.492 0.758 18091 3428 1 9 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.289 -0.169 18091 3429 1 9 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.254 -0.414 18091 3430 1 9 . 1 1 59 59 GLN H H 577 8.180 8.180 7.790 0.390 18091 3431 1 9 . 1 1 60 60 THR N N 578 118.670 118.670 116.615 2.055 18091 3432 1 9 . 1 1 60 60 THR HA H 578 3.760 3.760 3.971 -0.211 18091 3433 1 9 . 1 1 60 60 THR C C 578 176.060 176.060 176.561 -0.501 18091 3434 1 9 . 1 1 60 60 THR CA C 578 66.890 66.890 66.513 0.377 18091 3435 1 9 . 1 1 60 60 THR CB C 578 68.030 68.030 68.265 -0.235 18091 3436 1 9 . 1 1 60 60 THR H H 578 7.780 7.780 7.572 0.208 18091 3437 1 9 . 1 1 61 61 LEU N N 579 120.680 120.680 120.645 0.035 18091 3438 1 9 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.923 -0.073 18091 3439 1 9 . 1 1 61 61 LEU C C 579 179.590 179.590 178.809 0.781 18091 3440 1 9 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.663 -0.013 18091 3441 1 9 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.104 -0.124 18091 3442 1 9 . 1 1 61 61 LEU H H 579 7.620 7.620 7.289 0.331 18091 3443 1 9 . 1 1 62 62 ILE N N 580 122.880 122.880 120.407 2.473 18091 3444 1 9 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.890 0.140 18091 3445 1 9 . 1 1 62 62 ILE C C 580 180.260 180.260 179.137 1.123 18091 3446 1 9 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.839 -0.109 18091 3447 1 9 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.668 0.642 18091 3448 1 9 . 1 1 62 62 ILE H H 580 8.540 8.540 7.603 0.937 18091 3449 1 9 . 1 1 63 63 ALA N N 581 124.510 124.510 122.776 1.734 18091 3450 1 9 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.001 -0.031 18091 3451 1 9 . 1 1 63 63 ALA C C 581 179.000 179.000 178.669 0.331 18091 3452 1 9 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.823 0.017 18091 3453 1 9 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.099 -0.599 18091 3454 1 9 . 1 1 63 63 ALA H H 581 8.120 8.120 8.036 0.084 18091 3455 1 9 . 1 1 64 64 ALA N N 582 116.250 116.250 117.701 -1.451 18091 3456 1 9 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.087 0.053 18091 3457 1 9 . 1 1 64 64 ALA C C 582 177.040 177.040 177.447 -0.407 18091 3458 1 9 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.015 0.165 18091 3459 1 9 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.280 0.580 18091 3460 1 9 . 1 1 64 64 ALA H H 582 7.470 7.470 7.332 0.138 18091 3461 1 9 . 1 1 65 65 GLY N N 583 104.540 104.540 105.923 -1.383 18091 3462 1 9 . 1 1 65 65 GLY C C 583 174.180 174.180 174.936 -0.756 18091 3463 1 9 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.052 -1.262 18091 3464 1 9 . 1 1 65 65 GLY H H 583 7.600 7.600 7.775 -0.175 18091 3465 1 9 . 1 1 66 66 ILE N N 584 118.630 118.630 117.267 1.363 18091 3466 1 9 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.637 0.123 18091 3467 1 9 . 1 1 66 66 ILE C C 584 175.660 175.660 175.379 0.281 18091 3468 1 9 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.338 -0.788 18091 3469 1 9 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.325 -0.715 18091 3470 1 9 . 1 1 66 66 ILE H H 584 7.590 7.590 7.654 -0.064 18091 3471 1 9 . 1 1 67 67 ILE N N 585 116.360 116.360 118.785 -2.425 18091 3472 1 9 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.313 -0.143 18091 3473 1 9 . 1 1 67 67 ILE C C 585 174.370 174.370 174.517 -0.147 18091 3474 1 9 . 1 1 67 67 ILE CA C 585 59.480 59.480 59.955 -0.475 18091 3475 1 9 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.015 -1.385 18091 3476 1 9 . 1 1 67 67 ILE H H 585 6.490 6.490 7.217 -0.727 18091 3477 1 9 . 1 1 68 68 ARG N N 586 125.450 125.450 125.924 -0.474 18091 3478 1 9 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.593 -0.213 18091 3479 1 9 . 1 1 68 68 ARG C C 586 175.720 175.720 175.687 0.033 18091 3480 1 9 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.023 -1.103 18091 3481 1 9 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.177 0.143 18091 3482 1 9 . 1 1 68 68 ARG H H 586 8.500 8.500 8.596 -0.096 18091 3483 1 9 . 1 1 69 69 THR N N 587 113.710 113.710 113.003 0.707 18091 3484 1 9 . 1 1 69 69 THR HA H 587 4.300 4.300 4.658 -0.358 18091 3485 1 9 . 1 1 69 69 THR C C 587 174.760 174.760 174.521 0.239 18091 3486 1 9 . 1 1 69 69 THR CA C 587 61.300 61.300 61.150 0.150 18091 3487 1 9 . 1 1 69 69 THR CB C 587 69.720 69.720 70.342 -0.622 18091 3488 1 9 . 1 1 69 69 THR H H 587 8.250 8.250 8.282 -0.032 18091 3489 1 9 . 1 1 70 70 GLY N N 588 110.720 110.720 109.342 1.378 18091 3490 1 9 . 1 1 70 70 GLY C C 588 172.820 172.820 174.217 -1.397 18091 3491 1 9 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.907 0.253 18091 3492 1 9 . 1 1 70 70 GLY H H 588 8.230 8.230 8.365 -0.135 18091 3493 1 10 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.639 -0.409 18091 3494 1 10 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.775 0.475 18091 3495 1 10 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.027 -1.067 18091 3496 1 10 . 1 1 3 3 GLY N N 521 109.400 109.400 109.135 0.265 18091 3497 1 10 . 1 1 3 3 GLY C C 521 174.300 174.300 174.509 -0.209 18091 3498 1 10 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.025 0.155 18091 3499 1 10 . 1 1 3 3 GLY H H 521 8.490 8.490 8.268 0.222 18091 3500 1 10 . 1 1 4 4 THR N N 522 112.480 112.480 113.228 -0.748 18091 3501 1 10 . 1 1 4 4 THR HA H 522 4.300 4.300 4.364 -0.064 18091 3502 1 10 . 1 1 4 4 THR C C 522 174.690 174.690 175.688 -0.998 18091 3503 1 10 . 1 1 4 4 THR CA C 522 61.240 61.240 63.665 -2.425 18091 3504 1 10 . 1 1 4 4 THR CB C 522 69.960 69.960 69.262 0.698 18091 3505 1 10 . 1 1 4 4 THR H H 522 7.860 7.860 7.907 -0.047 18091 3506 1 10 . 1 1 5 5 SER N N 523 117.450 117.450 116.585 0.865 18091 3507 1 10 . 1 1 5 5 SER HA H 523 3.890 3.890 4.332 -0.442 18091 3508 1 10 . 1 1 5 5 SER C C 523 173.320 173.320 174.304 -0.984 18091 3509 1 10 . 1 1 5 5 SER CA C 523 58.460 58.460 60.123 -1.663 18091 3510 1 10 . 1 1 5 5 SER CB C 523 63.690 63.690 63.068 0.622 18091 3511 1 10 . 1 1 5 5 SER H H 523 8.300 8.300 8.116 0.184 18091 3512 1 10 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.828 -0.478 18091 3513 1 10 . 1 1 6 6 ASN C C 524 174.670 174.670 173.662 1.008 18091 3514 1 10 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.657 0.403 18091 3515 1 10 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.910 -1.200 18091 3516 1 10 . 1 1 7 7 GLU N N 525 120.970 120.970 122.032 -1.062 18091 3517 1 10 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.374 -0.034 18091 3518 1 10 . 1 1 7 7 GLU C C 525 176.900 176.900 177.077 -0.177 18091 3519 1 10 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.407 -0.367 18091 3520 1 10 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.513 0.557 18091 3521 1 10 . 1 1 7 7 GLU H H 525 7.970 7.970 8.600 -0.630 18091 3522 1 10 . 1 1 8 8 THR N N 526 116.960 116.960 116.027 0.933 18091 3523 1 10 . 1 1 8 8 THR HA H 526 4.540 4.540 4.691 -0.151 18091 3524 1 10 . 1 1 8 8 THR C C 526 173.410 173.410 174.079 -0.669 18091 3525 1 10 . 1 1 8 8 THR CA C 526 60.080 60.080 58.918 1.162 18091 3526 1 10 . 1 1 8 8 THR CB C 526 68.500 68.500 68.576 -0.076 18091 3527 1 10 . 1 1 8 8 THR H H 526 8.630 8.630 8.367 0.263 18091 3528 1 10 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.309 -0.119 18091 3529 1 10 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.713 0.397 18091 3530 1 10 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.797 -0.217 18091 3531 1 10 . 1 1 10 10 GLU N N 528 118.610 118.610 117.184 1.426 18091 3532 1 10 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.848 0.132 18091 3533 1 10 . 1 1 10 10 GLU C C 528 178.550 178.550 178.137 0.413 18091 3534 1 10 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.427 0.153 18091 3535 1 10 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.204 -0.214 18091 3536 1 10 . 1 1 10 10 GLU H H 528 8.550 8.550 8.708 -0.158 18091 3537 1 10 . 1 1 11 11 GLU N N 529 121.090 121.090 119.132 1.958 18091 3538 1 10 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.098 -0.168 18091 3539 1 10 . 1 1 11 11 GLU C C 529 179.470 179.470 178.800 0.670 18091 3540 1 10 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.323 -0.373 18091 3541 1 10 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.607 -0.127 18091 3542 1 10 . 1 1 11 11 GLU H H 529 7.870 7.870 7.588 0.282 18091 3543 1 10 . 1 1 12 12 THR N N 530 118.050 118.050 117.172 0.878 18091 3544 1 10 . 1 1 12 12 THR HA H 530 3.750 3.750 4.020 -0.270 18091 3545 1 10 . 1 1 12 12 THR C C 530 175.770 175.770 176.660 -0.890 18091 3546 1 10 . 1 1 12 12 THR CA C 530 66.320 66.320 67.225 -0.906 18091 3547 1 10 . 1 1 12 12 THR CB C 530 68.430 68.430 68.947 -0.517 18091 3548 1 10 . 1 1 12 12 THR H H 530 8.390 8.390 7.532 0.858 18091 3549 1 10 . 1 1 13 13 TYR N N 531 122.280 122.280 120.633 1.647 18091 3550 1 10 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.058 -0.238 18091 3551 1 10 . 1 1 13 13 TYR C C 531 176.420 176.420 178.242 -1.822 18091 3552 1 10 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.705 -0.265 18091 3553 1 10 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.601 0.509 18091 3554 1 10 . 1 1 13 13 TYR H H 531 8.050 8.050 8.133 -0.083 18091 3555 1 10 . 1 1 14 14 GLN N N 532 116.250 116.250 117.684 -1.434 18091 3556 1 10 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.958 -0.268 18091 3557 1 10 . 1 1 14 14 GLN C C 532 178.800 178.800 178.555 0.245 18091 3558 1 10 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.800 -0.180 18091 3559 1 10 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.225 -0.165 18091 3560 1 10 . 1 1 14 14 GLN H H 532 8.010 8.010 7.856 0.154 18091 3561 1 10 . 1 1 15 15 ARG N N 533 118.730 118.730 119.843 -1.113 18091 3562 1 10 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.023 -0.103 18091 3563 1 10 . 1 1 15 15 ARG C C 533 179.030 179.030 178.904 0.126 18091 3564 1 10 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.102 0.038 18091 3565 1 10 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.227 -0.427 18091 3566 1 10 . 1 1 15 15 ARG H H 533 7.800 7.800 7.876 -0.076 18091 3567 1 10 . 1 1 16 16 ALA N N 534 123.500 123.500 121.521 1.979 18091 3568 1 10 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.019 -0.059 18091 3569 1 10 . 1 1 16 16 ALA C C 534 178.860 178.860 179.471 -0.611 18091 3570 1 10 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.725 -0.055 18091 3571 1 10 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.387 0.343 18091 3572 1 10 . 1 1 16 16 ALA H H 534 8.210 8.210 7.985 0.225 18091 3573 1 10 . 1 1 17 17 MET N N 535 111.910 111.910 116.306 -4.396 18091 3574 1 10 . 1 1 17 17 MET HA H 535 4.020 4.020 4.192 -0.172 18091 3575 1 10 . 1 1 17 17 MET C C 535 176.890 176.890 177.420 -0.530 18091 3576 1 10 . 1 1 17 17 MET CA C 535 55.200 55.200 57.591 -2.391 18091 3577 1 10 . 1 1 17 17 MET CB C 535 31.110 31.110 32.565 -1.455 18091 3578 1 10 . 1 1 17 17 MET H H 535 7.480 7.480 7.928 -0.448 18091 3579 1 10 . 1 1 18 18 LYS N N 536 116.840 116.840 117.344 -0.504 18091 3580 1 10 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.186 -0.196 18091 3581 1 10 . 1 1 18 18 LYS C C 536 176.690 176.690 176.339 0.351 18091 3582 1 10 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.948 -0.358 18091 3583 1 10 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.482 -0.142 18091 3584 1 10 . 1 1 18 18 LYS H H 536 7.180 7.180 7.328 -0.148 18091 3585 1 10 . 1 1 19 19 ASP N N 537 122.680 122.680 120.990 1.690 18091 3586 1 10 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.899 -0.099 18091 3587 1 10 . 1 1 19 19 ASP C C 537 174.720 174.720 175.246 -0.526 18091 3588 1 10 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.066 0.024 18091 3589 1 10 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.436 0.534 18091 3590 1 10 . 1 1 19 19 ASP H H 537 7.530 7.530 7.592 -0.062 18091 3591 1 10 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.259 -0.119 18091 3592 1 10 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.909 -0.159 18091 3593 1 10 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.105 0.015 18091 3594 1 10 . 1 1 21 21 GLU N N 539 118.590 118.590 117.709 0.881 18091 3595 1 10 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.067 -0.057 18091 3596 1 10 . 1 1 21 21 GLU C C 539 179.010 179.010 178.843 0.167 18091 3597 1 10 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.001 -0.151 18091 3598 1 10 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.268 0.072 18091 3599 1 10 . 1 1 21 21 GLU H H 539 8.200 8.200 7.968 0.232 18091 3600 1 10 . 1 1 22 22 VAL N N 540 120.690 120.690 120.476 0.214 18091 3601 1 10 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.508 -0.278 18091 3602 1 10 . 1 1 22 22 VAL C C 540 177.740 177.740 177.585 0.155 18091 3603 1 10 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.273 -0.183 18091 3604 1 10 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.535 -0.185 18091 3605 1 10 . 1 1 22 22 VAL H H 540 7.350 7.350 7.520 -0.170 18091 3606 1 10 . 1 1 23 23 ALA N N 541 121.460 121.460 121.861 -0.401 18091 3607 1 10 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.898 -0.128 18091 3608 1 10 . 1 1 23 23 ALA C C 541 179.660 179.660 178.998 0.662 18091 3609 1 10 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.145 0.245 18091 3610 1 10 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.011 -0.301 18091 3611 1 10 . 1 1 23 23 ALA H H 541 8.430 8.430 7.490 0.940 18091 3612 1 10 . 1 1 24 24 ALA N N 542 117.000 117.000 121.018 -4.018 18091 3613 1 10 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.015 -0.075 18091 3614 1 10 . 1 1 24 24 ALA C C 542 180.880 180.880 179.163 1.717 18091 3615 1 10 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.824 -0.124 18091 3616 1 10 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.391 -0.441 18091 3617 1 10 . 1 1 24 24 ALA H H 542 7.380 7.380 7.597 -0.217 18091 3618 1 10 . 1 1 25 25 ILE N N 543 119.750 119.750 117.275 2.475 18091 3619 1 10 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.698 -0.008 18091 3620 1 10 . 1 1 25 25 ILE C C 543 177.450 177.450 178.811 -1.361 18091 3621 1 10 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.666 0.294 18091 3622 1 10 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.082 0.198 18091 3623 1 10 . 1 1 25 25 ILE H H 543 7.380 7.380 7.426 -0.046 18091 3624 1 10 . 1 1 26 26 MET N N 544 113.830 113.830 117.794 -3.964 18091 3625 1 10 . 1 1 26 26 MET HA H 544 4.140 4.140 4.090 0.050 18091 3626 1 10 . 1 1 26 26 MET C C 544 177.680 177.680 177.846 -0.166 18091 3627 1 10 . 1 1 26 26 MET CA C 544 55.660 55.660 58.637 -2.977 18091 3628 1 10 . 1 1 26 26 MET CB C 544 30.690 30.690 32.581 -1.891 18091 3629 1 10 . 1 1 26 26 MET H H 544 7.870 7.870 7.698 0.172 18091 3630 1 10 . 1 1 27 27 GLN N N 545 115.210 115.210 115.078 0.132 18091 3631 1 10 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.375 -0.295 18091 3632 1 10 . 1 1 27 27 GLN C C 545 175.170 175.170 175.644 -0.474 18091 3633 1 10 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.971 -0.531 18091 3634 1 10 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.212 -0.223 18091 3635 1 10 . 1 1 27 27 GLN H H 545 7.340 7.340 7.465 -0.125 18091 3636 1 10 . 1 1 28 28 ASP N N 546 123.270 123.270 119.656 3.614 18091 3637 1 10 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.022 -0.302 18091 3638 1 10 . 1 1 28 28 ASP C C 546 175.220 175.220 175.203 0.017 18091 3639 1 10 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.776 0.564 18091 3640 1 10 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.124 -0.744 18091 3641 1 10 . 1 1 28 28 ASP H H 546 7.320 7.320 7.716 -0.396 18091 3642 1 10 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.368 -0.248 18091 3643 1 10 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.979 0.941 18091 3644 1 10 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.654 -0.395 18091 3645 1 10 . 1 1 30 30 VAL N N 548 119.870 119.870 119.401 0.469 18091 3646 1 10 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.661 -0.081 18091 3647 1 10 . 1 1 30 30 VAL C C 548 179.010 179.010 178.002 1.008 18091 3648 1 10 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.252 -0.252 18091 3649 1 10 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.677 -0.567 18091 3650 1 10 . 1 1 30 30 VAL H H 548 8.000 8.000 7.814 0.186 18091 3651 1 10 . 1 1 31 31 MET N N 549 118.270 118.270 116.782 1.488 18091 3652 1 10 . 1 1 31 31 MET HA H 549 4.340 4.340 3.962 0.378 18091 3653 1 10 . 1 1 31 31 MET C C 549 178.830 178.830 178.133 0.697 18091 3654 1 10 . 1 1 31 31 MET CA C 549 55.140 55.140 58.668 -3.528 18091 3655 1 10 . 1 1 31 31 MET CB C 549 28.840 28.840 32.221 -3.381 18091 3656 1 10 . 1 1 31 31 MET H H 549 7.250 7.250 7.880 -0.630 18091 3657 1 10 . 1 1 32 32 GLN N N 550 118.190 118.190 119.393 -1.203 18091 3658 1 10 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.948 -0.208 18091 3659 1 10 . 1 1 32 32 GLN C C 550 178.840 178.840 177.983 0.857 18091 3660 1 10 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.142 0.278 18091 3661 1 10 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.250 -0.590 18091 3662 1 10 . 1 1 32 32 GLN H H 550 8.310 8.310 8.358 -0.048 18091 3663 1 10 . 1 1 33 33 SER N N 551 114.010 114.010 115.537 -1.527 18091 3664 1 10 . 1 1 33 33 SER HA H 551 4.140 4.140 4.242 -0.102 18091 3665 1 10 . 1 1 33 33 SER C C 551 176.840 176.840 176.622 0.218 18091 3666 1 10 . 1 1 33 33 SER CA C 551 61.330 61.330 61.478 -0.148 18091 3667 1 10 . 1 1 33 33 SER CB C 551 62.450 62.450 63.035 -0.585 18091 3668 1 10 . 1 1 33 33 SER H H 551 7.570 7.570 7.658 -0.088 18091 3669 1 10 . 1 1 34 34 ILE N N 552 123.490 123.490 122.838 0.652 18091 3670 1 10 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.474 -0.194 18091 3671 1 10 . 1 1 34 34 ILE C C 552 177.630 177.630 177.803 -0.173 18091 3672 1 10 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.852 0.828 18091 3673 1 10 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.311 0.409 18091 3674 1 10 . 1 1 34 34 ILE H H 552 7.600 7.600 7.432 0.168 18091 3675 1 10 . 1 1 35 35 LEU N N 553 119.520 119.520 119.380 0.140 18091 3676 1 10 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.793 -0.043 18091 3677 1 10 . 1 1 35 35 LEU C C 553 179.440 179.440 179.016 0.424 18091 3678 1 10 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.031 -0.081 18091 3679 1 10 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.217 -0.517 18091 3680 1 10 . 1 1 35 35 LEU H H 553 8.330 8.330 7.737 0.593 18091 3681 1 10 . 1 1 36 36 GLN N N 554 118.590 118.590 119.120 -0.530 18091 3682 1 10 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.041 -0.121 18091 3683 1 10 . 1 1 36 36 GLN C C 554 178.560 178.560 178.731 -0.171 18091 3684 1 10 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.932 -0.272 18091 3685 1 10 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.648 -0.588 18091 3686 1 10 . 1 1 36 36 GLN H H 554 7.800 7.800 7.784 0.016 18091 3687 1 10 . 1 1 37 37 GLN N N 555 119.520 119.520 118.689 0.831 18091 3688 1 10 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.003 -0.073 18091 3689 1 10 . 1 1 37 37 GLN C C 555 178.400 178.400 178.496 -0.096 18091 3690 1 10 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.579 -0.049 18091 3691 1 10 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.611 0.179 18091 3692 1 10 . 1 1 37 37 GLN H H 555 7.990 7.990 8.023 -0.033 18091 3693 1 10 . 1 1 38 38 ALA N N 556 120.730 120.730 121.359 -0.629 18091 3694 1 10 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.356 -0.246 18091 3695 1 10 . 1 1 38 38 ALA C C 556 178.310 178.310 179.705 -1.395 18091 3696 1 10 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.790 -1.290 18091 3697 1 10 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.357 0.013 18091 3698 1 10 . 1 1 38 38 ALA H H 556 8.310 8.310 8.054 0.256 18091 3699 1 10 . 1 1 39 39 GLN N N 557 115.600 115.600 117.464 -1.864 18091 3700 1 10 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.006 -0.046 18091 3701 1 10 . 1 1 39 39 GLN C C 557 177.260 177.260 178.664 -1.404 18091 3702 1 10 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.286 -0.366 18091 3703 1 10 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.618 -0.138 18091 3704 1 10 . 1 1 39 39 GLN H H 557 7.530 7.530 7.731 -0.201 18091 3705 1 10 . 1 1 40 40 GLN N N 558 115.310 115.310 117.003 -1.693 18091 3706 1 10 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.140 0.040 18091 3707 1 10 . 1 1 40 40 GLN C C 558 176.030 176.030 176.425 -0.395 18091 3708 1 10 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.677 -1.127 18091 3709 1 10 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.869 -0.549 18091 3710 1 10 . 1 1 40 40 GLN H H 558 7.350 7.350 7.572 -0.222 18091 3711 1 10 . 1 1 41 41 ASN N N 559 114.850 114.850 114.865 -0.015 18091 3712 1 10 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.058 -0.108 18091 3713 1 10 . 1 1 41 41 ASN C C 559 172.420 172.420 173.204 -0.784 18091 3714 1 10 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.616 -1.186 18091 3715 1 10 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.269 -2.389 18091 3716 1 10 . 1 1 41 41 ASN H H 559 7.900 7.900 8.063 -0.163 18091 3717 1 10 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.605 -0.275 18091 3718 1 10 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.722 0.278 18091 3719 1 10 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.271 -0.591 18091 3720 1 10 . 1 1 43 43 ALA N N 561 119.920 119.920 120.151 -0.231 18091 3721 1 10 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.169 -0.039 18091 3722 1 10 . 1 1 43 43 ALA C C 561 179.510 179.510 179.022 0.488 18091 3723 1 10 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.310 -0.260 18091 3724 1 10 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.185 -0.135 18091 3725 1 10 . 1 1 43 43 ALA H H 561 7.850 7.850 7.631 0.219 18091 3726 1 10 . 1 1 44 44 ALA N N 562 120.790 120.790 121.767 -0.977 18091 3727 1 10 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.181 -0.161 18091 3728 1 10 . 1 1 44 44 ALA C C 562 179.570 179.570 179.779 -0.209 18091 3729 1 10 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.975 -0.855 18091 3730 1 10 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.591 -0.391 18091 3731 1 10 . 1 1 44 44 ALA H H 562 7.980 7.980 7.657 0.323 18091 3732 1 10 . 1 1 45 45 LEU N N 563 116.420 116.420 116.889 -0.469 18091 3733 1 10 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.401 -0.421 18091 3734 1 10 . 1 1 45 45 LEU C C 563 178.220 178.220 178.812 -0.592 18091 3735 1 10 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.649 0.991 18091 3736 1 10 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.446 1.244 18091 3737 1 10 . 1 1 45 45 LEU H H 563 7.510 7.510 7.855 -0.345 18091 3738 1 10 . 1 1 46 46 GLN N N 564 115.510 115.510 119.803 -4.293 18091 3739 1 10 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.940 -0.080 18091 3740 1 10 . 1 1 46 46 GLN C C 564 178.300 178.300 178.478 -0.178 18091 3741 1 10 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.412 -0.692 18091 3742 1 10 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.489 -0.469 18091 3743 1 10 . 1 1 46 46 GLN H H 564 7.510 7.510 7.950 -0.440 18091 3744 1 10 . 1 1 47 47 GLU N N 565 117.680 117.680 118.125 -0.445 18091 3745 1 10 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.959 -0.059 18091 3746 1 10 . 1 1 47 47 GLU C C 565 179.070 179.070 179.218 -0.148 18091 3747 1 10 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.867 -0.487 18091 3748 1 10 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.044 -0.054 18091 3749 1 10 . 1 1 47 47 GLU H H 565 7.440 7.440 7.821 -0.381 18091 3750 1 10 . 1 1 48 48 HIS N N 566 118.220 118.220 119.473 -1.253 18091 3751 1 10 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.375 0.005 18091 3752 1 10 . 1 1 48 48 HIS C C 566 177.280 177.280 177.752 -0.472 18091 3753 1 10 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.137 -0.277 18091 3754 1 10 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.794 1.646 18091 3755 1 10 . 1 1 48 48 HIS H H 566 7.420 7.420 7.488 -0.068 18091 3756 1 10 . 1 1 49 49 MET N N 567 115.200 115.200 118.293 -3.093 18091 3757 1 10 . 1 1 49 49 MET HA H 567 3.840 3.840 4.360 -0.520 18091 3758 1 10 . 1 1 49 49 MET C C 567 175.260 175.260 177.409 -2.149 18091 3759 1 10 . 1 1 49 49 MET CA C 567 57.840 57.840 58.718 -0.878 18091 3760 1 10 . 1 1 49 49 MET CB C 567 33.080 33.080 32.837 0.243 18091 3761 1 10 . 1 1 49 49 MET H H 567 7.710 7.710 7.954 -0.244 18091 3762 1 10 . 1 1 50 50 LYS N N 568 116.040 116.040 116.113 -0.073 18091 3763 1 10 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.091 -0.131 18091 3764 1 10 . 1 1 50 50 LYS C C 568 176.220 176.220 176.830 -0.610 18091 3765 1 10 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.380 0.009 18091 3766 1 10 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.420 -0.200 18091 3767 1 10 . 1 1 50 50 LYS H H 568 7.140 7.140 7.569 -0.428 18091 3768 1 10 . 1 1 51 51 ASN N N 569 119.600 119.600 118.176 1.424 18091 3769 1 10 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.842 0.178 18091 3770 1 10 . 1 1 51 51 ASN C C 569 173.920 173.920 175.291 -1.371 18091 3771 1 10 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.593 -1.643 18091 3772 1 10 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.920 -0.920 18091 3773 1 10 . 1 1 51 51 ASN H H 569 7.480 7.480 7.425 0.055 18091 3774 1 10 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.342 -0.082 18091 3775 1 10 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.732 -0.622 18091 3776 1 10 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.050 0.220 18091 3777 1 10 . 1 1 53 53 GLU N N 571 116.870 116.870 118.532 -1.662 18091 3778 1 10 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091 3779 1 10 . 1 1 53 53 GLU C C 571 178.830 178.830 178.709 0.121 18091 3780 1 10 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.557 -0.677 18091 3781 1 10 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.477 -0.047 18091 3782 1 10 . 1 1 53 53 GLU H H 571 7.960 7.960 8.521 -0.561 18091 3783 1 10 . 1 1 54 54 VAL N N 572 118.290 118.290 119.057 -0.767 18091 3784 1 10 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.828 -0.168 18091 3785 1 10 . 1 1 54 54 VAL C C 572 177.620 177.620 177.792 -0.172 18091 3786 1 10 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.115 -0.015 18091 3787 1 10 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.455 0.755 18091 3788 1 10 . 1 1 54 54 VAL H H 572 7.330 7.330 7.809 -0.479 18091 3789 1 10 . 1 1 55 55 PHE N N 573 121.090 121.090 122.234 -1.144 18091 3790 1 10 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.011 -0.121 18091 3791 1 10 . 1 1 55 55 PHE C C 573 176.760 176.760 176.999 -0.239 18091 3792 1 10 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.328 -0.097 18091 3793 1 10 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.901 -0.281 18091 3794 1 10 . 1 1 55 55 PHE H H 573 8.700 8.700 8.585 0.115 18091 3795 1 10 . 1 1 56 56 LYS N N 574 116.910 116.910 119.282 -2.372 18091 3796 1 10 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.843 -0.053 18091 3797 1 10 . 1 1 56 56 LYS C C 574 178.980 178.980 178.841 0.139 18091 3798 1 10 . 1 1 56 56 LYS CA C 574 59.480 59.480 58.953 0.527 18091 3799 1 10 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.221 -0.021 18091 3800 1 10 . 1 1 56 56 LYS H H 574 7.800 7.800 7.819 -0.019 18091 3801 1 10 . 1 1 57 57 LYS N N 575 119.120 119.120 119.496 -0.376 18091 3802 1 10 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.981 -0.071 18091 3803 1 10 . 1 1 57 57 LYS C C 575 178.520 178.520 179.036 -0.516 18091 3804 1 10 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.577 0.373 18091 3805 1 10 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.415 0.645 18091 3806 1 10 . 1 1 57 57 LYS H H 575 7.170 7.170 7.279 -0.109 18091 3807 1 10 . 1 1 58 58 ILE N N 576 119.180 119.180 119.331 -0.151 18091 3808 1 10 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.736 -0.416 18091 3809 1 10 . 1 1 58 58 ILE C C 576 177.820 177.820 178.490 -0.670 18091 3810 1 10 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.212 0.318 18091 3811 1 10 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.055 -0.805 18091 3812 1 10 . 1 1 58 58 ILE H H 576 8.300 8.300 8.459 -0.159 18091 3813 1 10 . 1 1 59 59 GLN N N 577 118.000 118.000 118.309 -0.309 18091 3814 1 10 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.761 -0.091 18091 3815 1 10 . 1 1 59 59 GLN C C 577 179.250 179.250 178.529 0.721 18091 3816 1 10 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.208 -0.088 18091 3817 1 10 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.232 -0.392 18091 3818 1 10 . 1 1 59 59 GLN H H 577 8.180 8.180 7.762 0.418 18091 3819 1 10 . 1 1 60 60 THR N N 578 118.670 118.670 117.042 1.628 18091 3820 1 10 . 1 1 60 60 THR HA H 578 3.760 3.760 3.949 -0.189 18091 3821 1 10 . 1 1 60 60 THR C C 578 176.060 176.060 176.433 -0.373 18091 3822 1 10 . 1 1 60 60 THR CA C 578 66.890 66.890 66.739 0.151 18091 3823 1 10 . 1 1 60 60 THR CB C 578 68.030 68.030 68.285 -0.255 18091 3824 1 10 . 1 1 60 60 THR H H 578 7.780 7.780 7.555 0.225 18091 3825 1 10 . 1 1 61 61 LEU N N 579 120.680 120.680 120.504 0.176 18091 3826 1 10 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.009 -0.159 18091 3827 1 10 . 1 1 61 61 LEU C C 579 179.590 179.590 178.587 1.003 18091 3828 1 10 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.525 0.125 18091 3829 1 10 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.375 -0.395 18091 3830 1 10 . 1 1 61 61 LEU H H 579 7.620 7.620 7.332 0.288 18091 3831 1 10 . 1 1 62 62 ILE N N 580 122.880 122.880 120.852 2.028 18091 3832 1 10 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.725 0.305 18091 3833 1 10 . 1 1 62 62 ILE C C 580 180.260 180.260 179.150 1.110 18091 3834 1 10 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.981 -0.250 18091 3835 1 10 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.702 0.608 18091 3836 1 10 . 1 1 62 62 ILE H H 580 8.540 8.540 7.596 0.944 18091 3837 1 10 . 1 1 63 63 ALA N N 581 124.510 124.510 122.892 1.618 18091 3838 1 10 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091 3839 1 10 . 1 1 63 63 ALA C C 581 179.000 179.000 178.772 0.228 18091 3840 1 10 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.756 0.084 18091 3841 1 10 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.320 -0.820 18091 3842 1 10 . 1 1 63 63 ALA H H 581 8.120 8.120 8.053 0.067 18091 3843 1 10 . 1 1 64 64 ALA N N 582 116.250 116.250 118.470 -2.220 18091 3844 1 10 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.226 -0.086 18091 3845 1 10 . 1 1 64 64 ALA C C 582 177.040 177.040 177.701 -0.661 18091 3846 1 10 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.880 0.300 18091 3847 1 10 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.931 0.929 18091 3848 1 10 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091 3849 1 10 . 1 1 65 65 GLY N N 583 104.540 104.540 106.215 -1.675 18091 3850 1 10 . 1 1 65 65 GLY C C 583 174.180 174.180 175.086 -0.906 18091 3851 1 10 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.832 -1.042 18091 3852 1 10 . 1 1 65 65 GLY H H 583 7.600 7.600 7.584 0.016 18091 3853 1 10 . 1 1 66 66 ILE N N 584 118.630 118.630 117.323 1.307 18091 3854 1 10 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.902 -0.142 18091 3855 1 10 . 1 1 66 66 ILE C C 584 175.660 175.660 174.992 0.668 18091 3856 1 10 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.400 -0.850 18091 3857 1 10 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.505 -0.895 18091 3858 1 10 . 1 1 66 66 ILE H H 584 7.590 7.590 7.690 -0.100 18091 3859 1 10 . 1 1 67 67 ILE N N 585 116.360 116.360 117.744 -1.384 18091 3860 1 10 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.362 -0.192 18091 3861 1 10 . 1 1 67 67 ILE C C 585 174.370 174.370 175.287 -0.917 18091 3862 1 10 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.054 -0.575 18091 3863 1 10 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.673 -1.043 18091 3864 1 10 . 1 1 67 67 ILE H H 585 6.490 6.490 7.227 -0.737 18091 3865 1 10 . 1 1 68 68 ARG N N 586 125.450 125.450 127.196 -1.746 18091 3866 1 10 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.482 -0.102 18091 3867 1 10 . 1 1 68 68 ARG C C 586 175.720 175.720 176.100 -0.380 18091 3868 1 10 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.738 -0.818 18091 3869 1 10 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.265 3.055 18091 3870 1 10 . 1 1 68 68 ARG H H 586 8.500 8.500 8.759 -0.259 18091 3871 1 10 . 1 1 69 69 THR N N 587 113.710 113.710 112.037 1.673 18091 3872 1 10 . 1 1 69 69 THR HA H 587 4.300 4.300 4.172 0.128 18091 3873 1 10 . 1 1 69 69 THR C C 587 174.760 174.760 175.906 -1.146 18091 3874 1 10 . 1 1 69 69 THR CA C 587 61.300 61.300 63.934 -2.634 18091 3875 1 10 . 1 1 69 69 THR CB C 587 69.720 69.720 69.005 0.715 18091 3876 1 10 . 1 1 69 69 THR H H 587 8.250 8.250 7.679 0.571 18091 3877 1 10 . 1 1 70 70 GLY N N 588 110.720 110.720 109.611 1.109 18091 3878 1 10 . 1 1 70 70 GLY C C 588 172.820 172.820 174.140 -1.320 18091 3879 1 10 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.398 -0.238 18091 3880 1 10 . 1 1 70 70 GLY H H 588 8.230 8.230 8.866 -0.636 18091 3881 1 11 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.394 -0.164 18091 3882 1 11 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.591 -0.341 18091 3883 1 11 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.470 -0.510 18091 3884 1 11 . 1 1 3 3 GLY N N 521 109.400 109.400 108.725 0.675 18091 3885 1 11 . 1 1 3 3 GLY C C 521 174.300 174.300 173.247 1.053 18091 3886 1 11 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.084 0.096 18091 3887 1 11 . 1 1 3 3 GLY H H 521 8.490 8.490 8.428 0.062 18091 3888 1 11 . 1 1 4 4 THR N N 522 112.480 112.480 113.654 -1.174 18091 3889 1 11 . 1 1 4 4 THR HA H 522 4.300 4.300 4.676 -0.376 18091 3890 1 11 . 1 1 4 4 THR C C 522 174.690 174.690 173.134 1.556 18091 3891 1 11 . 1 1 4 4 THR CA C 522 61.240 61.240 61.372 -0.132 18091 3892 1 11 . 1 1 4 4 THR CB C 522 69.960 69.960 71.085 -1.125 18091 3893 1 11 . 1 1 4 4 THR H H 522 7.860 7.860 7.796 0.064 18091 3894 1 11 . 1 1 5 5 SER N N 523 117.450 117.450 118.241 -0.791 18091 3895 1 11 . 1 1 5 5 SER HA H 523 3.890 3.890 4.743 -0.853 18091 3896 1 11 . 1 1 5 5 SER C C 523 173.320 173.320 173.301 0.019 18091 3897 1 11 . 1 1 5 5 SER CA C 523 58.460 58.460 58.055 0.405 18091 3898 1 11 . 1 1 5 5 SER CB C 523 63.690 63.690 64.534 -0.844 18091 3899 1 11 . 1 1 5 5 SER H H 523 8.300 8.300 8.544 -0.244 18091 3900 1 11 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.687 -0.337 18091 3901 1 11 . 1 1 6 6 ASN C C 524 174.670 174.670 173.785 0.885 18091 3902 1 11 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.458 -0.398 18091 3903 1 11 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.117 -0.408 18091 3904 1 11 . 1 1 7 7 GLU N N 525 120.970 120.970 122.329 -1.359 18091 3905 1 11 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.496 -0.156 18091 3906 1 11 . 1 1 7 7 GLU C C 525 176.900 176.900 175.889 1.011 18091 3907 1 11 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.886 0.154 18091 3908 1 11 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.131 -1.061 18091 3909 1 11 . 1 1 7 7 GLU H H 525 7.970 7.970 8.129 -0.159 18091 3910 1 11 . 1 1 8 8 THR N N 526 116.960 116.960 115.592 1.368 18091 3911 1 11 . 1 1 8 8 THR HA H 526 4.540 4.540 4.740 -0.200 18091 3912 1 11 . 1 1 8 8 THR C C 526 173.410 173.410 174.173 -0.763 18091 3913 1 11 . 1 1 8 8 THR CA C 526 60.080 60.080 59.129 0.951 18091 3914 1 11 . 1 1 8 8 THR CB C 526 68.500 68.500 68.354 0.146 18091 3915 1 11 . 1 1 8 8 THR H H 526 8.630 8.630 8.433 0.197 18091 3916 1 11 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.054 0.136 18091 3917 1 11 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.432 0.678 18091 3918 1 11 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.841 -0.261 18091 3919 1 11 . 1 1 10 10 GLU N N 528 118.610 118.610 117.130 1.480 18091 3920 1 11 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.200 -0.220 18091 3921 1 11 . 1 1 10 10 GLU C C 528 178.550 178.550 178.111 0.439 18091 3922 1 11 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.614 -0.034 18091 3923 1 11 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.299 -0.309 18091 3924 1 11 . 1 1 10 10 GLU H H 528 8.550 8.550 8.759 -0.209 18091 3925 1 11 . 1 1 11 11 GLU N N 529 121.090 121.090 119.149 1.941 18091 3926 1 11 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.062 -0.132 18091 3927 1 11 . 1 1 11 11 GLU C C 529 179.470 179.470 178.646 0.824 18091 3928 1 11 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.136 -0.186 18091 3929 1 11 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.505 -0.025 18091 3930 1 11 . 1 1 11 11 GLU H H 529 7.870 7.870 7.492 0.378 18091 3931 1 11 . 1 1 12 12 THR N N 530 118.050 118.050 116.581 1.469 18091 3932 1 11 . 1 1 12 12 THR HA H 530 3.750 3.750 3.927 -0.177 18091 3933 1 11 . 1 1 12 12 THR C C 530 175.770 175.770 176.592 -0.822 18091 3934 1 11 . 1 1 12 12 THR CA C 530 66.320 66.320 67.288 -0.968 18091 3935 1 11 . 1 1 12 12 THR CB C 530 68.430 68.430 68.509 -0.079 18091 3936 1 11 . 1 1 12 12 THR H H 530 8.390 8.390 7.341 1.049 18091 3937 1 11 . 1 1 13 13 TYR N N 531 122.280 122.280 120.209 2.071 18091 3938 1 11 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.101 -0.281 18091 3939 1 11 . 1 1 13 13 TYR C C 531 176.420 176.420 178.270 -1.850 18091 3940 1 11 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.086 0.354 18091 3941 1 11 . 1 1 13 13 TYR CB C 531 38.110 38.110 36.908 1.202 18091 3942 1 11 . 1 1 13 13 TYR H H 531 8.050 8.050 7.395 0.655 18091 3943 1 11 . 1 1 14 14 GLN N N 532 116.250 116.250 118.231 -1.981 18091 3944 1 11 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.927 -0.237 18091 3945 1 11 . 1 1 14 14 GLN C C 532 178.800 178.800 178.395 0.405 18091 3946 1 11 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.987 -0.367 18091 3947 1 11 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.460 -0.400 18091 3948 1 11 . 1 1 14 14 GLN H H 532 8.010 8.010 7.910 0.100 18091 3949 1 11 . 1 1 15 15 ARG N N 533 118.730 118.730 119.765 -1.035 18091 3950 1 11 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.006 -0.086 18091 3951 1 11 . 1 1 15 15 ARG C C 533 179.030 179.030 178.951 0.079 18091 3952 1 11 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.137 0.003 18091 3953 1 11 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.213 -0.413 18091 3954 1 11 . 1 1 15 15 ARG H H 533 7.800 7.800 7.890 -0.090 18091 3955 1 11 . 1 1 16 16 ALA N N 534 123.500 123.500 121.815 1.685 18091 3956 1 11 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.016 -0.056 18091 3957 1 11 . 1 1 16 16 ALA C C 534 178.860 178.860 179.790 -0.930 18091 3958 1 11 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.978 -0.308 18091 3959 1 11 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.496 0.234 18091 3960 1 11 . 1 1 16 16 ALA H H 534 8.210 8.210 7.913 0.297 18091 3961 1 11 . 1 1 17 17 MET N N 535 111.910 111.910 114.971 -3.061 18091 3962 1 11 . 1 1 17 17 MET HA H 535 4.020 4.020 4.248 -0.228 18091 3963 1 11 . 1 1 17 17 MET C C 535 176.890 176.890 177.564 -0.674 18091 3964 1 11 . 1 1 17 17 MET CA C 535 55.200 55.200 57.312 -2.112 18091 3965 1 11 . 1 1 17 17 MET CB C 535 31.110 31.110 31.885 -0.775 18091 3966 1 11 . 1 1 17 17 MET H H 535 7.480 7.480 7.972 -0.492 18091 3967 1 11 . 1 1 18 18 LYS N N 536 116.840 116.840 116.392 0.448 18091 3968 1 11 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.232 -0.242 18091 3969 1 11 . 1 1 18 18 LYS C C 536 176.690 176.690 176.627 0.063 18091 3970 1 11 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.805 -0.215 18091 3971 1 11 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.640 -0.300 18091 3972 1 11 . 1 1 18 18 LYS H H 536 7.180 7.180 7.347 -0.167 18091 3973 1 11 . 1 1 19 19 ASP N N 537 122.680 122.680 121.417 1.263 18091 3974 1 11 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.893 -0.093 18091 3975 1 11 . 1 1 19 19 ASP C C 537 174.720 174.720 175.367 -0.647 18091 3976 1 11 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.168 -0.078 18091 3977 1 11 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.377 0.593 18091 3978 1 11 . 1 1 19 19 ASP H H 537 7.530 7.530 7.594 -0.064 18091 3979 1 11 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.231 -0.091 18091 3980 1 11 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.912 -0.162 18091 3981 1 11 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.144 -0.024 18091 3982 1 11 . 1 1 21 21 GLU N N 539 118.590 118.590 117.925 0.665 18091 3983 1 11 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.069 -0.059 18091 3984 1 11 . 1 1 21 21 GLU C C 539 179.010 179.010 179.072 -0.062 18091 3985 1 11 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.216 -0.366 18091 3986 1 11 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.291 0.049 18091 3987 1 11 . 1 1 21 21 GLU H H 539 8.200 8.200 7.978 0.222 18091 3988 1 11 . 1 1 22 22 VAL N N 540 120.690 120.690 120.574 0.116 18091 3989 1 11 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.555 -0.325 18091 3990 1 11 . 1 1 22 22 VAL C C 540 177.740 177.740 177.770 -0.030 18091 3991 1 11 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.441 -0.351 18091 3992 1 11 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.522 -0.172 18091 3993 1 11 . 1 1 22 22 VAL H H 540 7.350 7.350 7.518 -0.168 18091 3994 1 11 . 1 1 23 23 ALA N N 541 121.460 121.460 122.288 -0.828 18091 3995 1 11 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.938 -0.168 18091 3996 1 11 . 1 1 23 23 ALA C C 541 179.660 179.660 179.217 0.443 18091 3997 1 11 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.112 0.278 18091 3998 1 11 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.232 -0.522 18091 3999 1 11 . 1 1 23 23 ALA H H 541 8.430 8.430 7.649 0.781 18091 4000 1 11 . 1 1 24 24 ALA N N 542 117.000 117.000 120.522 -3.522 18091 4001 1 11 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.044 -0.104 18091 4002 1 11 . 1 1 24 24 ALA C C 542 180.880 180.880 179.456 1.424 18091 4003 1 11 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.585 0.115 18091 4004 1 11 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.725 -0.775 18091 4005 1 11 . 1 1 24 24 ALA H H 542 7.380 7.380 7.492 -0.112 18091 4006 1 11 . 1 1 25 25 ILE N N 543 119.750 119.750 118.453 1.297 18091 4007 1 11 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.653 0.037 18091 4008 1 11 . 1 1 25 25 ILE C C 543 177.450 177.450 178.419 -0.969 18091 4009 1 11 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.885 0.075 18091 4010 1 11 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.111 0.169 18091 4011 1 11 . 1 1 25 25 ILE H H 543 7.380 7.380 7.424 -0.044 18091 4012 1 11 . 1 1 26 26 MET N N 544 113.830 113.830 117.306 -3.476 18091 4013 1 11 . 1 1 26 26 MET HA H 544 4.140 4.140 4.092 0.048 18091 4014 1 11 . 1 1 26 26 MET C C 544 177.680 177.680 177.809 -0.129 18091 4015 1 11 . 1 1 26 26 MET CA C 544 55.660 55.660 58.588 -2.928 18091 4016 1 11 . 1 1 26 26 MET CB C 544 30.690 30.690 32.444 -1.754 18091 4017 1 11 . 1 1 26 26 MET H H 544 7.870 7.870 7.951 -0.081 18091 4018 1 11 . 1 1 27 27 GLN N N 545 115.210 115.210 115.725 -0.515 18091 4019 1 11 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.267 -0.187 18091 4020 1 11 . 1 1 27 27 GLN C C 545 175.170 175.170 175.741 -0.571 18091 4021 1 11 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.978 -0.538 18091 4022 1 11 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.124 -0.134 18091 4023 1 11 . 1 1 27 27 GLN H H 545 7.340 7.340 7.426 -0.086 18091 4024 1 11 . 1 1 28 28 ASP N N 546 123.270 123.270 120.355 2.915 18091 4025 1 11 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.959 -0.239 18091 4026 1 11 . 1 1 28 28 ASP C C 546 175.220 175.220 175.563 -0.343 18091 4027 1 11 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.688 0.652 18091 4028 1 11 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.219 0.161 18091 4029 1 11 . 1 1 28 28 ASP H H 546 7.320 7.320 7.983 -0.663 18091 4030 1 11 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.352 -0.232 18091 4031 1 11 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.163 0.757 18091 4032 1 11 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.107 0.153 18091 4033 1 11 . 1 1 30 30 VAL N N 548 119.870 119.870 120.016 -0.146 18091 4034 1 11 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.643 -0.063 18091 4035 1 11 . 1 1 30 30 VAL C C 548 179.010 179.010 177.708 1.302 18091 4036 1 11 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.523 -0.523 18091 4037 1 11 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.302 -0.192 18091 4038 1 11 . 1 1 30 30 VAL H H 548 8.000 8.000 8.212 -0.212 18091 4039 1 11 . 1 1 31 31 MET N N 549 118.270 118.270 116.726 1.544 18091 4040 1 11 . 1 1 31 31 MET HA H 549 4.340 4.340 3.967 0.373 18091 4041 1 11 . 1 1 31 31 MET C C 549 178.830 178.830 178.127 0.703 18091 4042 1 11 . 1 1 31 31 MET CA C 549 55.140 55.140 59.259 -4.119 18091 4043 1 11 . 1 1 31 31 MET CB C 549 28.840 28.840 32.173 -3.333 18091 4044 1 11 . 1 1 31 31 MET H H 549 7.250 7.250 7.450 -0.200 18091 4045 1 11 . 1 1 32 32 GLN N N 550 118.190 118.190 119.966 -1.776 18091 4046 1 11 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.940 -0.200 18091 4047 1 11 . 1 1 32 32 GLN C C 550 178.840 178.840 178.373 0.467 18091 4048 1 11 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.317 0.103 18091 4049 1 11 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.341 -0.681 18091 4050 1 11 . 1 1 32 32 GLN H H 550 8.310 8.310 7.913 0.397 18091 4051 1 11 . 1 1 33 33 SER N N 551 114.010 114.010 116.215 -2.205 18091 4052 1 11 . 1 1 33 33 SER HA H 551 4.140 4.140 4.130 0.010 18091 4053 1 11 . 1 1 33 33 SER C C 551 176.840 176.840 176.826 0.014 18091 4054 1 11 . 1 1 33 33 SER CA C 551 61.330 61.330 61.791 -0.461 18091 4055 1 11 . 1 1 33 33 SER CB C 551 62.450 62.450 62.989 -0.539 18091 4056 1 11 . 1 1 33 33 SER H H 551 7.570 7.570 7.596 -0.026 18091 4057 1 11 . 1 1 34 34 ILE N N 552 123.490 123.490 122.771 0.719 18091 4058 1 11 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.612 -0.332 18091 4059 1 11 . 1 1 34 34 ILE C C 552 177.630 177.630 178.106 -0.476 18091 4060 1 11 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.128 0.552 18091 4061 1 11 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.554 0.166 18091 4062 1 11 . 1 1 34 34 ILE H H 552 7.600 7.600 7.454 0.146 18091 4063 1 11 . 1 1 35 35 LEU N N 553 119.520 119.520 119.368 0.152 18091 4064 1 11 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.805 -0.055 18091 4065 1 11 . 1 1 35 35 LEU C C 553 179.440 179.440 179.055 0.385 18091 4066 1 11 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.080 -0.130 18091 4067 1 11 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.255 -0.555 18091 4068 1 11 . 1 1 35 35 LEU H H 553 8.330 8.330 7.942 0.388 18091 4069 1 11 . 1 1 36 36 GLN N N 554 118.590 118.590 118.891 -0.301 18091 4070 1 11 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.059 -0.139 18091 4071 1 11 . 1 1 36 36 GLN C C 554 178.560 178.560 178.701 -0.141 18091 4072 1 11 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.895 -0.235 18091 4073 1 11 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.701 -0.641 18091 4074 1 11 . 1 1 36 36 GLN H H 554 7.800 7.800 7.860 -0.060 18091 4075 1 11 . 1 1 37 37 GLN N N 555 119.520 119.520 118.188 1.332 18091 4076 1 11 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.070 -0.140 18091 4077 1 11 . 1 1 37 37 GLN C C 555 178.400 178.400 178.646 -0.246 18091 4078 1 11 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.444 0.086 18091 4079 1 11 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.382 0.408 18091 4080 1 11 . 1 1 37 37 GLN H H 555 7.990 7.990 7.935 0.055 18091 4081 1 11 . 1 1 38 38 ALA N N 556 120.730 120.730 121.391 -0.661 18091 4082 1 11 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.306 -0.196 18091 4083 1 11 . 1 1 38 38 ALA C C 556 178.310 178.310 180.042 -1.732 18091 4084 1 11 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.719 -1.219 18091 4085 1 11 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.300 0.070 18091 4086 1 11 . 1 1 38 38 ALA H H 556 8.310 8.310 8.151 0.159 18091 4087 1 11 . 1 1 39 39 GLN N N 557 115.600 115.600 118.506 -2.906 18091 4088 1 11 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.027 -0.067 18091 4089 1 11 . 1 1 39 39 GLN C C 557 177.260 177.260 178.474 -1.214 18091 4090 1 11 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.311 -0.391 18091 4091 1 11 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.636 -0.156 18091 4092 1 11 . 1 1 39 39 GLN H H 557 7.530 7.530 7.770 -0.240 18091 4093 1 11 . 1 1 40 40 GLN N N 558 115.310 115.310 116.690 -1.380 18091 4094 1 11 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.179 0.001 18091 4095 1 11 . 1 1 40 40 GLN C C 558 176.030 176.030 176.196 -0.166 18091 4096 1 11 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.593 -1.043 18091 4097 1 11 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.862 -0.542 18091 4098 1 11 . 1 1 40 40 GLN H H 558 7.350 7.350 7.644 -0.294 18091 4099 1 11 . 1 1 41 41 ASN N N 559 114.850 114.850 115.466 -0.616 18091 4100 1 11 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.097 -0.147 18091 4101 1 11 . 1 1 41 41 ASN C C 559 172.420 172.420 173.275 -0.855 18091 4102 1 11 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.097 -0.667 18091 4103 1 11 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.352 -1.472 18091 4104 1 11 . 1 1 41 41 ASN H H 559 7.900 7.900 7.947 -0.047 18091 4105 1 11 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.505 -0.175 18091 4106 1 11 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.966 0.034 18091 4107 1 11 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.173 -0.493 18091 4108 1 11 . 1 1 43 43 ALA N N 561 119.920 119.920 120.446 -0.526 18091 4109 1 11 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.131 -0.001 18091 4110 1 11 . 1 1 43 43 ALA C C 561 179.510 179.510 178.772 0.738 18091 4111 1 11 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.088 -0.038 18091 4112 1 11 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.351 -0.301 18091 4113 1 11 . 1 1 43 43 ALA H H 561 7.850 7.850 7.568 0.282 18091 4114 1 11 . 1 1 44 44 ALA N N 562 120.790 120.790 121.046 -0.256 18091 4115 1 11 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.098 -0.078 18091 4116 1 11 . 1 1 44 44 ALA C C 562 179.570 179.570 179.348 0.222 18091 4117 1 11 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.252 -1.132 18091 4118 1 11 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.534 -0.334 18091 4119 1 11 . 1 1 44 44 ALA H H 562 7.980 7.980 8.197 -0.217 18091 4120 1 11 . 1 1 45 45 LEU N N 563 116.420 116.420 115.853 0.567 18091 4121 1 11 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.212 -0.232 18091 4122 1 11 . 1 1 45 45 LEU C C 563 178.220 178.220 178.702 -0.482 18091 4123 1 11 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.484 0.156 18091 4124 1 11 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.743 0.947 18091 4125 1 11 . 1 1 45 45 LEU H H 563 7.510 7.510 7.694 -0.184 18091 4126 1 11 . 1 1 46 46 GLN N N 564 115.510 115.510 120.653 -5.143 18091 4127 1 11 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091 4128 1 11 . 1 1 46 46 GLN C C 564 178.300 178.300 177.963 0.337 18091 4129 1 11 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.321 -0.601 18091 4130 1 11 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.538 -0.518 18091 4131 1 11 . 1 1 46 46 GLN H H 564 7.510 7.510 7.723 -0.213 18091 4132 1 11 . 1 1 47 47 GLU N N 565 117.680 117.680 117.993 -0.313 18091 4133 1 11 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.977 -0.077 18091 4134 1 11 . 1 1 47 47 GLU C C 565 179.070 179.070 179.188 -0.118 18091 4135 1 11 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.048 -0.668 18091 4136 1 11 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.008 -0.018 18091 4137 1 11 . 1 1 47 47 GLU H H 565 7.440 7.440 7.815 -0.375 18091 4138 1 11 . 1 1 48 48 HIS N N 566 118.220 118.220 119.210 -0.990 18091 4139 1 11 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.391 -0.011 18091 4140 1 11 . 1 1 48 48 HIS C C 566 177.280 177.280 177.810 -0.530 18091 4141 1 11 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.129 -0.269 18091 4142 1 11 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.879 1.561 18091 4143 1 11 . 1 1 48 48 HIS H H 566 7.420 7.420 7.538 -0.118 18091 4144 1 11 . 1 1 49 49 MET N N 567 115.200 115.200 119.387 -4.187 18091 4145 1 11 . 1 1 49 49 MET HA H 567 3.840 3.840 4.282 -0.442 18091 4146 1 11 . 1 1 49 49 MET C C 567 175.260 175.260 178.063 -2.803 18091 4147 1 11 . 1 1 49 49 MET CA C 567 57.840 57.840 58.940 -1.100 18091 4148 1 11 . 1 1 49 49 MET CB C 567 33.080 33.080 32.599 0.481 18091 4149 1 11 . 1 1 49 49 MET H H 567 7.710 7.710 7.990 -0.280 18091 4150 1 11 . 1 1 50 50 LYS N N 568 116.040 116.040 116.917 -0.877 18091 4151 1 11 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.022 -0.062 18091 4152 1 11 . 1 1 50 50 LYS C C 568 176.220 176.220 177.052 -0.832 18091 4153 1 11 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.745 -0.355 18091 4154 1 11 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.284 -0.064 18091 4155 1 11 . 1 1 50 50 LYS H H 568 7.140 7.140 7.620 -0.480 18091 4156 1 11 . 1 1 51 51 ASN N N 569 119.600 119.600 118.407 1.193 18091 4157 1 11 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.802 0.218 18091 4158 1 11 . 1 1 51 51 ASN C C 569 173.920 173.920 175.018 -1.098 18091 4159 1 11 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.335 -1.385 18091 4160 1 11 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.397 -0.397 18091 4161 1 11 . 1 1 51 51 ASN H H 569 7.480 7.480 7.546 -0.066 18091 4162 1 11 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.325 -0.065 18091 4163 1 11 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.720 -0.610 18091 4164 1 11 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.149 0.121 18091 4165 1 11 . 1 1 53 53 GLU N N 571 116.870 116.870 119.313 -2.443 18091 4166 1 11 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.173 -0.103 18091 4167 1 11 . 1 1 53 53 GLU C C 571 178.830 178.830 178.961 -0.131 18091 4168 1 11 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.582 -0.702 18091 4169 1 11 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.455 -0.025 18091 4170 1 11 . 1 1 53 53 GLU H H 571 7.960 7.960 8.744 -0.784 18091 4171 1 11 . 1 1 54 54 VAL N N 572 118.290 118.290 119.408 -1.118 18091 4172 1 11 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.838 -0.178 18091 4173 1 11 . 1 1 54 54 VAL C C 572 177.620 177.620 177.990 -0.370 18091 4174 1 11 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.086 -0.986 18091 4175 1 11 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.235 0.975 18091 4176 1 11 . 1 1 54 54 VAL H H 572 7.330 7.330 7.966 -0.636 18091 4177 1 11 . 1 1 55 55 PHE N N 573 121.090 121.090 121.795 -0.705 18091 4178 1 11 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.225 -0.335 18091 4179 1 11 . 1 1 55 55 PHE C C 573 176.760 176.760 177.013 -0.253 18091 4180 1 11 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.837 0.393 18091 4181 1 11 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.968 -0.348 18091 4182 1 11 . 1 1 55 55 PHE H H 573 8.700 8.700 8.815 -0.115 18091 4183 1 11 . 1 1 56 56 LYS N N 574 116.910 116.910 117.577 -0.667 18091 4184 1 11 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.787 0.003 18091 4185 1 11 . 1 1 56 56 LYS C C 574 178.980 178.980 178.881 0.099 18091 4186 1 11 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.244 0.236 18091 4187 1 11 . 1 1 56 56 LYS CB C 574 32.200 32.200 31.995 0.204 18091 4188 1 11 . 1 1 56 56 LYS H H 574 7.800 7.800 7.922 -0.122 18091 4189 1 11 . 1 1 57 57 LYS N N 575 119.120 119.120 120.341 -1.221 18091 4190 1 11 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.038 -0.128 18091 4191 1 11 . 1 1 57 57 LYS C C 575 178.520 178.520 179.069 -0.549 18091 4192 1 11 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.355 0.595 18091 4193 1 11 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.408 0.652 18091 4194 1 11 . 1 1 57 57 LYS H H 575 7.170 7.170 7.200 -0.030 18091 4195 1 11 . 1 1 58 58 ILE N N 576 119.180 119.180 119.278 -0.098 18091 4196 1 11 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.738 -0.418 18091 4197 1 11 . 1 1 58 58 ILE C C 576 177.820 177.820 178.266 -0.446 18091 4198 1 11 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.064 0.466 18091 4199 1 11 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.995 -0.745 18091 4200 1 11 . 1 1 58 58 ILE H H 576 8.300 8.300 8.404 -0.104 18091 4201 1 11 . 1 1 59 59 GLN N N 577 118.000 118.000 118.384 -0.384 18091 4202 1 11 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.817 -0.147 18091 4203 1 11 . 1 1 59 59 GLN C C 577 179.250 179.250 178.551 0.699 18091 4204 1 11 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.269 -0.149 18091 4205 1 11 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.307 -0.467 18091 4206 1 11 . 1 1 59 59 GLN H H 577 8.180 8.180 7.848 0.332 18091 4207 1 11 . 1 1 60 60 THR N N 578 118.670 118.670 116.825 1.845 18091 4208 1 11 . 1 1 60 60 THR HA H 578 3.760 3.760 3.908 -0.148 18091 4209 1 11 . 1 1 60 60 THR C C 578 176.060 176.060 176.561 -0.501 18091 4210 1 11 . 1 1 60 60 THR CA C 578 66.890 66.890 67.189 -0.299 18091 4211 1 11 . 1 1 60 60 THR CB C 578 68.030 68.030 68.642 -0.613 18091 4212 1 11 . 1 1 60 60 THR H H 578 7.780 7.780 7.650 0.130 18091 4213 1 11 . 1 1 61 61 LEU N N 579 120.680 120.680 120.688 -0.008 18091 4214 1 11 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.048 -0.198 18091 4215 1 11 . 1 1 61 61 LEU C C 579 179.590 179.590 178.769 0.821 18091 4216 1 11 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.552 0.098 18091 4217 1 11 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.238 -0.258 18091 4218 1 11 . 1 1 61 61 LEU H H 579 7.620 7.620 7.346 0.274 18091 4219 1 11 . 1 1 62 62 ILE N N 580 122.880 122.880 120.790 2.090 18091 4220 1 11 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.929 0.101 18091 4221 1 11 . 1 1 62 62 ILE C C 580 180.260 180.260 179.135 1.125 18091 4222 1 11 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.962 -0.232 18091 4223 1 11 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.731 0.579 18091 4224 1 11 . 1 1 62 62 ILE H H 580 8.540 8.540 7.607 0.932 18091 4225 1 11 . 1 1 63 63 ALA N N 581 124.510 124.510 122.493 2.017 18091 4226 1 11 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.014 -0.044 18091 4227 1 11 . 1 1 63 63 ALA C C 581 179.000 179.000 179.006 -0.006 18091 4228 1 11 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.892 -0.052 18091 4229 1 11 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.082 -0.582 18091 4230 1 11 . 1 1 63 63 ALA H H 581 8.120 8.120 8.123 -0.003 18091 4231 1 11 . 1 1 64 64 ALA N N 582 116.250 116.250 117.484 -1.234 18091 4232 1 11 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.204 -0.064 18091 4233 1 11 . 1 1 64 64 ALA C C 582 177.040 177.040 178.117 -1.077 18091 4234 1 11 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.195 -0.015 18091 4235 1 11 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.963 0.897 18091 4236 1 11 . 1 1 64 64 ALA H H 582 7.470 7.470 7.461 0.009 18091 4237 1 11 . 1 1 65 65 GLY N N 583 104.540 104.540 106.366 -1.826 18091 4238 1 11 . 1 1 65 65 GLY C C 583 174.180 174.180 174.939 -0.759 18091 4239 1 11 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.052 -1.262 18091 4240 1 11 . 1 1 65 65 GLY H H 583 7.600 7.600 7.902 -0.302 18091 4241 1 11 . 1 1 66 66 ILE N N 584 118.630 118.630 116.745 1.885 18091 4242 1 11 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.220 -0.460 18091 4243 1 11 . 1 1 66 66 ILE C C 584 175.660 175.660 175.451 0.209 18091 4244 1 11 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.338 -0.788 18091 4245 1 11 . 1 1 66 66 ILE CB C 584 37.610 37.610 39.377 -1.767 18091 4246 1 11 . 1 1 66 66 ILE H H 584 7.590 7.590 7.830 -0.240 18091 4247 1 11 . 1 1 67 67 ILE N N 585 116.360 116.360 117.421 -1.061 18091 4248 1 11 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.372 -0.202 18091 4249 1 11 . 1 1 67 67 ILE C C 585 174.370 174.370 175.903 -1.533 18091 4250 1 11 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.123 -0.643 18091 4251 1 11 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.595 -0.965 18091 4252 1 11 . 1 1 67 67 ILE H H 585 6.490 6.490 7.388 -0.898 18091 4253 1 11 . 1 1 68 68 ARG N N 586 125.450 125.450 120.831 4.619 18091 4254 1 11 . 1 1 68 68 ARG HA H 586 4.380 4.380 3.898 0.482 18091 4255 1 11 . 1 1 68 68 ARG C C 586 175.720 175.720 176.197 -0.477 18091 4256 1 11 . 1 1 68 68 ARG CA C 586 54.920 54.920 58.732 -3.812 18091 4257 1 11 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.919 2.401 18091 4258 1 11 . 1 1 68 68 ARG H H 586 8.500 8.500 8.943 -0.443 18091 4259 1 11 . 1 1 69 69 THR N N 587 113.710 113.710 114.806 -1.096 18091 4260 1 11 . 1 1 69 69 THR HA H 587 4.300 4.300 4.194 0.106 18091 4261 1 11 . 1 1 69 69 THR C C 587 174.760 174.760 174.479 0.281 18091 4262 1 11 . 1 1 69 69 THR CA C 587 61.300 61.300 62.925 -1.625 18091 4263 1 11 . 1 1 69 69 THR CB C 587 69.720 69.720 67.835 1.885 18091 4264 1 11 . 1 1 69 69 THR H H 587 8.250 8.250 8.025 0.225 18091 4265 1 11 . 1 1 70 70 GLY N N 588 110.720 110.720 114.191 -3.471 18091 4266 1 11 . 1 1 70 70 GLY C C 588 172.820 172.820 173.462 -0.642 18091 4267 1 11 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.826 0.334 18091 4268 1 11 . 1 1 70 70 GLY H H 588 8.230 8.230 7.785 0.445 18091 4269 1 12 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.994 -0.764 18091 4270 1 12 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.233 0.018 18091 4271 1 12 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.249 -1.289 18091 4272 1 12 . 1 1 3 3 GLY N N 521 109.400 109.400 111.457 -2.057 18091 4273 1 12 . 1 1 3 3 GLY C C 521 174.300 174.300 174.644 -0.344 18091 4274 1 12 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.223 -0.043 18091 4275 1 12 . 1 1 3 3 GLY H H 521 8.490 8.490 8.558 -0.068 18091 4276 1 12 . 1 1 4 4 THR N N 522 112.480 112.480 110.220 2.260 18091 4277 1 12 . 1 1 4 4 THR HA H 522 4.300 4.300 4.358 -0.058 18091 4278 1 12 . 1 1 4 4 THR C C 522 174.690 174.690 174.818 -0.128 18091 4279 1 12 . 1 1 4 4 THR CA C 522 61.240 61.240 62.166 -0.926 18091 4280 1 12 . 1 1 4 4 THR CB C 522 69.960 69.960 69.433 0.527 18091 4281 1 12 . 1 1 4 4 THR H H 522 7.860 7.860 8.065 -0.205 18091 4282 1 12 . 1 1 5 5 SER N N 523 117.450 117.450 115.469 1.981 18091 4283 1 12 . 1 1 5 5 SER HA H 523 3.890 3.890 4.577 -0.687 18091 4284 1 12 . 1 1 5 5 SER C C 523 173.320 173.320 173.067 0.253 18091 4285 1 12 . 1 1 5 5 SER CA C 523 58.460 58.460 56.801 1.659 18091 4286 1 12 . 1 1 5 5 SER CB C 523 63.690 63.690 64.262 -0.572 18091 4287 1 12 . 1 1 5 5 SER H H 523 8.300 8.300 7.807 0.493 18091 4288 1 12 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.517 -0.167 18091 4289 1 12 . 1 1 6 6 ASN C C 524 174.670 174.670 174.985 -0.315 18091 4290 1 12 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.302 -1.242 18091 4291 1 12 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.049 -0.339 18091 4292 1 12 . 1 1 7 7 GLU N N 525 120.970 120.970 118.661 2.309 18091 4293 1 12 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.536 -0.196 18091 4294 1 12 . 1 1 7 7 GLU C C 525 176.900 176.900 174.808 2.092 18091 4295 1 12 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.404 0.636 18091 4296 1 12 . 1 1 7 7 GLU CB C 525 31.070 31.070 33.495 -2.425 18091 4297 1 12 . 1 1 7 7 GLU H H 525 7.970 7.970 8.363 -0.393 18091 4298 1 12 . 1 1 8 8 THR N N 526 116.960 116.960 113.483 3.477 18091 4299 1 12 . 1 1 8 8 THR HA H 526 4.540 4.540 4.492 0.048 18091 4300 1 12 . 1 1 8 8 THR C C 526 173.410 173.410 174.405 -0.995 18091 4301 1 12 . 1 1 8 8 THR CA C 526 60.080 60.080 60.707 -0.627 18091 4302 1 12 . 1 1 8 8 THR CB C 526 68.500 68.500 68.019 0.481 18091 4303 1 12 . 1 1 8 8 THR H H 526 8.630 8.630 8.299 0.331 18091 4304 1 12 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.143 0.047 18091 4305 1 12 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.212 -0.102 18091 4306 1 12 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.874 -0.294 18091 4307 1 12 . 1 1 10 10 GLU N N 528 118.610 118.610 118.265 0.345 18091 4308 1 12 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091 4309 1 12 . 1 1 10 10 GLU C C 528 178.550 178.550 178.599 -0.049 18091 4310 1 12 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.679 -0.099 18091 4311 1 12 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.314 -0.324 18091 4312 1 12 . 1 1 10 10 GLU H H 528 8.550 8.550 8.816 -0.266 18091 4313 1 12 . 1 1 11 11 GLU N N 529 121.090 121.090 118.618 2.472 18091 4314 1 12 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.098 -0.168 18091 4315 1 12 . 1 1 11 11 GLU C C 529 179.470 179.470 178.667 0.803 18091 4316 1 12 . 1 1 11 11 GLU CA C 529 58.950 58.950 60.168 -1.218 18091 4317 1 12 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.550 -0.070 18091 4318 1 12 . 1 1 11 11 GLU H H 529 7.870 7.870 8.731 -0.861 18091 4319 1 12 . 1 1 12 12 THR N N 530 118.050 118.050 116.468 1.582 18091 4320 1 12 . 1 1 12 12 THR HA H 530 3.750 3.750 3.992 -0.242 18091 4321 1 12 . 1 1 12 12 THR C C 530 175.770 175.770 176.607 -0.837 18091 4322 1 12 . 1 1 12 12 THR CA C 530 66.320 66.320 66.647 -0.327 18091 4323 1 12 . 1 1 12 12 THR CB C 530 68.430 68.430 68.097 0.333 18091 4324 1 12 . 1 1 12 12 THR H H 530 8.390 8.390 7.356 1.034 18091 4325 1 12 . 1 1 13 13 TYR N N 531 122.280 122.280 120.529 1.751 18091 4326 1 12 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.062 -0.242 18091 4327 1 12 . 1 1 13 13 TYR C C 531 176.420 176.420 178.214 -1.794 18091 4328 1 12 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.393 -0.953 18091 4329 1 12 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.492 0.618 18091 4330 1 12 . 1 1 13 13 TYR H H 531 8.050 8.050 7.769 0.281 18091 4331 1 12 . 1 1 14 14 GLN N N 532 116.250 116.250 118.064 -1.814 18091 4332 1 12 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.942 -0.252 18091 4333 1 12 . 1 1 14 14 GLN C C 532 178.800 178.800 178.596 0.204 18091 4334 1 12 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.205 -0.585 18091 4335 1 12 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.440 -0.380 18091 4336 1 12 . 1 1 14 14 GLN H H 532 8.010 8.010 7.850 0.160 18091 4337 1 12 . 1 1 15 15 ARG N N 533 118.730 118.730 119.325 -0.595 18091 4338 1 12 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.019 -0.099 18091 4339 1 12 . 1 1 15 15 ARG C C 533 179.030 179.030 179.028 0.002 18091 4340 1 12 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.082 0.058 18091 4341 1 12 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.059 -0.259 18091 4342 1 12 . 1 1 15 15 ARG H H 533 7.800 7.800 7.876 -0.076 18091 4343 1 12 . 1 1 16 16 ALA N N 534 123.500 123.500 122.024 1.476 18091 4344 1 12 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.030 -0.070 18091 4345 1 12 . 1 1 16 16 ALA C C 534 178.860 178.860 179.553 -0.693 18091 4346 1 12 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.694 -0.024 18091 4347 1 12 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.442 0.288 18091 4348 1 12 . 1 1 16 16 ALA H H 534 8.210 8.210 8.024 0.186 18091 4349 1 12 . 1 1 17 17 MET N N 535 111.910 111.910 116.305 -4.395 18091 4350 1 12 . 1 1 17 17 MET HA H 535 4.020 4.020 4.180 -0.160 18091 4351 1 12 . 1 1 17 17 MET C C 535 176.890 176.890 177.366 -0.476 18091 4352 1 12 . 1 1 17 17 MET CA C 535 55.200 55.200 57.782 -2.583 18091 4353 1 12 . 1 1 17 17 MET CB C 535 31.110 31.110 32.421 -1.311 18091 4354 1 12 . 1 1 17 17 MET H H 535 7.480 7.480 7.998 -0.518 18091 4355 1 12 . 1 1 18 18 LYS N N 536 116.840 116.840 117.525 -0.685 18091 4356 1 12 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.124 -0.134 18091 4357 1 12 . 1 1 18 18 LYS C C 536 176.690 176.690 176.459 0.231 18091 4358 1 12 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.234 -0.644 18091 4359 1 12 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.458 -0.118 18091 4360 1 12 . 1 1 18 18 LYS H H 536 7.180 7.180 7.277 -0.097 18091 4361 1 12 . 1 1 19 19 ASP N N 537 122.680 122.680 121.340 1.340 18091 4362 1 12 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.910 -0.110 18091 4363 1 12 . 1 1 19 19 ASP C C 537 174.720 174.720 175.541 -0.821 18091 4364 1 12 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.138 -0.048 18091 4365 1 12 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.757 0.213 18091 4366 1 12 . 1 1 19 19 ASP H H 537 7.530 7.530 7.719 -0.189 18091 4367 1 12 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.240 -0.100 18091 4368 1 12 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.782 -0.032 18091 4369 1 12 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.163 -0.042 18091 4370 1 12 . 1 1 21 21 GLU N N 539 118.590 118.590 118.136 0.454 18091 4371 1 12 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.068 -0.058 18091 4372 1 12 . 1 1 21 21 GLU C C 539 179.010 179.010 179.086 -0.076 18091 4373 1 12 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.202 -0.352 18091 4374 1 12 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.327 0.013 18091 4375 1 12 . 1 1 21 21 GLU H H 539 8.200 8.200 7.929 0.271 18091 4376 1 12 . 1 1 22 22 VAL N N 540 120.690 120.690 120.363 0.327 18091 4377 1 12 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.563 -0.333 18091 4378 1 12 . 1 1 22 22 VAL C C 540 177.740 177.740 177.775 -0.035 18091 4379 1 12 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.533 -0.443 18091 4380 1 12 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.528 -0.178 18091 4381 1 12 . 1 1 22 22 VAL H H 540 7.350 7.350 7.791 -0.441 18091 4382 1 12 . 1 1 23 23 ALA N N 541 121.460 121.460 121.868 -0.408 18091 4383 1 12 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.943 -0.173 18091 4384 1 12 . 1 1 23 23 ALA C C 541 179.660 179.660 179.090 0.570 18091 4385 1 12 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.111 0.279 18091 4386 1 12 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.050 -0.340 18091 4387 1 12 . 1 1 23 23 ALA H H 541 8.430 8.430 7.530 0.900 18091 4388 1 12 . 1 1 24 24 ALA N N 542 117.000 117.000 121.139 -4.139 18091 4389 1 12 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091 4390 1 12 . 1 1 24 24 ALA C C 542 180.880 180.880 179.259 1.621 18091 4391 1 12 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.831 -0.131 18091 4392 1 12 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.389 -0.439 18091 4393 1 12 . 1 1 24 24 ALA H H 542 7.380 7.380 7.634 -0.254 18091 4394 1 12 . 1 1 25 25 ILE N N 543 119.750 119.750 117.401 2.349 18091 4395 1 12 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.701 -0.011 18091 4396 1 12 . 1 1 25 25 ILE C C 543 177.450 177.450 178.868 -1.418 18091 4397 1 12 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.671 0.289 18091 4398 1 12 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.049 0.231 18091 4399 1 12 . 1 1 25 25 ILE H H 543 7.380 7.380 7.491 -0.111 18091 4400 1 12 . 1 1 26 26 MET N N 544 113.830 113.830 118.102 -4.272 18091 4401 1 12 . 1 1 26 26 MET HA H 544 4.140 4.140 4.113 0.027 18091 4402 1 12 . 1 1 26 26 MET C C 544 177.680 177.680 177.790 -0.110 18091 4403 1 12 . 1 1 26 26 MET CA C 544 55.660 55.660 58.689 -3.029 18091 4404 1 12 . 1 1 26 26 MET CB C 544 30.690 30.690 32.649 -1.959 18091 4405 1 12 . 1 1 26 26 MET H H 544 7.870 7.870 7.698 0.172 18091 4406 1 12 . 1 1 27 27 GLN N N 545 115.210 115.210 114.999 0.211 18091 4407 1 12 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.378 -0.298 18091 4408 1 12 . 1 1 27 27 GLN C C 545 175.170 175.170 175.587 -0.417 18091 4409 1 12 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.956 -0.516 18091 4410 1 12 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.199 -0.209 18091 4411 1 12 . 1 1 27 27 GLN H H 545 7.340 7.340 7.480 -0.140 18091 4412 1 12 . 1 1 28 28 ASP N N 546 123.270 123.270 119.825 3.445 18091 4413 1 12 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.013 -0.293 18091 4414 1 12 . 1 1 28 28 ASP C C 546 175.220 175.220 175.297 -0.077 18091 4415 1 12 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.728 0.612 18091 4416 1 12 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.977 -0.597 18091 4417 1 12 . 1 1 28 28 ASP H H 546 7.320 7.320 7.588 -0.268 18091 4418 1 12 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.394 -0.274 18091 4419 1 12 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.910 1.010 18091 4420 1 12 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.794 -0.534 18091 4421 1 12 . 1 1 30 30 VAL N N 548 119.870 119.870 119.739 0.131 18091 4422 1 12 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.590 -0.010 18091 4423 1 12 . 1 1 30 30 VAL C C 548 179.010 179.010 177.712 1.298 18091 4424 1 12 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.600 -0.600 18091 4425 1 12 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.541 -0.431 18091 4426 1 12 . 1 1 30 30 VAL H H 548 8.000 8.000 7.702 0.298 18091 4427 1 12 . 1 1 31 31 MET N N 549 118.270 118.270 116.932 1.338 18091 4428 1 12 . 1 1 31 31 MET HA H 549 4.340 4.340 3.969 0.371 18091 4429 1 12 . 1 1 31 31 MET C C 549 178.830 178.830 178.071 0.759 18091 4430 1 12 . 1 1 31 31 MET CA C 549 55.140 55.140 58.694 -3.554 18091 4431 1 12 . 1 1 31 31 MET CB C 549 28.840 28.840 32.111 -3.271 18091 4432 1 12 . 1 1 31 31 MET H H 549 7.250 7.250 7.857 -0.607 18091 4433 1 12 . 1 1 32 32 GLN N N 550 118.190 118.190 119.965 -1.775 18091 4434 1 12 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.939 -0.199 18091 4435 1 12 . 1 1 32 32 GLN C C 550 178.840 178.840 178.276 0.564 18091 4436 1 12 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.347 0.073 18091 4437 1 12 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.509 -0.849 18091 4438 1 12 . 1 1 32 32 GLN H H 550 8.310 8.310 8.398 -0.088 18091 4439 1 12 . 1 1 33 33 SER N N 551 114.010 114.010 116.159 -2.149 18091 4440 1 12 . 1 1 33 33 SER HA H 551 4.140 4.140 4.143 -0.003 18091 4441 1 12 . 1 1 33 33 SER C C 551 176.840 176.840 176.834 0.006 18091 4442 1 12 . 1 1 33 33 SER CA C 551 61.330 61.330 61.898 -0.568 18091 4443 1 12 . 1 1 33 33 SER CB C 551 62.450 62.450 63.037 -0.587 18091 4444 1 12 . 1 1 33 33 SER H H 551 7.570 7.570 7.702 -0.132 18091 4445 1 12 . 1 1 34 34 ILE N N 552 123.490 123.490 122.766 0.724 18091 4446 1 12 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.658 -0.378 18091 4447 1 12 . 1 1 34 34 ILE C C 552 177.630 177.630 178.058 -0.428 18091 4448 1 12 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.205 0.475 18091 4449 1 12 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.499 0.221 18091 4450 1 12 . 1 1 34 34 ILE H H 552 7.600 7.600 7.570 0.030 18091 4451 1 12 . 1 1 35 35 LEU N N 553 119.520 119.520 119.531 -0.011 18091 4452 1 12 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.812 -0.062 18091 4453 1 12 . 1 1 35 35 LEU C C 553 179.440 179.440 179.215 0.225 18091 4454 1 12 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.072 -0.122 18091 4455 1 12 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.252 -0.552 18091 4456 1 12 . 1 1 35 35 LEU H H 553 8.330 8.330 7.784 0.546 18091 4457 1 12 . 1 1 36 36 GLN N N 554 118.590 118.590 117.998 0.592 18091 4458 1 12 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.094 -0.174 18091 4459 1 12 . 1 1 36 36 GLN C C 554 178.560 178.560 178.933 -0.373 18091 4460 1 12 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.753 -0.093 18091 4461 1 12 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.503 -0.443 18091 4462 1 12 . 1 1 36 36 GLN H H 554 7.800 7.800 7.799 0.001 18091 4463 1 12 . 1 1 37 37 GLN N N 555 119.520 119.520 119.876 -0.356 18091 4464 1 12 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.260 -0.330 18091 4465 1 12 . 1 1 37 37 GLN C C 555 178.400 178.400 178.161 0.239 18091 4466 1 12 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.392 0.137 18091 4467 1 12 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.441 0.349 18091 4468 1 12 . 1 1 37 37 GLN H H 555 7.990 7.990 8.078 -0.088 18091 4469 1 12 . 1 1 38 38 ALA N N 556 120.730 120.730 121.192 -0.462 18091 4470 1 12 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.427 -0.317 18091 4471 1 12 . 1 1 38 38 ALA C C 556 178.310 178.310 179.921 -1.611 18091 4472 1 12 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.749 -1.249 18091 4473 1 12 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.387 -0.017 18091 4474 1 12 . 1 1 38 38 ALA H H 556 8.310 8.310 8.059 0.251 18091 4475 1 12 . 1 1 39 39 GLN N N 557 115.600 115.600 117.456 -1.856 18091 4476 1 12 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.004 -0.044 18091 4477 1 12 . 1 1 39 39 GLN C C 557 177.260 177.260 178.648 -1.388 18091 4478 1 12 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.284 -0.364 18091 4479 1 12 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.616 -0.136 18091 4480 1 12 . 1 1 39 39 GLN H H 557 7.530 7.530 7.744 -0.214 18091 4481 1 12 . 1 1 40 40 GLN N N 558 115.310 115.310 116.954 -1.644 18091 4482 1 12 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091 4483 1 12 . 1 1 40 40 GLN C C 558 176.030 176.030 176.397 -0.367 18091 4484 1 12 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.715 -1.165 18091 4485 1 12 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.840 -0.520 18091 4486 1 12 . 1 1 40 40 GLN H H 558 7.350 7.350 7.562 -0.212 18091 4487 1 12 . 1 1 41 41 ASN N N 559 114.850 114.850 114.842 0.008 18091 4488 1 12 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.070 -0.120 18091 4489 1 12 . 1 1 41 41 ASN C C 559 172.420 172.420 173.256 -0.836 18091 4490 1 12 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.639 -1.209 18091 4491 1 12 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.167 -2.287 18091 4492 1 12 . 1 1 41 41 ASN H H 559 7.900 7.900 8.005 -0.105 18091 4493 1 12 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.602 -0.272 18091 4494 1 12 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.802 0.198 18091 4495 1 12 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.318 -0.638 18091 4496 1 12 . 1 1 43 43 ALA N N 561 119.920 119.920 120.507 -0.587 18091 4497 1 12 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.372 -0.242 18091 4498 1 12 . 1 1 43 43 ALA C C 561 179.510 179.510 178.686 0.824 18091 4499 1 12 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.067 -0.017 18091 4500 1 12 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.312 -0.262 18091 4501 1 12 . 1 1 43 43 ALA H H 561 7.850 7.850 7.643 0.207 18091 4502 1 12 . 1 1 44 44 ALA N N 562 120.790 120.790 121.500 -0.710 18091 4503 1 12 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.136 -0.116 18091 4504 1 12 . 1 1 44 44 ALA C C 562 179.570 179.570 179.102 0.468 18091 4505 1 12 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.038 -0.918 18091 4506 1 12 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.643 -0.443 18091 4507 1 12 . 1 1 44 44 ALA H H 562 7.980 7.980 7.686 0.294 18091 4508 1 12 . 1 1 45 45 LEU N N 563 116.420 116.420 115.867 0.553 18091 4509 1 12 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.282 -0.302 18091 4510 1 12 . 1 1 45 45 LEU C C 563 178.220 178.220 178.843 -0.623 18091 4511 1 12 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.860 0.780 18091 4512 1 12 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.500 1.190 18091 4513 1 12 . 1 1 45 45 LEU H H 563 7.510 7.510 7.868 -0.358 18091 4514 1 12 . 1 1 46 46 GLN N N 564 115.510 115.510 119.831 -4.321 18091 4515 1 12 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091 4516 1 12 . 1 1 46 46 GLN C C 564 178.300 178.300 178.473 -0.173 18091 4517 1 12 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.412 -0.692 18091 4518 1 12 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.474 -0.454 18091 4519 1 12 . 1 1 46 46 GLN H H 564 7.510 7.510 7.928 -0.418 18091 4520 1 12 . 1 1 47 47 GLU N N 565 117.680 117.680 117.909 -0.229 18091 4521 1 12 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.976 -0.076 18091 4522 1 12 . 1 1 47 47 GLU C C 565 179.070 179.070 179.213 -0.143 18091 4523 1 12 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.979 -0.599 18091 4524 1 12 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.053 -0.063 18091 4525 1 12 . 1 1 47 47 GLU H H 565 7.440 7.440 7.772 -0.332 18091 4526 1 12 . 1 1 48 48 HIS N N 566 118.220 118.220 119.300 -1.080 18091 4527 1 12 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.370 0.010 18091 4528 1 12 . 1 1 48 48 HIS C C 566 177.280 177.280 176.805 0.475 18091 4529 1 12 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.951 -0.091 18091 4530 1 12 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.803 1.637 18091 4531 1 12 . 1 1 48 48 HIS H H 566 7.420 7.420 7.366 0.054 18091 4532 1 12 . 1 1 49 49 MET N N 567 115.200 115.200 117.438 -2.238 18091 4533 1 12 . 1 1 49 49 MET HA H 567 3.840 3.840 4.340 -0.500 18091 4534 1 12 . 1 1 49 49 MET C C 567 175.260 175.260 177.949 -2.689 18091 4535 1 12 . 1 1 49 49 MET CA C 567 57.840 57.840 58.448 -0.608 18091 4536 1 12 . 1 1 49 49 MET CB C 567 33.080 33.080 32.883 0.197 18091 4537 1 12 . 1 1 49 49 MET H H 567 7.710 7.710 7.947 -0.237 18091 4538 1 12 . 1 1 50 50 LYS N N 568 116.040 116.040 116.322 -0.282 18091 4539 1 12 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.077 -0.117 18091 4540 1 12 . 1 1 50 50 LYS C C 568 176.220 176.220 176.826 -0.606 18091 4541 1 12 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.441 -0.051 18091 4542 1 12 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.381 -0.161 18091 4543 1 12 . 1 1 50 50 LYS H H 568 7.140 7.140 7.565 -0.425 18091 4544 1 12 . 1 1 51 51 ASN N N 569 119.600 119.600 118.206 1.394 18091 4545 1 12 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.825 0.195 18091 4546 1 12 . 1 1 51 51 ASN C C 569 173.920 173.920 175.356 -1.436 18091 4547 1 12 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.715 -1.764 18091 4548 1 12 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.865 -0.865 18091 4549 1 12 . 1 1 51 51 ASN H H 569 7.480 7.480 7.449 0.031 18091 4550 1 12 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.335 -0.075 18091 4551 1 12 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.771 -0.661 18091 4552 1 12 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.055 0.215 18091 4553 1 12 . 1 1 53 53 GLU N N 571 116.870 116.870 118.647 -1.777 18091 4554 1 12 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.166 -0.096 18091 4555 1 12 . 1 1 53 53 GLU C C 571 178.830 178.830 178.956 -0.126 18091 4556 1 12 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.408 -0.528 18091 4557 1 12 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.512 -0.082 18091 4558 1 12 . 1 1 53 53 GLU H H 571 7.960 7.960 8.532 -0.572 18091 4559 1 12 . 1 1 54 54 VAL N N 572 118.290 118.290 119.428 -1.138 18091 4560 1 12 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.768 -0.108 18091 4561 1 12 . 1 1 54 54 VAL C C 572 177.620 177.620 177.722 -0.102 18091 4562 1 12 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.628 -0.528 18091 4563 1 12 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.885 0.325 18091 4564 1 12 . 1 1 54 54 VAL H H 572 7.330 7.330 7.753 -0.423 18091 4565 1 12 . 1 1 55 55 PHE N N 573 121.090 121.090 121.527 -0.437 18091 4566 1 12 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.037 -0.147 18091 4567 1 12 . 1 1 55 55 PHE C C 573 176.760 176.760 177.006 -0.246 18091 4568 1 12 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.919 0.311 18091 4569 1 12 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.951 -0.331 18091 4570 1 12 . 1 1 55 55 PHE H H 573 8.700 8.700 8.646 0.054 18091 4571 1 12 . 1 1 56 56 LYS N N 574 116.910 116.910 119.490 -2.580 18091 4572 1 12 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.773 0.017 18091 4573 1 12 . 1 1 56 56 LYS C C 574 178.980 178.980 178.824 0.156 18091 4574 1 12 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.687 -0.207 18091 4575 1 12 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.456 -0.256 18091 4576 1 12 . 1 1 56 56 LYS H H 574 7.800 7.800 7.841 -0.041 18091 4577 1 12 . 1 1 57 57 LYS N N 575 119.120 119.120 119.138 -0.018 18091 4578 1 12 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.010 -0.100 18091 4579 1 12 . 1 1 57 57 LYS C C 575 178.520 178.520 179.163 -0.643 18091 4580 1 12 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.480 0.470 18091 4581 1 12 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.431 0.629 18091 4582 1 12 . 1 1 57 57 LYS H H 575 7.170 7.170 7.310 -0.140 18091 4583 1 12 . 1 1 58 58 ILE N N 576 119.180 119.180 119.202 -0.022 18091 4584 1 12 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.759 -0.439 18091 4585 1 12 . 1 1 58 58 ILE C C 576 177.820 177.820 178.531 -0.711 18091 4586 1 12 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.156 0.374 18091 4587 1 12 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.060 -0.810 18091 4588 1 12 . 1 1 58 58 ILE H H 576 8.300 8.300 8.558 -0.258 18091 4589 1 12 . 1 1 59 59 GLN N N 577 118.000 118.000 118.327 -0.327 18091 4590 1 12 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.783 -0.113 18091 4591 1 12 . 1 1 59 59 GLN C C 577 179.250 179.250 178.321 0.929 18091 4592 1 12 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.409 -0.289 18091 4593 1 12 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.255 -0.415 18091 4594 1 12 . 1 1 59 59 GLN H H 577 8.180 8.180 7.781 0.399 18091 4595 1 12 . 1 1 60 60 THR N N 578 118.670 118.670 117.404 1.266 18091 4596 1 12 . 1 1 60 60 THR HA H 578 3.760 3.760 3.899 -0.139 18091 4597 1 12 . 1 1 60 60 THR C C 578 176.060 176.060 176.415 -0.355 18091 4598 1 12 . 1 1 60 60 THR CA C 578 66.890 66.890 67.545 -0.655 18091 4599 1 12 . 1 1 60 60 THR CB C 578 68.030 68.030 68.460 -0.430 18091 4600 1 12 . 1 1 60 60 THR H H 578 7.780 7.780 7.589 0.191 18091 4601 1 12 . 1 1 61 61 LEU N N 579 120.680 120.680 120.493 0.187 18091 4602 1 12 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.978 -0.128 18091 4603 1 12 . 1 1 61 61 LEU C C 579 179.590 179.590 178.428 1.162 18091 4604 1 12 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.712 -0.062 18091 4605 1 12 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.388 -0.408 18091 4606 1 12 . 1 1 61 61 LEU H H 579 7.620 7.620 7.349 0.271 18091 4607 1 12 . 1 1 62 62 ILE N N 580 122.880 122.880 120.089 2.791 18091 4608 1 12 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.633 0.397 18091 4609 1 12 . 1 1 62 62 ILE C C 580 180.260 180.260 178.688 1.572 18091 4610 1 12 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.234 -0.504 18091 4611 1 12 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.561 0.749 18091 4612 1 12 . 1 1 62 62 ILE H H 580 8.540 8.540 7.458 1.082 18091 4613 1 12 . 1 1 63 63 ALA N N 581 124.510 124.510 122.898 1.612 18091 4614 1 12 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.048 -0.078 18091 4615 1 12 . 1 1 63 63 ALA C C 581 179.000 179.000 178.473 0.527 18091 4616 1 12 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.516 0.325 18091 4617 1 12 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.254 -0.754 18091 4618 1 12 . 1 1 63 63 ALA H H 581 8.120 8.120 8.087 0.033 18091 4619 1 12 . 1 1 64 64 ALA N N 582 116.250 116.250 118.669 -2.419 18091 4620 1 12 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.268 -0.128 18091 4621 1 12 . 1 1 64 64 ALA C C 582 177.040 177.040 177.659 -0.619 18091 4622 1 12 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.899 0.281 18091 4623 1 12 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.176 0.684 18091 4624 1 12 . 1 1 64 64 ALA H H 582 7.470 7.470 7.374 0.096 18091 4625 1 12 . 1 1 65 65 GLY N N 583 104.540 104.540 106.522 -1.982 18091 4626 1 12 . 1 1 65 65 GLY C C 583 174.180 174.180 174.955 -0.775 18091 4627 1 12 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.876 -1.086 18091 4628 1 12 . 1 1 65 65 GLY H H 583 7.600 7.600 7.709 -0.109 18091 4629 1 12 . 1 1 66 66 ILE N N 584 118.630 118.630 117.595 1.035 18091 4630 1 12 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.806 -0.046 18091 4631 1 12 . 1 1 66 66 ILE C C 584 175.660 175.660 175.426 0.234 18091 4632 1 12 . 1 1 66 66 ILE CA C 584 61.550 61.550 61.893 -0.343 18091 4633 1 12 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.569 -0.959 18091 4634 1 12 . 1 1 66 66 ILE H H 584 7.590 7.590 7.718 -0.128 18091 4635 1 12 . 1 1 67 67 ILE N N 585 116.360 116.360 118.437 -2.077 18091 4636 1 12 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.312 -0.142 18091 4637 1 12 . 1 1 67 67 ILE C C 585 174.370 174.370 173.767 0.603 18091 4638 1 12 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.084 -0.604 18091 4639 1 12 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.152 -1.522 18091 4640 1 12 . 1 1 67 67 ILE H H 585 6.490 6.490 7.331 -0.841 18091 4641 1 12 . 1 1 68 68 ARG N N 586 125.450 125.450 121.619 3.831 18091 4642 1 12 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.689 -0.309 18091 4643 1 12 . 1 1 68 68 ARG C C 586 175.720 175.720 176.152 -0.432 18091 4644 1 12 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.936 -1.016 18091 4645 1 12 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.870 -0.550 18091 4646 1 12 . 1 1 68 68 ARG H H 586 8.500 8.500 8.533 -0.033 18091 4647 1 12 . 1 1 69 69 THR N N 587 113.710 113.710 115.136 -1.426 18091 4648 1 12 . 1 1 69 69 THR HA H 587 4.300 4.300 4.388 -0.088 18091 4649 1 12 . 1 1 69 69 THR C C 587 174.760 174.760 175.611 -0.851 18091 4650 1 12 . 1 1 69 69 THR CA C 587 61.300 61.300 61.945 -0.645 18091 4651 1 12 . 1 1 69 69 THR CB C 587 69.720 69.720 69.275 0.445 18091 4652 1 12 . 1 1 69 69 THR H H 587 8.250 8.250 8.760 -0.510 18091 4653 1 12 . 1 1 70 70 GLY N N 588 110.720 110.720 113.205 -2.485 18091 4654 1 12 . 1 1 70 70 GLY C C 588 172.820 172.820 174.357 -1.537 18091 4655 1 12 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.227 -0.067 18091 4656 1 12 . 1 1 70 70 GLY H H 588 8.230 8.230 8.388 -0.158 18091 4657 1 13 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.425 -0.195 18091 4658 1 13 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.468 -0.218 18091 4659 1 13 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.434 -0.474 18091 4660 1 13 . 1 1 3 3 GLY N N 521 109.400 109.400 107.311 2.089 18091 4661 1 13 . 1 1 3 3 GLY C C 521 174.300 174.300 173.920 0.380 18091 4662 1 13 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.164 0.015 18091 4663 1 13 . 1 1 3 3 GLY H H 521 8.490 8.490 7.983 0.507 18091 4664 1 13 . 1 1 4 4 THR N N 522 112.480 112.480 111.798 0.682 18091 4665 1 13 . 1 1 4 4 THR HA H 522 4.300 4.300 4.320 -0.020 18091 4666 1 13 . 1 1 4 4 THR C C 522 174.690 174.690 175.338 -0.648 18091 4667 1 13 . 1 1 4 4 THR CA C 522 61.240 61.240 62.332 -1.092 18091 4668 1 13 . 1 1 4 4 THR CB C 522 69.960 69.960 69.326 0.634 18091 4669 1 13 . 1 1 4 4 THR H H 522 7.860 7.860 8.092 -0.232 18091 4670 1 13 . 1 1 5 5 SER N N 523 117.450 117.450 117.286 0.164 18091 4671 1 13 . 1 1 5 5 SER HA H 523 3.890 3.890 4.574 -0.684 18091 4672 1 13 . 1 1 5 5 SER C C 523 173.320 173.320 175.059 -1.739 18091 4673 1 13 . 1 1 5 5 SER CA C 523 58.460 58.460 57.455 1.005 18091 4674 1 13 . 1 1 5 5 SER CB C 523 63.690 63.690 65.613 -1.923 18091 4675 1 13 . 1 1 5 5 SER H H 523 8.300 8.300 7.743 0.557 18091 4676 1 13 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.536 -0.186 18091 4677 1 13 . 1 1 6 6 ASN C C 524 174.670 174.670 175.579 -0.909 18091 4678 1 13 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.452 -1.392 18091 4679 1 13 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.032 -0.323 18091 4680 1 13 . 1 1 7 7 GLU N N 525 120.970 120.970 120.401 0.569 18091 4681 1 13 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.362 -0.022 18091 4682 1 13 . 1 1 7 7 GLU C C 525 176.900 176.900 176.237 0.663 18091 4683 1 13 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.576 0.464 18091 4684 1 13 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.450 0.620 18091 4685 1 13 . 1 1 7 7 GLU H H 525 7.970 7.970 8.099 -0.129 18091 4686 1 13 . 1 1 8 8 THR N N 526 116.960 116.960 118.238 -1.278 18091 4687 1 13 . 1 1 8 8 THR HA H 526 4.540 4.540 4.652 -0.112 18091 4688 1 13 . 1 1 8 8 THR C C 526 173.410 173.410 173.861 -0.451 18091 4689 1 13 . 1 1 8 8 THR CA C 526 60.080 60.080 60.167 -0.087 18091 4690 1 13 . 1 1 8 8 THR CB C 526 68.500 68.500 68.728 -0.228 18091 4691 1 13 . 1 1 8 8 THR H H 526 8.630 8.630 8.604 0.026 18091 4692 1 13 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.434 -0.244 18091 4693 1 13 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.543 0.567 18091 4694 1 13 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.983 -0.403 18091 4695 1 13 . 1 1 10 10 GLU N N 528 118.610 118.610 117.145 1.465 18091 4696 1 13 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.855 0.125 18091 4697 1 13 . 1 1 10 10 GLU C C 528 178.550 178.550 178.593 -0.043 18091 4698 1 13 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.866 -0.286 18091 4699 1 13 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.631 0.358 18091 4700 1 13 . 1 1 10 10 GLU H H 528 8.550 8.550 8.630 -0.080 18091 4701 1 13 . 1 1 11 11 GLU N N 529 121.090 121.090 119.561 1.529 18091 4702 1 13 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.107 -0.177 18091 4703 1 13 . 1 1 11 11 GLU C C 529 179.470 179.470 178.747 0.723 18091 4704 1 13 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.400 -0.450 18091 4705 1 13 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.593 -0.113 18091 4706 1 13 . 1 1 11 11 GLU H H 529 7.870 7.870 7.724 0.146 18091 4707 1 13 . 1 1 12 12 THR N N 530 118.050 118.050 116.615 1.435 18091 4708 1 13 . 1 1 12 12 THR HA H 530 3.750 3.750 4.059 -0.309 18091 4709 1 13 . 1 1 12 12 THR C C 530 175.770 175.770 176.713 -0.943 18091 4710 1 13 . 1 1 12 12 THR CA C 530 66.320 66.320 67.447 -1.127 18091 4711 1 13 . 1 1 12 12 THR CB C 530 68.430 68.430 68.867 -0.437 18091 4712 1 13 . 1 1 12 12 THR H H 530 8.390 8.390 7.654 0.736 18091 4713 1 13 . 1 1 13 13 TYR N N 531 122.280 122.280 120.915 1.365 18091 4714 1 13 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.071 -0.251 18091 4715 1 13 . 1 1 13 13 TYR C C 531 176.420 176.420 178.226 -1.806 18091 4716 1 13 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.860 -0.420 18091 4717 1 13 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.472 0.638 18091 4718 1 13 . 1 1 13 13 TYR H H 531 8.050 8.050 8.103 -0.053 18091 4719 1 13 . 1 1 14 14 GLN N N 532 116.250 116.250 118.113 -1.863 18091 4720 1 13 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.942 -0.252 18091 4721 1 13 . 1 1 14 14 GLN C C 532 178.800 178.800 178.597 0.203 18091 4722 1 13 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.247 -0.627 18091 4723 1 13 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.475 -0.415 18091 4724 1 13 . 1 1 14 14 GLN H H 532 8.010 8.010 7.941 0.069 18091 4725 1 13 . 1 1 15 15 ARG N N 533 118.730 118.730 119.394 -0.664 18091 4726 1 13 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.021 -0.101 18091 4727 1 13 . 1 1 15 15 ARG C C 533 179.030 179.030 179.021 0.009 18091 4728 1 13 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.092 0.048 18091 4729 1 13 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.088 -0.288 18091 4730 1 13 . 1 1 15 15 ARG H H 533 7.800 7.800 7.848 -0.048 18091 4731 1 13 . 1 1 16 16 ALA N N 534 123.500 123.500 121.869 1.631 18091 4732 1 13 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.010 -0.050 18091 4733 1 13 . 1 1 16 16 ALA C C 534 178.860 178.860 179.503 -0.643 18091 4734 1 13 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.628 0.042 18091 4735 1 13 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.358 0.372 18091 4736 1 13 . 1 1 16 16 ALA H H 534 8.210 8.210 8.040 0.170 18091 4737 1 13 . 1 1 17 17 MET N N 535 111.910 111.910 116.351 -4.441 18091 4738 1 13 . 1 1 17 17 MET HA H 535 4.020 4.020 4.153 -0.133 18091 4739 1 13 . 1 1 17 17 MET C C 535 176.890 176.890 177.309 -0.419 18091 4740 1 13 . 1 1 17 17 MET CA C 535 55.200 55.200 57.802 -2.602 18091 4741 1 13 . 1 1 17 17 MET CB C 535 31.110 31.110 32.548 -1.438 18091 4742 1 13 . 1 1 17 17 MET H H 535 7.480 7.480 7.966 -0.486 18091 4743 1 13 . 1 1 18 18 LYS N N 536 116.840 116.840 117.278 -0.438 18091 4744 1 13 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.146 -0.156 18091 4745 1 13 . 1 1 18 18 LYS C C 536 176.690 176.690 176.380 0.310 18091 4746 1 13 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.025 -0.435 18091 4747 1 13 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.463 -0.123 18091 4748 1 13 . 1 1 18 18 LYS H H 536 7.180 7.180 7.258 -0.078 18091 4749 1 13 . 1 1 19 19 ASP N N 537 122.680 122.680 121.359 1.321 18091 4750 1 13 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.882 -0.082 18091 4751 1 13 . 1 1 19 19 ASP C C 537 174.720 174.720 175.561 -0.841 18091 4752 1 13 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091 4753 1 13 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.824 0.146 18091 4754 1 13 . 1 1 19 19 ASP H H 537 7.530 7.530 7.618 -0.088 18091 4755 1 13 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.237 -0.097 18091 4756 1 13 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.801 -0.051 18091 4757 1 13 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.090 0.029 18091 4758 1 13 . 1 1 21 21 GLU N N 539 118.590 118.590 117.834 0.756 18091 4759 1 13 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.045 -0.035 18091 4760 1 13 . 1 1 21 21 GLU C C 539 179.010 179.010 178.923 0.087 18091 4761 1 13 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.165 -0.315 18091 4762 1 13 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.195 0.145 18091 4763 1 13 . 1 1 21 21 GLU H H 539 8.200 8.200 7.832 0.368 18091 4764 1 13 . 1 1 22 22 VAL N N 540 120.690 120.690 120.058 0.632 18091 4765 1 13 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.596 -0.366 18091 4766 1 13 . 1 1 22 22 VAL C C 540 177.740 177.740 177.895 -0.155 18091 4767 1 13 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.641 0.449 18091 4768 1 13 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.858 0.492 18091 4769 1 13 . 1 1 22 22 VAL H H 540 7.350 7.350 7.635 -0.284 18091 4770 1 13 . 1 1 23 23 ALA N N 541 121.460 121.460 122.370 -0.910 18091 4771 1 13 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.904 -0.134 18091 4772 1 13 . 1 1 23 23 ALA C C 541 179.660 179.660 179.081 0.579 18091 4773 1 13 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.222 0.168 18091 4774 1 13 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.018 -0.308 18091 4775 1 13 . 1 1 23 23 ALA H H 541 8.430 8.430 7.470 0.960 18091 4776 1 13 . 1 1 24 24 ALA N N 542 117.000 117.000 120.996 -3.996 18091 4777 1 13 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.028 -0.088 18091 4778 1 13 . 1 1 24 24 ALA C C 542 180.880 180.880 179.547 1.333 18091 4779 1 13 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.646 0.054 18091 4780 1 13 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.557 -0.607 18091 4781 1 13 . 1 1 24 24 ALA H H 542 7.380 7.380 7.656 -0.276 18091 4782 1 13 . 1 1 25 25 ILE N N 543 119.750 119.750 118.155 1.595 18091 4783 1 13 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.653 0.037 18091 4784 1 13 . 1 1 25 25 ILE C C 543 177.450 177.450 178.667 -1.217 18091 4785 1 13 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.888 0.072 18091 4786 1 13 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.040 0.240 18091 4787 1 13 . 1 1 25 25 ILE H H 543 7.380 7.380 7.507 -0.127 18091 4788 1 13 . 1 1 26 26 MET N N 544 113.830 113.830 118.154 -4.324 18091 4789 1 13 . 1 1 26 26 MET HA H 544 4.140 4.140 4.069 0.071 18091 4790 1 13 . 1 1 26 26 MET C C 544 177.680 177.680 177.802 -0.122 18091 4791 1 13 . 1 1 26 26 MET CA C 544 55.660 55.660 58.729 -3.069 18091 4792 1 13 . 1 1 26 26 MET CB C 544 30.690 30.690 32.634 -1.944 18091 4793 1 13 . 1 1 26 26 MET H H 544 7.870 7.870 7.793 0.077 18091 4794 1 13 . 1 1 27 27 GLN N N 545 115.210 115.210 115.530 -0.320 18091 4795 1 13 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.307 -0.227 18091 4796 1 13 . 1 1 27 27 GLN C C 545 175.170 175.170 175.588 -0.418 18091 4797 1 13 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.854 -0.414 18091 4798 1 13 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.222 -0.232 18091 4799 1 13 . 1 1 27 27 GLN H H 545 7.340 7.340 7.429 -0.089 18091 4800 1 13 . 1 1 28 28 ASP N N 546 123.270 123.270 120.043 3.227 18091 4801 1 13 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.969 -0.249 18091 4802 1 13 . 1 1 28 28 ASP C C 546 175.220 175.220 175.385 -0.165 18091 4803 1 13 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.658 0.682 18091 4804 1 13 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.355 0.025 18091 4805 1 13 . 1 1 28 28 ASP H H 546 7.320 7.320 7.649 -0.329 18091 4806 1 13 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.381 -0.261 18091 4807 1 13 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.896 1.024 18091 4808 1 13 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.642 -0.382 18091 4809 1 13 . 1 1 30 30 VAL N N 548 119.870 119.870 118.880 0.990 18091 4810 1 13 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.642 -0.062 18091 4811 1 13 . 1 1 30 30 VAL C C 548 179.010 179.010 178.169 0.841 18091 4812 1 13 . 1 1 30 30 VAL CA C 548 66.000 66.000 65.884 0.116 18091 4813 1 13 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.639 -0.528 18091 4814 1 13 . 1 1 30 30 VAL H H 548 8.000 8.000 7.826 0.174 18091 4815 1 13 . 1 1 31 31 MET N N 549 118.270 118.270 116.923 1.347 18091 4816 1 13 . 1 1 31 31 MET HA H 549 4.340 4.340 3.920 0.420 18091 4817 1 13 . 1 1 31 31 MET C C 549 178.830 178.830 178.003 0.827 18091 4818 1 13 . 1 1 31 31 MET CA C 549 55.140 55.140 59.171 -4.031 18091 4819 1 13 . 1 1 31 31 MET CB C 549 28.840 28.840 32.032 -3.192 18091 4820 1 13 . 1 1 31 31 MET H H 549 7.250 7.250 7.604 -0.354 18091 4821 1 13 . 1 1 32 32 GLN N N 550 118.190 118.190 119.387 -1.197 18091 4822 1 13 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.952 -0.212 18091 4823 1 13 . 1 1 32 32 GLN C C 550 178.840 178.840 178.254 0.586 18091 4824 1 13 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.395 0.025 18091 4825 1 13 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.447 -0.787 18091 4826 1 13 . 1 1 32 32 GLN H H 550 8.310 8.310 7.944 0.366 18091 4827 1 13 . 1 1 33 33 SER N N 551 114.010 114.010 115.260 -1.250 18091 4828 1 13 . 1 1 33 33 SER HA H 551 4.140 4.140 4.222 -0.082 18091 4829 1 13 . 1 1 33 33 SER C C 551 176.840 176.840 176.807 0.033 18091 4830 1 13 . 1 1 33 33 SER CA C 551 61.330 61.330 62.074 -0.744 18091 4831 1 13 . 1 1 33 33 SER CB C 551 62.450 62.450 62.833 -0.383 18091 4832 1 13 . 1 1 33 33 SER H H 551 7.570 7.570 7.586 -0.016 18091 4833 1 13 . 1 1 34 34 ILE N N 552 123.490 123.490 123.311 0.179 18091 4834 1 13 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.525 -0.245 18091 4835 1 13 . 1 1 34 34 ILE C C 552 177.630 177.630 177.893 -0.263 18091 4836 1 13 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.685 0.995 18091 4837 1 13 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.296 0.424 18091 4838 1 13 . 1 1 34 34 ILE H H 552 7.600 7.600 7.476 0.124 18091 4839 1 13 . 1 1 35 35 LEU N N 553 119.520 119.520 119.490 0.030 18091 4840 1 13 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.797 -0.047 18091 4841 1 13 . 1 1 35 35 LEU C C 553 179.440 179.440 179.074 0.366 18091 4842 1 13 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.126 -0.176 18091 4843 1 13 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.258 -0.558 18091 4844 1 13 . 1 1 35 35 LEU H H 553 8.330 8.330 7.690 0.640 18091 4845 1 13 . 1 1 36 36 GLN N N 554 118.590 118.590 118.356 0.234 18091 4846 1 13 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.864 0.056 18091 4847 1 13 . 1 1 36 36 GLN C C 554 178.560 178.560 178.529 0.031 18091 4848 1 13 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.234 -0.574 18091 4849 1 13 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.576 -0.516 18091 4850 1 13 . 1 1 36 36 GLN H H 554 7.800 7.800 7.803 -0.003 18091 4851 1 13 . 1 1 37 37 GLN N N 555 119.520 119.520 118.735 0.785 18091 4852 1 13 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.015 -0.085 18091 4853 1 13 . 1 1 37 37 GLN C C 555 178.400 178.400 178.593 -0.193 18091 4854 1 13 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.558 -0.028 18091 4855 1 13 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.670 0.120 18091 4856 1 13 . 1 1 37 37 GLN H H 555 7.990 7.990 8.041 -0.051 18091 4857 1 13 . 1 1 38 38 ALA N N 556 120.730 120.730 120.700 0.030 18091 4858 1 13 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.310 -0.200 18091 4859 1 13 . 1 1 38 38 ALA C C 556 178.310 178.310 179.480 -1.170 18091 4860 1 13 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.401 -0.901 18091 4861 1 13 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.345 0.025 18091 4862 1 13 . 1 1 38 38 ALA H H 556 8.310 8.310 8.200 0.110 18091 4863 1 13 . 1 1 39 39 GLN N N 557 115.600 115.600 118.727 -3.127 18091 4864 1 13 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.106 -0.146 18091 4865 1 13 . 1 1 39 39 GLN C C 557 177.260 177.260 178.334 -1.074 18091 4866 1 13 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.107 -0.187 18091 4867 1 13 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.663 -0.183 18091 4868 1 13 . 1 1 39 39 GLN H H 557 7.530 7.530 7.745 -0.215 18091 4869 1 13 . 1 1 40 40 GLN N N 558 115.310 115.310 116.458 -1.148 18091 4870 1 13 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.228 -0.048 18091 4871 1 13 . 1 1 40 40 GLN C C 558 176.030 176.030 176.132 -0.102 18091 4872 1 13 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.184 -0.634 18091 4873 1 13 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.940 -0.620 18091 4874 1 13 . 1 1 40 40 GLN H H 558 7.350 7.350 7.654 -0.304 18091 4875 1 13 . 1 1 41 41 ASN N N 559 114.850 114.850 115.988 -1.138 18091 4876 1 13 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.032 -0.083 18091 4877 1 13 . 1 1 41 41 ASN C C 559 172.420 172.420 173.485 -1.065 18091 4878 1 13 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.183 -0.753 18091 4879 1 13 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.814 -1.934 18091 4880 1 13 . 1 1 41 41 ASN H H 559 7.900 7.900 7.980 -0.080 18091 4881 1 13 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.438 -0.108 18091 4882 1 13 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.960 0.040 18091 4883 1 13 . 1 1 42 42 PRO CB C 560 31.680 31.680 31.975 -0.295 18091 4884 1 13 . 1 1 43 43 ALA N N 561 119.920 119.920 122.014 -2.094 18091 4885 1 13 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.237 -0.107 18091 4886 1 13 . 1 1 43 43 ALA C C 561 179.510 179.510 178.883 0.627 18091 4887 1 13 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.232 -0.182 18091 4888 1 13 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.029 0.021 18091 4889 1 13 . 1 1 43 43 ALA H H 561 7.850 7.850 7.990 -0.140 18091 4890 1 13 . 1 1 44 44 ALA N N 562 120.790 120.790 120.708 0.082 18091 4891 1 13 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.336 -0.316 18091 4892 1 13 . 1 1 44 44 ALA C C 562 179.570 179.570 179.053 0.517 18091 4893 1 13 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.520 -0.400 18091 4894 1 13 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.676 -0.476 18091 4895 1 13 . 1 1 44 44 ALA H H 562 7.980 7.980 7.703 0.277 18091 4896 1 13 . 1 1 45 45 LEU N N 563 116.420 116.420 116.849 -0.429 18091 4897 1 13 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.445 -0.465 18091 4898 1 13 . 1 1 45 45 LEU C C 563 178.220 178.220 178.684 -0.464 18091 4899 1 13 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.356 0.284 18091 4900 1 13 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.389 0.301 18091 4901 1 13 . 1 1 45 45 LEU H H 563 7.510 7.510 7.476 0.035 18091 4902 1 13 . 1 1 46 46 GLN N N 564 115.510 115.510 119.213 -3.703 18091 4903 1 13 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.958 -0.098 18091 4904 1 13 . 1 1 46 46 GLN C C 564 178.300 178.300 178.391 -0.091 18091 4905 1 13 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.429 -0.709 18091 4906 1 13 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.392 -0.372 18091 4907 1 13 . 1 1 46 46 GLN H H 564 7.510 7.510 7.689 -0.179 18091 4908 1 13 . 1 1 47 47 GLU N N 565 117.680 117.680 118.633 -0.953 18091 4909 1 13 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.936 -0.036 18091 4910 1 13 . 1 1 47 47 GLU C C 565 179.070 179.070 179.111 -0.041 18091 4911 1 13 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.948 -0.568 18091 4912 1 13 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.982 0.008 18091 4913 1 13 . 1 1 47 47 GLU H H 565 7.440 7.440 7.818 -0.378 18091 4914 1 13 . 1 1 48 48 HIS N N 566 118.220 118.220 119.134 -0.914 18091 4915 1 13 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.304 0.076 18091 4916 1 13 . 1 1 48 48 HIS C C 566 177.280 177.280 176.718 0.562 18091 4917 1 13 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.882 -0.022 18091 4918 1 13 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.728 1.712 18091 4919 1 13 . 1 1 48 48 HIS H H 566 7.420 7.420 7.622 -0.202 18091 4920 1 13 . 1 1 49 49 MET N N 567 115.200 115.200 117.591 -2.391 18091 4921 1 13 . 1 1 49 49 MET HA H 567 3.840 3.840 4.261 -0.421 18091 4922 1 13 . 1 1 49 49 MET C C 567 175.260 175.260 178.063 -2.803 18091 4923 1 13 . 1 1 49 49 MET CA C 567 57.840 57.840 58.540 -0.700 18091 4924 1 13 . 1 1 49 49 MET CB C 567 33.080 33.080 32.783 0.297 18091 4925 1 13 . 1 1 49 49 MET H H 567 7.710 7.710 7.868 -0.158 18091 4926 1 13 . 1 1 50 50 LYS N N 568 116.040 116.040 116.767 -0.727 18091 4927 1 13 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.001 -0.041 18091 4928 1 13 . 1 1 50 50 LYS C C 568 176.220 176.220 177.333 -1.113 18091 4929 1 13 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.671 -0.281 18091 4930 1 13 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.432 -0.212 18091 4931 1 13 . 1 1 50 50 LYS H H 568 7.140 7.140 7.548 -0.408 18091 4932 1 13 . 1 1 51 51 ASN N N 569 119.600 119.600 119.426 0.174 18091 4933 1 13 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.728 0.292 18091 4934 1 13 . 1 1 51 51 ASN C C 569 173.920 173.920 175.184 -1.264 18091 4935 1 13 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.548 -2.598 18091 4936 1 13 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.994 -0.994 18091 4937 1 13 . 1 1 51 51 ASN H H 569 7.480 7.480 7.703 -0.223 18091 4938 1 13 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.299 -0.039 18091 4939 1 13 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.888 -0.778 18091 4940 1 13 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.168 0.102 18091 4941 1 13 . 1 1 53 53 GLU N N 571 116.870 116.870 118.214 -1.344 18091 4942 1 13 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.158 -0.088 18091 4943 1 13 . 1 1 53 53 GLU C C 571 178.830 178.830 179.038 -0.208 18091 4944 1 13 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.382 -0.502 18091 4945 1 13 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.654 -0.224 18091 4946 1 13 . 1 1 53 53 GLU H H 571 7.960 7.960 8.146 -0.186 18091 4947 1 13 . 1 1 54 54 VAL N N 572 118.290 118.290 119.314 -1.024 18091 4948 1 13 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.805 -0.145 18091 4949 1 13 . 1 1 54 54 VAL C C 572 177.620 177.620 177.902 -0.282 18091 4950 1 13 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.908 -0.808 18091 4951 1 13 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.438 0.772 18091 4952 1 13 . 1 1 54 54 VAL H H 572 7.330 7.330 7.771 -0.441 18091 4953 1 13 . 1 1 55 55 PHE N N 573 121.090 121.090 122.233 -1.143 18091 4954 1 13 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.198 -0.308 18091 4955 1 13 . 1 1 55 55 PHE C C 573 176.760 176.760 177.216 -0.456 18091 4956 1 13 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.713 0.517 18091 4957 1 13 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.821 -0.201 18091 4958 1 13 . 1 1 55 55 PHE H H 573 8.700 8.700 8.905 -0.205 18091 4959 1 13 . 1 1 56 56 LYS N N 574 116.910 116.910 118.782 -1.872 18091 4960 1 13 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.720 0.070 18091 4961 1 13 . 1 1 56 56 LYS C C 574 178.980 178.980 179.001 -0.021 18091 4962 1 13 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.460 0.020 18091 4963 1 13 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.270 -0.070 18091 4964 1 13 . 1 1 56 56 LYS H H 574 7.800 7.800 7.774 0.026 18091 4965 1 13 . 1 1 57 57 LYS N N 575 119.120 119.120 119.770 -0.650 18091 4966 1 13 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.978 -0.068 18091 4967 1 13 . 1 1 57 57 LYS C C 575 178.520 178.520 179.021 -0.501 18091 4968 1 13 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.532 0.417 18091 4969 1 13 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.362 0.698 18091 4970 1 13 . 1 1 57 57 LYS H H 575 7.170 7.170 7.281 -0.111 18091 4971 1 13 . 1 1 58 58 ILE N N 576 119.180 119.180 119.002 0.178 18091 4972 1 13 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.731 -0.411 18091 4973 1 13 . 1 1 58 58 ILE C C 576 177.820 177.820 178.227 -0.407 18091 4974 1 13 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.974 0.556 18091 4975 1 13 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.931 -0.681 18091 4976 1 13 . 1 1 58 58 ILE H H 576 8.300 8.300 8.515 -0.215 18091 4977 1 13 . 1 1 59 59 GLN N N 577 118.000 118.000 118.660 -0.660 18091 4978 1 13 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.796 -0.126 18091 4979 1 13 . 1 1 59 59 GLN C C 577 179.250 179.250 178.308 0.942 18091 4980 1 13 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.511 -0.391 18091 4981 1 13 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.300 -0.460 18091 4982 1 13 . 1 1 59 59 GLN H H 577 8.180 8.180 7.807 0.373 18091 4983 1 13 . 1 1 60 60 THR N N 578 118.670 118.670 117.367 1.303 18091 4984 1 13 . 1 1 60 60 THR HA H 578 3.760 3.760 3.871 -0.111 18091 4985 1 13 . 1 1 60 60 THR C C 578 176.060 176.060 176.452 -0.392 18091 4986 1 13 . 1 1 60 60 THR CA C 578 66.890 66.890 67.534 -0.644 18091 4987 1 13 . 1 1 60 60 THR CB C 578 68.030 68.030 68.472 -0.442 18091 4988 1 13 . 1 1 60 60 THR H H 578 7.780 7.780 7.656 0.124 18091 4989 1 13 . 1 1 61 61 LEU N N 579 120.680 120.680 120.597 0.083 18091 4990 1 13 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.940 -0.090 18091 4991 1 13 . 1 1 61 61 LEU C C 579 179.590 179.590 178.498 1.092 18091 4992 1 13 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.721 -0.071 18091 4993 1 13 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.327 -0.347 18091 4994 1 13 . 1 1 61 61 LEU H H 579 7.620 7.620 7.325 0.295 18091 4995 1 13 . 1 1 62 62 ILE N N 580 122.880 122.880 120.456 2.424 18091 4996 1 13 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.874 0.156 18091 4997 1 13 . 1 1 62 62 ILE C C 580 180.260 180.260 179.104 1.156 18091 4998 1 13 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.927 -0.197 18091 4999 1 13 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.686 0.624 18091 5000 1 13 . 1 1 62 62 ILE H H 580 8.540 8.540 7.538 1.002 18091 5001 1 13 . 1 1 63 63 ALA N N 581 124.510 124.510 122.959 1.551 18091 5002 1 13 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.040 -0.070 18091 5003 1 13 . 1 1 63 63 ALA C C 581 179.000 179.000 178.741 0.259 18091 5004 1 13 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091 5005 1 13 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.332 -0.832 18091 5006 1 13 . 1 1 63 63 ALA H H 581 8.120 8.120 8.025 0.095 18091 5007 1 13 . 1 1 64 64 ALA N N 582 116.250 116.250 118.398 -2.148 18091 5008 1 13 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.249 -0.109 18091 5009 1 13 . 1 1 64 64 ALA C C 582 177.040 177.040 177.627 -0.587 18091 5010 1 13 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.750 0.430 18091 5011 1 13 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.888 0.972 18091 5012 1 13 . 1 1 64 64 ALA H H 582 7.470 7.470 7.499 -0.029 18091 5013 1 13 . 1 1 65 65 GLY N N 583 104.540 104.540 106.120 -1.580 18091 5014 1 13 . 1 1 65 65 GLY C C 583 174.180 174.180 175.124 -0.944 18091 5015 1 13 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.888 -1.098 18091 5016 1 13 . 1 1 65 65 GLY H H 583 7.600 7.600 7.610 -0.010 18091 5017 1 13 . 1 1 66 66 ILE N N 584 118.630 118.630 118.192 0.438 18091 5018 1 13 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.771 -0.011 18091 5019 1 13 . 1 1 66 66 ILE C C 584 175.660 175.660 174.947 0.713 18091 5020 1 13 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.716 -1.166 18091 5021 1 13 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.337 -0.727 18091 5022 1 13 . 1 1 66 66 ILE H H 584 7.590 7.590 7.740 -0.150 18091 5023 1 13 . 1 1 67 67 ILE N N 585 116.360 116.360 117.692 -1.332 18091 5024 1 13 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.391 -0.221 18091 5025 1 13 . 1 1 67 67 ILE C C 585 174.370 174.370 175.016 -0.646 18091 5026 1 13 . 1 1 67 67 ILE CA C 585 59.480 59.480 59.894 -0.414 18091 5027 1 13 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.032 -1.401 18091 5028 1 13 . 1 1 67 67 ILE H H 585 6.490 6.490 7.224 -0.734 18091 5029 1 13 . 1 1 68 68 ARG N N 586 125.450 125.450 127.609 -2.159 18091 5030 1 13 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.517 -0.137 18091 5031 1 13 . 1 1 68 68 ARG C C 586 175.720 175.720 176.630 -0.910 18091 5032 1 13 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.820 -0.900 18091 5033 1 13 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.447 2.873 18091 5034 1 13 . 1 1 68 68 ARG H H 586 8.500 8.500 8.828 -0.328 18091 5035 1 13 . 1 1 69 69 THR N N 587 113.710 113.710 114.310 -0.600 18091 5036 1 13 . 1 1 69 69 THR HA H 587 4.300 4.300 3.815 0.485 18091 5037 1 13 . 1 1 69 69 THR C C 587 174.760 174.760 174.680 0.080 18091 5038 1 13 . 1 1 69 69 THR CA C 587 61.300 61.300 63.782 -2.482 18091 5039 1 13 . 1 1 69 69 THR CB C 587 69.720 69.720 68.047 1.673 18091 5040 1 13 . 1 1 69 69 THR H H 587 8.250 8.250 8.322 -0.072 18091 5041 1 13 . 1 1 70 70 GLY N N 588 110.720 110.720 110.686 0.034 18091 5042 1 13 . 1 1 70 70 GLY C C 588 172.820 172.820 172.330 0.490 18091 5043 1 13 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.170 -0.010 18091 5044 1 13 . 1 1 70 70 GLY H H 588 8.230 8.230 8.186 0.044 18091 5045 1 14 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.601 -0.371 18091 5046 1 14 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.967 0.283 18091 5047 1 14 . 1 1 2 2 PRO CB C 520 31.960 31.960 33.068 -1.108 18091 5048 1 14 . 1 1 3 3 GLY N N 521 109.400 109.400 110.579 -1.179 18091 5049 1 14 . 1 1 3 3 GLY C C 521 174.300 174.300 174.793 -0.493 18091 5050 1 14 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.578 -0.398 18091 5051 1 14 . 1 1 3 3 GLY H H 521 8.490 8.490 8.940 -0.450 18091 5052 1 14 . 1 1 4 4 THR N N 522 112.480 112.480 113.050 -0.570 18091 5053 1 14 . 1 1 4 4 THR HA H 522 4.300 4.300 4.499 -0.199 18091 5054 1 14 . 1 1 4 4 THR C C 522 174.690 174.690 174.150 0.540 18091 5055 1 14 . 1 1 4 4 THR CA C 522 61.240 61.240 61.541 -0.301 18091 5056 1 14 . 1 1 4 4 THR CB C 522 69.960 69.960 70.512 -0.552 18091 5057 1 14 . 1 1 4 4 THR H H 522 7.860 7.860 7.794 0.066 18091 5058 1 14 . 1 1 5 5 SER N N 523 117.450 117.450 116.276 1.174 18091 5059 1 14 . 1 1 5 5 SER HA H 523 3.890 3.890 4.521 -0.631 18091 5060 1 14 . 1 1 5 5 SER C C 523 173.320 173.320 175.420 -2.100 18091 5061 1 14 . 1 1 5 5 SER CA C 523 58.460 58.460 57.943 0.517 18091 5062 1 14 . 1 1 5 5 SER CB C 523 63.690 63.690 64.343 -0.653 18091 5063 1 14 . 1 1 5 5 SER H H 523 8.300 8.300 8.387 -0.087 18091 5064 1 14 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.662 -0.312 18091 5065 1 14 . 1 1 6 6 ASN C C 524 174.670 174.670 175.930 -1.260 18091 5066 1 14 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.674 -1.614 18091 5067 1 14 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.847 -0.137 18091 5068 1 14 . 1 1 7 7 GLU N N 525 120.970 120.970 118.417 2.553 18091 5069 1 14 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.548 -0.208 18091 5070 1 14 . 1 1 7 7 GLU C C 525 176.900 176.900 175.086 1.814 18091 5071 1 14 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.328 -0.288 18091 5072 1 14 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.928 -0.858 18091 5073 1 14 . 1 1 7 7 GLU H H 525 7.970 7.970 8.461 -0.491 18091 5074 1 14 . 1 1 8 8 THR N N 526 116.960 116.960 114.575 2.385 18091 5075 1 14 . 1 1 8 8 THR HA H 526 4.540 4.540 4.804 -0.264 18091 5076 1 14 . 1 1 8 8 THR C C 526 173.410 173.410 173.503 -0.093 18091 5077 1 14 . 1 1 8 8 THR CA C 526 60.080 60.080 58.296 1.784 18091 5078 1 14 . 1 1 8 8 THR CB C 526 68.500 68.500 69.210 -0.710 18091 5079 1 14 . 1 1 8 8 THR H H 526 8.630 8.630 8.165 0.465 18091 5080 1 14 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.296 -0.106 18091 5081 1 14 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.554 0.556 18091 5082 1 14 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.019 -0.439 18091 5083 1 14 . 1 1 10 10 GLU N N 528 118.610 118.610 117.472 1.138 18091 5084 1 14 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.921 0.059 18091 5085 1 14 . 1 1 10 10 GLU C C 528 178.550 178.550 178.564 -0.014 18091 5086 1 14 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.607 -0.027 18091 5087 1 14 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.262 -0.272 18091 5088 1 14 . 1 1 10 10 GLU H H 528 8.550 8.550 8.852 -0.302 18091 5089 1 14 . 1 1 11 11 GLU N N 529 121.090 121.090 119.266 1.824 18091 5090 1 14 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.100 -0.170 18091 5091 1 14 . 1 1 11 11 GLU C C 529 179.470 179.470 178.852 0.618 18091 5092 1 14 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.375 -0.425 18091 5093 1 14 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.670 -0.190 18091 5094 1 14 . 1 1 11 11 GLU H H 529 7.870 7.870 7.804 0.066 18091 5095 1 14 . 1 1 12 12 THR N N 530 118.050 118.050 117.200 0.850 18091 5096 1 14 . 1 1 12 12 THR HA H 530 3.750 3.750 4.009 -0.259 18091 5097 1 14 . 1 1 12 12 THR C C 530 175.770 175.770 176.626 -0.856 18091 5098 1 14 . 1 1 12 12 THR CA C 530 66.320 66.320 67.311 -0.991 18091 5099 1 14 . 1 1 12 12 THR CB C 530 68.430 68.430 68.973 -0.543 18091 5100 1 14 . 1 1 12 12 THR H H 530 8.390 8.390 7.532 0.858 18091 5101 1 14 . 1 1 13 13 TYR N N 531 122.280 122.280 120.587 1.693 18091 5102 1 14 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.073 -0.253 18091 5103 1 14 . 1 1 13 13 TYR C C 531 176.420 176.420 178.099 -1.679 18091 5104 1 14 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.623 -0.183 18091 5105 1 14 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.575 0.535 18091 5106 1 14 . 1 1 13 13 TYR H H 531 8.050 8.050 8.094 -0.044 18091 5107 1 14 . 1 1 14 14 GLN N N 532 116.250 116.250 118.076 -1.826 18091 5108 1 14 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.919 -0.229 18091 5109 1 14 . 1 1 14 14 GLN C C 532 178.800 178.800 178.381 0.419 18091 5110 1 14 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.038 -0.418 18091 5111 1 14 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.518 -0.458 18091 5112 1 14 . 1 1 14 14 GLN H H 532 8.010 8.010 7.896 0.114 18091 5113 1 14 . 1 1 15 15 ARG N N 533 118.730 118.730 119.709 -0.979 18091 5114 1 14 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.017 -0.097 18091 5115 1 14 . 1 1 15 15 ARG C C 533 179.030 179.030 178.965 0.065 18091 5116 1 14 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.133 0.007 18091 5117 1 14 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.244 -0.444 18091 5118 1 14 . 1 1 15 15 ARG H H 533 7.800 7.800 7.853 -0.053 18091 5119 1 14 . 1 1 16 16 ALA N N 534 123.500 123.500 121.856 1.644 18091 5120 1 14 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.086 -0.126 18091 5121 1 14 . 1 1 16 16 ALA C C 534 178.860 178.860 179.928 -1.068 18091 5122 1 14 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.713 -0.043 18091 5123 1 14 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.194 0.536 18091 5124 1 14 . 1 1 16 16 ALA H H 534 8.210 8.210 7.963 0.247 18091 5125 1 14 . 1 1 17 17 MET N N 535 111.910 111.910 116.478 -4.568 18091 5126 1 14 . 1 1 17 17 MET HA H 535 4.020 4.020 4.201 -0.181 18091 5127 1 14 . 1 1 17 17 MET C C 535 176.890 176.890 177.273 -0.383 18091 5128 1 14 . 1 1 17 17 MET CA C 535 55.200 55.200 57.411 -2.211 18091 5129 1 14 . 1 1 17 17 MET CB C 535 31.110 31.110 32.594 -1.484 18091 5130 1 14 . 1 1 17 17 MET H H 535 7.480 7.480 7.952 -0.472 18091 5131 1 14 . 1 1 18 18 LYS N N 536 116.840 116.840 117.484 -0.644 18091 5132 1 14 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.173 -0.183 18091 5133 1 14 . 1 1 18 18 LYS C C 536 176.690 176.690 176.354 0.336 18091 5134 1 14 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.898 -0.308 18091 5135 1 14 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.462 -0.122 18091 5136 1 14 . 1 1 18 18 LYS H H 536 7.180 7.180 7.306 -0.126 18091 5137 1 14 . 1 1 19 19 ASP N N 537 122.680 122.680 121.306 1.374 18091 5138 1 14 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.905 -0.105 18091 5139 1 14 . 1 1 19 19 ASP C C 537 174.720 174.720 175.261 -0.541 18091 5140 1 14 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.132 -0.042 18091 5141 1 14 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.374 0.596 18091 5142 1 14 . 1 1 19 19 ASP H H 537 7.530 7.530 7.638 -0.108 18091 5143 1 14 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.231 -0.091 18091 5144 1 14 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.031 -0.281 18091 5145 1 14 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.070 0.050 18091 5146 1 14 . 1 1 21 21 GLU N N 539 118.590 118.590 117.702 0.888 18091 5147 1 14 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.071 -0.061 18091 5148 1 14 . 1 1 21 21 GLU C C 539 179.010 179.010 178.913 0.097 18091 5149 1 14 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.167 -0.317 18091 5150 1 14 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.160 0.180 18091 5151 1 14 . 1 1 21 21 GLU H H 539 8.200 8.200 8.344 -0.144 18091 5152 1 14 . 1 1 22 22 VAL N N 540 120.690 120.690 120.530 0.160 18091 5153 1 14 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.513 -0.283 18091 5154 1 14 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091 5155 1 14 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.233 -0.143 18091 5156 1 14 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.515 -0.165 18091 5157 1 14 . 1 1 22 22 VAL H H 540 7.350 7.350 7.591 -0.241 18091 5158 1 14 . 1 1 23 23 ALA N N 541 121.460 121.460 121.964 -0.504 18091 5159 1 14 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.931 -0.161 18091 5160 1 14 . 1 1 23 23 ALA C C 541 179.660 179.660 179.059 0.601 18091 5161 1 14 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.080 0.310 18091 5162 1 14 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.116 -0.406 18091 5163 1 14 . 1 1 23 23 ALA H H 541 8.430 8.430 7.632 0.798 18091 5164 1 14 . 1 1 24 24 ALA N N 542 117.000 117.000 121.141 -4.141 18091 5165 1 14 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.112 -0.172 18091 5166 1 14 . 1 1 24 24 ALA C C 542 180.880 180.880 179.123 1.757 18091 5167 1 14 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.630 0.070 18091 5168 1 14 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.282 -0.332 18091 5169 1 14 . 1 1 24 24 ALA H H 542 7.380 7.380 7.587 -0.207 18091 5170 1 14 . 1 1 25 25 ILE N N 543 119.750 119.750 118.162 1.588 18091 5171 1 14 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.772 -0.082 18091 5172 1 14 . 1 1 25 25 ILE C C 543 177.450 177.450 178.503 -1.053 18091 5173 1 14 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.413 0.547 18091 5174 1 14 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.197 0.083 18091 5175 1 14 . 1 1 25 25 ILE H H 543 7.380 7.380 7.418 -0.038 18091 5176 1 14 . 1 1 26 26 MET N N 544 113.830 113.830 117.484 -3.654 18091 5177 1 14 . 1 1 26 26 MET HA H 544 4.140 4.140 4.095 0.045 18091 5178 1 14 . 1 1 26 26 MET C C 544 177.680 177.680 177.893 -0.213 18091 5179 1 14 . 1 1 26 26 MET CA C 544 55.660 55.660 58.606 -2.946 18091 5180 1 14 . 1 1 26 26 MET CB C 544 30.690 30.690 32.633 -1.943 18091 5181 1 14 . 1 1 26 26 MET H H 544 7.870 7.870 7.686 0.184 18091 5182 1 14 . 1 1 27 27 GLN N N 545 115.210 115.210 115.677 -0.467 18091 5183 1 14 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.317 -0.237 18091 5184 1 14 . 1 1 27 27 GLN C C 545 175.170 175.170 175.559 -0.389 18091 5185 1 14 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.045 -0.605 18091 5186 1 14 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.414 -0.424 18091 5187 1 14 . 1 1 27 27 GLN H H 545 7.340 7.340 7.433 -0.093 18091 5188 1 14 . 1 1 28 28 ASP N N 546 123.270 123.270 119.212 4.058 18091 5189 1 14 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.018 -0.298 18091 5190 1 14 . 1 1 28 28 ASP C C 546 175.220 175.220 174.946 0.274 18091 5191 1 14 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.651 0.689 18091 5192 1 14 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.949 -0.569 18091 5193 1 14 . 1 1 28 28 ASP H H 546 7.320 7.320 7.872 -0.552 18091 5194 1 14 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.344 -0.224 18091 5195 1 14 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.990 0.930 18091 5196 1 14 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.534 -0.274 18091 5197 1 14 . 1 1 30 30 VAL N N 548 119.870 119.870 119.518 0.352 18091 5198 1 14 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.671 -0.091 18091 5199 1 14 . 1 1 30 30 VAL C C 548 179.010 179.010 177.638 1.372 18091 5200 1 14 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.917 -0.917 18091 5201 1 14 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.074 0.036 18091 5202 1 14 . 1 1 30 30 VAL H H 548 8.000 8.000 7.898 0.102 18091 5203 1 14 . 1 1 31 31 MET N N 549 118.270 118.270 117.127 1.143 18091 5204 1 14 . 1 1 31 31 MET HA H 549 4.340 4.340 3.991 0.349 18091 5205 1 14 . 1 1 31 31 MET C C 549 178.830 178.830 178.122 0.708 18091 5206 1 14 . 1 1 31 31 MET CA C 549 55.140 55.140 58.798 -3.658 18091 5207 1 14 . 1 1 31 31 MET CB C 549 28.840 28.840 32.050 -3.210 18091 5208 1 14 . 1 1 31 31 MET H H 549 7.250 7.250 7.864 -0.614 18091 5209 1 14 . 1 1 32 32 GLN N N 550 118.190 118.190 119.963 -1.773 18091 5210 1 14 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.934 -0.194 18091 5211 1 14 . 1 1 32 32 GLN C C 550 178.840 178.840 178.269 0.571 18091 5212 1 14 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.338 0.082 18091 5213 1 14 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.520 -0.860 18091 5214 1 14 . 1 1 32 32 GLN H H 550 8.310 8.310 8.399 -0.089 18091 5215 1 14 . 1 1 33 33 SER N N 551 114.010 114.010 115.463 -1.453 18091 5216 1 14 . 1 1 33 33 SER HA H 551 4.140 4.140 4.392 -0.252 18091 5217 1 14 . 1 1 33 33 SER C C 551 176.840 176.840 176.862 -0.022 18091 5218 1 14 . 1 1 33 33 SER CA C 551 61.330 61.330 62.314 -0.984 18091 5219 1 14 . 1 1 33 33 SER CB C 551 62.450 62.450 63.108 -0.658 18091 5220 1 14 . 1 1 33 33 SER H H 551 7.570 7.570 7.686 -0.116 18091 5221 1 14 . 1 1 34 34 ILE N N 552 123.490 123.490 122.193 1.297 18091 5222 1 14 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.493 -0.213 18091 5223 1 14 . 1 1 34 34 ILE C C 552 177.630 177.630 177.639 -0.009 18091 5224 1 14 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.993 0.687 18091 5225 1 14 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.353 0.367 18091 5226 1 14 . 1 1 34 34 ILE H H 552 7.600 7.600 7.469 0.131 18091 5227 1 14 . 1 1 35 35 LEU N N 553 119.520 119.520 119.460 0.060 18091 5228 1 14 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.798 -0.048 18091 5229 1 14 . 1 1 35 35 LEU C C 553 179.440 179.440 179.212 0.228 18091 5230 1 14 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.035 -0.085 18091 5231 1 14 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.253 -0.553 18091 5232 1 14 . 1 1 35 35 LEU H H 553 8.330 8.330 7.740 0.590 18091 5233 1 14 . 1 1 36 36 GLN N N 554 118.590 118.590 117.848 0.742 18091 5234 1 14 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.876 0.044 18091 5235 1 14 . 1 1 36 36 GLN C C 554 178.560 178.560 178.793 -0.233 18091 5236 1 14 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.196 -0.536 18091 5237 1 14 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.430 -0.371 18091 5238 1 14 . 1 1 36 36 GLN H H 554 7.800 7.800 7.818 -0.018 18091 5239 1 14 . 1 1 37 37 GLN N N 555 119.520 119.520 118.923 0.597 18091 5240 1 14 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.013 -0.083 18091 5241 1 14 . 1 1 37 37 GLN C C 555 178.400 178.400 178.497 -0.097 18091 5242 1 14 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.630 -0.100 18091 5243 1 14 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.575 0.215 18091 5244 1 14 . 1 1 37 37 GLN H H 555 7.990 7.990 8.074 -0.084 18091 5245 1 14 . 1 1 38 38 ALA N N 556 120.730 120.730 121.444 -0.714 18091 5246 1 14 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.351 -0.241 18091 5247 1 14 . 1 1 38 38 ALA C C 556 178.310 178.310 179.393 -1.083 18091 5248 1 14 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.697 -1.197 18091 5249 1 14 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.316 0.054 18091 5250 1 14 . 1 1 38 38 ALA H H 556 8.310 8.310 8.076 0.234 18091 5251 1 14 . 1 1 39 39 GLN N N 557 115.600 115.600 117.925 -2.325 18091 5252 1 14 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.045 -0.085 18091 5253 1 14 . 1 1 39 39 GLN C C 557 177.260 177.260 178.564 -1.304 18091 5254 1 14 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.385 -0.465 18091 5255 1 14 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.575 -0.095 18091 5256 1 14 . 1 1 39 39 GLN H H 557 7.530 7.530 7.756 -0.226 18091 5257 1 14 . 1 1 40 40 GLN N N 558 115.310 115.310 116.893 -1.583 18091 5258 1 14 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.149 0.031 18091 5259 1 14 . 1 1 40 40 GLN C C 558 176.030 176.030 176.507 -0.477 18091 5260 1 14 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.583 -1.033 18091 5261 1 14 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.814 -0.494 18091 5262 1 14 . 1 1 40 40 GLN H H 558 7.350 7.350 7.643 -0.293 18091 5263 1 14 . 1 1 41 41 ASN N N 559 114.850 114.850 115.033 -0.183 18091 5264 1 14 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.084 -0.134 18091 5265 1 14 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091 5266 1 14 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.620 -1.190 18091 5267 1 14 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.175 -2.295 18091 5268 1 14 . 1 1 41 41 ASN H H 559 7.900 7.900 8.077 -0.177 18091 5269 1 14 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.580 -0.250 18091 5270 1 14 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.789 0.211 18091 5271 1 14 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.227 -0.547 18091 5272 1 14 . 1 1 43 43 ALA N N 561 119.920 119.920 120.795 -0.875 18091 5273 1 14 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.100 0.030 18091 5274 1 14 . 1 1 43 43 ALA C C 561 179.510 179.510 178.692 0.818 18091 5275 1 14 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.275 -0.225 18091 5276 1 14 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.225 -0.175 18091 5277 1 14 . 1 1 43 43 ALA H H 561 7.850 7.850 7.640 0.210 18091 5278 1 14 . 1 1 44 44 ALA N N 562 120.790 120.790 121.921 -1.131 18091 5279 1 14 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.111 -0.091 18091 5280 1 14 . 1 1 44 44 ALA C C 562 179.570 179.570 179.837 -0.267 18091 5281 1 14 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.395 -1.275 18091 5282 1 14 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.637 -0.437 18091 5283 1 14 . 1 1 44 44 ALA H H 562 7.980 7.980 7.750 0.230 18091 5284 1 14 . 1 1 45 45 LEU N N 563 116.420 116.420 117.151 -0.731 18091 5285 1 14 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.364 -0.384 18091 5286 1 14 . 1 1 45 45 LEU C C 563 178.220 178.220 178.602 -0.382 18091 5287 1 14 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.683 0.957 18091 5288 1 14 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.428 1.262 18091 5289 1 14 . 1 1 45 45 LEU H H 563 7.510 7.510 7.812 -0.302 18091 5290 1 14 . 1 1 46 46 GLN N N 564 115.510 115.510 120.695 -5.185 18091 5291 1 14 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.931 -0.071 18091 5292 1 14 . 1 1 46 46 GLN C C 564 178.300 178.300 178.093 0.207 18091 5293 1 14 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.326 -0.606 18091 5294 1 14 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.723 -0.702 18091 5295 1 14 . 1 1 46 46 GLN H H 564 7.510 7.510 8.041 -0.531 18091 5296 1 14 . 1 1 47 47 GLU N N 565 117.680 117.680 117.504 0.176 18091 5297 1 14 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.962 -0.062 18091 5298 1 14 . 1 1 47 47 GLU C C 565 179.070 179.070 179.194 -0.124 18091 5299 1 14 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.932 -0.552 18091 5300 1 14 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.020 -0.030 18091 5301 1 14 . 1 1 47 47 GLU H H 565 7.440 7.440 7.864 -0.424 18091 5302 1 14 . 1 1 48 48 HIS N N 566 118.220 118.220 119.559 -1.339 18091 5303 1 14 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.368 0.012 18091 5304 1 14 . 1 1 48 48 HIS C C 566 177.280 177.280 177.911 -0.631 18091 5305 1 14 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.173 -0.313 18091 5306 1 14 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.828 1.612 18091 5307 1 14 . 1 1 48 48 HIS H H 566 7.420 7.420 7.517 -0.097 18091 5308 1 14 . 1 1 49 49 MET N N 567 115.200 115.200 118.471 -3.271 18091 5309 1 14 . 1 1 49 49 MET HA H 567 3.840 3.840 4.325 -0.485 18091 5310 1 14 . 1 1 49 49 MET C C 567 175.260 175.260 177.225 -1.965 18091 5311 1 14 . 1 1 49 49 MET CA C 567 57.840 57.840 58.642 -0.802 18091 5312 1 14 . 1 1 49 49 MET CB C 567 33.080 33.080 32.803 0.277 18091 5313 1 14 . 1 1 49 49 MET H H 567 7.710 7.710 7.915 -0.205 18091 5314 1 14 . 1 1 50 50 LYS N N 568 116.040 116.040 115.885 0.155 18091 5315 1 14 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.073 -0.113 18091 5316 1 14 . 1 1 50 50 LYS C C 568 176.220 176.220 176.900 -0.680 18091 5317 1 14 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.351 0.039 18091 5318 1 14 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.305 -0.085 18091 5319 1 14 . 1 1 50 50 LYS H H 568 7.140 7.140 7.472 -0.332 18091 5320 1 14 . 1 1 51 51 ASN N N 569 119.600 119.600 118.206 1.394 18091 5321 1 14 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.859 0.161 18091 5322 1 14 . 1 1 51 51 ASN C C 569 173.920 173.920 175.230 -1.310 18091 5323 1 14 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.568 -1.617 18091 5324 1 14 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.965 -0.965 18091 5325 1 14 . 1 1 51 51 ASN H H 569 7.480 7.480 7.452 0.028 18091 5326 1 14 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.344 -0.084 18091 5327 1 14 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.664 -0.554 18091 5328 1 14 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.071 0.199 18091 5329 1 14 . 1 1 53 53 GLU N N 571 116.870 116.870 118.547 -1.677 18091 5330 1 14 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.145 -0.075 18091 5331 1 14 . 1 1 53 53 GLU C C 571 178.830 178.830 178.769 0.061 18091 5332 1 14 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.513 -0.633 18091 5333 1 14 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.502 -0.072 18091 5334 1 14 . 1 1 53 53 GLU H H 571 7.960 7.960 8.363 -0.403 18091 5335 1 14 . 1 1 54 54 VAL N N 572 118.290 118.290 119.087 -0.797 18091 5336 1 14 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.823 -0.163 18091 5337 1 14 . 1 1 54 54 VAL C C 572 177.620 177.620 177.753 -0.133 18091 5338 1 14 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.181 -0.081 18091 5339 1 14 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.473 0.737 18091 5340 1 14 . 1 1 54 54 VAL H H 572 7.330 7.330 7.814 -0.484 18091 5341 1 14 . 1 1 55 55 PHE N N 573 121.090 121.090 122.339 -1.249 18091 5342 1 14 . 1 1 55 55 PHE HA H 573 3.890 3.890 3.964 -0.074 18091 5343 1 14 . 1 1 55 55 PHE C C 573 176.760 176.760 176.980 -0.220 18091 5344 1 14 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.258 -0.028 18091 5345 1 14 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.946 -0.326 18091 5346 1 14 . 1 1 55 55 PHE H H 573 8.700 8.700 8.554 0.146 18091 5347 1 14 . 1 1 56 56 LYS N N 574 116.910 116.910 119.479 -2.569 18091 5348 1 14 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.791 -0.001 18091 5349 1 14 . 1 1 56 56 LYS C C 574 178.980 178.980 178.812 0.168 18091 5350 1 14 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.668 -0.188 18091 5351 1 14 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.450 -0.249 18091 5352 1 14 . 1 1 56 56 LYS H H 574 7.800 7.800 7.822 -0.022 18091 5353 1 14 . 1 1 57 57 LYS N N 575 119.120 119.120 119.133 -0.013 18091 5354 1 14 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.996 -0.086 18091 5355 1 14 . 1 1 57 57 LYS C C 575 178.520 178.520 179.162 -0.642 18091 5356 1 14 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.455 0.495 18091 5357 1 14 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.412 0.648 18091 5358 1 14 . 1 1 57 57 LYS H H 575 7.170 7.170 7.298 -0.128 18091 5359 1 14 . 1 1 58 58 ILE N N 576 119.180 119.180 119.159 0.021 18091 5360 1 14 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.739 -0.419 18091 5361 1 14 . 1 1 58 58 ILE C C 576 177.820 177.820 178.495 -0.675 18091 5362 1 14 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.927 0.603 18091 5363 1 14 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.979 -0.729 18091 5364 1 14 . 1 1 58 58 ILE H H 576 8.300 8.300 8.551 -0.251 18091 5365 1 14 . 1 1 59 59 GLN N N 577 118.000 118.000 118.136 -0.136 18091 5366 1 14 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.761 -0.091 18091 5367 1 14 . 1 1 59 59 GLN C C 577 179.250 179.250 178.414 0.836 18091 5368 1 14 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.202 -0.082 18091 5369 1 14 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.212 -0.372 18091 5370 1 14 . 1 1 59 59 GLN H H 577 8.180 8.180 7.700 0.480 18091 5371 1 14 . 1 1 60 60 THR N N 578 118.670 118.670 116.993 1.677 18091 5372 1 14 . 1 1 60 60 THR HA H 578 3.760 3.760 3.892 -0.132 18091 5373 1 14 . 1 1 60 60 THR C C 578 176.060 176.060 176.463 -0.403 18091 5374 1 14 . 1 1 60 60 THR CA C 578 66.890 66.890 67.172 -0.282 18091 5375 1 14 . 1 1 60 60 THR CB C 578 68.030 68.030 68.593 -0.563 18091 5376 1 14 . 1 1 60 60 THR H H 578 7.780 7.780 7.543 0.237 18091 5377 1 14 . 1 1 61 61 LEU N N 579 120.680 120.680 120.664 0.016 18091 5378 1 14 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.966 -0.116 18091 5379 1 14 . 1 1 61 61 LEU C C 579 179.590 179.590 178.686 0.904 18091 5380 1 14 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.603 0.047 18091 5381 1 14 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.380 -0.400 18091 5382 1 14 . 1 1 61 61 LEU H H 579 7.620 7.620 7.341 0.279 18091 5383 1 14 . 1 1 62 62 ILE N N 580 122.880 122.880 120.567 2.313 18091 5384 1 14 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.693 0.337 18091 5385 1 14 . 1 1 62 62 ILE C C 580 180.260 180.260 179.116 1.144 18091 5386 1 14 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.955 -0.225 18091 5387 1 14 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.665 0.645 18091 5388 1 14 . 1 1 62 62 ILE H H 580 8.540 8.540 7.416 1.124 18091 5389 1 14 . 1 1 63 63 ALA N N 581 124.510 124.510 122.838 1.672 18091 5390 1 14 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.030 -0.060 18091 5391 1 14 . 1 1 63 63 ALA C C 581 179.000 179.000 178.804 0.196 18091 5392 1 14 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.751 0.089 18091 5393 1 14 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.323 -0.823 18091 5394 1 14 . 1 1 63 63 ALA H H 581 8.120 8.120 8.065 0.055 18091 5395 1 14 . 1 1 64 64 ALA N N 582 116.250 116.250 118.532 -2.282 18091 5396 1 14 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.216 -0.076 18091 5397 1 14 . 1 1 64 64 ALA C C 582 177.040 177.040 177.734 -0.694 18091 5398 1 14 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.934 0.246 18091 5399 1 14 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.927 0.933 18091 5400 1 14 . 1 1 64 64 ALA H H 582 7.470 7.470 7.485 -0.015 18091 5401 1 14 . 1 1 65 65 GLY N N 583 104.540 104.540 106.114 -1.574 18091 5402 1 14 . 1 1 65 65 GLY C C 583 174.180 174.180 174.878 -0.698 18091 5403 1 14 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.829 -1.039 18091 5404 1 14 . 1 1 65 65 GLY H H 583 7.600 7.600 7.610 -0.010 18091 5405 1 14 . 1 1 66 66 ILE N N 584 118.630 118.630 116.935 1.695 18091 5406 1 14 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.808 -0.048 18091 5407 1 14 . 1 1 66 66 ILE C C 584 175.660 175.660 175.503 0.157 18091 5408 1 14 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.238 -0.688 18091 5409 1 14 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.338 -0.728 18091 5410 1 14 . 1 1 66 66 ILE H H 584 7.590 7.590 7.655 -0.065 18091 5411 1 14 . 1 1 67 67 ILE N N 585 116.360 116.360 119.554 -3.194 18091 5412 1 14 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.320 -0.150 18091 5413 1 14 . 1 1 67 67 ILE C C 585 174.370 174.370 174.764 -0.394 18091 5414 1 14 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.182 -0.702 18091 5415 1 14 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.419 -0.789 18091 5416 1 14 . 1 1 67 67 ILE H H 585 6.490 6.490 7.314 -0.824 18091 5417 1 14 . 1 1 68 68 ARG N N 586 125.450 125.450 126.315 -0.865 18091 5418 1 14 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.685 -0.305 18091 5419 1 14 . 1 1 68 68 ARG C C 586 175.720 175.720 176.202 -0.482 18091 5420 1 14 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.494 -0.574 18091 5421 1 14 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.235 0.085 18091 5422 1 14 . 1 1 68 68 ARG H H 586 8.500 8.500 8.588 -0.088 18091 5423 1 14 . 1 1 69 69 THR N N 587 113.710 113.710 115.269 -1.559 18091 5424 1 14 . 1 1 69 69 THR HA H 587 4.300 4.300 4.463 -0.163 18091 5425 1 14 . 1 1 69 69 THR C C 587 174.760 174.760 175.047 -0.287 18091 5426 1 14 . 1 1 69 69 THR CA C 587 61.300 61.300 61.970 -0.670 18091 5427 1 14 . 1 1 69 69 THR CB C 587 69.720 69.720 69.498 0.222 18091 5428 1 14 . 1 1 69 69 THR H H 587 8.250 8.250 8.231 0.019 18091 5429 1 14 . 1 1 70 70 GLY N N 588 110.720 110.720 111.741 -1.021 18091 5430 1 14 . 1 1 70 70 GLY C C 588 172.820 172.820 173.805 -0.985 18091 5431 1 14 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.539 -0.380 18091 5432 1 14 . 1 1 70 70 GLY H H 588 8.230 8.230 8.552 -0.322 18091 5433 1 15 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.376 -0.146 18091 5434 1 15 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.128 0.122 18091 5435 1 15 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.140 -0.180 18091 5436 1 15 . 1 1 3 3 GLY N N 521 109.400 109.400 108.013 1.387 18091 5437 1 15 . 1 1 3 3 GLY C C 521 174.300 174.300 173.481 0.819 18091 5438 1 15 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.310 0.870 18091 5439 1 15 . 1 1 3 3 GLY H H 521 8.490 8.490 7.960 0.530 18091 5440 1 15 . 1 1 4 4 THR N N 522 112.480 112.480 110.976 1.504 18091 5441 1 15 . 1 1 4 4 THR HA H 522 4.300 4.300 4.455 -0.155 18091 5442 1 15 . 1 1 4 4 THR C C 522 174.690 174.690 173.877 0.813 18091 5443 1 15 . 1 1 4 4 THR CA C 522 61.240 61.240 61.859 -0.619 18091 5444 1 15 . 1 1 4 4 THR CB C 522 69.960 69.960 69.558 0.402 18091 5445 1 15 . 1 1 4 4 THR H H 522 7.860 7.860 8.258 -0.398 18091 5446 1 15 . 1 1 5 5 SER N N 523 117.450 117.450 116.520 0.930 18091 5447 1 15 . 1 1 5 5 SER HA H 523 3.890 3.890 4.570 -0.680 18091 5448 1 15 . 1 1 5 5 SER C C 523 173.320 173.320 175.092 -1.772 18091 5449 1 15 . 1 1 5 5 SER CA C 523 58.460 58.460 57.710 0.750 18091 5450 1 15 . 1 1 5 5 SER CB C 523 63.690 63.690 64.345 -0.655 18091 5451 1 15 . 1 1 5 5 SER H H 523 8.300 8.300 7.765 0.535 18091 5452 1 15 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.553 -0.203 18091 5453 1 15 . 1 1 6 6 ASN C C 524 174.670 174.670 175.224 -0.554 18091 5454 1 15 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.369 -1.309 18091 5455 1 15 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.491 0.219 18091 5456 1 15 . 1 1 7 7 GLU N N 525 120.970 120.970 120.741 0.229 18091 5457 1 15 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.227 0.113 18091 5458 1 15 . 1 1 7 7 GLU C C 525 176.900 176.900 175.775 1.125 18091 5459 1 15 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.086 -1.046 18091 5460 1 15 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.385 1.685 18091 5461 1 15 . 1 1 7 7 GLU H H 525 7.970 7.970 8.436 -0.466 18091 5462 1 15 . 1 1 8 8 THR N N 526 116.960 116.960 118.043 -1.083 18091 5463 1 15 . 1 1 8 8 THR HA H 526 4.540 4.540 4.818 -0.278 18091 5464 1 15 . 1 1 8 8 THR C C 526 173.410 173.410 173.329 0.081 18091 5465 1 15 . 1 1 8 8 THR CA C 526 60.080 60.080 59.497 0.583 18091 5466 1 15 . 1 1 8 8 THR CB C 526 68.500 68.500 68.780 -0.280 18091 5467 1 15 . 1 1 8 8 THR H H 526 8.630 8.630 8.328 0.302 18091 5468 1 15 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.364 -0.174 18091 5469 1 15 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.862 0.248 18091 5470 1 15 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.026 -0.446 18091 5471 1 15 . 1 1 10 10 GLU N N 528 118.610 118.610 117.105 1.505 18091 5472 1 15 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.945 0.035 18091 5473 1 15 . 1 1 10 10 GLU C C 528 178.550 178.550 178.863 -0.313 18091 5474 1 15 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.656 -0.076 18091 5475 1 15 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.056 -0.066 18091 5476 1 15 . 1 1 10 10 GLU H H 528 8.550 8.550 8.904 -0.354 18091 5477 1 15 . 1 1 11 11 GLU N N 529 121.090 121.090 120.172 0.918 18091 5478 1 15 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.283 -0.353 18091 5479 1 15 . 1 1 11 11 GLU C C 529 179.470 179.470 178.794 0.676 18091 5480 1 15 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.168 -0.218 18091 5481 1 15 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.693 -0.213 18091 5482 1 15 . 1 1 11 11 GLU H H 529 7.870 7.870 7.850 0.020 18091 5483 1 15 . 1 1 12 12 THR N N 530 118.050 118.050 117.242 0.808 18091 5484 1 15 . 1 1 12 12 THR HA H 530 3.750 3.750 4.007 -0.257 18091 5485 1 15 . 1 1 12 12 THR C C 530 175.770 175.770 176.665 -0.895 18091 5486 1 15 . 1 1 12 12 THR CA C 530 66.320 66.320 67.382 -1.062 18091 5487 1 15 . 1 1 12 12 THR CB C 530 68.430 68.430 68.955 -0.525 18091 5488 1 15 . 1 1 12 12 THR H H 530 8.390 8.390 7.538 0.852 18091 5489 1 15 . 1 1 13 13 TYR N N 531 122.280 122.280 120.719 1.561 18091 5490 1 15 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.106 -0.286 18091 5491 1 15 . 1 1 13 13 TYR C C 531 176.420 176.420 178.187 -1.767 18091 5492 1 15 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.491 -0.051 18091 5493 1 15 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.753 0.357 18091 5494 1 15 . 1 1 13 13 TYR H H 531 8.050 8.050 8.035 0.015 18091 5495 1 15 . 1 1 14 14 GLN N N 532 116.250 116.250 118.128 -1.878 18091 5496 1 15 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.958 -0.268 18091 5497 1 15 . 1 1 14 14 GLN C C 532 178.800 178.800 178.650 0.150 18091 5498 1 15 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.132 -0.512 18091 5499 1 15 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.503 -0.443 18091 5500 1 15 . 1 1 14 14 GLN H H 532 8.010 8.010 7.882 0.128 18091 5501 1 15 . 1 1 15 15 ARG N N 533 118.730 118.730 118.701 0.029 18091 5502 1 15 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.061 -0.141 18091 5503 1 15 . 1 1 15 15 ARG C C 533 179.030 179.030 178.911 0.119 18091 5504 1 15 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.518 0.622 18091 5505 1 15 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.622 0.178 18091 5506 1 15 . 1 1 15 15 ARG H H 533 7.800 7.800 7.917 -0.117 18091 5507 1 15 . 1 1 16 16 ALA N N 534 123.500 123.500 122.421 1.079 18091 5508 1 15 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.001 -0.041 18091 5509 1 15 . 1 1 16 16 ALA C C 534 178.860 178.860 179.770 -0.910 18091 5510 1 15 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.805 -0.135 18091 5511 1 15 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.240 0.490 18091 5512 1 15 . 1 1 16 16 ALA H H 534 8.210 8.210 7.922 0.288 18091 5513 1 15 . 1 1 17 17 MET N N 535 111.910 111.910 115.168 -3.258 18091 5514 1 15 . 1 1 17 17 MET HA H 535 4.020 4.020 4.185 -0.165 18091 5515 1 15 . 1 1 17 17 MET C C 535 176.890 176.890 177.422 -0.532 18091 5516 1 15 . 1 1 17 17 MET CA C 535 55.200 55.200 57.228 -2.028 18091 5517 1 15 . 1 1 17 17 MET CB C 535 31.110 31.110 31.782 -0.672 18091 5518 1 15 . 1 1 17 17 MET H H 535 7.480 7.480 7.984 -0.504 18091 5519 1 15 . 1 1 18 18 LYS N N 536 116.840 116.840 116.857 -0.017 18091 5520 1 15 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.158 -0.168 18091 5521 1 15 . 1 1 18 18 LYS C C 536 176.690 176.690 176.646 0.044 18091 5522 1 15 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.078 -0.488 18091 5523 1 15 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.507 -0.167 18091 5524 1 15 . 1 1 18 18 LYS H H 536 7.180 7.180 7.253 -0.073 18091 5525 1 15 . 1 1 19 19 ASP N N 537 122.680 122.680 121.272 1.408 18091 5526 1 15 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.894 -0.094 18091 5527 1 15 . 1 1 19 19 ASP C C 537 174.720 174.720 175.565 -0.845 18091 5528 1 15 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.112 -0.022 18091 5529 1 15 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.861 0.109 18091 5530 1 15 . 1 1 19 19 ASP H H 537 7.530 7.530 7.679 -0.149 18091 5531 1 15 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.236 -0.096 18091 5532 1 15 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.910 -0.160 18091 5533 1 15 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.106 0.014 18091 5534 1 15 . 1 1 21 21 GLU N N 539 118.590 118.590 117.659 0.931 18091 5535 1 15 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.045 -0.035 18091 5536 1 15 . 1 1 21 21 GLU C C 539 179.010 179.010 178.918 0.092 18091 5537 1 15 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.056 -0.206 18091 5538 1 15 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.253 0.087 18091 5539 1 15 . 1 1 21 21 GLU H H 539 8.200 8.200 7.882 0.318 18091 5540 1 15 . 1 1 22 22 VAL N N 540 120.690 120.690 120.446 0.244 18091 5541 1 15 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.556 -0.326 18091 5542 1 15 . 1 1 22 22 VAL C C 540 177.740 177.740 177.516 0.224 18091 5543 1 15 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.955 -0.865 18091 5544 1 15 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.543 -0.193 18091 5545 1 15 . 1 1 22 22 VAL H H 540 7.350 7.350 7.538 -0.188 18091 5546 1 15 . 1 1 23 23 ALA N N 541 121.460 121.460 122.347 -0.887 18091 5547 1 15 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.980 -0.210 18091 5548 1 15 . 1 1 23 23 ALA C C 541 179.660 179.660 179.220 0.440 18091 5549 1 15 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.026 0.364 18091 5550 1 15 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.229 -0.519 18091 5551 1 15 . 1 1 23 23 ALA H H 541 8.430 8.430 7.533 0.897 18091 5552 1 15 . 1 1 24 24 ALA N N 542 117.000 117.000 121.011 -4.011 18091 5553 1 15 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.111 -0.171 18091 5554 1 15 . 1 1 24 24 ALA C C 542 180.880 180.880 179.165 1.715 18091 5555 1 15 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.546 0.154 18091 5556 1 15 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.360 -0.410 18091 5557 1 15 . 1 1 24 24 ALA H H 542 7.380 7.380 7.596 -0.216 18091 5558 1 15 . 1 1 25 25 ILE N N 543 119.750 119.750 118.429 1.321 18091 5559 1 15 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.765 -0.075 18091 5560 1 15 . 1 1 25 25 ILE C C 543 177.450 177.450 178.517 -1.067 18091 5561 1 15 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.482 0.478 18091 5562 1 15 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.187 0.093 18091 5563 1 15 . 1 1 25 25 ILE H H 543 7.380 7.380 7.378 0.002 18091 5564 1 15 . 1 1 26 26 MET N N 544 113.830 113.830 117.674 -3.844 18091 5565 1 15 . 1 1 26 26 MET HA H 544 4.140 4.140 4.094 0.046 18091 5566 1 15 . 1 1 26 26 MET C C 544 177.680 177.680 177.830 -0.150 18091 5567 1 15 . 1 1 26 26 MET CA C 544 55.660 55.660 58.658 -2.998 18091 5568 1 15 . 1 1 26 26 MET CB C 544 30.690 30.690 32.692 -2.002 18091 5569 1 15 . 1 1 26 26 MET H H 544 7.870 7.870 7.741 0.129 18091 5570 1 15 . 1 1 27 27 GLN N N 545 115.210 115.210 115.629 -0.419 18091 5571 1 15 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.306 -0.226 18091 5572 1 15 . 1 1 27 27 GLN C C 545 175.170 175.170 175.567 -0.397 18091 5573 1 15 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.013 -0.573 18091 5574 1 15 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.331 -0.341 18091 5575 1 15 . 1 1 27 27 GLN H H 545 7.340 7.340 7.427 -0.087 18091 5576 1 15 . 1 1 28 28 ASP N N 546 123.270 123.270 119.558 3.712 18091 5577 1 15 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.001 -0.281 18091 5578 1 15 . 1 1 28 28 ASP C C 546 175.220 175.220 175.142 0.078 18091 5579 1 15 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.590 0.750 18091 5580 1 15 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.614 -0.234 18091 5581 1 15 . 1 1 28 28 ASP H H 546 7.320 7.320 7.737 -0.417 18091 5582 1 15 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.571 -0.451 18091 5583 1 15 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.866 1.054 18091 5584 1 15 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.676 -0.416 18091 5585 1 15 . 1 1 30 30 VAL N N 548 119.870 119.870 119.436 0.434 18091 5586 1 15 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.677 -0.097 18091 5587 1 15 . 1 1 30 30 VAL C C 548 179.010 179.010 177.620 1.390 18091 5588 1 15 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.887 -0.887 18091 5589 1 15 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.053 0.057 18091 5590 1 15 . 1 1 30 30 VAL H H 548 8.000 8.000 7.884 0.116 18091 5591 1 15 . 1 1 31 31 MET N N 549 118.270 118.270 117.400 0.870 18091 5592 1 15 . 1 1 31 31 MET HA H 549 4.340 4.340 3.965 0.375 18091 5593 1 15 . 1 1 31 31 MET C C 549 178.830 178.830 178.326 0.504 18091 5594 1 15 . 1 1 31 31 MET CA C 549 55.140 55.140 58.937 -3.797 18091 5595 1 15 . 1 1 31 31 MET CB C 549 28.840 28.840 32.186 -3.346 18091 5596 1 15 . 1 1 31 31 MET H H 549 7.250 7.250 7.815 -0.565 18091 5597 1 15 . 1 1 32 32 GLN N N 550 118.190 118.190 119.108 -0.918 18091 5598 1 15 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.932 -0.192 18091 5599 1 15 . 1 1 32 32 GLN C C 550 178.840 178.840 178.545 0.295 18091 5600 1 15 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.051 0.369 18091 5601 1 15 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.361 -0.701 18091 5602 1 15 . 1 1 32 32 GLN H H 550 8.310 8.310 8.439 -0.129 18091 5603 1 15 . 1 1 33 33 SER N N 551 114.010 114.010 115.958 -1.948 18091 5604 1 15 . 1 1 33 33 SER HA H 551 4.140 4.140 4.144 -0.004 18091 5605 1 15 . 1 1 33 33 SER C C 551 176.840 176.840 176.691 0.149 18091 5606 1 15 . 1 1 33 33 SER CA C 551 61.330 61.330 61.788 -0.458 18091 5607 1 15 . 1 1 33 33 SER CB C 551 62.450 62.450 63.078 -0.628 18091 5608 1 15 . 1 1 33 33 SER H H 551 7.570 7.570 7.639 -0.069 18091 5609 1 15 . 1 1 34 34 ILE N N 552 123.490 123.490 122.805 0.685 18091 5610 1 15 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.742 -0.462 18091 5611 1 15 . 1 1 34 34 ILE C C 552 177.630 177.630 178.131 -0.501 18091 5612 1 15 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.013 0.668 18091 5613 1 15 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.487 0.233 18091 5614 1 15 . 1 1 34 34 ILE H H 552 7.600 7.600 7.615 -0.015 18091 5615 1 15 . 1 1 35 35 LEU N N 553 119.520 119.520 119.384 0.136 18091 5616 1 15 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.796 -0.046 18091 5617 1 15 . 1 1 35 35 LEU C C 553 179.440 179.440 179.005 0.435 18091 5618 1 15 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.016 -0.066 18091 5619 1 15 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.215 -0.514 18091 5620 1 15 . 1 1 35 35 LEU H H 553 8.330 8.330 7.761 0.569 18091 5621 1 15 . 1 1 36 36 GLN N N 554 118.590 118.590 118.642 -0.052 18091 5622 1 15 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.855 0.065 18091 5623 1 15 . 1 1 36 36 GLN C C 554 178.560 178.560 178.550 0.010 18091 5624 1 15 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.227 -0.567 18091 5625 1 15 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.529 -0.469 18091 5626 1 15 . 1 1 36 36 GLN H H 554 7.800 7.800 7.756 0.044 18091 5627 1 15 . 1 1 37 37 GLN N N 555 119.520 119.520 118.693 0.827 18091 5628 1 15 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.009 -0.079 18091 5629 1 15 . 1 1 37 37 GLN C C 555 178.400 178.400 178.481 -0.081 18091 5630 1 15 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.543 -0.013 18091 5631 1 15 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.590 0.200 18091 5632 1 15 . 1 1 37 37 GLN H H 555 7.990 7.990 8.063 -0.073 18091 5633 1 15 . 1 1 38 38 ALA N N 556 120.730 120.730 121.199 -0.469 18091 5634 1 15 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.381 -0.271 18091 5635 1 15 . 1 1 38 38 ALA C C 556 178.310 178.310 179.571 -1.261 18091 5636 1 15 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.569 -1.069 18091 5637 1 15 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.346 0.024 18091 5638 1 15 . 1 1 38 38 ALA H H 556 8.310 8.310 8.085 0.225 18091 5639 1 15 . 1 1 39 39 GLN N N 557 115.600 115.600 117.756 -2.156 18091 5640 1 15 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.073 -0.113 18091 5641 1 15 . 1 1 39 39 GLN C C 557 177.260 177.260 178.532 -1.272 18091 5642 1 15 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.166 -0.247 18091 5643 1 15 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.486 -0.006 18091 5644 1 15 . 1 1 39 39 GLN H H 557 7.530 7.530 7.749 -0.219 18091 5645 1 15 . 1 1 40 40 GLN N N 558 115.310 115.310 117.336 -2.026 18091 5646 1 15 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.144 0.036 18091 5647 1 15 . 1 1 40 40 GLN C C 558 176.030 176.030 176.489 -0.459 18091 5648 1 15 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.578 -1.028 18091 5649 1 15 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.821 -0.501 18091 5650 1 15 . 1 1 40 40 GLN H H 558 7.350 7.350 7.606 -0.256 18091 5651 1 15 . 1 1 41 41 ASN N N 559 114.850 114.850 114.853 -0.003 18091 5652 1 15 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.057 -0.107 18091 5653 1 15 . 1 1 41 41 ASN C C 559 172.420 172.420 173.225 -0.805 18091 5654 1 15 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.704 -1.274 18091 5655 1 15 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.221 -2.341 18091 5656 1 15 . 1 1 41 41 ASN H H 559 7.900 7.900 8.102 -0.202 18091 5657 1 15 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.599 -0.269 18091 5658 1 15 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.728 0.272 18091 5659 1 15 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.334 -0.654 18091 5660 1 15 . 1 1 43 43 ALA N N 561 119.920 119.920 120.683 -0.763 18091 5661 1 15 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.163 -0.033 18091 5662 1 15 . 1 1 43 43 ALA C C 561 179.510 179.510 178.589 0.921 18091 5663 1 15 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.121 -0.071 18091 5664 1 15 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.356 -0.306 18091 5665 1 15 . 1 1 43 43 ALA H H 561 7.850 7.850 7.654 0.196 18091 5666 1 15 . 1 1 44 44 ALA N N 562 120.790 120.790 121.796 -1.006 18091 5667 1 15 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.358 -0.338 18091 5668 1 15 . 1 1 44 44 ALA C C 562 179.570 179.570 179.888 -0.318 18091 5669 1 15 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.926 -0.806 18091 5670 1 15 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.633 -0.433 18091 5671 1 15 . 1 1 44 44 ALA H H 562 7.980 7.980 7.660 0.320 18091 5672 1 15 . 1 1 45 45 LEU N N 563 116.420 116.420 117.431 -1.011 18091 5673 1 15 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.368 -0.388 18091 5674 1 15 . 1 1 45 45 LEU C C 563 178.220 178.220 178.608 -0.388 18091 5675 1 15 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.697 0.943 18091 5676 1 15 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.431 1.260 18091 5677 1 15 . 1 1 45 45 LEU H H 563 7.510 7.510 7.795 -0.285 18091 5678 1 15 . 1 1 46 46 GLN N N 564 115.510 115.510 120.744 -5.234 18091 5679 1 15 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.929 -0.069 18091 5680 1 15 . 1 1 46 46 GLN C C 564 178.300 178.300 178.053 0.247 18091 5681 1 15 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.399 -0.679 18091 5682 1 15 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.718 -0.698 18091 5683 1 15 . 1 1 46 46 GLN H H 564 7.510 7.510 8.001 -0.491 18091 5684 1 15 . 1 1 47 47 GLU N N 565 117.680 117.680 117.631 0.049 18091 5685 1 15 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.954 -0.054 18091 5686 1 15 . 1 1 47 47 GLU C C 565 179.070 179.070 179.184 -0.114 18091 5687 1 15 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.956 -0.576 18091 5688 1 15 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.017 -0.027 18091 5689 1 15 . 1 1 47 47 GLU H H 565 7.440 7.440 7.816 -0.376 18091 5690 1 15 . 1 1 48 48 HIS N N 566 118.220 118.220 119.578 -1.358 18091 5691 1 15 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.327 0.053 18091 5692 1 15 . 1 1 48 48 HIS C C 566 177.280 177.280 177.004 0.276 18091 5693 1 15 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.206 -0.346 18091 5694 1 15 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.826 1.614 18091 5695 1 15 . 1 1 48 48 HIS H H 566 7.420 7.420 7.406 0.014 18091 5696 1 15 . 1 1 49 49 MET N N 567 115.200 115.200 117.275 -2.075 18091 5697 1 15 . 1 1 49 49 MET HA H 567 3.840 3.840 4.310 -0.470 18091 5698 1 15 . 1 1 49 49 MET C C 567 175.260 175.260 177.687 -2.427 18091 5699 1 15 . 1 1 49 49 MET CA C 567 57.840 57.840 58.473 -0.633 18091 5700 1 15 . 1 1 49 49 MET CB C 567 33.080 33.080 32.841 0.239 18091 5701 1 15 . 1 1 49 49 MET H H 567 7.710 7.710 7.912 -0.202 18091 5702 1 15 . 1 1 50 50 LYS N N 568 116.040 116.040 116.239 -0.199 18091 5703 1 15 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.073 -0.113 18091 5704 1 15 . 1 1 50 50 LYS C C 568 176.220 176.220 176.830 -0.610 18091 5705 1 15 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.429 -0.039 18091 5706 1 15 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.383 -0.163 18091 5707 1 15 . 1 1 50 50 LYS H H 568 7.140 7.140 7.575 -0.435 18091 5708 1 15 . 1 1 51 51 ASN N N 569 119.600 119.600 118.298 1.302 18091 5709 1 15 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.816 0.204 18091 5710 1 15 . 1 1 51 51 ASN C C 569 173.920 173.920 175.333 -1.413 18091 5711 1 15 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.629 -1.679 18091 5712 1 15 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.846 -0.846 18091 5713 1 15 . 1 1 51 51 ASN H H 569 7.480 7.480 7.436 0.044 18091 5714 1 15 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.323 -0.063 18091 5715 1 15 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.836 -0.726 18091 5716 1 15 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.030 0.240 18091 5717 1 15 . 1 1 53 53 GLU N N 571 116.870 116.870 118.430 -1.560 18091 5718 1 15 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.153 -0.083 18091 5719 1 15 . 1 1 53 53 GLU C C 571 178.830 178.830 178.693 0.137 18091 5720 1 15 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.597 -0.717 18091 5721 1 15 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.467 -0.037 18091 5722 1 15 . 1 1 53 53 GLU H H 571 7.960 7.960 8.572 -0.612 18091 5723 1 15 . 1 1 54 54 VAL N N 572 118.290 118.290 119.051 -0.761 18091 5724 1 15 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.830 -0.170 18091 5725 1 15 . 1 1 54 54 VAL C C 572 177.620 177.620 177.810 -0.190 18091 5726 1 15 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.167 -0.067 18091 5727 1 15 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.468 0.742 18091 5728 1 15 . 1 1 54 54 VAL H H 572 7.330 7.330 7.790 -0.460 18091 5729 1 15 . 1 1 55 55 PHE N N 573 121.090 121.090 122.122 -1.032 18091 5730 1 15 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.027 -0.137 18091 5731 1 15 . 1 1 55 55 PHE C C 573 176.760 176.760 176.949 -0.189 18091 5732 1 15 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.268 -0.038 18091 5733 1 15 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.911 -0.291 18091 5734 1 15 . 1 1 55 55 PHE H H 573 8.700 8.700 8.705 -0.005 18091 5735 1 15 . 1 1 56 56 LYS N N 574 116.910 116.910 118.564 -1.654 18091 5736 1 15 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.782 0.008 18091 5737 1 15 . 1 1 56 56 LYS C C 574 178.980 178.980 179.002 -0.022 18091 5738 1 15 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.633 -0.153 18091 5739 1 15 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.266 -0.066 18091 5740 1 15 . 1 1 56 56 LYS H H 574 7.800 7.800 7.814 -0.014 18091 5741 1 15 . 1 1 57 57 LYS N N 575 119.120 119.120 119.490 -0.370 18091 5742 1 15 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091 5743 1 15 . 1 1 57 57 LYS C C 575 178.520 178.520 179.090 -0.570 18091 5744 1 15 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.469 0.481 18091 5745 1 15 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.399 0.661 18091 5746 1 15 . 1 1 57 57 LYS H H 575 7.170 7.170 7.251 -0.081 18091 5747 1 15 . 1 1 58 58 ILE N N 576 119.180 119.180 119.316 -0.136 18091 5748 1 15 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091 5749 1 15 . 1 1 58 58 ILE C C 576 177.820 177.820 178.508 -0.688 18091 5750 1 15 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.320 0.210 18091 5751 1 15 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.069 -0.819 18091 5752 1 15 . 1 1 58 58 ILE H H 576 8.300 8.300 8.514 -0.214 18091 5753 1 15 . 1 1 59 59 GLN N N 577 118.000 118.000 118.178 -0.178 18091 5754 1 15 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.779 -0.108 18091 5755 1 15 . 1 1 59 59 GLN C C 577 179.250 179.250 178.456 0.794 18091 5756 1 15 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.242 -0.122 18091 5757 1 15 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.276 -0.435 18091 5758 1 15 . 1 1 59 59 GLN H H 577 8.180 8.180 7.725 0.455 18091 5759 1 15 . 1 1 60 60 THR N N 578 118.670 118.670 117.251 1.419 18091 5760 1 15 . 1 1 60 60 THR HA H 578 3.760 3.760 3.853 -0.093 18091 5761 1 15 . 1 1 60 60 THR C C 578 176.060 176.060 176.406 -0.346 18091 5762 1 15 . 1 1 60 60 THR CA C 578 66.890 66.890 67.391 -0.501 18091 5763 1 15 . 1 1 60 60 THR CB C 578 68.030 68.030 68.640 -0.610 18091 5764 1 15 . 1 1 60 60 THR H H 578 7.780 7.780 7.680 0.100 18091 5765 1 15 . 1 1 61 61 LEU N N 579 120.680 120.680 120.703 -0.023 18091 5766 1 15 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.939 -0.089 18091 5767 1 15 . 1 1 61 61 LEU C C 579 179.590 179.590 178.659 0.931 18091 5768 1 15 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.674 -0.024 18091 5769 1 15 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.351 -0.371 18091 5770 1 15 . 1 1 61 61 LEU H H 579 7.620 7.620 7.369 0.251 18091 5771 1 15 . 1 1 62 62 ILE N N 580 122.880 122.880 120.471 2.409 18091 5772 1 15 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.707 0.323 18091 5773 1 15 . 1 1 62 62 ILE C C 580 180.260 180.260 179.077 1.183 18091 5774 1 15 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.962 -0.232 18091 5775 1 15 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.682 0.628 18091 5776 1 15 . 1 1 62 62 ILE H H 580 8.540 8.540 7.512 1.028 18091 5777 1 15 . 1 1 63 63 ALA N N 581 124.510 124.510 122.851 1.659 18091 5778 1 15 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.030 -0.060 18091 5779 1 15 . 1 1 63 63 ALA C C 581 179.000 179.000 178.799 0.201 18091 5780 1 15 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091 5781 1 15 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.322 -0.822 18091 5782 1 15 . 1 1 63 63 ALA H H 581 8.120 8.120 8.084 0.036 18091 5783 1 15 . 1 1 64 64 ALA N N 582 116.250 116.250 118.496 -2.246 18091 5784 1 15 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.230 -0.090 18091 5785 1 15 . 1 1 64 64 ALA C C 582 177.040 177.040 177.695 -0.655 18091 5786 1 15 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.821 0.359 18091 5787 1 15 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.913 0.947 18091 5788 1 15 . 1 1 64 64 ALA H H 582 7.470 7.470 7.522 -0.052 18091 5789 1 15 . 1 1 65 65 GLY N N 583 104.540 104.540 106.347 -1.807 18091 5790 1 15 . 1 1 65 65 GLY C C 583 174.180 174.180 175.060 -0.880 18091 5791 1 15 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.845 -1.055 18091 5792 1 15 . 1 1 65 65 GLY H H 583 7.600 7.600 7.639 -0.039 18091 5793 1 15 . 1 1 66 66 ILE N N 584 118.630 118.630 117.315 1.315 18091 5794 1 15 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.837 -0.077 18091 5795 1 15 . 1 1 66 66 ILE C C 584 175.660 175.660 175.128 0.532 18091 5796 1 15 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.369 -0.819 18091 5797 1 15 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.415 -0.805 18091 5798 1 15 . 1 1 66 66 ILE H H 584 7.590 7.590 7.680 -0.090 18091 5799 1 15 . 1 1 67 67 ILE N N 585 116.360 116.360 118.153 -1.793 18091 5800 1 15 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.398 -0.228 18091 5801 1 15 . 1 1 67 67 ILE C C 585 174.370 174.370 174.677 -0.307 18091 5802 1 15 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.041 -0.561 18091 5803 1 15 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.925 -1.295 18091 5804 1 15 . 1 1 67 67 ILE H H 585 6.490 6.490 7.214 -0.724 18091 5805 1 15 . 1 1 68 68 ARG N N 586 125.450 125.450 125.530 -0.080 18091 5806 1 15 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.573 -0.193 18091 5807 1 15 . 1 1 68 68 ARG C C 586 175.720 175.720 176.261 -0.541 18091 5808 1 15 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.371 -1.451 18091 5809 1 15 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.722 0.598 18091 5810 1 15 . 1 1 68 68 ARG H H 586 8.500 8.500 8.668 -0.168 18091 5811 1 15 . 1 1 69 69 THR N N 587 113.710 113.710 114.592 -0.882 18091 5812 1 15 . 1 1 69 69 THR HA H 587 4.300 4.300 4.343 -0.043 18091 5813 1 15 . 1 1 69 69 THR C C 587 174.760 174.760 174.646 0.114 18091 5814 1 15 . 1 1 69 69 THR CA C 587 61.300 61.300 61.832 -0.532 18091 5815 1 15 . 1 1 69 69 THR CB C 587 69.720 69.720 69.479 0.241 18091 5816 1 15 . 1 1 69 69 THR H H 587 8.250 8.250 8.645 -0.395 18091 5817 1 15 . 1 1 70 70 GLY N N 588 110.720 110.720 109.661 1.059 18091 5818 1 15 . 1 1 70 70 GLY C C 588 172.820 172.820 173.252 -0.432 18091 5819 1 15 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.730 0.430 18091 5820 1 15 . 1 1 70 70 GLY H H 588 8.230 8.230 7.851 0.379 18091 5821 1 16 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.513 -0.283 18091 5822 1 16 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.119 0.131 18091 5823 1 16 . 1 1 2 2 PRO CB C 520 31.960 31.960 31.792 0.168 18091 5824 1 16 . 1 1 3 3 GLY N N 521 109.400 109.400 112.075 -2.675 18091 5825 1 16 . 1 1 3 3 GLY C C 521 174.300 174.300 173.210 1.090 18091 5826 1 16 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.687 0.493 18091 5827 1 16 . 1 1 3 3 GLY H H 521 8.490 8.490 8.230 0.260 18091 5828 1 16 . 1 1 4 4 THR N N 522 112.480 112.480 114.533 -2.053 18091 5829 1 16 . 1 1 4 4 THR HA H 522 4.300 4.300 4.462 -0.162 18091 5830 1 16 . 1 1 4 4 THR C C 522 174.690 174.690 174.212 0.478 18091 5831 1 16 . 1 1 4 4 THR CA C 522 61.240 61.240 61.142 0.097 18091 5832 1 16 . 1 1 4 4 THR CB C 522 69.960 69.960 71.447 -1.487 18091 5833 1 16 . 1 1 4 4 THR H H 522 7.860 7.860 7.982 -0.122 18091 5834 1 16 . 1 1 5 5 SER N N 523 117.450 117.450 114.236 3.214 18091 5835 1 16 . 1 1 5 5 SER HA H 523 3.890 3.890 4.071 -0.181 18091 5836 1 16 . 1 1 5 5 SER C C 523 173.320 173.320 174.025 -0.705 18091 5837 1 16 . 1 1 5 5 SER CA C 523 58.460 58.460 59.004 -0.544 18091 5838 1 16 . 1 1 5 5 SER CB C 523 63.690 63.690 62.602 1.088 18091 5839 1 16 . 1 1 5 5 SER H H 523 8.300 8.300 8.521 -0.221 18091 5840 1 16 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.527 -0.177 18091 5841 1 16 . 1 1 6 6 ASN C C 524 174.670 174.670 175.667 -0.997 18091 5842 1 16 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.492 -1.432 18091 5843 1 16 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.747 -0.037 18091 5844 1 16 . 1 1 7 7 GLU N N 525 120.970 120.970 119.738 1.232 18091 5845 1 16 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.460 -0.120 18091 5846 1 16 . 1 1 7 7 GLU C C 525 176.900 176.900 175.795 1.105 18091 5847 1 16 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.751 0.289 18091 5848 1 16 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.543 0.527 18091 5849 1 16 . 1 1 7 7 GLU H H 525 7.970 7.970 7.995 -0.025 18091 5850 1 16 . 1 1 8 8 THR N N 526 116.960 116.960 117.663 -0.703 18091 5851 1 16 . 1 1 8 8 THR HA H 526 4.540 4.540 4.606 -0.066 18091 5852 1 16 . 1 1 8 8 THR C C 526 173.410 173.410 174.219 -0.809 18091 5853 1 16 . 1 1 8 8 THR CA C 526 60.080 60.080 59.711 0.369 18091 5854 1 16 . 1 1 8 8 THR CB C 526 68.500 68.500 68.664 -0.164 18091 5855 1 16 . 1 1 8 8 THR H H 526 8.630 8.630 8.506 0.124 18091 5856 1 16 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.362 -0.172 18091 5857 1 16 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.783 0.327 18091 5858 1 16 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.012 -0.432 18091 5859 1 16 . 1 1 10 10 GLU N N 528 118.610 118.610 117.119 1.491 18091 5860 1 16 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.095 -0.115 18091 5861 1 16 . 1 1 10 10 GLU C C 528 178.550 178.550 178.984 -0.434 18091 5862 1 16 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.620 -0.040 18091 5863 1 16 . 1 1 10 10 GLU CB C 528 28.990 28.990 28.844 0.146 18091 5864 1 16 . 1 1 10 10 GLU H H 528 8.550 8.550 9.001 -0.451 18091 5865 1 16 . 1 1 11 11 GLU N N 529 121.090 121.090 119.992 1.098 18091 5866 1 16 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.278 -0.348 18091 5867 1 16 . 1 1 11 11 GLU C C 529 179.470 179.470 178.688 0.782 18091 5868 1 16 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.396 -0.446 18091 5869 1 16 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.565 -0.085 18091 5870 1 16 . 1 1 11 11 GLU H H 529 7.870 7.870 7.785 0.085 18091 5871 1 16 . 1 1 12 12 THR N N 530 118.050 118.050 116.807 1.243 18091 5872 1 16 . 1 1 12 12 THR HA H 530 3.750 3.750 3.973 -0.223 18091 5873 1 16 . 1 1 12 12 THR C C 530 175.770 175.770 176.205 -0.435 18091 5874 1 16 . 1 1 12 12 THR CA C 530 66.320 66.320 67.155 -0.835 18091 5875 1 16 . 1 1 12 12 THR CB C 530 68.430 68.430 68.966 -0.536 18091 5876 1 16 . 1 1 12 12 THR H H 530 8.390 8.390 7.636 0.754 18091 5877 1 16 . 1 1 13 13 TYR N N 531 122.280 122.280 122.496 -0.216 18091 5878 1 16 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.967 -0.147 18091 5879 1 16 . 1 1 13 13 TYR C C 531 176.420 176.420 177.209 -0.789 18091 5880 1 16 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.111 -0.671 18091 5881 1 16 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.384 -0.274 18091 5882 1 16 . 1 1 13 13 TYR H H 531 8.050 8.050 7.878 0.172 18091 5883 1 16 . 1 1 14 14 GLN N N 532 116.250 116.250 117.726 -1.476 18091 5884 1 16 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.850 -0.160 18091 5885 1 16 . 1 1 14 14 GLN C C 532 178.800 178.800 178.454 0.346 18091 5886 1 16 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.785 -0.165 18091 5887 1 16 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.359 -0.299 18091 5888 1 16 . 1 1 14 14 GLN H H 532 8.010 8.010 8.014 -0.004 18091 5889 1 16 . 1 1 15 15 ARG N N 533 118.730 118.730 119.625 -0.895 18091 5890 1 16 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.018 -0.098 18091 5891 1 16 . 1 1 15 15 ARG C C 533 179.030 179.030 179.040 -0.010 18091 5892 1 16 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.377 0.763 18091 5893 1 16 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.584 0.215 18091 5894 1 16 . 1 1 15 15 ARG H H 533 7.800 7.800 7.801 -0.001 18091 5895 1 16 . 1 1 16 16 ALA N N 534 123.500 123.500 121.829 1.671 18091 5896 1 16 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.002 -0.042 18091 5897 1 16 . 1 1 16 16 ALA C C 534 178.860 178.860 179.507 -0.647 18091 5898 1 16 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.513 0.157 18091 5899 1 16 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.238 0.492 18091 5900 1 16 . 1 1 16 16 ALA H H 534 8.210 8.210 7.962 0.248 18091 5901 1 16 . 1 1 17 17 MET N N 535 111.910 111.910 116.468 -4.558 18091 5902 1 16 . 1 1 17 17 MET HA H 535 4.020 4.020 3.974 0.046 18091 5903 1 16 . 1 1 17 17 MET C C 535 176.890 176.890 177.116 -0.226 18091 5904 1 16 . 1 1 17 17 MET CA C 535 55.200 55.200 57.744 -2.544 18091 5905 1 16 . 1 1 17 17 MET CB C 535 31.110 31.110 32.423 -1.313 18091 5906 1 16 . 1 1 17 17 MET H H 535 7.480 7.480 7.783 -0.303 18091 5907 1 16 . 1 1 18 18 LYS N N 536 116.840 116.840 117.293 -0.453 18091 5908 1 16 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.085 -0.095 18091 5909 1 16 . 1 1 18 18 LYS C C 536 176.690 176.690 176.350 0.340 18091 5910 1 16 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.117 -0.527 18091 5911 1 16 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.371 -0.031 18091 5912 1 16 . 1 1 18 18 LYS H H 536 7.180 7.180 7.179 0.001 18091 5913 1 16 . 1 1 19 19 ASP N N 537 122.680 122.680 121.163 1.517 18091 5914 1 16 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.845 -0.045 18091 5915 1 16 . 1 1 19 19 ASP C C 537 174.720 174.720 175.364 -0.644 18091 5916 1 16 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.961 0.129 18091 5917 1 16 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.106 0.864 18091 5918 1 16 . 1 1 19 19 ASP H H 537 7.530 7.530 7.552 -0.022 18091 5919 1 16 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.206 -0.066 18091 5920 1 16 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.771 -0.021 18091 5921 1 16 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.093 0.027 18091 5922 1 16 . 1 1 21 21 GLU N N 539 118.590 118.590 117.940 0.650 18091 5923 1 16 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.033 -0.023 18091 5924 1 16 . 1 1 21 21 GLU C C 539 179.010 179.010 178.916 0.094 18091 5925 1 16 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.094 -0.244 18091 5926 1 16 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.230 0.110 18091 5927 1 16 . 1 1 21 21 GLU H H 539 8.200 8.200 7.831 0.369 18091 5928 1 16 . 1 1 22 22 VAL N N 540 120.690 120.690 120.391 0.299 18091 5929 1 16 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.557 -0.327 18091 5930 1 16 . 1 1 22 22 VAL C C 540 177.740 177.740 177.580 0.160 18091 5931 1 16 . 1 1 22 22 VAL CA C 540 66.090 66.090 67.000 -0.910 18091 5932 1 16 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.505 -0.155 18091 5933 1 16 . 1 1 22 22 VAL H H 540 7.350 7.350 7.872 -0.522 18091 5934 1 16 . 1 1 23 23 ALA N N 541 121.460 121.460 121.665 -0.205 18091 5935 1 16 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.883 -0.113 18091 5936 1 16 . 1 1 23 23 ALA C C 541 179.660 179.660 179.029 0.631 18091 5937 1 16 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.115 0.275 18091 5938 1 16 . 1 1 23 23 ALA CB C 541 17.710 17.710 17.943 -0.233 18091 5939 1 16 . 1 1 23 23 ALA H H 541 8.430 8.430 7.414 1.016 18091 5940 1 16 . 1 1 24 24 ALA N N 542 117.000 117.000 121.043 -4.043 18091 5941 1 16 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.087 -0.147 18091 5942 1 16 . 1 1 24 24 ALA C C 542 180.880 180.880 179.543 1.337 18091 5943 1 16 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.602 0.098 18091 5944 1 16 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.510 -0.560 18091 5945 1 16 . 1 1 24 24 ALA H H 542 7.380 7.380 7.576 -0.196 18091 5946 1 16 . 1 1 25 25 ILE N N 543 119.750 119.750 118.152 1.598 18091 5947 1 16 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.752 -0.062 18091 5948 1 16 . 1 1 25 25 ILE C C 543 177.450 177.450 178.535 -1.085 18091 5949 1 16 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.506 0.454 18091 5950 1 16 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.079 0.201 18091 5951 1 16 . 1 1 25 25 ILE H H 543 7.380 7.380 7.489 -0.109 18091 5952 1 16 . 1 1 26 26 MET N N 544 113.830 113.830 118.230 -4.400 18091 5953 1 16 . 1 1 26 26 MET HA H 544 4.140 4.140 4.108 0.032 18091 5954 1 16 . 1 1 26 26 MET C C 544 177.680 177.680 177.814 -0.134 18091 5955 1 16 . 1 1 26 26 MET CA C 544 55.660 55.660 58.864 -3.204 18091 5956 1 16 . 1 1 26 26 MET CB C 544 30.690 30.690 32.643 -1.953 18091 5957 1 16 . 1 1 26 26 MET H H 544 7.870 7.870 7.751 0.119 18091 5958 1 16 . 1 1 27 27 GLN N N 545 115.210 115.210 115.492 -0.282 18091 5959 1 16 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.324 -0.244 18091 5960 1 16 . 1 1 27 27 GLN C C 545 175.170 175.170 175.540 -0.370 18091 5961 1 16 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.821 -0.381 18091 5962 1 16 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.233 -0.243 18091 5963 1 16 . 1 1 27 27 GLN H H 545 7.340 7.340 7.450 -0.110 18091 5964 1 16 . 1 1 28 28 ASP N N 546 123.270 123.270 119.901 3.369 18091 5965 1 16 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.976 -0.256 18091 5966 1 16 . 1 1 28 28 ASP C C 546 175.220 175.220 175.334 -0.114 18091 5967 1 16 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.616 0.724 18091 5968 1 16 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.461 -0.081 18091 5969 1 16 . 1 1 28 28 ASP H H 546 7.320 7.320 7.612 -0.292 18091 5970 1 16 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.402 -0.282 18091 5971 1 16 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.057 0.863 18091 5972 1 16 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.486 -0.226 18091 5973 1 16 . 1 1 30 30 VAL N N 548 119.870 119.870 119.478 0.392 18091 5974 1 16 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.700 -0.120 18091 5975 1 16 . 1 1 30 30 VAL C C 548 179.010 179.010 177.940 1.070 18091 5976 1 16 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.018 -0.018 18091 5977 1 16 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.352 -0.242 18091 5978 1 16 . 1 1 30 30 VAL H H 548 8.000 8.000 7.930 0.070 18091 5979 1 16 . 1 1 31 31 MET N N 549 118.270 118.270 116.607 1.663 18091 5980 1 16 . 1 1 31 31 MET HA H 549 4.340 4.340 3.882 0.458 18091 5981 1 16 . 1 1 31 31 MET C C 549 178.830 178.830 178.390 0.440 18091 5982 1 16 . 1 1 31 31 MET CA C 549 55.140 55.140 59.469 -4.330 18091 5983 1 16 . 1 1 31 31 MET CB C 549 28.840 28.840 32.102 -3.262 18091 5984 1 16 . 1 1 31 31 MET H H 549 7.250 7.250 7.567 -0.317 18091 5985 1 16 . 1 1 32 32 GLN N N 550 118.190 118.190 118.550 -0.360 18091 5986 1 16 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.939 -0.199 18091 5987 1 16 . 1 1 32 32 GLN C C 550 178.840 178.840 178.391 0.449 18091 5988 1 16 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.120 0.300 18091 5989 1 16 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.291 -0.631 18091 5990 1 16 . 1 1 32 32 GLN H H 550 8.310 8.310 7.998 0.312 18091 5991 1 16 . 1 1 33 33 SER N N 551 114.010 114.010 115.495 -1.485 18091 5992 1 16 . 1 1 33 33 SER HA H 551 4.140 4.140 4.219 -0.079 18091 5993 1 16 . 1 1 33 33 SER C C 551 176.840 176.840 176.705 0.135 18091 5994 1 16 . 1 1 33 33 SER CA C 551 61.330 61.330 61.223 0.107 18091 5995 1 16 . 1 1 33 33 SER CB C 551 62.450 62.450 63.176 -0.726 18091 5996 1 16 . 1 1 33 33 SER H H 551 7.570 7.570 7.602 -0.032 18091 5997 1 16 . 1 1 34 34 ILE N N 552 123.490 123.490 123.223 0.267 18091 5998 1 16 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.513 -0.233 18091 5999 1 16 . 1 1 34 34 ILE C C 552 177.630 177.630 177.875 -0.245 18091 6000 1 16 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.792 0.888 18091 6001 1 16 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.342 0.379 18091 6002 1 16 . 1 1 34 34 ILE H H 552 7.600 7.600 7.528 0.072 18091 6003 1 16 . 1 1 35 35 LEU N N 553 119.520 119.520 119.590 -0.070 18091 6004 1 16 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.797 -0.047 18091 6005 1 16 . 1 1 35 35 LEU C C 553 179.440 179.440 179.243 0.197 18091 6006 1 16 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.128 -0.178 18091 6007 1 16 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.284 -0.584 18091 6008 1 16 . 1 1 35 35 LEU H H 553 8.330 8.330 7.638 0.692 18091 6009 1 16 . 1 1 36 36 GLN N N 554 118.590 118.590 117.865 0.725 18091 6010 1 16 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.113 -0.193 18091 6011 1 16 . 1 1 36 36 GLN C C 554 178.560 178.560 179.148 -0.588 18091 6012 1 16 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.876 -0.216 18091 6013 1 16 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.618 -0.558 18091 6014 1 16 . 1 1 36 36 GLN H H 554 7.800 7.800 7.835 -0.035 18091 6015 1 16 . 1 1 37 37 GLN N N 555 119.520 119.520 118.997 0.523 18091 6016 1 16 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.020 -0.090 18091 6017 1 16 . 1 1 37 37 GLN C C 555 178.400 178.400 178.558 -0.158 18091 6018 1 16 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.613 -0.083 18091 6019 1 16 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.636 0.154 18091 6020 1 16 . 1 1 37 37 GLN H H 555 7.990 7.990 8.086 -0.096 18091 6021 1 16 . 1 1 38 38 ALA N N 556 120.730 120.730 120.890 -0.160 18091 6022 1 16 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.286 -0.176 18091 6023 1 16 . 1 1 38 38 ALA C C 556 178.310 178.310 179.654 -1.344 18091 6024 1 16 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.611 -1.111 18091 6025 1 16 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.348 0.022 18091 6026 1 16 . 1 1 38 38 ALA H H 556 8.310 8.310 8.140 0.170 18091 6027 1 16 . 1 1 39 39 GLN N N 557 115.600 115.600 118.351 -2.751 18091 6028 1 16 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.047 -0.087 18091 6029 1 16 . 1 1 39 39 GLN C C 557 177.260 177.260 178.459 -1.199 18091 6030 1 16 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.275 -0.355 18091 6031 1 16 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.724 -0.244 18091 6032 1 16 . 1 1 39 39 GLN H H 557 7.530 7.530 7.762 -0.232 18091 6033 1 16 . 1 1 40 40 GLN N N 558 115.310 115.310 116.588 -1.278 18091 6034 1 16 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.216 -0.036 18091 6035 1 16 . 1 1 40 40 GLN C C 558 176.030 176.030 176.183 -0.153 18091 6036 1 16 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.451 -0.901 18091 6037 1 16 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.933 -0.614 18091 6038 1 16 . 1 1 40 40 GLN H H 558 7.350 7.350 7.635 -0.285 18091 6039 1 16 . 1 1 41 41 ASN N N 559 114.850 114.850 115.954 -1.104 18091 6040 1 16 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.034 -0.084 18091 6041 1 16 . 1 1 41 41 ASN C C 559 172.420 172.420 173.500 -1.080 18091 6042 1 16 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.224 -0.794 18091 6043 1 16 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.843 -1.963 18091 6044 1 16 . 1 1 41 41 ASN H H 559 7.900 7.900 7.985 -0.085 18091 6045 1 16 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.429 -0.100 18091 6046 1 16 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.031 -0.031 18091 6047 1 16 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.032 -0.352 18091 6048 1 16 . 1 1 43 43 ALA N N 561 119.920 119.920 121.196 -1.276 18091 6049 1 16 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.248 -0.118 18091 6050 1 16 . 1 1 43 43 ALA C C 561 179.510 179.510 179.108 0.402 18091 6051 1 16 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.141 -0.091 18091 6052 1 16 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.014 0.036 18091 6053 1 16 . 1 1 43 43 ALA H H 561 7.850 7.850 7.978 -0.128 18091 6054 1 16 . 1 1 44 44 ALA N N 562 120.790 120.790 120.426 0.364 18091 6055 1 16 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.011 0.009 18091 6056 1 16 . 1 1 44 44 ALA C C 562 179.570 179.570 179.189 0.381 18091 6057 1 16 . 1 1 44 44 ALA CA C 562 54.120 54.120 54.727 -0.607 18091 6058 1 16 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.644 -0.444 18091 6059 1 16 . 1 1 44 44 ALA H H 562 7.980 7.980 7.669 0.311 18091 6060 1 16 . 1 1 45 45 LEU N N 563 116.420 116.420 116.920 -0.500 18091 6061 1 16 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.438 -0.458 18091 6062 1 16 . 1 1 45 45 LEU C C 563 178.220 178.220 178.723 -0.503 18091 6063 1 16 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.321 0.319 18091 6064 1 16 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.361 0.329 18091 6065 1 16 . 1 1 45 45 LEU H H 563 7.510 7.510 7.473 0.037 18091 6066 1 16 . 1 1 46 46 GLN N N 564 115.510 115.510 119.243 -3.733 18091 6067 1 16 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091 6068 1 16 . 1 1 46 46 GLN C C 564 178.300 178.300 178.392 -0.092 18091 6069 1 16 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.453 -0.733 18091 6070 1 16 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.359 -0.339 18091 6071 1 16 . 1 1 46 46 GLN H H 564 7.510 7.510 7.617 -0.107 18091 6072 1 16 . 1 1 47 47 GLU N N 565 117.680 117.680 118.670 -0.990 18091 6073 1 16 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.938 -0.038 18091 6074 1 16 . 1 1 47 47 GLU C C 565 179.070 179.070 179.104 -0.034 18091 6075 1 16 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.958 -0.578 18091 6076 1 16 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.974 0.015 18091 6077 1 16 . 1 1 47 47 GLU H H 565 7.440 7.440 7.843 -0.403 18091 6078 1 16 . 1 1 48 48 HIS N N 566 118.220 118.220 119.101 -0.881 18091 6079 1 16 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.309 0.071 18091 6080 1 16 . 1 1 48 48 HIS C C 566 177.280 177.280 176.670 0.610 18091 6081 1 16 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.895 -0.035 18091 6082 1 16 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.714 1.726 18091 6083 1 16 . 1 1 48 48 HIS H H 566 7.420 7.420 7.608 -0.188 18091 6084 1 16 . 1 1 49 49 MET N N 567 115.200 115.200 117.578 -2.378 18091 6085 1 16 . 1 1 49 49 MET HA H 567 3.840 3.840 4.263 -0.423 18091 6086 1 16 . 1 1 49 49 MET C C 567 175.260 175.260 178.097 -2.837 18091 6087 1 16 . 1 1 49 49 MET CA C 567 57.840 57.840 58.595 -0.755 18091 6088 1 16 . 1 1 49 49 MET CB C 567 33.080 33.080 32.807 0.273 18091 6089 1 16 . 1 1 49 49 MET H H 567 7.710 7.710 7.883 -0.173 18091 6090 1 16 . 1 1 50 50 LYS N N 568 116.040 116.040 117.157 -1.117 18091 6091 1 16 . 1 1 50 50 LYS HA H 568 3.960 3.960 3.989 -0.029 18091 6092 1 16 . 1 1 50 50 LYS C C 568 176.220 176.220 177.337 -1.117 18091 6093 1 16 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.709 -0.319 18091 6094 1 16 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.486 -0.266 18091 6095 1 16 . 1 1 50 50 LYS H H 568 7.140 7.140 7.588 -0.448 18091 6096 1 16 . 1 1 51 51 ASN N N 569 119.600 119.600 119.369 0.231 18091 6097 1 16 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.706 0.314 18091 6098 1 16 . 1 1 51 51 ASN C C 569 173.920 173.920 175.090 -1.170 18091 6099 1 16 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.093 -2.143 18091 6100 1 16 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.448 -0.448 18091 6101 1 16 . 1 1 51 51 ASN H H 569 7.480 7.480 7.765 -0.285 18091 6102 1 16 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.275 -0.015 18091 6103 1 16 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.957 -0.847 18091 6104 1 16 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.137 0.133 18091 6105 1 16 . 1 1 53 53 GLU N N 571 116.870 116.870 119.090 -2.220 18091 6106 1 16 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.142 -0.072 18091 6107 1 16 . 1 1 53 53 GLU C C 571 178.830 178.830 178.958 -0.128 18091 6108 1 16 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.694 -0.814 18091 6109 1 16 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.409 0.021 18091 6110 1 16 . 1 1 53 53 GLU H H 571 7.960 7.960 8.661 -0.701 18091 6111 1 16 . 1 1 54 54 VAL N N 572 118.290 118.290 119.361 -1.071 18091 6112 1 16 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.837 -0.177 18091 6113 1 16 . 1 1 54 54 VAL C C 572 177.620 177.620 177.803 -0.183 18091 6114 1 16 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.242 -0.142 18091 6115 1 16 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.290 0.920 18091 6116 1 16 . 1 1 54 54 VAL H H 572 7.330 7.330 7.867 -0.537 18091 6117 1 16 . 1 1 55 55 PHE N N 573 121.090 121.090 122.323 -1.233 18091 6118 1 16 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.209 -0.319 18091 6119 1 16 . 1 1 55 55 PHE C C 573 176.760 176.760 177.111 -0.351 18091 6120 1 16 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.598 0.632 18091 6121 1 16 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.905 -0.285 18091 6122 1 16 . 1 1 55 55 PHE H H 573 8.700 8.700 8.847 -0.147 18091 6123 1 16 . 1 1 56 56 LYS N N 574 116.910 116.910 118.286 -1.376 18091 6124 1 16 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.639 0.151 18091 6125 1 16 . 1 1 56 56 LYS C C 574 178.980 178.980 178.923 0.057 18091 6126 1 16 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.808 -0.328 18091 6127 1 16 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.145 0.055 18091 6128 1 16 . 1 1 56 56 LYS H H 574 7.800 7.800 7.845 -0.045 18091 6129 1 16 . 1 1 57 57 LYS N N 575 119.120 119.120 119.564 -0.444 18091 6130 1 16 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.001 -0.091 18091 6131 1 16 . 1 1 57 57 LYS C C 575 178.520 178.520 179.081 -0.561 18091 6132 1 16 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.456 0.494 18091 6133 1 16 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.420 0.640 18091 6134 1 16 . 1 1 57 57 LYS H H 575 7.170 7.170 7.249 -0.079 18091 6135 1 16 . 1 1 58 58 ILE N N 576 119.180 119.180 119.068 0.112 18091 6136 1 16 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.737 -0.417 18091 6137 1 16 . 1 1 58 58 ILE C C 576 177.820 177.820 178.236 -0.416 18091 6138 1 16 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.135 0.395 18091 6139 1 16 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.958 -0.708 18091 6140 1 16 . 1 1 58 58 ILE H H 576 8.300 8.300 8.507 -0.207 18091 6141 1 16 . 1 1 59 59 GLN N N 577 118.000 118.000 118.386 -0.386 18091 6142 1 16 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.855 -0.185 18091 6143 1 16 . 1 1 59 59 GLN C C 577 179.250 179.250 178.575 0.675 18091 6144 1 16 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.063 0.057 18091 6145 1 16 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.315 -0.475 18091 6146 1 16 . 1 1 59 59 GLN H H 577 8.180 8.180 7.850 0.330 18091 6147 1 16 . 1 1 60 60 THR N N 578 118.670 118.670 117.081 1.589 18091 6148 1 16 . 1 1 60 60 THR HA H 578 3.760 3.760 3.882 -0.122 18091 6149 1 16 . 1 1 60 60 THR C C 578 176.060 176.060 176.510 -0.450 18091 6150 1 16 . 1 1 60 60 THR CA C 578 66.890 66.890 67.320 -0.430 18091 6151 1 16 . 1 1 60 60 THR CB C 578 68.030 68.030 68.665 -0.635 18091 6152 1 16 . 1 1 60 60 THR H H 578 7.780 7.780 7.675 0.105 18091 6153 1 16 . 1 1 61 61 LEU N N 579 120.680 120.680 120.707 -0.027 18091 6154 1 16 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.037 -0.187 18091 6155 1 16 . 1 1 61 61 LEU C C 579 179.590 179.590 178.782 0.808 18091 6156 1 16 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.685 -0.035 18091 6157 1 16 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.458 -0.478 18091 6158 1 16 . 1 1 61 61 LEU H H 579 7.620 7.620 7.385 0.235 18091 6159 1 16 . 1 1 62 62 ILE N N 580 122.880 122.880 120.626 2.254 18091 6160 1 16 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.756 0.274 18091 6161 1 16 . 1 1 62 62 ILE C C 580 180.260 180.260 179.142 1.118 18091 6162 1 16 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.963 -0.233 18091 6163 1 16 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.712 0.598 18091 6164 1 16 . 1 1 62 62 ILE H H 580 8.540 8.540 7.564 0.977 18091 6165 1 16 . 1 1 63 63 ALA N N 581 124.510 124.510 123.026 1.484 18091 6166 1 16 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.098 -0.128 18091 6167 1 16 . 1 1 63 63 ALA C C 581 179.000 179.000 178.728 0.272 18091 6168 1 16 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.566 0.274 18091 6169 1 16 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.229 -0.729 18091 6170 1 16 . 1 1 63 63 ALA H H 581 8.120 8.120 8.018 0.102 18091 6171 1 16 . 1 1 64 64 ALA N N 582 116.250 116.250 119.025 -2.775 18091 6172 1 16 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.229 -0.089 18091 6173 1 16 . 1 1 64 64 ALA C C 582 177.040 177.040 177.706 -0.666 18091 6174 1 16 . 1 1 64 64 ALA CA C 582 52.180 52.180 52.005 0.175 18091 6175 1 16 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.205 0.655 18091 6176 1 16 . 1 1 64 64 ALA H H 582 7.470 7.470 7.467 0.003 18091 6177 1 16 . 1 1 65 65 GLY N N 583 104.540 104.540 106.227 -1.687 18091 6178 1 16 . 1 1 65 65 GLY C C 583 174.180 174.180 175.577 -1.397 18091 6179 1 16 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.911 -1.121 18091 6180 1 16 . 1 1 65 65 GLY H H 583 7.600 7.600 7.612 -0.012 18091 6181 1 16 . 1 1 66 66 ILE N N 584 118.630 118.630 118.759 -0.129 18091 6182 1 16 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.167 -0.407 18091 6183 1 16 . 1 1 66 66 ILE C C 584 175.660 175.660 175.506 0.154 18091 6184 1 16 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.528 -0.978 18091 6185 1 16 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.865 -1.255 18091 6186 1 16 . 1 1 66 66 ILE H H 584 7.590 7.590 7.879 -0.289 18091 6187 1 16 . 1 1 67 67 ILE N N 585 116.360 116.360 117.767 -1.407 18091 6188 1 16 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.359 -0.189 18091 6189 1 16 . 1 1 67 67 ILE C C 585 174.370 174.370 175.725 -1.355 18091 6190 1 16 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.142 -0.663 18091 6191 1 16 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.486 -0.856 18091 6192 1 16 . 1 1 67 67 ILE H H 585 6.490 6.490 7.340 -0.850 18091 6193 1 16 . 1 1 68 68 ARG N N 586 125.450 125.450 122.382 3.068 18091 6194 1 16 . 1 1 68 68 ARG HA H 586 4.380 4.380 3.875 0.505 18091 6195 1 16 . 1 1 68 68 ARG C C 586 175.720 175.720 178.289 -2.569 18091 6196 1 16 . 1 1 68 68 ARG CA C 586 54.920 54.920 59.062 -4.142 18091 6197 1 16 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.660 2.660 18091 6198 1 16 . 1 1 68 68 ARG H H 586 8.500 8.500 8.982 -0.482 18091 6199 1 16 . 1 1 69 69 THR N N 587 113.710 113.710 113.456 0.254 18091 6200 1 16 . 1 1 69 69 THR HA H 587 4.300 4.300 4.117 0.183 18091 6201 1 16 . 1 1 69 69 THR C C 587 174.760 174.760 175.520 -0.760 18091 6202 1 16 . 1 1 69 69 THR CA C 587 61.300 61.300 64.962 -3.662 18091 6203 1 16 . 1 1 69 69 THR CB C 587 69.720 69.720 68.850 0.870 18091 6204 1 16 . 1 1 69 69 THR H H 587 8.250 8.250 8.242 0.008 18091 6205 1 16 . 1 1 70 70 GLY N N 588 110.720 110.720 110.419 0.301 18091 6206 1 16 . 1 1 70 70 GLY C C 588 172.820 172.820 173.047 -0.227 18091 6207 1 16 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.830 0.330 18091 6208 1 16 . 1 1 70 70 GLY H H 588 8.230 8.230 7.667 0.563 18091 6209 1 17 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.518 -0.287 18091 6210 1 17 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.002 0.248 18091 6211 1 17 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.157 -0.197 18091 6212 1 17 . 1 1 3 3 GLY N N 521 109.400 109.400 109.473 -0.073 18091 6213 1 17 . 1 1 3 3 GLY C C 521 174.300 174.300 174.470 -0.170 18091 6214 1 17 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.280 -0.100 18091 6215 1 17 . 1 1 3 3 GLY H H 521 8.490 8.490 8.885 -0.395 18091 6216 1 17 . 1 1 4 4 THR N N 522 112.480 112.480 112.700 -0.220 18091 6217 1 17 . 1 1 4 4 THR HA H 522 4.300 4.300 4.421 -0.121 18091 6218 1 17 . 1 1 4 4 THR C C 522 174.690 174.690 175.128 -0.438 18091 6219 1 17 . 1 1 4 4 THR CA C 522 61.240 61.240 61.781 -0.540 18091 6220 1 17 . 1 1 4 4 THR CB C 522 69.960 69.960 69.631 0.329 18091 6221 1 17 . 1 1 4 4 THR H H 522 7.860 7.860 7.980 -0.120 18091 6222 1 17 . 1 1 5 5 SER N N 523 117.450 117.450 118.483 -1.033 18091 6223 1 17 . 1 1 5 5 SER HA H 523 3.890 3.890 4.617 -0.727 18091 6224 1 17 . 1 1 5 5 SER C C 523 173.320 173.320 173.349 -0.029 18091 6225 1 17 . 1 1 5 5 SER CA C 523 58.460 58.460 57.668 0.792 18091 6226 1 17 . 1 1 5 5 SER CB C 523 63.690 63.690 65.323 -1.633 18091 6227 1 17 . 1 1 5 5 SER H H 523 8.300 8.300 8.042 0.258 18091 6228 1 17 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.622 -0.272 18091 6229 1 17 . 1 1 6 6 ASN C C 524 174.670 174.670 174.700 -0.030 18091 6230 1 17 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.190 -0.130 18091 6231 1 17 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.605 0.105 18091 6232 1 17 . 1 1 7 7 GLU N N 525 120.970 120.970 124.865 -3.895 18091 6233 1 17 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.274 0.067 18091 6234 1 17 . 1 1 7 7 GLU C C 525 176.900 176.900 176.178 0.722 18091 6235 1 17 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.183 -1.143 18091 6236 1 17 . 1 1 7 7 GLU CB C 525 31.070 31.070 30.215 0.855 18091 6237 1 17 . 1 1 7 7 GLU H H 525 7.970 7.970 8.456 -0.486 18091 6238 1 17 . 1 1 8 8 THR N N 526 116.960 116.960 115.853 1.107 18091 6239 1 17 . 1 1 8 8 THR HA H 526 4.540 4.540 4.730 -0.190 18091 6240 1 17 . 1 1 8 8 THR C C 526 173.410 173.410 173.299 0.111 18091 6241 1 17 . 1 1 8 8 THR CA C 526 60.080 60.080 59.493 0.587 18091 6242 1 17 . 1 1 8 8 THR CB C 526 68.500 68.500 68.774 -0.274 18091 6243 1 17 . 1 1 8 8 THR H H 526 8.630 8.630 8.211 0.419 18091 6244 1 17 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.360 -0.170 18091 6245 1 17 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.827 0.283 18091 6246 1 17 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.002 -0.422 18091 6247 1 17 . 1 1 10 10 GLU N N 528 118.610 118.610 117.135 1.475 18091 6248 1 17 . 1 1 10 10 GLU HA H 528 3.980 3.980 3.942 0.038 18091 6249 1 17 . 1 1 10 10 GLU C C 528 178.550 178.550 178.841 -0.291 18091 6250 1 17 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.663 -0.083 18091 6251 1 17 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.055 -0.065 18091 6252 1 17 . 1 1 10 10 GLU H H 528 8.550 8.550 8.899 -0.349 18091 6253 1 17 . 1 1 11 11 GLU N N 529 121.090 121.090 120.109 0.981 18091 6254 1 17 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.289 -0.359 18091 6255 1 17 . 1 1 11 11 GLU C C 529 179.470 179.470 178.785 0.685 18091 6256 1 17 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.130 -0.180 18091 6257 1 17 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.696 -0.216 18091 6258 1 17 . 1 1 11 11 GLU H H 529 7.870 7.870 7.802 0.068 18091 6259 1 17 . 1 1 12 12 THR N N 530 118.050 118.050 117.226 0.824 18091 6260 1 17 . 1 1 12 12 THR HA H 530 3.750 3.750 4.014 -0.264 18091 6261 1 17 . 1 1 12 12 THR C C 530 175.770 175.770 176.652 -0.882 18091 6262 1 17 . 1 1 12 12 THR CA C 530 66.320 66.320 67.345 -1.025 18091 6263 1 17 . 1 1 12 12 THR CB C 530 68.430 68.430 68.972 -0.542 18091 6264 1 17 . 1 1 12 12 THR H H 530 8.390 8.390 7.519 0.871 18091 6265 1 17 . 1 1 13 13 TYR N N 531 122.280 122.280 120.911 1.369 18091 6266 1 17 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.057 -0.237 18091 6267 1 17 . 1 1 13 13 TYR C C 531 176.420 176.420 177.947 -1.527 18091 6268 1 17 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.390 0.050 18091 6269 1 17 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.931 0.179 18091 6270 1 17 . 1 1 13 13 TYR H H 531 8.050 8.050 8.099 -0.049 18091 6271 1 17 . 1 1 14 14 GLN N N 532 116.250 116.250 117.937 -1.687 18091 6272 1 17 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.925 -0.235 18091 6273 1 17 . 1 1 14 14 GLN C C 532 178.800 178.800 178.330 0.470 18091 6274 1 17 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.761 -0.141 18091 6275 1 17 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.272 -0.212 18091 6276 1 17 . 1 1 14 14 GLN H H 532 8.010 8.010 8.041 -0.031 18091 6277 1 17 . 1 1 15 15 ARG N N 533 118.730 118.730 120.728 -1.998 18091 6278 1 17 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.019 -0.099 18091 6279 1 17 . 1 1 15 15 ARG C C 533 179.030 179.030 178.945 0.085 18091 6280 1 17 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.032 0.108 18091 6281 1 17 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.205 -0.405 18091 6282 1 17 . 1 1 15 15 ARG H H 533 7.800 7.800 7.835 -0.035 18091 6283 1 17 . 1 1 16 16 ALA N N 534 123.500 123.500 122.442 1.058 18091 6284 1 17 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.070 -0.110 18091 6285 1 17 . 1 1 16 16 ALA C C 534 178.860 178.860 180.265 -1.405 18091 6286 1 17 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.838 -0.168 18091 6287 1 17 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.230 0.500 18091 6288 1 17 . 1 1 16 16 ALA H H 534 8.210 8.210 7.915 0.295 18091 6289 1 17 . 1 1 17 17 MET N N 535 111.910 111.910 115.061 -3.151 18091 6290 1 17 . 1 1 17 17 MET HA H 535 4.020 4.020 4.233 -0.213 18091 6291 1 17 . 1 1 17 17 MET C C 535 176.890 176.890 177.498 -0.608 18091 6292 1 17 . 1 1 17 17 MET CA C 535 55.200 55.200 57.030 -1.830 18091 6293 1 17 . 1 1 17 17 MET CB C 535 31.110 31.110 31.775 -0.665 18091 6294 1 17 . 1 1 17 17 MET H H 535 7.480 7.480 7.968 -0.488 18091 6295 1 17 . 1 1 18 18 LYS N N 536 116.840 116.840 116.768 0.072 18091 6296 1 17 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.194 -0.204 18091 6297 1 17 . 1 1 18 18 LYS C C 536 176.690 176.690 176.626 0.064 18091 6298 1 17 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.008 -0.418 18091 6299 1 17 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.569 -0.229 18091 6300 1 17 . 1 1 18 18 LYS H H 536 7.180 7.180 7.330 -0.150 18091 6301 1 17 . 1 1 19 19 ASP N N 537 122.680 122.680 121.158 1.522 18091 6302 1 17 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.901 -0.101 18091 6303 1 17 . 1 1 19 19 ASP C C 537 174.720 174.720 175.297 -0.577 18091 6304 1 17 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.024 0.066 18091 6305 1 17 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.315 0.656 18091 6306 1 17 . 1 1 19 19 ASP H H 537 7.530 7.530 7.666 -0.136 18091 6307 1 17 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.227 -0.087 18091 6308 1 17 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.896 -0.146 18091 6309 1 17 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.158 -0.038 18091 6310 1 17 . 1 1 21 21 GLU N N 539 118.590 118.590 117.904 0.686 18091 6311 1 17 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.059 -0.049 18091 6312 1 17 . 1 1 21 21 GLU C C 539 179.010 179.010 179.081 -0.071 18091 6313 1 17 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.184 -0.334 18091 6314 1 17 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.313 0.027 18091 6315 1 17 . 1 1 21 21 GLU H H 539 8.200 8.200 7.918 0.282 18091 6316 1 17 . 1 1 22 22 VAL N N 540 120.690 120.690 120.393 0.297 18091 6317 1 17 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.524 -0.294 18091 6318 1 17 . 1 1 22 22 VAL C C 540 177.740 177.740 177.700 0.040 18091 6319 1 17 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.340 -0.250 18091 6320 1 17 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.449 -0.099 18091 6321 1 17 . 1 1 22 22 VAL H H 540 7.350 7.350 7.647 -0.297 18091 6322 1 17 . 1 1 23 23 ALA N N 541 121.460 121.460 122.459 -0.999 18091 6323 1 17 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.986 -0.216 18091 6324 1 17 . 1 1 23 23 ALA C C 541 179.660 179.660 179.370 0.290 18091 6325 1 17 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.016 0.374 18091 6326 1 17 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.288 -0.578 18091 6327 1 17 . 1 1 23 23 ALA H H 541 8.430 8.430 7.602 0.828 18091 6328 1 17 . 1 1 24 24 ALA N N 542 117.000 117.000 121.025 -4.025 18091 6329 1 17 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.119 -0.179 18091 6330 1 17 . 1 1 24 24 ALA C C 542 180.880 180.880 179.173 1.707 18091 6331 1 17 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.523 0.177 18091 6332 1 17 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.350 -0.400 18091 6333 1 17 . 1 1 24 24 ALA H H 542 7.380 7.380 7.603 -0.223 18091 6334 1 17 . 1 1 25 25 ILE N N 543 119.750 119.750 118.511 1.239 18091 6335 1 17 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.774 -0.084 18091 6336 1 17 . 1 1 25 25 ILE C C 543 177.450 177.450 178.495 -1.045 18091 6337 1 17 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.458 0.502 18091 6338 1 17 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.204 0.076 18091 6339 1 17 . 1 1 25 25 ILE H H 543 7.380 7.380 7.393 -0.013 18091 6340 1 17 . 1 1 26 26 MET N N 544 113.830 113.830 117.661 -3.831 18091 6341 1 17 . 1 1 26 26 MET HA H 544 4.140 4.140 4.097 0.043 18091 6342 1 17 . 1 1 26 26 MET C C 544 177.680 177.680 177.805 -0.125 18091 6343 1 17 . 1 1 26 26 MET CA C 544 55.660 55.660 58.651 -2.991 18091 6344 1 17 . 1 1 26 26 MET CB C 544 30.690 30.690 32.689 -1.999 18091 6345 1 17 . 1 1 26 26 MET H H 544 7.870 7.870 7.725 0.145 18091 6346 1 17 . 1 1 27 27 GLN N N 545 115.210 115.210 115.611 -0.401 18091 6347 1 17 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.309 -0.229 18091 6348 1 17 . 1 1 27 27 GLN C C 545 175.170 175.170 175.543 -0.373 18091 6349 1 17 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.018 -0.578 18091 6350 1 17 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.344 -0.354 18091 6351 1 17 . 1 1 27 27 GLN H H 545 7.340 7.340 7.424 -0.084 18091 6352 1 17 . 1 1 28 28 ASP N N 546 123.270 123.270 119.495 3.775 18091 6353 1 17 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.003 -0.283 18091 6354 1 17 . 1 1 28 28 ASP C C 546 175.220 175.220 175.109 0.111 18091 6355 1 17 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.582 0.758 18091 6356 1 17 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.648 -0.268 18091 6357 1 17 . 1 1 28 28 ASP H H 546 7.320 7.320 7.726 -0.406 18091 6358 1 17 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.358 -0.238 18091 6359 1 17 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.004 0.916 18091 6360 1 17 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.633 -0.373 18091 6361 1 17 . 1 1 30 30 VAL N N 548 119.870 119.870 119.589 0.281 18091 6362 1 17 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.610 -0.030 18091 6363 1 17 . 1 1 30 30 VAL C C 548 179.010 179.010 177.732 1.278 18091 6364 1 17 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.595 -0.595 18091 6365 1 17 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.570 -0.460 18091 6366 1 17 . 1 1 30 30 VAL H H 548 8.000 8.000 7.727 0.273 18091 6367 1 17 . 1 1 31 31 MET N N 549 118.270 118.270 117.124 1.146 18091 6368 1 17 . 1 1 31 31 MET HA H 549 4.340 4.340 3.973 0.367 18091 6369 1 17 . 1 1 31 31 MET C C 549 178.830 178.830 178.286 0.544 18091 6370 1 17 . 1 1 31 31 MET CA C 549 55.140 55.140 58.738 -3.598 18091 6371 1 17 . 1 1 31 31 MET CB C 549 28.840 28.840 32.240 -3.400 18091 6372 1 17 . 1 1 31 31 MET H H 549 7.250 7.250 7.796 -0.546 18091 6373 1 17 . 1 1 32 32 GLN N N 550 118.190 118.190 119.215 -1.025 18091 6374 1 17 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.923 -0.183 18091 6375 1 17 . 1 1 32 32 GLN C C 550 178.840 178.840 178.518 0.322 18091 6376 1 17 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.113 0.307 18091 6377 1 17 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.388 -0.728 18091 6378 1 17 . 1 1 32 32 GLN H H 550 8.310 8.310 8.444 -0.134 18091 6379 1 17 . 1 1 33 33 SER N N 551 114.010 114.010 116.079 -2.069 18091 6380 1 17 . 1 1 33 33 SER HA H 551 4.140 4.140 4.148 -0.008 18091 6381 1 17 . 1 1 33 33 SER C C 551 176.840 176.840 176.638 0.202 18091 6382 1 17 . 1 1 33 33 SER CA C 551 61.330 61.330 62.320 -0.990 18091 6383 1 17 . 1 1 33 33 SER CB C 551 62.450 62.450 62.962 -0.512 18091 6384 1 17 . 1 1 33 33 SER H H 551 7.570 7.570 7.686 -0.116 18091 6385 1 17 . 1 1 34 34 ILE N N 552 123.490 123.490 122.912 0.578 18091 6386 1 17 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.707 -0.427 18091 6387 1 17 . 1 1 34 34 ILE C C 552 177.630 177.630 178.012 -0.382 18091 6388 1 17 . 1 1 34 34 ILE CA C 552 65.680 65.680 64.954 0.726 18091 6389 1 17 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.458 0.263 18091 6390 1 17 . 1 1 34 34 ILE H H 552 7.600 7.600 7.475 0.125 18091 6391 1 17 . 1 1 35 35 LEU N N 553 119.520 119.520 119.364 0.156 18091 6392 1 17 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.795 -0.045 18091 6393 1 17 . 1 1 35 35 LEU C C 553 179.440 179.440 179.009 0.431 18091 6394 1 17 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.037 -0.087 18091 6395 1 17 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.224 -0.524 18091 6396 1 17 . 1 1 35 35 LEU H H 553 8.330 8.330 7.798 0.532 18091 6397 1 17 . 1 1 36 36 GLN N N 554 118.590 118.590 118.614 -0.024 18091 6398 1 17 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.854 0.066 18091 6399 1 17 . 1 1 36 36 GLN C C 554 178.560 178.560 178.525 0.035 18091 6400 1 17 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.265 -0.605 18091 6401 1 17 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.534 -0.474 18091 6402 1 17 . 1 1 36 36 GLN H H 554 7.800 7.800 7.788 0.012 18091 6403 1 17 . 1 1 37 37 GLN N N 555 119.520 119.520 118.647 0.873 18091 6404 1 17 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.216 -0.286 18091 6405 1 17 . 1 1 37 37 GLN C C 555 178.400 178.400 178.621 -0.221 18091 6406 1 17 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.671 -0.141 18091 6407 1 17 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.666 0.124 18091 6408 1 17 . 1 1 37 37 GLN H H 555 7.990 7.990 8.040 -0.050 18091 6409 1 17 . 1 1 38 38 ALA N N 556 120.730 120.730 121.480 -0.750 18091 6410 1 17 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.351 -0.241 18091 6411 1 17 . 1 1 38 38 ALA C C 556 178.310 178.310 179.720 -1.410 18091 6412 1 17 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.821 -1.321 18091 6413 1 17 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.341 0.029 18091 6414 1 17 . 1 1 38 38 ALA H H 556 8.310 8.310 8.037 0.274 18091 6415 1 17 . 1 1 39 39 GLN N N 557 115.600 115.600 117.491 -1.891 18091 6416 1 17 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.005 -0.045 18091 6417 1 17 . 1 1 39 39 GLN C C 557 177.260 177.260 178.682 -1.422 18091 6418 1 17 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.283 -0.363 18091 6419 1 17 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.640 -0.160 18091 6420 1 17 . 1 1 39 39 GLN H H 557 7.530 7.530 7.739 -0.209 18091 6421 1 17 . 1 1 40 40 GLN N N 558 115.310 115.310 116.971 -1.661 18091 6422 1 17 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091 6423 1 17 . 1 1 40 40 GLN C C 558 176.030 176.030 176.437 -0.407 18091 6424 1 17 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.715 -1.165 18091 6425 1 17 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.855 -0.535 18091 6426 1 17 . 1 1 40 40 GLN H H 558 7.350 7.350 7.580 -0.230 18091 6427 1 17 . 1 1 41 41 ASN N N 559 114.850 114.850 114.936 -0.086 18091 6428 1 17 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091 6429 1 17 . 1 1 41 41 ASN C C 559 172.420 172.420 173.255 -0.835 18091 6430 1 17 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.585 -1.155 18091 6431 1 17 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.237 -2.357 18091 6432 1 17 . 1 1 41 41 ASN H H 559 7.900 7.900 8.097 -0.197 18091 6433 1 17 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.617 -0.287 18091 6434 1 17 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.763 0.237 18091 6435 1 17 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.303 -0.623 18091 6436 1 17 . 1 1 43 43 ALA N N 561 119.920 119.920 120.520 -0.600 18091 6437 1 17 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.402 -0.272 18091 6438 1 17 . 1 1 43 43 ALA C C 561 179.510 179.510 178.699 0.811 18091 6439 1 17 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.036 0.014 18091 6440 1 17 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.331 -0.281 18091 6441 1 17 . 1 1 43 43 ALA H H 561 7.850 7.850 7.624 0.226 18091 6442 1 17 . 1 1 44 44 ALA N N 562 120.790 120.790 121.790 -1.000 18091 6443 1 17 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.159 -0.139 18091 6444 1 17 . 1 1 44 44 ALA C C 562 179.570 179.570 179.705 -0.135 18091 6445 1 17 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.076 -0.956 18091 6446 1 17 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.528 -0.328 18091 6447 1 17 . 1 1 44 44 ALA H H 562 7.980 7.980 7.682 0.298 18091 6448 1 17 . 1 1 45 45 LEU N N 563 116.420 116.420 116.904 -0.484 18091 6449 1 17 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.383 -0.403 18091 6450 1 17 . 1 1 45 45 LEU C C 563 178.220 178.220 178.811 -0.591 18091 6451 1 17 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.647 0.993 18091 6452 1 17 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.437 1.253 18091 6453 1 17 . 1 1 45 45 LEU H H 563 7.510 7.510 7.867 -0.357 18091 6454 1 17 . 1 1 46 46 GLN N N 564 115.510 115.510 119.834 -4.324 18091 6455 1 17 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.939 -0.079 18091 6456 1 17 . 1 1 46 46 GLN C C 564 178.300 178.300 178.484 -0.184 18091 6457 1 17 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.400 -0.680 18091 6458 1 17 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.480 -0.460 18091 6459 1 17 . 1 1 46 46 GLN H H 564 7.510 7.510 7.957 -0.447 18091 6460 1 17 . 1 1 47 47 GLU N N 565 117.680 117.680 118.096 -0.416 18091 6461 1 17 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.963 -0.063 18091 6462 1 17 . 1 1 47 47 GLU C C 565 179.070 179.070 179.236 -0.166 18091 6463 1 17 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.862 -0.482 18091 6464 1 17 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.058 -0.068 18091 6465 1 17 . 1 1 47 47 GLU H H 565 7.440 7.440 7.842 -0.402 18091 6466 1 17 . 1 1 48 48 HIS N N 566 118.220 118.220 119.599 -1.379 18091 6467 1 17 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.369 0.011 18091 6468 1 17 . 1 1 48 48 HIS C C 566 177.280 177.280 177.951 -0.671 18091 6469 1 17 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.237 -0.377 18091 6470 1 17 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.835 1.605 18091 6471 1 17 . 1 1 48 48 HIS H H 566 7.420 7.420 7.505 -0.085 18091 6472 1 17 . 1 1 49 49 MET N N 567 115.200 115.200 118.421 -3.221 18091 6473 1 17 . 1 1 49 49 MET HA H 567 3.840 3.840 4.333 -0.493 18091 6474 1 17 . 1 1 49 49 MET C C 567 175.260 175.260 177.490 -2.230 18091 6475 1 17 . 1 1 49 49 MET CA C 567 57.840 57.840 58.559 -0.719 18091 6476 1 17 . 1 1 49 49 MET CB C 567 33.080 33.080 32.807 0.273 18091 6477 1 17 . 1 1 49 49 MET H H 567 7.710 7.710 7.980 -0.270 18091 6478 1 17 . 1 1 50 50 LYS N N 568 116.040 116.040 115.621 0.419 18091 6479 1 17 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.139 -0.179 18091 6480 1 17 . 1 1 50 50 LYS C C 568 176.220 176.220 177.125 -0.905 18091 6481 1 17 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.075 0.315 18091 6482 1 17 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.269 -0.049 18091 6483 1 17 . 1 1 50 50 LYS H H 568 7.140 7.140 7.665 -0.525 18091 6484 1 17 . 1 1 51 51 ASN N N 569 119.600 119.600 118.702 0.898 18091 6485 1 17 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.829 0.191 18091 6486 1 17 . 1 1 51 51 ASN C C 569 173.920 173.920 175.100 -1.180 18091 6487 1 17 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.641 -1.691 18091 6488 1 17 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.844 -0.845 18091 6489 1 17 . 1 1 51 51 ASN H H 569 7.480 7.480 7.436 0.044 18091 6490 1 17 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.284 -0.024 18091 6491 1 17 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.678 -0.568 18091 6492 1 17 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.097 0.173 18091 6493 1 17 . 1 1 53 53 GLU N N 571 116.870 116.870 119.412 -2.542 18091 6494 1 17 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.165 -0.095 18091 6495 1 17 . 1 1 53 53 GLU C C 571 178.830 178.830 178.990 -0.160 18091 6496 1 17 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.566 -0.687 18091 6497 1 17 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.445 -0.015 18091 6498 1 17 . 1 1 53 53 GLU H H 571 7.960 7.960 8.707 -0.747 18091 6499 1 17 . 1 1 54 54 VAL N N 572 118.290 118.290 119.411 -1.121 18091 6500 1 17 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.837 -0.177 18091 6501 1 17 . 1 1 54 54 VAL C C 572 177.620 177.620 178.007 -0.387 18091 6502 1 17 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.183 -1.083 18091 6503 1 17 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.261 0.949 18091 6504 1 17 . 1 1 54 54 VAL H H 572 7.330 7.330 7.970 -0.640 18091 6505 1 17 . 1 1 55 55 PHE N N 573 121.090 121.090 121.958 -0.868 18091 6506 1 17 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.020 -0.130 18091 6507 1 17 . 1 1 55 55 PHE C C 573 176.760 176.760 176.952 -0.192 18091 6508 1 17 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.274 -0.044 18091 6509 1 17 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.847 -0.227 18091 6510 1 17 . 1 1 55 55 PHE H H 573 8.700 8.700 8.657 0.043 18091 6511 1 17 . 1 1 56 56 LYS N N 574 116.910 116.910 118.874 -1.964 18091 6512 1 17 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.737 0.053 18091 6513 1 17 . 1 1 56 56 LYS C C 574 178.980 178.980 178.773 0.207 18091 6514 1 17 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.908 -0.428 18091 6515 1 17 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.314 -0.114 18091 6516 1 17 . 1 1 56 56 LYS H H 574 7.800 7.800 7.876 -0.076 18091 6517 1 17 . 1 1 57 57 LYS N N 575 119.120 119.120 119.177 -0.057 18091 6518 1 17 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091 6519 1 17 . 1 1 57 57 LYS C C 575 178.520 178.520 179.135 -0.615 18091 6520 1 17 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.508 0.442 18091 6521 1 17 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.411 0.649 18091 6522 1 17 . 1 1 57 57 LYS H H 575 7.170 7.170 7.294 -0.124 18091 6523 1 17 . 1 1 58 58 ILE N N 576 119.180 119.180 119.287 -0.107 18091 6524 1 17 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.740 -0.420 18091 6525 1 17 . 1 1 58 58 ILE C C 576 177.820 177.820 178.486 -0.666 18091 6526 1 17 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.130 0.400 18091 6527 1 17 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.019 -0.769 18091 6528 1 17 . 1 1 58 58 ILE H H 576 8.300 8.300 8.464 -0.164 18091 6529 1 17 . 1 1 59 59 GLN N N 577 118.000 118.000 118.223 -0.223 18091 6530 1 17 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.763 -0.093 18091 6531 1 17 . 1 1 59 59 GLN C C 577 179.250 179.250 178.441 0.809 18091 6532 1 17 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.262 -0.142 18091 6533 1 17 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.264 -0.424 18091 6534 1 17 . 1 1 59 59 GLN H H 577 8.180 8.180 7.741 0.439 18091 6535 1 17 . 1 1 60 60 THR N N 578 118.670 118.670 116.965 1.705 18091 6536 1 17 . 1 1 60 60 THR HA H 578 3.760 3.760 3.880 -0.120 18091 6537 1 17 . 1 1 60 60 THR C C 578 176.060 176.060 176.475 -0.415 18091 6538 1 17 . 1 1 60 60 THR CA C 578 66.890 66.890 67.190 -0.300 18091 6539 1 17 . 1 1 60 60 THR CB C 578 68.030 68.030 68.605 -0.575 18091 6540 1 17 . 1 1 60 60 THR H H 578 7.780 7.780 7.632 0.148 18091 6541 1 17 . 1 1 61 61 LEU N N 579 120.680 120.680 120.640 0.040 18091 6542 1 17 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.940 -0.090 18091 6543 1 17 . 1 1 61 61 LEU C C 579 179.590 179.590 178.609 0.981 18091 6544 1 17 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.618 0.032 18091 6545 1 17 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.371 -0.391 18091 6546 1 17 . 1 1 61 61 LEU H H 579 7.620 7.620 7.348 0.272 18091 6547 1 17 . 1 1 62 62 ILE N N 580 122.880 122.880 120.393 2.487 18091 6548 1 17 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.690 0.340 18091 6549 1 17 . 1 1 62 62 ILE C C 580 180.260 180.260 178.936 1.324 18091 6550 1 17 . 1 1 62 62 ILE CA C 580 64.730 64.730 65.037 -0.307 18091 6551 1 17 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.672 0.638 18091 6552 1 17 . 1 1 62 62 ILE H H 580 8.540 8.540 7.503 1.037 18091 6553 1 17 . 1 1 63 63 ALA N N 581 124.510 124.510 122.790 1.720 18091 6554 1 17 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.025 -0.055 18091 6555 1 17 . 1 1 63 63 ALA C C 581 179.000 179.000 178.787 0.213 18091 6556 1 17 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.747 0.093 18091 6557 1 17 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.301 -0.801 18091 6558 1 17 . 1 1 63 63 ALA H H 581 8.120 8.120 8.153 -0.033 18091 6559 1 17 . 1 1 64 64 ALA N N 582 116.250 116.250 118.572 -2.322 18091 6560 1 17 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.241 -0.101 18091 6561 1 17 . 1 1 64 64 ALA C C 582 177.040 177.040 177.719 -0.679 18091 6562 1 17 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.759 0.421 18091 6563 1 17 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.865 0.995 18091 6564 1 17 . 1 1 64 64 ALA H H 582 7.470 7.470 7.479 -0.009 18091 6565 1 17 . 1 1 65 65 GLY N N 583 104.540 104.540 106.259 -1.719 18091 6566 1 17 . 1 1 65 65 GLY C C 583 174.180 174.180 175.024 -0.844 18091 6567 1 17 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.899 -1.109 18091 6568 1 17 . 1 1 65 65 GLY H H 583 7.600 7.600 7.777 -0.177 18091 6569 1 17 . 1 1 66 66 ILE N N 584 118.630 118.630 117.657 0.973 18091 6570 1 17 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.754 0.006 18091 6571 1 17 . 1 1 66 66 ILE C C 584 175.660 175.660 175.420 0.240 18091 6572 1 17 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.473 -0.923 18091 6573 1 17 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.214 -0.604 18091 6574 1 17 . 1 1 66 66 ILE H H 584 7.590 7.590 7.694 -0.104 18091 6575 1 17 . 1 1 67 67 ILE N N 585 116.360 116.360 119.320 -2.960 18091 6576 1 17 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.296 -0.126 18091 6577 1 17 . 1 1 67 67 ILE C C 585 174.370 174.370 174.867 -0.497 18091 6578 1 17 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.058 -0.578 18091 6579 1 17 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.415 -0.785 18091 6580 1 17 . 1 1 67 67 ILE H H 585 6.490 6.490 7.256 -0.766 18091 6581 1 17 . 1 1 68 68 ARG N N 586 125.450 125.450 127.349 -1.899 18091 6582 1 17 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.631 -0.251 18091 6583 1 17 . 1 1 68 68 ARG C C 586 175.720 175.720 176.231 -0.511 18091 6584 1 17 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.770 -0.850 18091 6585 1 17 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.942 0.378 18091 6586 1 17 . 1 1 68 68 ARG H H 586 8.500 8.500 8.640 -0.140 18091 6587 1 17 . 1 1 69 69 THR N N 587 113.710 113.710 115.753 -2.043 18091 6588 1 17 . 1 1 69 69 THR HA H 587 4.300 4.300 4.584 -0.284 18091 6589 1 17 . 1 1 69 69 THR C C 587 174.760 174.760 175.094 -0.334 18091 6590 1 17 . 1 1 69 69 THR CA C 587 61.300 61.300 61.319 -0.019 18091 6591 1 17 . 1 1 69 69 THR CB C 587 69.720 69.720 70.540 -0.819 18091 6592 1 17 . 1 1 69 69 THR H H 587 8.250 8.250 8.351 -0.101 18091 6593 1 17 . 1 1 70 70 GLY N N 588 110.720 110.720 110.059 0.661 18091 6594 1 17 . 1 1 70 70 GLY C C 588 172.820 172.820 173.453 -0.633 18091 6595 1 17 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.281 0.880 18091 6596 1 17 . 1 1 70 70 GLY H H 588 8.230 8.230 8.273 -0.043 18091 6597 1 18 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.390 -0.160 18091 6598 1 18 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.244 0.006 18091 6599 1 18 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.014 -0.054 18091 6600 1 18 . 1 1 3 3 GLY N N 521 109.400 109.400 111.079 -1.679 18091 6601 1 18 . 1 1 3 3 GLY C C 521 174.300 174.300 175.147 -0.847 18091 6602 1 18 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.677 0.503 18091 6603 1 18 . 1 1 3 3 GLY H H 521 8.490 8.490 8.437 0.053 18091 6604 1 18 . 1 1 4 4 THR N N 522 112.480 112.480 111.810 0.670 18091 6605 1 18 . 1 1 4 4 THR HA H 522 4.300 4.300 4.247 0.053 18091 6606 1 18 . 1 1 4 4 THR C C 522 174.690 174.690 175.484 -0.794 18091 6607 1 18 . 1 1 4 4 THR CA C 522 61.240 61.240 62.745 -1.506 18091 6608 1 18 . 1 1 4 4 THR CB C 522 69.960 69.960 69.455 0.505 18091 6609 1 18 . 1 1 4 4 THR H H 522 7.860 7.860 8.036 -0.176 18091 6610 1 18 . 1 1 5 5 SER N N 523 117.450 117.450 117.390 0.060 18091 6611 1 18 . 1 1 5 5 SER HA H 523 3.890 3.890 4.530 -0.640 18091 6612 1 18 . 1 1 5 5 SER C C 523 173.320 173.320 173.750 -0.430 18091 6613 1 18 . 1 1 5 5 SER CA C 523 58.460 58.460 57.951 0.509 18091 6614 1 18 . 1 1 5 5 SER CB C 523 63.690 63.690 63.477 0.213 18091 6615 1 18 . 1 1 5 5 SER H H 523 8.300 8.300 7.868 0.432 18091 6616 1 18 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.855 -0.505 18091 6617 1 18 . 1 1 6 6 ASN C C 524 174.670 174.670 173.927 0.743 18091 6618 1 18 . 1 1 6 6 ASN CA C 524 53.060 53.060 52.815 0.245 18091 6619 1 18 . 1 1 6 6 ASN CB C 524 38.710 38.710 40.160 -1.450 18091 6620 1 18 . 1 1 7 7 GLU N N 525 120.970 120.970 119.182 1.788 18091 6621 1 18 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.035 0.305 18091 6622 1 18 . 1 1 7 7 GLU C C 525 176.900 176.900 174.765 2.135 18091 6623 1 18 . 1 1 7 7 GLU CA C 525 56.040 56.040 57.328 -1.288 18091 6624 1 18 . 1 1 7 7 GLU CB C 525 31.070 31.070 29.642 1.427 18091 6625 1 18 . 1 1 7 7 GLU H H 525 7.970 7.970 8.824 -0.854 18091 6626 1 18 . 1 1 8 8 THR N N 526 116.960 116.960 114.571 2.389 18091 6627 1 18 . 1 1 8 8 THR HA H 526 4.540 4.540 4.795 -0.255 18091 6628 1 18 . 1 1 8 8 THR C C 526 173.410 173.410 173.235 0.175 18091 6629 1 18 . 1 1 8 8 THR CA C 526 60.080 60.080 59.840 0.240 18091 6630 1 18 . 1 1 8 8 THR CB C 526 68.500 68.500 69.503 -1.003 18091 6631 1 18 . 1 1 8 8 THR H H 526 8.630 8.630 8.130 0.500 18091 6632 1 18 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.096 0.094 18091 6633 1 18 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.252 0.858 18091 6634 1 18 . 1 1 9 9 PRO CB C 527 31.580 31.580 32.094 -0.514 18091 6635 1 18 . 1 1 10 10 GLU N N 528 118.610 118.610 117.432 1.178 18091 6636 1 18 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.267 -0.287 18091 6637 1 18 . 1 1 10 10 GLU C C 528 178.550 178.550 178.544 0.006 18091 6638 1 18 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.740 -0.160 18091 6639 1 18 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.357 -0.367 18091 6640 1 18 . 1 1 10 10 GLU H H 528 8.550 8.550 8.941 -0.391 18091 6641 1 18 . 1 1 11 11 GLU N N 529 121.090 121.090 119.336 1.754 18091 6642 1 18 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.080 -0.150 18091 6643 1 18 . 1 1 11 11 GLU C C 529 179.470 179.470 178.729 0.741 18091 6644 1 18 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.149 -0.199 18091 6645 1 18 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.572 -0.092 18091 6646 1 18 . 1 1 11 11 GLU H H 529 7.870 7.870 7.604 0.266 18091 6647 1 18 . 1 1 12 12 THR N N 530 118.050 118.050 116.603 1.447 18091 6648 1 18 . 1 1 12 12 THR HA H 530 3.750 3.750 3.943 -0.193 18091 6649 1 18 . 1 1 12 12 THR C C 530 175.770 175.770 176.612 -0.842 18091 6650 1 18 . 1 1 12 12 THR CA C 530 66.320 66.320 67.338 -1.018 18091 6651 1 18 . 1 1 12 12 THR CB C 530 68.430 68.430 68.555 -0.125 18091 6652 1 18 . 1 1 12 12 THR H H 530 8.390 8.390 7.354 1.036 18091 6653 1 18 . 1 1 13 13 TYR N N 531 122.280 122.280 120.517 1.763 18091 6654 1 18 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.087 -0.267 18091 6655 1 18 . 1 1 13 13 TYR C C 531 176.420 176.420 178.286 -1.866 18091 6656 1 18 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.263 0.177 18091 6657 1 18 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.059 1.051 18091 6658 1 18 . 1 1 13 13 TYR H H 531 8.050 8.050 7.540 0.510 18091 6659 1 18 . 1 1 14 14 GLN N N 532 116.250 116.250 118.122 -1.872 18091 6660 1 18 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.921 -0.231 18091 6661 1 18 . 1 1 14 14 GLN C C 532 178.800 178.800 178.404 0.396 18091 6662 1 18 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.016 -0.396 18091 6663 1 18 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.461 -0.401 18091 6664 1 18 . 1 1 14 14 GLN H H 532 8.010 8.010 7.900 0.110 18091 6665 1 18 . 1 1 15 15 ARG N N 533 118.730 118.730 119.736 -1.006 18091 6666 1 18 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.009 -0.089 18091 6667 1 18 . 1 1 15 15 ARG C C 533 179.030 179.030 178.937 0.093 18091 6668 1 18 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.123 0.017 18091 6669 1 18 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.224 -0.424 18091 6670 1 18 . 1 1 15 15 ARG H H 533 7.800 7.800 7.836 -0.036 18091 6671 1 18 . 1 1 16 16 ALA N N 534 123.500 123.500 121.820 1.680 18091 6672 1 18 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.024 -0.064 18091 6673 1 18 . 1 1 16 16 ALA C C 534 178.860 178.860 179.812 -0.952 18091 6674 1 18 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.957 -0.287 18091 6675 1 18 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.510 0.220 18091 6676 1 18 . 1 1 16 16 ALA H H 534 8.210 8.210 7.935 0.275 18091 6677 1 18 . 1 1 17 17 MET N N 535 111.910 111.910 115.302 -3.392 18091 6678 1 18 . 1 1 17 17 MET HA H 535 4.020 4.020 4.207 -0.187 18091 6679 1 18 . 1 1 17 17 MET C C 535 176.890 176.890 177.508 -0.618 18091 6680 1 18 . 1 1 17 17 MET CA C 535 55.200 55.200 57.243 -2.043 18091 6681 1 18 . 1 1 17 17 MET CB C 535 31.110 31.110 31.764 -0.654 18091 6682 1 18 . 1 1 17 17 MET H H 535 7.480 7.480 8.054 -0.574 18091 6683 1 18 . 1 1 18 18 LYS N N 536 116.840 116.840 116.839 0.001 18091 6684 1 18 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.164 -0.174 18091 6685 1 18 . 1 1 18 18 LYS C C 536 176.690 176.690 176.641 0.049 18091 6686 1 18 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.117 -0.527 18091 6687 1 18 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.511 -0.171 18091 6688 1 18 . 1 1 18 18 LYS H H 536 7.180 7.180 7.276 -0.096 18091 6689 1 18 . 1 1 19 19 ASP N N 537 122.680 122.680 121.187 1.493 18091 6690 1 18 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.903 -0.103 18091 6691 1 18 . 1 1 19 19 ASP C C 537 174.720 174.720 175.799 -1.079 18091 6692 1 18 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.225 -0.135 18091 6693 1 18 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.658 0.312 18091 6694 1 18 . 1 1 19 19 ASP H H 537 7.530 7.530 7.661 -0.131 18091 6695 1 18 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.237 -0.097 18091 6696 1 18 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.720 0.030 18091 6697 1 18 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.203 -0.083 18091 6698 1 18 . 1 1 21 21 GLU N N 539 118.590 118.590 117.965 0.625 18091 6699 1 18 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.052 -0.042 18091 6700 1 18 . 1 1 21 21 GLU C C 539 179.010 179.010 179.040 -0.030 18091 6701 1 18 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.255 -0.405 18091 6702 1 18 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.258 0.082 18091 6703 1 18 . 1 1 21 21 GLU H H 539 8.200 8.200 7.928 0.272 18091 6704 1 18 . 1 1 22 22 VAL N N 540 120.690 120.690 120.099 0.591 18091 6705 1 18 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.646 -0.416 18091 6706 1 18 . 1 1 22 22 VAL C C 540 177.740 177.740 177.921 -0.181 18091 6707 1 18 . 1 1 22 22 VAL CA C 540 66.090 66.090 65.459 0.631 18091 6708 1 18 . 1 1 22 22 VAL CB C 540 31.350 31.350 30.869 0.481 18091 6709 1 18 . 1 1 22 22 VAL H H 540 7.350 7.350 7.713 -0.363 18091 6710 1 18 . 1 1 23 23 ALA N N 541 121.460 121.460 122.616 -1.156 18091 6711 1 18 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.969 -0.199 18091 6712 1 18 . 1 1 23 23 ALA C C 541 179.660 179.660 179.329 0.331 18091 6713 1 18 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.129 0.261 18091 6714 1 18 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.292 -0.582 18091 6715 1 18 . 1 1 23 23 ALA H H 541 8.430 8.430 7.485 0.945 18091 6716 1 18 . 1 1 24 24 ALA N N 542 117.000 117.000 120.986 -3.986 18091 6717 1 18 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.033 -0.093 18091 6718 1 18 . 1 1 24 24 ALA C C 542 180.880 180.880 179.547 1.333 18091 6719 1 18 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.656 0.044 18091 6720 1 18 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.556 -0.606 18091 6721 1 18 . 1 1 24 24 ALA H H 542 7.380 7.380 7.687 -0.307 18091 6722 1 18 . 1 1 25 25 ILE N N 543 119.750 119.750 117.829 1.921 18091 6723 1 18 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.725 -0.035 18091 6724 1 18 . 1 1 25 25 ILE C C 543 177.450 177.450 178.631 -1.181 18091 6725 1 18 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.757 0.203 18091 6726 1 18 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.156 0.124 18091 6727 1 18 . 1 1 25 25 ILE H H 543 7.380 7.380 7.568 -0.188 18091 6728 1 18 . 1 1 26 26 MET N N 544 113.830 113.830 118.157 -4.327 18091 6729 1 18 . 1 1 26 26 MET HA H 544 4.140 4.140 4.079 0.061 18091 6730 1 18 . 1 1 26 26 MET C C 544 177.680 177.680 177.786 -0.106 18091 6731 1 18 . 1 1 26 26 MET CA C 544 55.660 55.660 58.751 -3.091 18091 6732 1 18 . 1 1 26 26 MET CB C 544 30.690 30.690 32.641 -1.951 18091 6733 1 18 . 1 1 26 26 MET H H 544 7.870 7.870 7.756 0.114 18091 6734 1 18 . 1 1 27 27 GLN N N 545 115.210 115.210 115.586 -0.376 18091 6735 1 18 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.292 -0.212 18091 6736 1 18 . 1 1 27 27 GLN C C 545 175.170 175.170 175.586 -0.416 18091 6737 1 18 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.900 -0.460 18091 6738 1 18 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.205 -0.215 18091 6739 1 18 . 1 1 27 27 GLN H H 545 7.340 7.340 7.418 -0.078 18091 6740 1 18 . 1 1 28 28 ASP N N 546 123.270 123.270 119.883 3.387 18091 6741 1 18 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.993 -0.273 18091 6742 1 18 . 1 1 28 28 ASP C C 546 175.220 175.220 175.282 -0.062 18091 6743 1 18 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.631 0.709 18091 6744 1 18 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.510 -0.130 18091 6745 1 18 . 1 1 28 28 ASP H H 546 7.320 7.320 7.740 -0.420 18091 6746 1 18 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.338 -0.218 18091 6747 1 18 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.065 0.855 18091 6748 1 18 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.417 -0.157 18091 6749 1 18 . 1 1 30 30 VAL N N 548 119.870 119.870 120.036 -0.166 18091 6750 1 18 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.665 -0.085 18091 6751 1 18 . 1 1 30 30 VAL C C 548 179.010 179.010 177.900 1.110 18091 6752 1 18 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.353 -0.353 18091 6753 1 18 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.361 -0.251 18091 6754 1 18 . 1 1 30 30 VAL H H 548 8.000 8.000 7.954 0.046 18091 6755 1 18 . 1 1 31 31 MET N N 549 118.270 118.270 117.013 1.257 18091 6756 1 18 . 1 1 31 31 MET HA H 549 4.340 4.340 3.960 0.380 18091 6757 1 18 . 1 1 31 31 MET C C 549 178.830 178.830 178.259 0.571 18091 6758 1 18 . 1 1 31 31 MET CA C 549 55.140 55.140 59.362 -4.222 18091 6759 1 18 . 1 1 31 31 MET CB C 549 28.840 28.840 31.973 -3.133 18091 6760 1 18 . 1 1 31 31 MET H H 549 7.250 7.250 7.547 -0.297 18091 6761 1 18 . 1 1 32 32 GLN N N 550 118.190 118.190 118.353 -0.163 18091 6762 1 18 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.978 -0.238 18091 6763 1 18 . 1 1 32 32 GLN C C 550 178.840 178.840 178.673 0.167 18091 6764 1 18 . 1 1 32 32 GLN CA C 550 59.420 59.420 58.906 0.514 18091 6765 1 18 . 1 1 32 32 GLN CB C 550 27.660 27.660 27.747 -0.087 18091 6766 1 18 . 1 1 32 32 GLN H H 550 8.310 8.310 7.941 0.369 18091 6767 1 18 . 1 1 33 33 SER N N 551 114.010 114.010 115.631 -1.621 18091 6768 1 18 . 1 1 33 33 SER HA H 551 4.140 4.140 4.367 -0.227 18091 6769 1 18 . 1 1 33 33 SER C C 551 176.840 176.840 176.722 0.118 18091 6770 1 18 . 1 1 33 33 SER CA C 551 61.330 61.330 61.367 -0.037 18091 6771 1 18 . 1 1 33 33 SER CB C 551 62.450 62.450 62.963 -0.513 18091 6772 1 18 . 1 1 33 33 SER H H 551 7.570 7.570 7.479 0.091 18091 6773 1 18 . 1 1 34 34 ILE N N 552 123.490 123.490 121.943 1.547 18091 6774 1 18 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.462 -0.182 18091 6775 1 18 . 1 1 34 34 ILE C C 552 177.630 177.630 177.577 0.053 18091 6776 1 18 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.109 0.571 18091 6777 1 18 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.467 0.253 18091 6778 1 18 . 1 1 34 34 ILE H H 552 7.600 7.600 7.605 -0.005 18091 6779 1 18 . 1 1 35 35 LEU N N 553 119.520 119.520 119.548 -0.028 18091 6780 1 18 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.789 -0.039 18091 6781 1 18 . 1 1 35 35 LEU C C 553 179.440 179.440 179.230 0.210 18091 6782 1 18 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.115 -0.165 18091 6783 1 18 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.250 -0.550 18091 6784 1 18 . 1 1 35 35 LEU H H 553 8.330 8.330 7.693 0.637 18091 6785 1 18 . 1 1 36 36 GLN N N 554 118.590 118.590 117.589 1.001 18091 6786 1 18 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.878 0.042 18091 6787 1 18 . 1 1 36 36 GLN C C 554 178.560 178.560 178.793 -0.233 18091 6788 1 18 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.173 -0.513 18091 6789 1 18 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.434 -0.374 18091 6790 1 18 . 1 1 36 36 GLN H H 554 7.800 7.800 7.774 0.026 18091 6791 1 18 . 1 1 37 37 GLN N N 555 119.520 119.520 119.023 0.497 18091 6792 1 18 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.043 -0.113 18091 6793 1 18 . 1 1 37 37 GLN C C 555 178.400 178.400 178.636 -0.236 18091 6794 1 18 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.744 -0.214 18091 6795 1 18 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.759 0.031 18091 6796 1 18 . 1 1 37 37 GLN H H 555 7.990 7.990 8.033 -0.043 18091 6797 1 18 . 1 1 38 38 ALA N N 556 120.730 120.730 120.934 -0.204 18091 6798 1 18 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.288 -0.178 18091 6799 1 18 . 1 1 38 38 ALA C C 556 178.310 178.310 179.837 -1.527 18091 6800 1 18 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.704 -1.204 18091 6801 1 18 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.325 0.045 18091 6802 1 18 . 1 1 38 38 ALA H H 556 8.310 8.310 8.214 0.096 18091 6803 1 18 . 1 1 39 39 GLN N N 557 115.600 115.600 118.411 -2.811 18091 6804 1 18 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.033 -0.073 18091 6805 1 18 . 1 1 39 39 GLN C C 557 177.260 177.260 178.421 -1.161 18091 6806 1 18 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.277 -0.357 18091 6807 1 18 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.654 -0.174 18091 6808 1 18 . 1 1 39 39 GLN H H 557 7.530 7.530 7.758 -0.228 18091 6809 1 18 . 1 1 40 40 GLN N N 558 115.310 115.310 116.486 -1.176 18091 6810 1 18 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.210 -0.030 18091 6811 1 18 . 1 1 40 40 GLN C C 558 176.030 176.030 176.131 -0.101 18091 6812 1 18 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.438 -0.888 18091 6813 1 18 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.979 -0.659 18091 6814 1 18 . 1 1 40 40 GLN H H 558 7.350 7.350 7.629 -0.279 18091 6815 1 18 . 1 1 41 41 ASN N N 559 114.850 114.850 115.870 -1.020 18091 6816 1 18 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.042 -0.092 18091 6817 1 18 . 1 1 41 41 ASN C C 559 172.420 172.420 173.519 -1.099 18091 6818 1 18 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.453 -1.023 18091 6819 1 18 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.987 -2.107 18091 6820 1 18 . 1 1 41 41 ASN H H 559 7.900 7.900 7.987 -0.087 18091 6821 1 18 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.536 -0.206 18091 6822 1 18 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.795 0.205 18091 6823 1 18 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.189 -0.509 18091 6824 1 18 . 1 1 43 43 ALA N N 561 119.920 119.920 120.447 -0.527 18091 6825 1 18 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.129 0.001 18091 6826 1 18 . 1 1 43 43 ALA C C 561 179.510 179.510 179.186 0.324 18091 6827 1 18 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.485 -0.435 18091 6828 1 18 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.112 -0.062 18091 6829 1 18 . 1 1 43 43 ALA H H 561 7.850 7.850 7.622 0.228 18091 6830 1 18 . 1 1 44 44 ALA N N 562 120.790 120.790 121.172 -0.382 18091 6831 1 18 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.044 -0.024 18091 6832 1 18 . 1 1 44 44 ALA C C 562 179.570 179.570 179.957 -0.387 18091 6833 1 18 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.073 -0.953 18091 6834 1 18 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.713 -0.513 18091 6835 1 18 . 1 1 44 44 ALA H H 562 7.980 7.980 7.845 0.135 18091 6836 1 18 . 1 1 45 45 LEU N N 563 116.420 116.420 116.721 -0.301 18091 6837 1 18 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.392 -0.412 18091 6838 1 18 . 1 1 45 45 LEU C C 563 178.220 178.220 178.667 -0.447 18091 6839 1 18 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.208 0.432 18091 6840 1 18 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.775 0.915 18091 6841 1 18 . 1 1 45 45 LEU H H 563 7.510 7.510 7.621 -0.111 18091 6842 1 18 . 1 1 46 46 GLN N N 564 115.510 115.510 120.627 -5.117 18091 6843 1 18 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.959 -0.099 18091 6844 1 18 . 1 1 46 46 GLN C C 564 178.300 178.300 178.002 0.298 18091 6845 1 18 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.307 -0.587 18091 6846 1 18 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.559 -0.539 18091 6847 1 18 . 1 1 46 46 GLN H H 564 7.510 7.510 7.655 -0.145 18091 6848 1 18 . 1 1 47 47 GLU N N 565 117.680 117.680 118.161 -0.481 18091 6849 1 18 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.954 -0.054 18091 6850 1 18 . 1 1 47 47 GLU C C 565 179.070 179.070 179.076 -0.006 18091 6851 1 18 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.016 -0.636 18091 6852 1 18 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.957 0.033 18091 6853 1 18 . 1 1 47 47 GLU H H 565 7.440 7.440 7.864 -0.424 18091 6854 1 18 . 1 1 48 48 HIS N N 566 118.220 118.220 119.688 -1.468 18091 6855 1 18 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.299 0.081 18091 6856 1 18 . 1 1 48 48 HIS C C 566 177.280 177.280 176.812 0.468 18091 6857 1 18 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.251 -0.391 18091 6858 1 18 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.756 1.684 18091 6859 1 18 . 1 1 48 48 HIS H H 566 7.420 7.420 7.508 -0.088 18091 6860 1 18 . 1 1 49 49 MET N N 567 115.200 115.200 117.157 -1.957 18091 6861 1 18 . 1 1 49 49 MET HA H 567 3.840 3.840 4.271 -0.431 18091 6862 1 18 . 1 1 49 49 MET C C 567 175.260 175.260 178.035 -2.775 18091 6863 1 18 . 1 1 49 49 MET CA C 567 57.840 57.840 58.728 -0.888 18091 6864 1 18 . 1 1 49 49 MET CB C 567 33.080 33.080 32.932 0.148 18091 6865 1 18 . 1 1 49 49 MET H H 567 7.710 7.710 7.798 -0.088 18091 6866 1 18 . 1 1 50 50 LYS N N 568 116.040 116.040 116.439 -0.399 18091 6867 1 18 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.040 -0.080 18091 6868 1 18 . 1 1 50 50 LYS C C 568 176.220 176.220 177.312 -1.092 18091 6869 1 18 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.573 -0.183 18091 6870 1 18 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.519 -0.299 18091 6871 1 18 . 1 1 50 50 LYS H H 568 7.140 7.140 7.550 -0.410 18091 6872 1 18 . 1 1 51 51 ASN N N 569 119.600 119.600 119.377 0.223 18091 6873 1 18 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.732 0.288 18091 6874 1 18 . 1 1 51 51 ASN C C 569 173.920 173.920 175.138 -1.218 18091 6875 1 18 . 1 1 51 51 ASN CA C 569 49.950 49.950 52.440 -2.490 18091 6876 1 18 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.995 -0.994 18091 6877 1 18 . 1 1 51 51 ASN H H 569 7.480 7.480 7.819 -0.339 18091 6878 1 18 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.327 -0.067 18091 6879 1 18 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.838 -0.728 18091 6880 1 18 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.172 0.098 18091 6881 1 18 . 1 1 53 53 GLU N N 571 116.870 116.870 118.303 -1.433 18091 6882 1 18 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.176 -0.106 18091 6883 1 18 . 1 1 53 53 GLU C C 571 178.830 178.830 179.032 -0.202 18091 6884 1 18 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.299 -0.419 18091 6885 1 18 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.658 -0.228 18091 6886 1 18 . 1 1 53 53 GLU H H 571 7.960 7.960 8.260 -0.300 18091 6887 1 18 . 1 1 54 54 VAL N N 572 118.290 118.290 119.362 -1.072 18091 6888 1 18 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.818 -0.158 18091 6889 1 18 . 1 1 54 54 VAL C C 572 177.620 177.620 177.889 -0.269 18091 6890 1 18 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.960 -0.860 18091 6891 1 18 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.506 0.704 18091 6892 1 18 . 1 1 54 54 VAL H H 572 7.330 7.330 7.775 -0.445 18091 6893 1 18 . 1 1 55 55 PHE N N 573 121.090 121.090 121.998 -0.908 18091 6894 1 18 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.155 -0.265 18091 6895 1 18 . 1 1 55 55 PHE C C 573 176.760 176.760 177.053 -0.293 18091 6896 1 18 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.706 0.524 18091 6897 1 18 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.855 -0.235 18091 6898 1 18 . 1 1 55 55 PHE H H 573 8.700 8.700 8.886 -0.186 18091 6899 1 18 . 1 1 56 56 LYS N N 574 116.910 116.910 119.565 -2.655 18091 6900 1 18 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.698 0.092 18091 6901 1 18 . 1 1 56 56 LYS C C 574 178.980 178.980 178.766 0.214 18091 6902 1 18 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.450 0.030 18091 6903 1 18 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.433 -0.233 18091 6904 1 18 . 1 1 56 56 LYS H H 574 7.800 7.800 7.748 0.052 18091 6905 1 18 . 1 1 57 57 LYS N N 575 119.120 119.120 119.170 -0.050 18091 6906 1 18 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.992 -0.082 18091 6907 1 18 . 1 1 57 57 LYS C C 575 178.520 178.520 179.063 -0.543 18091 6908 1 18 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.606 0.344 18091 6909 1 18 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.392 0.668 18091 6910 1 18 . 1 1 57 57 LYS H H 575 7.170 7.170 7.310 -0.140 18091 6911 1 18 . 1 1 58 58 ILE N N 576 119.180 119.180 119.050 0.130 18091 6912 1 18 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.749 -0.429 18091 6913 1 18 . 1 1 58 58 ILE C C 576 177.820 177.820 178.252 -0.432 18091 6914 1 18 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.846 0.684 18091 6915 1 18 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.860 -0.610 18091 6916 1 18 . 1 1 58 58 ILE H H 576 8.300 8.300 8.487 -0.187 18091 6917 1 18 . 1 1 59 59 GLN N N 577 118.000 118.000 118.603 -0.603 18091 6918 1 18 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.857 -0.187 18091 6919 1 18 . 1 1 59 59 GLN C C 577 179.250 179.250 178.599 0.651 18091 6920 1 18 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.077 0.043 18091 6921 1 18 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.301 -0.461 18091 6922 1 18 . 1 1 59 59 GLN H H 577 8.180 8.180 7.755 0.425 18091 6923 1 18 . 1 1 60 60 THR N N 578 118.670 118.670 116.831 1.839 18091 6924 1 18 . 1 1 60 60 THR HA H 578 3.760 3.760 3.971 -0.211 18091 6925 1 18 . 1 1 60 60 THR C C 578 176.060 176.060 176.553 -0.493 18091 6926 1 18 . 1 1 60 60 THR CA C 578 66.890 66.890 66.656 0.234 18091 6927 1 18 . 1 1 60 60 THR CB C 578 68.030 68.030 68.327 -0.297 18091 6928 1 18 . 1 1 60 60 THR H H 578 7.780 7.780 7.636 0.144 18091 6929 1 18 . 1 1 61 61 LEU N N 579 120.680 120.680 120.694 -0.014 18091 6930 1 18 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.076 -0.226 18091 6931 1 18 . 1 1 61 61 LEU C C 579 179.590 179.590 178.742 0.848 18091 6932 1 18 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.714 -0.064 18091 6933 1 18 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.519 -0.539 18091 6934 1 18 . 1 1 61 61 LEU H H 579 7.620 7.620 7.408 0.212 18091 6935 1 18 . 1 1 62 62 ILE N N 580 122.880 122.880 120.742 2.138 18091 6936 1 18 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.908 0.122 18091 6937 1 18 . 1 1 62 62 ILE C C 580 180.260 180.260 179.092 1.168 18091 6938 1 18 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.998 -0.268 18091 6939 1 18 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.711 0.599 18091 6940 1 18 . 1 1 62 62 ILE H H 580 8.540 8.540 7.683 0.857 18091 6941 1 18 . 1 1 63 63 ALA N N 581 124.510 124.510 123.105 1.405 18091 6942 1 18 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091 6943 1 18 . 1 1 63 63 ALA C C 581 179.000 179.000 178.697 0.303 18091 6944 1 18 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.794 0.046 18091 6945 1 18 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.303 -0.803 18091 6946 1 18 . 1 1 63 63 ALA H H 581 8.120 8.120 8.058 0.062 18091 6947 1 18 . 1 1 64 64 ALA N N 582 116.250 116.250 118.364 -2.114 18091 6948 1 18 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.274 -0.134 18091 6949 1 18 . 1 1 64 64 ALA C C 582 177.040 177.040 177.801 -0.761 18091 6950 1 18 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.735 0.445 18091 6951 1 18 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.989 0.871 18091 6952 1 18 . 1 1 64 64 ALA H H 582 7.470 7.470 7.510 -0.040 18091 6953 1 18 . 1 1 65 65 GLY N N 583 104.540 104.540 106.985 -2.445 18091 6954 1 18 . 1 1 65 65 GLY C C 583 174.180 174.180 175.050 -0.870 18091 6955 1 18 . 1 1 65 65 GLY CA C 583 44.790 44.790 46.156 -1.366 18091 6956 1 18 . 1 1 65 65 GLY H H 583 7.600 7.600 7.782 -0.182 18091 6957 1 18 . 1 1 66 66 ILE N N 584 118.630 118.630 117.892 0.738 18091 6958 1 18 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.983 -0.224 18091 6959 1 18 . 1 1 66 66 ILE C C 584 175.660 175.660 175.668 -0.008 18091 6960 1 18 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.245 -0.695 18091 6961 1 18 . 1 1 66 66 ILE CB C 584 37.610 37.610 39.195 -1.585 18091 6962 1 18 . 1 1 66 66 ILE H H 584 7.590 7.590 8.071 -0.481 18091 6963 1 18 . 1 1 67 67 ILE N N 585 116.360 116.360 118.855 -2.495 18091 6964 1 18 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.348 -0.178 18091 6965 1 18 . 1 1 67 67 ILE C C 585 174.370 174.370 174.862 -0.492 18091 6966 1 18 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.156 -0.676 18091 6967 1 18 . 1 1 67 67 ILE CB C 585 39.630 39.630 41.040 -1.410 18091 6968 1 18 . 1 1 67 67 ILE H H 585 6.490 6.490 7.340 -0.850 18091 6969 1 18 . 1 1 68 68 ARG N N 586 125.450 125.450 124.011 1.439 18091 6970 1 18 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.019 0.361 18091 6971 1 18 . 1 1 68 68 ARG C C 586 175.720 175.720 174.793 0.927 18091 6972 1 18 . 1 1 68 68 ARG CA C 586 54.920 54.920 57.115 -2.195 18091 6973 1 18 . 1 1 68 68 ARG CB C 586 31.320 31.320 28.337 2.983 18091 6974 1 18 . 1 1 68 68 ARG H H 586 8.500 8.500 8.932 -0.432 18091 6975 1 18 . 1 1 69 69 THR N N 587 113.710 113.710 111.103 2.607 18091 6976 1 18 . 1 1 69 69 THR HA H 587 4.300 4.300 4.418 -0.118 18091 6977 1 18 . 1 1 69 69 THR C C 587 174.760 174.760 174.387 0.373 18091 6978 1 18 . 1 1 69 69 THR CA C 587 61.300 61.300 60.369 0.931 18091 6979 1 18 . 1 1 69 69 THR CB C 587 69.720 69.720 71.053 -1.333 18091 6980 1 18 . 1 1 69 69 THR H H 587 8.250 8.250 7.805 0.445 18091 6981 1 18 . 1 1 70 70 GLY N N 588 110.720 110.720 112.159 -1.439 18091 6982 1 18 . 1 1 70 70 GLY C C 588 172.820 172.820 173.714 -0.894 18091 6983 1 18 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.787 0.373 18091 6984 1 18 . 1 1 70 70 GLY H H 588 8.230 8.230 8.537 -0.307 18091 6985 1 19 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.447 -0.217 18091 6986 1 19 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.313 -0.063 18091 6987 1 19 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.322 -0.362 18091 6988 1 19 . 1 1 3 3 GLY N N 521 109.400 109.400 108.955 0.445 18091 6989 1 19 . 1 1 3 3 GLY C C 521 174.300 174.300 173.609 0.691 18091 6990 1 19 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.740 0.440 18091 6991 1 19 . 1 1 3 3 GLY H H 521 8.490 8.490 8.447 0.043 18091 6992 1 19 . 1 1 4 4 THR N N 522 112.480 112.480 111.682 0.798 18091 6993 1 19 . 1 1 4 4 THR HA H 522 4.300 4.300 4.516 -0.216 18091 6994 1 19 . 1 1 4 4 THR C C 522 174.690 174.690 173.249 1.441 18091 6995 1 19 . 1 1 4 4 THR CA C 522 61.240 61.240 60.212 1.028 18091 6996 1 19 . 1 1 4 4 THR CB C 522 69.960 69.960 71.432 -1.472 18091 6997 1 19 . 1 1 4 4 THR H H 522 7.860 7.860 7.624 0.236 18091 6998 1 19 . 1 1 5 5 SER N N 523 117.450 117.450 117.804 -0.354 18091 6999 1 19 . 1 1 5 5 SER HA H 523 3.890 3.890 4.581 -0.691 18091 7000 1 19 . 1 1 5 5 SER C C 523 173.320 173.320 173.508 -0.188 18091 7001 1 19 . 1 1 5 5 SER CA C 523 58.460 58.460 57.804 0.656 18091 7002 1 19 . 1 1 5 5 SER CB C 523 63.690 63.690 63.176 0.514 18091 7003 1 19 . 1 1 5 5 SER H H 523 8.300 8.300 8.544 -0.244 18091 7004 1 19 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.855 -0.505 18091 7005 1 19 . 1 1 6 6 ASN C C 524 174.670 174.670 173.373 1.297 18091 7006 1 19 . 1 1 6 6 ASN CA C 524 53.060 53.060 54.128 -1.068 18091 7007 1 19 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.337 -0.627 18091 7008 1 19 . 1 1 7 7 GLU N N 525 120.970 120.970 123.304 -2.334 18091 7009 1 19 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.732 -0.392 18091 7010 1 19 . 1 1 7 7 GLU C C 525 176.900 176.900 175.407 1.493 18091 7011 1 19 . 1 1 7 7 GLU CA C 525 56.040 56.040 54.588 1.452 18091 7012 1 19 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.843 -1.773 18091 7013 1 19 . 1 1 7 7 GLU H H 525 7.970 7.970 9.070 -1.100 18091 7014 1 19 . 1 1 8 8 THR N N 526 116.960 116.960 112.597 4.363 18091 7015 1 19 . 1 1 8 8 THR HA H 526 4.540 4.540 4.435 0.105 18091 7016 1 19 . 1 1 8 8 THR C C 526 173.410 173.410 174.866 -1.456 18091 7017 1 19 . 1 1 8 8 THR CA C 526 60.080 60.080 60.800 -0.720 18091 7018 1 19 . 1 1 8 8 THR CB C 526 68.500 68.500 68.459 0.041 18091 7019 1 19 . 1 1 8 8 THR H H 526 8.630 8.630 8.273 0.357 18091 7020 1 19 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.179 0.011 18091 7021 1 19 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.165 -0.055 18091 7022 1 19 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.825 -0.245 18091 7023 1 19 . 1 1 10 10 GLU N N 528 118.610 118.610 118.231 0.379 18091 7024 1 19 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.020 -0.040 18091 7025 1 19 . 1 1 10 10 GLU C C 528 178.550 178.550 178.556 -0.006 18091 7026 1 19 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.512 0.068 18091 7027 1 19 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.261 -0.271 18091 7028 1 19 . 1 1 10 10 GLU H H 528 8.550 8.550 8.737 -0.187 18091 7029 1 19 . 1 1 11 11 GLU N N 529 121.090 121.090 118.834 2.256 18091 7030 1 19 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.097 -0.167 18091 7031 1 19 . 1 1 11 11 GLU C C 529 179.470 179.470 178.775 0.695 18091 7032 1 19 . 1 1 11 11 GLU CA C 529 58.950 58.950 60.078 -1.128 18091 7033 1 19 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.623 -0.144 18091 7034 1 19 . 1 1 11 11 GLU H H 529 7.870 7.870 8.693 -0.823 18091 7035 1 19 . 1 1 12 12 THR N N 530 118.050 118.050 116.639 1.411 18091 7036 1 19 . 1 1 12 12 THR HA H 530 3.750 3.750 3.998 -0.248 18091 7037 1 19 . 1 1 12 12 THR C C 530 175.770 175.770 176.195 -0.425 18091 7038 1 19 . 1 1 12 12 THR CA C 530 66.320 66.320 67.025 -0.705 18091 7039 1 19 . 1 1 12 12 THR CB C 530 68.430 68.430 68.729 -0.299 18091 7040 1 19 . 1 1 12 12 THR H H 530 8.390 8.390 7.378 1.012 18091 7041 1 19 . 1 1 13 13 TYR N N 531 122.280 122.280 122.522 -0.242 18091 7042 1 19 . 1 1 13 13 TYR HA H 531 3.820 3.820 3.983 -0.163 18091 7043 1 19 . 1 1 13 13 TYR C C 531 176.420 176.420 177.512 -1.092 18091 7044 1 19 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.237 -0.797 18091 7045 1 19 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.379 -0.269 18091 7046 1 19 . 1 1 13 13 TYR H H 531 8.050 8.050 7.967 0.083 18091 7047 1 19 . 1 1 14 14 GLN N N 532 116.250 116.250 117.743 -1.493 18091 7048 1 19 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.937 -0.247 18091 7049 1 19 . 1 1 14 14 GLN C C 532 178.800 178.800 178.629 0.171 18091 7050 1 19 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.170 -0.550 18091 7051 1 19 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.582 -0.522 18091 7052 1 19 . 1 1 14 14 GLN H H 532 8.010 8.010 7.861 0.149 18091 7053 1 19 . 1 1 15 15 ARG N N 533 118.730 118.730 118.674 0.056 18091 7054 1 19 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.042 -0.122 18091 7055 1 19 . 1 1 15 15 ARG C C 533 179.030 179.030 178.888 0.142 18091 7056 1 19 . 1 1 15 15 ARG CA C 533 59.140 59.140 58.483 0.657 18091 7057 1 19 . 1 1 15 15 ARG CB C 533 29.800 29.800 29.644 0.156 18091 7058 1 19 . 1 1 15 15 ARG H H 533 7.800 7.800 7.860 -0.060 18091 7059 1 19 . 1 1 16 16 ALA N N 534 123.500 123.500 122.293 1.207 18091 7060 1 19 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.084 -0.124 18091 7061 1 19 . 1 1 16 16 ALA C C 534 178.860 178.860 179.987 -1.127 18091 7062 1 19 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.532 0.138 18091 7063 1 19 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.078 0.652 18091 7064 1 19 . 1 1 16 16 ALA H H 534 8.210 8.210 8.075 0.135 18091 7065 1 19 . 1 1 17 17 MET N N 535 111.910 111.910 116.293 -4.383 18091 7066 1 19 . 1 1 17 17 MET HA H 535 4.020 4.020 4.033 -0.013 18091 7067 1 19 . 1 1 17 17 MET C C 535 176.890 176.890 177.221 -0.331 18091 7068 1 19 . 1 1 17 17 MET CA C 535 55.200 55.200 57.393 -2.193 18091 7069 1 19 . 1 1 17 17 MET CB C 535 31.110 31.110 32.432 -1.322 18091 7070 1 19 . 1 1 17 17 MET H H 535 7.480 7.480 7.779 -0.299 18091 7071 1 19 . 1 1 18 18 LYS N N 536 116.840 116.840 117.316 -0.476 18091 7072 1 19 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.154 -0.164 18091 7073 1 19 . 1 1 18 18 LYS C C 536 176.690 176.690 176.297 0.393 18091 7074 1 19 . 1 1 18 18 LYS CA C 536 56.590 56.590 56.809 -0.219 18091 7075 1 19 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.467 -0.127 18091 7076 1 19 . 1 1 18 18 LYS H H 536 7.180 7.180 7.263 -0.083 18091 7077 1 19 . 1 1 19 19 ASP N N 537 122.680 122.680 121.432 1.248 18091 7078 1 19 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.838 -0.038 18091 7079 1 19 . 1 1 19 19 ASP C C 537 174.720 174.720 175.569 -0.849 18091 7080 1 19 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.924 0.166 18091 7081 1 19 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.324 0.646 18091 7082 1 19 . 1 1 19 19 ASP H H 537 7.530 7.530 7.657 -0.127 18091 7083 1 19 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.188 -0.048 18091 7084 1 19 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.140 -0.390 18091 7085 1 19 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.179 -0.059 18091 7086 1 19 . 1 1 21 21 GLU N N 539 118.590 118.590 118.491 0.099 18091 7087 1 19 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.058 -0.048 18091 7088 1 19 . 1 1 21 21 GLU C C 539 179.010 179.010 179.160 -0.150 18091 7089 1 19 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.119 -0.269 18091 7090 1 19 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.194 0.146 18091 7091 1 19 . 1 1 21 21 GLU H H 539 8.200 8.200 7.930 0.270 18091 7092 1 19 . 1 1 22 22 VAL N N 540 120.690 120.690 120.585 0.105 18091 7093 1 19 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.500 -0.270 18091 7094 1 19 . 1 1 22 22 VAL C C 540 177.740 177.740 177.655 0.085 18091 7095 1 19 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.312 -0.222 18091 7096 1 19 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.498 -0.148 18091 7097 1 19 . 1 1 22 22 VAL H H 540 7.350 7.350 7.565 -0.215 18091 7098 1 19 . 1 1 23 23 ALA N N 541 121.460 121.460 121.940 -0.480 18091 7099 1 19 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.874 -0.104 18091 7100 1 19 . 1 1 23 23 ALA C C 541 179.660 179.660 179.079 0.581 18091 7101 1 19 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.099 0.291 18091 7102 1 19 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.083 -0.373 18091 7103 1 19 . 1 1 23 23 ALA H H 541 8.430 8.430 7.621 0.809 18091 7104 1 19 . 1 1 24 24 ALA N N 542 117.000 117.000 120.872 -3.872 18091 7105 1 19 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.020 -0.080 18091 7106 1 19 . 1 1 24 24 ALA C C 542 180.880 180.880 179.535 1.345 18091 7107 1 19 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.634 0.066 18091 7108 1 19 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.550 -0.600 18091 7109 1 19 . 1 1 24 24 ALA H H 542 7.380 7.380 7.656 -0.276 18091 7110 1 19 . 1 1 25 25 ILE N N 543 119.750 119.750 118.430 1.320 18091 7111 1 19 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.639 0.051 18091 7112 1 19 . 1 1 25 25 ILE C C 543 177.450 177.450 178.560 -1.110 18091 7113 1 19 . 1 1 25 25 ILE CA C 543 64.960 64.960 65.082 -0.122 18091 7114 1 19 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.097 0.183 18091 7115 1 19 . 1 1 25 25 ILE H H 543 7.380 7.380 7.475 -0.095 18091 7116 1 19 . 1 1 26 26 MET N N 544 113.830 113.830 117.427 -3.597 18091 7117 1 19 . 1 1 26 26 MET HA H 544 4.140 4.140 4.099 0.041 18091 7118 1 19 . 1 1 26 26 MET C C 544 177.680 177.680 177.900 -0.220 18091 7119 1 19 . 1 1 26 26 MET CA C 544 55.660 55.660 58.696 -3.036 18091 7120 1 19 . 1 1 26 26 MET CB C 544 30.690 30.690 32.490 -1.800 18091 7121 1 19 . 1 1 26 26 MET H H 544 7.870 7.870 7.846 0.024 18091 7122 1 19 . 1 1 27 27 GLN N N 545 115.210 115.210 115.809 -0.599 18091 7123 1 19 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.304 -0.224 18091 7124 1 19 . 1 1 27 27 GLN C C 545 175.170 175.170 175.737 -0.567 18091 7125 1 19 . 1 1 27 27 GLN CA C 545 55.440 55.440 55.963 -0.523 18091 7126 1 19 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.188 -0.198 18091 7127 1 19 . 1 1 27 27 GLN H H 545 7.340 7.340 7.410 -0.070 18091 7128 1 19 . 1 1 28 28 ASP N N 546 123.270 123.270 120.057 3.213 18091 7129 1 19 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.990 -0.270 18091 7130 1 19 . 1 1 28 28 ASP C C 546 175.220 175.220 175.363 -0.143 18091 7131 1 19 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.724 0.616 18091 7132 1 19 . 1 1 28 28 ASP CB C 546 42.380 42.380 42.395 -0.015 18091 7133 1 19 . 1 1 28 28 ASP H H 546 7.320 7.320 7.925 -0.605 18091 7134 1 19 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.365 -0.245 18091 7135 1 19 . 1 1 29 29 PRO CA C 547 64.920 64.920 63.949 0.971 18091 7136 1 19 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.549 -0.289 18091 7137 1 19 . 1 1 30 30 VAL N N 548 119.870 119.870 119.489 0.381 18091 7138 1 19 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.592 -0.012 18091 7139 1 19 . 1 1 30 30 VAL C C 548 179.010 179.010 177.852 1.158 18091 7140 1 19 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.307 -0.307 18091 7141 1 19 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.677 -0.567 18091 7142 1 19 . 1 1 30 30 VAL H H 548 8.000 8.000 7.828 0.172 18091 7143 1 19 . 1 1 31 31 MET N N 549 118.270 118.270 116.656 1.614 18091 7144 1 19 . 1 1 31 31 MET HA H 549 4.340 4.340 3.960 0.380 18091 7145 1 19 . 1 1 31 31 MET C C 549 178.830 178.830 178.214 0.616 18091 7146 1 19 . 1 1 31 31 MET CA C 549 55.140 55.140 58.887 -3.747 18091 7147 1 19 . 1 1 31 31 MET CB C 549 28.840 28.840 32.119 -3.279 18091 7148 1 19 . 1 1 31 31 MET H H 549 7.250 7.250 7.481 -0.231 18091 7149 1 19 . 1 1 32 32 GLN N N 550 118.190 118.190 119.335 -1.145 18091 7150 1 19 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.984 -0.244 18091 7151 1 19 . 1 1 32 32 GLN C C 550 178.840 178.840 178.130 0.710 18091 7152 1 19 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.110 0.310 18091 7153 1 19 . 1 1 32 32 GLN CB C 550 27.660 27.660 27.919 -0.259 18091 7154 1 19 . 1 1 32 32 GLN H H 550 8.310 8.310 7.898 0.412 18091 7155 1 19 . 1 1 33 33 SER N N 551 114.010 114.010 115.524 -1.514 18091 7156 1 19 . 1 1 33 33 SER HA H 551 4.140 4.140 4.163 -0.023 18091 7157 1 19 . 1 1 33 33 SER C C 551 176.840 176.840 176.752 0.088 18091 7158 1 19 . 1 1 33 33 SER CA C 551 61.330 61.330 61.616 -0.286 18091 7159 1 19 . 1 1 33 33 SER CB C 551 62.450 62.450 62.834 -0.384 18091 7160 1 19 . 1 1 33 33 SER H H 551 7.570 7.570 7.475 0.095 18091 7161 1 19 . 1 1 34 34 ILE N N 552 123.490 123.490 122.258 1.232 18091 7162 1 19 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.500 -0.220 18091 7163 1 19 . 1 1 34 34 ILE C C 552 177.630 177.630 177.897 -0.267 18091 7164 1 19 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.346 0.334 18091 7165 1 19 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.559 0.161 18091 7166 1 19 . 1 1 34 34 ILE H H 552 7.600 7.600 7.522 0.078 18091 7167 1 19 . 1 1 35 35 LEU N N 553 119.520 119.520 119.506 0.014 18091 7168 1 19 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.800 -0.050 18091 7169 1 19 . 1 1 35 35 LEU C C 553 179.440 179.440 179.250 0.190 18091 7170 1 19 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.112 -0.162 18091 7171 1 19 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.261 -0.561 18091 7172 1 19 . 1 1 35 35 LEU H H 553 8.330 8.330 7.810 0.520 18091 7173 1 19 . 1 1 36 36 GLN N N 554 118.590 118.590 117.862 0.728 18091 7174 1 19 . 1 1 36 36 GLN HA H 554 3.920 3.920 4.082 -0.162 18091 7175 1 19 . 1 1 36 36 GLN C C 554 178.560 178.560 178.896 -0.336 18091 7176 1 19 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.840 -0.180 18091 7177 1 19 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.513 -0.453 18091 7178 1 19 . 1 1 36 36 GLN H H 554 7.800 7.800 7.829 -0.029 18091 7179 1 19 . 1 1 37 37 GLN N N 555 119.520 119.520 119.446 0.074 18091 7180 1 19 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.025 -0.095 18091 7181 1 19 . 1 1 37 37 GLN C C 555 178.400 178.400 178.371 0.029 18091 7182 1 19 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.665 -0.135 18091 7183 1 19 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.764 0.026 18091 7184 1 19 . 1 1 37 37 GLN H H 555 7.990 7.990 7.965 0.025 18091 7185 1 19 . 1 1 38 38 ALA N N 556 120.730 120.730 120.867 -0.137 18091 7186 1 19 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.395 -0.285 18091 7187 1 19 . 1 1 38 38 ALA C C 556 178.310 178.310 179.705 -1.395 18091 7188 1 19 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.757 -1.257 18091 7189 1 19 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.410 -0.040 18091 7190 1 19 . 1 1 38 38 ALA H H 556 8.310 8.310 8.102 0.208 18091 7191 1 19 . 1 1 39 39 GLN N N 557 115.600 115.600 117.402 -1.802 18091 7192 1 19 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.000 -0.040 18091 7193 1 19 . 1 1 39 39 GLN C C 557 177.260 177.260 178.686 -1.426 18091 7194 1 19 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.280 -0.360 18091 7195 1 19 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.590 -0.111 18091 7196 1 19 . 1 1 39 39 GLN H H 557 7.530 7.530 7.736 -0.206 18091 7197 1 19 . 1 1 40 40 GLN N N 558 115.310 115.310 117.038 -1.728 18091 7198 1 19 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.141 0.039 18091 7199 1 19 . 1 1 40 40 GLN C C 558 176.030 176.030 176.334 -0.304 18091 7200 1 19 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.657 -1.107 18091 7201 1 19 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.796 -0.475 18091 7202 1 19 . 1 1 40 40 GLN H H 558 7.350 7.350 7.568 -0.218 18091 7203 1 19 . 1 1 41 41 ASN N N 559 114.850 114.850 114.674 0.176 18091 7204 1 19 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.052 -0.102 18091 7205 1 19 . 1 1 41 41 ASN C C 559 172.420 172.420 173.229 -0.809 18091 7206 1 19 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.578 -1.148 18091 7207 1 19 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.106 -2.227 18091 7208 1 19 . 1 1 41 41 ASN H H 559 7.900 7.900 7.822 0.078 18091 7209 1 19 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.562 -0.232 18091 7210 1 19 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.888 0.112 18091 7211 1 19 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.178 -0.498 18091 7212 1 19 . 1 1 43 43 ALA N N 561 119.920 119.920 120.066 -0.146 18091 7213 1 19 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.152 -0.022 18091 7214 1 19 . 1 1 43 43 ALA C C 561 179.510 179.510 179.078 0.432 18091 7215 1 19 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.264 -0.214 18091 7216 1 19 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.165 -0.115 18091 7217 1 19 . 1 1 43 43 ALA H H 561 7.850 7.850 7.655 0.195 18091 7218 1 19 . 1 1 44 44 ALA N N 562 120.790 120.790 121.536 -0.746 18091 7219 1 19 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.101 -0.081 18091 7220 1 19 . 1 1 44 44 ALA C C 562 179.570 179.570 179.969 -0.399 18091 7221 1 19 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.256 -1.136 18091 7222 1 19 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.444 -0.243 18091 7223 1 19 . 1 1 44 44 ALA H H 562 7.980 7.980 7.848 0.132 18091 7224 1 19 . 1 1 45 45 LEU N N 563 116.420 116.420 117.015 -0.595 18091 7225 1 19 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.429 -0.449 18091 7226 1 19 . 1 1 45 45 LEU C C 563 178.220 178.220 178.606 -0.386 18091 7227 1 19 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.703 0.937 18091 7228 1 19 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.441 1.249 18091 7229 1 19 . 1 1 45 45 LEU H H 563 7.510 7.510 7.778 -0.268 18091 7230 1 19 . 1 1 46 46 GLN N N 564 115.510 115.510 120.738 -5.228 18091 7231 1 19 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.934 -0.074 18091 7232 1 19 . 1 1 46 46 GLN C C 564 178.300 178.300 178.041 0.259 18091 7233 1 19 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.364 -0.644 18091 7234 1 19 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.736 -0.716 18091 7235 1 19 . 1 1 46 46 GLN H H 564 7.510 7.510 8.012 -0.502 18091 7236 1 19 . 1 1 47 47 GLU N N 565 117.680 117.680 117.718 -0.038 18091 7237 1 19 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.950 -0.050 18091 7238 1 19 . 1 1 47 47 GLU C C 565 179.070 179.070 179.143 -0.073 18091 7239 1 19 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.964 -0.584 18091 7240 1 19 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.982 0.008 18091 7241 1 19 . 1 1 47 47 GLU H H 565 7.440 7.440 7.871 -0.431 18091 7242 1 19 . 1 1 48 48 HIS N N 566 118.220 118.220 119.648 -1.428 18091 7243 1 19 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.351 0.029 18091 7244 1 19 . 1 1 48 48 HIS C C 566 177.280 177.280 177.890 -0.610 18091 7245 1 19 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.083 -0.223 18091 7246 1 19 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.823 1.617 18091 7247 1 19 . 1 1 48 48 HIS H H 566 7.420 7.420 7.470 -0.050 18091 7248 1 19 . 1 1 49 49 MET N N 567 115.200 115.200 118.473 -3.273 18091 7249 1 19 . 1 1 49 49 MET HA H 567 3.840 3.840 4.319 -0.479 18091 7250 1 19 . 1 1 49 49 MET C C 567 175.260 175.260 177.534 -2.274 18091 7251 1 19 . 1 1 49 49 MET CA C 567 57.840 57.840 58.812 -0.972 18091 7252 1 19 . 1 1 49 49 MET CB C 567 33.080 33.080 32.805 0.275 18091 7253 1 19 . 1 1 49 49 MET H H 567 7.710 7.710 7.896 -0.186 18091 7254 1 19 . 1 1 50 50 LYS N N 568 116.040 116.040 116.159 -0.119 18091 7255 1 19 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.067 -0.107 18091 7256 1 19 . 1 1 50 50 LYS C C 568 176.220 176.220 176.861 -0.641 18091 7257 1 19 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.459 -0.069 18091 7258 1 19 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.363 -0.143 18091 7259 1 19 . 1 1 50 50 LYS H H 568 7.140 7.140 7.598 -0.458 18091 7260 1 19 . 1 1 51 51 ASN N N 569 119.600 119.600 118.449 1.151 18091 7261 1 19 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.826 0.194 18091 7262 1 19 . 1 1 51 51 ASN C C 569 173.920 173.920 175.300 -1.380 18091 7263 1 19 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.628 -1.678 18091 7264 1 19 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.919 -0.919 18091 7265 1 19 . 1 1 51 51 ASN H H 569 7.480 7.480 7.441 0.039 18091 7266 1 19 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.318 -0.058 18091 7267 1 19 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.826 -0.716 18091 7268 1 19 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.026 0.244 18091 7269 1 19 . 1 1 53 53 GLU N N 571 116.870 116.870 118.407 -1.537 18091 7270 1 19 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.170 -0.100 18091 7271 1 19 . 1 1 53 53 GLU C C 571 178.830 178.830 178.896 -0.066 18091 7272 1 19 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.495 -0.615 18091 7273 1 19 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.569 -0.139 18091 7274 1 19 . 1 1 53 53 GLU H H 571 7.960 7.960 8.484 -0.524 18091 7275 1 19 . 1 1 54 54 VAL N N 572 118.290 118.290 119.260 -0.970 18091 7276 1 19 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.817 -0.157 18091 7277 1 19 . 1 1 54 54 VAL C C 572 177.620 177.620 177.974 -0.354 18091 7278 1 19 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.975 -0.875 18091 7279 1 19 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.465 0.745 18091 7280 1 19 . 1 1 54 54 VAL H H 572 7.330 7.330 7.829 -0.499 18091 7281 1 19 . 1 1 55 55 PHE N N 573 121.090 121.090 122.019 -0.929 18091 7282 1 19 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.107 -0.217 18091 7283 1 19 . 1 1 55 55 PHE C C 573 176.760 176.760 177.054 -0.294 18091 7284 1 19 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.020 0.210 18091 7285 1 19 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.870 -0.250 18091 7286 1 19 . 1 1 55 55 PHE H H 573 8.700 8.700 8.878 -0.178 18091 7287 1 19 . 1 1 56 56 LYS N N 574 116.910 116.910 119.403 -2.493 18091 7288 1 19 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.737 0.053 18091 7289 1 19 . 1 1 56 56 LYS C C 574 178.980 178.980 178.755 0.225 18091 7290 1 19 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.678 -0.198 18091 7291 1 19 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.431 -0.231 18091 7292 1 19 . 1 1 56 56 LYS H H 574 7.800 7.800 7.843 -0.043 18091 7293 1 19 . 1 1 57 57 LYS N N 575 119.120 119.120 119.150 -0.030 18091 7294 1 19 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.994 -0.084 18091 7295 1 19 . 1 1 57 57 LYS C C 575 178.520 178.520 179.142 -0.622 18091 7296 1 19 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.573 0.377 18091 7297 1 19 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.395 0.665 18091 7298 1 19 . 1 1 57 57 LYS H H 575 7.170 7.170 7.295 -0.125 18091 7299 1 19 . 1 1 58 58 ILE N N 576 119.180 119.180 119.041 0.139 18091 7300 1 19 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.733 -0.413 18091 7301 1 19 . 1 1 58 58 ILE C C 576 177.820 177.820 178.259 -0.439 18091 7302 1 19 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.041 0.489 18091 7303 1 19 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.963 -0.713 18091 7304 1 19 . 1 1 58 58 ILE H H 576 8.300 8.300 8.421 -0.121 18091 7305 1 19 . 1 1 59 59 GLN N N 577 118.000 118.000 118.409 -0.409 18091 7306 1 19 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.793 -0.123 18091 7307 1 19 . 1 1 59 59 GLN C C 577 179.250 179.250 178.454 0.796 18091 7308 1 19 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.298 -0.178 18091 7309 1 19 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.298 -0.458 18091 7310 1 19 . 1 1 59 59 GLN H H 577 8.180 8.180 7.736 0.444 18091 7311 1 19 . 1 1 60 60 THR N N 578 118.670 118.670 117.010 1.660 18091 7312 1 19 . 1 1 60 60 THR HA H 578 3.760 3.760 3.865 -0.105 18091 7313 1 19 . 1 1 60 60 THR C C 578 176.060 176.060 176.486 -0.426 18091 7314 1 19 . 1 1 60 60 THR CA C 578 66.890 66.890 67.284 -0.394 18091 7315 1 19 . 1 1 60 60 THR CB C 578 68.030 68.030 68.643 -0.613 18091 7316 1 19 . 1 1 60 60 THR H H 578 7.780 7.780 7.643 0.137 18091 7317 1 19 . 1 1 61 61 LEU N N 579 120.680 120.680 120.742 -0.062 18091 7318 1 19 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.005 -0.155 18091 7319 1 19 . 1 1 61 61 LEU C C 579 179.590 179.590 178.775 0.815 18091 7320 1 19 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.608 0.042 18091 7321 1 19 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.223 -0.243 18091 7322 1 19 . 1 1 61 61 LEU H H 579 7.620 7.620 7.358 0.262 18091 7323 1 19 . 1 1 62 62 ILE N N 580 122.880 122.880 120.586 2.294 18091 7324 1 19 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.743 0.287 18091 7325 1 19 . 1 1 62 62 ILE C C 580 180.260 180.260 179.150 1.110 18091 7326 1 19 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.943 -0.213 18091 7327 1 19 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.701 0.609 18091 7328 1 19 . 1 1 62 62 ILE H H 580 8.540 8.540 7.535 1.005 18091 7329 1 19 . 1 1 63 63 ALA N N 581 124.510 124.510 122.893 1.617 18091 7330 1 19 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.046 -0.076 18091 7331 1 19 . 1 1 63 63 ALA C C 581 179.000 179.000 178.785 0.215 18091 7332 1 19 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.754 0.086 18091 7333 1 19 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.335 -0.835 18091 7334 1 19 . 1 1 63 63 ALA H H 581 8.120 8.120 7.994 0.126 18091 7335 1 19 . 1 1 64 64 ALA N N 582 116.250 116.250 118.470 -2.220 18091 7336 1 19 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.244 -0.104 18091 7337 1 19 . 1 1 64 64 ALA C C 582 177.040 177.040 177.692 -0.652 18091 7338 1 19 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.891 0.289 18091 7339 1 19 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.945 0.915 18091 7340 1 19 . 1 1 64 64 ALA H H 582 7.470 7.470 7.527 -0.057 18091 7341 1 19 . 1 1 65 65 GLY N N 583 104.540 104.540 106.044 -1.504 18091 7342 1 19 . 1 1 65 65 GLY C C 583 174.180 174.180 174.873 -0.693 18091 7343 1 19 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.928 -1.138 18091 7344 1 19 . 1 1 65 65 GLY H H 583 7.600 7.600 7.637 -0.037 18091 7345 1 19 . 1 1 66 66 ILE N N 584 118.630 118.630 117.088 1.542 18091 7346 1 19 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.078 -0.318 18091 7347 1 19 . 1 1 66 66 ILE C C 584 175.660 175.660 175.673 -0.013 18091 7348 1 19 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.567 -1.017 18091 7349 1 19 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.716 -1.106 18091 7350 1 19 . 1 1 66 66 ILE H H 584 7.590 7.590 7.740 -0.150 18091 7351 1 19 . 1 1 67 67 ILE N N 585 116.360 116.360 119.514 -3.154 18091 7352 1 19 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.310 -0.140 18091 7353 1 19 . 1 1 67 67 ILE C C 585 174.370 174.370 174.718 -0.348 18091 7354 1 19 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.055 -0.575 18091 7355 1 19 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.912 -1.282 18091 7356 1 19 . 1 1 67 67 ILE H H 585 6.490 6.490 7.301 -0.811 18091 7357 1 19 . 1 1 68 68 ARG N N 586 125.450 125.450 125.746 -0.296 18091 7358 1 19 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.556 -0.176 18091 7359 1 19 . 1 1 68 68 ARG C C 586 175.720 175.720 176.323 -0.603 18091 7360 1 19 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.424 -1.504 18091 7361 1 19 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.407 0.913 18091 7362 1 19 . 1 1 68 68 ARG H H 586 8.500 8.500 8.698 -0.198 18091 7363 1 19 . 1 1 69 69 THR N N 587 113.710 113.710 115.403 -1.693 18091 7364 1 19 . 1 1 69 69 THR HA H 587 4.300 4.300 4.450 -0.150 18091 7365 1 19 . 1 1 69 69 THR C C 587 174.760 174.760 175.147 -0.387 18091 7366 1 19 . 1 1 69 69 THR CA C 587 61.300 61.300 61.444 -0.144 18091 7367 1 19 . 1 1 69 69 THR CB C 587 69.720 69.720 69.612 0.108 18091 7368 1 19 . 1 1 69 69 THR H H 587 8.250 8.250 8.715 -0.465 18091 7369 1 19 . 1 1 70 70 GLY N N 588 110.720 110.720 112.588 -1.868 18091 7370 1 19 . 1 1 70 70 GLY C C 588 172.820 172.820 174.947 -2.127 18091 7371 1 19 . 1 1 70 70 GLY CA C 588 45.160 45.160 45.068 0.092 18091 7372 1 19 . 1 1 70 70 GLY H H 588 8.230 8.230 8.404 -0.174 18091 7373 1 20 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.403 -0.173 18091 7374 1 20 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.435 -0.185 18091 7375 1 20 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.133 -0.173 18091 7376 1 20 . 1 1 3 3 GLY N N 521 109.400 109.400 109.911 -0.511 18091 7377 1 20 . 1 1 3 3 GLY C C 521 174.300 174.300 173.464 0.836 18091 7378 1 20 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.108 0.072 18091 7379 1 20 . 1 1 3 3 GLY H H 521 8.490 8.490 8.375 0.115 18091 7380 1 20 . 1 1 4 4 THR N N 522 112.480 112.480 111.390 1.090 18091 7381 1 20 . 1 1 4 4 THR HA H 522 4.300 4.300 4.816 -0.516 18091 7382 1 20 . 1 1 4 4 THR C C 522 174.690 174.690 172.944 1.746 18091 7383 1 20 . 1 1 4 4 THR CA C 522 61.240 61.240 60.953 0.287 18091 7384 1 20 . 1 1 4 4 THR CB C 522 69.960 69.960 71.034 -1.074 18091 7385 1 20 . 1 1 4 4 THR H H 522 7.860 7.860 7.586 0.274 18091 7386 1 20 . 1 1 5 5 SER N N 523 117.450 117.450 116.493 0.957 18091 7387 1 20 . 1 1 5 5 SER HA H 523 3.890 3.890 4.722 -0.832 18091 7388 1 20 . 1 1 5 5 SER C C 523 173.320 173.320 173.054 0.266 18091 7389 1 20 . 1 1 5 5 SER CA C 523 58.460 58.460 57.785 0.675 18091 7390 1 20 . 1 1 5 5 SER CB C 523 63.690 63.690 65.173 -1.483 18091 7391 1 20 . 1 1 5 5 SER H H 523 8.300 8.300 8.118 0.182 18091 7392 1 20 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.882 -0.532 18091 7393 1 20 . 1 1 6 6 ASN C C 524 174.670 174.670 174.373 0.297 18091 7394 1 20 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.014 0.046 18091 7395 1 20 . 1 1 6 6 ASN CB C 524 38.710 38.710 38.852 -0.142 18091 7396 1 20 . 1 1 7 7 GLU N N 525 120.970 120.970 121.230 -0.260 18091 7397 1 20 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.657 -0.317 18091 7398 1 20 . 1 1 7 7 GLU C C 525 176.900 176.900 174.949 1.951 18091 7399 1 20 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.225 0.815 18091 7400 1 20 . 1 1 7 7 GLU CB C 525 31.070 31.070 32.284 -1.214 18091 7401 1 20 . 1 1 7 7 GLU H H 525 7.970 7.970 7.936 0.034 18091 7402 1 20 . 1 1 8 8 THR N N 526 116.960 116.960 111.294 5.666 18091 7403 1 20 . 1 1 8 8 THR HA H 526 4.540 4.540 4.181 0.359 18091 7404 1 20 . 1 1 8 8 THR C C 526 173.410 173.410 173.359 0.051 18091 7405 1 20 . 1 1 8 8 THR CA C 526 60.080 60.080 62.227 -2.147 18091 7406 1 20 . 1 1 8 8 THR CB C 526 68.500 68.500 67.648 0.852 18091 7407 1 20 . 1 1 8 8 THR H H 526 8.630 8.630 8.504 0.126 18091 7408 1 20 . 1 1 9 9 PRO HA H 527 4.190 4.190 3.950 0.240 18091 7409 1 20 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.920 0.190 18091 7410 1 20 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.836 -0.256 18091 7411 1 20 . 1 1 10 10 GLU N N 528 118.610 118.610 116.867 1.743 18091 7412 1 20 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.254 -0.274 18091 7413 1 20 . 1 1 10 10 GLU C C 528 178.550 178.550 178.819 -0.269 18091 7414 1 20 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.801 -0.221 18091 7415 1 20 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.103 -0.113 18091 7416 1 20 . 1 1 10 10 GLU H H 528 8.550 8.550 8.959 -0.409 18091 7417 1 20 . 1 1 11 11 GLU N N 529 121.090 121.090 120.063 1.027 18091 7418 1 20 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.280 -0.350 18091 7419 1 20 . 1 1 11 11 GLU C C 529 179.470 179.470 178.690 0.780 18091 7420 1 20 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.066 -0.116 18091 7421 1 20 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.573 -0.093 18091 7422 1 20 . 1 1 11 11 GLU H H 529 7.870 7.870 8.157 -0.287 18091 7423 1 20 . 1 1 12 12 THR N N 530 118.050 118.050 117.082 0.968 18091 7424 1 20 . 1 1 12 12 THR HA H 530 3.750 3.750 3.880 -0.130 18091 7425 1 20 . 1 1 12 12 THR C C 530 175.770 175.770 176.413 -0.643 18091 7426 1 20 . 1 1 12 12 THR CA C 530 66.320 66.320 67.206 -0.886 18091 7427 1 20 . 1 1 12 12 THR CB C 530 68.430 68.430 68.638 -0.207 18091 7428 1 20 . 1 1 12 12 THR H H 530 8.390 8.390 7.365 1.025 18091 7429 1 20 . 1 1 13 13 TYR N N 531 122.280 122.280 120.054 2.226 18091 7430 1 20 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.074 -0.254 18091 7431 1 20 . 1 1 13 13 TYR C C 531 176.420 176.420 178.054 -1.634 18091 7432 1 20 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.095 0.345 18091 7433 1 20 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.330 0.780 18091 7434 1 20 . 1 1 13 13 TYR H H 531 8.050 8.050 7.467 0.583 18091 7435 1 20 . 1 1 14 14 GLN N N 532 116.250 116.250 118.113 -1.863 18091 7436 1 20 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.928 -0.238 18091 7437 1 20 . 1 1 14 14 GLN C C 532 178.800 178.800 178.331 0.469 18091 7438 1 20 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.718 -0.098 18091 7439 1 20 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.278 -0.218 18091 7440 1 20 . 1 1 14 14 GLN H H 532 8.010 8.010 8.014 -0.004 18091 7441 1 20 . 1 1 15 15 ARG N N 533 118.730 118.730 120.708 -1.978 18091 7442 1 20 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.027 -0.107 18091 7443 1 20 . 1 1 15 15 ARG C C 533 179.030 179.030 178.993 0.037 18091 7444 1 20 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.021 0.119 18091 7445 1 20 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.207 -0.407 18091 7446 1 20 . 1 1 15 15 ARG H H 533 7.800 7.800 7.857 -0.057 18091 7447 1 20 . 1 1 16 16 ALA N N 534 123.500 123.500 121.948 1.552 18091 7448 1 20 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.120 -0.160 18091 7449 1 20 . 1 1 16 16 ALA C C 534 178.860 178.860 179.970 -1.110 18091 7450 1 20 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.764 -0.095 18091 7451 1 20 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.289 0.441 18091 7452 1 20 . 1 1 16 16 ALA H H 534 8.210 8.210 7.893 0.317 18091 7453 1 20 . 1 1 17 17 MET N N 535 111.910 111.910 116.510 -4.600 18091 7454 1 20 . 1 1 17 17 MET HA H 535 4.020 4.020 4.237 -0.217 18091 7455 1 20 . 1 1 17 17 MET C C 535 176.890 176.890 177.287 -0.397 18091 7456 1 20 . 1 1 17 17 MET CA C 535 55.200 55.200 57.389 -2.188 18091 7457 1 20 . 1 1 17 17 MET CB C 535 31.110 31.110 32.615 -1.506 18091 7458 1 20 . 1 1 17 17 MET H H 535 7.480 7.480 8.010 -0.530 18091 7459 1 20 . 1 1 18 18 LYS N N 536 116.840 116.840 117.622 -0.782 18091 7460 1 20 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.162 -0.172 18091 7461 1 20 . 1 1 18 18 LYS C C 536 176.690 176.690 176.392 0.298 18091 7462 1 20 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.001 -0.411 18091 7463 1 20 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.450 -0.110 18091 7464 1 20 . 1 1 18 18 LYS H H 536 7.180 7.180 7.314 -0.134 18091 7465 1 20 . 1 1 19 19 ASP N N 537 122.680 122.680 121.230 1.450 18091 7466 1 20 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.918 -0.118 18091 7467 1 20 . 1 1 19 19 ASP C C 537 174.720 174.720 175.286 -0.566 18091 7468 1 20 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.109 -0.019 18091 7469 1 20 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.358 0.612 18091 7470 1 20 . 1 1 19 19 ASP H H 537 7.530 7.530 7.638 -0.108 18091 7471 1 20 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.239 -0.099 18091 7472 1 20 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.017 -0.268 18091 7473 1 20 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.070 0.050 18091 7474 1 20 . 1 1 21 21 GLU N N 539 118.590 118.590 117.520 1.070 18091 7475 1 20 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.072 -0.062 18091 7476 1 20 . 1 1 21 21 GLU C C 539 179.010 179.010 178.863 0.147 18091 7477 1 20 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.206 -0.356 18091 7478 1 20 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.097 0.243 18091 7479 1 20 . 1 1 21 21 GLU H H 539 8.200 8.200 8.352 -0.152 18091 7480 1 20 . 1 1 22 22 VAL N N 540 120.690 120.690 120.446 0.244 18091 7481 1 20 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.592 -0.362 18091 7482 1 20 . 1 1 22 22 VAL C C 540 177.740 177.740 177.575 0.165 18091 7483 1 20 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.882 -0.792 18091 7484 1 20 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.522 -0.172 18091 7485 1 20 . 1 1 22 22 VAL H H 540 7.350 7.350 7.630 -0.280 18091 7486 1 20 . 1 1 23 23 ALA N N 541 121.460 121.460 121.867 -0.407 18091 7487 1 20 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.939 -0.169 18091 7488 1 20 . 1 1 23 23 ALA C C 541 179.660 179.660 179.029 0.631 18091 7489 1 20 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.096 0.294 18091 7490 1 20 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.022 -0.312 18091 7491 1 20 . 1 1 23 23 ALA H H 541 8.430 8.430 7.571 0.859 18091 7492 1 20 . 1 1 24 24 ALA N N 542 117.000 117.000 121.192 -4.192 18091 7493 1 20 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.114 -0.174 18091 7494 1 20 . 1 1 24 24 ALA C C 542 180.880 180.880 179.149 1.731 18091 7495 1 20 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.650 0.050 18091 7496 1 20 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.302 -0.352 18091 7497 1 20 . 1 1 24 24 ALA H H 542 7.380 7.380 7.609 -0.229 18091 7498 1 20 . 1 1 25 25 ILE N N 543 119.750 119.750 118.111 1.639 18091 7499 1 20 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.793 -0.103 18091 7500 1 20 . 1 1 25 25 ILE C C 543 177.450 177.450 178.494 -1.044 18091 7501 1 20 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.408 0.552 18091 7502 1 20 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.225 0.055 18091 7503 1 20 . 1 1 25 25 ILE H H 543 7.380 7.380 7.445 -0.065 18091 7504 1 20 . 1 1 26 26 MET N N 544 113.830 113.830 117.446 -3.616 18091 7505 1 20 . 1 1 26 26 MET HA H 544 4.140 4.140 4.096 0.044 18091 7506 1 20 . 1 1 26 26 MET C C 544 177.680 177.680 177.847 -0.167 18091 7507 1 20 . 1 1 26 26 MET CA C 544 55.660 55.660 58.584 -2.924 18091 7508 1 20 . 1 1 26 26 MET CB C 544 30.690 30.690 32.607 -1.917 18091 7509 1 20 . 1 1 26 26 MET H H 544 7.870 7.870 7.686 0.184 18091 7510 1 20 . 1 1 27 27 GLN N N 545 115.210 115.210 115.666 -0.456 18091 7511 1 20 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.313 -0.233 18091 7512 1 20 . 1 1 27 27 GLN C C 545 175.170 175.170 175.509 -0.339 18091 7513 1 20 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.054 -0.614 18091 7514 1 20 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.447 -0.457 18091 7515 1 20 . 1 1 27 27 GLN H H 545 7.340 7.340 7.427 -0.087 18091 7516 1 20 . 1 1 28 28 ASP N N 546 123.270 123.270 119.029 4.241 18091 7517 1 20 . 1 1 28 28 ASP HA H 546 4.720 4.720 5.020 -0.300 18091 7518 1 20 . 1 1 28 28 ASP C C 546 175.220 175.220 174.802 0.418 18091 7519 1 20 . 1 1 28 28 ASP CA C 546 51.340 51.340 50.705 0.635 18091 7520 1 20 . 1 1 28 28 ASP CB C 546 42.380 42.380 43.119 -0.739 18091 7521 1 20 . 1 1 28 28 ASP H H 546 7.320 7.320 7.930 -0.610 18091 7522 1 20 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.336 -0.216 18091 7523 1 20 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.046 0.874 18091 7524 1 20 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.521 -0.261 18091 7525 1 20 . 1 1 30 30 VAL N N 548 119.870 119.870 119.900 -0.030 18091 7526 1 20 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.676 -0.096 18091 7527 1 20 . 1 1 30 30 VAL C C 548 179.010 179.010 177.920 1.090 18091 7528 1 20 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.949 -0.949 18091 7529 1 20 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.183 -0.073 18091 7530 1 20 . 1 1 30 30 VAL H H 548 8.000 8.000 7.926 0.074 18091 7531 1 20 . 1 1 31 31 MET N N 549 118.270 118.270 117.260 1.010 18091 7532 1 20 . 1 1 31 31 MET HA H 549 4.340 4.340 3.994 0.346 18091 7533 1 20 . 1 1 31 31 MET C C 549 178.830 178.830 178.320 0.510 18091 7534 1 20 . 1 1 31 31 MET CA C 549 55.140 55.140 58.827 -3.687 18091 7535 1 20 . 1 1 31 31 MET CB C 549 28.840 28.840 32.227 -3.387 18091 7536 1 20 . 1 1 31 31 MET H H 549 7.250 7.250 7.903 -0.653 18091 7537 1 20 . 1 1 32 32 GLN N N 550 118.190 118.190 119.092 -0.902 18091 7538 1 20 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.906 -0.166 18091 7539 1 20 . 1 1 32 32 GLN C C 550 178.840 178.840 178.328 0.512 18091 7540 1 20 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.026 0.394 18091 7541 1 20 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.283 -0.623 18091 7542 1 20 . 1 1 32 32 GLN H H 550 8.310 8.310 8.317 -0.007 18091 7543 1 20 . 1 1 33 33 SER N N 551 114.010 114.010 114.984 -0.974 18091 7544 1 20 . 1 1 33 33 SER HA H 551 4.140 4.140 4.126 0.014 18091 7545 1 20 . 1 1 33 33 SER C C 551 176.840 176.840 176.632 0.208 18091 7546 1 20 . 1 1 33 33 SER CA C 551 61.330 61.330 61.697 -0.367 18091 7547 1 20 . 1 1 33 33 SER CB C 551 62.450 62.450 62.888 -0.438 18091 7548 1 20 . 1 1 33 33 SER H H 551 7.570 7.570 7.636 -0.066 18091 7549 1 20 . 1 1 34 34 ILE N N 552 123.490 123.490 121.997 1.493 18091 7550 1 20 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.451 -0.171 18091 7551 1 20 . 1 1 34 34 ILE C C 552 177.630 177.630 177.640 -0.010 18091 7552 1 20 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.079 0.601 18091 7553 1 20 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.485 0.235 18091 7554 1 20 . 1 1 34 34 ILE H H 552 7.600 7.600 7.439 0.161 18091 7555 1 20 . 1 1 35 35 LEU N N 553 119.520 119.520 119.618 -0.098 18091 7556 1 20 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.822 -0.072 18091 7557 1 20 . 1 1 35 35 LEU C C 553 179.440 179.440 179.337 0.103 18091 7558 1 20 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.021 -0.071 18091 7559 1 20 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.273 -0.573 18091 7560 1 20 . 1 1 35 35 LEU H H 553 8.330 8.330 7.739 0.591 18091 7561 1 20 . 1 1 36 36 GLN N N 554 118.590 118.590 117.470 1.120 18091 7562 1 20 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.936 -0.016 18091 7563 1 20 . 1 1 36 36 GLN C C 554 178.560 178.560 178.987 -0.427 18091 7564 1 20 . 1 1 36 36 GLN CA C 554 58.660 58.660 58.825 -0.165 18091 7565 1 20 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.060 0.000 18091 7566 1 20 . 1 1 36 36 GLN H H 554 7.800 7.800 7.814 -0.014 18091 7567 1 20 . 1 1 37 37 GLN N N 555 119.520 119.520 118.341 1.179 18091 7568 1 20 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.072 -0.142 18091 7569 1 20 . 1 1 37 37 GLN C C 555 178.400 178.400 178.368 0.032 18091 7570 1 20 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.368 0.161 18091 7571 1 20 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.245 0.545 18091 7572 1 20 . 1 1 37 37 GLN H H 555 7.990 7.990 8.080 -0.090 18091 7573 1 20 . 1 1 38 38 ALA N N 556 120.730 120.730 121.780 -1.050 18091 7574 1 20 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.372 -0.262 18091 7575 1 20 . 1 1 38 38 ALA C C 556 178.310 178.310 179.932 -1.622 18091 7576 1 20 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.785 -1.285 18091 7577 1 20 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.341 0.029 18091 7578 1 20 . 1 1 38 38 ALA H H 556 8.310 8.310 7.978 0.332 18091 7579 1 20 . 1 1 39 39 GLN N N 557 115.600 115.600 117.569 -1.969 18091 7580 1 20 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.002 -0.042 18091 7581 1 20 . 1 1 39 39 GLN C C 557 177.260 177.260 178.737 -1.477 18091 7582 1 20 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.317 -0.397 18091 7583 1 20 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.632 -0.152 18091 7584 1 20 . 1 1 39 39 GLN H H 557 7.530 7.530 7.746 -0.216 18091 7585 1 20 . 1 1 40 40 GLN N N 558 115.310 115.310 117.002 -1.692 18091 7586 1 20 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.137 0.043 18091 7587 1 20 . 1 1 40 40 GLN C C 558 176.030 176.030 176.435 -0.405 18091 7588 1 20 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.724 -1.174 18091 7589 1 20 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.820 -0.500 18091 7590 1 20 . 1 1 40 40 GLN H H 558 7.350 7.350 7.642 -0.292 18091 7591 1 20 . 1 1 41 41 ASN N N 559 114.850 114.850 115.071 -0.221 18091 7592 1 20 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.094 -0.144 18091 7593 1 20 . 1 1 41 41 ASN C C 559 172.420 172.420 173.250 -0.830 18091 7594 1 20 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.544 -1.114 18091 7595 1 20 . 1 1 41 41 ASN CB C 559 38.880 38.880 41.242 -2.362 18091 7596 1 20 . 1 1 41 41 ASN H H 559 7.900 7.900 8.100 -0.200 18091 7597 1 20 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.625 -0.295 18091 7598 1 20 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.662 0.338 18091 7599 1 20 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.206 -0.526 18091 7600 1 20 . 1 1 43 43 ALA N N 561 119.920 119.920 120.391 -0.471 18091 7601 1 20 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.191 -0.060 18091 7602 1 20 . 1 1 43 43 ALA C C 561 179.510 179.510 179.017 0.493 18091 7603 1 20 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.234 -0.185 18091 7604 1 20 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.219 -0.169 18091 7605 1 20 . 1 1 43 43 ALA H H 561 7.850 7.850 7.698 0.152 18091 7606 1 20 . 1 1 44 44 ALA N N 562 120.790 120.790 121.956 -1.166 18091 7607 1 20 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.156 -0.136 18091 7608 1 20 . 1 1 44 44 ALA C C 562 179.570 179.570 179.716 -0.146 18091 7609 1 20 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.109 -0.989 18091 7610 1 20 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.488 -0.288 18091 7611 1 20 . 1 1 44 44 ALA H H 562 7.980 7.980 7.689 0.291 18091 7612 1 20 . 1 1 45 45 LEU N N 563 116.420 116.420 117.110 -0.690 18091 7613 1 20 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.397 -0.417 18091 7614 1 20 . 1 1 45 45 LEU C C 563 178.220 178.220 178.881 -0.661 18091 7615 1 20 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.675 0.965 18091 7616 1 20 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.479 1.211 18091 7617 1 20 . 1 1 45 45 LEU H H 563 7.510 7.510 7.823 -0.313 18091 7618 1 20 . 1 1 46 46 GLN N N 564 115.510 115.510 120.381 -4.871 18091 7619 1 20 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.983 -0.123 18091 7620 1 20 . 1 1 46 46 GLN C C 564 178.300 178.300 178.048 0.252 18091 7621 1 20 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.187 -0.467 18091 7622 1 20 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.432 -0.412 18091 7623 1 20 . 1 1 46 46 GLN H H 564 7.510 7.510 8.097 -0.587 18091 7624 1 20 . 1 1 47 47 GLU N N 565 117.680 117.680 118.135 -0.455 18091 7625 1 20 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.957 -0.057 18091 7626 1 20 . 1 1 47 47 GLU C C 565 179.070 179.070 179.180 -0.110 18091 7627 1 20 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.974 -0.594 18091 7628 1 20 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.069 -0.079 18091 7629 1 20 . 1 1 47 47 GLU H H 565 7.440 7.440 7.869 -0.429 18091 7630 1 20 . 1 1 48 48 HIS N N 566 118.220 118.220 119.565 -1.345 18091 7631 1 20 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.373 0.007 18091 7632 1 20 . 1 1 48 48 HIS C C 566 177.280 177.280 177.832 -0.552 18091 7633 1 20 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.172 -0.312 18091 7634 1 20 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.822 1.618 18091 7635 1 20 . 1 1 48 48 HIS H H 566 7.420 7.420 7.559 -0.139 18091 7636 1 20 . 1 1 49 49 MET N N 567 115.200 115.200 118.297 -3.097 18091 7637 1 20 . 1 1 49 49 MET HA H 567 3.840 3.840 4.342 -0.502 18091 7638 1 20 . 1 1 49 49 MET C C 567 175.260 175.260 177.226 -1.966 18091 7639 1 20 . 1 1 49 49 MET CA C 567 57.840 57.840 58.638 -0.798 18091 7640 1 20 . 1 1 49 49 MET CB C 567 33.080 33.080 32.834 0.247 18091 7641 1 20 . 1 1 49 49 MET H H 567 7.710 7.710 7.918 -0.208 18091 7642 1 20 . 1 1 50 50 LYS N N 568 116.040 116.040 116.105 -0.065 18091 7643 1 20 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.078 -0.118 18091 7644 1 20 . 1 1 50 50 LYS C C 568 176.220 176.220 176.868 -0.648 18091 7645 1 20 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.364 0.026 18091 7646 1 20 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.315 -0.095 18091 7647 1 20 . 1 1 50 50 LYS H H 568 7.140 7.140 7.461 -0.321 18091 7648 1 20 . 1 1 51 51 ASN N N 569 119.600 119.600 118.090 1.510 18091 7649 1 20 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.857 0.163 18091 7650 1 20 . 1 1 51 51 ASN C C 569 173.920 173.920 175.269 -1.349 18091 7651 1 20 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.610 -1.660 18091 7652 1 20 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.939 -0.939 18091 7653 1 20 . 1 1 51 51 ASN H H 569 7.480 7.480 7.451 0.029 18091 7654 1 20 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.360 -0.100 18091 7655 1 20 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.688 -0.578 18091 7656 1 20 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.084 0.187 18091 7657 1 20 . 1 1 53 53 GLU N N 571 116.870 116.870 118.744 -1.874 18091 7658 1 20 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.164 -0.094 18091 7659 1 20 . 1 1 53 53 GLU C C 571 178.830 178.830 178.962 -0.132 18091 7660 1 20 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.406 -0.526 18091 7661 1 20 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.497 -0.067 18091 7662 1 20 . 1 1 53 53 GLU H H 571 7.960 7.960 8.597 -0.637 18091 7663 1 20 . 1 1 54 54 VAL N N 572 118.290 118.290 119.295 -1.005 18091 7664 1 20 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.777 -0.117 18091 7665 1 20 . 1 1 54 54 VAL C C 572 177.620 177.620 177.693 -0.073 18091 7666 1 20 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.596 -0.496 18091 7667 1 20 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.882 0.328 18091 7668 1 20 . 1 1 54 54 VAL H H 572 7.330 7.330 7.764 -0.434 18091 7669 1 20 . 1 1 55 55 PHE N N 573 121.090 121.090 121.853 -0.763 18091 7670 1 20 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.006 -0.116 18091 7671 1 20 . 1 1 55 55 PHE C C 573 176.760 176.760 176.968 -0.208 18091 7672 1 20 . 1 1 55 55 PHE CA C 573 62.230 62.230 62.015 0.215 18091 7673 1 20 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.873 -0.253 18091 7674 1 20 . 1 1 55 55 PHE H H 573 8.700 8.700 8.490 0.210 18091 7675 1 20 . 1 1 56 56 LYS N N 574 116.910 116.910 119.571 -2.661 18091 7676 1 20 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.798 -0.008 18091 7677 1 20 . 1 1 56 56 LYS C C 574 178.980 178.980 178.827 0.153 18091 7678 1 20 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.684 -0.204 18091 7679 1 20 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.464 -0.264 18091 7680 1 20 . 1 1 56 56 LYS H H 574 7.800 7.800 7.828 -0.028 18091 7681 1 20 . 1 1 57 57 LYS N N 575 119.120 119.120 119.113 0.007 18091 7682 1 20 . 1 1 57 57 LYS HA H 575 3.910 3.910 4.008 -0.098 18091 7683 1 20 . 1 1 57 57 LYS C C 575 178.520 178.520 179.203 -0.683 18091 7684 1 20 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.447 0.503 18091 7685 1 20 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.422 0.638 18091 7686 1 20 . 1 1 57 57 LYS H H 575 7.170 7.170 7.303 -0.133 18091 7687 1 20 . 1 1 58 58 ILE N N 576 119.180 119.180 119.146 0.034 18091 7688 1 20 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.757 -0.437 18091 7689 1 20 . 1 1 58 58 ILE C C 576 177.820 177.820 178.511 -0.691 18091 7690 1 20 . 1 1 58 58 ILE CA C 576 64.530 64.530 63.950 0.580 18091 7691 1 20 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.996 -0.746 18091 7692 1 20 . 1 1 58 58 ILE H H 576 8.300 8.300 8.513 -0.213 18091 7693 1 20 . 1 1 59 59 GLN N N 577 118.000 118.000 118.172 -0.172 18091 7694 1 20 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.783 -0.113 18091 7695 1 20 . 1 1 59 59 GLN C C 577 179.250 179.250 178.316 0.934 18091 7696 1 20 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.336 -0.216 18091 7697 1 20 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.194 -0.354 18091 7698 1 20 . 1 1 59 59 GLN H H 577 8.180 8.180 7.787 0.393 18091 7699 1 20 . 1 1 60 60 THR N N 578 118.670 118.670 117.328 1.342 18091 7700 1 20 . 1 1 60 60 THR HA H 578 3.760 3.760 3.936 -0.176 18091 7701 1 20 . 1 1 60 60 THR C C 578 176.060 176.060 176.421 -0.361 18091 7702 1 20 . 1 1 60 60 THR CA C 578 66.890 66.890 67.517 -0.627 18091 7703 1 20 . 1 1 60 60 THR CB C 578 68.030 68.030 68.424 -0.394 18091 7704 1 20 . 1 1 60 60 THR H H 578 7.780 7.780 7.586 0.194 18091 7705 1 20 . 1 1 61 61 LEU N N 579 120.680 120.680 120.504 0.176 18091 7706 1 20 . 1 1 61 61 LEU HA H 579 3.850 3.850 4.027 -0.177 18091 7707 1 20 . 1 1 61 61 LEU C C 579 179.590 179.590 178.456 1.134 18091 7708 1 20 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.678 -0.028 18091 7709 1 20 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.376 -0.396 18091 7710 1 20 . 1 1 61 61 LEU H H 579 7.620 7.620 7.351 0.269 18091 7711 1 20 . 1 1 62 62 ILE N N 580 122.880 122.880 120.787 2.093 18091 7712 1 20 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.909 0.121 18091 7713 1 20 . 1 1 62 62 ILE C C 580 180.260 180.260 179.154 1.106 18091 7714 1 20 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.973 -0.243 18091 7715 1 20 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.721 0.589 18091 7716 1 20 . 1 1 62 62 ILE H H 580 8.540 8.540 7.435 1.105 18091 7717 1 20 . 1 1 63 63 ALA N N 581 124.510 124.510 122.901 1.609 18091 7718 1 20 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.037 -0.067 18091 7719 1 20 . 1 1 63 63 ALA C C 581 179.000 179.000 178.821 0.179 18091 7720 1 20 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.787 0.053 18091 7721 1 20 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.337 -0.837 18091 7722 1 20 . 1 1 63 63 ALA H H 581 8.120 8.120 8.224 -0.104 18091 7723 1 20 . 1 1 64 64 ALA N N 582 116.250 116.250 118.594 -2.344 18091 7724 1 20 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.263 -0.123 18091 7725 1 20 . 1 1 64 64 ALA C C 582 177.040 177.040 177.728 -0.688 18091 7726 1 20 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.870 0.310 18091 7727 1 20 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.920 0.940 18091 7728 1 20 . 1 1 64 64 ALA H H 582 7.470 7.470 7.511 -0.041 18091 7729 1 20 . 1 1 65 65 GLY N N 583 104.540 104.540 106.321 -1.781 18091 7730 1 20 . 1 1 65 65 GLY C C 583 174.180 174.180 174.842 -0.662 18091 7731 1 20 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.770 -0.980 18091 7732 1 20 . 1 1 65 65 GLY H H 583 7.600 7.600 7.722 -0.122 18091 7733 1 20 . 1 1 66 66 ILE N N 584 118.630 118.630 119.164 -0.534 18091 7734 1 20 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.932 -0.172 18091 7735 1 20 . 1 1 66 66 ILE C C 584 175.660 175.660 176.288 -0.628 18091 7736 1 20 . 1 1 66 66 ILE CA C 584 61.550 61.550 63.188 -1.637 18091 7737 1 20 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.695 -1.085 18091 7738 1 20 . 1 1 66 66 ILE H H 584 7.590 7.590 7.841 -0.251 18091 7739 1 20 . 1 1 67 67 ILE N N 585 116.360 116.360 119.909 -3.549 18091 7740 1 20 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.133 0.037 18091 7741 1 20 . 1 1 67 67 ILE C C 585 174.370 174.370 175.232 -0.862 18091 7742 1 20 . 1 1 67 67 ILE CA C 585 59.480 59.480 61.037 -1.557 18091 7743 1 20 . 1 1 67 67 ILE CB C 585 39.630 39.630 38.275 1.355 18091 7744 1 20 . 1 1 67 67 ILE H H 585 6.490 6.490 7.497 -1.007 18091 7745 1 20 . 1 1 68 68 ARG N N 586 125.450 125.450 126.024 -0.574 18091 7746 1 20 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.649 -0.269 18091 7747 1 20 . 1 1 68 68 ARG C C 586 175.720 175.720 176.085 -0.365 18091 7748 1 20 . 1 1 68 68 ARG CA C 586 54.920 54.920 55.257 -0.337 18091 7749 1 20 . 1 1 68 68 ARG CB C 586 31.320 31.320 31.294 0.026 18091 7750 1 20 . 1 1 68 68 ARG H H 586 8.500 8.500 8.601 -0.101 18091 7751 1 20 . 1 1 69 69 THR N N 587 113.710 113.710 113.062 0.648 18091 7752 1 20 . 1 1 69 69 THR HA H 587 4.300 4.300 4.797 -0.497 18091 7753 1 20 . 1 1 69 69 THR C C 587 174.760 174.760 174.496 0.264 18091 7754 1 20 . 1 1 69 69 THR CA C 587 61.300 61.300 61.319 -0.019 18091 7755 1 20 . 1 1 69 69 THR CB C 587 69.720 69.720 70.347 -0.627 18091 7756 1 20 . 1 1 69 69 THR H H 587 8.250 8.250 8.209 0.041 18091 7757 1 20 . 1 1 70 70 GLY N N 588 110.720 110.720 109.151 1.569 18091 7758 1 20 . 1 1 70 70 GLY C C 588 172.820 172.820 172.628 0.192 18091 7759 1 20 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.272 0.888 18091 7760 1 20 . 1 1 70 70 GLY H H 588 8.230 8.230 8.825 -0.595 18091 7761 1 21 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.451 -0.221 18091 7762 1 21 . 1 1 2 2 PRO CA C 520 63.250 63.250 62.831 0.419 18091 7763 1 21 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.249 -0.289 18091 7764 1 21 . 1 1 3 3 GLY N N 521 109.400 109.400 112.208 -2.808 18091 7765 1 21 . 1 1 3 3 GLY C C 521 174.300 174.300 174.630 -0.330 18091 7766 1 21 . 1 1 3 3 GLY CA C 521 45.180 45.180 45.307 -0.127 18091 7767 1 21 . 1 1 3 3 GLY H H 521 8.490 8.490 8.975 -0.485 18091 7768 1 21 . 1 1 4 4 THR N N 522 112.480 112.480 115.513 -3.033 18091 7769 1 21 . 1 1 4 4 THR HA H 522 4.300 4.300 4.532 -0.232 18091 7770 1 21 . 1 1 4 4 THR C C 522 174.690 174.690 174.672 0.018 18091 7771 1 21 . 1 1 4 4 THR CA C 522 61.240 61.240 61.545 -0.305 18091 7772 1 21 . 1 1 4 4 THR CB C 522 69.960 69.960 70.489 -0.529 18091 7773 1 21 . 1 1 4 4 THR H H 522 7.860 7.860 8.081 -0.221 18091 7774 1 21 . 1 1 5 5 SER N N 523 117.450 117.450 115.303 2.147 18091 7775 1 21 . 1 1 5 5 SER HA H 523 3.890 3.890 4.116 -0.226 18091 7776 1 21 . 1 1 5 5 SER C C 523 173.320 173.320 173.179 0.141 18091 7777 1 21 . 1 1 5 5 SER CA C 523 58.460 58.460 58.724 -0.264 18091 7778 1 21 . 1 1 5 5 SER CB C 523 63.690 63.690 63.747 -0.057 18091 7779 1 21 . 1 1 5 5 SER H H 523 8.300 8.300 8.347 -0.047 18091 7780 1 21 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.823 -0.473 18091 7781 1 21 . 1 1 6 6 ASN C C 524 174.670 174.670 174.675 -0.005 18091 7782 1 21 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.216 -0.156 18091 7783 1 21 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.496 -0.786 18091 7784 1 21 . 1 1 7 7 GLU N N 525 120.970 120.970 125.217 -4.247 18091 7785 1 21 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.727 -0.387 18091 7786 1 21 . 1 1 7 7 GLU C C 525 176.900 176.900 175.018 1.882 18091 7787 1 21 . 1 1 7 7 GLU CA C 525 56.040 56.040 55.234 0.806 18091 7788 1 21 . 1 1 7 7 GLU CB C 525 31.070 31.070 33.238 -2.168 18091 7789 1 21 . 1 1 7 7 GLU H H 525 7.970 7.970 8.530 -0.560 18091 7790 1 21 . 1 1 8 8 THR N N 526 116.960 116.960 112.663 4.297 18091 7791 1 21 . 1 1 8 8 THR HA H 526 4.540 4.540 4.146 0.394 18091 7792 1 21 . 1 1 8 8 THR C C 526 173.410 173.410 173.849 -0.439 18091 7793 1 21 . 1 1 8 8 THR CA C 526 60.080 60.080 62.285 -2.204 18091 7794 1 21 . 1 1 8 8 THR CB C 526 68.500 68.500 67.916 0.584 18091 7795 1 21 . 1 1 8 8 THR H H 526 8.630 8.630 8.342 0.288 18091 7796 1 21 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.185 0.005 18091 7797 1 21 . 1 1 9 9 PRO CA C 527 65.110 65.110 65.276 -0.166 18091 7798 1 21 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.889 -0.309 18091 7799 1 21 . 1 1 10 10 GLU N N 528 118.610 118.610 116.965 1.645 18091 7800 1 21 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.060 -0.080 18091 7801 1 21 . 1 1 10 10 GLU C C 528 178.550 178.550 178.854 -0.304 18091 7802 1 21 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.663 -0.082 18091 7803 1 21 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.066 -0.076 18091 7804 1 21 . 1 1 10 10 GLU H H 528 8.550 8.550 8.959 -0.409 18091 7805 1 21 . 1 1 11 11 GLU N N 529 121.090 121.090 119.625 1.465 18091 7806 1 21 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.097 -0.167 18091 7807 1 21 . 1 1 11 11 GLU C C 529 179.470 179.470 178.876 0.594 18091 7808 1 21 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.382 -0.432 18091 7809 1 21 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.604 -0.124 18091 7810 1 21 . 1 1 11 11 GLU H H 529 7.870 7.870 8.252 -0.382 18091 7811 1 21 . 1 1 12 12 THR N N 530 118.050 118.050 116.679 1.371 18091 7812 1 21 . 1 1 12 12 THR HA H 530 3.750 3.750 3.992 -0.242 18091 7813 1 21 . 1 1 12 12 THR C C 530 175.770 175.770 176.215 -0.445 18091 7814 1 21 . 1 1 12 12 THR CA C 530 66.320 66.320 67.657 -1.337 18091 7815 1 21 . 1 1 12 12 THR CB C 530 68.430 68.430 68.838 -0.408 18091 7816 1 21 . 1 1 12 12 THR H H 530 8.390 8.390 7.506 0.884 18091 7817 1 21 . 1 1 13 13 TYR N N 531 122.280 122.280 122.886 -0.606 18091 7818 1 21 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.012 -0.192 18091 7819 1 21 . 1 1 13 13 TYR C C 531 176.420 176.420 177.705 -1.285 18091 7820 1 21 . 1 1 13 13 TYR CA C 531 61.440 61.440 62.291 -0.851 18091 7821 1 21 . 1 1 13 13 TYR CB C 531 38.110 38.110 38.292 -0.182 18091 7822 1 21 . 1 1 13 13 TYR H H 531 8.050 8.050 7.969 0.081 18091 7823 1 21 . 1 1 14 14 GLN N N 532 116.250 116.250 117.683 -1.433 18091 7824 1 21 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.884 -0.194 18091 7825 1 21 . 1 1 14 14 GLN C C 532 178.800 178.800 178.330 0.470 18091 7826 1 21 . 1 1 14 14 GLN CA C 532 58.620 58.620 59.119 -0.499 18091 7827 1 21 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.499 -0.439 18091 7828 1 21 . 1 1 14 14 GLN H H 532 8.010 8.010 7.928 0.082 18091 7829 1 21 . 1 1 15 15 ARG N N 533 118.730 118.730 119.734 -1.004 18091 7830 1 21 . 1 1 15 15 ARG HA H 533 3.920 3.920 3.985 -0.065 18091 7831 1 21 . 1 1 15 15 ARG C C 533 179.030 179.030 178.864 0.166 18091 7832 1 21 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.108 0.032 18091 7833 1 21 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.200 -0.400 18091 7834 1 21 . 1 1 15 15 ARG H H 533 7.800 7.800 7.840 -0.040 18091 7835 1 21 . 1 1 16 16 ALA N N 534 123.500 123.500 121.732 1.768 18091 7836 1 21 . 1 1 16 16 ALA HA H 534 3.960 3.960 3.952 0.008 18091 7837 1 21 . 1 1 16 16 ALA C C 534 178.860 178.860 179.697 -0.837 18091 7838 1 21 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.825 -0.155 18091 7839 1 21 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.354 0.376 18091 7840 1 21 . 1 1 16 16 ALA H H 534 8.210 8.210 7.821 0.389 18091 7841 1 21 . 1 1 17 17 MET N N 535 111.910 111.910 115.003 -3.093 18091 7842 1 21 . 1 1 17 17 MET HA H 535 4.020 4.020 4.021 -0.001 18091 7843 1 21 . 1 1 17 17 MET C C 535 176.890 176.890 177.349 -0.459 18091 7844 1 21 . 1 1 17 17 MET CA C 535 55.200 55.200 57.057 -1.857 18091 7845 1 21 . 1 1 17 17 MET CB C 535 31.110 31.110 31.602 -0.492 18091 7846 1 21 . 1 1 17 17 MET H H 535 7.480 7.480 7.833 -0.353 18091 7847 1 21 . 1 1 18 18 LYS N N 536 116.840 116.840 116.730 0.110 18091 7848 1 21 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.135 -0.145 18091 7849 1 21 . 1 1 18 18 LYS C C 536 176.690 176.690 176.601 0.089 18091 7850 1 21 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.013 -0.423 18091 7851 1 21 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.495 -0.155 18091 7852 1 21 . 1 1 18 18 LYS H H 536 7.180 7.180 7.205 -0.025 18091 7853 1 21 . 1 1 19 19 ASP N N 537 122.680 122.680 120.952 1.728 18091 7854 1 21 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.856 -0.056 18091 7855 1 21 . 1 1 19 19 ASP C C 537 174.720 174.720 175.508 -0.788 18091 7856 1 21 . 1 1 19 19 ASP CA C 537 51.090 51.090 50.761 0.329 18091 7857 1 21 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.385 0.585 18091 7858 1 21 . 1 1 19 19 ASP H H 537 7.530 7.530 7.645 -0.115 18091 7859 1 21 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.201 -0.061 18091 7860 1 21 . 1 1 20 20 PRO CA C 538 64.750 64.750 65.044 -0.295 18091 7861 1 21 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.226 -0.106 18091 7862 1 21 . 1 1 21 21 GLU N N 539 118.590 118.590 118.255 0.335 18091 7863 1 21 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.040 -0.030 18091 7864 1 21 . 1 1 21 21 GLU C C 539 179.010 179.010 179.051 -0.041 18091 7865 1 21 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.058 -0.208 18091 7866 1 21 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.218 0.122 18091 7867 1 21 . 1 1 21 21 GLU H H 539 8.200 8.200 7.928 0.272 18091 7868 1 21 . 1 1 22 22 VAL N N 540 120.690 120.690 120.366 0.324 18091 7869 1 21 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.548 -0.318 18091 7870 1 21 . 1 1 22 22 VAL C C 540 177.740 177.740 177.458 0.282 18091 7871 1 21 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.959 -0.869 18091 7872 1 21 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.497 -0.147 18091 7873 1 21 . 1 1 22 22 VAL H H 540 7.350 7.350 7.502 -0.152 18091 7874 1 21 . 1 1 23 23 ALA N N 541 121.460 121.460 122.275 -0.815 18091 7875 1 21 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.910 -0.140 18091 7876 1 21 . 1 1 23 23 ALA C C 541 179.660 179.660 179.111 0.549 18091 7877 1 21 . 1 1 23 23 ALA CA C 541 55.390 55.390 54.974 0.416 18091 7878 1 21 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.226 -0.516 18091 7879 1 21 . 1 1 23 23 ALA H H 541 8.430 8.430 7.464 0.966 18091 7880 1 21 . 1 1 24 24 ALA N N 542 117.000 117.000 120.812 -3.812 18091 7881 1 21 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.050 -0.110 18091 7882 1 21 . 1 1 24 24 ALA C C 542 180.880 180.880 179.408 1.472 18091 7883 1 21 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.837 -0.137 18091 7884 1 21 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.285 -0.334 18091 7885 1 21 . 1 1 24 24 ALA H H 542 7.380 7.380 7.481 -0.101 18091 7886 1 21 . 1 1 25 25 ILE N N 543 119.750 119.750 117.978 1.772 18091 7887 1 21 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.742 -0.052 18091 7888 1 21 . 1 1 25 25 ILE C C 543 177.450 177.450 178.383 -0.933 18091 7889 1 21 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.653 0.307 18091 7890 1 21 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.192 0.088 18091 7891 1 21 . 1 1 25 25 ILE H H 543 7.380 7.380 7.342 0.038 18091 7892 1 21 . 1 1 26 26 MET N N 544 113.830 113.830 116.633 -2.803 18091 7893 1 21 . 1 1 26 26 MET HA H 544 4.140 4.140 4.166 -0.026 18091 7894 1 21 . 1 1 26 26 MET C C 544 177.680 177.680 177.874 -0.194 18091 7895 1 21 . 1 1 26 26 MET CA C 544 55.660 55.660 57.810 -2.150 18091 7896 1 21 . 1 1 26 26 MET CB C 544 30.690 30.690 32.216 -1.526 18091 7897 1 21 . 1 1 26 26 MET H H 544 7.870 7.870 7.930 -0.060 18091 7898 1 21 . 1 1 27 27 GLN N N 545 115.210 115.210 117.488 -2.278 18091 7899 1 21 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.174 -0.094 18091 7900 1 21 . 1 1 27 27 GLN C C 545 175.170 175.170 176.112 -0.942 18091 7901 1 21 . 1 1 27 27 GLN CA C 545 55.440 55.440 57.162 -1.722 18091 7902 1 21 . 1 1 27 27 GLN CB C 545 28.990 28.990 28.835 0.155 18091 7903 1 21 . 1 1 27 27 GLN H H 545 7.340 7.340 7.696 -0.356 18091 7904 1 21 . 1 1 28 28 ASP N N 546 123.270 123.270 117.375 5.895 18091 7905 1 21 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.442 0.278 18091 7906 1 21 . 1 1 28 28 ASP C C 546 175.220 175.220 174.524 0.696 18091 7907 1 21 . 1 1 28 28 ASP CA C 546 51.340 51.340 57.134 -5.794 18091 7908 1 21 . 1 1 28 28 ASP CB C 546 42.380 42.380 38.772 3.608 18091 7909 1 21 . 1 1 28 28 ASP H H 546 7.320 7.320 8.295 -0.975 18091 7910 1 21 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.191 -0.071 18091 7911 1 21 . 1 1 29 29 PRO CA C 547 64.920 64.920 65.897 -0.977 18091 7912 1 21 . 1 1 29 29 PRO CB C 547 32.260 32.260 31.676 0.584 18091 7913 1 21 . 1 1 30 30 VAL N N 548 119.870 119.870 118.258 1.612 18091 7914 1 21 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.713 -0.133 18091 7915 1 21 . 1 1 30 30 VAL C C 548 179.010 179.010 178.274 0.736 18091 7916 1 21 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.599 -0.599 18091 7917 1 21 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.153 -0.043 18091 7918 1 21 . 1 1 30 30 VAL H H 548 8.000 8.000 8.006 -0.006 18091 7919 1 21 . 1 1 31 31 MET N N 549 118.270 118.270 118.055 0.215 18091 7920 1 21 . 1 1 31 31 MET HA H 549 4.340 4.340 4.012 0.328 18091 7921 1 21 . 1 1 31 31 MET C C 549 178.830 178.830 178.285 0.545 18091 7922 1 21 . 1 1 31 31 MET CA C 549 55.140 55.140 59.096 -3.956 18091 7923 1 21 . 1 1 31 31 MET CB C 549 28.840 28.840 32.126 -3.286 18091 7924 1 21 . 1 1 31 31 MET H H 549 7.250 7.250 7.649 -0.399 18091 7925 1 21 . 1 1 32 32 GLN N N 550 118.190 118.190 119.841 -1.651 18091 7926 1 21 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.935 -0.195 18091 7927 1 21 . 1 1 32 32 GLN C C 550 178.840 178.840 178.211 0.629 18091 7928 1 21 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.431 -0.011 18091 7929 1 21 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.597 -0.937 18091 7930 1 21 . 1 1 32 32 GLN H H 550 8.310 8.310 7.832 0.478 18091 7931 1 21 . 1 1 33 33 SER N N 551 114.010 114.010 115.335 -1.325 18091 7932 1 21 . 1 1 33 33 SER HA H 551 4.140 4.140 4.213 -0.073 18091 7933 1 21 . 1 1 33 33 SER C C 551 176.840 176.840 176.854 -0.014 18091 7934 1 21 . 1 1 33 33 SER CA C 551 61.330 61.330 61.967 -0.637 18091 7935 1 21 . 1 1 33 33 SER CB C 551 62.450 62.450 62.974 -0.523 18091 7936 1 21 . 1 1 33 33 SER H H 551 7.570 7.570 7.551 0.019 18091 7937 1 21 . 1 1 34 34 ILE N N 552 123.490 123.490 122.181 1.309 18091 7938 1 21 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.777 -0.497 18091 7939 1 21 . 1 1 34 34 ILE C C 552 177.630 177.630 178.403 -0.773 18091 7940 1 21 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.194 0.486 18091 7941 1 21 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.737 -0.017 18091 7942 1 21 . 1 1 34 34 ILE H H 552 7.600 7.600 7.523 0.077 18091 7943 1 21 . 1 1 35 35 LEU N N 553 119.520 119.520 119.731 -0.211 18091 7944 1 21 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.834 -0.084 18091 7945 1 21 . 1 1 35 35 LEU C C 553 179.440 179.440 178.919 0.521 18091 7946 1 21 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.338 -0.388 18091 7947 1 21 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.260 -0.560 18091 7948 1 21 . 1 1 35 35 LEU H H 553 8.330 8.330 8.016 0.314 18091 7949 1 21 . 1 1 36 36 GLN N N 554 118.590 118.590 118.321 0.269 18091 7950 1 21 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.862 0.058 18091 7951 1 21 . 1 1 36 36 GLN C C 554 178.560 178.560 178.541 0.019 18091 7952 1 21 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.259 -0.599 18091 7953 1 21 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.568 -0.508 18091 7954 1 21 . 1 1 36 36 GLN H H 554 7.800 7.800 7.846 -0.046 18091 7955 1 21 . 1 1 37 37 GLN N N 555 119.520 119.520 118.722 0.798 18091 7956 1 21 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.014 -0.084 18091 7957 1 21 . 1 1 37 37 GLN C C 555 178.400 178.400 178.610 -0.210 18091 7958 1 21 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.547 -0.017 18091 7959 1 21 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.689 0.101 18091 7960 1 21 . 1 1 37 37 GLN H H 555 7.990 7.990 7.896 0.094 18091 7961 1 21 . 1 1 38 38 ALA N N 556 120.730 120.730 121.055 -0.325 18091 7962 1 21 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.302 -0.192 18091 7963 1 21 . 1 1 38 38 ALA C C 556 178.310 178.310 179.934 -1.624 18091 7964 1 21 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.796 -1.296 18091 7965 1 21 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.346 0.024 18091 7966 1 21 . 1 1 38 38 ALA H H 556 8.310 8.310 8.224 0.086 18091 7967 1 21 . 1 1 39 39 GLN N N 557 115.600 115.600 118.133 -2.533 18091 7968 1 21 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.074 -0.114 18091 7969 1 21 . 1 1 39 39 GLN C C 557 177.260 177.260 178.462 -1.202 18091 7970 1 21 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.139 -0.219 18091 7971 1 21 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.314 0.166 18091 7972 1 21 . 1 1 39 39 GLN H H 557 7.530 7.530 7.733 -0.203 18091 7973 1 21 . 1 1 40 40 GLN N N 558 115.310 115.310 116.600 -1.290 18091 7974 1 21 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.231 -0.051 18091 7975 1 21 . 1 1 40 40 GLN C C 558 176.030 176.030 176.125 -0.095 18091 7976 1 21 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.287 -0.737 18091 7977 1 21 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.865 -0.545 18091 7978 1 21 . 1 1 40 40 GLN H H 558 7.350 7.350 7.635 -0.285 18091 7979 1 21 . 1 1 41 41 ASN N N 559 114.850 114.850 115.798 -0.948 18091 7980 1 21 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.080 -0.130 18091 7981 1 21 . 1 1 41 41 ASN C C 559 172.420 172.420 173.306 -0.886 18091 7982 1 21 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.021 -0.591 18091 7983 1 21 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.576 -1.696 18091 7984 1 21 . 1 1 41 41 ASN H H 559 7.900 7.900 7.925 -0.025 18091 7985 1 21 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.467 -0.137 18091 7986 1 21 . 1 1 42 42 PRO CA C 560 65.000 65.000 65.148 -0.148 18091 7987 1 21 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.005 -0.325 18091 7988 1 21 . 1 1 43 43 ALA N N 561 119.920 119.920 120.536 -0.616 18091 7989 1 21 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.156 -0.026 18091 7990 1 21 . 1 1 43 43 ALA C C 561 179.510 179.510 179.204 0.306 18091 7991 1 21 . 1 1 43 43 ALA CA C 561 54.050 54.050 53.953 0.097 18091 7992 1 21 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.031 0.019 18091 7993 1 21 . 1 1 43 43 ALA H H 561 7.850 7.850 7.982 -0.132 18091 7994 1 21 . 1 1 44 44 ALA N N 562 120.790 120.790 121.291 -0.501 18091 7995 1 21 . 1 1 44 44 ALA HA H 562 4.020 4.020 3.928 0.092 18091 7996 1 21 . 1 1 44 44 ALA C C 562 179.570 179.570 179.221 0.349 18091 7997 1 21 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.249 -1.129 18091 7998 1 21 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.631 -0.431 18091 7999 1 21 . 1 1 44 44 ALA H H 562 7.980 7.980 8.074 -0.094 18091 8000 1 21 . 1 1 45 45 LEU N N 563 116.420 116.420 115.948 0.472 18091 8001 1 21 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.438 -0.458 18091 8002 1 21 . 1 1 45 45 LEU C C 563 178.220 178.220 178.880 -0.660 18091 8003 1 21 . 1 1 45 45 LEU CA C 563 57.640 57.640 57.120 0.520 18091 8004 1 21 . 1 1 45 45 LEU CB C 563 41.690 41.690 41.041 0.649 18091 8005 1 21 . 1 1 45 45 LEU H H 563 7.510 7.510 7.497 0.013 18091 8006 1 21 . 1 1 46 46 GLN N N 564 115.510 115.510 120.692 -5.182 18091 8007 1 21 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.954 -0.094 18091 8008 1 21 . 1 1 46 46 GLN C C 564 178.300 178.300 177.977 0.323 18091 8009 1 21 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.300 -0.580 18091 8010 1 21 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.517 -0.497 18091 8011 1 21 . 1 1 46 46 GLN H H 564 7.510 7.510 7.676 -0.166 18091 8012 1 21 . 1 1 47 47 GLU N N 565 117.680 117.680 118.253 -0.573 18091 8013 1 21 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.947 -0.047 18091 8014 1 21 . 1 1 47 47 GLU C C 565 179.070 179.070 179.034 0.036 18091 8015 1 21 . 1 1 47 47 GLU CA C 565 58.380 58.380 59.020 -0.640 18091 8016 1 21 . 1 1 47 47 GLU CB C 565 28.990 28.990 28.931 0.059 18091 8017 1 21 . 1 1 47 47 GLU H H 565 7.440 7.440 7.890 -0.450 18091 8018 1 21 . 1 1 48 48 HIS N N 566 118.220 118.220 119.325 -1.105 18091 8019 1 21 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.289 0.091 18091 8020 1 21 . 1 1 48 48 HIS C C 566 177.280 177.280 176.851 0.429 18091 8021 1 21 . 1 1 48 48 HIS CA C 566 58.860 58.860 58.656 0.204 18091 8022 1 21 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.805 1.635 18091 8023 1 21 . 1 1 48 48 HIS H H 566 7.420 7.420 7.575 -0.155 18091 8024 1 21 . 1 1 49 49 MET N N 567 115.200 115.200 117.418 -2.218 18091 8025 1 21 . 1 1 49 49 MET HA H 567 3.840 3.840 4.310 -0.470 18091 8026 1 21 . 1 1 49 49 MET C C 567 175.260 175.260 177.900 -2.640 18091 8027 1 21 . 1 1 49 49 MET CA C 567 57.840 57.840 58.491 -0.651 18091 8028 1 21 . 1 1 49 49 MET CB C 567 33.080 33.080 32.715 0.365 18091 8029 1 21 . 1 1 49 49 MET H H 567 7.710 7.710 7.839 -0.129 18091 8030 1 21 . 1 1 50 50 LYS N N 568 116.040 116.040 116.575 -0.535 18091 8031 1 21 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.039 -0.079 18091 8032 1 21 . 1 1 50 50 LYS C C 568 176.220 176.220 177.261 -1.041 18091 8033 1 21 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.632 -0.242 18091 8034 1 21 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.616 -0.396 18091 8035 1 21 . 1 1 50 50 LYS H H 568 7.140 7.140 7.573 -0.433 18091 8036 1 21 . 1 1 51 51 ASN N N 569 119.600 119.600 119.242 0.358 18091 8037 1 21 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.743 0.277 18091 8038 1 21 . 1 1 51 51 ASN C C 569 173.920 173.920 175.043 -1.123 18091 8039 1 21 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.972 -2.022 18091 8040 1 21 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.709 -0.709 18091 8041 1 21 . 1 1 51 51 ASN H H 569 7.480 7.480 7.868 -0.388 18091 8042 1 21 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.272 -0.012 18091 8043 1 21 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.947 -0.837 18091 8044 1 21 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.090 0.180 18091 8045 1 21 . 1 1 53 53 GLU N N 571 116.870 116.870 119.164 -2.294 18091 8046 1 21 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.162 -0.092 18091 8047 1 21 . 1 1 53 53 GLU C C 571 178.830 178.830 179.015 -0.185 18091 8048 1 21 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.633 -0.753 18091 8049 1 21 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.459 -0.029 18091 8050 1 21 . 1 1 53 53 GLU H H 571 7.960 7.960 8.729 -0.769 18091 8051 1 21 . 1 1 54 54 VAL N N 572 118.290 118.290 119.328 -1.038 18091 8052 1 21 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.822 -0.162 18091 8053 1 21 . 1 1 54 54 VAL C C 572 177.620 177.620 178.084 -0.464 18091 8054 1 21 . 1 1 54 54 VAL CA C 572 65.100 65.100 66.017 -0.917 18091 8055 1 21 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.152 1.058 18091 8056 1 21 . 1 1 54 54 VAL H H 572 7.330 7.330 7.907 -0.577 18091 8057 1 21 . 1 1 55 55 PHE N N 573 121.090 121.090 122.215 -1.125 18091 8058 1 21 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.143 -0.253 18091 8059 1 21 . 1 1 55 55 PHE C C 573 176.760 176.760 176.975 -0.215 18091 8060 1 21 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.975 0.255 18091 8061 1 21 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.775 -0.155 18091 8062 1 21 . 1 1 55 55 PHE H H 573 8.700 8.700 9.014 -0.314 18091 8063 1 21 . 1 1 56 56 LYS N N 574 116.910 116.910 118.878 -1.968 18091 8064 1 21 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.694 0.096 18091 8065 1 21 . 1 1 56 56 LYS C C 574 178.980 178.980 179.123 -0.143 18091 8066 1 21 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.425 0.055 18091 8067 1 21 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.250 -0.050 18091 8068 1 21 . 1 1 56 56 LYS H H 574 7.800 7.800 7.864 -0.064 18091 8069 1 21 . 1 1 57 57 LYS N N 575 119.120 119.120 119.959 -0.839 18091 8070 1 21 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.979 -0.069 18091 8071 1 21 . 1 1 57 57 LYS C C 575 178.520 178.520 178.965 -0.445 18091 8072 1 21 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.481 0.469 18091 8073 1 21 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.387 0.673 18091 8074 1 21 . 1 1 57 57 LYS H H 575 7.170 7.170 7.299 -0.129 18091 8075 1 21 . 1 1 58 58 ILE N N 576 119.180 119.180 119.350 -0.170 18091 8076 1 21 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.639 -0.319 18091 8077 1 21 . 1 1 58 58 ILE C C 576 177.820 177.820 178.278 -0.458 18091 8078 1 21 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.346 0.184 18091 8079 1 21 . 1 1 58 58 ILE CB C 576 36.250 36.250 37.004 -0.754 18091 8080 1 21 . 1 1 58 58 ILE H H 576 8.300 8.300 8.517 -0.217 18091 8081 1 21 . 1 1 59 59 GLN N N 577 118.000 118.000 118.226 -0.226 18091 8082 1 21 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.857 -0.187 18091 8083 1 21 . 1 1 59 59 GLN C C 577 179.250 179.250 178.636 0.614 18091 8084 1 21 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.020 0.100 18091 8085 1 21 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.309 -0.469 18091 8086 1 21 . 1 1 59 59 GLN H H 577 8.180 8.180 7.832 0.348 18091 8087 1 21 . 1 1 60 60 THR N N 578 118.670 118.670 117.008 1.662 18091 8088 1 21 . 1 1 60 60 THR HA H 578 3.760 3.760 3.919 -0.159 18091 8089 1 21 . 1 1 60 60 THR C C 578 176.060 176.060 176.495 -0.435 18091 8090 1 21 . 1 1 60 60 THR CA C 578 66.890 66.890 67.290 -0.399 18091 8091 1 21 . 1 1 60 60 THR CB C 578 68.030 68.030 68.571 -0.541 18091 8092 1 21 . 1 1 60 60 THR H H 578 7.780 7.780 7.700 0.080 18091 8093 1 21 . 1 1 61 61 LEU N N 579 120.680 120.680 120.651 0.029 18091 8094 1 21 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.993 -0.143 18091 8095 1 21 . 1 1 61 61 LEU C C 579 179.590 179.590 178.817 0.773 18091 8096 1 21 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.689 -0.039 18091 8097 1 21 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.240 -0.260 18091 8098 1 21 . 1 1 61 61 LEU H H 579 7.620 7.620 7.385 0.235 18091 8099 1 21 . 1 1 62 62 ILE N N 580 122.880 122.880 120.144 2.736 18091 8100 1 21 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.742 0.288 18091 8101 1 21 . 1 1 62 62 ILE C C 580 180.260 180.260 179.016 1.244 18091 8102 1 21 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.984 -0.254 18091 8103 1 21 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.730 0.580 18091 8104 1 21 . 1 1 62 62 ILE H H 580 8.540 8.540 7.500 1.040 18091 8105 1 21 . 1 1 63 63 ALA N N 581 124.510 124.510 122.857 1.653 18091 8106 1 21 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.065 -0.095 18091 8107 1 21 . 1 1 63 63 ALA C C 581 179.000 179.000 178.752 0.248 18091 8108 1 21 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.722 0.118 18091 8109 1 21 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.365 -0.865 18091 8110 1 21 . 1 1 63 63 ALA H H 581 8.120 8.120 8.196 -0.076 18091 8111 1 21 . 1 1 64 64 ALA N N 582 116.250 116.250 118.612 -2.362 18091 8112 1 21 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.275 -0.135 18091 8113 1 21 . 1 1 64 64 ALA C C 582 177.040 177.040 177.677 -0.637 18091 8114 1 21 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.698 0.482 18091 8115 1 21 . 1 1 64 64 ALA CB C 582 19.860 19.860 18.841 1.019 18091 8116 1 21 . 1 1 64 64 ALA H H 582 7.470 7.470 7.521 -0.051 18091 8117 1 21 . 1 1 65 65 GLY N N 583 104.540 104.540 106.516 -1.976 18091 8118 1 21 . 1 1 65 65 GLY C C 583 174.180 174.180 175.098 -0.918 18091 8119 1 21 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.862 -1.072 18091 8120 1 21 . 1 1 65 65 GLY H H 583 7.600 7.600 7.555 0.045 18091 8121 1 21 . 1 1 66 66 ILE N N 584 118.630 118.630 117.647 0.983 18091 8122 1 21 . 1 1 66 66 ILE HA H 584 3.760 3.760 4.112 -0.352 18091 8123 1 21 . 1 1 66 66 ILE C C 584 175.660 175.660 175.661 -0.001 18091 8124 1 21 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.510 -0.960 18091 8125 1 21 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.641 -1.031 18091 8126 1 21 . 1 1 66 66 ILE H H 584 7.590 7.590 7.669 -0.079 18091 8127 1 21 . 1 1 67 67 ILE N N 585 116.360 116.360 119.662 -3.302 18091 8128 1 21 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.298 -0.128 18091 8129 1 21 . 1 1 67 67 ILE C C 585 174.370 174.370 174.815 -0.445 18091 8130 1 21 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.119 -0.639 18091 8131 1 21 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.636 -1.006 18091 8132 1 21 . 1 1 67 67 ILE H H 585 6.490 6.490 7.310 -0.820 18091 8133 1 21 . 1 1 68 68 ARG N N 586 125.450 125.450 125.745 -0.295 18091 8134 1 21 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.610 -0.230 18091 8135 1 21 . 1 1 68 68 ARG C C 586 175.720 175.720 175.871 -0.151 18091 8136 1 21 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.035 -1.115 18091 8137 1 21 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.927 0.393 18091 8138 1 21 . 1 1 68 68 ARG H H 586 8.500 8.500 8.595 -0.095 18091 8139 1 21 . 1 1 69 69 THR N N 587 113.710 113.710 115.433 -1.723 18091 8140 1 21 . 1 1 69 69 THR HA H 587 4.300 4.300 4.534 -0.234 18091 8141 1 21 . 1 1 69 69 THR C C 587 174.760 174.760 175.382 -0.622 18091 8142 1 21 . 1 1 69 69 THR CA C 587 61.300 61.300 60.804 0.496 18091 8143 1 21 . 1 1 69 69 THR CB C 587 69.720 69.720 70.167 -0.447 18091 8144 1 21 . 1 1 69 69 THR H H 587 8.250 8.250 8.526 -0.276 18091 8145 1 21 . 1 1 70 70 GLY N N 588 110.720 110.720 111.039 -0.319 18091 8146 1 21 . 1 1 70 70 GLY C C 588 172.820 172.820 174.032 -1.212 18091 8147 1 21 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.599 0.562 18091 8148 1 21 . 1 1 70 70 GLY H H 588 8.230 8.230 8.685 -0.455 18091 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 62 1.718 0.168 1.723 18091 2 1 1 "Average Difference" HA 72 0.207 0.119 0.170 18091 3 1 1 "Average Difference" C 63 0.787 0.219 0.762 18091 4 1 1 "Average Difference" CA 69 1.016 0.394 0.944 18091 5 1 1 "Average Difference" CB 66 0.792 0.164 0.781 18091 6 1 1 "Average Difference" HN 62 0.407 0.008 0.410 18091 7 1 2 "Average Difference" N 62 1.948 0.050 1.964 18091 8 1 2 "Average Difference" HA 72 0.238 0.119 0.207 18091 9 1 2 "Average Difference" C 63 0.854 0.155 0.846 18091 10 1 2 "Average Difference" CA 69 1.011 0.422 0.926 18091 11 1 2 "Average Difference" CB 66 0.793 0.200 0.774 18091 12 1 2 "Average Difference" HN 62 0.392 0.023 0.394 18091 13 1 3 "Average Difference" N 62 1.970 0.102 1.983 18091 14 1 3 "Average Difference" HA 72 0.225 0.118 0.193 18091 15 1 3 "Average Difference" C 63 0.709 0.049 0.713 18091 16 1 3 "Average Difference" CA 69 0.947 0.423 0.853 18091 17 1 3 "Average Difference" CB 66 0.806 0.228 0.779 18091 18 1 3 "Average Difference" HN 62 0.370 0.034 0.371 18091 19 1 4 "Average Difference" N 62 1.825 0.259 1.821 18091 20 1 4 "Average Difference" HA 72 0.259 0.154 0.209 18091 21 1 4 "Average Difference" C 63 0.798 0.056 0.803 18091 22 1 4 "Average Difference" CA 69 0.926 0.381 0.850 18091 23 1 4 "Average Difference" CB 66 0.831 0.257 0.796 18091 24 1 4 "Average Difference" HN 62 0.375 0.060 0.373 18091 25 1 5 "Average Difference" N 62 1.959 0.318 1.949 18091 26 1 5 "Average Difference" HA 72 0.234 0.119 0.203 18091 27 1 5 "Average Difference" C 63 0.788 0.163 0.778 18091 28 1 5 "Average Difference" CA 69 1.156 0.478 1.061 18091 29 1 5 "Average Difference" CB 66 0.926 0.156 0.920 18091 30 1 5 "Average Difference" HN 62 0.400 0.080 0.396 18091 31 1 6 "Average Difference" N 62 1.764 0.234 1.763 18091 32 1 6 "Average Difference" HA 72 0.240 0.147 0.191 18091 33 1 6 "Average Difference" C 63 0.810 0.132 0.805 18091 34 1 6 "Average Difference" CA 69 0.939 0.337 0.883 18091 35 1 6 "Average Difference" CB 66 0.805 0.239 0.775 18091 36 1 6 "Average Difference" HN 62 0.384 0.045 0.384 18091 37 1 7 "Average Difference" N 62 1.838 0.264 1.833 18091 38 1 7 "Average Difference" HA 72 0.241 0.140 0.197 18091 39 1 7 "Average Difference" C 63 0.791 0.125 0.788 18091 40 1 7 "Average Difference" CA 69 0.897 0.303 0.850 18091 41 1 7 "Average Difference" CB 66 0.811 0.272 0.770 18091 42 1 7 "Average Difference" HN 62 0.376 0.044 0.376 18091 43 1 8 "Average Difference" N 62 1.940 0.321 1.929 18091 44 1 8 "Average Difference" HA 72 0.249 0.124 0.218 18091 45 1 8 "Average Difference" C 63 0.762 0.082 0.764 18091 46 1 8 "Average Difference" CA 69 1.129 0.464 1.037 18091 47 1 8 "Average Difference" CB 66 0.889 0.161 0.881 18091 48 1 8 "Average Difference" HN 62 0.383 0.063 0.381 18091 49 1 9 "Average Difference" N 62 1.740 0.207 1.742 18091 50 1 9 "Average Difference" HA 72 0.212 0.110 0.182 18091 51 1 9 "Average Difference" C 63 0.807 0.164 0.796 18091 52 1 9 "Average Difference" CA 69 1.027 0.455 0.928 18091 53 1 9 "Average Difference" CB 66 0.813 0.196 0.795 18091 54 1 9 "Average Difference" HN 62 0.343 0.032 0.345 18091 55 1 10 "Average Difference" N 62 1.705 0.262 1.698 18091 56 1 10 "Average Difference" HA 72 0.199 0.116 0.163 18091 57 1 10 "Average Difference" C 63 0.791 0.217 0.767 18091 58 1 10 "Average Difference" CA 69 0.960 0.367 0.894 18091 59 1 10 "Average Difference" CB 66 0.895 0.191 0.881 18091 60 1 10 "Average Difference" HN 62 0.358 0.016 0.360 18091 61 1 11 "Average Difference" N 62 1.846 0.323 1.833 18091 62 1 11 "Average Difference" HA 72 0.228 0.112 0.200 18091 63 1 11 "Average Difference" C 63 0.834 0.153 0.826 18091 64 1 11 "Average Difference" CA 69 0.986 0.397 0.909 18091 65 1 11 "Average Difference" CB 66 0.853 0.179 0.840 18091 66 1 11 "Average Difference" HN 62 0.363 0.027 0.365 18091 67 1 12 "Average Difference" N 62 1.925 0.186 1.931 18091 68 1 12 "Average Difference" HA 72 0.231 0.126 0.195 18091 69 1 12 "Average Difference" C 63 0.866 0.156 0.859 18091 70 1 12 "Average Difference" CA 69 0.907 0.388 0.825 18091 71 1 12 "Average Difference" CB 66 0.847 0.316 0.792 18091 72 1 12 "Average Difference" HN 62 0.380 0.043 0.381 18091 73 1 13 "Average Difference" N 62 1.660 0.379 1.629 18091 74 1 13 "Average Difference" HA 72 0.221 0.111 0.192 18091 75 1 13 "Average Difference" C 63 0.798 0.192 0.781 18091 76 1 13 "Average Difference" CA 69 0.981 0.398 0.903 18091 77 1 13 "Average Difference" CB 66 0.884 0.178 0.872 18091 78 1 13 "Average Difference" HN 62 0.325 0.003 0.327 18091 79 1 14 "Average Difference" N 62 1.857 0.345 1.839 18091 80 1 14 "Average Difference" HA 72 0.206 0.130 0.160 18091 81 1 14 "Average Difference" C 63 0.806 0.178 0.792 18091 82 1 14 "Average Difference" CA 69 0.896 0.349 0.832 18091 83 1 14 "Average Difference" CB 66 0.792 0.293 0.742 18091 84 1 14 "Average Difference" HN 62 0.352 0.046 0.352 18091 85 1 15 "Average Difference" N 62 1.628 0.281 1.617 18091 86 1 15 "Average Difference" HA 72 0.217 0.123 0.179 18091 87 1 15 "Average Difference" C 63 0.789 0.146 0.782 18091 88 1 15 "Average Difference" CA 69 0.899 0.345 0.836 18091 89 1 15 "Average Difference" CB 66 0.796 0.207 0.775 18091 90 1 15 "Average Difference" HN 62 0.360 0.022 0.362 18091 91 1 16 "Average Difference" N 62 1.755 0.358 1.732 18091 92 1 16 "Average Difference" HA 72 0.209 0.097 0.186 18091 93 1 16 "Average Difference" C 63 0.835 0.220 0.812 18091 94 1 16 "Average Difference" CA 69 1.140 0.428 1.065 18091 95 1 16 "Average Difference" CB 66 0.838 0.165 0.828 18091 96 1 16 "Average Difference" HN 62 0.349 0.023 0.351 18091 97 1 17 "Average Difference" N 62 1.755 0.512 1.693 18091 98 1 17 "Average Difference" HA 72 0.221 0.130 0.181 18091 99 1 17 "Average Difference" C 63 0.741 0.199 0.719 18091 100 1 17 "Average Difference" CA 69 0.865 0.323 0.809 18091 101 1 17 "Average Difference" CB 66 0.794 0.246 0.761 18091 102 1 17 "Average Difference" HN 62 0.358 0.050 0.358 18091 103 1 18 "Average Difference" N 62 1.777 0.246 1.774 18091 104 1 18 "Average Difference" HA 72 0.214 0.104 0.188 18091 105 1 18 "Average Difference" C 63 0.819 0.177 0.806 18091 106 1 18 "Average Difference" CA 69 0.975 0.343 0.920 18091 107 1 18 "Average Difference" CB 66 0.896 0.213 0.877 18091 108 1 18 "Average Difference" HN 62 0.377 0.022 0.380 18091 109 1 19 "Average Difference" N 62 1.806 0.377 1.781 18091 110 1 19 "Average Difference" HA 72 0.211 0.109 0.182 18091 111 1 19 "Average Difference" C 63 0.815 0.159 0.806 18091 112 1 19 "Average Difference" CA 69 0.914 0.348 0.851 18091 113 1 19 "Average Difference" CB 66 0.818 0.271 0.778 18091 114 1 19 "Average Difference" HN 62 0.380 0.050 0.380 18091 115 1 20 "Average Difference" N 62 1.935 0.248 1.935 18091 116 1 20 "Average Difference" HA 72 0.256 0.144 0.214 18091 117 1 20 "Average Difference" C 63 0.797 0.075 0.800 18091 118 1 20 "Average Difference" CA 69 0.917 0.333 0.860 18091 119 1 20 "Average Difference" CB 66 0.830 0.240 0.800 18091 120 1 20 "Average Difference" HN 62 0.384 0.042 0.385 18091 121 1 21 "Average Difference" N 62 2.022 0.446 1.988 18091 122 1 21 "Average Difference" HA 72 0.212 0.106 0.185 18091 123 1 21 "Average Difference" C 63 0.765 0.166 0.753 18091 124 1 21 "Average Difference" CA 69 1.141 0.523 1.021 18091 125 1 21 "Average Difference" CB 66 0.880 0.183 0.867 18091 126 1 21 "Average Difference" HN 62 0.377 0.085 0.370 18091 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 18091 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 PRO HA H 520 4.230 4.230 4.538 -0.308 18091 2 1 . 1 1 2 2 PRO CA C 520 63.250 63.250 63.191 0.059 18091 3 1 . 1 1 2 2 PRO CB C 520 31.960 31.960 32.469 -0.509 18091 4 1 . 1 1 3 3 GLY N N 521 109.400 109.400 109.547 -0.147 18091 5 1 . 1 1 3 3 GLY C C 521 174.300 174.300 174.102 0.198 18091 6 1 . 1 1 3 3 GLY CA C 521 45.180 45.180 44.971 0.209 18091 7 1 . 1 1 3 3 GLY H H 521 8.490 8.490 8.509 -0.019 18091 8 1 . 1 1 4 4 THR N N 522 112.480 112.480 112.291 0.189 18091 9 1 . 1 1 4 4 THR HA H 522 4.300 4.300 4.468 -0.168 18091 10 1 . 1 1 4 4 THR C C 522 174.690 174.690 174.509 0.181 18091 11 1 . 1 1 4 4 THR CA C 522 61.240 61.240 61.794 -0.554 18091 12 1 . 1 1 4 4 THR CB C 522 69.960 69.960 70.000 -0.040 18091 13 1 . 1 1 4 4 THR H H 522 7.860 7.860 7.963 -0.103 18091 14 1 . 1 1 5 5 SER N N 523 117.450 117.450 116.856 0.594 18091 15 1 . 1 1 5 5 SER HA H 523 3.890 3.890 4.481 -0.591 18091 16 1 . 1 1 5 5 SER C C 523 173.320 173.320 173.909 -0.589 18091 17 1 . 1 1 5 5 SER CA C 523 58.460 58.460 58.360 0.100 18091 18 1 . 1 1 5 5 SER CB C 523 63.690 63.690 64.067 -0.377 18091 19 1 . 1 1 5 5 SER H H 523 8.300 8.300 8.193 0.107 18091 20 1 . 1 1 6 6 ASN HA H 524 4.350 4.350 4.752 -0.402 18091 21 1 . 1 1 6 6 ASN C C 524 174.670 174.670 174.449 0.221 18091 22 1 . 1 1 6 6 ASN CA C 524 53.060 53.060 53.551 -0.491 18091 23 1 . 1 1 6 6 ASN CB C 524 38.710 38.710 39.017 -0.307 18091 24 1 . 1 1 7 7 GLU N N 525 120.970 120.970 120.937 0.033 18091 25 1 . 1 1 7 7 GLU HA H 525 4.340 4.340 4.456 -0.115 18091 26 1 . 1 1 7 7 GLU C C 525 176.900 176.900 175.465 1.435 18091 27 1 . 1 1 7 7 GLU CA C 525 56.040 56.040 56.034 0.006 18091 28 1 . 1 1 7 7 GLU CB C 525 31.070 31.070 31.496 -0.426 18091 29 1 . 1 1 7 7 GLU H H 525 7.970 7.970 8.268 -0.298 18091 30 1 . 1 1 8 8 THR N N 526 116.960 116.960 113.946 3.014 18091 31 1 . 1 1 8 8 THR HA H 526 4.540 4.540 4.468 0.072 18091 32 1 . 1 1 8 8 THR C C 526 173.410 173.410 173.809 -0.399 18091 33 1 . 1 1 8 8 THR CA C 526 60.080 60.080 60.755 -0.675 18091 34 1 . 1 1 8 8 THR CB C 526 68.500 68.500 68.226 0.274 18091 35 1 . 1 1 8 8 THR H H 526 8.630 8.630 8.331 0.299 18091 36 1 . 1 1 9 9 PRO HA H 527 4.190 4.190 4.193 -0.003 18091 37 1 . 1 1 9 9 PRO CA C 527 65.110 65.110 64.813 0.297 18091 38 1 . 1 1 9 9 PRO CB C 527 31.580 31.580 31.879 -0.299 18091 39 1 . 1 1 10 10 GLU N N 528 118.610 118.610 117.455 1.155 18091 40 1 . 1 1 10 10 GLU HA H 528 3.980 3.980 4.046 -0.066 18091 41 1 . 1 1 10 10 GLU C C 528 178.550 178.550 178.572 -0.022 18091 42 1 . 1 1 10 10 GLU CA C 528 59.580 59.580 59.598 -0.018 18091 43 1 . 1 1 10 10 GLU CB C 528 28.990 28.990 29.152 -0.162 18091 44 1 . 1 1 10 10 GLU H H 528 8.550 8.550 8.772 -0.222 18091 45 1 . 1 1 11 11 GLU N N 529 121.090 121.090 119.150 1.940 18091 46 1 . 1 1 11 11 GLU HA H 529 3.930 3.930 4.122 -0.192 18091 47 1 . 1 1 11 11 GLU C C 529 179.470 179.470 178.698 0.772 18091 48 1 . 1 1 11 11 GLU CA C 529 58.950 58.950 59.434 -0.484 18091 49 1 . 1 1 11 11 GLU CB C 529 29.480 29.480 29.562 -0.082 18091 50 1 . 1 1 11 11 GLU H H 529 7.870 7.870 8.056 -0.186 18091 51 1 . 1 1 12 12 THR N N 530 118.050 118.050 116.850 1.200 18091 52 1 . 1 1 12 12 THR HA H 530 3.750 3.750 3.985 -0.235 18091 53 1 . 1 1 12 12 THR C C 530 175.770 175.770 176.494 -0.724 18091 54 1 . 1 1 12 12 THR CA C 530 66.320 66.320 67.153 -0.833 18091 55 1 . 1 1 12 12 THR CB C 530 68.430 68.430 68.665 -0.235 18091 56 1 . 1 1 12 12 THR H H 530 8.390 8.390 7.446 0.944 18091 57 1 . 1 1 13 13 TYR N N 531 122.280 122.280 121.017 1.263 18091 58 1 . 1 1 13 13 TYR HA H 531 3.820 3.820 4.059 -0.239 18091 59 1 . 1 1 13 13 TYR C C 531 176.420 176.420 178.033 -1.613 18091 60 1 . 1 1 13 13 TYR CA C 531 61.440 61.440 61.539 -0.099 18091 61 1 . 1 1 13 13 TYR CB C 531 38.110 38.110 37.580 0.530 18091 62 1 . 1 1 13 13 TYR H H 531 8.050 8.050 7.806 0.244 18091 63 1 . 1 1 14 14 GLN N N 532 116.250 116.250 117.967 -1.717 18091 64 1 . 1 1 14 14 GLN HA H 532 3.690 3.690 3.929 -0.239 18091 65 1 . 1 1 14 14 GLN C C 532 178.800 178.800 178.449 0.351 18091 66 1 . 1 1 14 14 GLN CA C 532 58.620 58.620 58.985 -0.365 18091 67 1 . 1 1 14 14 GLN CB C 532 28.060 28.060 28.419 -0.359 18091 68 1 . 1 1 14 14 GLN H H 532 8.010 8.010 7.916 0.094 18091 69 1 . 1 1 15 15 ARG N N 533 118.730 118.730 119.712 -0.982 18091 70 1 . 1 1 15 15 ARG HA H 533 3.920 3.920 4.017 -0.097 18091 71 1 . 1 1 15 15 ARG C C 533 179.030 179.030 178.958 0.072 18091 72 1 . 1 1 15 15 ARG CA C 533 59.140 59.140 59.006 0.134 18091 73 1 . 1 1 15 15 ARG CB C 533 29.800 29.800 30.098 -0.298 18091 74 1 . 1 1 15 15 ARG H H 533 7.800 7.800 7.868 -0.068 18091 75 1 . 1 1 16 16 ALA N N 534 123.500 123.500 121.993 1.507 18091 76 1 . 1 1 16 16 ALA HA H 534 3.960 3.960 4.034 -0.074 18091 77 1 . 1 1 16 16 ALA C C 534 178.860 178.860 179.799 -0.939 18091 78 1 . 1 1 16 16 ALA CA C 534 54.670 54.670 54.790 -0.120 18091 79 1 . 1 1 16 16 ALA CB C 534 18.730 18.730 18.336 0.394 18091 80 1 . 1 1 16 16 ALA H H 534 8.210 8.210 7.944 0.266 18091 81 1 . 1 1 17 17 MET N N 535 111.910 111.910 115.624 -3.714 18091 82 1 . 1 1 17 17 MET HA H 535 4.020 4.020 4.167 -0.147 18091 83 1 . 1 1 17 17 MET C C 535 176.890 176.890 177.389 -0.499 18091 84 1 . 1 1 17 17 MET CA C 535 55.200 55.200 57.352 -2.152 18091 85 1 . 1 1 17 17 MET CB C 535 31.110 31.110 32.080 -0.970 18091 86 1 . 1 1 17 17 MET H H 535 7.480 7.480 7.931 -0.451 18091 87 1 . 1 1 18 18 LYS N N 536 116.840 116.840 117.014 -0.174 18091 88 1 . 1 1 18 18 LYS HA H 536 3.990 3.990 4.169 -0.179 18091 89 1 . 1 1 18 18 LYS C C 536 176.690 176.690 176.521 0.169 18091 90 1 . 1 1 18 18 LYS CA C 536 56.590 56.590 57.008 -0.418 18091 91 1 . 1 1 18 18 LYS CB C 536 32.340 32.340 32.519 -0.179 18091 92 1 . 1 1 18 18 LYS H H 536 7.180 7.180 7.286 -0.106 18091 93 1 . 1 1 19 19 ASP N N 537 122.680 122.680 121.158 1.522 18091 94 1 . 1 1 19 19 ASP HA H 537 4.800 4.800 4.886 -0.086 18091 95 1 . 1 1 19 19 ASP C C 537 174.720 174.720 175.419 -0.699 18091 96 1 . 1 1 19 19 ASP CA C 537 51.090 51.090 51.063 0.027 18091 97 1 . 1 1 19 19 ASP CB C 537 41.970 41.970 41.440 0.530 18091 98 1 . 1 1 19 19 ASP H H 537 7.530 7.530 7.632 -0.102 18091 99 1 . 1 1 20 20 PRO HA H 538 4.140 4.140 4.233 -0.093 18091 100 1 . 1 1 20 20 PRO CA C 538 64.750 64.750 64.885 -0.135 18091 101 1 . 1 1 20 20 PRO CB C 538 32.120 32.120 32.122 -0.002 18091 102 1 . 1 1 21 21 GLU N N 539 118.590 118.590 117.905 0.685 18091 103 1 . 1 1 21 21 GLU HA H 539 4.010 4.010 4.059 -0.049 18091 104 1 . 1 1 21 21 GLU C C 539 179.010 179.010 178.968 0.042 18091 105 1 . 1 1 21 21 GLU CA C 539 58.850 58.850 59.143 -0.293 18091 106 1 . 1 1 21 21 GLU CB C 539 29.340 29.340 29.227 0.113 18091 107 1 . 1 1 21 21 GLU H H 539 8.200 8.200 8.029 0.171 18091 108 1 . 1 1 22 22 VAL N N 540 120.690 120.690 120.423 0.267 18091 109 1 . 1 1 22 22 VAL HA H 540 3.230 3.230 3.554 -0.324 18091 110 1 . 1 1 22 22 VAL C C 540 177.740 177.740 177.678 0.062 18091 111 1 . 1 1 22 22 VAL CA C 540 66.090 66.090 66.406 -0.316 18091 112 1 . 1 1 22 22 VAL CB C 540 31.350 31.350 31.414 -0.064 18091 113 1 . 1 1 22 22 VAL H H 540 7.350 7.350 7.630 -0.280 18091 114 1 . 1 1 23 23 ALA N N 541 121.460 121.460 122.111 -0.651 18091 115 1 . 1 1 23 23 ALA HA H 541 3.770 3.770 3.930 -0.160 18091 116 1 . 1 1 23 23 ALA C C 541 179.660 179.660 179.163 0.497 18091 117 1 . 1 1 23 23 ALA CA C 541 55.390 55.390 55.103 0.287 18091 118 1 . 1 1 23 23 ALA CB C 541 17.710 17.710 18.129 -0.419 18091 119 1 . 1 1 23 23 ALA H H 541 8.430 8.430 7.543 0.887 18091 120 1 . 1 1 24 24 ALA N N 542 117.000 117.000 120.970 -3.970 18091 121 1 . 1 1 24 24 ALA HA H 542 3.940 3.940 4.068 -0.128 18091 122 1 . 1 1 24 24 ALA C C 542 180.880 180.880 179.349 1.531 18091 123 1 . 1 1 24 24 ALA CA C 542 54.700 54.700 54.648 0.052 18091 124 1 . 1 1 24 24 ALA CB C 542 17.950 17.950 18.453 -0.502 18091 125 1 . 1 1 24 24 ALA H H 542 7.380 7.380 7.592 -0.212 18091 126 1 . 1 1 25 25 ILE N N 543 119.750 119.750 118.050 1.700 18091 127 1 . 1 1 25 25 ILE HA H 543 3.690 3.690 3.735 -0.045 18091 128 1 . 1 1 25 25 ILE C C 543 177.450 177.450 178.369 -0.919 18091 129 1 . 1 1 25 25 ILE CA C 543 64.960 64.960 64.580 0.380 18091 130 1 . 1 1 25 25 ILE CB C 543 38.280 38.280 38.161 0.119 18091 131 1 . 1 1 25 25 ILE H H 543 7.380 7.380 7.450 -0.070 18091 132 1 . 1 1 26 26 MET N N 544 113.830 113.830 117.218 -3.388 18091 133 1 . 1 1 26 26 MET HA H 544 4.140 4.140 4.101 0.039 18091 134 1 . 1 1 26 26 MET C C 544 177.680 177.680 177.709 -0.029 18091 135 1 . 1 1 26 26 MET CA C 544 55.660 55.660 58.453 -2.793 18091 136 1 . 1 1 26 26 MET CB C 544 30.690 30.690 32.589 -1.899 18091 137 1 . 1 1 26 26 MET H H 544 7.870 7.870 7.787 0.083 18091 138 1 . 1 1 27 27 GLN N N 545 115.210 115.210 115.950 -0.740 18091 139 1 . 1 1 27 27 GLN HA H 545 4.080 4.080 4.285 -0.205 18091 140 1 . 1 1 27 27 GLN C C 545 175.170 175.170 175.609 -0.439 18091 141 1 . 1 1 27 27 GLN CA C 545 55.440 55.440 56.132 -0.692 18091 142 1 . 1 1 27 27 GLN CB C 545 28.990 28.990 29.246 -0.256 18091 143 1 . 1 1 27 27 GLN H H 545 7.340 7.340 7.470 -0.130 18091 144 1 . 1 1 28 28 ASP N N 546 123.270 123.270 119.129 4.141 18091 145 1 . 1 1 28 28 ASP HA H 546 4.720 4.720 4.846 -0.126 18091 146 1 . 1 1 28 28 ASP C C 546 175.220 175.220 175.166 0.054 18091 147 1 . 1 1 28 28 ASP CA C 546 51.340 51.340 52.085 -0.745 18091 148 1 . 1 1 28 28 ASP CB C 546 42.380 42.380 41.886 0.494 18091 149 1 . 1 1 28 28 ASP H H 546 7.320 7.320 7.960 -0.640 18091 150 1 . 1 1 29 29 PRO HA H 547 4.120 4.120 4.353 -0.233 18091 151 1 . 1 1 29 29 PRO CA C 547 64.920 64.920 64.288 0.632 18091 152 1 . 1 1 29 29 PRO CB C 547 32.260 32.260 32.408 -0.148 18091 153 1 . 1 1 30 30 VAL N N 548 119.870 119.870 119.286 0.584 18091 154 1 . 1 1 30 30 VAL HA H 548 3.580 3.580 3.658 -0.078 18091 155 1 . 1 1 30 30 VAL C C 548 179.010 179.010 177.859 1.151 18091 156 1 . 1 1 30 30 VAL CA C 548 66.000 66.000 66.501 -0.501 18091 157 1 . 1 1 30 30 VAL CB C 548 31.110 31.110 31.358 -0.248 18091 158 1 . 1 1 30 30 VAL H H 548 8.000 8.000 7.904 0.096 18091 159 1 . 1 1 31 31 MET N N 549 118.270 118.270 117.088 1.182 18091 160 1 . 1 1 31 31 MET HA H 549 4.340 4.340 3.969 0.371 18091 161 1 . 1 1 31 31 MET C C 549 178.830 178.830 178.207 0.623 18091 162 1 . 1 1 31 31 MET CA C 549 55.140 55.140 59.030 -3.890 18091 163 1 . 1 1 31 31 MET CB C 549 28.840 28.840 32.139 -3.299 18091 164 1 . 1 1 31 31 MET H H 549 7.250 7.250 7.695 -0.445 18091 165 1 . 1 1 32 32 GLN N N 550 118.190 118.190 119.483 -1.293 18091 166 1 . 1 1 32 32 GLN HA H 550 3.740 3.740 3.940 -0.200 18091 167 1 . 1 1 32 32 GLN C C 550 178.840 178.840 178.332 0.508 18091 168 1 . 1 1 32 32 GLN CA C 550 59.420 59.420 59.247 0.173 18091 169 1 . 1 1 32 32 GLN CB C 550 27.660 27.660 28.365 -0.705 18091 170 1 . 1 1 32 32 GLN H H 550 8.310 8.310 8.102 0.208 18091 171 1 . 1 1 33 33 SER N N 551 114.010 114.010 115.655 -1.645 18091 172 1 . 1 1 33 33 SER HA H 551 4.140 4.140 4.198 -0.058 18091 173 1 . 1 1 33 33 SER C C 551 176.840 176.840 176.749 0.091 18091 174 1 . 1 1 33 33 SER CA C 551 61.330 61.330 61.875 -0.545 18091 175 1 . 1 1 33 33 SER CB C 551 62.450 62.450 63.003 -0.553 18091 176 1 . 1 1 33 33 SER H H 551 7.570 7.570 7.618 -0.048 18091 177 1 . 1 1 34 34 ILE N N 552 123.490 123.490 122.559 0.931 18091 178 1 . 1 1 34 34 ILE HA H 552 3.280 3.280 3.582 -0.302 18091 179 1 . 1 1 34 34 ILE C C 552 177.630 177.630 177.935 -0.305 18091 180 1 . 1 1 34 34 ILE CA C 552 65.680 65.680 65.057 0.623 18091 181 1 . 1 1 34 34 ILE CB C 552 37.720 37.720 37.460 0.260 18091 182 1 . 1 1 34 34 ILE H H 552 7.600 7.600 7.503 0.097 18091 183 1 . 1 1 35 35 LEU N N 553 119.520 119.520 119.506 0.014 18091 184 1 . 1 1 35 35 LEU HA H 553 3.750 3.750 3.802 -0.052 18091 185 1 . 1 1 35 35 LEU C C 553 179.440 179.440 179.143 0.297 18091 186 1 . 1 1 35 35 LEU CA C 553 57.950 57.950 58.110 -0.160 18091 187 1 . 1 1 35 35 LEU CB C 553 40.700 40.700 41.245 -0.545 18091 188 1 . 1 1 35 35 LEU H H 553 8.330 8.330 7.799 0.531 18091 189 1 . 1 1 36 36 GLN N N 554 118.590 118.590 118.082 0.508 18091 190 1 . 1 1 36 36 GLN HA H 554 3.920 3.920 3.945 -0.025 18091 191 1 . 1 1 36 36 GLN C C 554 178.560 178.560 178.763 -0.203 18091 192 1 . 1 1 36 36 GLN CA C 554 58.660 58.660 59.034 -0.374 18091 193 1 . 1 1 36 36 GLN CB C 554 28.060 28.060 28.490 -0.430 18091 194 1 . 1 1 36 36 GLN H H 554 7.800 7.800 7.827 -0.027 18091 195 1 . 1 1 37 37 GLN N N 555 119.520 119.520 118.974 0.546 18091 196 1 . 1 1 37 37 GLN HA H 555 3.930 3.930 4.079 -0.149 18091 197 1 . 1 1 37 37 GLN C C 555 178.400 178.400 178.510 -0.110 18091 198 1 . 1 1 37 37 GLN CA C 555 58.530 58.530 58.610 -0.080 18091 199 1 . 1 1 37 37 GLN CB C 555 28.790 28.790 28.629 0.161 18091 200 1 . 1 1 37 37 GLN H H 555 7.990 7.990 8.030 -0.040 18091 201 1 . 1 1 38 38 ALA N N 556 120.730 120.730 121.150 -0.420 18091 202 1 . 1 1 38 38 ALA HA H 556 4.110 4.110 4.344 -0.234 18091 203 1 . 1 1 38 38 ALA C C 556 178.310 178.310 179.656 -1.346 18091 204 1 . 1 1 38 38 ALA CA C 556 53.500 53.500 54.680 -1.180 18091 205 1 . 1 1 38 38 ALA CB C 556 18.370 18.370 18.340 0.030 18091 206 1 . 1 1 38 38 ALA H H 556 8.310 8.310 8.109 0.201 18091 207 1 . 1 1 39 39 GLN N N 557 115.600 115.600 117.983 -2.383 18091 208 1 . 1 1 39 39 GLN HA H 557 3.960 3.960 4.040 -0.080 18091 209 1 . 1 1 39 39 GLN C C 557 177.260 177.260 178.546 -1.286 18091 210 1 . 1 1 39 39 GLN CA C 557 57.920 57.920 58.273 -0.353 18091 211 1 . 1 1 39 39 GLN CB C 557 28.480 28.480 28.613 -0.133 18091 212 1 . 1 1 39 39 GLN H H 557 7.530 7.530 7.748 -0.218 18091 213 1 . 1 1 40 40 GLN N N 558 115.310 115.310 116.835 -1.525 18091 214 1 . 1 1 40 40 GLN HA H 558 4.180 4.180 4.168 0.012 18091 215 1 . 1 1 40 40 GLN C C 558 176.030 176.030 176.343 -0.313 18091 216 1 . 1 1 40 40 GLN CA C 558 56.550 56.550 57.546 -0.996 18091 217 1 . 1 1 40 40 GLN CB C 558 29.320 29.320 29.865 -0.545 18091 218 1 . 1 1 40 40 GLN H H 558 7.350 7.350 7.622 -0.272 18091 219 1 . 1 1 41 41 ASN N N 559 114.850 114.850 115.298 -0.448 18091 220 1 . 1 1 41 41 ASN HA H 559 4.950 4.950 5.068 -0.118 18091 221 1 . 1 1 41 41 ASN C C 559 172.420 172.420 173.309 -0.889 18091 222 1 . 1 1 41 41 ASN CA C 559 50.430 50.430 51.435 -1.005 18091 223 1 . 1 1 41 41 ASN CB C 559 38.880 38.880 40.986 -2.106 18091 224 1 . 1 1 41 41 ASN H H 559 7.900 7.900 8.014 -0.114 18091 225 1 . 1 1 42 42 PRO HA H 560 4.330 4.330 4.537 -0.207 18091 226 1 . 1 1 42 42 PRO CA C 560 65.000 65.000 64.826 0.174 18091 227 1 . 1 1 42 42 PRO CB C 560 31.680 31.680 32.190 -0.510 18091 228 1 . 1 1 43 43 ALA N N 561 119.920 119.920 120.657 -0.737 18091 229 1 . 1 1 43 43 ALA HA H 561 4.130 4.130 4.206 -0.076 18091 230 1 . 1 1 43 43 ALA C C 561 179.510 179.510 178.928 0.582 18091 231 1 . 1 1 43 43 ALA CA C 561 54.050 54.050 54.257 -0.207 18091 232 1 . 1 1 43 43 ALA CB C 561 18.050 18.050 18.172 -0.122 18091 233 1 . 1 1 43 43 ALA H H 561 7.850 7.850 7.736 0.114 18091 234 1 . 1 1 44 44 ALA N N 562 120.790 120.790 121.419 -0.629 18091 235 1 . 1 1 44 44 ALA HA H 562 4.020 4.020 4.164 -0.144 18091 236 1 . 1 1 44 44 ALA C C 562 179.570 179.570 179.525 0.045 18091 237 1 . 1 1 44 44 ALA CA C 562 54.120 54.120 55.023 -0.903 18091 238 1 . 1 1 44 44 ALA CB C 562 18.200 18.200 18.555 -0.355 18091 239 1 . 1 1 44 44 ALA H H 562 7.980 7.980 7.780 0.200 18091 240 1 . 1 1 45 45 LEU N N 563 116.420 116.420 116.739 -0.319 18091 241 1 . 1 1 45 45 LEU HA H 563 3.980 3.980 4.384 -0.404 18091 242 1 . 1 1 45 45 LEU C C 563 178.220 178.220 178.751 -0.531 18091 243 1 . 1 1 45 45 LEU CA C 563 57.640 57.640 56.946 0.694 18091 244 1 . 1 1 45 45 LEU CB C 563 41.690 41.690 40.733 0.957 18091 245 1 . 1 1 45 45 LEU H H 563 7.510 7.510 7.692 -0.182 18091 246 1 . 1 1 46 46 GLN N N 564 115.510 115.510 120.018 -4.508 18091 247 1 . 1 1 46 46 GLN HA H 564 3.860 3.860 3.950 -0.090 18091 248 1 . 1 1 46 46 GLN C C 564 178.300 178.300 178.268 0.032 18091 249 1 . 1 1 46 46 GLN CA C 564 58.720 58.720 59.368 -0.648 18091 250 1 . 1 1 46 46 GLN CB C 564 28.020 28.020 28.504 -0.484 18091 251 1 . 1 1 46 46 GLN H H 564 7.510 7.510 7.848 -0.338 18091 252 1 . 1 1 47 47 GLU N N 565 117.680 117.680 118.171 -0.491 18091 253 1 . 1 1 47 47 GLU HA H 565 3.900 3.900 3.956 -0.056 18091 254 1 . 1 1 47 47 GLU C C 565 179.070 179.070 179.152 -0.082 18091 255 1 . 1 1 47 47 GLU CA C 565 58.380 58.380 58.950 -0.570 18091 256 1 . 1 1 47 47 GLU CB C 565 28.990 28.990 29.012 -0.023 18091 257 1 . 1 1 47 47 GLU H H 565 7.440 7.440 7.852 -0.412 18091 258 1 . 1 1 48 48 HIS N N 566 118.220 118.220 119.436 -1.216 18091 259 1 . 1 1 48 48 HIS HA H 566 4.380 4.380 4.339 0.041 18091 260 1 . 1 1 48 48 HIS C C 566 177.280 177.280 177.277 0.003 18091 261 1 . 1 1 48 48 HIS CA C 566 58.860 58.860 59.042 -0.182 18091 262 1 . 1 1 48 48 HIS CB C 566 31.440 31.440 29.802 1.638 18091 263 1 . 1 1 48 48 HIS H H 566 7.420 7.420 7.518 -0.098 18091 264 1 . 1 1 49 49 MET N N 567 115.200 115.200 117.905 -2.705 18091 265 1 . 1 1 49 49 MET HA H 567 3.840 3.840 4.311 -0.471 18091 266 1 . 1 1 49 49 MET C C 567 175.260 175.260 177.712 -2.452 18091 267 1 . 1 1 49 49 MET CA C 567 57.840 57.840 58.609 -0.769 18091 268 1 . 1 1 49 49 MET CB C 567 33.080 33.080 32.803 0.277 18091 269 1 . 1 1 49 49 MET H H 567 7.710 7.710 7.908 -0.198 18091 270 1 . 1 1 50 50 LYS N N 568 116.040 116.040 116.386 -0.346 18091 271 1 . 1 1 50 50 LYS HA H 568 3.960 3.960 4.051 -0.091 18091 272 1 . 1 1 50 50 LYS C C 568 176.220 176.220 177.079 -0.859 18091 273 1 . 1 1 50 50 LYS CA C 568 57.390 57.390 57.524 -0.134 18091 274 1 . 1 1 50 50 LYS CB C 568 32.220 32.220 32.413 -0.193 18091 275 1 . 1 1 50 50 LYS H H 568 7.140 7.140 7.561 -0.421 18091 276 1 . 1 1 51 51 ASN N N 569 119.600 119.600 118.679 0.921 18091 277 1 . 1 1 51 51 ASN HA H 569 5.020 5.020 4.790 0.230 18091 278 1 . 1 1 51 51 ASN C C 569 173.920 173.920 175.183 -1.263 18091 279 1 . 1 1 51 51 ASN CA C 569 49.950 49.950 51.854 -1.904 18091 280 1 . 1 1 51 51 ASN CB C 569 39.000 39.000 39.781 -0.781 18091 281 1 . 1 1 51 51 ASN H H 569 7.480 7.480 7.577 -0.097 18091 282 1 . 1 1 52 52 PRO HA H 570 4.260 4.260 4.314 -0.054 18091 283 1 . 1 1 52 52 PRO CA C 570 65.110 65.110 65.797 -0.687 18091 284 1 . 1 1 52 52 PRO CB C 570 32.270 32.270 32.098 0.172 18091 285 1 . 1 1 53 53 GLU N N 571 116.870 116.870 118.887 -2.017 18091 286 1 . 1 1 53 53 GLU HA H 571 4.070 4.070 4.162 -0.092 18091 287 1 . 1 1 53 53 GLU C C 571 178.830 178.830 178.941 -0.111 18091 288 1 . 1 1 53 53 GLU CA C 571 58.880 58.880 59.514 -0.634 18091 289 1 . 1 1 53 53 GLU CB C 571 29.430 29.430 29.496 -0.066 18091 290 1 . 1 1 53 53 GLU H H 571 7.960 7.960 8.541 -0.581 18091 291 1 . 1 1 54 54 VAL N N 572 118.290 118.290 119.316 -1.026 18091 292 1 . 1 1 54 54 VAL HA H 572 3.660 3.660 3.808 -0.148 18091 293 1 . 1 1 54 54 VAL C C 572 177.620 177.620 177.841 -0.221 18091 294 1 . 1 1 54 54 VAL CA C 572 65.100 65.100 65.703 -0.603 18091 295 1 . 1 1 54 54 VAL CB C 572 32.210 32.210 31.514 0.696 18091 296 1 . 1 1 54 54 VAL H H 572 7.330 7.330 7.807 -0.477 18091 297 1 . 1 1 55 55 PHE N N 573 121.090 121.090 122.025 -0.935 18091 298 1 . 1 1 55 55 PHE HA H 573 3.890 3.890 4.100 -0.210 18091 299 1 . 1 1 55 55 PHE C C 573 176.760 176.760 176.999 -0.239 18091 300 1 . 1 1 55 55 PHE CA C 573 62.230 62.230 61.973 0.257 18091 301 1 . 1 1 55 55 PHE CB C 573 38.620 38.620 38.886 -0.266 18091 302 1 . 1 1 55 55 PHE H H 573 8.700 8.700 8.750 -0.050 18091 303 1 . 1 1 56 56 LYS N N 574 116.910 116.910 118.890 -1.980 18091 304 1 . 1 1 56 56 LYS HA H 574 3.790 3.790 3.751 0.039 18091 305 1 . 1 1 56 56 LYS C C 574 178.980 178.980 178.915 0.065 18091 306 1 . 1 1 56 56 LYS CA C 574 59.480 59.480 59.591 -0.111 18091 307 1 . 1 1 56 56 LYS CB C 574 32.200 32.200 32.298 -0.098 18091 308 1 . 1 1 56 56 LYS H H 574 7.800 7.800 7.826 -0.026 18091 309 1 . 1 1 57 57 LYS N N 575 119.120 119.120 119.471 -0.351 18091 310 1 . 1 1 57 57 LYS HA H 575 3.910 3.910 3.997 -0.087 18091 311 1 . 1 1 57 57 LYS C C 575 178.520 178.520 179.089 -0.569 18091 312 1 . 1 1 57 57 LYS CA C 575 59.950 59.950 59.498 0.452 18091 313 1 . 1 1 57 57 LYS CB C 575 33.060 33.060 32.395 0.665 18091 314 1 . 1 1 57 57 LYS H H 575 7.170 7.170 7.277 -0.107 18091 315 1 . 1 1 58 58 ILE N N 576 119.180 119.180 119.220 -0.040 18091 316 1 . 1 1 58 58 ILE HA H 576 3.320 3.320 3.722 -0.402 18091 317 1 . 1 1 58 58 ILE C C 576 177.820 177.820 178.337 -0.517 18091 318 1 . 1 1 58 58 ILE CA C 576 64.530 64.530 64.106 0.424 18091 319 1 . 1 1 58 58 ILE CB C 576 36.250 36.250 36.981 -0.731 18091 320 1 . 1 1 58 58 ILE H H 576 8.300 8.300 8.484 -0.184 18091 321 1 . 1 1 59 59 GLN N N 577 118.000 118.000 118.390 -0.390 18091 322 1 . 1 1 59 59 GLN HA H 577 3.670 3.670 3.796 -0.126 18091 323 1 . 1 1 59 59 GLN C C 577 179.250 179.250 178.458 0.792 18091 324 1 . 1 1 59 59 GLN CA C 577 59.120 59.120 59.253 -0.133 18091 325 1 . 1 1 59 59 GLN CB C 577 27.840 27.840 28.271 -0.430 18091 326 1 . 1 1 59 59 GLN H H 577 8.180 8.180 7.790 0.390 18091 327 1 . 1 1 60 60 THR N N 578 118.670 118.670 117.063 1.607 18091 328 1 . 1 1 60 60 THR HA H 578 3.760 3.760 3.922 -0.162 18091 329 1 . 1 1 60 60 THR C C 578 176.060 176.060 176.485 -0.425 18091 330 1 . 1 1 60 60 THR CA C 578 66.890 66.890 67.071 -0.181 18091 331 1 . 1 1 60 60 THR CB C 578 68.030 68.030 68.447 -0.417 18091 332 1 . 1 1 60 60 THR H H 578 7.780 7.780 7.637 0.143 18091 333 1 . 1 1 61 61 LEU N N 579 120.680 120.680 120.625 0.055 18091 334 1 . 1 1 61 61 LEU HA H 579 3.850 3.850 3.995 -0.145 18091 335 1 . 1 1 61 61 LEU C C 579 179.590 179.590 178.657 0.933 18091 336 1 . 1 1 61 61 LEU CA C 579 57.650 57.650 57.672 -0.022 18091 337 1 . 1 1 61 61 LEU CB C 579 40.980 40.980 41.343 -0.363 18091 338 1 . 1 1 61 61 LEU H H 579 7.620 7.620 7.355 0.265 18091 339 1 . 1 1 62 62 ILE N N 580 122.880 122.880 120.499 2.381 18091 340 1 . 1 1 62 62 ILE HA H 580 4.030 4.030 3.788 0.242 18091 341 1 . 1 1 62 62 ILE C C 580 180.260 180.260 179.065 1.195 18091 342 1 . 1 1 62 62 ILE CA C 580 64.730 64.730 64.985 -0.255 18091 343 1 . 1 1 62 62 ILE CB C 580 38.310 38.310 37.696 0.614 18091 344 1 . 1 1 62 62 ILE H H 580 8.540 8.540 7.548 0.992 18091 345 1 . 1 1 63 63 ALA N N 581 124.510 124.510 122.909 1.601 18091 346 1 . 1 1 63 63 ALA HA H 581 3.970 3.970 4.040 -0.070 18091 347 1 . 1 1 63 63 ALA C C 581 179.000 179.000 178.702 0.298 18091 348 1 . 1 1 63 63 ALA CA C 581 54.840 54.840 54.730 0.110 18091 349 1 . 1 1 63 63 ALA CB C 581 17.500 17.500 18.274 -0.774 18091 350 1 . 1 1 63 63 ALA H H 581 8.120 8.120 8.091 0.029 18091 351 1 . 1 1 64 64 ALA N N 582 116.250 116.250 118.389 -2.139 18091 352 1 . 1 1 64 64 ALA HA H 582 4.140 4.140 4.237 -0.097 18091 353 1 . 1 1 64 64 ALA C C 582 177.040 177.040 177.735 -0.695 18091 354 1 . 1 1 64 64 ALA CA C 582 52.180 52.180 51.891 0.289 18091 355 1 . 1 1 64 64 ALA CB C 582 19.860 19.860 19.026 0.834 18091 356 1 . 1 1 64 64 ALA H H 582 7.470 7.470 7.466 0.004 18091 357 1 . 1 1 65 65 GLY N N 583 104.540 104.540 106.386 -1.846 18091 358 1 . 1 1 65 65 GLY C C 583 174.180 174.180 175.096 -0.916 18091 359 1 . 1 1 65 65 GLY CA C 583 44.790 44.790 45.918 -1.128 18091 360 1 . 1 1 65 65 GLY H H 583 7.600 7.600 7.692 -0.092 18091 361 1 . 1 1 66 66 ILE N N 584 118.630 118.630 117.747 0.883 18091 362 1 . 1 1 66 66 ILE HA H 584 3.760 3.760 3.968 -0.208 18091 363 1 . 1 1 66 66 ILE C C 584 175.660 175.660 175.489 0.171 18091 364 1 . 1 1 66 66 ILE CA C 584 61.550 61.550 62.468 -0.918 18091 365 1 . 1 1 66 66 ILE CB C 584 37.610 37.610 38.650 -1.040 18091 366 1 . 1 1 66 66 ILE H H 584 7.590 7.590 7.759 -0.169 18091 367 1 . 1 1 67 67 ILE N N 585 116.360 116.360 118.844 -2.484 18091 368 1 . 1 1 67 67 ILE HA H 585 4.170 4.170 4.326 -0.156 18091 369 1 . 1 1 67 67 ILE C C 585 174.370 174.370 174.822 -0.452 18091 370 1 . 1 1 67 67 ILE CA C 585 59.480 59.480 60.137 -0.657 18091 371 1 . 1 1 67 67 ILE CB C 585 39.630 39.630 40.657 -1.027 18091 372 1 . 1 1 67 67 ILE H H 585 6.490 6.490 7.311 -0.821 18091 373 1 . 1 1 68 68 ARG N N 586 125.450 125.450 125.210 0.240 18091 374 1 . 1 1 68 68 ARG HA H 586 4.380 4.380 4.521 -0.141 18091 375 1 . 1 1 68 68 ARG C C 586 175.720 175.720 176.024 -0.304 18091 376 1 . 1 1 68 68 ARG CA C 586 54.920 54.920 56.220 -1.300 18091 377 1 . 1 1 68 68 ARG CB C 586 31.320 31.320 30.489 0.831 18091 378 1 . 1 1 68 68 ARG H H 586 8.500 8.500 8.679 -0.179 18091 379 1 . 1 1 69 69 THR N N 587 113.710 113.710 114.396 -0.686 18091 380 1 . 1 1 69 69 THR HA H 587 4.300 4.300 4.485 -0.185 18091 381 1 . 1 1 69 69 THR C C 587 174.760 174.760 174.921 -0.161 18091 382 1 . 1 1 69 69 THR CA C 587 61.300 61.300 61.782 -0.482 18091 383 1 . 1 1 69 69 THR CB C 587 69.720 69.720 69.844 -0.124 18091 384 1 . 1 1 69 69 THR H H 587 8.250 8.250 8.345 -0.095 18091 385 1 . 1 1 70 70 GLY N N 588 110.720 110.720 110.711 0.009 18091 386 1 . 1 1 70 70 GLY C C 588 172.820 172.820 173.619 -0.799 18091 387 1 . 1 1 70 70 GLY CA C 588 45.160 45.160 44.788 0.372 18091 388 1 . 1 1 70 70 GLY H H 588 8.230 8.230 8.435 -0.205 18091 stop_ save_