data_19699 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19699 _Entry.PDB_ID 2MIZ 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 19699 _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 HIS N N 2 122.591 122.591 121.166 1.425 19699 2 1 1 . 1 1 2 2 HIS C C 2 174.514 174.514 174.869 -0.355 19699 3 1 1 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.551 -1.250 19699 4 1 1 . 1 1 2 2 HIS CB C 2 28.454 28.454 28.828 -0.374 19699 5 1 1 . 1 1 2 2 HIS H H 2 8.695 8.695 8.736 -0.041 19699 6 1 1 . 1 1 3 3 SER N N 3 120.223 120.223 117.762 2.461 19699 7 1 1 . 1 1 3 3 SER C C 3 175.623 175.623 175.029 0.594 19699 8 1 1 . 1 1 3 3 SER CA C 3 58.703 58.703 58.805 -0.102 19699 9 1 1 . 1 1 3 3 SER CB C 3 63.275 63.275 64.008 -0.733 19699 10 1 1 . 1 1 3 3 SER H H 3 8.797 8.797 8.421 0.376 19699 11 1 1 . 1 1 4 4 LEU N N 4 126.300 126.300 126.663 -0.363 19699 12 1 1 . 1 1 4 4 LEU C C 4 175.677 175.677 176.049 -0.372 19699 13 1 1 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.631 -0.582 19699 14 1 1 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.797 -0.190 19699 15 1 1 . 1 1 4 4 LEU H H 4 8.332 8.332 8.192 0.140 19699 16 1 1 . 1 1 5 5 GLY N N 5 108.289 108.289 107.439 0.850 19699 17 1 1 . 1 1 5 5 GLY C C 5 171.743 171.743 173.324 -1.581 19699 18 1 1 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.108 -0.459 19699 19 1 1 . 1 1 5 5 GLY H H 5 7.737 7.737 7.643 0.094 19699 20 1 1 . 1 1 6 6 CYS N N 6 112.366 112.366 122.853 -10.487 19699 21 1 1 . 1 1 6 6 CYS C C 6 172.715 172.715 174.489 -1.774 19699 22 1 1 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.327 -2.603 19699 23 1 1 . 1 1 6 6 CYS CB C 6 48.588 48.588 28.740 19.848 19699 24 1 1 . 1 1 6 6 CYS H H 6 7.688 7.688 8.064 -0.376 19699 25 1 1 . 1 1 7 7 TYR N N 7 122.399 122.399 119.852 2.547 19699 26 1 1 . 1 1 7 7 TYR C C 7 174.024 174.024 174.408 -0.384 19699 27 1 1 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.123 0.530 19699 28 1 1 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.531 -2.009 19699 29 1 1 . 1 1 7 7 TYR H H 7 8.733 8.733 8.916 -0.183 19699 30 1 1 . 1 1 8 8 PHE N N 8 123.806 123.806 122.275 1.531 19699 31 1 1 . 1 1 8 8 PHE C C 8 175.708 175.708 175.632 0.076 19699 32 1 1 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.751 -0.043 19699 33 1 1 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.924 -1.349 19699 34 1 1 . 1 1 8 8 PHE H H 8 9.088 9.088 8.958 0.130 19699 35 1 1 . 1 1 9 9 LYS N N 9 121.663 121.663 123.542 -1.879 19699 36 1 1 . 1 1 9 9 LYS C C 9 176.024 176.024 175.475 0.549 19699 37 1 1 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.991 -2.602 19699 38 1 1 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.911 0.650 19699 39 1 1 . 1 1 9 9 LYS H H 9 9.284 9.284 9.169 0.115 19699 40 1 1 . 1 1 10 10 GLY N N 10 109.739 109.739 108.351 1.388 19699 41 1 1 . 1 1 10 10 GLY C C 10 172.722 172.722 173.518 -0.796 19699 42 1 1 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.953 0.249 19699 43 1 1 . 1 1 10 10 GLY H H 10 8.755 8.755 8.680 0.075 19699 44 1 1 . 1 1 11 11 ILE N N 11 122.761 122.761 123.710 -0.949 19699 45 1 1 . 1 1 11 11 ILE C C 11 174.106 174.106 174.951 -0.845 19699 46 1 1 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.132 -0.020 19699 47 1 1 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.820 0.925 19699 48 1 1 . 1 1 11 11 ILE H H 11 8.212 8.212 8.805 -0.593 19699 49 1 1 . 1 1 12 12 ASN N N 12 127.675 127.675 126.639 1.036 19699 50 1 1 . 1 1 12 12 ASN CA C 12 49.739 49.739 51.066 -1.327 19699 51 1 1 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.070 -0.485 19699 52 1 1 . 1 1 12 12 ASN H H 12 9.050 9.050 8.736 0.314 19699 53 1 1 . 1 1 13 13 PRO C C 13 176.450 176.450 176.525 -0.075 19699 54 1 1 . 1 1 14 14 THR N N 14 115.695 115.695 112.970 2.725 19699 55 1 1 . 1 1 14 14 THR C C 14 173.172 173.172 174.074 -0.902 19699 56 1 1 . 1 1 14 14 THR CA C 14 59.908 59.908 60.209 -0.301 19699 57 1 1 . 1 1 14 14 THR CB C 14 70.727 70.727 72.187 -1.460 19699 58 1 1 . 1 1 14 14 THR H H 14 9.320 9.320 8.598 0.722 19699 59 1 1 . 1 1 15 15 LYS N N 15 123.952 123.952 124.181 -0.229 19699 60 1 1 . 1 1 15 15 LYS C C 15 177.147 177.147 176.287 0.860 19699 61 1 1 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.951 -0.265 19699 62 1 1 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.461 -1.496 19699 63 1 1 . 1 1 15 15 LYS H H 15 8.534 8.534 8.453 0.081 19699 64 1 1 . 1 1 16 16 VAL N N 16 129.976 129.976 126.501 3.475 19699 65 1 1 . 1 1 16 16 VAL CA C 16 58.944 58.944 59.316 -0.371 19699 66 1 1 . 1 1 16 16 VAL CB C 16 32.014 32.014 32.117 -0.103 19699 67 1 1 . 1 1 16 16 VAL H H 16 8.836 8.836 8.422 0.414 19699 68 1 1 . 1 1 17 17 PRO C C 17 176.397 176.397 175.584 0.813 19699 69 1 1 . 1 1 18 18 SER N N 18 117.885 117.885 117.420 0.465 19699 70 1 1 . 1 1 18 18 SER C C 18 174.516 174.516 174.304 0.212 19699 71 1 1 . 1 1 18 18 SER CA C 18 56.695 56.695 57.420 -0.725 19699 72 1 1 . 1 1 18 18 SER CB C 18 64.232 64.232 64.832 -0.600 19699 73 1 1 . 1 1 18 18 SER H H 18 8.303 8.303 7.806 0.497 19699 74 1 1 . 1 1 19 19 SER N N 19 120.346 120.346 117.776 2.570 19699 75 1 1 . 1 1 19 19 SER C C 19 173.829 173.829 174.708 -0.879 19699 76 1 1 . 1 1 19 19 SER CA C 19 58.080 58.080 59.019 -0.939 19699 77 1 1 . 1 1 19 19 SER CB C 19 62.659 62.659 63.456 -0.797 19699 78 1 1 . 1 1 19 19 SER H H 19 8.679 8.679 8.363 0.316 19699 79 1 1 . 1 1 20 20 ASP N N 20 126.377 126.377 124.900 1.477 19699 80 1 1 . 1 1 20 20 ASP CA C 20 52.384 52.384 53.016 -0.632 19699 81 1 1 . 1 1 20 20 ASP CB C 20 41.535 41.535 42.151 -0.616 19699 82 1 1 . 1 1 20 20 ASP H H 20 8.247 8.247 7.559 0.688 19699 83 1 1 . 1 1 21 21 PRO C C 21 177.616 177.616 176.883 0.733 19699 84 1 1 . 1 1 22 22 ARG N N 22 119.127 119.127 117.302 1.825 19699 85 1 1 . 1 1 22 22 ARG C C 22 175.307 175.307 176.269 -0.962 19699 86 1 1 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.827 -0.413 19699 87 1 1 . 1 1 22 22 ARG CB C 22 28.805 28.805 30.892 -2.087 19699 88 1 1 . 1 1 22 22 ARG H H 22 8.692 8.692 8.294 0.398 19699 89 1 1 . 1 1 23 23 THR N N 23 120.270 120.270 118.813 1.457 19699 90 1 1 . 1 1 23 23 THR C C 23 172.509 172.509 173.989 -1.480 19699 91 1 1 . 1 1 23 23 THR CA C 23 63.089 63.089 63.531 -0.442 19699 92 1 1 . 1 1 23 23 THR CB C 23 69.254 69.254 69.543 -0.289 19699 93 1 1 . 1 1 23 23 THR H H 23 8.265 8.265 8.399 -0.134 19699 94 1 1 . 1 1 24 24 VAL N N 24 129.461 129.461 128.514 0.947 19699 95 1 1 . 1 1 24 24 VAL C C 24 174.663 174.663 174.551 0.112 19699 96 1 1 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.750 -0.766 19699 97 1 1 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.001 -0.397 19699 98 1 1 . 1 1 24 24 VAL H H 24 8.992 8.992 8.894 0.098 19699 99 1 1 . 1 1 25 25 LEU N N 25 126.449 126.449 129.468 -3.019 19699 100 1 1 . 1 1 25 25 LEU C C 25 174.669 174.669 175.578 -0.909 19699 101 1 1 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.344 -1.097 19699 102 1 1 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.532 1.629 19699 103 1 1 . 1 1 25 25 LEU H H 25 9.281 9.281 8.694 0.587 19699 104 1 1 . 1 1 26 26 LYS N N 26 120.574 120.574 125.044 -4.470 19699 105 1 1 . 1 1 26 26 LYS C C 26 175.637 175.637 174.900 0.737 19699 106 1 1 . 1 1 26 26 LYS CA C 26 53.665 53.665 54.794 -1.129 19699 107 1 1 . 1 1 26 26 LYS CB C 26 36.820 36.820 35.594 1.226 19699 108 1 1 . 1 1 26 26 LYS H H 26 8.832 8.832 8.890 -0.058 19699 109 1 1 . 1 1 27 27 CYS N N 27 126.079 126.079 126.624 -0.545 19699 110 1 1 . 1 1 27 27 CYS C C 27 172.527 172.527 174.432 -1.905 19699 111 1 1 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.143 -5.715 19699 112 1 1 . 1 1 27 27 CYS CB C 27 44.628 44.628 26.661 17.967 19699 113 1 1 . 1 1 27 27 CYS H H 27 8.709 8.709 8.915 -0.206 19699 114 1 1 . 1 1 28 28 THR N N 28 122.887 122.887 121.756 1.131 19699 115 1 1 . 1 1 28 28 THR C C 28 172.844 172.844 173.971 -1.127 19699 116 1 1 . 1 1 28 28 THR CA C 28 64.228 64.228 63.394 0.834 19699 117 1 1 . 1 1 28 28 THR CB C 28 68.222 68.222 69.147 -0.925 19699 118 1 1 . 1 1 28 28 THR H H 28 8.086 8.086 8.397 -0.311 19699 119 1 1 . 1 1 29 29 LEU N N 29 127.761 127.761 129.224 -1.463 19699 120 1 1 . 1 1 29 29 LEU CA C 29 50.361 50.361 50.941 -0.580 19699 121 1 1 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.299 -3.508 19699 122 1 1 . 1 1 29 29 LEU H H 29 8.452 8.452 8.050 0.402 19699 123 1 1 . 1 1 30 30 PRO C C 30 174.451 174.451 175.826 -1.375 19699 124 1 1 . 1 1 31 31 ASP N N 31 120.693 120.693 122.568 -1.875 19699 125 1 1 . 1 1 31 31 ASP C C 31 175.442 175.442 175.204 0.238 19699 126 1 1 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.902 -0.980 19699 127 1 1 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.760 -1.515 19699 128 1 1 . 1 1 31 31 ASP H H 31 8.380 8.380 8.495 -0.115 19699 129 1 1 . 1 1 32 32 VAL N N 32 127.962 127.962 123.843 4.119 19699 130 1 1 . 1 1 32 32 VAL C C 32 173.841 173.841 175.378 -1.537 19699 131 1 1 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.580 -0.612 19699 132 1 1 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.505 -0.103 19699 133 1 1 . 1 1 32 32 VAL H H 32 7.195 7.195 7.727 -0.532 19699 134 1 1 . 1 1 33 33 LYS N N 33 127.967 127.967 129.750 -1.783 19699 135 1 1 . 1 1 33 33 LYS C C 33 176.805 176.805 175.788 1.017 19699 136 1 1 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.440 -0.682 19699 137 1 1 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.438 -1.365 19699 138 1 1 . 1 1 33 33 LYS H H 33 8.375 8.375 8.863 -0.488 19699 139 1 1 . 1 1 34 34 VAL N N 34 110.772 110.772 115.202 -4.430 19699 140 1 1 . 1 1 34 34 VAL C C 34 174.766 174.766 174.177 0.589 19699 141 1 1 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.830 -1.891 19699 142 1 1 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.360 -0.686 19699 143 1 1 . 1 1 34 34 VAL H H 34 6.445 6.445 7.505 -1.060 19699 144 1 1 . 1 1 35 35 ASN N N 35 123.757 123.757 121.297 2.460 19699 145 1 1 . 1 1 35 35 ASN C C 35 173.218 173.218 174.237 -1.019 19699 146 1 1 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.470 0.166 19699 147 1 1 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.868 -0.740 19699 148 1 1 . 1 1 35 35 ASN H H 35 8.723 8.723 8.756 -0.033 19699 149 1 1 . 1 1 36 36 ALA N N 36 124.355 124.355 126.775 -2.420 19699 150 1 1 . 1 1 36 36 ALA C C 36 175.731 175.731 174.995 0.736 19699 151 1 1 . 1 1 36 36 ALA H H 36 7.176 7.176 8.184 -1.008 19699 152 1 1 . 1 1 37 37 SER N N 37 116.842 116.842 113.764 3.078 19699 153 1 1 . 1 1 37 37 SER C C 37 173.137 173.137 172.755 0.382 19699 154 1 1 . 1 1 37 37 SER CA C 37 56.592 56.592 57.193 -0.601 19699 155 1 1 . 1 1 37 37 SER CB C 37 65.760 65.760 66.825 -1.065 19699 156 1 1 . 1 1 37 37 SER H H 37 8.185 8.185 7.793 0.392 19699 157 1 1 . 1 1 38 38 TRP N N 38 123.519 123.519 121.363 2.156 19699 158 1 1 . 1 1 38 38 TRP C C 38 174.100 174.100 176.179 -2.079 19699 159 1 1 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.753 -0.919 19699 160 1 1 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.928 -5.334 19699 161 1 1 . 1 1 38 38 TRP H H 38 8.895 8.895 9.129 -0.234 19699 162 1 1 . 1 1 39 39 THR N N 39 120.476 120.476 119.653 0.823 19699 163 1 1 . 1 1 39 39 THR C C 39 174.400 174.400 173.825 0.575 19699 164 1 1 . 1 1 39 39 THR CA C 39 61.580 61.580 61.635 -0.055 19699 165 1 1 . 1 1 39 39 THR CB C 39 70.182 70.182 70.427 -0.244 19699 166 1 1 . 1 1 39 39 THR H H 39 9.073 9.073 9.083 -0.010 19699 167 1 1 . 1 1 40 40 LEU N N 40 129.561 129.561 127.805 1.756 19699 168 1 1 . 1 1 40 40 LEU C C 40 173.008 173.008 175.672 -2.664 19699 169 1 1 . 1 1 40 40 LEU H H 40 10.036 10.036 9.079 0.957 19699 170 1 1 . 1 1 41 41 GLU N N 41 126.217 126.217 123.108 3.109 19699 171 1 1 . 1 1 41 41 GLU C C 41 174.208 174.208 175.069 -0.861 19699 172 1 1 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.340 -1.189 19699 173 1 1 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.782 -2.690 19699 174 1 1 . 1 1 41 41 GLU H H 41 8.504 8.504 8.641 -0.137 19699 175 1 1 . 1 1 42 42 TRP N N 42 131.942 131.942 127.632 4.310 19699 176 1 1 . 1 1 42 42 TRP C C 42 174.332 174.332 175.925 -1.593 19699 177 1 1 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.941 -1.857 19699 178 1 1 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.387 -2.474 19699 179 1 1 . 1 1 42 42 TRP H H 42 9.446 9.446 9.055 0.391 19699 180 1 1 . 1 1 43 43 VAL N N 43 127.871 127.871 123.637 4.234 19699 181 1 1 . 1 1 43 43 VAL C C 43 175.693 175.693 174.953 0.740 19699 182 1 1 . 1 1 43 43 VAL CA C 43 62.219 62.219 60.995 1.224 19699 183 1 1 . 1 1 43 43 VAL CB C 43 31.454 31.454 35.033 -3.579 19699 184 1 1 . 1 1 43 43 VAL H H 43 9.065 9.065 9.366 -0.301 19699 185 1 1 . 1 1 44 44 VAL N N 44 129.882 129.882 126.621 3.261 19699 186 1 1 . 1 1 44 44 VAL C C 44 176.740 176.740 176.304 0.436 19699 187 1 1 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.160 0.015 19699 188 1 1 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.094 -3.609 19699 189 1 1 . 1 1 44 44 VAL H H 44 8.895 8.895 8.957 -0.062 19699 190 1 1 . 1 1 45 45 VAL N N 45 125.719 125.719 129.566 -3.847 19699 191 1 1 . 1 1 45 45 VAL C C 45 179.320 179.320 176.470 2.850 19699 192 1 1 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.883 0.979 19699 193 1 1 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.050 -0.845 19699 194 1 1 . 1 1 45 45 VAL H H 45 7.462 7.462 8.245 -0.783 19699 195 1 1 . 1 1 46 46 ASN N N 46 114.964 114.964 116.076 -1.112 19699 196 1 1 . 1 1 46 46 ASN C C 46 175.545 175.545 176.005 -0.460 19699 197 1 1 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.211 -0.401 19699 198 1 1 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.537 -2.460 19699 199 1 1 . 1 1 46 46 ASN H H 46 8.550 8.550 7.651 0.899 19699 200 1 1 . 1 1 47 47 LEU N N 47 117.360 117.360 116.690 0.670 19699 201 1 1 . 1 1 47 47 LEU C C 47 175.920 175.920 176.671 -0.751 19699 202 1 1 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.754 -1.488 19699 203 1 1 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.529 -0.884 19699 204 1 1 . 1 1 47 47 LEU H H 47 7.023 7.023 7.638 -0.615 19699 205 1 1 . 1 1 48 48 HIS N N 48 116.042 116.042 115.860 0.182 19699 206 1 1 . 1 1 48 48 HIS C C 48 172.021 172.021 174.161 -2.140 19699 207 1 1 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.134 -1.540 19699 208 1 1 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.785 -0.555 19699 209 1 1 . 1 1 48 48 HIS H H 48 7.581 7.581 7.819 -0.238 19699 210 1 1 . 1 1 49 49 THR N N 49 107.923 107.923 111.567 -3.644 19699 211 1 1 . 1 1 49 49 THR C C 49 171.828 171.828 172.344 -0.516 19699 212 1 1 . 1 1 49 49 THR CA C 49 58.493 58.493 60.680 -2.187 19699 213 1 1 . 1 1 49 49 THR CB C 49 68.152 68.152 71.374 -3.222 19699 214 1 1 . 1 1 49 49 THR H H 49 7.011 7.011 7.859 -0.848 19699 215 1 1 . 1 1 50 50 SER N N 50 114.393 114.393 115.257 -0.864 19699 216 1 1 . 1 1 50 50 SER C C 50 172.904 172.904 173.142 -0.238 19699 217 1 1 . 1 1 50 50 SER CA C 50 55.318 55.318 56.855 -1.537 19699 218 1 1 . 1 1 50 50 SER CB C 50 66.748 66.748 66.462 0.286 19699 219 1 1 . 1 1 50 50 SER H H 50 8.066 8.066 8.292 -0.226 19699 220 1 1 . 1 1 51 51 VAL N N 51 123.100 123.100 120.272 2.828 19699 221 1 1 . 1 1 51 51 VAL C C 51 176.585 176.585 175.530 1.055 19699 222 1 1 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.488 0.726 19699 223 1 1 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.757 -1.406 19699 224 1 1 . 1 1 51 51 VAL H H 51 8.667 8.667 8.638 0.029 19699 225 1 1 . 1 1 52 52 ASP N N 52 129.313 129.313 128.375 0.938 19699 226 1 1 . 1 1 52 52 ASP C C 52 173.916 173.916 174.742 -0.826 19699 227 1 1 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.526 2.216 19699 228 1 1 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.102 0.827 19699 229 1 1 . 1 1 52 52 ASP H H 52 9.402 9.402 8.483 0.919 19699 230 1 1 . 1 1 53 53 VAL N N 53 118.437 118.437 122.816 -4.379 19699 231 1 1 . 1 1 53 53 VAL C C 53 175.402 175.402 173.409 1.993 19699 232 1 1 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.627 -1.859 19699 233 1 1 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.863 -0.017 19699 234 1 1 . 1 1 53 53 VAL H H 53 7.080 7.080 8.449 -1.369 19699 235 1 1 . 1 1 54 54 THR N N 54 115.972 115.972 118.604 -2.632 19699 236 1 1 . 1 1 54 54 THR C C 54 174.081 174.081 173.436 0.645 19699 237 1 1 . 1 1 54 54 THR CA C 54 58.682 58.682 59.775 -1.093 19699 238 1 1 . 1 1 54 54 THR CB C 54 70.590 70.590 71.594 -1.004 19699 239 1 1 . 1 1 54 54 THR H H 54 9.682 9.682 9.026 0.656 19699 240 1 1 . 1 1 55 55 SER N N 55 117.493 117.493 118.792 -1.299 19699 241 1 1 . 1 1 55 55 SER C C 55 172.532 172.532 172.865 -0.333 19699 242 1 1 . 1 1 55 55 SER CA C 55 58.440 58.440 56.943 1.497 19699 243 1 1 . 1 1 55 55 SER CB C 55 64.406 64.406 65.016 -0.610 19699 244 1 1 . 1 1 55 55 SER H H 55 9.115 9.115 8.329 0.786 19699 245 1 1 . 1 1 56 56 TYR N N 56 127.570 127.570 126.495 1.075 19699 246 1 1 . 1 1 56 56 TYR C C 56 173.235 173.235 175.459 -2.224 19699 247 1 1 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.145 2.146 19699 248 1 1 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.904 -0.270 19699 249 1 1 . 1 1 56 56 TYR H H 56 8.706 8.706 9.378 -0.672 19699 250 1 1 . 1 1 57 57 TYR N N 57 126.921 126.921 120.821 6.100 19699 251 1 1 . 1 1 57 57 TYR C C 57 175.189 175.189 175.199 -0.010 19699 252 1 1 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.244 -1.834 19699 253 1 1 . 1 1 57 57 TYR CB C 57 40.543 40.543 43.027 -2.484 19699 254 1 1 . 1 1 57 57 TYR H H 57 9.160 9.160 9.711 -0.551 19699 255 1 1 . 1 1 58 58 GLU N N 58 114.689 114.689 121.209 -6.520 19699 256 1 1 . 1 1 58 58 GLU C C 58 176.098 176.098 174.817 1.281 19699 257 1 1 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.450 -0.129 19699 258 1 1 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.125 -0.128 19699 259 1 1 . 1 1 58 58 GLU H H 58 7.814 7.814 8.982 -1.168 19699 260 1 1 . 1 1 59 59 SER N N 59 118.144 118.144 120.901 -2.757 19699 261 1 1 . 1 1 59 59 SER C C 59 172.474 172.474 173.169 -0.695 19699 262 1 1 . 1 1 59 59 SER CA C 59 56.261 56.261 56.402 -0.141 19699 263 1 1 . 1 1 59 59 SER CB C 59 67.299 67.299 65.226 2.073 19699 264 1 1 . 1 1 59 59 SER H H 59 9.059 9.059 8.891 0.168 19699 265 1 1 . 1 1 60 60 SER N N 60 120.314 120.314 113.836 6.478 19699 266 1 1 . 1 1 60 60 SER CA C 60 56.956 56.956 56.408 0.548 19699 267 1 1 . 1 1 60 60 SER CB C 60 65.027 65.027 64.230 0.797 19699 268 1 1 . 1 1 60 60 SER H H 60 9.489 9.489 8.668 0.821 19699 269 1 1 . 1 1 61 61 PRO C C 61 175.753 175.753 176.978 -1.225 19699 270 1 1 . 1 1 62 62 ASN N N 62 110.807 110.807 112.101 -1.294 19699 271 1 1 . 1 1 62 62 ASN C C 62 174.630 174.630 175.056 -0.426 19699 272 1 1 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.495 -2.085 19699 273 1 1 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.624 -0.668 19699 274 1 1 . 1 1 62 62 ASN H H 62 7.693 7.693 7.986 -0.293 19699 275 1 1 . 1 1 63 63 SER N N 63 115.903 115.903 116.780 -0.877 19699 276 1 1 . 1 1 63 63 SER C C 63 171.926 171.926 173.611 -1.685 19699 277 1 1 . 1 1 63 63 SER CA C 63 57.927 57.927 57.302 0.625 19699 278 1 1 . 1 1 63 63 SER CB C 63 64.472 64.472 64.787 -0.315 19699 279 1 1 . 1 1 63 63 SER H H 63 7.636 7.636 8.289 -0.653 19699 280 1 1 . 1 1 64 64 GLU N N 64 128.229 128.229 125.654 2.575 19699 281 1 1 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.314 1.013 19699 282 1 1 . 1 1 64 64 GLU CB C 64 25.436 25.436 30.048 -4.612 19699 283 1 1 . 1 1 64 64 GLU H H 64 9.432 9.432 8.695 0.737 19699 284 1 1 . 1 1 65 65 PRO C C 65 175.912 175.912 176.373 -0.461 19699 285 1 1 . 1 1 66 66 ARG N N 66 125.093 125.093 123.195 1.898 19699 286 1 1 . 1 1 66 66 ARG C C 66 175.221 175.221 175.196 0.025 19699 287 1 1 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.180 0.573 19699 288 1 1 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.301 -2.129 19699 289 1 1 . 1 1 66 66 ARG H H 66 8.054 8.054 8.747 -0.693 19699 290 1 1 . 1 1 67 67 PHE N N 67 126.028 126.028 122.497 3.531 19699 291 1 1 . 1 1 67 67 PHE C C 67 174.478 174.478 174.898 -0.420 19699 292 1 1 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.200 -0.304 19699 293 1 1 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.471 -0.417 19699 294 1 1 . 1 1 67 67 PHE H H 67 9.078 9.078 8.923 0.155 19699 295 1 1 . 1 1 68 68 LEU N N 68 127.080 127.080 128.833 -1.753 19699 296 1 1 . 1 1 68 68 LEU C C 68 175.994 175.994 175.646 0.348 19699 297 1 1 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.867 -0.995 19699 298 1 1 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.398 1.377 19699 299 1 1 . 1 1 68 68 LEU H H 68 8.477 8.477 8.528 -0.051 19699 300 1 1 . 1 1 69 69 ARG N N 69 111.037 111.037 111.660 -0.623 19699 301 1 1 . 1 1 69 69 ARG C C 69 172.738 172.738 173.363 -0.625 19699 302 1 1 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.615 0.311 19699 303 1 1 . 1 1 69 69 ARG CB C 69 29.729 29.729 31.965 -2.236 19699 304 1 1 . 1 1 69 69 ARG H H 69 6.560 6.560 7.088 -0.528 19699 305 1 1 . 1 1 70 70 ALA N N 70 124.959 124.959 122.990 1.969 19699 306 1 1 . 1 1 70 70 ALA C C 70 177.538 177.538 175.956 1.582 19699 307 1 1 . 1 1 70 70 ALA CA C 70 50.155 50.155 51.236 -1.081 19699 308 1 1 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.154 -3.554 19699 309 1 1 . 1 1 70 70 ALA H H 70 8.749 8.749 8.406 0.343 19699 310 1 1 . 1 1 71 71 ILE N N 71 120.318 120.318 123.212 -2.894 19699 311 1 1 . 1 1 71 71 ILE C C 71 174.971 174.971 175.343 -0.372 19699 312 1 1 . 1 1 71 71 ILE CA C 71 59.181 59.181 60.054 -0.873 19699 313 1 1 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.170 -1.670 19699 314 1 1 . 1 1 71 71 ILE H H 71 8.532 8.532 9.224 -0.692 19699 315 1 1 . 1 1 72 72 LEU N N 72 124.858 124.858 126.490 -1.632 19699 316 1 1 . 1 1 72 72 LEU C C 72 176.383 176.383 177.447 -1.064 19699 317 1 1 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.532 0.614 19699 318 1 1 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.452 -1.917 19699 319 1 1 . 1 1 72 72 LEU H H 72 8.370 8.370 8.765 -0.395 19699 320 1 1 . 1 1 73 73 ASN N N 73 118.206 118.206 120.605 -2.399 19699 321 1 1 . 1 1 73 73 ASN C C 73 174.181 174.181 175.032 -0.851 19699 322 1 1 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.340 -1.651 19699 323 1 1 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.174 -1.064 19699 324 1 1 . 1 1 73 73 ASN H H 73 8.220 8.220 8.697 -0.477 19699 325 1 1 . 1 1 74 74 PHE N N 74 123.331 123.331 124.189 -0.858 19699 326 1 1 . 1 1 74 74 PHE C C 74 176.458 176.458 175.375 1.083 19699 327 1 1 . 1 1 74 74 PHE CA C 74 59.394 59.394 60.261 -0.867 19699 328 1 1 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.592 -0.044 19699 329 1 1 . 1 1 74 74 PHE H H 74 7.606 7.606 8.333 -0.727 19699 330 1 1 . 1 1 75 75 THR N N 75 109.350 109.350 111.590 -2.240 19699 331 1 1 . 1 1 75 75 THR H H 75 7.826 7.826 7.914 -0.088 19699 332 1 1 . 1 1 76 76 PRO C C 76 176.832 176.832 176.193 0.639 19699 333 1 1 . 1 1 77 77 MET N N 77 122.265 122.265 117.614 4.651 19699 334 1 1 . 1 1 77 77 MET C C 77 176.515 176.515 175.645 0.870 19699 335 1 1 . 1 1 77 77 MET CA C 77 55.525 55.525 54.775 0.750 19699 336 1 1 . 1 1 77 77 MET CB C 77 30.039 30.039 32.563 -2.524 19699 337 1 1 . 1 1 77 77 MET H H 77 8.404 8.404 8.333 0.071 19699 338 1 1 . 1 1 78 78 HIS N N 78 123.575 123.575 119.639 3.936 19699 339 1 1 . 1 1 78 78 HIS C C 78 175.951 175.951 175.582 0.369 19699 340 1 1 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.647 -0.073 19699 341 1 1 . 1 1 78 78 HIS CB C 78 29.895 29.895 29.262 0.633 19699 342 1 1 . 1 1 78 78 HIS H H 78 8.469 8.469 7.833 0.636 19699 343 1 1 . 1 1 80 80 LEU C C 80 177.711 177.711 176.411 1.300 19699 344 1 1 . 1 1 81 81 ARG N N 81 119.707 119.707 120.962 -1.255 19699 345 1 1 . 1 1 81 81 ARG C C 81 177.060 177.060 174.873 2.187 19699 346 1 1 . 1 1 81 81 ARG H H 81 8.368 8.368 8.303 0.065 19699 347 1 1 . 1 1 82 82 THR N N 82 114.163 114.163 111.577 2.586 19699 348 1 1 . 1 1 82 82 THR C C 82 174.712 174.712 174.097 0.615 19699 349 1 1 . 1 1 82 82 THR CA C 82 62.533 62.533 63.217 -0.684 19699 350 1 1 . 1 1 82 82 THR H H 82 7.936 7.936 8.201 -0.265 19699 351 1 1 . 1 1 83 83 LYS N N 83 121.875 121.875 119.550 2.325 19699 352 1 1 . 1 1 83 83 LYS C C 83 175.855 175.855 176.294 -0.439 19699 353 1 1 . 1 1 83 83 LYS CA C 83 55.700 55.700 54.855 0.845 19699 354 1 1 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.309 -0.987 19699 355 1 1 . 1 1 83 83 LYS H H 83 8.092 8.092 7.726 0.366 19699 356 1 1 . 1 1 84 84 ASN N N 84 118.272 118.272 120.964 -2.692 19699 357 1 1 . 1 1 84 84 ASN C C 84 176.216 176.216 175.245 0.971 19699 358 1 1 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.790 -0.188 19699 359 1 1 . 1 1 84 84 ASN CB C 84 38.706 38.706 37.718 0.988 19699 360 1 1 . 1 1 84 84 ASN H H 84 8.163 8.163 8.661 -0.498 19699 361 1 1 . 1 1 85 85 LEU N N 85 123.394 123.394 124.219 -0.825 19699 362 1 1 . 1 1 85 85 LEU C C 85 176.987 176.987 177.022 -0.035 19699 363 1 1 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.825 -0.559 19699 364 1 1 . 1 1 85 85 LEU CB C 85 40.497 40.497 42.756 -2.259 19699 365 1 1 . 1 1 85 85 LEU H H 85 8.382 8.382 7.900 0.482 19699 366 1 1 . 1 1 86 86 LEU N N 86 122.330 122.330 122.616 -0.286 19699 367 1 1 . 1 1 86 86 LEU C C 86 175.867 175.867 176.743 -0.876 19699 368 1 1 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.916 -0.301 19699 369 1 1 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.173 0.314 19699 370 1 1 . 1 1 86 86 LEU H H 86 8.350 8.350 8.578 -0.228 19699 371 1 1 . 1 1 87 87 LYS N N 87 121.964 121.964 122.246 -0.282 19699 372 1 1 . 1 1 87 87 LYS C C 87 179.215 179.215 178.273 0.942 19699 373 1 1 . 1 1 87 87 LYS CA C 87 54.413 54.413 53.966 0.447 19699 374 1 1 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.175 1.744 19699 375 1 1 . 1 1 87 87 LYS H H 87 9.560 9.560 8.824 0.736 19699 376 1 1 . 1 1 88 88 VAL N N 88 124.714 124.714 121.592 3.122 19699 377 1 1 . 1 1 88 88 VAL C C 88 181.289 181.289 177.988 3.301 19699 378 1 1 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.347 0.384 19699 379 1 1 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.799 -1.703 19699 380 1 1 . 1 1 88 88 VAL H H 88 8.331 8.331 8.835 -0.503 19699 381 1 1 . 1 1 89 89 LYS N N 89 119.721 119.721 116.831 2.890 19699 382 1 1 . 1 1 89 89 LYS C C 89 176.988 176.988 176.291 0.697 19699 383 1 1 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.629 -3.896 19699 384 1 1 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.155 -0.718 19699 385 1 1 . 1 1 89 89 LYS H H 89 8.356 8.356 8.201 0.155 19699 386 1 1 . 1 1 90 90 ASP N N 90 117.057 117.057 118.099 -1.042 19699 387 1 1 . 1 1 90 90 ASP C C 90 174.938 174.938 175.982 -1.044 19699 388 1 1 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.389 0.333 19699 389 1 1 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.031 1.554 19699 390 1 1 . 1 1 90 90 ASP H H 90 7.613 7.613 7.695 -0.082 19699 391 1 1 . 1 1 91 91 GLY N N 91 104.457 104.457 105.795 -1.338 19699 392 1 1 . 1 1 91 91 GLY C C 91 172.136 172.136 173.198 -1.062 19699 393 1 1 . 1 1 91 91 GLY CA C 91 44.478 44.478 44.676 -0.198 19699 394 1 1 . 1 1 91 91 GLY H H 91 8.078 8.078 8.004 0.074 19699 395 1 1 . 1 1 92 92 PHE N N 92 117.903 117.903 118.766 -0.863 19699 396 1 1 . 1 1 92 92 PHE C C 92 173.925 173.925 174.233 -0.308 19699 397 1 1 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.774 -0.001 19699 398 1 1 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.862 1.721 19699 399 1 1 . 1 1 92 92 PHE H H 92 7.038 7.038 7.644 -0.606 19699 400 1 1 . 1 1 93 93 GLN N N 93 123.497 123.497 124.554 -1.057 19699 401 1 1 . 1 1 93 93 GLN C C 93 173.550 173.550 174.451 -0.901 19699 402 1 1 . 1 1 93 93 GLN CA C 93 53.751 53.751 53.914 -0.163 19699 403 1 1 . 1 1 93 93 GLN CB C 93 33.893 33.893 30.505 3.388 19699 404 1 1 . 1 1 93 93 GLN H H 93 8.716 8.716 8.878 -0.162 19699 405 1 1 . 1 1 94 94 VAL N N 94 130.740 130.740 129.504 1.236 19699 406 1 1 . 1 1 94 94 VAL C C 94 176.502 176.502 175.488 1.014 19699 407 1 1 . 1 1 94 94 VAL CA C 94 61.531 61.531 62.190 -0.659 19699 408 1 1 . 1 1 94 94 VAL CB C 94 32.147 32.147 32.742 -0.595 19699 409 1 1 . 1 1 94 94 VAL H H 94 9.180 9.180 8.737 0.443 19699 410 1 1 . 1 1 95 95 ASP N N 95 128.925 128.925 128.050 0.875 19699 411 1 1 . 1 1 95 95 ASP C C 95 175.655 175.655 175.955 -0.300 19699 412 1 1 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.831 -0.529 19699 413 1 1 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.632 -1.531 19699 414 1 1 . 1 1 95 95 ASP H H 95 8.397 8.397 8.774 -0.377 19699 415 1 1 . 1 1 96 96 ASN N N 96 126.934 126.934 124.027 2.907 19699 416 1 1 . 1 1 96 96 ASN C C 96 176.193 176.193 174.742 1.451 19699 417 1 1 . 1 1 96 96 ASN CA C 96 51.702 51.702 51.903 -0.201 19699 418 1 1 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.424 0.360 19699 419 1 1 . 1 1 96 96 ASN H H 96 8.367 8.367 8.617 -0.250 19699 420 1 1 . 1 1 97 97 SER N N 97 117.606 117.606 116.091 1.515 19699 421 1 1 . 1 1 97 97 SER C C 97 176.522 176.522 174.869 1.653 19699 422 1 1 . 1 1 97 97 SER CA C 97 58.237 58.237 57.212 1.025 19699 423 1 1 . 1 1 97 97 SER CB C 97 63.473 63.473 64.630 -1.157 19699 424 1 1 . 1 1 97 97 SER H H 97 8.645 8.645 8.681 -0.036 19699 425 1 1 . 1 1 98 98 THR N N 98 115.391 115.391 118.625 -3.234 19699 426 1 1 . 1 1 98 98 THR C C 98 175.591 175.591 175.507 0.084 19699 427 1 1 . 1 1 98 98 THR CA C 98 61.477 61.477 62.677 -1.200 19699 428 1 1 . 1 1 98 98 THR CB C 98 68.670 68.670 68.901 -0.231 19699 429 1 1 . 1 1 98 98 THR H H 98 8.722 8.722 8.971 -0.249 19699 430 1 1 . 1 1 99 99 ASP N N 99 120.196 120.196 121.254 -1.058 19699 431 1 1 . 1 1 99 99 ASP C C 99 176.485 176.485 177.365 -0.880 19699 432 1 1 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.647 -1.470 19699 433 1 1 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.224 1.032 19699 434 1 1 . 1 1 99 99 ASP H H 99 8.326 8.326 8.075 0.251 19699 435 1 1 . 1 1 100 100 ASN N N 100 118.377 118.377 117.939 0.438 19699 436 1 1 . 1 1 100 100 ASN C C 100 176.916 176.916 176.711 0.205 19699 437 1 1 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.404 -1.636 19699 438 1 1 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.095 -1.147 19699 439 1 1 . 1 1 100 100 ASN H H 100 7.905 7.905 8.097 -0.192 19699 440 1 1 . 1 1 101 101 GLY N N 101 110.470 110.470 106.019 4.451 19699 441 1 1 . 1 1 101 101 GLY C C 101 173.824 173.824 174.525 -0.701 19699 442 1 1 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.620 -0.162 19699 443 1 1 . 1 1 101 101 GLY H H 101 8.450 8.450 8.569 -0.119 19699 444 1 1 . 1 1 102 102 ASN N N 102 121.816 121.816 118.818 2.998 19699 445 1 1 . 1 1 102 102 ASN C C 102 174.402 174.402 175.126 -0.724 19699 446 1 1 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.575 -1.129 19699 447 1 1 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.826 1.668 19699 448 1 1 . 1 1 102 102 ASN H H 102 8.707 8.707 8.245 0.462 19699 449 1 1 . 1 1 103 103 GLY N N 103 108.784 108.784 106.911 1.873 19699 450 1 1 . 1 1 103 103 GLY C C 103 174.814 174.814 174.025 0.789 19699 451 1 1 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.410 1.796 19699 452 1 1 . 1 1 103 103 GLY H H 103 7.977 7.977 7.799 0.178 19699 453 1 1 . 1 1 104 104 GLY N N 104 114.736 114.736 112.933 1.803 19699 454 1 1 . 1 1 104 104 GLY C C 104 174.470 174.470 174.281 0.189 19699 455 1 1 . 1 1 104 104 GLY CA C 104 45.274 45.274 45.091 0.183 19699 456 1 1 . 1 1 104 104 GLY H H 104 8.589 8.589 8.804 -0.215 19699 457 1 1 . 1 1 105 105 ASN N N 105 120.001 120.001 121.085 -1.084 19699 458 1 1 . 1 1 105 105 ASN C C 105 171.914 171.914 173.577 -1.663 19699 459 1 1 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.550 -1.498 19699 460 1 1 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.351 -2.772 19699 461 1 1 . 1 1 105 105 ASN H H 105 7.561 7.561 7.589 -0.028 19699 462 1 1 . 1 1 106 106 LEU N N 106 122.396 122.396 124.016 -1.620 19699 463 1 1 . 1 1 106 106 LEU C C 106 175.196 175.196 174.664 0.532 19699 464 1 1 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.424 -0.467 19699 465 1 1 . 1 1 106 106 LEU CB C 106 41.741 41.741 42.979 -1.238 19699 466 1 1 . 1 1 106 106 LEU H H 106 7.775 7.775 7.803 -0.028 19699 467 1 1 . 1 1 107 107 TYR N N 107 123.722 123.722 126.870 -3.148 19699 468 1 1 . 1 1 107 107 TYR C C 107 175.955 175.955 175.845 0.110 19699 469 1 1 . 1 1 107 107 TYR CA C 107 55.879 55.879 56.747 -0.868 19699 470 1 1 . 1 1 107 107 TYR CB C 107 39.562 39.562 38.550 1.012 19699 471 1 1 . 1 1 107 107 TYR H H 107 9.210 9.210 8.975 0.235 19699 472 1 1 . 1 1 108 108 VAL N N 108 121.472 121.472 124.878 -3.406 19699 473 1 1 . 1 1 108 108 VAL C C 108 177.065 177.065 175.593 1.472 19699 474 1 1 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.864 -0.829 19699 475 1 1 . 1 1 108 108 VAL CB C 108 32.041 32.041 32.981 -0.940 19699 476 1 1 . 1 1 108 108 VAL H H 108 8.991 8.991 8.715 0.276 19699 477 1 1 . 1 1 109 109 TYR N N 109 129.064 129.064 127.967 1.097 19699 478 1 1 . 1 1 109 109 TYR CA C 109 57.187 57.187 57.132 0.055 19699 479 1 1 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.048 -0.825 19699 480 1 1 . 1 1 109 109 TYR H H 109 9.242 9.242 8.194 1.048 19699 481 1 1 . 1 1 110 110 PRO C C 110 176.067 176.067 176.509 -0.442 19699 482 1 1 . 1 1 111 111 ASN N N 111 112.749 112.749 116.027 -3.278 19699 483 1 1 . 1 1 111 111 ASN C C 111 175.296 175.296 175.375 -0.079 19699 484 1 1 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.608 -0.636 19699 485 1 1 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.018 -1.513 19699 486 1 1 . 1 1 111 111 ASN H H 111 8.031 8.031 8.291 -0.260 19699 487 1 1 . 1 1 112 112 ALA N N 112 124.990 124.990 122.583 2.407 19699 488 1 1 . 1 1 112 112 ALA C C 112 178.295 178.295 176.972 1.323 19699 489 1 1 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.839 0.372 19699 490 1 1 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.791 -1.101 19699 491 1 1 . 1 1 112 112 ALA H H 112 7.678 7.678 7.405 0.273 19699 492 1 1 . 1 1 113 113 THR N N 113 116.898 116.898 115.858 1.040 19699 493 1 1 . 1 1 113 113 THR C C 113 175.601 175.601 176.325 -0.724 19699 494 1 1 . 1 1 113 113 THR CA C 113 63.391 63.391 63.320 0.071 19699 495 1 1 . 1 1 113 113 THR CB C 113 69.220 69.220 69.508 -0.288 19699 496 1 1 . 1 1 113 113 THR H H 113 8.530 8.530 8.161 0.369 19699 497 1 1 . 1 1 114 114 THR N N 114 122.908 122.908 119.917 2.991 19699 498 1 1 . 1 1 114 114 THR C C 114 175.178 175.178 176.724 -1.546 19699 499 1 1 . 1 1 114 114 THR CA C 114 63.941 63.941 64.828 -0.887 19699 500 1 1 . 1 1 114 114 THR CB C 114 68.628 68.628 68.447 0.181 19699 501 1 1 . 1 1 114 114 THR H H 114 8.530 8.530 8.407 0.123 19699 502 1 1 . 1 1 115 115 GLY N N 115 114.662 114.662 109.499 5.163 19699 503 1 1 . 1 1 115 115 GLY C C 115 175.853 175.853 176.249 -0.396 19699 504 1 1 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.821 -1.761 19699 505 1 1 . 1 1 115 115 GLY H H 115 8.822 8.822 8.403 0.419 19699 506 1 1 . 1 1 116 116 SER N N 116 118.029 118.029 117.226 0.803 19699 507 1 1 . 1 1 116 116 SER C C 116 176.740 176.740 177.061 -0.321 19699 508 1 1 . 1 1 116 116 SER CA C 116 61.370 61.370 60.420 0.950 19699 509 1 1 . 1 1 116 116 SER CB C 116 62.652 62.652 62.558 0.094 19699 510 1 1 . 1 1 116 116 SER H H 116 8.138 8.138 7.988 0.150 19699 511 1 1 . 1 1 117 117 ALA N N 117 124.981 124.981 125.866 -0.885 19699 512 1 1 . 1 1 117 117 ALA C C 117 178.629 178.629 179.788 -1.159 19699 513 1 1 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.180 -0.450 19699 514 1 1 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.421 -1.128 19699 515 1 1 . 1 1 117 117 ALA H H 117 8.787 8.787 8.004 0.783 19699 516 1 1 . 1 1 118 118 ASP N N 118 115.338 115.338 116.832 -1.494 19699 517 1 1 . 1 1 118 118 ASP C C 118 176.339 176.339 177.345 -1.006 19699 518 1 1 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.459 -1.212 19699 519 1 1 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.612 -0.358 19699 520 1 1 . 1 1 118 118 ASP H H 118 7.937 7.937 8.216 -0.280 19699 521 1 1 . 1 1 119 119 SER N N 119 115.239 115.239 113.743 1.496 19699 522 1 1 . 1 1 119 119 SER C C 119 173.992 173.992 174.370 -0.378 19699 523 1 1 . 1 1 119 119 SER CA C 119 57.490 57.490 58.271 -0.781 19699 524 1 1 . 1 1 119 119 SER CB C 119 64.406 64.406 63.141 1.265 19699 525 1 1 . 1 1 119 119 SER H H 119 7.831 7.831 7.406 0.425 19699 526 1 1 . 1 1 120 120 VAL N N 120 124.259 124.259 125.108 -0.849 19699 527 1 1 . 1 1 120 120 VAL C C 120 175.395 175.395 175.957 -0.562 19699 528 1 1 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.938 -1.806 19699 529 1 1 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.090 -0.798 19699 530 1 1 . 1 1 120 120 VAL H H 120 7.360 7.360 7.288 0.072 19699 531 1 1 . 1 1 121 121 ARG N N 121 129.213 129.213 124.995 4.218 19699 532 1 1 . 1 1 121 121 ARG C C 121 174.280 174.280 174.023 0.257 19699 533 1 1 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.687 2.336 19699 534 1 1 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.572 -1.269 19699 535 1 1 . 1 1 121 121 ARG H H 121 9.752 9.752 9.057 0.695 19699 536 1 1 . 1 1 122 122 CYS N N 122 119.036 119.036 121.495 -2.459 19699 537 1 1 . 1 1 122 122 CYS C C 122 174.282 174.282 173.476 0.806 19699 538 1 1 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.288 -2.479 19699 539 1 1 . 1 1 122 122 CYS CB C 122 46.263 46.263 28.136 18.127 19699 540 1 1 . 1 1 122 122 CYS H H 122 8.568 8.568 8.656 -0.088 19699 541 1 1 . 1 1 123 123 ARG N N 123 124.532 124.532 129.813 -5.281 19699 542 1 1 . 1 1 123 123 ARG C C 123 175.100 175.100 174.207 0.893 19699 543 1 1 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.334 -0.176 19699 544 1 1 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.512 -1.602 19699 545 1 1 . 1 1 123 123 ARG H H 123 9.099 9.099 8.865 0.234 19699 546 1 1 . 1 1 124 124 LEU N N 124 132.168 132.168 128.284 3.884 19699 547 1 1 . 1 1 124 124 LEU C C 124 173.758 173.758 174.436 -0.678 19699 548 1 1 . 1 1 124 124 LEU H H 124 10.076 10.076 9.295 0.781 19699 549 1 1 . 1 1 125 125 ARG N N 125 128.271 128.271 128.830 -0.559 19699 550 1 1 . 1 1 125 125 ARG C C 125 175.505 175.505 174.468 1.037 19699 551 1 1 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.060 -0.459 19699 552 1 1 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.541 -1.742 19699 553 1 1 . 1 1 125 125 ARG H H 125 9.086 9.086 9.166 -0.080 19699 554 1 1 . 1 1 126 126 MET N N 126 108.020 108.020 128.340 -20.320 19699 555 1 1 . 1 1 126 126 MET C C 126 174.911 174.911 173.903 1.008 19699 556 1 1 . 1 1 126 126 MET CA C 126 54.118 54.118 54.634 -0.516 19699 557 1 1 . 1 1 126 126 MET CB C 126 33.459 33.459 35.197 -1.738 19699 558 1 1 . 1 1 126 126 MET H H 126 9.003 9.003 8.948 0.055 19699 559 1 1 . 1 1 127 127 CYS N N 127 126.794 126.794 126.317 0.477 19699 560 1 1 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.644 -3.459 19699 561 1 1 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.521 19.741 19699 562 1 1 . 1 1 127 127 CYS H H 127 8.849 8.849 8.819 0.030 19699 563 1 1 . 1 1 128 128 PRO C C 128 174.880 174.880 175.430 -0.550 19699 564 1 1 . 1 1 129 129 TRP N N 129 118.064 118.064 120.764 -2.700 19699 565 1 1 . 1 1 129 129 TRP C C 129 173.252 173.252 176.181 -2.929 19699 566 1 1 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.581 -0.246 19699 567 1 1 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.768 -0.722 19699 568 1 1 . 1 1 129 129 TRP H H 129 7.775 7.775 8.648 -0.873 19699 569 1 1 . 1 1 130 130 THR N N 130 112.900 112.900 113.003 -0.103 19699 570 1 1 . 1 1 130 130 THR C C 130 172.690 172.690 173.608 -0.918 19699 571 1 1 . 1 1 130 130 THR CA C 130 58.923 58.923 60.027 -1.104 19699 572 1 1 . 1 1 130 130 THR CB C 130 69.380 69.380 71.429 -2.049 19699 573 1 1 . 1 1 130 130 THR H H 130 8.810 8.810 8.420 0.390 19699 574 1 1 . 1 1 131 131 SER N N 131 122.448 122.448 115.689 6.759 19699 575 1 1 . 1 1 131 131 SER C C 131 174.399 174.399 173.811 0.588 19699 576 1 1 . 1 1 131 131 SER CA C 131 58.582 58.582 57.723 0.859 19699 577 1 1 . 1 1 131 131 SER CB C 131 63.356 63.356 64.448 -1.092 19699 578 1 1 . 1 1 131 131 SER H H 131 8.898 8.898 8.625 0.273 19699 579 1 1 . 1 1 132 132 ASN N N 132 124.196 124.196 121.837 2.359 19699 580 1 1 . 1 1 132 132 ASN C C 132 175.577 175.577 175.959 -0.382 19699 581 1 1 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.732 0.435 19699 582 1 1 . 1 1 132 132 ASN CB C 132 38.071 38.071 39.211 -1.140 19699 583 1 1 . 1 1 132 132 ASN H H 132 8.785 8.785 7.476 1.309 19699 584 1 1 . 1 1 133 133 SER N N 133 120.691 120.691 123.342 -2.651 19699 585 1 1 . 1 1 133 133 SER C C 133 174.574 174.574 175.508 -0.934 19699 586 1 1 . 1 1 133 133 SER CA C 133 59.820 59.820 60.190 -0.370 19699 587 1 1 . 1 1 133 133 SER CB C 133 62.342 62.342 63.092 -0.750 19699 588 1 1 . 1 1 133 133 SER H H 133 8.580 8.580 8.740 -0.160 19699 589 1 1 . 1 1 134 134 LYS N N 134 119.450 119.450 119.559 -0.109 19699 590 1 1 . 1 1 134 134 LYS C C 134 176.698 176.698 176.920 -0.222 19699 591 1 1 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.951 -1.264 19699 592 1 1 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.652 -1.292 19699 593 1 1 . 1 1 134 134 LYS H H 134 7.904 7.904 8.106 -0.202 19699 594 1 1 . 1 1 135 135 MET N N 135 121.695 121.695 119.036 2.659 19699 595 1 1 . 1 1 135 135 MET C C 135 175.354 175.354 176.000 -0.646 19699 596 1 1 . 1 1 135 135 MET CA C 135 55.498 55.498 55.789 -0.291 19699 597 1 1 . 1 1 135 135 MET CB C 135 33.295 33.295 33.155 0.140 19699 598 1 1 . 1 1 135 135 MET H H 135 7.343 7.343 7.529 -0.186 19699 599 1 1 . 1 1 136 136 THR N N 136 114.220 114.220 111.683 2.537 19699 600 1 1 . 1 1 136 136 THR C C 136 173.806 173.806 173.204 0.602 19699 601 1 1 . 1 1 136 136 THR CA C 136 61.228 61.228 61.166 0.062 19699 602 1 1 . 1 1 136 136 THR CB C 136 69.201 69.201 69.830 -0.629 19699 603 1 1 . 1 1 136 136 THR H H 136 8.633 8.633 8.384 0.249 19699 604 1 1 . 1 1 137 137 ALA N N 137 125.205 125.205 122.458 2.747 19699 605 1 1 . 1 1 137 137 ALA C C 137 173.600 173.600 174.496 -0.896 19699 606 1 1 . 1 1 137 137 ALA CA C 137 49.842 49.842 49.990 -0.148 19699 607 1 1 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.732 -1.604 19699 608 1 1 . 1 1 137 137 ALA H H 137 7.637 7.637 7.438 0.199 19699 609 1 1 . 1 1 138 138 PRO C C 138 175.117 175.117 175.760 -0.643 19699 610 1 1 . 1 1 139 139 ASP N N 139 121.528 121.528 120.405 1.123 19699 611 1 1 . 1 1 139 139 ASP C C 139 174.966 174.966 177.044 -2.078 19699 612 1 1 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.069 -0.492 19699 613 1 1 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.410 -0.667 19699 614 1 1 . 1 1 139 139 ASP H H 139 7.299 7.299 8.128 -0.829 19699 615 1 1 . 1 1 140 140 GLU N N 140 118.631 118.631 119.832 -1.201 19699 616 1 1 . 1 1 140 140 GLU C C 140 178.914 178.914 178.422 0.492 19699 617 1 1 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.437 -0.631 19699 618 1 1 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.685 -1.167 19699 619 1 1 . 1 1 140 140 GLU H H 140 8.524 8.524 8.667 -0.143 19699 620 1 1 . 1 1 141 141 GLU N N 141 119.900 119.900 119.211 0.689 19699 621 1 1 . 1 1 141 141 GLU C C 141 178.162 178.162 179.009 -0.847 19699 622 1 1 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.374 -0.725 19699 623 1 1 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.294 -0.887 19699 624 1 1 . 1 1 141 141 GLU H H 141 8.116 8.116 8.484 -0.368 19699 625 1 1 . 1 1 142 142 MET N N 142 121.303 121.303 118.618 2.685 19699 626 1 1 . 1 1 142 142 MET C C 142 178.689 178.689 178.925 -0.236 19699 627 1 1 . 1 1 142 142 MET CA C 142 59.370 59.370 59.362 0.007 19699 628 1 1 . 1 1 142 142 MET CB C 142 33.252 33.252 32.772 0.480 19699 629 1 1 . 1 1 142 142 MET H H 142 7.989 7.989 8.933 -0.944 19699 630 1 1 . 1 1 143 143 LEU N N 143 117.901 117.901 119.581 -1.680 19699 631 1 1 . 1 1 143 143 LEU C C 143 180.619 180.619 178.459 2.160 19699 632 1 1 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.699 0.114 19699 633 1 1 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.567 -1.298 19699 634 1 1 . 1 1 143 143 LEU H H 143 8.485 8.485 8.338 0.147 19699 635 1 1 . 1 1 144 144 ARG N N 144 120.175 120.175 117.109 3.066 19699 636 1 1 . 1 1 144 144 ARG C C 144 180.648 180.648 178.877 1.771 19699 637 1 1 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.622 -0.372 19699 638 1 1 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.242 -1.317 19699 639 1 1 . 1 1 144 144 ARG H H 144 7.900 7.900 8.258 -0.358 19699 640 1 1 . 1 1 145 145 LYS N N 145 119.936 119.936 119.194 0.742 19699 641 1 1 . 1 1 145 145 LYS C C 145 178.813 178.813 178.995 -0.182 19699 642 1 1 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.214 -0.590 19699 643 1 1 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.457 -0.394 19699 644 1 1 . 1 1 145 145 LYS H H 145 7.850 7.850 8.003 -0.153 19699 645 1 1 . 1 1 146 146 MET N N 146 115.986 115.986 117.437 -1.451 19699 646 1 1 . 1 1 146 146 MET C C 146 176.094 176.094 176.618 -0.524 19699 647 1 1 . 1 1 146 146 MET CA C 146 55.267 55.267 55.929 -0.662 19699 648 1 1 . 1 1 146 146 MET CB C 146 32.898 32.898 32.606 0.292 19699 649 1 1 . 1 1 146 146 MET H H 146 7.776 7.776 8.179 -0.403 19699 650 1 1 . 1 1 147 147 SER N N 147 119.679 119.679 116.545 3.134 19699 651 1 1 . 1 1 147 147 SER C C 147 175.114 175.114 176.139 -1.025 19699 652 1 1 . 1 1 147 147 SER CA C 147 62.736 62.736 62.045 0.690 19699 653 1 1 . 1 1 147 147 SER CB C 147 62.105 62.105 63.057 -0.952 19699 654 1 1 . 1 1 147 147 SER H H 147 7.430 7.430 7.803 -0.373 19699 655 1 1 . 1 1 148 148 GLU N N 148 117.968 117.968 121.705 -3.737 19699 656 1 1 . 1 1 148 148 GLU C C 148 179.313 179.313 177.589 1.724 19699 657 1 1 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.661 0.414 19699 658 1 1 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.427 0.111 19699 659 1 1 . 1 1 148 148 GLU H H 148 9.216 9.216 8.289 0.927 19699 660 1 1 . 1 1 149 149 VAL N N 149 115.349 115.349 118.014 -2.665 19699 661 1 1 . 1 1 149 149 VAL C C 149 176.790 176.790 177.752 -0.962 19699 662 1 1 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.704 -0.840 19699 663 1 1 . 1 1 149 149 VAL H H 149 7.325 7.325 7.665 -0.340 19699 664 1 1 . 1 1 150 150 LEU N N 150 119.724 119.724 120.542 -0.818 19699 665 1 1 . 1 1 150 150 LEU C C 150 178.010 178.010 177.860 0.150 19699 666 1 1 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.539 -0.331 19699 667 1 1 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.433 -2.007 19699 668 1 1 . 1 1 150 150 LEU H H 150 7.387 7.387 8.315 -0.928 19699 669 1 1 . 1 1 151 151 ASN N N 151 112.853 112.853 116.290 -3.437 19699 670 1 1 . 1 1 151 151 ASN C C 151 176.682 176.682 174.667 2.015 19699 671 1 1 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.369 -0.279 19699 672 1 1 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.575 -0.279 19699 673 1 1 . 1 1 151 151 ASN H H 151 7.593 7.593 7.710 -0.117 19699 674 1 1 . 1 1 152 152 LEU N N 152 122.057 122.057 122.258 -0.201 19699 675 1 1 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.380 1.073 19699 676 1 1 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.518 -1.929 19699 677 1 1 . 1 1 152 152 LEU H H 152 7.193 7.193 7.618 -0.425 19699 678 1 1 . 1 1 153 153 PRO C C 153 177.670 177.670 175.755 1.915 19699 679 1 1 . 1 1 154 154 ASN N N 154 121.894 121.894 119.469 2.425 19699 680 1 1 . 1 1 154 154 ASN C C 154 176.786 176.786 175.060 1.726 19699 681 1 1 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.507 -0.750 19699 682 1 1 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.492 -1.663 19699 683 1 1 . 1 1 154 154 ASN H H 154 8.824 8.824 8.553 0.271 19699 684 1 1 . 1 1 155 155 TYR N N 155 124.386 124.386 124.209 0.177 19699 685 1 1 . 1 1 155 155 TYR C C 155 173.048 173.048 173.824 -0.776 19699 686 1 1 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.245 -2.522 19699 687 1 1 . 1 1 155 155 TYR CB C 155 39.711 39.711 41.189 -1.478 19699 688 1 1 . 1 1 155 155 TYR H H 155 8.245 8.245 8.679 -0.434 19699 689 1 2 . 1 1 2 2 HIS N N 2 122.591 122.591 121.111 1.480 19699 690 1 2 . 1 1 2 2 HIS C C 2 174.514 174.514 174.850 -0.336 19699 691 1 2 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.517 -1.216 19699 692 1 2 . 1 1 2 2 HIS CB C 2 28.454 28.454 28.814 -0.360 19699 693 1 2 . 1 1 2 2 HIS H H 2 8.695 8.695 8.716 -0.021 19699 694 1 2 . 1 1 3 3 SER N N 3 120.223 120.223 117.728 2.495 19699 695 1 2 . 1 1 3 3 SER C C 3 175.623 175.623 175.020 0.603 19699 696 1 2 . 1 1 3 3 SER CA C 3 58.703 58.703 58.771 -0.068 19699 697 1 2 . 1 1 3 3 SER CB C 3 63.275 63.275 64.030 -0.755 19699 698 1 2 . 1 1 3 3 SER H H 3 8.797 8.797 8.412 0.385 19699 699 1 2 . 1 1 4 4 LEU N N 4 126.300 126.300 126.621 -0.321 19699 700 1 2 . 1 1 4 4 LEU C C 4 175.677 175.677 176.056 -0.379 19699 701 1 2 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.627 -0.578 19699 702 1 2 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.799 -0.192 19699 703 1 2 . 1 1 4 4 LEU H H 4 8.332 8.332 8.183 0.149 19699 704 1 2 . 1 1 5 5 GLY N N 5 108.289 108.289 107.424 0.865 19699 705 1 2 . 1 1 5 5 GLY C C 5 171.743 171.743 173.315 -1.572 19699 706 1 2 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.111 -0.461 19699 707 1 2 . 1 1 5 5 GLY H H 5 7.737 7.737 7.660 0.077 19699 708 1 2 . 1 1 6 6 CYS N N 6 112.366 112.366 122.833 -10.467 19699 709 1 2 . 1 1 6 6 CYS C C 6 172.715 172.715 174.570 -1.855 19699 710 1 2 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.346 -2.622 19699 711 1 2 . 1 1 6 6 CYS CB C 6 48.588 48.588 28.845 19.743 19699 712 1 2 . 1 1 6 6 CYS H H 6 7.688 7.688 8.089 -0.401 19699 713 1 2 . 1 1 7 7 TYR N N 7 122.399 122.399 119.914 2.485 19699 714 1 2 . 1 1 7 7 TYR C C 7 174.024 174.024 174.476 -0.452 19699 715 1 2 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.177 0.476 19699 716 1 2 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.516 -1.994 19699 717 1 2 . 1 1 7 7 TYR H H 7 8.733 8.733 8.865 -0.132 19699 718 1 2 . 1 1 8 8 PHE N N 8 123.806 123.806 122.380 1.426 19699 719 1 2 . 1 1 8 8 PHE C C 8 175.708 175.708 175.603 0.105 19699 720 1 2 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.783 -0.075 19699 721 1 2 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.846 -1.271 19699 722 1 2 . 1 1 8 8 PHE H H 8 9.088 9.088 9.006 0.082 19699 723 1 2 . 1 1 9 9 LYS N N 9 121.663 121.663 123.552 -1.889 19699 724 1 2 . 1 1 9 9 LYS C C 9 176.024 176.024 175.614 0.410 19699 725 1 2 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.961 -2.572 19699 726 1 2 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.712 0.849 19699 727 1 2 . 1 1 9 9 LYS H H 9 9.284 9.284 9.083 0.201 19699 728 1 2 . 1 1 10 10 GLY N N 10 109.739 109.739 108.497 1.242 19699 729 1 2 . 1 1 10 10 GLY C C 10 172.722 172.722 173.535 -0.813 19699 730 1 2 . 1 1 10 10 GLY CA C 10 44.202 44.202 44.014 0.188 19699 731 1 2 . 1 1 10 10 GLY H H 10 8.755 8.755 8.664 0.091 19699 732 1 2 . 1 1 11 11 ILE N N 11 122.761 122.761 124.028 -1.267 19699 733 1 2 . 1 1 11 11 ILE C C 11 174.106 174.106 174.943 -0.837 19699 734 1 2 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.171 -0.059 19699 735 1 2 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.731 1.014 19699 736 1 2 . 1 1 11 11 ILE H H 11 8.212 8.212 8.893 -0.681 19699 737 1 2 . 1 1 12 12 ASN N N 12 127.675 127.675 126.579 1.096 19699 738 1 2 . 1 1 12 12 ASN CA C 12 49.739 49.739 51.017 -1.278 19699 739 1 2 . 1 1 12 12 ASN CB C 12 37.585 37.585 37.937 -0.352 19699 740 1 2 . 1 1 12 12 ASN H H 12 9.050 9.050 8.795 0.255 19699 741 1 2 . 1 1 13 13 PRO C C 13 176.450 176.450 176.432 0.018 19699 742 1 2 . 1 1 14 14 THR N N 14 115.695 115.695 112.788 2.907 19699 743 1 2 . 1 1 14 14 THR C C 14 173.172 173.172 173.793 -0.621 19699 744 1 2 . 1 1 14 14 THR CA C 14 59.908 59.908 60.020 -0.112 19699 745 1 2 . 1 1 14 14 THR CB C 14 70.727 70.727 72.257 -1.530 19699 746 1 2 . 1 1 14 14 THR H H 14 9.320 9.320 8.522 0.798 19699 747 1 2 . 1 1 15 15 LYS N N 15 123.952 123.952 124.882 -0.930 19699 748 1 2 . 1 1 15 15 LYS C C 15 177.147 177.147 176.200 0.947 19699 749 1 2 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.582 0.104 19699 750 1 2 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.385 -1.421 19699 751 1 2 . 1 1 15 15 LYS H H 15 8.534 8.534 8.470 0.064 19699 752 1 2 . 1 1 16 16 VAL N N 16 129.976 129.976 128.580 1.396 19699 753 1 2 . 1 1 16 16 VAL CA C 16 58.944 58.944 59.689 -0.745 19699 754 1 2 . 1 1 16 16 VAL CB C 16 32.014 32.014 32.167 -0.153 19699 755 1 2 . 1 1 16 16 VAL H H 16 8.836 8.836 8.414 0.422 19699 756 1 2 . 1 1 17 17 PRO C C 17 176.397 176.397 175.549 0.848 19699 757 1 2 . 1 1 18 18 SER N N 18 117.885 117.885 117.767 0.118 19699 758 1 2 . 1 1 18 18 SER C C 18 174.516 174.516 174.220 0.296 19699 759 1 2 . 1 1 18 18 SER CA C 18 56.695 56.695 57.470 -0.775 19699 760 1 2 . 1 1 18 18 SER CB C 18 64.232 64.232 64.788 -0.556 19699 761 1 2 . 1 1 18 18 SER H H 18 8.303 8.303 7.775 0.528 19699 762 1 2 . 1 1 19 19 SER N N 19 120.346 120.346 117.862 2.484 19699 763 1 2 . 1 1 19 19 SER C C 19 173.829 173.829 174.687 -0.858 19699 764 1 2 . 1 1 19 19 SER CA C 19 58.080 58.080 58.918 -0.838 19699 765 1 2 . 1 1 19 19 SER CB C 19 62.659 62.659 63.507 -0.848 19699 766 1 2 . 1 1 19 19 SER H H 19 8.679 8.679 8.379 0.300 19699 767 1 2 . 1 1 20 20 ASP N N 20 126.377 126.377 125.047 1.330 19699 768 1 2 . 1 1 20 20 ASP CA C 20 52.384 52.384 53.188 -0.805 19699 769 1 2 . 1 1 20 20 ASP CB C 20 41.535 41.535 42.241 -0.706 19699 770 1 2 . 1 1 20 20 ASP H H 20 8.247 8.247 7.593 0.654 19699 771 1 2 . 1 1 21 21 PRO C C 21 177.616 177.616 176.758 0.858 19699 772 1 2 . 1 1 22 22 ARG N N 22 119.127 119.127 117.094 2.033 19699 773 1 2 . 1 1 22 22 ARG C C 22 175.307 175.307 176.233 -0.926 19699 774 1 2 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.972 -0.558 19699 775 1 2 . 1 1 22 22 ARG CB C 22 28.805 28.805 30.956 -2.151 19699 776 1 2 . 1 1 22 22 ARG H H 22 8.692 8.692 8.339 0.353 19699 777 1 2 . 1 1 23 23 THR N N 23 120.270 120.270 118.973 1.297 19699 778 1 2 . 1 1 23 23 THR C C 23 172.509 172.509 173.856 -1.347 19699 779 1 2 . 1 1 23 23 THR CA C 23 63.089 63.089 63.112 -0.023 19699 780 1 2 . 1 1 23 23 THR CB C 23 69.254 69.254 69.444 -0.190 19699 781 1 2 . 1 1 23 23 THR H H 23 8.265 8.265 8.185 0.080 19699 782 1 2 . 1 1 24 24 VAL N N 24 129.461 129.461 128.292 1.169 19699 783 1 2 . 1 1 24 24 VAL C C 24 174.663 174.663 174.599 0.064 19699 784 1 2 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.090 -0.106 19699 785 1 2 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.235 -0.631 19699 786 1 2 . 1 1 24 24 VAL H H 24 8.992 8.992 8.594 0.398 19699 787 1 2 . 1 1 25 25 LEU N N 25 126.449 126.449 129.091 -2.642 19699 788 1 2 . 1 1 25 25 LEU C C 25 174.669 174.669 175.631 -0.962 19699 789 1 2 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.283 -1.036 19699 790 1 2 . 1 1 25 25 LEU CB C 25 44.162 44.162 43.021 1.141 19699 791 1 2 . 1 1 25 25 LEU H H 25 9.281 9.281 8.841 0.440 19699 792 1 2 . 1 1 26 26 LYS N N 26 120.574 120.574 124.443 -3.869 19699 793 1 2 . 1 1 26 26 LYS C C 26 175.637 175.637 174.929 0.708 19699 794 1 2 . 1 1 26 26 LYS CA C 26 53.665 53.665 54.799 -1.134 19699 795 1 2 . 1 1 26 26 LYS CB C 26 36.820 36.820 35.564 1.256 19699 796 1 2 . 1 1 26 26 LYS H H 26 8.832 8.832 8.938 -0.106 19699 797 1 2 . 1 1 27 27 CYS N N 27 126.079 126.079 127.013 -0.934 19699 798 1 2 . 1 1 27 27 CYS C C 27 172.527 172.527 174.465 -1.938 19699 799 1 2 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.119 -5.691 19699 800 1 2 . 1 1 27 27 CYS CB C 27 44.628 44.628 26.460 18.168 19699 801 1 2 . 1 1 27 27 CYS H H 27 8.709 8.709 9.049 -0.340 19699 802 1 2 . 1 1 28 28 THR N N 28 122.887 122.887 121.954 0.933 19699 803 1 2 . 1 1 28 28 THR C C 28 172.844 172.844 173.992 -1.148 19699 804 1 2 . 1 1 28 28 THR CA C 28 64.228 64.228 63.335 0.893 19699 805 1 2 . 1 1 28 28 THR CB C 28 68.222 68.222 69.155 -0.933 19699 806 1 2 . 1 1 28 28 THR H H 28 8.086 8.086 8.413 -0.327 19699 807 1 2 . 1 1 29 29 LEU N N 29 127.761 127.761 129.367 -1.606 19699 808 1 2 . 1 1 29 29 LEU CA C 29 50.361 50.361 50.887 -0.526 19699 809 1 2 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.197 -3.406 19699 810 1 2 . 1 1 29 29 LEU H H 29 8.452 8.452 8.057 0.395 19699 811 1 2 . 1 1 30 30 PRO C C 30 174.451 174.451 175.874 -1.423 19699 812 1 2 . 1 1 31 31 ASP N N 31 120.693 120.693 123.014 -2.321 19699 813 1 2 . 1 1 31 31 ASP C C 31 175.442 175.442 175.183 0.259 19699 814 1 2 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.947 -1.025 19699 815 1 2 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.738 -1.493 19699 816 1 2 . 1 1 31 31 ASP H H 31 8.380 8.380 8.511 -0.131 19699 817 1 2 . 1 1 32 32 VAL N N 32 127.962 127.962 123.713 4.249 19699 818 1 2 . 1 1 32 32 VAL C C 32 173.841 173.841 175.580 -1.739 19699 819 1 2 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.541 -0.574 19699 820 1 2 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.144 0.258 19699 821 1 2 . 1 1 32 32 VAL H H 32 7.195 7.195 7.770 -0.575 19699 822 1 2 . 1 1 33 33 LYS N N 33 127.967 127.967 130.132 -2.165 19699 823 1 2 . 1 1 33 33 LYS C C 33 176.805 176.805 175.756 1.049 19699 824 1 2 . 1 1 33 33 LYS CA C 33 54.758 54.758 56.018 -1.260 19699 825 1 2 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.125 -1.052 19699 826 1 2 . 1 1 33 33 LYS H H 33 8.375 8.375 8.838 -0.463 19699 827 1 2 . 1 1 34 34 VAL N N 34 110.772 110.772 115.791 -5.019 19699 828 1 2 . 1 1 34 34 VAL C C 34 174.766 174.766 174.102 0.664 19699 829 1 2 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.790 -1.851 19699 830 1 2 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.624 -0.950 19699 831 1 2 . 1 1 34 34 VAL H H 34 6.445 6.445 7.828 -1.383 19699 832 1 2 . 1 1 35 35 ASN N N 35 123.757 123.757 121.322 2.435 19699 833 1 2 . 1 1 35 35 ASN C C 35 173.218 173.218 174.241 -1.023 19699 834 1 2 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.523 0.113 19699 835 1 2 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.908 -0.780 19699 836 1 2 . 1 1 35 35 ASN H H 35 8.723 8.723 8.776 -0.053 19699 837 1 2 . 1 1 36 36 ALA N N 36 124.355 124.355 126.684 -2.329 19699 838 1 2 . 1 1 36 36 ALA C C 36 175.731 175.731 174.981 0.750 19699 839 1 2 . 1 1 36 36 ALA H H 36 7.176 7.176 8.171 -0.995 19699 840 1 2 . 1 1 37 37 SER N N 37 116.842 116.842 113.727 3.115 19699 841 1 2 . 1 1 37 37 SER C C 37 173.137 173.137 172.739 0.398 19699 842 1 2 . 1 1 37 37 SER CA C 37 56.592 56.592 57.216 -0.624 19699 843 1 2 . 1 1 37 37 SER CB C 37 65.760 65.760 66.883 -1.123 19699 844 1 2 . 1 1 37 37 SER H H 37 8.185 8.185 7.744 0.441 19699 845 1 2 . 1 1 38 38 TRP N N 38 123.519 123.519 121.238 2.281 19699 846 1 2 . 1 1 38 38 TRP C C 38 174.100 174.100 176.220 -2.120 19699 847 1 2 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.751 -0.917 19699 848 1 2 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.947 -5.353 19699 849 1 2 . 1 1 38 38 TRP H H 38 8.895 8.895 9.304 -0.409 19699 850 1 2 . 1 1 39 39 THR N N 39 120.476 120.476 119.435 1.041 19699 851 1 2 . 1 1 39 39 THR C C 39 174.400 174.400 173.595 0.805 19699 852 1 2 . 1 1 39 39 THR CA C 39 61.580 61.580 61.993 -0.413 19699 853 1 2 . 1 1 39 39 THR CB C 39 70.182 70.182 70.087 0.095 19699 854 1 2 . 1 1 39 39 THR H H 39 9.073 9.073 9.075 -0.002 19699 855 1 2 . 1 1 40 40 LEU N N 40 129.561 129.561 128.711 0.850 19699 856 1 2 . 1 1 40 40 LEU C C 40 173.008 173.008 175.297 -2.289 19699 857 1 2 . 1 1 40 40 LEU H H 40 10.036 10.036 9.250 0.786 19699 858 1 2 . 1 1 41 41 GLU N N 41 126.217 126.217 122.885 3.332 19699 859 1 2 . 1 1 41 41 GLU C C 41 174.208 174.208 174.843 -0.635 19699 860 1 2 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.376 -1.225 19699 861 1 2 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.833 -2.741 19699 862 1 2 . 1 1 41 41 GLU H H 41 8.504 8.504 8.537 -0.033 19699 863 1 2 . 1 1 42 42 TRP N N 42 131.942 131.942 127.683 4.259 19699 864 1 2 . 1 1 42 42 TRP C C 42 174.332 174.332 175.888 -1.556 19699 865 1 2 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.612 -1.528 19699 866 1 2 . 1 1 42 42 TRP CB C 42 27.913 27.913 29.891 -1.978 19699 867 1 2 . 1 1 42 42 TRP H H 42 9.446 9.446 9.080 0.366 19699 868 1 2 . 1 1 43 43 VAL N N 43 127.871 127.871 124.090 3.781 19699 869 1 2 . 1 1 43 43 VAL C C 43 175.693 175.693 175.085 0.608 19699 870 1 2 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.230 0.989 19699 871 1 2 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.248 -2.794 19699 872 1 2 . 1 1 43 43 VAL H H 43 9.065 9.065 9.425 -0.360 19699 873 1 2 . 1 1 44 44 VAL N N 44 129.882 129.882 126.727 3.155 19699 874 1 2 . 1 1 44 44 VAL C C 44 176.740 176.740 176.444 0.296 19699 875 1 2 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.072 0.103 19699 876 1 2 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.164 -3.679 19699 877 1 2 . 1 1 44 44 VAL H H 44 8.895 8.895 9.077 -0.182 19699 878 1 2 . 1 1 45 45 VAL N N 45 125.719 125.719 129.346 -3.627 19699 879 1 2 . 1 1 45 45 VAL C C 45 179.320 179.320 176.673 2.647 19699 880 1 2 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.934 0.928 19699 881 1 2 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.140 -0.935 19699 882 1 2 . 1 1 45 45 VAL H H 45 7.462 7.462 8.408 -0.946 19699 883 1 2 . 1 1 46 46 ASN N N 46 114.964 114.964 116.211 -1.247 19699 884 1 2 . 1 1 46 46 ASN C C 46 175.545 175.545 176.040 -0.495 19699 885 1 2 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.218 -0.408 19699 886 1 2 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.544 -2.467 19699 887 1 2 . 1 1 46 46 ASN H H 46 8.550 8.550 7.687 0.863 19699 888 1 2 . 1 1 47 47 LEU N N 47 117.360 117.360 116.863 0.497 19699 889 1 2 . 1 1 47 47 LEU C C 47 175.920 175.920 176.832 -0.912 19699 890 1 2 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.932 -1.666 19699 891 1 2 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.468 -0.823 19699 892 1 2 . 1 1 47 47 LEU H H 47 7.023 7.023 7.748 -0.725 19699 893 1 2 . 1 1 48 48 HIS N N 48 116.042 116.042 114.639 1.403 19699 894 1 2 . 1 1 48 48 HIS C C 48 172.021 172.021 174.154 -2.133 19699 895 1 2 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.328 -1.734 19699 896 1 2 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.612 -0.382 19699 897 1 2 . 1 1 48 48 HIS H H 48 7.581 7.581 7.665 -0.084 19699 898 1 2 . 1 1 49 49 THR N N 49 107.923 107.923 111.538 -3.615 19699 899 1 2 . 1 1 49 49 THR C C 49 171.828 171.828 172.367 -0.539 19699 900 1 2 . 1 1 49 49 THR CA C 49 58.493 58.493 60.671 -2.178 19699 901 1 2 . 1 1 49 49 THR CB C 49 68.152 68.152 71.379 -3.227 19699 902 1 2 . 1 1 49 49 THR H H 49 7.011 7.011 7.965 -0.954 19699 903 1 2 . 1 1 50 50 SER N N 50 114.393 114.393 115.271 -0.878 19699 904 1 2 . 1 1 50 50 SER C C 50 172.904 172.904 173.134 -0.230 19699 905 1 2 . 1 1 50 50 SER CA C 50 55.318 55.318 56.895 -1.577 19699 906 1 2 . 1 1 50 50 SER CB C 50 66.748 66.748 66.404 0.344 19699 907 1 2 . 1 1 50 50 SER H H 50 8.066 8.066 8.303 -0.237 19699 908 1 2 . 1 1 51 51 VAL N N 51 123.100 123.100 120.413 2.687 19699 909 1 2 . 1 1 51 51 VAL C C 51 176.585 176.585 175.550 1.035 19699 910 1 2 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.740 0.473 19699 911 1 2 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.542 -1.191 19699 912 1 2 . 1 1 51 51 VAL H H 51 8.667 8.667 8.565 0.102 19699 913 1 2 . 1 1 52 52 ASP N N 52 129.313 129.313 128.450 0.863 19699 914 1 2 . 1 1 52 52 ASP C C 52 173.916 173.916 174.729 -0.813 19699 915 1 2 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.608 2.134 19699 916 1 2 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.117 0.811 19699 917 1 2 . 1 1 52 52 ASP H H 52 9.402 9.402 8.555 0.847 19699 918 1 2 . 1 1 53 53 VAL N N 53 118.437 118.437 122.987 -4.550 19699 919 1 2 . 1 1 53 53 VAL C C 53 175.402 175.402 173.416 1.986 19699 920 1 2 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.586 -1.818 19699 921 1 2 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.922 -0.076 19699 922 1 2 . 1 1 53 53 VAL H H 53 7.080 7.080 8.471 -1.391 19699 923 1 2 . 1 1 54 54 THR N N 54 115.972 115.972 118.725 -2.753 19699 924 1 2 . 1 1 54 54 THR C C 54 174.081 174.081 173.395 0.686 19699 925 1 2 . 1 1 54 54 THR CA C 54 58.682 58.682 59.878 -1.196 19699 926 1 2 . 1 1 54 54 THR CB C 54 70.590 70.590 71.570 -0.980 19699 927 1 2 . 1 1 54 54 THR H H 54 9.682 9.682 9.011 0.671 19699 928 1 2 . 1 1 55 55 SER N N 55 117.493 117.493 118.858 -1.365 19699 929 1 2 . 1 1 55 55 SER C C 55 172.532 172.532 172.848 -0.316 19699 930 1 2 . 1 1 55 55 SER CA C 55 58.440 58.440 56.947 1.493 19699 931 1 2 . 1 1 55 55 SER CB C 55 64.406 64.406 65.016 -0.610 19699 932 1 2 . 1 1 55 55 SER H H 55 9.115 9.115 8.548 0.567 19699 933 1 2 . 1 1 56 56 TYR N N 56 127.570 127.570 126.730 0.840 19699 934 1 2 . 1 1 56 56 TYR C C 56 173.235 173.235 175.510 -2.275 19699 935 1 2 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.066 2.225 19699 936 1 2 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.944 -0.310 19699 937 1 2 . 1 1 56 56 TYR H H 56 8.706 8.706 9.368 -0.662 19699 938 1 2 . 1 1 57 57 TYR N N 57 126.921 126.921 120.992 5.929 19699 939 1 2 . 1 1 57 57 TYR C C 57 175.189 175.189 174.971 0.218 19699 940 1 2 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.400 -1.990 19699 941 1 2 . 1 1 57 57 TYR CB C 57 40.543 40.543 43.020 -2.477 19699 942 1 2 . 1 1 57 57 TYR H H 57 9.160 9.160 9.612 -0.452 19699 943 1 2 . 1 1 58 58 GLU N N 58 114.689 114.689 121.285 -6.596 19699 944 1 2 . 1 1 58 58 GLU C C 58 176.098 176.098 175.288 0.810 19699 945 1 2 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.243 0.078 19699 946 1 2 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.110 -0.113 19699 947 1 2 . 1 1 58 58 GLU H H 58 7.814 7.814 9.133 -1.319 19699 948 1 2 . 1 1 59 59 SER N N 59 118.144 118.144 121.647 -3.503 19699 949 1 2 . 1 1 59 59 SER C C 59 172.474 172.474 173.427 -0.953 19699 950 1 2 . 1 1 59 59 SER CA C 59 56.261 56.261 56.733 -0.472 19699 951 1 2 . 1 1 59 59 SER CB C 59 67.299 67.299 67.056 0.243 19699 952 1 2 . 1 1 59 59 SER H H 59 9.059 9.059 8.763 0.296 19699 953 1 2 . 1 1 60 60 SER N N 60 120.314 120.314 113.232 7.082 19699 954 1 2 . 1 1 60 60 SER CA C 60 56.956 56.956 56.062 0.894 19699 955 1 2 . 1 1 60 60 SER CB C 60 65.027 65.027 64.620 0.407 19699 956 1 2 . 1 1 60 60 SER H H 60 9.489 9.489 8.580 0.909 19699 957 1 2 . 1 1 61 61 PRO C C 61 175.753 175.753 176.854 -1.101 19699 958 1 2 . 1 1 62 62 ASN N N 62 110.807 110.807 112.027 -1.220 19699 959 1 2 . 1 1 62 62 ASN C C 62 174.630 174.630 174.949 -0.319 19699 960 1 2 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.485 -2.075 19699 961 1 2 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.531 -0.575 19699 962 1 2 . 1 1 62 62 ASN H H 62 7.693 7.693 7.974 -0.281 19699 963 1 2 . 1 1 63 63 SER N N 63 115.903 115.903 116.530 -0.627 19699 964 1 2 . 1 1 63 63 SER C C 63 171.926 171.926 173.890 -1.964 19699 965 1 2 . 1 1 63 63 SER CA C 63 57.927 57.927 57.243 0.684 19699 966 1 2 . 1 1 63 63 SER CB C 63 64.472 64.472 64.447 0.025 19699 967 1 2 . 1 1 63 63 SER H H 63 7.636 7.636 8.271 -0.635 19699 968 1 2 . 1 1 64 64 GLU N N 64 128.229 128.229 126.769 1.460 19699 969 1 2 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.562 0.765 19699 970 1 2 . 1 1 64 64 GLU CB C 64 25.436 25.436 28.520 -3.084 19699 971 1 2 . 1 1 64 64 GLU H H 64 9.432 9.432 8.716 0.716 19699 972 1 2 . 1 1 65 65 PRO C C 65 175.912 175.912 176.284 -0.372 19699 973 1 2 . 1 1 66 66 ARG N N 66 125.093 125.093 124.329 0.764 19699 974 1 2 . 1 1 66 66 ARG C C 66 175.221 175.221 175.411 -0.190 19699 975 1 2 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.940 -0.187 19699 976 1 2 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.796 -2.624 19699 977 1 2 . 1 1 66 66 ARG H H 66 8.054 8.054 8.802 -0.748 19699 978 1 2 . 1 1 67 67 PHE N N 67 126.028 126.028 124.187 1.841 19699 979 1 2 . 1 1 67 67 PHE C C 67 174.478 174.478 175.259 -0.781 19699 980 1 2 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.108 -0.212 19699 981 1 2 . 1 1 67 67 PHE CB C 67 38.054 38.054 39.006 -0.952 19699 982 1 2 . 1 1 67 67 PHE H H 67 9.078 9.078 8.887 0.191 19699 983 1 2 . 1 1 68 68 LEU N N 68 127.080 127.080 129.145 -2.065 19699 984 1 2 . 1 1 68 68 LEU C C 68 175.994 175.994 175.560 0.434 19699 985 1 2 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.720 -0.848 19699 986 1 2 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.248 1.527 19699 987 1 2 . 1 1 68 68 LEU H H 68 8.477 8.477 8.675 -0.198 19699 988 1 2 . 1 1 69 69 ARG N N 69 111.037 111.037 111.456 -0.419 19699 989 1 2 . 1 1 69 69 ARG C C 69 172.738 172.738 173.367 -0.629 19699 990 1 2 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.637 0.289 19699 991 1 2 . 1 1 69 69 ARG CB C 69 29.729 29.729 31.967 -2.238 19699 992 1 2 . 1 1 69 69 ARG H H 69 6.560 6.560 7.056 -0.496 19699 993 1 2 . 1 1 70 70 ALA N N 70 124.959 124.959 122.990 1.969 19699 994 1 2 . 1 1 70 70 ALA C C 70 177.538 177.538 175.963 1.575 19699 995 1 2 . 1 1 70 70 ALA CA C 70 50.155 50.155 51.254 -1.099 19699 996 1 2 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.112 -3.512 19699 997 1 2 . 1 1 70 70 ALA H H 70 8.749 8.749 8.409 0.340 19699 998 1 2 . 1 1 71 71 ILE N N 71 120.318 120.318 123.286 -2.968 19699 999 1 2 . 1 1 71 71 ILE C C 71 174.971 174.971 175.332 -0.361 19699 1000 1 2 . 1 1 71 71 ILE CA C 71 59.181 59.181 60.029 -0.848 19699 1001 1 2 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.220 -1.720 19699 1002 1 2 . 1 1 71 71 ILE H H 71 8.532 8.532 9.169 -0.637 19699 1003 1 2 . 1 1 72 72 LEU N N 72 124.858 124.858 126.374 -1.516 19699 1004 1 2 . 1 1 72 72 LEU C C 72 176.383 176.383 177.463 -1.080 19699 1005 1 2 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.525 0.621 19699 1006 1 2 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.421 -1.886 19699 1007 1 2 . 1 1 72 72 LEU H H 72 8.370 8.370 8.757 -0.387 19699 1008 1 2 . 1 1 73 73 ASN N N 73 118.206 118.206 120.830 -2.624 19699 1009 1 2 . 1 1 73 73 ASN C C 73 174.181 174.181 174.809 -0.628 19699 1010 1 2 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.388 -1.699 19699 1011 1 2 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.145 -1.035 19699 1012 1 2 . 1 1 73 73 ASN H H 73 8.220 8.220 8.728 -0.508 19699 1013 1 2 . 1 1 74 74 PHE N N 74 123.331 123.331 123.586 -0.255 19699 1014 1 2 . 1 1 74 74 PHE C C 74 176.458 176.458 175.582 0.876 19699 1015 1 2 . 1 1 74 74 PHE CA C 74 59.394 59.394 60.671 -1.277 19699 1016 1 2 . 1 1 74 74 PHE CB C 74 39.548 39.548 40.023 -0.475 19699 1017 1 2 . 1 1 74 74 PHE H H 74 7.606 7.606 8.391 -0.785 19699 1018 1 2 . 1 1 75 75 THR N N 75 109.350 109.350 111.423 -2.073 19699 1019 1 2 . 1 1 75 75 THR H H 75 7.826 7.826 7.967 -0.141 19699 1020 1 2 . 1 1 76 76 PRO C C 76 176.832 176.832 176.583 0.249 19699 1021 1 2 . 1 1 77 77 MET N N 77 122.265 122.265 118.064 4.201 19699 1022 1 2 . 1 1 77 77 MET C C 77 176.515 176.515 175.234 1.281 19699 1023 1 2 . 1 1 77 77 MET CA C 77 55.525 55.525 55.154 0.371 19699 1024 1 2 . 1 1 77 77 MET CB C 77 30.039 30.039 32.027 -1.988 19699 1025 1 2 . 1 1 77 77 MET H H 77 8.404 8.404 8.376 0.028 19699 1026 1 2 . 1 1 78 78 HIS N N 78 123.575 123.575 119.343 4.232 19699 1027 1 2 . 1 1 78 78 HIS C C 78 175.951 175.951 175.761 0.190 19699 1028 1 2 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.707 -0.133 19699 1029 1 2 . 1 1 78 78 HIS CB C 78 29.895 29.895 29.636 0.259 19699 1030 1 2 . 1 1 78 78 HIS H H 78 8.469 8.469 8.019 0.450 19699 1031 1 2 . 1 1 80 80 LEU C C 80 177.711 177.711 176.365 1.346 19699 1032 1 2 . 1 1 81 81 ARG N N 81 119.707 119.707 121.573 -1.866 19699 1033 1 2 . 1 1 81 81 ARG C C 81 177.060 177.060 175.603 1.457 19699 1034 1 2 . 1 1 81 81 ARG H H 81 8.368 8.368 8.498 -0.130 19699 1035 1 2 . 1 1 82 82 THR N N 82 114.163 114.163 111.956 2.207 19699 1036 1 2 . 1 1 82 82 THR C C 82 174.712 174.712 173.664 1.048 19699 1037 1 2 . 1 1 82 82 THR CA C 82 62.533 62.533 62.956 -0.423 19699 1038 1 2 . 1 1 82 82 THR H H 82 7.936 7.936 8.261 -0.325 19699 1039 1 2 . 1 1 83 83 LYS N N 83 121.875 121.875 119.742 2.133 19699 1040 1 2 . 1 1 83 83 LYS C C 83 175.855 175.855 176.377 -0.522 19699 1041 1 2 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.733 -0.033 19699 1042 1 2 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.643 -1.321 19699 1043 1 2 . 1 1 83 83 LYS H H 83 8.092 8.092 7.854 0.238 19699 1044 1 2 . 1 1 84 84 ASN N N 84 118.272 118.272 122.153 -3.881 19699 1045 1 2 . 1 1 84 84 ASN C C 84 176.216 176.216 174.929 1.287 19699 1046 1 2 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.834 -0.232 19699 1047 1 2 . 1 1 84 84 ASN CB C 84 38.706 38.706 37.680 1.026 19699 1048 1 2 . 1 1 84 84 ASN H H 84 8.163 8.163 8.716 -0.553 19699 1049 1 2 . 1 1 85 85 LEU N N 85 123.394 123.394 123.890 -0.496 19699 1050 1 2 . 1 1 85 85 LEU C C 85 176.987 176.987 176.984 0.003 19699 1051 1 2 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.642 -0.376 19699 1052 1 2 . 1 1 85 85 LEU CB C 85 40.497 40.497 42.937 -2.440 19699 1053 1 2 . 1 1 85 85 LEU H H 85 8.382 8.382 7.850 0.532 19699 1054 1 2 . 1 1 86 86 LEU N N 86 122.330 122.330 122.104 0.226 19699 1055 1 2 . 1 1 86 86 LEU C C 86 175.867 175.867 176.751 -0.884 19699 1056 1 2 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.911 -0.296 19699 1057 1 2 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.241 0.247 19699 1058 1 2 . 1 1 86 86 LEU H H 86 8.350 8.350 8.594 -0.244 19699 1059 1 2 . 1 1 87 87 LYS N N 87 121.964 121.964 122.440 -0.476 19699 1060 1 2 . 1 1 87 87 LYS C C 87 179.215 179.215 178.359 0.856 19699 1061 1 2 . 1 1 87 87 LYS CA C 87 54.413 54.413 53.693 0.720 19699 1062 1 2 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.206 1.713 19699 1063 1 2 . 1 1 87 87 LYS H H 87 9.560 9.560 8.991 0.569 19699 1064 1 2 . 1 1 88 88 VAL N N 88 124.714 124.714 123.167 1.547 19699 1065 1 2 . 1 1 88 88 VAL C C 88 181.289 181.289 178.436 2.853 19699 1066 1 2 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.793 -0.062 19699 1067 1 2 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.845 -1.749 19699 1068 1 2 . 1 1 88 88 VAL H H 88 8.331 8.331 8.848 -0.517 19699 1069 1 2 . 1 1 89 89 LYS N N 89 119.721 119.721 117.206 2.515 19699 1070 1 2 . 1 1 89 89 LYS C C 89 176.988 176.988 177.042 -0.054 19699 1071 1 2 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.374 -3.642 19699 1072 1 2 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.500 -1.063 19699 1073 1 2 . 1 1 89 89 LYS H H 89 8.356 8.356 8.367 -0.011 19699 1074 1 2 . 1 1 90 90 ASP N N 90 117.057 117.057 118.475 -1.418 19699 1075 1 2 . 1 1 90 90 ASP C C 90 174.938 174.938 175.970 -1.032 19699 1076 1 2 . 1 1 90 90 ASP CA C 90 54.722 54.722 55.279 -0.557 19699 1077 1 2 . 1 1 90 90 ASP CB C 90 42.585 42.585 42.089 0.496 19699 1078 1 2 . 1 1 90 90 ASP H H 90 7.613 7.613 7.827 -0.214 19699 1079 1 2 . 1 1 91 91 GLY N N 91 104.457 104.457 104.829 -0.372 19699 1080 1 2 . 1 1 91 91 GLY C C 91 172.136 172.136 172.635 -0.499 19699 1081 1 2 . 1 1 91 91 GLY CA C 91 44.478 44.478 44.551 -0.073 19699 1082 1 2 . 1 1 91 91 GLY H H 91 8.078 8.078 7.931 0.147 19699 1083 1 2 . 1 1 92 92 PHE N N 92 117.903 117.903 118.230 -0.327 19699 1084 1 2 . 1 1 92 92 PHE C C 92 173.925 173.925 173.716 0.209 19699 1085 1 2 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.343 0.430 19699 1086 1 2 . 1 1 92 92 PHE CB C 92 42.583 42.583 43.709 -1.125 19699 1087 1 2 . 1 1 92 92 PHE H H 92 7.038 7.038 7.827 -0.789 19699 1088 1 2 . 1 1 93 93 GLN N N 93 123.497 123.497 121.887 1.610 19699 1089 1 2 . 1 1 93 93 GLN C C 93 173.550 173.550 174.016 -0.466 19699 1090 1 2 . 1 1 93 93 GLN CA C 93 53.751 53.751 55.083 -1.332 19699 1091 1 2 . 1 1 93 93 GLN CB C 93 33.893 33.893 31.806 2.087 19699 1092 1 2 . 1 1 93 93 GLN H H 93 8.716 8.716 8.928 -0.212 19699 1093 1 2 . 1 1 94 94 VAL N N 94 130.740 130.740 128.813 1.927 19699 1094 1 2 . 1 1 94 94 VAL C C 94 176.502 176.502 175.464 1.038 19699 1095 1 2 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.915 -0.384 19699 1096 1 2 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.077 -0.930 19699 1097 1 2 . 1 1 94 94 VAL H H 94 9.180 9.180 8.456 0.724 19699 1098 1 2 . 1 1 95 95 ASP N N 95 128.925 128.925 127.908 1.017 19699 1099 1 2 . 1 1 95 95 ASP C C 95 175.655 175.655 175.923 -0.268 19699 1100 1 2 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.526 -0.224 19699 1101 1 2 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.550 -1.449 19699 1102 1 2 . 1 1 95 95 ASP H H 95 8.397 8.397 8.868 -0.471 19699 1103 1 2 . 1 1 96 96 ASN N N 96 126.934 126.934 124.270 2.664 19699 1104 1 2 . 1 1 96 96 ASN C C 96 176.193 176.193 174.908 1.285 19699 1105 1 2 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.016 -0.314 19699 1106 1 2 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.402 0.382 19699 1107 1 2 . 1 1 96 96 ASN H H 96 8.367 8.367 8.496 -0.129 19699 1108 1 2 . 1 1 97 97 SER N N 97 117.606 117.606 116.111 1.495 19699 1109 1 2 . 1 1 97 97 SER C C 97 176.522 176.522 174.883 1.639 19699 1110 1 2 . 1 1 97 97 SER CA C 97 58.237 58.237 57.239 0.998 19699 1111 1 2 . 1 1 97 97 SER CB C 97 63.473 63.473 64.622 -1.149 19699 1112 1 2 . 1 1 97 97 SER H H 97 8.645 8.645 8.789 -0.144 19699 1113 1 2 . 1 1 98 98 THR N N 98 115.391 115.391 119.076 -3.685 19699 1114 1 2 . 1 1 98 98 THR C C 98 175.591 175.591 175.236 0.355 19699 1115 1 2 . 1 1 98 98 THR CA C 98 61.477 61.477 62.748 -1.271 19699 1116 1 2 . 1 1 98 98 THR CB C 98 68.670 68.670 68.775 -0.105 19699 1117 1 2 . 1 1 98 98 THR H H 98 8.722 8.722 8.991 -0.269 19699 1118 1 2 . 1 1 99 99 ASP N N 99 120.196 120.196 121.242 -1.046 19699 1119 1 2 . 1 1 99 99 ASP C C 99 176.485 176.485 177.343 -0.858 19699 1120 1 2 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.634 -1.457 19699 1121 1 2 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.231 1.025 19699 1122 1 2 . 1 1 99 99 ASP H H 99 8.326 8.326 8.085 0.241 19699 1123 1 2 . 1 1 100 100 ASN N N 100 118.377 118.377 117.961 0.416 19699 1124 1 2 . 1 1 100 100 ASN C C 100 176.916 176.916 176.721 0.195 19699 1125 1 2 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.416 -1.648 19699 1126 1 2 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.075 -1.127 19699 1127 1 2 . 1 1 100 100 ASN H H 100 7.905 7.905 8.054 -0.149 19699 1128 1 2 . 1 1 101 101 GLY N N 101 110.470 110.470 105.836 4.634 19699 1129 1 2 . 1 1 101 101 GLY C C 101 173.824 173.824 174.742 -0.918 19699 1130 1 2 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.595 -0.137 19699 1131 1 2 . 1 1 101 101 GLY H H 101 8.450 8.450 8.614 -0.164 19699 1132 1 2 . 1 1 102 102 ASN N N 102 121.816 121.816 118.865 2.951 19699 1133 1 2 . 1 1 102 102 ASN C C 102 174.402 174.402 175.141 -0.739 19699 1134 1 2 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.603 -1.157 19699 1135 1 2 . 1 1 102 102 ASN CB C 102 40.494 40.494 39.005 1.489 19699 1136 1 2 . 1 1 102 102 ASN H H 102 8.707 8.707 8.303 0.404 19699 1137 1 2 . 1 1 103 103 GLY N N 103 108.784 108.784 106.900 1.884 19699 1138 1 2 . 1 1 103 103 GLY C C 103 174.814 174.814 174.021 0.793 19699 1139 1 2 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.395 1.811 19699 1140 1 2 . 1 1 103 103 GLY H H 103 7.977 7.977 7.803 0.174 19699 1141 1 2 . 1 1 104 104 GLY N N 104 114.736 114.736 112.981 1.755 19699 1142 1 2 . 1 1 104 104 GLY C C 104 174.470 174.470 174.366 0.104 19699 1143 1 2 . 1 1 104 104 GLY CA C 104 45.274 45.274 45.115 0.159 19699 1144 1 2 . 1 1 104 104 GLY H H 104 8.589 8.589 8.814 -0.225 19699 1145 1 2 . 1 1 105 105 ASN N N 105 120.001 120.001 121.311 -1.310 19699 1146 1 2 . 1 1 105 105 ASN C C 105 171.914 171.914 173.891 -1.977 19699 1147 1 2 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.810 -1.758 19699 1148 1 2 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.439 -2.860 19699 1149 1 2 . 1 1 105 105 ASN H H 105 7.561 7.561 7.708 -0.147 19699 1150 1 2 . 1 1 106 106 LEU N N 106 122.396 122.396 124.250 -1.854 19699 1151 1 2 . 1 1 106 106 LEU C C 106 175.196 175.196 174.817 0.379 19699 1152 1 2 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.609 -0.652 19699 1153 1 2 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.174 -1.433 19699 1154 1 2 . 1 1 106 106 LEU H H 106 7.775 7.775 7.999 -0.224 19699 1155 1 2 . 1 1 107 107 TYR N N 107 123.722 123.722 126.946 -3.224 19699 1156 1 2 . 1 1 107 107 TYR C C 107 175.955 175.955 175.849 0.106 19699 1157 1 2 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.295 -1.416 19699 1158 1 2 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.223 0.339 19699 1159 1 2 . 1 1 107 107 TYR H H 107 9.210 9.210 9.268 -0.058 19699 1160 1 2 . 1 1 108 108 VAL N N 108 121.472 121.472 124.130 -2.658 19699 1161 1 2 . 1 1 108 108 VAL C C 108 177.065 177.065 175.333 1.732 19699 1162 1 2 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.990 -0.955 19699 1163 1 2 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.337 -1.296 19699 1164 1 2 . 1 1 108 108 VAL H H 108 8.991 8.991 8.789 0.202 19699 1165 1 2 . 1 1 109 109 TYR N N 109 129.064 129.064 127.506 1.558 19699 1166 1 2 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.907 0.280 19699 1167 1 2 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.300 -1.077 19699 1168 1 2 . 1 1 109 109 TYR H H 109 9.242 9.242 8.823 0.419 19699 1169 1 2 . 1 1 110 110 PRO C C 110 176.067 176.067 176.490 -0.423 19699 1170 1 2 . 1 1 111 111 ASN N N 111 112.749 112.749 115.980 -3.231 19699 1171 1 2 . 1 1 111 111 ASN C C 111 175.296 175.296 175.361 -0.065 19699 1172 1 2 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.590 -0.618 19699 1173 1 2 . 1 1 111 111 ASN CB C 111 36.505 36.505 37.990 -1.485 19699 1174 1 2 . 1 1 111 111 ASN H H 111 8.031 8.031 8.266 -0.235 19699 1175 1 2 . 1 1 112 112 ALA N N 112 124.990 124.990 122.554 2.436 19699 1176 1 2 . 1 1 112 112 ALA C C 112 178.295 178.295 177.097 1.198 19699 1177 1 2 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.770 0.441 19699 1178 1 2 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.743 -1.053 19699 1179 1 2 . 1 1 112 112 ALA H H 112 7.678 7.678 7.361 0.317 19699 1180 1 2 . 1 1 113 113 THR N N 113 116.898 116.898 115.982 0.916 19699 1181 1 2 . 1 1 113 113 THR C C 113 175.601 175.601 176.308 -0.707 19699 1182 1 2 . 1 1 113 113 THR CA C 113 63.391 63.391 63.385 0.006 19699 1183 1 2 . 1 1 113 113 THR CB C 113 69.220 69.220 69.457 -0.237 19699 1184 1 2 . 1 1 113 113 THR H H 113 8.530 8.530 8.153 0.377 19699 1185 1 2 . 1 1 114 114 THR N N 114 122.908 122.908 119.989 2.919 19699 1186 1 2 . 1 1 114 114 THR C C 114 175.178 175.178 176.712 -1.534 19699 1187 1 2 . 1 1 114 114 THR CA C 114 63.941 63.941 64.872 -0.931 19699 1188 1 2 . 1 1 114 114 THR CB C 114 68.628 68.628 68.505 0.123 19699 1189 1 2 . 1 1 114 114 THR H H 114 8.530 8.530 8.439 0.091 19699 1190 1 2 . 1 1 115 115 GLY N N 115 114.662 114.662 109.207 5.455 19699 1191 1 2 . 1 1 115 115 GLY C C 115 175.853 175.853 175.743 0.110 19699 1192 1 2 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.781 -1.721 19699 1193 1 2 . 1 1 115 115 GLY H H 115 8.822 8.822 8.352 0.470 19699 1194 1 2 . 1 1 116 116 SER N N 116 118.029 118.029 115.946 2.083 19699 1195 1 2 . 1 1 116 116 SER C C 116 176.740 176.740 176.736 0.004 19699 1196 1 2 . 1 1 116 116 SER CA C 116 61.370 61.370 60.256 1.114 19699 1197 1 2 . 1 1 116 116 SER CB C 116 62.652 62.652 63.146 -0.494 19699 1198 1 2 . 1 1 116 116 SER H H 116 8.138 8.138 7.323 0.815 19699 1199 1 2 . 1 1 117 117 ALA N N 117 124.981 124.981 125.678 -0.697 19699 1200 1 2 . 1 1 117 117 ALA C C 117 178.629 178.629 179.882 -1.253 19699 1201 1 2 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.126 -0.396 19699 1202 1 2 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.271 -0.978 19699 1203 1 2 . 1 1 117 117 ALA H H 117 8.787 8.787 8.083 0.704 19699 1204 1 2 . 1 1 118 118 ASP N N 118 115.338 115.338 116.923 -1.585 19699 1205 1 2 . 1 1 118 118 ASP C C 118 176.339 176.339 177.180 -0.841 19699 1206 1 2 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.473 -1.226 19699 1207 1 2 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.628 -0.374 19699 1208 1 2 . 1 1 118 118 ASP H H 118 7.937 7.937 8.228 -0.291 19699 1209 1 2 . 1 1 119 119 SER N N 119 115.239 115.239 113.343 1.896 19699 1210 1 2 . 1 1 119 119 SER C C 119 173.992 173.992 174.135 -0.143 19699 1211 1 2 . 1 1 119 119 SER CA C 119 57.490 57.490 57.364 0.126 19699 1212 1 2 . 1 1 119 119 SER CB C 119 64.406 64.406 63.304 1.102 19699 1213 1 2 . 1 1 119 119 SER H H 119 7.831 7.831 7.727 0.104 19699 1214 1 2 . 1 1 120 120 VAL N N 120 124.259 124.259 124.967 -0.708 19699 1215 1 2 . 1 1 120 120 VAL C C 120 175.395 175.395 175.923 -0.528 19699 1216 1 2 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.784 -1.652 19699 1217 1 2 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.018 -0.726 19699 1218 1 2 . 1 1 120 120 VAL H H 120 7.360 7.360 7.291 0.069 19699 1219 1 2 . 1 1 121 121 ARG N N 121 129.213 129.213 125.386 3.827 19699 1220 1 2 . 1 1 121 121 ARG C C 121 174.280 174.280 173.988 0.292 19699 1221 1 2 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.649 2.374 19699 1222 1 2 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.624 -1.321 19699 1223 1 2 . 1 1 121 121 ARG H H 121 9.752 9.752 9.058 0.694 19699 1224 1 2 . 1 1 122 122 CYS N N 122 119.036 119.036 121.825 -2.789 19699 1225 1 2 . 1 1 122 122 CYS C C 122 174.282 174.282 173.511 0.771 19699 1226 1 2 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.134 -2.325 19699 1227 1 2 . 1 1 122 122 CYS CB C 122 46.263 46.263 28.020 18.243 19699 1228 1 2 . 1 1 122 122 CYS H H 122 8.568 8.568 8.615 -0.047 19699 1229 1 2 . 1 1 123 123 ARG N N 123 124.532 124.532 129.732 -5.200 19699 1230 1 2 . 1 1 123 123 ARG C C 123 175.100 175.100 174.217 0.883 19699 1231 1 2 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.225 -0.067 19699 1232 1 2 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.766 -1.856 19699 1233 1 2 . 1 1 123 123 ARG H H 123 9.099 9.099 8.895 0.204 19699 1234 1 2 . 1 1 124 124 LEU N N 124 132.168 132.168 127.981 4.187 19699 1235 1 2 . 1 1 124 124 LEU C C 124 173.758 173.758 174.523 -0.765 19699 1236 1 2 . 1 1 124 124 LEU H H 124 10.076 10.076 9.165 0.911 19699 1237 1 2 . 1 1 125 125 ARG N N 125 128.271 128.271 128.946 -0.675 19699 1238 1 2 . 1 1 125 125 ARG C C 125 175.505 175.505 174.561 0.944 19699 1239 1 2 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.139 -0.538 19699 1240 1 2 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.104 -1.305 19699 1241 1 2 . 1 1 125 125 ARG H H 125 9.086 9.086 9.123 -0.037 19699 1242 1 2 . 1 1 126 126 MET N N 126 108.020 108.020 128.377 -20.357 19699 1243 1 2 . 1 1 126 126 MET C C 126 174.911 174.911 173.954 0.957 19699 1244 1 2 . 1 1 126 126 MET CA C 126 54.118 54.118 54.687 -0.569 19699 1245 1 2 . 1 1 126 126 MET CB C 126 33.459 33.459 35.075 -1.616 19699 1246 1 2 . 1 1 126 126 MET H H 126 9.003 9.003 8.928 0.075 19699 1247 1 2 . 1 1 127 127 CYS N N 127 126.794 126.794 126.303 0.491 19699 1248 1 2 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.607 -3.422 19699 1249 1 2 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.360 19.902 19699 1250 1 2 . 1 1 127 127 CYS H H 127 8.849 8.849 8.794 0.055 19699 1251 1 2 . 1 1 128 128 PRO C C 128 174.880 174.880 175.453 -0.573 19699 1252 1 2 . 1 1 129 129 TRP N N 129 118.064 118.064 120.741 -2.677 19699 1253 1 2 . 1 1 129 129 TRP C C 129 173.252 173.252 176.219 -2.967 19699 1254 1 2 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.569 -0.233 19699 1255 1 2 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.721 -0.675 19699 1256 1 2 . 1 1 129 129 TRP H H 129 7.775 7.775 8.634 -0.859 19699 1257 1 2 . 1 1 130 130 THR N N 130 112.900 112.900 113.053 -0.153 19699 1258 1 2 . 1 1 130 130 THR C C 130 172.690 172.690 173.597 -0.907 19699 1259 1 2 . 1 1 130 130 THR CA C 130 58.923 58.923 60.015 -1.092 19699 1260 1 2 . 1 1 130 130 THR CB C 130 69.380 69.380 71.458 -2.078 19699 1261 1 2 . 1 1 130 130 THR H H 130 8.810 8.810 8.414 0.396 19699 1262 1 2 . 1 1 131 131 SER N N 131 122.448 122.448 115.644 6.804 19699 1263 1 2 . 1 1 131 131 SER C C 131 174.399 174.399 173.798 0.601 19699 1264 1 2 . 1 1 131 131 SER CA C 131 58.582 58.582 57.706 0.876 19699 1265 1 2 . 1 1 131 131 SER CB C 131 63.356 63.356 64.436 -1.081 19699 1266 1 2 . 1 1 131 131 SER H H 131 8.898 8.898 8.620 0.278 19699 1267 1 2 . 1 1 132 132 ASN N N 132 124.196 124.196 121.811 2.385 19699 1268 1 2 . 1 1 132 132 ASN C C 132 175.577 175.577 175.942 -0.365 19699 1269 1 2 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.695 0.472 19699 1270 1 2 . 1 1 132 132 ASN CB C 132 38.071 38.071 39.223 -1.152 19699 1271 1 2 . 1 1 132 132 ASN H H 132 8.785 8.785 7.471 1.314 19699 1272 1 2 . 1 1 133 133 SER N N 133 120.691 120.691 123.320 -2.629 19699 1273 1 2 . 1 1 133 133 SER C C 133 174.574 174.574 175.513 -0.939 19699 1274 1 2 . 1 1 133 133 SER CA C 133 59.820 59.820 60.199 -0.379 19699 1275 1 2 . 1 1 133 133 SER CB C 133 62.342 62.342 63.096 -0.754 19699 1276 1 2 . 1 1 133 133 SER H H 133 8.580 8.580 8.745 -0.165 19699 1277 1 2 . 1 1 134 134 LYS N N 134 119.450 119.450 119.564 -0.114 19699 1278 1 2 . 1 1 134 134 LYS C C 134 176.698 176.698 176.926 -0.228 19699 1279 1 2 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.953 -1.266 19699 1280 1 2 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.649 -1.289 19699 1281 1 2 . 1 1 134 134 LYS H H 134 7.904 7.904 8.095 -0.191 19699 1282 1 2 . 1 1 135 135 MET N N 135 121.695 121.695 119.030 2.665 19699 1283 1 2 . 1 1 135 135 MET C C 135 175.354 175.354 175.995 -0.641 19699 1284 1 2 . 1 1 135 135 MET CA C 135 55.498 55.498 55.784 -0.286 19699 1285 1 2 . 1 1 135 135 MET CB C 135 33.295 33.295 33.164 0.131 19699 1286 1 2 . 1 1 135 135 MET H H 135 7.343 7.343 7.539 -0.196 19699 1287 1 2 . 1 1 136 136 THR N N 136 114.220 114.220 111.625 2.595 19699 1288 1 2 . 1 1 136 136 THR C C 136 173.806 173.806 173.207 0.599 19699 1289 1 2 . 1 1 136 136 THR CA C 136 61.228 61.228 61.176 0.052 19699 1290 1 2 . 1 1 136 136 THR CB C 136 69.201 69.201 69.836 -0.635 19699 1291 1 2 . 1 1 136 136 THR H H 136 8.633 8.633 8.385 0.248 19699 1292 1 2 . 1 1 137 137 ALA N N 137 125.205 125.205 122.460 2.745 19699 1293 1 2 . 1 1 137 137 ALA C C 137 173.600 173.600 174.494 -0.894 19699 1294 1 2 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.002 -0.161 19699 1295 1 2 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.737 -1.609 19699 1296 1 2 . 1 1 137 137 ALA H H 137 7.637 7.637 7.440 0.197 19699 1297 1 2 . 1 1 138 138 PRO C C 138 175.117 175.117 175.759 -0.642 19699 1298 1 2 . 1 1 139 139 ASP N N 139 121.528 121.528 120.395 1.133 19699 1299 1 2 . 1 1 139 139 ASP C C 139 174.966 174.966 177.044 -2.078 19699 1300 1 2 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.054 -0.477 19699 1301 1 2 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.416 -0.673 19699 1302 1 2 . 1 1 139 139 ASP H H 139 7.299 7.299 8.116 -0.817 19699 1303 1 2 . 1 1 140 140 GLU N N 140 118.631 118.631 119.828 -1.197 19699 1304 1 2 . 1 1 140 140 GLU C C 140 178.914 178.914 178.423 0.491 19699 1305 1 2 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.439 -0.633 19699 1306 1 2 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.685 -1.167 19699 1307 1 2 . 1 1 140 140 GLU H H 140 8.524 8.524 8.668 -0.144 19699 1308 1 2 . 1 1 141 141 GLU N N 141 119.900 119.900 119.210 0.690 19699 1309 1 2 . 1 1 141 141 GLU C C 141 178.162 178.162 179.006 -0.844 19699 1310 1 2 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.373 -0.724 19699 1311 1 2 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.294 -0.887 19699 1312 1 2 . 1 1 141 141 GLU H H 141 8.116 8.116 8.485 -0.369 19699 1313 1 2 . 1 1 142 142 MET N N 142 121.303 121.303 118.622 2.681 19699 1314 1 2 . 1 1 142 142 MET C C 142 178.689 178.689 178.914 -0.225 19699 1315 1 2 . 1 1 142 142 MET CA C 142 59.370 59.370 59.373 -0.003 19699 1316 1 2 . 1 1 142 142 MET CB C 142 33.252 33.252 32.771 0.481 19699 1317 1 2 . 1 1 142 142 MET H H 142 7.989 7.989 8.940 -0.951 19699 1318 1 2 . 1 1 143 143 LEU N N 143 117.901 117.901 119.600 -1.699 19699 1319 1 2 . 1 1 143 143 LEU C C 143 180.619 180.619 178.449 2.170 19699 1320 1 2 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.696 0.117 19699 1321 1 2 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.567 -1.298 19699 1322 1 2 . 1 1 143 143 LEU H H 143 8.485 8.485 8.351 0.134 19699 1323 1 2 . 1 1 144 144 ARG N N 144 120.175 120.175 117.159 3.016 19699 1324 1 2 . 1 1 144 144 ARG C C 144 180.648 180.648 178.862 1.786 19699 1325 1 2 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.615 -0.365 19699 1326 1 2 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.235 -1.310 19699 1327 1 2 . 1 1 144 144 ARG H H 144 7.900 7.900 8.250 -0.350 19699 1328 1 2 . 1 1 145 145 LYS N N 145 119.936 119.936 119.453 0.483 19699 1329 1 2 . 1 1 145 145 LYS C C 145 178.813 178.813 179.171 -0.358 19699 1330 1 2 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.339 -0.715 19699 1331 1 2 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.471 -0.409 19699 1332 1 2 . 1 1 145 145 LYS H H 145 7.850 7.850 8.043 -0.194 19699 1333 1 2 . 1 1 146 146 MET N N 146 115.986 115.986 117.554 -1.568 19699 1334 1 2 . 1 1 146 146 MET C C 146 176.094 176.094 176.628 -0.534 19699 1335 1 2 . 1 1 146 146 MET CA C 146 55.267 55.267 56.051 -0.784 19699 1336 1 2 . 1 1 146 146 MET CB C 146 32.898 32.898 32.414 0.484 19699 1337 1 2 . 1 1 146 146 MET H H 146 7.776 7.776 8.227 -0.451 19699 1338 1 2 . 1 1 147 147 SER N N 147 119.679 119.679 116.572 3.107 19699 1339 1 2 . 1 1 147 147 SER C C 147 175.114 175.114 176.163 -1.049 19699 1340 1 2 . 1 1 147 147 SER CA C 147 62.736 62.736 62.017 0.719 19699 1341 1 2 . 1 1 147 147 SER CB C 147 62.105 62.105 62.974 -0.869 19699 1342 1 2 . 1 1 147 147 SER H H 147 7.430 7.430 7.818 -0.388 19699 1343 1 2 . 1 1 148 148 GLU N N 148 117.968 117.968 121.786 -3.818 19699 1344 1 2 . 1 1 148 148 GLU C C 148 179.313 179.313 177.688 1.625 19699 1345 1 2 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.700 0.375 19699 1346 1 2 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.470 0.068 19699 1347 1 2 . 1 1 148 148 GLU H H 148 9.216 9.216 8.176 1.040 19699 1348 1 2 . 1 1 149 149 VAL N N 149 115.349 115.349 117.936 -2.587 19699 1349 1 2 . 1 1 149 149 VAL C C 149 176.790 176.790 177.836 -1.046 19699 1350 1 2 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.674 -0.810 19699 1351 1 2 . 1 1 149 149 VAL H H 149 7.325 7.325 7.657 -0.332 19699 1352 1 2 . 1 1 150 150 LEU N N 150 119.724 119.724 120.796 -1.072 19699 1353 1 2 . 1 1 150 150 LEU C C 150 178.010 178.010 178.061 -0.051 19699 1354 1 2 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.581 -0.372 19699 1355 1 2 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.387 -1.961 19699 1356 1 2 . 1 1 150 150 LEU H H 150 7.387 7.387 8.380 -0.993 19699 1357 1 2 . 1 1 151 151 ASN N N 151 112.853 112.853 115.263 -2.410 19699 1358 1 2 . 1 1 151 151 ASN C C 151 176.682 176.682 175.478 1.204 19699 1359 1 2 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.308 -0.218 19699 1360 1 2 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.565 -0.269 19699 1361 1 2 . 1 1 151 151 ASN H H 151 7.593 7.593 7.774 -0.181 19699 1362 1 2 . 1 1 152 152 LEU N N 152 122.057 122.057 122.411 -0.354 19699 1363 1 2 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.934 0.518 19699 1364 1 2 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.410 -1.821 19699 1365 1 2 . 1 1 152 152 LEU H H 152 7.193 7.193 7.598 -0.405 19699 1366 1 2 . 1 1 153 153 PRO C C 153 177.670 177.670 175.538 2.132 19699 1367 1 2 . 1 1 154 154 ASN N N 154 121.894 121.894 119.476 2.418 19699 1368 1 2 . 1 1 154 154 ASN C C 154 176.786 176.786 175.130 1.656 19699 1369 1 2 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.546 -0.789 19699 1370 1 2 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.490 -1.661 19699 1371 1 2 . 1 1 154 154 ASN H H 154 8.824 8.824 8.548 0.276 19699 1372 1 2 . 1 1 155 155 TYR N N 155 124.386 124.386 125.459 -1.073 19699 1373 1 2 . 1 1 155 155 TYR C C 155 173.048 173.048 173.401 -0.353 19699 1374 1 2 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.325 -2.602 19699 1375 1 2 . 1 1 155 155 TYR CB C 155 39.711 39.711 40.855 -1.144 19699 1376 1 2 . 1 1 155 155 TYR H H 155 8.245 8.245 8.624 -0.379 19699 1377 1 3 . 1 1 2 2 HIS N N 2 122.591 122.591 122.691 -0.100 19699 1378 1 3 . 1 1 2 2 HIS C C 2 174.514 174.514 174.416 0.098 19699 1379 1 3 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.010 -0.709 19699 1380 1 3 . 1 1 2 2 HIS CB C 2 28.454 28.454 31.783 -3.329 19699 1381 1 3 . 1 1 2 2 HIS H H 2 8.695 8.695 8.935 -0.240 19699 1382 1 3 . 1 1 3 3 SER N N 3 120.223 120.223 121.264 -1.041 19699 1383 1 3 . 1 1 3 3 SER C C 3 175.623 175.623 174.145 1.478 19699 1384 1 3 . 1 1 3 3 SER CA C 3 58.703 58.703 58.056 0.647 19699 1385 1 3 . 1 1 3 3 SER CB C 3 63.275 63.275 63.622 -0.347 19699 1386 1 3 . 1 1 3 3 SER H H 3 8.797 8.797 8.735 0.062 19699 1387 1 3 . 1 1 4 4 LEU N N 4 126.300 126.300 127.311 -1.011 19699 1388 1 3 . 1 1 4 4 LEU C C 4 175.677 175.677 176.324 -0.647 19699 1389 1 3 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.355 -0.306 19699 1390 1 3 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.034 0.573 19699 1391 1 3 . 1 1 4 4 LEU H H 4 8.332 8.332 7.847 0.485 19699 1392 1 3 . 1 1 5 5 GLY N N 5 108.289 108.289 107.697 0.592 19699 1393 1 3 . 1 1 5 5 GLY C C 5 171.743 171.743 171.700 0.043 19699 1394 1 3 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.199 -0.549 19699 1395 1 3 . 1 1 5 5 GLY H H 5 7.737 7.737 7.544 0.193 19699 1396 1 3 . 1 1 6 6 CYS N N 6 112.366 112.366 120.448 -8.082 19699 1397 1 3 . 1 1 6 6 CYS C C 6 172.715 172.715 172.788 -0.073 19699 1398 1 3 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.919 -3.195 19699 1399 1 3 . 1 1 6 6 CYS CB C 6 48.588 48.588 28.655 19.933 19699 1400 1 3 . 1 1 6 6 CYS H H 6 7.688 7.688 7.795 -0.107 19699 1401 1 3 . 1 1 7 7 TYR N N 7 122.399 122.399 123.459 -1.060 19699 1402 1 3 . 1 1 7 7 TYR C C 7 174.024 174.024 174.343 -0.319 19699 1403 1 3 . 1 1 7 7 TYR CA C 7 56.653 56.653 55.938 0.715 19699 1404 1 3 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.389 -1.867 19699 1405 1 3 . 1 1 7 7 TYR H H 7 8.733 8.733 9.127 -0.394 19699 1406 1 3 . 1 1 8 8 PHE N N 8 123.806 123.806 120.516 3.290 19699 1407 1 3 . 1 1 8 8 PHE C C 8 175.708 175.708 175.471 0.237 19699 1408 1 3 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.685 0.023 19699 1409 1 3 . 1 1 8 8 PHE CB C 8 39.575 39.575 41.344 -1.769 19699 1410 1 3 . 1 1 8 8 PHE H H 8 9.088 9.088 8.870 0.218 19699 1411 1 3 . 1 1 9 9 LYS N N 9 121.663 121.663 124.154 -2.491 19699 1412 1 3 . 1 1 9 9 LYS C C 9 176.024 176.024 175.862 0.162 19699 1413 1 3 . 1 1 9 9 LYS CA C 9 51.389 51.389 54.084 -2.695 19699 1414 1 3 . 1 1 9 9 LYS CB C 9 37.561 37.561 35.523 2.038 19699 1415 1 3 . 1 1 9 9 LYS H H 9 9.284 9.284 8.971 0.313 19699 1416 1 3 . 1 1 10 10 GLY N N 10 109.739 109.739 110.443 -0.704 19699 1417 1 3 . 1 1 10 10 GLY C C 10 172.722 172.722 173.959 -1.237 19699 1418 1 3 . 1 1 10 10 GLY CA C 10 44.202 44.202 44.663 -0.461 19699 1419 1 3 . 1 1 10 10 GLY H H 10 8.755 8.755 8.618 0.137 19699 1420 1 3 . 1 1 11 11 ILE N N 11 122.761 122.761 125.691 -2.930 19699 1421 1 3 . 1 1 11 11 ILE C C 11 174.106 174.106 174.987 -0.881 19699 1422 1 3 . 1 1 11 11 ILE CA C 11 60.112 60.112 58.751 1.361 19699 1423 1 3 . 1 1 11 11 ILE CB C 11 42.745 42.745 39.901 2.844 19699 1424 1 3 . 1 1 11 11 ILE H H 11 8.212 8.212 8.608 -0.396 19699 1425 1 3 . 1 1 12 12 ASN N N 12 127.675 127.675 126.707 0.968 19699 1426 1 3 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.691 -0.952 19699 1427 1 3 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.701 -1.116 19699 1428 1 3 . 1 1 12 12 ASN H H 12 9.050 9.050 8.828 0.222 19699 1429 1 3 . 1 1 13 13 PRO C C 13 176.450 176.450 176.773 -0.323 19699 1430 1 3 . 1 1 14 14 THR N N 14 115.695 115.695 121.103 -5.408 19699 1431 1 3 . 1 1 14 14 THR C C 14 173.172 173.172 174.045 -0.873 19699 1432 1 3 . 1 1 14 14 THR CA C 14 59.908 59.908 61.798 -1.890 19699 1433 1 3 . 1 1 14 14 THR CB C 14 70.727 70.727 70.243 0.484 19699 1434 1 3 . 1 1 14 14 THR H H 14 9.320 9.320 8.822 0.498 19699 1435 1 3 . 1 1 15 15 LYS N N 15 123.952 123.952 128.015 -4.063 19699 1436 1 3 . 1 1 15 15 LYS C C 15 177.147 177.147 175.818 1.329 19699 1437 1 3 . 1 1 15 15 LYS CA C 15 55.686 55.686 56.859 -1.173 19699 1438 1 3 . 1 1 15 15 LYS CB C 15 31.964 31.964 32.664 -0.700 19699 1439 1 3 . 1 1 15 15 LYS H H 15 8.534 8.534 8.712 -0.178 19699 1440 1 3 . 1 1 16 16 VAL N N 16 129.976 129.976 126.371 3.605 19699 1441 1 3 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.834 0.110 19699 1442 1 3 . 1 1 16 16 VAL CB C 16 32.014 32.014 33.741 -1.727 19699 1443 1 3 . 1 1 16 16 VAL H H 16 8.836 8.836 8.745 0.091 19699 1444 1 3 . 1 1 17 17 PRO C C 17 176.397 176.397 176.129 0.268 19699 1445 1 3 . 1 1 18 18 SER N N 18 117.885 117.885 115.361 2.524 19699 1446 1 3 . 1 1 18 18 SER C C 18 174.516 174.516 175.085 -0.569 19699 1447 1 3 . 1 1 18 18 SER CA C 18 56.695 56.695 57.398 -0.703 19699 1448 1 3 . 1 1 18 18 SER CB C 18 64.232 64.232 64.369 -0.137 19699 1449 1 3 . 1 1 18 18 SER H H 18 8.303 8.303 7.763 0.540 19699 1450 1 3 . 1 1 19 19 SER N N 19 120.346 120.346 117.408 2.938 19699 1451 1 3 . 1 1 19 19 SER C C 19 173.829 173.829 174.540 -0.711 19699 1452 1 3 . 1 1 19 19 SER CA C 19 58.080 58.080 59.483 -1.403 19699 1453 1 3 . 1 1 19 19 SER CB C 19 62.659 62.659 63.205 -0.546 19699 1454 1 3 . 1 1 19 19 SER H H 19 8.679 8.679 8.508 0.171 19699 1455 1 3 . 1 1 20 20 ASP N N 20 126.377 126.377 124.278 2.099 19699 1456 1 3 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.501 -0.117 19699 1457 1 3 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.756 0.779 19699 1458 1 3 . 1 1 20 20 ASP H H 20 8.247 8.247 7.743 0.504 19699 1459 1 3 . 1 1 21 21 PRO C C 21 177.616 177.616 175.257 2.359 19699 1460 1 3 . 1 1 22 22 ARG N N 22 119.127 119.127 116.674 2.453 19699 1461 1 3 . 1 1 22 22 ARG C C 22 175.307 175.307 174.489 0.818 19699 1462 1 3 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.260 0.154 19699 1463 1 3 . 1 1 22 22 ARG CB C 22 28.805 28.805 32.152 -3.347 19699 1464 1 3 . 1 1 22 22 ARG H H 22 8.692 8.692 7.889 0.803 19699 1465 1 3 . 1 1 23 23 THR N N 23 120.270 120.270 116.890 3.380 19699 1466 1 3 . 1 1 23 23 THR C C 23 172.509 172.509 173.817 -1.308 19699 1467 1 3 . 1 1 23 23 THR CA C 23 63.089 63.089 61.861 1.228 19699 1468 1 3 . 1 1 23 23 THR CB C 23 69.254 69.254 71.391 -2.137 19699 1469 1 3 . 1 1 23 23 THR H H 23 8.265 8.265 8.388 -0.123 19699 1470 1 3 . 1 1 24 24 VAL N N 24 129.461 129.461 127.014 2.447 19699 1471 1 3 . 1 1 24 24 VAL C C 24 174.663 174.663 174.425 0.238 19699 1472 1 3 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.691 -0.707 19699 1473 1 3 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.350 -0.746 19699 1474 1 3 . 1 1 24 24 VAL H H 24 8.992 8.992 8.437 0.555 19699 1475 1 3 . 1 1 25 25 LEU N N 25 126.449 126.449 129.211 -2.762 19699 1476 1 3 . 1 1 25 25 LEU C C 25 174.669 174.669 175.712 -1.043 19699 1477 1 3 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.330 -1.083 19699 1478 1 3 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.575 1.587 19699 1479 1 3 . 1 1 25 25 LEU H H 25 9.281 9.281 8.794 0.487 19699 1480 1 3 . 1 1 26 26 LYS N N 26 120.574 120.574 125.164 -4.590 19699 1481 1 3 . 1 1 26 26 LYS C C 26 175.637 175.637 175.036 0.601 19699 1482 1 3 . 1 1 26 26 LYS CA C 26 53.665 53.665 54.858 -1.193 19699 1483 1 3 . 1 1 26 26 LYS CB C 26 36.820 36.820 35.224 1.596 19699 1484 1 3 . 1 1 26 26 LYS H H 26 8.832 8.832 8.560 0.272 19699 1485 1 3 . 1 1 27 27 CYS N N 27 126.079 126.079 127.181 -1.102 19699 1486 1 3 . 1 1 27 27 CYS C C 27 172.527 172.527 174.122 -1.595 19699 1487 1 3 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.636 -6.208 19699 1488 1 3 . 1 1 27 27 CYS CB C 27 44.628 44.628 26.703 17.925 19699 1489 1 3 . 1 1 27 27 CYS H H 27 8.709 8.709 9.100 -0.391 19699 1490 1 3 . 1 1 28 28 THR N N 28 122.887 122.887 122.880 0.007 19699 1491 1 3 . 1 1 28 28 THR C C 28 172.844 172.844 173.204 -0.360 19699 1492 1 3 . 1 1 28 28 THR CA C 28 64.228 64.228 64.022 0.205 19699 1493 1 3 . 1 1 28 28 THR CB C 28 68.222 68.222 69.330 -1.108 19699 1494 1 3 . 1 1 28 28 THR H H 28 8.086 8.086 8.462 -0.376 19699 1495 1 3 . 1 1 29 29 LEU N N 29 127.761 127.761 128.169 -0.408 19699 1496 1 3 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.178 -0.817 19699 1497 1 3 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.779 -3.988 19699 1498 1 3 . 1 1 29 29 LEU H H 29 8.452 8.452 7.896 0.556 19699 1499 1 3 . 1 1 30 30 PRO C C 30 174.451 174.451 176.035 -1.584 19699 1500 1 3 . 1 1 31 31 ASP N N 31 120.693 120.693 123.738 -3.045 19699 1501 1 3 . 1 1 31 31 ASP C C 31 175.442 175.442 175.262 0.180 19699 1502 1 3 . 1 1 31 31 ASP CA C 31 52.922 52.922 54.155 -1.233 19699 1503 1 3 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.337 -1.092 19699 1504 1 3 . 1 1 31 31 ASP H H 31 8.380 8.380 8.574 -0.194 19699 1505 1 3 . 1 1 32 32 VAL N N 32 127.962 127.962 121.845 6.117 19699 1506 1 3 . 1 1 32 32 VAL C C 32 173.841 173.841 175.583 -1.742 19699 1507 1 3 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.771 -0.803 19699 1508 1 3 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.189 0.213 19699 1509 1 3 . 1 1 32 32 VAL H H 32 7.195 7.195 7.902 -0.708 19699 1510 1 3 . 1 1 33 33 LYS N N 33 127.967 127.967 129.723 -1.756 19699 1511 1 3 . 1 1 33 33 LYS C C 33 176.805 176.805 175.972 0.833 19699 1512 1 3 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.771 -1.013 19699 1513 1 3 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.228 -1.155 19699 1514 1 3 . 1 1 33 33 LYS H H 33 8.375 8.375 8.832 -0.457 19699 1515 1 3 . 1 1 34 34 VAL N N 34 110.772 110.772 115.660 -4.888 19699 1516 1 3 . 1 1 34 34 VAL C C 34 174.766 174.766 174.188 0.578 19699 1517 1 3 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.856 -1.917 19699 1518 1 3 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.353 -0.679 19699 1519 1 3 . 1 1 34 34 VAL H H 34 6.445 6.445 7.763 -1.318 19699 1520 1 3 . 1 1 35 35 ASN N N 35 123.757 123.757 120.743 3.014 19699 1521 1 3 . 1 1 35 35 ASN C C 35 173.218 173.218 174.152 -0.934 19699 1522 1 3 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.467 0.169 19699 1523 1 3 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.861 -0.733 19699 1524 1 3 . 1 1 35 35 ASN H H 35 8.723 8.723 8.779 -0.056 19699 1525 1 3 . 1 1 36 36 ALA N N 36 124.355 124.355 126.772 -2.417 19699 1526 1 3 . 1 1 36 36 ALA C C 36 175.731 175.731 174.795 0.936 19699 1527 1 3 . 1 1 36 36 ALA H H 36 7.176 7.176 8.148 -0.972 19699 1528 1 3 . 1 1 37 37 SER N N 37 116.842 116.842 113.161 3.681 19699 1529 1 3 . 1 1 37 37 SER C C 37 173.137 173.137 172.657 0.480 19699 1530 1 3 . 1 1 37 37 SER CA C 37 56.592 56.592 56.829 -0.237 19699 1531 1 3 . 1 1 37 37 SER CB C 37 65.760 65.760 66.230 -0.470 19699 1532 1 3 . 1 1 37 37 SER H H 37 8.185 8.185 8.089 0.096 19699 1533 1 3 . 1 1 38 38 TRP N N 38 123.519 123.519 120.029 3.490 19699 1534 1 3 . 1 1 38 38 TRP C C 38 174.100 174.100 176.219 -2.119 19699 1535 1 3 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.505 -0.671 19699 1536 1 3 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.959 -5.365 19699 1537 1 3 . 1 1 38 38 TRP H H 38 8.895 8.895 8.816 0.079 19699 1538 1 3 . 1 1 39 39 THR N N 39 120.476 120.476 119.479 0.997 19699 1539 1 3 . 1 1 39 39 THR C C 39 174.400 174.400 173.774 0.626 19699 1540 1 3 . 1 1 39 39 THR CA C 39 61.580 61.580 62.381 -0.801 19699 1541 1 3 . 1 1 39 39 THR CB C 39 70.182 70.182 69.623 0.559 19699 1542 1 3 . 1 1 39 39 THR H H 39 9.073 9.073 9.075 -0.002 19699 1543 1 3 . 1 1 40 40 LEU N N 40 129.561 129.561 129.825 -0.264 19699 1544 1 3 . 1 1 40 40 LEU C C 40 173.008 173.008 175.463 -2.455 19699 1545 1 3 . 1 1 40 40 LEU H H 40 10.036 10.036 9.242 0.794 19699 1546 1 3 . 1 1 41 41 GLU N N 41 126.217 126.217 124.393 1.824 19699 1547 1 3 . 1 1 41 41 GLU C C 41 174.208 174.208 175.206 -0.998 19699 1548 1 3 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.614 -1.463 19699 1549 1 3 . 1 1 41 41 GLU CB C 41 31.092 31.092 31.890 -0.798 19699 1550 1 3 . 1 1 41 41 GLU H H 41 8.504 8.504 8.332 0.172 19699 1551 1 3 . 1 1 42 42 TRP N N 42 131.942 131.942 127.356 4.586 19699 1552 1 3 . 1 1 42 42 TRP C C 42 174.332 174.332 175.953 -1.621 19699 1553 1 3 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.614 -1.530 19699 1554 1 3 . 1 1 42 42 TRP CB C 42 27.913 27.913 29.532 -1.619 19699 1555 1 3 . 1 1 42 42 TRP H H 42 9.446 9.446 9.016 0.430 19699 1556 1 3 . 1 1 43 43 VAL N N 43 127.871 127.871 123.891 3.980 19699 1557 1 3 . 1 1 43 43 VAL C C 43 175.693 175.693 175.108 0.585 19699 1558 1 3 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.152 1.067 19699 1559 1 3 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.292 -2.838 19699 1560 1 3 . 1 1 43 43 VAL H H 43 9.065 9.065 9.229 -0.164 19699 1561 1 3 . 1 1 44 44 VAL N N 44 129.882 129.882 126.606 3.276 19699 1562 1 3 . 1 1 44 44 VAL C C 44 176.740 176.740 176.295 0.445 19699 1563 1 3 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.106 0.069 19699 1564 1 3 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.106 -3.621 19699 1565 1 3 . 1 1 44 44 VAL H H 44 8.895 8.895 9.006 -0.111 19699 1566 1 3 . 1 1 45 45 VAL N N 45 125.719 125.719 129.823 -4.104 19699 1567 1 3 . 1 1 45 45 VAL C C 45 179.320 179.320 176.388 2.932 19699 1568 1 3 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.673 1.189 19699 1569 1 3 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.071 -0.866 19699 1570 1 3 . 1 1 45 45 VAL H H 45 7.462 7.462 8.387 -0.925 19699 1571 1 3 . 1 1 46 46 ASN N N 46 114.964 114.964 116.895 -1.931 19699 1572 1 3 . 1 1 46 46 ASN C C 46 175.545 175.545 176.216 -0.671 19699 1573 1 3 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.466 -0.656 19699 1574 1 3 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.623 -2.546 19699 1575 1 3 . 1 1 46 46 ASN H H 46 8.550 8.550 7.676 0.874 19699 1576 1 3 . 1 1 47 47 LEU N N 47 117.360 117.360 116.986 0.374 19699 1577 1 3 . 1 1 47 47 LEU C C 47 175.920 175.920 176.740 -0.820 19699 1578 1 3 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.869 -1.603 19699 1579 1 3 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.368 -0.723 19699 1580 1 3 . 1 1 47 47 LEU H H 47 7.023 7.023 7.776 -0.753 19699 1581 1 3 . 1 1 48 48 HIS N N 48 116.042 116.042 115.150 0.892 19699 1582 1 3 . 1 1 48 48 HIS C C 48 172.021 172.021 174.259 -2.238 19699 1583 1 3 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.353 -1.759 19699 1584 1 3 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.877 -0.647 19699 1585 1 3 . 1 1 48 48 HIS H H 48 7.581 7.581 7.771 -0.190 19699 1586 1 3 . 1 1 49 49 THR N N 49 107.923 107.923 111.520 -3.597 19699 1587 1 3 . 1 1 49 49 THR C C 49 171.828 171.828 172.373 -0.545 19699 1588 1 3 . 1 1 49 49 THR CA C 49 58.493 58.493 60.886 -2.393 19699 1589 1 3 . 1 1 49 49 THR CB C 49 68.152 68.152 71.559 -3.407 19699 1590 1 3 . 1 1 49 49 THR H H 49 7.011 7.011 7.786 -0.775 19699 1591 1 3 . 1 1 50 50 SER N N 50 114.393 114.393 115.453 -1.060 19699 1592 1 3 . 1 1 50 50 SER C C 50 172.904 172.904 173.286 -0.382 19699 1593 1 3 . 1 1 50 50 SER CA C 50 55.318 55.318 57.274 -1.956 19699 1594 1 3 . 1 1 50 50 SER CB C 50 66.748 66.748 66.652 0.096 19699 1595 1 3 . 1 1 50 50 SER H H 50 8.066 8.066 8.437 -0.371 19699 1596 1 3 . 1 1 51 51 VAL N N 51 123.100 123.100 121.641 1.459 19699 1597 1 3 . 1 1 51 51 VAL C C 51 176.585 176.585 176.058 0.527 19699 1598 1 3 . 1 1 51 51 VAL CA C 51 63.214 63.214 63.051 0.163 19699 1599 1 3 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.387 -1.036 19699 1600 1 3 . 1 1 51 51 VAL H H 51 8.667 8.667 8.448 0.219 19699 1601 1 3 . 1 1 52 52 ASP N N 52 129.313 129.313 123.087 6.226 19699 1602 1 3 . 1 1 52 52 ASP C C 52 173.916 173.916 175.069 -1.153 19699 1603 1 3 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.290 2.452 19699 1604 1 3 . 1 1 52 52 ASP CB C 52 39.928 39.928 40.865 -0.937 19699 1605 1 3 . 1 1 52 52 ASP H H 52 9.402 9.402 8.717 0.685 19699 1606 1 3 . 1 1 53 53 VAL N N 53 118.437 118.437 118.278 0.159 19699 1607 1 3 . 1 1 53 53 VAL C C 53 175.402 175.402 174.120 1.282 19699 1608 1 3 . 1 1 53 53 VAL CA C 53 59.768 59.768 59.839 -0.071 19699 1609 1 3 . 1 1 53 53 VAL CB C 53 34.846 34.846 35.026 -0.180 19699 1610 1 3 . 1 1 53 53 VAL H H 53 7.080 7.080 7.335 -0.255 19699 1611 1 3 . 1 1 54 54 THR N N 54 115.972 115.972 119.023 -3.051 19699 1612 1 3 . 1 1 54 54 THR C C 54 174.081 174.081 174.200 -0.119 19699 1613 1 3 . 1 1 54 54 THR CA C 54 58.682 58.682 60.011 -1.329 19699 1614 1 3 . 1 1 54 54 THR CB C 54 70.590 70.590 71.936 -1.346 19699 1615 1 3 . 1 1 54 54 THR H H 54 9.682 9.682 8.974 0.708 19699 1616 1 3 . 1 1 55 55 SER N N 55 117.493 117.493 117.556 -0.063 19699 1617 1 3 . 1 1 55 55 SER C C 55 172.532 172.532 173.147 -0.615 19699 1618 1 3 . 1 1 55 55 SER CA C 55 58.440 58.440 58.668 -0.228 19699 1619 1 3 . 1 1 55 55 SER CB C 55 64.406 64.406 64.856 -0.450 19699 1620 1 3 . 1 1 55 55 SER H H 55 9.115 9.115 8.729 0.386 19699 1621 1 3 . 1 1 56 56 TYR N N 56 127.570 127.570 128.867 -1.297 19699 1622 1 3 . 1 1 56 56 TYR C C 56 173.235 173.235 174.004 -0.769 19699 1623 1 3 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.405 1.886 19699 1624 1 3 . 1 1 56 56 TYR CB C 56 40.634 40.634 41.155 -0.521 19699 1625 1 3 . 1 1 56 56 TYR H H 56 8.706 8.706 9.269 -0.563 19699 1626 1 3 . 1 1 57 57 TYR N N 57 126.921 126.921 126.296 0.625 19699 1627 1 3 . 1 1 57 57 TYR C C 57 175.189 175.189 174.430 0.759 19699 1628 1 3 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.089 -1.679 19699 1629 1 3 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.613 -2.070 19699 1630 1 3 . 1 1 57 57 TYR H H 57 9.160 9.160 9.100 0.060 19699 1631 1 3 . 1 1 58 58 GLU N N 58 114.689 114.689 121.146 -6.457 19699 1632 1 3 . 1 1 58 58 GLU C C 58 176.098 176.098 174.759 1.339 19699 1633 1 3 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.541 -0.220 19699 1634 1 3 . 1 1 58 58 GLU CB C 58 33.997 33.997 33.945 0.052 19699 1635 1 3 . 1 1 58 58 GLU H H 58 7.814 7.814 9.008 -1.194 19699 1636 1 3 . 1 1 59 59 SER N N 59 118.144 118.144 121.876 -3.732 19699 1637 1 3 . 1 1 59 59 SER C C 59 172.474 172.474 173.475 -1.001 19699 1638 1 3 . 1 1 59 59 SER CA C 59 56.261 56.261 56.488 -0.227 19699 1639 1 3 . 1 1 59 59 SER CB C 59 67.299 67.299 65.305 1.994 19699 1640 1 3 . 1 1 59 59 SER H H 59 9.059 9.059 8.989 0.070 19699 1641 1 3 . 1 1 60 60 SER N N 60 120.314 120.314 114.289 6.025 19699 1642 1 3 . 1 1 60 60 SER CA C 60 56.956 56.956 55.911 1.045 19699 1643 1 3 . 1 1 60 60 SER CB C 60 65.027 65.027 64.670 0.357 19699 1644 1 3 . 1 1 60 60 SER H H 60 9.489 9.489 8.465 1.024 19699 1645 1 3 . 1 1 61 61 PRO C C 61 175.753 175.753 176.435 -0.682 19699 1646 1 3 . 1 1 62 62 ASN N N 62 110.807 110.807 114.929 -4.122 19699 1647 1 3 . 1 1 62 62 ASN C C 62 174.630 174.630 174.056 0.574 19699 1648 1 3 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.049 -1.639 19699 1649 1 3 . 1 1 62 62 ASN CB C 62 39.956 39.956 39.913 0.043 19699 1650 1 3 . 1 1 62 62 ASN H H 62 7.693 7.693 7.789 -0.096 19699 1651 1 3 . 1 1 63 63 SER N N 63 115.903 115.903 115.728 0.175 19699 1652 1 3 . 1 1 63 63 SER C C 63 171.926 171.926 172.520 -0.594 19699 1653 1 3 . 1 1 63 63 SER CA C 63 57.927 57.927 58.023 -0.096 19699 1654 1 3 . 1 1 63 63 SER CB C 63 64.472 64.472 64.901 -0.429 19699 1655 1 3 . 1 1 63 63 SER H H 63 7.636 7.636 8.287 -0.651 19699 1656 1 3 . 1 1 64 64 GLU N N 64 128.229 128.229 123.541 4.688 19699 1657 1 3 . 1 1 64 64 GLU CA C 64 55.327 55.327 55.284 0.043 19699 1658 1 3 . 1 1 64 64 GLU CB C 64 25.436 25.436 28.907 -3.471 19699 1659 1 3 . 1 1 64 64 GLU H H 64 9.432 9.432 8.627 0.805 19699 1660 1 3 . 1 1 65 65 PRO C C 65 175.912 175.912 176.236 -0.324 19699 1661 1 3 . 1 1 66 66 ARG N N 66 125.093 125.093 123.932 1.161 19699 1662 1 3 . 1 1 66 66 ARG C C 66 175.221 175.221 175.326 -0.105 19699 1663 1 3 . 1 1 66 66 ARG CA C 66 53.753 53.753 54.051 -0.298 19699 1664 1 3 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.844 -2.672 19699 1665 1 3 . 1 1 66 66 ARG H H 66 8.054 8.054 8.681 -0.627 19699 1666 1 3 . 1 1 67 67 PHE N N 67 126.028 126.028 123.096 2.932 19699 1667 1 3 . 1 1 67 67 PHE C C 67 174.478 174.478 174.959 -0.481 19699 1668 1 3 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.105 -0.209 19699 1669 1 3 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.556 -0.501 19699 1670 1 3 . 1 1 67 67 PHE H H 67 9.078 9.078 8.841 0.237 19699 1671 1 3 . 1 1 68 68 LEU N N 68 127.080 127.080 129.158 -2.078 19699 1672 1 3 . 1 1 68 68 LEU C C 68 175.994 175.994 175.547 0.447 19699 1673 1 3 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.712 -0.840 19699 1674 1 3 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.827 0.948 19699 1675 1 3 . 1 1 68 68 LEU H H 68 8.477 8.477 8.480 -0.003 19699 1676 1 3 . 1 1 69 69 ARG N N 69 111.037 111.037 111.988 -0.951 19699 1677 1 3 . 1 1 69 69 ARG C C 69 172.738 172.738 173.546 -0.808 19699 1678 1 3 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.269 0.657 19699 1679 1 3 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.616 -2.887 19699 1680 1 3 . 1 1 69 69 ARG H H 69 6.560 6.560 7.148 -0.588 19699 1681 1 3 . 1 1 70 70 ALA N N 70 124.959 124.959 122.858 2.101 19699 1682 1 3 . 1 1 70 70 ALA C C 70 177.538 177.538 176.606 0.932 19699 1683 1 3 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.402 -0.247 19699 1684 1 3 . 1 1 70 70 ALA CB C 70 18.600 18.600 21.162 -2.562 19699 1685 1 3 . 1 1 70 70 ALA H H 70 8.749 8.749 8.666 0.083 19699 1686 1 3 . 1 1 71 71 ILE N N 71 120.318 120.318 123.033 -2.715 19699 1687 1 3 . 1 1 71 71 ILE C C 71 174.971 174.971 175.026 -0.055 19699 1688 1 3 . 1 1 71 71 ILE CA C 71 59.181 59.181 60.010 -0.829 19699 1689 1 3 . 1 1 71 71 ILE CB C 71 40.500 40.500 40.503 -0.003 19699 1690 1 3 . 1 1 71 71 ILE H H 71 8.532 8.532 8.427 0.105 19699 1691 1 3 . 1 1 72 72 LEU N N 72 124.858 124.858 127.849 -2.991 19699 1692 1 3 . 1 1 72 72 LEU C C 72 176.383 176.383 177.073 -0.690 19699 1693 1 3 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.060 1.085 19699 1694 1 3 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.156 -1.621 19699 1695 1 3 . 1 1 72 72 LEU H H 72 8.370 8.370 8.692 -0.322 19699 1696 1 3 . 1 1 73 73 ASN N N 73 118.206 118.206 119.357 -1.151 19699 1697 1 3 . 1 1 73 73 ASN C C 73 174.181 174.181 176.074 -1.893 19699 1698 1 3 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.634 -1.945 19699 1699 1 3 . 1 1 73 73 ASN CB C 73 36.110 36.110 38.348 -2.238 19699 1700 1 3 . 1 1 73 73 ASN H H 73 8.220 8.220 8.714 -0.494 19699 1701 1 3 . 1 1 74 74 PHE N N 74 123.331 123.331 119.108 4.223 19699 1702 1 3 . 1 1 74 74 PHE C C 74 176.458 176.458 175.586 0.872 19699 1703 1 3 . 1 1 74 74 PHE CA C 74 59.394 59.394 58.654 0.740 19699 1704 1 3 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.240 0.308 19699 1705 1 3 . 1 1 74 74 PHE H H 74 7.606 7.606 8.052 -0.446 19699 1706 1 3 . 1 1 75 75 THR N N 75 109.350 109.350 113.790 -4.440 19699 1707 1 3 . 1 1 75 75 THR H H 75 7.826 7.826 7.988 -0.162 19699 1708 1 3 . 1 1 76 76 PRO C C 76 176.832 176.832 176.860 -0.028 19699 1709 1 3 . 1 1 77 77 MET N N 77 122.265 122.265 115.199 7.066 19699 1710 1 3 . 1 1 77 77 MET C C 77 176.515 176.515 175.781 0.734 19699 1711 1 3 . 1 1 77 77 MET CA C 77 55.525 55.525 55.542 -0.017 19699 1712 1 3 . 1 1 77 77 MET CB C 77 30.039 30.039 31.877 -1.838 19699 1713 1 3 . 1 1 77 77 MET H H 77 8.404 8.404 8.314 0.090 19699 1714 1 3 . 1 1 78 78 HIS N N 78 123.575 123.575 118.876 4.699 19699 1715 1 3 . 1 1 78 78 HIS C C 78 175.951 175.951 175.268 0.683 19699 1716 1 3 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.590 -0.016 19699 1717 1 3 . 1 1 78 78 HIS CB C 78 29.895 29.895 29.201 0.694 19699 1718 1 3 . 1 1 78 78 HIS H H 78 8.469 8.469 7.763 0.706 19699 1719 1 3 . 1 1 80 80 LEU C C 80 177.711 177.711 176.400 1.311 19699 1720 1 3 . 1 1 81 81 ARG N N 81 119.707 119.707 121.237 -1.530 19699 1721 1 3 . 1 1 81 81 ARG C C 81 177.060 177.060 176.836 0.224 19699 1722 1 3 . 1 1 81 81 ARG H H 81 8.368 8.368 8.275 0.093 19699 1723 1 3 . 1 1 82 82 THR N N 82 114.163 114.163 116.533 -2.370 19699 1724 1 3 . 1 1 82 82 THR C C 82 174.712 174.712 174.515 0.197 19699 1725 1 3 . 1 1 82 82 THR CA C 82 62.533 62.533 62.348 0.185 19699 1726 1 3 . 1 1 82 82 THR H H 82 7.936 7.936 8.430 -0.494 19699 1727 1 3 . 1 1 83 83 LYS N N 83 121.875 121.875 123.082 -1.207 19699 1728 1 3 . 1 1 83 83 LYS C C 83 175.855 175.855 176.132 -0.277 19699 1729 1 3 . 1 1 83 83 LYS CA C 83 55.700 55.700 56.659 -0.959 19699 1730 1 3 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.206 -0.884 19699 1731 1 3 . 1 1 83 83 LYS H H 83 8.092 8.092 7.776 0.316 19699 1732 1 3 . 1 1 84 84 ASN N N 84 118.272 118.272 124.029 -5.757 19699 1733 1 3 . 1 1 84 84 ASN C C 84 176.216 176.216 174.520 1.696 19699 1734 1 3 . 1 1 84 84 ASN CA C 84 52.602 52.602 53.002 -0.400 19699 1735 1 3 . 1 1 84 84 ASN CB C 84 38.706 38.706 37.569 1.137 19699 1736 1 3 . 1 1 84 84 ASN H H 84 8.163 8.163 8.781 -0.618 19699 1737 1 3 . 1 1 85 85 LEU N N 85 123.394 123.394 123.488 -0.094 19699 1738 1 3 . 1 1 85 85 LEU C C 85 176.987 176.987 176.809 0.178 19699 1739 1 3 . 1 1 85 85 LEU CA C 85 54.266 54.266 53.961 0.305 19699 1740 1 3 . 1 1 85 85 LEU CB C 85 40.497 40.497 43.684 -3.188 19699 1741 1 3 . 1 1 85 85 LEU H H 85 8.382 8.382 7.970 0.412 19699 1742 1 3 . 1 1 86 86 LEU N N 86 122.330 122.330 121.658 0.672 19699 1743 1 3 . 1 1 86 86 LEU C C 86 175.867 175.867 176.385 -0.518 19699 1744 1 3 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.791 -0.176 19699 1745 1 3 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.129 0.359 19699 1746 1 3 . 1 1 86 86 LEU H H 86 8.350 8.350 8.624 -0.274 19699 1747 1 3 . 1 1 87 87 LYS N N 87 121.964 121.964 122.229 -0.265 19699 1748 1 3 . 1 1 87 87 LYS C C 87 179.215 179.215 178.011 1.204 19699 1749 1 3 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.465 -0.052 19699 1750 1 3 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.715 1.204 19699 1751 1 3 . 1 1 87 87 LYS H H 87 9.560 9.560 8.943 0.617 19699 1752 1 3 . 1 1 88 88 VAL N N 88 124.714 124.714 120.770 3.944 19699 1753 1 3 . 1 1 88 88 VAL C C 88 181.289 181.289 178.208 3.081 19699 1754 1 3 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.494 0.237 19699 1755 1 3 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.929 -1.833 19699 1756 1 3 . 1 1 88 88 VAL H H 88 8.331 8.331 9.028 -0.697 19699 1757 1 3 . 1 1 89 89 LYS N N 89 119.721 119.721 118.001 1.720 19699 1758 1 3 . 1 1 89 89 LYS C C 89 176.988 176.988 176.494 0.494 19699 1759 1 3 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.527 -3.794 19699 1760 1 3 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.690 -1.253 19699 1761 1 3 . 1 1 89 89 LYS H H 89 8.356 8.356 8.330 0.026 19699 1762 1 3 . 1 1 90 90 ASP N N 90 117.057 117.057 117.069 -0.012 19699 1763 1 3 . 1 1 90 90 ASP C C 90 174.938 174.938 176.083 -1.145 19699 1764 1 3 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.575 0.147 19699 1765 1 3 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.749 0.835 19699 1766 1 3 . 1 1 90 90 ASP H H 90 7.613 7.613 7.870 -0.257 19699 1767 1 3 . 1 1 91 91 GLY N N 91 104.457 104.457 105.901 -1.444 19699 1768 1 3 . 1 1 91 91 GLY C C 91 172.136 172.136 173.643 -1.507 19699 1769 1 3 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.217 -0.739 19699 1770 1 3 . 1 1 91 91 GLY H H 91 8.078 8.078 8.118 -0.040 19699 1771 1 3 . 1 1 92 92 PHE N N 92 117.903 117.903 120.089 -2.186 19699 1772 1 3 . 1 1 92 92 PHE C C 92 173.925 173.925 174.468 -0.543 19699 1773 1 3 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.559 0.214 19699 1774 1 3 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.772 1.811 19699 1775 1 3 . 1 1 92 92 PHE H H 92 7.038 7.038 7.742 -0.704 19699 1776 1 3 . 1 1 93 93 GLN N N 93 123.497 123.497 124.145 -0.648 19699 1777 1 3 . 1 1 93 93 GLN C C 93 173.550 173.550 173.862 -0.312 19699 1778 1 3 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.126 -0.374 19699 1779 1 3 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.989 0.905 19699 1780 1 3 . 1 1 93 93 GLN H H 93 8.716 8.716 8.567 0.149 19699 1781 1 3 . 1 1 94 94 VAL N N 94 130.740 130.740 129.117 1.623 19699 1782 1 3 . 1 1 94 94 VAL C C 94 176.502 176.502 175.142 1.360 19699 1783 1 3 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.341 0.190 19699 1784 1 3 . 1 1 94 94 VAL CB C 94 32.147 32.147 32.856 -0.709 19699 1785 1 3 . 1 1 94 94 VAL H H 94 9.180 9.180 8.695 0.485 19699 1786 1 3 . 1 1 95 95 ASP N N 95 128.925 128.925 128.254 0.671 19699 1787 1 3 . 1 1 95 95 ASP C C 95 175.655 175.655 175.670 -0.015 19699 1788 1 3 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.565 -0.263 19699 1789 1 3 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.743 -1.642 19699 1790 1 3 . 1 1 95 95 ASP H H 95 8.397 8.397 8.261 0.136 19699 1791 1 3 . 1 1 96 96 ASN N N 96 126.934 126.934 124.626 2.308 19699 1792 1 3 . 1 1 96 96 ASN C C 96 176.193 176.193 174.796 1.397 19699 1793 1 3 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.648 -0.946 19699 1794 1 3 . 1 1 96 96 ASN CB C 96 38.784 38.784 39.535 -0.751 19699 1795 1 3 . 1 1 96 96 ASN H H 96 8.367 8.367 8.722 -0.355 19699 1796 1 3 . 1 1 97 97 SER N N 97 117.606 117.606 114.424 3.182 19699 1797 1 3 . 1 1 97 97 SER C C 97 176.522 176.522 174.342 2.180 19699 1798 1 3 . 1 1 97 97 SER CA C 97 58.237 58.237 57.176 1.061 19699 1799 1 3 . 1 1 97 97 SER CB C 97 63.473 63.473 64.823 -1.350 19699 1800 1 3 . 1 1 97 97 SER H H 97 8.645 8.645 8.753 -0.108 19699 1801 1 3 . 1 1 98 98 THR N N 98 115.391 115.391 116.187 -0.796 19699 1802 1 3 . 1 1 98 98 THR C C 98 175.591 175.591 175.092 0.499 19699 1803 1 3 . 1 1 98 98 THR CA C 98 61.477 61.477 61.910 -0.433 19699 1804 1 3 . 1 1 98 98 THR CB C 98 68.670 68.670 68.902 -0.232 19699 1805 1 3 . 1 1 98 98 THR H H 98 8.722 8.722 8.789 -0.067 19699 1806 1 3 . 1 1 99 99 ASP N N 99 120.196 120.196 121.665 -1.469 19699 1807 1 3 . 1 1 99 99 ASP C C 99 176.485 176.485 177.240 -0.755 19699 1808 1 3 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.520 -1.343 19699 1809 1 3 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.308 0.948 19699 1810 1 3 . 1 1 99 99 ASP H H 99 8.326 8.326 8.221 0.105 19699 1811 1 3 . 1 1 100 100 ASN N N 100 118.377 118.377 118.633 -0.256 19699 1812 1 3 . 1 1 100 100 ASN C C 100 176.916 176.916 176.584 0.332 19699 1813 1 3 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.497 -1.729 19699 1814 1 3 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.058 -1.110 19699 1815 1 3 . 1 1 100 100 ASN H H 100 7.905 7.905 8.003 -0.098 19699 1816 1 3 . 1 1 101 101 GLY N N 101 110.470 110.470 104.644 5.826 19699 1817 1 3 . 1 1 101 101 GLY C C 101 173.824 173.824 174.889 -1.065 19699 1818 1 3 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.331 0.127 19699 1819 1 3 . 1 1 101 101 GLY H H 101 8.450 8.450 8.630 -0.180 19699 1820 1 3 . 1 1 102 102 ASN N N 102 121.816 121.816 119.318 2.498 19699 1821 1 3 . 1 1 102 102 ASN C C 102 174.402 174.402 174.951 -0.549 19699 1822 1 3 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.246 -0.800 19699 1823 1 3 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.849 1.645 19699 1824 1 3 . 1 1 102 102 ASN H H 102 8.707 8.707 8.450 0.257 19699 1825 1 3 . 1 1 103 103 GLY N N 103 108.784 108.784 107.266 1.518 19699 1826 1 3 . 1 1 103 103 GLY C C 103 174.814 174.814 173.809 1.005 19699 1827 1 3 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.721 1.486 19699 1828 1 3 . 1 1 103 103 GLY H H 103 7.977 7.977 7.888 0.089 19699 1829 1 3 . 1 1 104 104 GLY N N 104 114.736 114.736 113.065 1.671 19699 1830 1 3 . 1 1 104 104 GLY C C 104 174.470 174.470 174.648 -0.178 19699 1831 1 3 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.483 0.790 19699 1832 1 3 . 1 1 104 104 GLY H H 104 8.589 8.589 8.016 0.573 19699 1833 1 3 . 1 1 105 105 ASN N N 105 120.001 120.001 120.662 -0.661 19699 1834 1 3 . 1 1 105 105 ASN C C 105 171.914 171.914 173.244 -1.330 19699 1835 1 3 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.014 -0.962 19699 1836 1 3 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.681 -3.102 19699 1837 1 3 . 1 1 105 105 ASN H H 105 7.561 7.561 8.027 -0.466 19699 1838 1 3 . 1 1 106 106 LEU N N 106 122.396 122.396 122.974 -0.578 19699 1839 1 3 . 1 1 106 106 LEU C C 106 175.196 175.196 175.016 0.180 19699 1840 1 3 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.160 -0.202 19699 1841 1 3 . 1 1 106 106 LEU CB C 106 41.741 41.741 42.834 -1.093 19699 1842 1 3 . 1 1 106 106 LEU H H 106 7.775 7.775 7.676 0.099 19699 1843 1 3 . 1 1 107 107 TYR N N 107 123.722 123.722 126.705 -2.983 19699 1844 1 3 . 1 1 107 107 TYR C C 107 175.955 175.955 175.925 0.030 19699 1845 1 3 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.282 -1.403 19699 1846 1 3 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.032 0.530 19699 1847 1 3 . 1 1 107 107 TYR H H 107 9.210 9.210 9.116 0.094 19699 1848 1 3 . 1 1 108 108 VAL N N 108 121.472 121.472 123.548 -2.076 19699 1849 1 3 . 1 1 108 108 VAL C C 108 177.065 177.065 175.135 1.930 19699 1850 1 3 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.635 -0.600 19699 1851 1 3 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.002 -0.961 19699 1852 1 3 . 1 1 108 108 VAL H H 108 8.991 8.991 8.735 0.256 19699 1853 1 3 . 1 1 109 109 TYR N N 109 129.064 129.064 127.463 1.601 19699 1854 1 3 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.374 0.813 19699 1855 1 3 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.615 -1.392 19699 1856 1 3 . 1 1 109 109 TYR H H 109 9.242 9.242 8.230 1.012 19699 1857 1 3 . 1 1 110 110 PRO C C 110 176.067 176.067 177.129 -1.062 19699 1858 1 3 . 1 1 111 111 ASN N N 111 112.749 112.749 114.597 -1.848 19699 1859 1 3 . 1 1 111 111 ASN C C 111 175.296 175.296 175.142 0.154 19699 1860 1 3 . 1 1 111 111 ASN CA C 111 52.972 52.972 54.088 -1.116 19699 1861 1 3 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.033 -1.528 19699 1862 1 3 . 1 1 111 111 ASN H H 111 8.031 8.031 8.440 -0.409 19699 1863 1 3 . 1 1 112 112 ALA N N 112 124.990 124.990 122.733 2.257 19699 1864 1 3 . 1 1 112 112 ALA C C 112 178.295 178.295 177.129 1.166 19699 1865 1 3 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.921 0.290 19699 1866 1 3 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.593 -0.903 19699 1867 1 3 . 1 1 112 112 ALA H H 112 7.678 7.678 7.564 0.114 19699 1868 1 3 . 1 1 113 113 THR N N 113 116.898 116.898 116.642 0.256 19699 1869 1 3 . 1 1 113 113 THR C C 113 175.601 175.601 176.180 -0.579 19699 1870 1 3 . 1 1 113 113 THR CA C 113 63.391 63.391 63.133 0.258 19699 1871 1 3 . 1 1 113 113 THR CB C 113 69.220 69.220 69.790 -0.570 19699 1872 1 3 . 1 1 113 113 THR H H 113 8.530 8.530 8.157 0.373 19699 1873 1 3 . 1 1 114 114 THR N N 114 122.908 122.908 119.295 3.613 19699 1874 1 3 . 1 1 114 114 THR C C 114 175.178 175.178 176.779 -1.601 19699 1875 1 3 . 1 1 114 114 THR CA C 114 63.941 63.941 64.927 -0.986 19699 1876 1 3 . 1 1 114 114 THR CB C 114 68.628 68.628 68.435 0.193 19699 1877 1 3 . 1 1 114 114 THR H H 114 8.530 8.530 8.451 0.079 19699 1878 1 3 . 1 1 115 115 GLY N N 115 114.662 114.662 109.454 5.208 19699 1879 1 3 . 1 1 115 115 GLY C C 115 175.853 175.853 176.246 -0.393 19699 1880 1 3 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.523 -1.463 19699 1881 1 3 . 1 1 115 115 GLY H H 115 8.822 8.822 8.389 0.433 19699 1882 1 3 . 1 1 116 116 SER N N 116 118.029 118.029 118.227 -0.198 19699 1883 1 3 . 1 1 116 116 SER C C 116 176.740 176.740 177.123 -0.383 19699 1884 1 3 . 1 1 116 116 SER CA C 116 61.370 61.370 60.716 0.654 19699 1885 1 3 . 1 1 116 116 SER CB C 116 62.652 62.652 63.346 -0.694 19699 1886 1 3 . 1 1 116 116 SER H H 116 8.138 8.138 8.124 0.014 19699 1887 1 3 . 1 1 117 117 ALA N N 117 124.981 124.981 124.694 0.287 19699 1888 1 3 . 1 1 117 117 ALA C C 117 178.629 178.629 179.758 -1.129 19699 1889 1 3 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.157 -0.427 19699 1890 1 3 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.197 -0.904 19699 1891 1 3 . 1 1 117 117 ALA H H 117 8.787 8.787 8.237 0.550 19699 1892 1 3 . 1 1 118 118 ASP N N 118 115.338 115.338 116.392 -1.054 19699 1893 1 3 . 1 1 118 118 ASP C C 118 176.339 176.339 177.097 -0.758 19699 1894 1 3 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.199 -0.952 19699 1895 1 3 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.703 -0.449 19699 1896 1 3 . 1 1 118 118 ASP H H 118 7.937 7.937 8.198 -0.261 19699 1897 1 3 . 1 1 119 119 SER N N 119 115.239 115.239 113.751 1.488 19699 1898 1 3 . 1 1 119 119 SER C C 119 173.992 173.992 174.219 -0.227 19699 1899 1 3 . 1 1 119 119 SER CA C 119 57.490 57.490 57.416 0.074 19699 1900 1 3 . 1 1 119 119 SER CB C 119 64.406 64.406 63.455 0.951 19699 1901 1 3 . 1 1 119 119 SER H H 119 7.831 7.831 7.836 -0.005 19699 1902 1 3 . 1 1 120 120 VAL N N 120 124.259 124.259 124.487 -0.228 19699 1903 1 3 . 1 1 120 120 VAL C C 120 175.395 175.395 176.208 -0.813 19699 1904 1 3 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.800 -1.668 19699 1905 1 3 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.271 -0.979 19699 1906 1 3 . 1 1 120 120 VAL H H 120 7.360 7.360 7.373 -0.013 19699 1907 1 3 . 1 1 121 121 ARG N N 121 129.213 129.213 125.830 3.383 19699 1908 1 3 . 1 1 121 121 ARG C C 121 174.280 174.280 173.990 0.290 19699 1909 1 3 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.922 2.100 19699 1910 1 3 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.212 -0.909 19699 1911 1 3 . 1 1 121 121 ARG H H 121 9.752 9.752 9.177 0.575 19699 1912 1 3 . 1 1 122 122 CYS N N 122 119.036 119.036 123.257 -4.221 19699 1913 1 3 . 1 1 122 122 CYS C C 122 174.282 174.282 173.442 0.840 19699 1914 1 3 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.103 -2.294 19699 1915 1 3 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.898 18.365 19699 1916 1 3 . 1 1 122 122 CYS H H 122 8.568 8.568 8.798 -0.230 19699 1917 1 3 . 1 1 123 123 ARG N N 123 124.532 124.532 130.016 -5.484 19699 1918 1 3 . 1 1 123 123 ARG C C 123 175.100 175.100 174.246 0.854 19699 1919 1 3 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.121 0.037 19699 1920 1 3 . 1 1 123 123 ARG CB C 123 30.910 30.910 30.739 0.171 19699 1921 1 3 . 1 1 123 123 ARG H H 123 9.099 9.099 8.596 0.503 19699 1922 1 3 . 1 1 124 124 LEU N N 124 132.168 132.168 128.698 3.470 19699 1923 1 3 . 1 1 124 124 LEU C C 124 173.758 173.758 174.428 -0.670 19699 1924 1 3 . 1 1 124 124 LEU H H 124 10.076 10.076 9.021 1.055 19699 1925 1 3 . 1 1 125 125 ARG N N 125 128.271 128.271 129.312 -1.041 19699 1926 1 3 . 1 1 125 125 ARG C C 125 175.505 175.505 174.682 0.823 19699 1927 1 3 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.828 -1.227 19699 1928 1 3 . 1 1 125 125 ARG CB C 125 30.799 30.799 30.849 -0.050 19699 1929 1 3 . 1 1 125 125 ARG H H 125 9.086 9.086 8.536 0.550 19699 1930 1 3 . 1 1 126 126 MET N N 126 108.020 108.020 128.727 -20.707 19699 1931 1 3 . 1 1 126 126 MET C C 126 174.911 174.911 173.800 1.111 19699 1932 1 3 . 1 1 126 126 MET CA C 126 54.118 54.118 54.549 -0.431 19699 1933 1 3 . 1 1 126 126 MET CB C 126 33.459 33.459 34.457 -0.998 19699 1934 1 3 . 1 1 126 126 MET H H 126 9.003 9.003 9.000 0.003 19699 1935 1 3 . 1 1 127 127 CYS N N 127 126.794 126.794 127.057 -0.263 19699 1936 1 3 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.668 -3.483 19699 1937 1 3 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.033 20.229 19699 1938 1 3 . 1 1 127 127 CYS H H 127 8.849 8.849 8.747 0.102 19699 1939 1 3 . 1 1 128 128 PRO C C 128 174.880 174.880 175.292 -0.412 19699 1940 1 3 . 1 1 129 129 TRP N N 129 118.064 118.064 121.179 -3.115 19699 1941 1 3 . 1 1 129 129 TRP C C 129 173.252 173.252 175.816 -2.564 19699 1942 1 3 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.821 -0.485 19699 1943 1 3 . 1 1 129 129 TRP CB C 129 32.046 32.046 33.411 -1.365 19699 1944 1 3 . 1 1 129 129 TRP H H 129 7.775 7.775 8.754 -0.979 19699 1945 1 3 . 1 1 130 130 THR N N 130 112.900 112.900 112.553 0.347 19699 1946 1 3 . 1 1 130 130 THR C C 130 172.690 172.690 173.668 -0.978 19699 1947 1 3 . 1 1 130 130 THR CA C 130 58.923 58.923 60.135 -1.212 19699 1948 1 3 . 1 1 130 130 THR CB C 130 69.380 69.380 71.198 -1.818 19699 1949 1 3 . 1 1 130 130 THR H H 130 8.810 8.810 8.912 -0.102 19699 1950 1 3 . 1 1 131 131 SER N N 131 122.448 122.448 116.679 5.769 19699 1951 1 3 . 1 1 131 131 SER C C 131 174.399 174.399 174.029 0.370 19699 1952 1 3 . 1 1 131 131 SER CA C 131 58.582 58.582 58.134 0.448 19699 1953 1 3 . 1 1 131 131 SER CB C 131 63.356 63.356 63.839 -0.483 19699 1954 1 3 . 1 1 131 131 SER H H 131 8.898 8.898 8.775 0.123 19699 1955 1 3 . 1 1 132 132 ASN N N 132 124.196 124.196 122.410 1.786 19699 1956 1 3 . 1 1 132 132 ASN C C 132 175.577 175.577 175.953 -0.376 19699 1957 1 3 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.880 0.287 19699 1958 1 3 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.747 -0.676 19699 1959 1 3 . 1 1 132 132 ASN H H 132 8.785 8.785 7.566 1.219 19699 1960 1 3 . 1 1 133 133 SER N N 133 120.691 120.691 122.410 -1.719 19699 1961 1 3 . 1 1 133 133 SER C C 133 174.574 174.574 175.386 -0.812 19699 1962 1 3 . 1 1 133 133 SER CA C 133 59.820 59.820 59.889 -0.069 19699 1963 1 3 . 1 1 133 133 SER CB C 133 62.342 62.342 62.924 -0.582 19699 1964 1 3 . 1 1 133 133 SER H H 133 8.580 8.580 8.685 -0.105 19699 1965 1 3 . 1 1 134 134 LYS N N 134 119.450 119.450 120.309 -0.859 19699 1966 1 3 . 1 1 134 134 LYS C C 134 176.698 176.698 176.855 -0.157 19699 1967 1 3 . 1 1 134 134 LYS CA C 134 55.687 55.687 57.075 -1.388 19699 1968 1 3 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.568 -1.208 19699 1969 1 3 . 1 1 134 134 LYS H H 134 7.904 7.904 7.939 -0.035 19699 1970 1 3 . 1 1 135 135 MET N N 135 121.695 121.695 119.047 2.648 19699 1971 1 3 . 1 1 135 135 MET C C 135 175.354 175.354 176.394 -1.040 19699 1972 1 3 . 1 1 135 135 MET CA C 135 55.498 55.498 55.744 -0.246 19699 1973 1 3 . 1 1 135 135 MET CB C 135 33.295 33.295 33.505 -0.210 19699 1974 1 3 . 1 1 135 135 MET H H 135 7.343 7.343 7.598 -0.255 19699 1975 1 3 . 1 1 136 136 THR N N 136 114.220 114.220 112.976 1.244 19699 1976 1 3 . 1 1 136 136 THR C C 136 173.806 173.806 173.184 0.622 19699 1977 1 3 . 1 1 136 136 THR CA C 136 61.228 61.228 61.132 0.096 19699 1978 1 3 . 1 1 136 136 THR CB C 136 69.201 69.201 69.392 -0.192 19699 1979 1 3 . 1 1 136 136 THR H H 136 8.633 8.633 8.694 -0.061 19699 1980 1 3 . 1 1 137 137 ALA N N 137 125.205 125.205 122.354 2.851 19699 1981 1 3 . 1 1 137 137 ALA C C 137 173.600 173.600 174.600 -1.000 19699 1982 1 3 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.336 -0.494 19699 1983 1 3 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.109 -0.981 19699 1984 1 3 . 1 1 137 137 ALA H H 137 7.637 7.637 7.443 0.194 19699 1985 1 3 . 1 1 138 138 PRO C C 138 175.117 175.117 176.084 -0.967 19699 1986 1 3 . 1 1 139 139 ASP N N 139 121.528 121.528 122.580 -1.052 19699 1987 1 3 . 1 1 139 139 ASP C C 139 174.966 174.966 177.063 -2.097 19699 1988 1 3 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.017 -0.440 19699 1989 1 3 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.591 -0.848 19699 1990 1 3 . 1 1 139 139 ASP H H 139 7.299 7.299 8.098 -0.799 19699 1991 1 3 . 1 1 140 140 GLU N N 140 118.631 118.631 119.914 -1.283 19699 1992 1 3 . 1 1 140 140 GLU C C 140 178.914 178.914 178.443 0.471 19699 1993 1 3 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.633 -0.827 19699 1994 1 3 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.660 -1.142 19699 1995 1 3 . 1 1 140 140 GLU H H 140 8.524 8.524 8.677 -0.153 19699 1996 1 3 . 1 1 141 141 GLU N N 141 119.900 119.900 119.099 0.801 19699 1997 1 3 . 1 1 141 141 GLU C C 141 178.162 178.162 179.004 -0.842 19699 1998 1 3 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.371 -0.722 19699 1999 1 3 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.290 -0.883 19699 2000 1 3 . 1 1 141 141 GLU H H 141 8.116 8.116 8.478 -0.362 19699 2001 1 3 . 1 1 142 142 MET N N 142 121.303 121.303 118.774 2.529 19699 2002 1 3 . 1 1 142 142 MET C C 142 178.689 178.689 178.922 -0.233 19699 2003 1 3 . 1 1 142 142 MET CA C 142 59.370 59.370 59.447 -0.077 19699 2004 1 3 . 1 1 142 142 MET CB C 142 33.252 33.252 32.787 0.465 19699 2005 1 3 . 1 1 142 142 MET H H 142 7.989 7.989 8.960 -0.971 19699 2006 1 3 . 1 1 143 143 LEU N N 143 117.901 117.901 119.858 -1.957 19699 2007 1 3 . 1 1 143 143 LEU C C 143 180.619 180.619 178.538 2.081 19699 2008 1 3 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.704 0.109 19699 2009 1 3 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.322 -1.053 19699 2010 1 3 . 1 1 143 143 LEU H H 143 8.485 8.485 8.490 -0.005 19699 2011 1 3 . 1 1 144 144 ARG N N 144 120.175 120.175 117.541 2.634 19699 2012 1 3 . 1 1 144 144 ARG C C 144 180.648 180.648 178.891 1.757 19699 2013 1 3 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.744 -0.494 19699 2014 1 3 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.215 -1.290 19699 2015 1 3 . 1 1 144 144 ARG H H 144 7.900 7.900 8.242 -0.342 19699 2016 1 3 . 1 1 145 145 LYS N N 145 119.936 119.936 119.136 0.800 19699 2017 1 3 . 1 1 145 145 LYS C C 145 178.813 178.813 179.072 -0.259 19699 2018 1 3 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.256 -0.632 19699 2019 1 3 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.486 -0.423 19699 2020 1 3 . 1 1 145 145 LYS H H 145 7.850 7.850 8.073 -0.223 19699 2021 1 3 . 1 1 146 146 MET N N 146 115.986 115.986 116.974 -0.988 19699 2022 1 3 . 1 1 146 146 MET C C 146 176.094 176.094 176.431 -0.337 19699 2023 1 3 . 1 1 146 146 MET CA C 146 55.267 55.267 55.883 -0.616 19699 2024 1 3 . 1 1 146 146 MET CB C 146 32.898 32.898 32.683 0.215 19699 2025 1 3 . 1 1 146 146 MET H H 146 7.776 7.776 8.352 -0.576 19699 2026 1 3 . 1 1 147 147 SER N N 147 119.679 119.679 116.601 3.078 19699 2027 1 3 . 1 1 147 147 SER C C 147 175.114 175.114 176.250 -1.136 19699 2028 1 3 . 1 1 147 147 SER CA C 147 62.736 62.736 62.169 0.567 19699 2029 1 3 . 1 1 147 147 SER CB C 147 62.105 62.105 63.026 -0.921 19699 2030 1 3 . 1 1 147 147 SER H H 147 7.430 7.430 7.817 -0.387 19699 2031 1 3 . 1 1 148 148 GLU N N 148 117.968 117.968 121.674 -3.706 19699 2032 1 3 . 1 1 148 148 GLU C C 148 179.313 179.313 177.993 1.320 19699 2033 1 3 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.777 0.298 19699 2034 1 3 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.299 0.239 19699 2035 1 3 . 1 1 148 148 GLU H H 148 9.216 9.216 8.156 1.060 19699 2036 1 3 . 1 1 149 149 VAL N N 149 115.349 115.349 118.688 -3.339 19699 2037 1 3 . 1 1 149 149 VAL C C 149 176.790 176.790 177.710 -0.920 19699 2038 1 3 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.419 -0.555 19699 2039 1 3 . 1 1 149 149 VAL H H 149 7.325 7.325 7.516 -0.191 19699 2040 1 3 . 1 1 150 150 LEU N N 150 119.724 119.724 120.783 -1.059 19699 2041 1 3 . 1 1 150 150 LEU C C 150 178.010 178.010 177.730 0.280 19699 2042 1 3 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.346 -0.137 19699 2043 1 3 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.622 -2.196 19699 2044 1 3 . 1 1 150 150 LEU H H 150 7.387 7.387 8.544 -1.157 19699 2045 1 3 . 1 1 151 151 ASN N N 151 112.853 112.853 116.206 -3.353 19699 2046 1 3 . 1 1 151 151 ASN C C 151 176.682 176.682 174.468 2.214 19699 2047 1 3 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.308 -0.218 19699 2048 1 3 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.294 0.002 19699 2049 1 3 . 1 1 151 151 ASN H H 151 7.593 7.593 7.646 -0.053 19699 2050 1 3 . 1 1 152 152 LEU N N 152 122.057 122.057 122.099 -0.042 19699 2051 1 3 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.197 1.256 19699 2052 1 3 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.691 -2.102 19699 2053 1 3 . 1 1 152 152 LEU H H 152 7.193 7.193 7.333 -0.140 19699 2054 1 3 . 1 1 153 153 PRO C C 153 177.670 177.670 175.816 1.854 19699 2055 1 3 . 1 1 154 154 ASN N N 154 121.894 121.894 119.662 2.232 19699 2056 1 3 . 1 1 154 154 ASN C C 154 176.786 176.786 175.553 1.233 19699 2057 1 3 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.078 -0.321 19699 2058 1 3 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.681 -1.852 19699 2059 1 3 . 1 1 154 154 ASN H H 154 8.824 8.824 8.497 0.327 19699 2060 1 3 . 1 1 155 155 TYR N N 155 124.386 124.386 125.321 -0.935 19699 2061 1 3 . 1 1 155 155 TYR C C 155 173.048 173.048 174.249 -1.201 19699 2062 1 3 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.369 -2.646 19699 2063 1 3 . 1 1 155 155 TYR CB C 155 39.711 39.711 38.048 1.663 19699 2064 1 3 . 1 1 155 155 TYR H H 155 8.245 8.245 8.499 -0.254 19699 2065 1 4 . 1 1 2 2 HIS N N 2 122.591 122.591 119.759 2.832 19699 2066 1 4 . 1 1 2 2 HIS C C 2 174.514 174.514 174.552 -0.038 19699 2067 1 4 . 1 1 2 2 HIS CA C 2 54.301 54.301 54.838 -0.537 19699 2068 1 4 . 1 1 2 2 HIS CB C 2 28.454 28.454 32.268 -3.814 19699 2069 1 4 . 1 1 2 2 HIS H H 2 8.695 8.695 8.916 -0.221 19699 2070 1 4 . 1 1 3 3 SER N N 3 120.223 120.223 119.184 1.039 19699 2071 1 4 . 1 1 3 3 SER C C 3 175.623 175.623 175.029 0.594 19699 2072 1 4 . 1 1 3 3 SER CA C 3 58.703 58.703 58.684 0.020 19699 2073 1 4 . 1 1 3 3 SER CB C 3 63.275 63.275 63.784 -0.509 19699 2074 1 4 . 1 1 3 3 SER H H 3 8.797 8.797 9.088 -0.291 19699 2075 1 4 . 1 1 4 4 LEU N N 4 126.300 126.300 127.199 -0.899 19699 2076 1 4 . 1 1 4 4 LEU C C 4 175.677 175.677 176.370 -0.693 19699 2077 1 4 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.663 -0.614 19699 2078 1 4 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.529 0.078 19699 2079 1 4 . 1 1 4 4 LEU H H 4 8.332 8.332 8.627 -0.295 19699 2080 1 4 . 1 1 5 5 GLY N N 5 108.289 108.289 107.044 1.245 19699 2081 1 4 . 1 1 5 5 GLY C C 5 171.743 171.743 171.953 -0.210 19699 2082 1 4 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.193 -0.543 19699 2083 1 4 . 1 1 5 5 GLY H H 5 7.737 7.737 7.591 0.146 19699 2084 1 4 . 1 1 6 6 CYS N N 6 112.366 112.366 119.346 -6.980 19699 2085 1 4 . 1 1 6 6 CYS C C 6 172.715 172.715 173.942 -1.227 19699 2086 1 4 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.845 -3.121 19699 2087 1 4 . 1 1 6 6 CYS CB C 6 48.588 48.588 29.983 18.605 19699 2088 1 4 . 1 1 6 6 CYS H H 6 7.688 7.688 7.992 -0.304 19699 2089 1 4 . 1 1 7 7 TYR N N 7 122.399 122.399 120.165 2.234 19699 2090 1 4 . 1 1 7 7 TYR C C 7 174.024 174.024 174.437 -0.413 19699 2091 1 4 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.096 0.557 19699 2092 1 4 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.551 -2.029 19699 2093 1 4 . 1 1 7 7 TYR H H 7 8.733 8.733 9.049 -0.316 19699 2094 1 4 . 1 1 8 8 PHE N N 8 123.806 123.806 122.264 1.542 19699 2095 1 4 . 1 1 8 8 PHE C C 8 175.708 175.708 175.653 0.055 19699 2096 1 4 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.792 -0.084 19699 2097 1 4 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.871 -1.296 19699 2098 1 4 . 1 1 8 8 PHE H H 8 9.088 9.088 9.001 0.087 19699 2099 1 4 . 1 1 9 9 LYS N N 9 121.663 121.663 123.371 -1.708 19699 2100 1 4 . 1 1 9 9 LYS C C 9 176.024 176.024 175.554 0.470 19699 2101 1 4 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.920 -2.531 19699 2102 1 4 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.856 0.705 19699 2103 1 4 . 1 1 9 9 LYS H H 9 9.284 9.284 9.172 0.112 19699 2104 1 4 . 1 1 10 10 GLY N N 10 109.739 109.739 108.205 1.534 19699 2105 1 4 . 1 1 10 10 GLY C C 10 172.722 172.722 173.526 -0.804 19699 2106 1 4 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.898 0.304 19699 2107 1 4 . 1 1 10 10 GLY H H 10 8.755 8.755 8.686 0.069 19699 2108 1 4 . 1 1 11 11 ILE N N 11 122.761 122.761 124.057 -1.296 19699 2109 1 4 . 1 1 11 11 ILE C C 11 174.106 174.106 174.791 -0.685 19699 2110 1 4 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.215 -0.103 19699 2111 1 4 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.570 1.175 19699 2112 1 4 . 1 1 11 11 ILE H H 11 8.212 8.212 8.815 -0.603 19699 2113 1 4 . 1 1 12 12 ASN N N 12 127.675 127.675 126.652 1.023 19699 2114 1 4 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.332 -0.593 19699 2115 1 4 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.419 -0.834 19699 2116 1 4 . 1 1 12 12 ASN H H 12 9.050 9.050 8.769 0.281 19699 2117 1 4 . 1 1 13 13 PRO C C 13 176.450 176.450 176.481 -0.031 19699 2118 1 4 . 1 1 14 14 THR N N 14 115.695 115.695 118.217 -2.522 19699 2119 1 4 . 1 1 14 14 THR C C 14 173.172 173.172 173.777 -0.605 19699 2120 1 4 . 1 1 14 14 THR CA C 14 59.908 59.908 62.017 -2.110 19699 2121 1 4 . 1 1 14 14 THR CB C 14 70.727 70.727 71.046 -0.319 19699 2122 1 4 . 1 1 14 14 THR H H 14 9.320 9.320 8.416 0.904 19699 2123 1 4 . 1 1 15 15 LYS N N 15 123.952 123.952 128.353 -4.401 19699 2124 1 4 . 1 1 15 15 LYS C C 15 177.147 177.147 175.601 1.546 19699 2125 1 4 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.760 -0.074 19699 2126 1 4 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.373 -1.409 19699 2127 1 4 . 1 1 15 15 LYS H H 15 8.534 8.534 8.675 -0.141 19699 2128 1 4 . 1 1 16 16 VAL N N 16 129.976 129.976 127.775 2.201 19699 2129 1 4 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.647 0.297 19699 2130 1 4 . 1 1 16 16 VAL CB C 16 32.014 32.014 34.385 -2.371 19699 2131 1 4 . 1 1 16 16 VAL H H 16 8.836 8.836 8.823 0.013 19699 2132 1 4 . 1 1 17 17 PRO C C 17 176.397 176.397 176.000 0.397 19699 2133 1 4 . 1 1 18 18 SER N N 18 117.885 117.885 115.389 2.496 19699 2134 1 4 . 1 1 18 18 SER C C 18 174.516 174.516 175.115 -0.599 19699 2135 1 4 . 1 1 18 18 SER CA C 18 56.695 56.695 57.243 -0.548 19699 2136 1 4 . 1 1 18 18 SER CB C 18 64.232 64.232 64.427 -0.195 19699 2137 1 4 . 1 1 18 18 SER H H 18 8.303 8.303 7.885 0.418 19699 2138 1 4 . 1 1 19 19 SER N N 19 120.346 120.346 118.103 2.243 19699 2139 1 4 . 1 1 19 19 SER C C 19 173.829 173.829 174.860 -1.031 19699 2140 1 4 . 1 1 19 19 SER CA C 19 58.080 58.080 59.438 -1.358 19699 2141 1 4 . 1 1 19 19 SER CB C 19 62.659 62.659 63.170 -0.512 19699 2142 1 4 . 1 1 19 19 SER H H 19 8.679 8.679 8.559 0.120 19699 2143 1 4 . 1 1 20 20 ASP N N 20 126.377 126.377 124.201 2.176 19699 2144 1 4 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.644 -0.260 19699 2145 1 4 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.834 0.701 19699 2146 1 4 . 1 1 20 20 ASP H H 20 8.247 8.247 7.657 0.590 19699 2147 1 4 . 1 1 21 21 PRO C C 21 177.616 177.616 175.127 2.489 19699 2148 1 4 . 1 1 22 22 ARG N N 22 119.127 119.127 116.465 2.662 19699 2149 1 4 . 1 1 22 22 ARG C C 22 175.307 175.307 174.084 1.223 19699 2150 1 4 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.483 -0.069 19699 2151 1 4 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.659 -2.854 19699 2152 1 4 . 1 1 22 22 ARG H H 22 8.692 8.692 7.951 0.741 19699 2153 1 4 . 1 1 23 23 THR N N 23 120.270 120.270 111.756 8.514 19699 2154 1 4 . 1 1 23 23 THR C C 23 172.509 172.509 173.544 -1.035 19699 2155 1 4 . 1 1 23 23 THR CA C 23 63.089 63.089 59.411 3.678 19699 2156 1 4 . 1 1 23 23 THR CB C 23 69.254 69.254 71.879 -2.625 19699 2157 1 4 . 1 1 23 23 THR H H 23 8.265 8.265 8.348 -0.083 19699 2158 1 4 . 1 1 24 24 VAL N N 24 129.461 129.461 122.375 7.086 19699 2159 1 4 . 1 1 24 24 VAL C C 24 174.663 174.663 174.653 0.010 19699 2160 1 4 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.069 -0.085 19699 2161 1 4 . 1 1 24 24 VAL CB C 24 31.604 31.604 33.413 -1.809 19699 2162 1 4 . 1 1 24 24 VAL H H 24 8.992 8.992 8.468 0.524 19699 2163 1 4 . 1 1 25 25 LEU N N 25 126.449 126.449 129.213 -2.764 19699 2164 1 4 . 1 1 25 25 LEU C C 25 174.669 174.669 175.854 -1.185 19699 2165 1 4 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.333 -1.086 19699 2166 1 4 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.207 1.955 19699 2167 1 4 . 1 1 25 25 LEU H H 25 9.281 9.281 8.784 0.497 19699 2168 1 4 . 1 1 26 26 LYS N N 26 120.574 120.574 123.418 -2.844 19699 2169 1 4 . 1 1 26 26 LYS C C 26 175.637 175.637 175.276 0.361 19699 2170 1 4 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.303 -1.638 19699 2171 1 4 . 1 1 26 26 LYS CB C 26 36.820 36.820 34.456 2.364 19699 2172 1 4 . 1 1 26 26 LYS H H 26 8.832 8.832 8.744 0.088 19699 2173 1 4 . 1 1 27 27 CYS N N 27 126.079 126.079 126.920 -0.841 19699 2174 1 4 . 1 1 27 27 CYS C C 27 172.527 172.527 173.923 -1.396 19699 2175 1 4 . 1 1 27 27 CYS CA C 27 52.428 52.428 57.523 -5.095 19699 2176 1 4 . 1 1 27 27 CYS CB C 27 44.628 44.628 25.816 18.812 19699 2177 1 4 . 1 1 27 27 CYS H H 27 8.709 8.709 8.938 -0.229 19699 2178 1 4 . 1 1 28 28 THR N N 28 122.887 122.887 122.240 0.647 19699 2179 1 4 . 1 1 28 28 THR C C 28 172.844 172.844 173.608 -0.764 19699 2180 1 4 . 1 1 28 28 THR CA C 28 64.228 64.228 63.693 0.535 19699 2181 1 4 . 1 1 28 28 THR CB C 28 68.222 68.222 69.325 -1.103 19699 2182 1 4 . 1 1 28 28 THR H H 28 8.086 8.086 8.428 -0.342 19699 2183 1 4 . 1 1 29 29 LEU N N 29 127.761 127.761 128.881 -1.120 19699 2184 1 4 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.718 -1.357 19699 2185 1 4 . 1 1 29 29 LEU CB C 29 39.791 39.791 41.953 -2.162 19699 2186 1 4 . 1 1 29 29 LEU H H 29 8.452 8.452 8.122 0.330 19699 2187 1 4 . 1 1 30 30 PRO C C 30 174.451 174.451 175.913 -1.462 19699 2188 1 4 . 1 1 31 31 ASP N N 31 120.693 120.693 122.580 -1.887 19699 2189 1 4 . 1 1 31 31 ASP C C 31 175.442 175.442 175.210 0.232 19699 2190 1 4 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.824 -0.902 19699 2191 1 4 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.756 -1.511 19699 2192 1 4 . 1 1 31 31 ASP H H 31 8.380 8.380 8.514 -0.134 19699 2193 1 4 . 1 1 32 32 VAL N N 32 127.962 127.962 123.633 4.329 19699 2194 1 4 . 1 1 32 32 VAL C C 32 173.841 173.841 175.535 -1.694 19699 2195 1 4 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.533 -0.565 19699 2196 1 4 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.157 0.245 19699 2197 1 4 . 1 1 32 32 VAL H H 32 7.195 7.195 7.631 -0.436 19699 2198 1 4 . 1 1 33 33 LYS N N 33 127.967 127.967 129.993 -2.026 19699 2199 1 4 . 1 1 33 33 LYS C C 33 176.805 176.805 175.902 0.903 19699 2200 1 4 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.785 -1.027 19699 2201 1 4 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.289 -1.216 19699 2202 1 4 . 1 1 33 33 LYS H H 33 8.375 8.375 8.818 -0.443 19699 2203 1 4 . 1 1 34 34 VAL N N 34 110.772 110.772 116.392 -5.620 19699 2204 1 4 . 1 1 34 34 VAL C C 34 174.766 174.766 174.019 0.747 19699 2205 1 4 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.855 -1.916 19699 2206 1 4 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.667 -0.994 19699 2207 1 4 . 1 1 34 34 VAL H H 34 6.445 6.445 7.746 -1.301 19699 2208 1 4 . 1 1 35 35 ASN N N 35 123.757 123.757 120.397 3.360 19699 2209 1 4 . 1 1 35 35 ASN C C 35 173.218 173.218 173.557 -0.339 19699 2210 1 4 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.137 0.499 19699 2211 1 4 . 1 1 35 35 ASN CB C 35 36.128 36.128 35.721 0.407 19699 2212 1 4 . 1 1 35 35 ASN H H 35 8.723 8.723 8.412 0.311 19699 2213 1 4 . 1 1 36 36 ALA N N 36 124.355 124.355 124.975 -0.620 19699 2214 1 4 . 1 1 36 36 ALA C C 36 175.731 175.731 174.742 0.989 19699 2215 1 4 . 1 1 36 36 ALA H H 36 7.176 7.176 7.941 -0.765 19699 2216 1 4 . 1 1 37 37 SER N N 37 116.842 116.842 114.191 2.651 19699 2217 1 4 . 1 1 37 37 SER C C 37 173.137 173.137 172.869 0.268 19699 2218 1 4 . 1 1 37 37 SER CA C 37 56.592 56.592 55.889 0.703 19699 2219 1 4 . 1 1 37 37 SER CB C 37 65.760 65.760 65.589 0.171 19699 2220 1 4 . 1 1 37 37 SER H H 37 8.185 8.185 8.012 0.173 19699 2221 1 4 . 1 1 38 38 TRP N N 38 123.519 123.519 124.766 -1.247 19699 2222 1 4 . 1 1 38 38 TRP C C 38 174.100 174.100 176.264 -2.164 19699 2223 1 4 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.542 -0.708 19699 2224 1 4 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.730 -5.136 19699 2225 1 4 . 1 1 38 38 TRP H H 38 8.895 8.895 8.885 0.010 19699 2226 1 4 . 1 1 39 39 THR N N 39 120.476 120.476 119.733 0.743 19699 2227 1 4 . 1 1 39 39 THR C C 39 174.400 174.400 173.785 0.615 19699 2228 1 4 . 1 1 39 39 THR CA C 39 61.580 61.580 61.702 -0.122 19699 2229 1 4 . 1 1 39 39 THR CB C 39 70.182 70.182 70.344 -0.162 19699 2230 1 4 . 1 1 39 39 THR H H 39 9.073 9.073 9.113 -0.040 19699 2231 1 4 . 1 1 40 40 LEU N N 40 129.561 129.561 127.833 1.728 19699 2232 1 4 . 1 1 40 40 LEU C C 40 173.008 173.008 175.564 -2.556 19699 2233 1 4 . 1 1 40 40 LEU H H 40 10.036 10.036 9.119 0.917 19699 2234 1 4 . 1 1 41 41 GLU N N 41 126.217 126.217 122.839 3.378 19699 2235 1 4 . 1 1 41 41 GLU C C 41 174.208 174.208 174.969 -0.761 19699 2236 1 4 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.435 -1.284 19699 2237 1 4 . 1 1 41 41 GLU CB C 41 31.092 31.092 34.047 -2.955 19699 2238 1 4 . 1 1 41 41 GLU H H 41 8.504 8.504 8.341 0.163 19699 2239 1 4 . 1 1 42 42 TRP N N 42 131.942 131.942 127.040 4.902 19699 2240 1 4 . 1 1 42 42 TRP C C 42 174.332 174.332 175.958 -1.626 19699 2241 1 4 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.914 -1.830 19699 2242 1 4 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.552 -2.639 19699 2243 1 4 . 1 1 42 42 TRP H H 42 9.446 9.446 9.027 0.419 19699 2244 1 4 . 1 1 43 43 VAL N N 43 127.871 127.871 123.529 4.342 19699 2245 1 4 . 1 1 43 43 VAL C C 43 175.693 175.693 175.010 0.683 19699 2246 1 4 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.118 1.101 19699 2247 1 4 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.779 -3.325 19699 2248 1 4 . 1 1 43 43 VAL H H 43 9.065 9.065 9.388 -0.323 19699 2249 1 4 . 1 1 44 44 VAL N N 44 129.882 129.882 126.945 2.937 19699 2250 1 4 . 1 1 44 44 VAL C C 44 176.740 176.740 176.324 0.416 19699 2251 1 4 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.311 -0.136 19699 2252 1 4 . 1 1 44 44 VAL CB C 44 28.485 28.485 31.589 -3.104 19699 2253 1 4 . 1 1 44 44 VAL H H 44 8.895 8.895 9.058 -0.163 19699 2254 1 4 . 1 1 45 45 VAL N N 45 125.719 125.719 129.943 -4.224 19699 2255 1 4 . 1 1 45 45 VAL C C 45 179.320 179.320 176.545 2.775 19699 2256 1 4 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.896 0.966 19699 2257 1 4 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.056 -0.851 19699 2258 1 4 . 1 1 45 45 VAL H H 45 7.462 7.462 8.231 -0.769 19699 2259 1 4 . 1 1 46 46 ASN N N 46 114.964 114.964 116.924 -1.960 19699 2260 1 4 . 1 1 46 46 ASN C C 46 175.545 175.545 176.178 -0.633 19699 2261 1 4 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.470 -0.660 19699 2262 1 4 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.607 -2.530 19699 2263 1 4 . 1 1 46 46 ASN H H 46 8.550 8.550 7.738 0.812 19699 2264 1 4 . 1 1 47 47 LEU N N 47 117.360 117.360 115.880 1.480 19699 2265 1 4 . 1 1 47 47 LEU C C 47 175.920 175.920 176.347 -0.427 19699 2266 1 4 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.552 -1.286 19699 2267 1 4 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.325 -0.680 19699 2268 1 4 . 1 1 47 47 LEU H H 47 7.023 7.023 7.737 -0.714 19699 2269 1 4 . 1 1 48 48 HIS N N 48 116.042 116.042 115.353 0.689 19699 2270 1 4 . 1 1 48 48 HIS C C 48 172.021 172.021 174.110 -2.089 19699 2271 1 4 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.075 -1.481 19699 2272 1 4 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.767 -0.537 19699 2273 1 4 . 1 1 48 48 HIS H H 48 7.581 7.581 7.753 -0.172 19699 2274 1 4 . 1 1 49 49 THR N N 49 107.923 107.923 112.456 -4.533 19699 2275 1 4 . 1 1 49 49 THR C C 49 171.828 171.828 172.399 -0.571 19699 2276 1 4 . 1 1 49 49 THR CA C 49 58.493 58.493 61.360 -2.867 19699 2277 1 4 . 1 1 49 49 THR CB C 49 68.152 68.152 71.107 -2.955 19699 2278 1 4 . 1 1 49 49 THR H H 49 7.011 7.011 7.996 -0.985 19699 2279 1 4 . 1 1 50 50 SER N N 50 114.393 114.393 114.693 -0.300 19699 2280 1 4 . 1 1 50 50 SER C C 50 172.904 172.904 172.857 0.047 19699 2281 1 4 . 1 1 50 50 SER CA C 50 55.318 55.318 56.892 -1.574 19699 2282 1 4 . 1 1 50 50 SER CB C 50 66.748 66.748 66.311 0.437 19699 2283 1 4 . 1 1 50 50 SER H H 50 8.066 8.066 8.208 -0.142 19699 2284 1 4 . 1 1 51 51 VAL N N 51 123.100 123.100 119.637 3.463 19699 2285 1 4 . 1 1 51 51 VAL C C 51 176.585 176.585 176.083 0.502 19699 2286 1 4 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.348 0.866 19699 2287 1 4 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.877 -1.526 19699 2288 1 4 . 1 1 51 51 VAL H H 51 8.667 8.667 8.602 0.065 19699 2289 1 4 . 1 1 52 52 ASP N N 52 129.313 129.313 127.225 2.088 19699 2290 1 4 . 1 1 52 52 ASP C C 52 173.916 173.916 174.767 -0.851 19699 2291 1 4 . 1 1 52 52 ASP CA C 52 56.742 56.742 53.452 3.290 19699 2292 1 4 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.097 0.831 19699 2293 1 4 . 1 1 52 52 ASP H H 52 9.402 9.402 8.576 0.826 19699 2294 1 4 . 1 1 53 53 VAL N N 53 118.437 118.437 119.968 -1.531 19699 2295 1 4 . 1 1 53 53 VAL C C 53 175.402 175.402 174.267 1.135 19699 2296 1 4 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.088 -1.320 19699 2297 1 4 . 1 1 53 53 VAL CB C 53 34.846 34.846 36.382 -1.536 19699 2298 1 4 . 1 1 53 53 VAL H H 53 7.080 7.080 7.961 -0.881 19699 2299 1 4 . 1 1 54 54 THR N N 54 115.972 115.972 117.603 -1.631 19699 2300 1 4 . 1 1 54 54 THR C C 54 174.081 174.081 173.749 0.332 19699 2301 1 4 . 1 1 54 54 THR CA C 54 58.682 58.682 59.743 -1.061 19699 2302 1 4 . 1 1 54 54 THR CB C 54 70.590 70.590 70.967 -0.377 19699 2303 1 4 . 1 1 54 54 THR H H 54 9.682 9.682 9.066 0.616 19699 2304 1 4 . 1 1 55 55 SER N N 55 117.493 117.493 119.697 -2.204 19699 2305 1 4 . 1 1 55 55 SER C C 55 172.532 172.532 172.821 -0.289 19699 2306 1 4 . 1 1 55 55 SER CA C 55 58.440 58.440 56.852 1.588 19699 2307 1 4 . 1 1 55 55 SER CB C 55 64.406 64.406 65.014 -0.608 19699 2308 1 4 . 1 1 55 55 SER H H 55 9.115 9.115 8.487 0.628 19699 2309 1 4 . 1 1 56 56 TYR N N 56 127.570 127.570 126.659 0.911 19699 2310 1 4 . 1 1 56 56 TYR C C 56 173.235 173.235 175.376 -2.141 19699 2311 1 4 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.129 2.162 19699 2312 1 4 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.857 -0.223 19699 2313 1 4 . 1 1 56 56 TYR H H 56 8.706 8.706 9.412 -0.706 19699 2314 1 4 . 1 1 57 57 TYR N N 57 126.921 126.921 121.007 5.914 19699 2315 1 4 . 1 1 57 57 TYR C C 57 175.189 175.189 174.788 0.401 19699 2316 1 4 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.433 -2.023 19699 2317 1 4 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.678 -2.135 19699 2318 1 4 . 1 1 57 57 TYR H H 57 9.160 9.160 9.754 -0.594 19699 2319 1 4 . 1 1 58 58 GLU N N 58 114.689 114.689 120.612 -5.923 19699 2320 1 4 . 1 1 58 58 GLU C C 58 176.098 176.098 174.994 1.104 19699 2321 1 4 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.506 -0.185 19699 2322 1 4 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.169 -0.172 19699 2323 1 4 . 1 1 58 58 GLU H H 58 7.814 7.814 8.738 -0.924 19699 2324 1 4 . 1 1 59 59 SER N N 59 118.144 118.144 120.423 -2.279 19699 2325 1 4 . 1 1 59 59 SER C C 59 172.474 172.474 173.030 -0.556 19699 2326 1 4 . 1 1 59 59 SER CA C 59 56.261 56.261 56.522 -0.261 19699 2327 1 4 . 1 1 59 59 SER CB C 59 67.299 67.299 64.975 2.325 19699 2328 1 4 . 1 1 59 59 SER H H 59 9.059 9.059 8.595 0.464 19699 2329 1 4 . 1 1 60 60 SER N N 60 120.314 120.314 113.523 6.791 19699 2330 1 4 . 1 1 60 60 SER CA C 60 56.956 56.956 56.742 0.214 19699 2331 1 4 . 1 1 60 60 SER CB C 60 65.027 65.027 63.754 1.273 19699 2332 1 4 . 1 1 60 60 SER H H 60 9.489 9.489 8.657 0.832 19699 2333 1 4 . 1 1 61 61 PRO C C 61 175.753 175.753 176.650 -0.897 19699 2334 1 4 . 1 1 62 62 ASN N N 62 110.807 110.807 112.860 -2.053 19699 2335 1 4 . 1 1 62 62 ASN C C 62 174.630 174.630 174.987 -0.357 19699 2336 1 4 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.196 -1.786 19699 2337 1 4 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.378 -0.422 19699 2338 1 4 . 1 1 62 62 ASN H H 62 7.693 7.693 7.986 -0.293 19699 2339 1 4 . 1 1 63 63 SER N N 63 115.903 115.903 116.723 -0.820 19699 2340 1 4 . 1 1 63 63 SER C C 63 171.926 171.926 173.557 -1.631 19699 2341 1 4 . 1 1 63 63 SER CA C 63 57.927 57.927 57.218 0.709 19699 2342 1 4 . 1 1 63 63 SER CB C 63 64.472 64.472 64.798 -0.326 19699 2343 1 4 . 1 1 63 63 SER H H 63 7.636 7.636 8.252 -0.616 19699 2344 1 4 . 1 1 64 64 GLU N N 64 128.229 128.229 126.343 1.886 19699 2345 1 4 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.249 1.078 19699 2346 1 4 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.834 -4.397 19699 2347 1 4 . 1 1 64 64 GLU H H 64 9.432 9.432 8.640 0.792 19699 2348 1 4 . 1 1 65 65 PRO C C 65 175.912 175.912 175.997 -0.085 19699 2349 1 4 . 1 1 66 66 ARG N N 66 125.093 125.093 124.279 0.814 19699 2350 1 4 . 1 1 66 66 ARG C C 66 175.221 175.221 175.564 -0.343 19699 2351 1 4 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.341 0.412 19699 2352 1 4 . 1 1 66 66 ARG CB C 66 32.172 32.172 33.982 -1.810 19699 2353 1 4 . 1 1 66 66 ARG H H 66 8.054 8.054 8.546 -0.492 19699 2354 1 4 . 1 1 67 67 PHE N N 67 126.028 126.028 124.078 1.950 19699 2355 1 4 . 1 1 67 67 PHE C C 67 174.478 174.478 175.165 -0.687 19699 2356 1 4 . 1 1 67 67 PHE CA C 67 58.896 58.896 58.961 -0.065 19699 2357 1 4 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.985 -0.931 19699 2358 1 4 . 1 1 67 67 PHE H H 67 9.078 9.078 8.899 0.179 19699 2359 1 4 . 1 1 68 68 LEU N N 68 127.080 127.080 129.065 -1.985 19699 2360 1 4 . 1 1 68 68 LEU C C 68 175.994 175.994 175.223 0.771 19699 2361 1 4 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.830 -0.958 19699 2362 1 4 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.354 1.421 19699 2363 1 4 . 1 1 68 68 LEU H H 68 8.477 8.477 8.435 0.042 19699 2364 1 4 . 1 1 69 69 ARG N N 69 111.037 111.037 111.665 -0.628 19699 2365 1 4 . 1 1 69 69 ARG C C 69 172.738 172.738 173.388 -0.650 19699 2366 1 4 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.537 0.389 19699 2367 1 4 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.169 -2.440 19699 2368 1 4 . 1 1 69 69 ARG H H 69 6.560 6.560 7.132 -0.572 19699 2369 1 4 . 1 1 70 70 ALA N N 70 124.959 124.959 122.901 2.058 19699 2370 1 4 . 1 1 70 70 ALA C C 70 177.538 177.538 176.050 1.488 19699 2371 1 4 . 1 1 70 70 ALA CA C 70 50.155 50.155 51.002 -0.847 19699 2372 1 4 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.213 -3.613 19699 2373 1 4 . 1 1 70 70 ALA H H 70 8.749 8.749 8.438 0.311 19699 2374 1 4 . 1 1 71 71 ILE N N 71 120.318 120.318 122.588 -2.270 19699 2375 1 4 . 1 1 71 71 ILE C C 71 174.971 174.971 175.321 -0.350 19699 2376 1 4 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.921 -0.740 19699 2377 1 4 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.264 -1.764 19699 2378 1 4 . 1 1 71 71 ILE H H 71 8.532 8.532 9.235 -0.703 19699 2379 1 4 . 1 1 72 72 LEU N N 72 124.858 124.858 126.345 -1.487 19699 2380 1 4 . 1 1 72 72 LEU C C 72 176.383 176.383 177.159 -0.776 19699 2381 1 4 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.152 0.994 19699 2382 1 4 . 1 1 72 72 LEU CB C 72 40.535 40.535 41.845 -1.310 19699 2383 1 4 . 1 1 72 72 LEU H H 72 8.370 8.370 8.631 -0.261 19699 2384 1 4 . 1 1 73 73 ASN N N 73 118.206 118.206 121.299 -3.093 19699 2385 1 4 . 1 1 73 73 ASN C C 73 174.181 174.181 175.429 -1.248 19699 2386 1 4 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.182 -1.493 19699 2387 1 4 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.043 -0.933 19699 2388 1 4 . 1 1 73 73 ASN H H 73 8.220 8.220 8.364 -0.144 19699 2389 1 4 . 1 1 74 74 PHE N N 74 123.331 123.331 122.432 0.899 19699 2390 1 4 . 1 1 74 74 PHE C C 74 176.458 176.458 175.652 0.806 19699 2391 1 4 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.708 -0.313 19699 2392 1 4 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.566 -0.018 19699 2393 1 4 . 1 1 74 74 PHE H H 74 7.606 7.606 8.043 -0.437 19699 2394 1 4 . 1 1 75 75 THR N N 75 109.350 109.350 114.289 -4.939 19699 2395 1 4 . 1 1 75 75 THR H H 75 7.826 7.826 7.975 -0.149 19699 2396 1 4 . 1 1 76 76 PRO C C 76 176.832 176.832 177.415 -0.583 19699 2397 1 4 . 1 1 77 77 MET N N 77 122.265 122.265 115.774 6.491 19699 2398 1 4 . 1 1 77 77 MET C C 77 176.515 176.515 176.767 -0.252 19699 2399 1 4 . 1 1 77 77 MET CA C 77 55.525 55.525 56.005 -0.480 19699 2400 1 4 . 1 1 77 77 MET CB C 77 30.039 30.039 31.693 -1.654 19699 2401 1 4 . 1 1 77 77 MET H H 77 8.404 8.404 8.639 -0.235 19699 2402 1 4 . 1 1 78 78 HIS N N 78 123.575 123.575 118.914 4.661 19699 2403 1 4 . 1 1 78 78 HIS C C 78 175.951 175.951 175.747 0.204 19699 2404 1 4 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.205 0.369 19699 2405 1 4 . 1 1 78 78 HIS CB C 78 29.895 29.895 27.604 2.291 19699 2406 1 4 . 1 1 78 78 HIS H H 78 8.469 8.469 8.085 0.384 19699 2407 1 4 . 1 1 80 80 LEU C C 80 177.711 177.711 176.225 1.486 19699 2408 1 4 . 1 1 81 81 ARG N N 81 119.707 119.707 120.415 -0.708 19699 2409 1 4 . 1 1 81 81 ARG C C 81 177.060 177.060 175.922 1.138 19699 2410 1 4 . 1 1 81 81 ARG H H 81 8.368 8.368 8.740 -0.372 19699 2411 1 4 . 1 1 82 82 THR N N 82 114.163 114.163 112.264 1.899 19699 2412 1 4 . 1 1 82 82 THR C C 82 174.712 174.712 175.124 -0.412 19699 2413 1 4 . 1 1 82 82 THR CA C 82 62.533 62.533 61.910 0.623 19699 2414 1 4 . 1 1 82 82 THR H H 82 7.936 7.936 8.255 -0.319 19699 2415 1 4 . 1 1 83 83 LYS N N 83 121.875 121.875 122.885 -1.010 19699 2416 1 4 . 1 1 83 83 LYS C C 83 175.855 175.855 175.741 0.114 19699 2417 1 4 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.633 0.067 19699 2418 1 4 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.422 -1.100 19699 2419 1 4 . 1 1 83 83 LYS H H 83 8.092 8.092 7.827 0.265 19699 2420 1 4 . 1 1 84 84 ASN N N 84 118.272 118.272 119.055 -0.783 19699 2421 1 4 . 1 1 84 84 ASN C C 84 176.216 176.216 175.274 0.942 19699 2422 1 4 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.608 -0.006 19699 2423 1 4 . 1 1 84 84 ASN CB C 84 38.706 38.706 39.608 -0.902 19699 2424 1 4 . 1 1 84 84 ASN H H 84 8.163 8.163 8.559 -0.396 19699 2425 1 4 . 1 1 85 85 LEU N N 85 123.394 123.394 120.889 2.505 19699 2426 1 4 . 1 1 85 85 LEU C C 85 176.987 176.987 177.189 -0.202 19699 2427 1 4 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.097 0.169 19699 2428 1 4 . 1 1 85 85 LEU CB C 85 40.497 40.497 43.525 -3.028 19699 2429 1 4 . 1 1 85 85 LEU H H 85 8.382 8.382 8.277 0.105 19699 2430 1 4 . 1 1 86 86 LEU N N 86 122.330 122.330 122.084 0.246 19699 2431 1 4 . 1 1 86 86 LEU C C 86 175.867 175.867 176.686 -0.819 19699 2432 1 4 . 1 1 86 86 LEU CA C 86 54.615 54.615 55.358 -0.743 19699 2433 1 4 . 1 1 86 86 LEU CB C 86 42.488 42.488 41.470 1.018 19699 2434 1 4 . 1 1 86 86 LEU H H 86 8.350 8.350 8.503 -0.153 19699 2435 1 4 . 1 1 87 87 LYS N N 87 121.964 121.964 121.998 -0.034 19699 2436 1 4 . 1 1 87 87 LYS C C 87 179.215 179.215 177.808 1.407 19699 2437 1 4 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.670 -0.257 19699 2438 1 4 . 1 1 87 87 LYS CB C 87 35.919 35.919 35.550 0.369 19699 2439 1 4 . 1 1 87 87 LYS H H 87 9.560 9.560 8.803 0.757 19699 2440 1 4 . 1 1 88 88 VAL N N 88 124.714 124.714 122.050 2.664 19699 2441 1 4 . 1 1 88 88 VAL C C 88 181.289 181.289 177.341 3.948 19699 2442 1 4 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.118 0.613 19699 2443 1 4 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.844 -1.748 19699 2444 1 4 . 1 1 88 88 VAL H H 88 8.331 8.331 8.942 -0.611 19699 2445 1 4 . 1 1 89 89 LYS N N 89 119.721 119.721 117.387 2.334 19699 2446 1 4 . 1 1 89 89 LYS C C 89 176.988 176.988 176.536 0.452 19699 2447 1 4 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.820 -4.087 19699 2448 1 4 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.402 -0.965 19699 2449 1 4 . 1 1 89 89 LYS H H 89 8.356 8.356 8.246 0.110 19699 2450 1 4 . 1 1 90 90 ASP N N 90 117.057 117.057 117.352 -0.295 19699 2451 1 4 . 1 1 90 90 ASP C C 90 174.938 174.938 175.827 -0.889 19699 2452 1 4 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.349 0.373 19699 2453 1 4 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.939 0.646 19699 2454 1 4 . 1 1 90 90 ASP H H 90 7.613 7.613 7.981 -0.368 19699 2455 1 4 . 1 1 91 91 GLY N N 91 104.457 104.457 106.299 -1.842 19699 2456 1 4 . 1 1 91 91 GLY C C 91 172.136 172.136 173.579 -1.443 19699 2457 1 4 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.339 -0.861 19699 2458 1 4 . 1 1 91 91 GLY H H 91 8.078 8.078 7.980 0.098 19699 2459 1 4 . 1 1 92 92 PHE N N 92 117.903 117.903 119.587 -1.684 19699 2460 1 4 . 1 1 92 92 PHE C C 92 173.925 173.925 174.463 -0.538 19699 2461 1 4 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.730 0.043 19699 2462 1 4 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.885 1.698 19699 2463 1 4 . 1 1 92 92 PHE H H 92 7.038 7.038 7.683 -0.645 19699 2464 1 4 . 1 1 93 93 GLN N N 93 123.497 123.497 124.661 -1.164 19699 2465 1 4 . 1 1 93 93 GLN C C 93 173.550 173.550 174.261 -0.711 19699 2466 1 4 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.415 -0.664 19699 2467 1 4 . 1 1 93 93 GLN CB C 93 33.893 33.893 31.967 1.926 19699 2468 1 4 . 1 1 93 93 GLN H H 93 8.716 8.716 8.669 0.047 19699 2469 1 4 . 1 1 94 94 VAL N N 94 130.740 130.740 128.783 1.957 19699 2470 1 4 . 1 1 94 94 VAL C C 94 176.502 176.502 175.213 1.289 19699 2471 1 4 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.722 -0.192 19699 2472 1 4 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.023 -0.876 19699 2473 1 4 . 1 1 94 94 VAL H H 94 9.180 9.180 8.697 0.483 19699 2474 1 4 . 1 1 95 95 ASP N N 95 128.925 128.925 127.477 1.448 19699 2475 1 4 . 1 1 95 95 ASP C C 95 175.655 175.655 176.000 -0.345 19699 2476 1 4 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.482 -0.180 19699 2477 1 4 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.528 -1.427 19699 2478 1 4 . 1 1 95 95 ASP H H 95 8.397 8.397 8.710 -0.313 19699 2479 1 4 . 1 1 96 96 ASN N N 96 126.934 126.934 124.347 2.587 19699 2480 1 4 . 1 1 96 96 ASN C C 96 176.193 176.193 175.103 1.090 19699 2481 1 4 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.299 -0.597 19699 2482 1 4 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.458 0.326 19699 2483 1 4 . 1 1 96 96 ASN H H 96 8.367 8.367 8.545 -0.178 19699 2484 1 4 . 1 1 97 97 SER N N 97 117.606 117.606 115.883 1.723 19699 2485 1 4 . 1 1 97 97 SER C C 97 176.522 176.522 174.860 1.662 19699 2486 1 4 . 1 1 97 97 SER CA C 97 58.237 58.237 57.179 1.058 19699 2487 1 4 . 1 1 97 97 SER CB C 97 63.473 63.473 64.775 -1.302 19699 2488 1 4 . 1 1 97 97 SER H H 97 8.645 8.645 8.674 -0.029 19699 2489 1 4 . 1 1 98 98 THR N N 98 115.391 115.391 117.356 -1.965 19699 2490 1 4 . 1 1 98 98 THR C C 98 175.591 175.591 175.306 0.285 19699 2491 1 4 . 1 1 98 98 THR CA C 98 61.477 61.477 62.864 -1.387 19699 2492 1 4 . 1 1 98 98 THR CB C 98 68.670 68.670 68.855 -0.185 19699 2493 1 4 . 1 1 98 98 THR H H 98 8.722 8.722 8.880 -0.158 19699 2494 1 4 . 1 1 99 99 ASP N N 99 120.196 120.196 121.073 -0.877 19699 2495 1 4 . 1 1 99 99 ASP C C 99 176.485 176.485 177.314 -0.829 19699 2496 1 4 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.538 -1.361 19699 2497 1 4 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.273 0.983 19699 2498 1 4 . 1 1 99 99 ASP H H 99 8.326 8.326 8.141 0.185 19699 2499 1 4 . 1 1 100 100 ASN N N 100 118.377 118.377 118.141 0.236 19699 2500 1 4 . 1 1 100 100 ASN C C 100 176.916 176.916 176.644 0.272 19699 2501 1 4 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.480 -1.712 19699 2502 1 4 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.098 -1.150 19699 2503 1 4 . 1 1 100 100 ASN H H 100 7.905 7.905 8.023 -0.118 19699 2504 1 4 . 1 1 101 101 GLY N N 101 110.470 110.470 104.863 5.607 19699 2505 1 4 . 1 1 101 101 GLY C C 101 173.824 173.824 174.836 -1.012 19699 2506 1 4 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.342 0.116 19699 2507 1 4 . 1 1 101 101 GLY H H 101 8.450 8.450 8.679 -0.229 19699 2508 1 4 . 1 1 102 102 ASN N N 102 121.816 121.816 119.390 2.426 19699 2509 1 4 . 1 1 102 102 ASN C C 102 174.402 174.402 174.916 -0.514 19699 2510 1 4 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.406 -0.960 19699 2511 1 4 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.862 1.631 19699 2512 1 4 . 1 1 102 102 ASN H H 102 8.707 8.707 8.409 0.298 19699 2513 1 4 . 1 1 103 103 GLY N N 103 108.784 108.784 107.058 1.726 19699 2514 1 4 . 1 1 103 103 GLY C C 103 174.814 174.814 174.041 0.773 19699 2515 1 4 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.354 1.852 19699 2516 1 4 . 1 1 103 103 GLY H H 103 7.977 7.977 7.920 0.057 19699 2517 1 4 . 1 1 104 104 GLY N N 104 114.736 114.736 113.893 0.843 19699 2518 1 4 . 1 1 104 104 GLY C C 104 174.470 174.470 174.204 0.266 19699 2519 1 4 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.983 0.291 19699 2520 1 4 . 1 1 104 104 GLY H H 104 8.589 8.589 8.702 -0.113 19699 2521 1 4 . 1 1 105 105 ASN N N 105 120.001 120.001 119.827 0.174 19699 2522 1 4 . 1 1 105 105 ASN C C 105 171.914 171.914 173.113 -1.199 19699 2523 1 4 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.053 -1.001 19699 2524 1 4 . 1 1 105 105 ASN CB C 105 36.579 36.579 40.638 -4.059 19699 2525 1 4 . 1 1 105 105 ASN H H 105 7.561 7.561 8.136 -0.575 19699 2526 1 4 . 1 1 106 106 LEU N N 106 122.396 122.396 122.373 0.023 19699 2527 1 4 . 1 1 106 106 LEU C C 106 175.196 175.196 174.605 0.591 19699 2528 1 4 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.208 -0.251 19699 2529 1 4 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.158 -1.417 19699 2530 1 4 . 1 1 106 106 LEU H H 106 7.775 7.775 7.579 0.196 19699 2531 1 4 . 1 1 107 107 TYR N N 107 123.722 123.722 126.177 -2.455 19699 2532 1 4 . 1 1 107 107 TYR C C 107 175.955 175.955 175.810 0.145 19699 2533 1 4 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.036 -1.157 19699 2534 1 4 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.207 0.355 19699 2535 1 4 . 1 1 107 107 TYR H H 107 9.210 9.210 9.037 0.173 19699 2536 1 4 . 1 1 108 108 VAL N N 108 121.472 121.472 123.200 -1.728 19699 2537 1 4 . 1 1 108 108 VAL C C 108 177.065 177.065 174.998 2.067 19699 2538 1 4 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.563 -0.528 19699 2539 1 4 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.263 -1.222 19699 2540 1 4 . 1 1 108 108 VAL H H 108 8.991 8.991 8.750 0.241 19699 2541 1 4 . 1 1 109 109 TYR N N 109 129.064 129.064 127.031 2.033 19699 2542 1 4 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.280 0.907 19699 2543 1 4 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.670 -1.447 19699 2544 1 4 . 1 1 109 109 TYR H H 109 9.242 9.242 8.414 0.828 19699 2545 1 4 . 1 1 110 110 PRO C C 110 176.067 176.067 177.040 -0.973 19699 2546 1 4 . 1 1 111 111 ASN N N 111 112.749 112.749 114.506 -1.757 19699 2547 1 4 . 1 1 111 111 ASN C C 111 175.296 175.296 175.140 0.156 19699 2548 1 4 . 1 1 111 111 ASN CA C 111 52.972 52.972 54.045 -1.073 19699 2549 1 4 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.041 -1.536 19699 2550 1 4 . 1 1 111 111 ASN H H 111 8.031 8.031 8.447 -0.416 19699 2551 1 4 . 1 1 112 112 ALA N N 112 124.990 124.990 123.343 1.647 19699 2552 1 4 . 1 1 112 112 ALA C C 112 178.295 178.295 176.925 1.370 19699 2553 1 4 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.987 0.224 19699 2554 1 4 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.576 -0.886 19699 2555 1 4 . 1 1 112 112 ALA H H 112 7.678 7.678 7.566 0.112 19699 2556 1 4 . 1 1 113 113 THR N N 113 116.898 116.898 117.170 -0.272 19699 2557 1 4 . 1 1 113 113 THR C C 113 175.601 175.601 176.057 -0.456 19699 2558 1 4 . 1 1 113 113 THR CA C 113 63.391 63.391 63.219 0.172 19699 2559 1 4 . 1 1 113 113 THR CB C 113 69.220 69.220 69.778 -0.557 19699 2560 1 4 . 1 1 113 113 THR H H 113 8.530 8.530 8.366 0.164 19699 2561 1 4 . 1 1 114 114 THR N N 114 122.908 122.908 122.191 0.717 19699 2562 1 4 . 1 1 114 114 THR C C 114 175.178 175.178 176.920 -1.742 19699 2563 1 4 . 1 1 114 114 THR CA C 114 63.941 63.941 67.868 -3.927 19699 2564 1 4 . 1 1 114 114 THR CB C 114 68.628 68.628 68.850 -0.223 19699 2565 1 4 . 1 1 114 114 THR H H 114 8.530 8.530 8.629 -0.099 19699 2566 1 4 . 1 1 115 115 GLY N N 115 114.662 114.662 109.360 5.302 19699 2567 1 4 . 1 1 115 115 GLY C C 115 175.853 175.853 176.486 -0.633 19699 2568 1 4 . 1 1 115 115 GLY CA C 115 45.060 45.060 47.154 -2.094 19699 2569 1 4 . 1 1 115 115 GLY H H 115 8.822 8.822 8.363 0.459 19699 2570 1 4 . 1 1 116 116 SER N N 116 118.029 118.029 119.068 -1.039 19699 2571 1 4 . 1 1 116 116 SER C C 116 176.740 176.740 177.298 -0.558 19699 2572 1 4 . 1 1 116 116 SER CA C 116 61.370 61.370 61.030 0.340 19699 2573 1 4 . 1 1 116 116 SER CB C 116 62.652 62.652 63.206 -0.554 19699 2574 1 4 . 1 1 116 116 SER H H 116 8.138 8.138 8.247 -0.109 19699 2575 1 4 . 1 1 117 117 ALA N N 117 124.981 124.981 124.781 0.200 19699 2576 1 4 . 1 1 117 117 ALA C C 117 178.629 178.629 179.841 -1.212 19699 2577 1 4 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.133 -0.403 19699 2578 1 4 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.169 -0.876 19699 2579 1 4 . 1 1 117 117 ALA H H 117 8.787 8.787 8.272 0.515 19699 2580 1 4 . 1 1 118 118 ASP N N 118 115.338 115.338 116.621 -1.283 19699 2581 1 4 . 1 1 118 118 ASP C C 118 176.339 176.339 177.373 -1.034 19699 2582 1 4 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.481 -1.234 19699 2583 1 4 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.608 -0.354 19699 2584 1 4 . 1 1 118 118 ASP H H 118 7.937 7.937 8.172 -0.235 19699 2585 1 4 . 1 1 119 119 SER N N 119 115.239 115.239 113.975 1.264 19699 2586 1 4 . 1 1 119 119 SER C C 119 173.992 173.992 174.408 -0.416 19699 2587 1 4 . 1 1 119 119 SER CA C 119 57.490 57.490 58.239 -0.749 19699 2588 1 4 . 1 1 119 119 SER CB C 119 64.406 64.406 63.197 1.209 19699 2589 1 4 . 1 1 119 119 SER H H 119 7.831 7.831 7.548 0.283 19699 2590 1 4 . 1 1 120 120 VAL N N 120 124.259 124.259 125.022 -0.763 19699 2591 1 4 . 1 1 120 120 VAL C C 120 175.395 175.395 176.001 -0.606 19699 2592 1 4 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.842 -1.710 19699 2593 1 4 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.187 -0.895 19699 2594 1 4 . 1 1 120 120 VAL H H 120 7.360 7.360 7.310 0.050 19699 2595 1 4 . 1 1 121 121 ARG N N 121 129.213 129.213 124.774 4.439 19699 2596 1 4 . 1 1 121 121 ARG C C 121 174.280 174.280 174.051 0.229 19699 2597 1 4 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.660 2.363 19699 2598 1 4 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.463 -1.160 19699 2599 1 4 . 1 1 121 121 ARG H H 121 9.752 9.752 9.028 0.724 19699 2600 1 4 . 1 1 122 122 CYS N N 122 119.036 119.036 121.689 -2.653 19699 2601 1 4 . 1 1 122 122 CYS C C 122 174.282 174.282 173.324 0.958 19699 2602 1 4 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.291 -2.482 19699 2603 1 4 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.819 18.444 19699 2604 1 4 . 1 1 122 122 CYS H H 122 8.568 8.568 8.465 0.103 19699 2605 1 4 . 1 1 123 123 ARG N N 123 124.532 124.532 129.680 -5.148 19699 2606 1 4 . 1 1 123 123 ARG C C 123 175.100 175.100 174.234 0.866 19699 2607 1 4 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.346 -0.188 19699 2608 1 4 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.623 -1.713 19699 2609 1 4 . 1 1 123 123 ARG H H 123 9.099 9.099 8.558 0.541 19699 2610 1 4 . 1 1 124 124 LEU N N 124 132.168 132.168 127.814 4.354 19699 2611 1 4 . 1 1 124 124 LEU C C 124 173.758 173.758 174.546 -0.788 19699 2612 1 4 . 1 1 124 124 LEU H H 124 10.076 10.076 9.211 0.865 19699 2613 1 4 . 1 1 125 125 ARG N N 125 128.271 128.271 128.802 -0.531 19699 2614 1 4 . 1 1 125 125 ARG C C 125 175.505 175.505 174.547 0.958 19699 2615 1 4 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.126 -0.525 19699 2616 1 4 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.400 -1.601 19699 2617 1 4 . 1 1 125 125 ARG H H 125 9.086 9.086 9.202 -0.116 19699 2618 1 4 . 1 1 126 126 MET N N 126 108.020 108.020 128.386 -20.366 19699 2619 1 4 . 1 1 126 126 MET C C 126 174.911 174.911 174.043 0.868 19699 2620 1 4 . 1 1 126 126 MET CA C 126 54.118 54.118 54.931 -0.812 19699 2621 1 4 . 1 1 126 126 MET CB C 126 33.459 33.459 34.835 -1.376 19699 2622 1 4 . 1 1 126 126 MET H H 126 9.003 9.003 9.078 -0.075 19699 2623 1 4 . 1 1 127 127 CYS N N 127 126.794 126.794 127.119 -0.325 19699 2624 1 4 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.876 -3.691 19699 2625 1 4 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.276 19.986 19699 2626 1 4 . 1 1 127 127 CYS H H 127 8.849 8.849 9.000 -0.151 19699 2627 1 4 . 1 1 128 128 PRO C C 128 174.880 174.880 175.758 -0.878 19699 2628 1 4 . 1 1 129 129 TRP N N 129 118.064 118.064 117.768 0.296 19699 2629 1 4 . 1 1 129 129 TRP C C 129 173.252 173.252 174.205 -0.953 19699 2630 1 4 . 1 1 129 129 TRP CA C 129 55.336 55.336 54.864 0.472 19699 2631 1 4 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.689 -0.643 19699 2632 1 4 . 1 1 129 129 TRP H H 129 7.775 7.775 8.452 -0.677 19699 2633 1 4 . 1 1 130 130 THR N N 130 112.900 112.900 112.846 0.054 19699 2634 1 4 . 1 1 130 130 THR C C 130 172.690 172.690 174.143 -1.453 19699 2635 1 4 . 1 1 130 130 THR CA C 130 58.923 58.923 60.050 -1.127 19699 2636 1 4 . 1 1 130 130 THR CB C 130 69.380 69.380 70.714 -1.334 19699 2637 1 4 . 1 1 130 130 THR H H 130 8.810 8.810 8.656 0.154 19699 2638 1 4 . 1 1 131 131 SER N N 131 122.448 122.448 117.082 5.366 19699 2639 1 4 . 1 1 131 131 SER C C 131 174.399 174.399 174.391 0.008 19699 2640 1 4 . 1 1 131 131 SER CA C 131 58.582 58.582 58.069 0.513 19699 2641 1 4 . 1 1 131 131 SER CB C 131 63.356 63.356 63.780 -0.424 19699 2642 1 4 . 1 1 131 131 SER H H 131 8.898 8.898 8.742 0.156 19699 2643 1 4 . 1 1 132 132 ASN N N 132 124.196 124.196 122.098 2.098 19699 2644 1 4 . 1 1 132 132 ASN C C 132 175.577 175.577 176.418 -0.841 19699 2645 1 4 . 1 1 132 132 ASN CA C 132 52.167 52.167 52.143 0.024 19699 2646 1 4 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.626 -0.555 19699 2647 1 4 . 1 1 132 132 ASN H H 132 8.785 8.785 7.594 1.191 19699 2648 1 4 . 1 1 133 133 SER N N 133 120.691 120.691 122.669 -1.978 19699 2649 1 4 . 1 1 133 133 SER C C 133 174.574 174.574 175.267 -0.693 19699 2650 1 4 . 1 1 133 133 SER CA C 133 59.820 59.820 60.259 -0.439 19699 2651 1 4 . 1 1 133 133 SER CB C 133 62.342 62.342 62.624 -0.282 19699 2652 1 4 . 1 1 133 133 SER H H 133 8.580 8.580 8.707 -0.127 19699 2653 1 4 . 1 1 134 134 LYS N N 134 119.450 119.450 120.191 -0.741 19699 2654 1 4 . 1 1 134 134 LYS C C 134 176.698 176.698 175.393 1.305 19699 2655 1 4 . 1 1 134 134 LYS CA C 134 55.687 55.687 55.939 -0.252 19699 2656 1 4 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.881 -1.521 19699 2657 1 4 . 1 1 134 134 LYS H H 134 7.904 7.904 8.327 -0.423 19699 2658 1 4 . 1 1 135 135 MET N N 135 121.695 121.695 120.658 1.037 19699 2659 1 4 . 1 1 135 135 MET C C 135 175.354 175.354 175.137 0.217 19699 2660 1 4 . 1 1 135 135 MET CA C 135 55.498 55.498 55.319 0.179 19699 2661 1 4 . 1 1 135 135 MET CB C 135 33.295 33.295 33.860 -0.565 19699 2662 1 4 . 1 1 135 135 MET H H 135 7.343 7.343 7.557 -0.214 19699 2663 1 4 . 1 1 136 136 THR N N 136 114.220 114.220 115.795 -1.575 19699 2664 1 4 . 1 1 136 136 THR C C 136 173.806 173.806 173.252 0.554 19699 2665 1 4 . 1 1 136 136 THR CA C 136 61.228 61.228 61.253 -0.025 19699 2666 1 4 . 1 1 136 136 THR CB C 136 69.201 69.201 70.018 -0.817 19699 2667 1 4 . 1 1 136 136 THR H H 136 8.633 8.633 8.445 0.188 19699 2668 1 4 . 1 1 137 137 ALA N N 137 125.205 125.205 122.218 2.987 19699 2669 1 4 . 1 1 137 137 ALA C C 137 173.600 173.600 175.059 -1.459 19699 2670 1 4 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.121 -0.279 19699 2671 1 4 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.650 -1.522 19699 2672 1 4 . 1 1 137 137 ALA H H 137 7.637 7.637 7.375 0.262 19699 2673 1 4 . 1 1 138 138 PRO C C 138 175.117 175.117 175.833 -0.716 19699 2674 1 4 . 1 1 139 139 ASP N N 139 121.528 121.528 120.809 0.719 19699 2675 1 4 . 1 1 139 139 ASP C C 139 174.966 174.966 177.026 -2.060 19699 2676 1 4 . 1 1 139 139 ASP CA C 139 51.577 51.577 51.975 -0.398 19699 2677 1 4 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.401 -0.658 19699 2678 1 4 . 1 1 139 139 ASP H H 139 7.299 7.299 8.063 -0.764 19699 2679 1 4 . 1 1 140 140 GLU N N 140 118.631 118.631 119.842 -1.211 19699 2680 1 4 . 1 1 140 140 GLU C C 140 178.914 178.914 178.398 0.516 19699 2681 1 4 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.441 -0.635 19699 2682 1 4 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.678 -1.160 19699 2683 1 4 . 1 1 140 140 GLU H H 140 8.524 8.524 8.663 -0.139 19699 2684 1 4 . 1 1 141 141 GLU N N 141 119.900 119.900 119.182 0.718 19699 2685 1 4 . 1 1 141 141 GLU C C 141 178.162 178.162 178.984 -0.822 19699 2686 1 4 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.360 -0.711 19699 2687 1 4 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.273 -0.866 19699 2688 1 4 . 1 1 141 141 GLU H H 141 8.116 8.116 8.469 -0.353 19699 2689 1 4 . 1 1 142 142 MET N N 142 121.303 121.303 118.634 2.669 19699 2690 1 4 . 1 1 142 142 MET C C 142 178.689 178.689 178.906 -0.217 19699 2691 1 4 . 1 1 142 142 MET CA C 142 59.370 59.370 59.374 -0.004 19699 2692 1 4 . 1 1 142 142 MET CB C 142 33.252 33.252 32.745 0.507 19699 2693 1 4 . 1 1 142 142 MET H H 142 7.989 7.989 8.964 -0.975 19699 2694 1 4 . 1 1 143 143 LEU N N 143 117.901 117.901 119.418 -1.517 19699 2695 1 4 . 1 1 143 143 LEU C C 143 180.619 180.619 178.429 2.190 19699 2696 1 4 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.654 0.159 19699 2697 1 4 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.577 -1.308 19699 2698 1 4 . 1 1 143 143 LEU H H 143 8.485 8.485 8.302 0.183 19699 2699 1 4 . 1 1 144 144 ARG N N 144 120.175 120.175 117.046 3.129 19699 2700 1 4 . 1 1 144 144 ARG C C 144 180.648 180.648 178.839 1.809 19699 2701 1 4 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.580 -0.330 19699 2702 1 4 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.254 -1.329 19699 2703 1 4 . 1 1 144 144 ARG H H 144 7.900 7.900 8.236 -0.336 19699 2704 1 4 . 1 1 145 145 LYS N N 145 119.936 119.936 119.430 0.506 19699 2705 1 4 . 1 1 145 145 LYS C C 145 178.813 178.813 179.205 -0.392 19699 2706 1 4 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.307 -0.683 19699 2707 1 4 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.419 -0.356 19699 2708 1 4 . 1 1 145 145 LYS H H 145 7.850 7.850 8.028 -0.178 19699 2709 1 4 . 1 1 146 146 MET N N 146 115.986 115.986 117.559 -1.573 19699 2710 1 4 . 1 1 146 146 MET C C 146 176.094 176.094 176.665 -0.571 19699 2711 1 4 . 1 1 146 146 MET CA C 146 55.267 55.267 56.279 -1.012 19699 2712 1 4 . 1 1 146 146 MET CB C 146 32.898 32.898 32.471 0.427 19699 2713 1 4 . 1 1 146 146 MET H H 146 7.776 7.776 8.284 -0.508 19699 2714 1 4 . 1 1 147 147 SER N N 147 119.679 119.679 116.562 3.117 19699 2715 1 4 . 1 1 147 147 SER C C 147 175.114 175.114 176.163 -1.049 19699 2716 1 4 . 1 1 147 147 SER CA C 147 62.736 62.736 62.039 0.697 19699 2717 1 4 . 1 1 147 147 SER CB C 147 62.105 62.105 62.945 -0.840 19699 2718 1 4 . 1 1 147 147 SER H H 147 7.430 7.430 7.837 -0.407 19699 2719 1 4 . 1 1 148 148 GLU N N 148 117.968 117.968 121.789 -3.821 19699 2720 1 4 . 1 1 148 148 GLU C C 148 179.313 179.313 177.717 1.596 19699 2721 1 4 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.686 0.389 19699 2722 1 4 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.463 0.075 19699 2723 1 4 . 1 1 148 148 GLU H H 148 9.216 9.216 8.129 1.087 19699 2724 1 4 . 1 1 149 149 VAL N N 149 115.349 115.349 118.053 -2.704 19699 2725 1 4 . 1 1 149 149 VAL C C 149 176.790 176.790 177.880 -1.090 19699 2726 1 4 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.744 -0.880 19699 2727 1 4 . 1 1 149 149 VAL H H 149 7.325 7.325 7.673 -0.348 19699 2728 1 4 . 1 1 150 150 LEU N N 150 119.724 119.724 120.906 -1.182 19699 2729 1 4 . 1 1 150 150 LEU C C 150 178.010 178.010 178.164 -0.154 19699 2730 1 4 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.676 -0.467 19699 2731 1 4 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.400 -1.974 19699 2732 1 4 . 1 1 150 150 LEU H H 150 7.387 7.387 8.350 -0.963 19699 2733 1 4 . 1 1 151 151 ASN N N 151 112.853 112.853 115.094 -2.241 19699 2734 1 4 . 1 1 151 151 ASN C C 151 176.682 176.682 175.505 1.177 19699 2735 1 4 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.391 -0.301 19699 2736 1 4 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.553 -0.257 19699 2737 1 4 . 1 1 151 151 ASN H H 151 7.593 7.593 7.791 -0.198 19699 2738 1 4 . 1 1 152 152 LEU N N 152 122.057 122.057 122.412 -0.355 19699 2739 1 4 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.885 0.568 19699 2740 1 4 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.450 -1.861 19699 2741 1 4 . 1 1 152 152 LEU H H 152 7.193 7.193 7.632 -0.439 19699 2742 1 4 . 1 1 153 153 PRO C C 153 177.670 177.670 175.519 2.151 19699 2743 1 4 . 1 1 154 154 ASN N N 154 121.894 121.894 119.413 2.481 19699 2744 1 4 . 1 1 154 154 ASN C C 154 176.786 176.786 175.201 1.585 19699 2745 1 4 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.468 -0.711 19699 2746 1 4 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.415 -1.586 19699 2747 1 4 . 1 1 154 154 ASN H H 154 8.824 8.824 8.559 0.265 19699 2748 1 4 . 1 1 155 155 TYR N N 155 124.386 124.386 125.580 -1.194 19699 2749 1 4 . 1 1 155 155 TYR C C 155 173.048 173.048 173.659 -0.611 19699 2750 1 4 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.179 -2.456 19699 2751 1 4 . 1 1 155 155 TYR CB C 155 39.711 39.711 41.410 -1.699 19699 2752 1 4 . 1 1 155 155 TYR H H 155 8.245 8.245 8.519 -0.274 19699 2753 1 5 . 1 1 2 2 HIS N N 2 122.591 122.591 121.045 1.546 19699 2754 1 5 . 1 1 2 2 HIS C C 2 174.514 174.514 174.375 0.139 19699 2755 1 5 . 1 1 2 2 HIS CA C 2 54.301 54.301 54.868 -0.567 19699 2756 1 5 . 1 1 2 2 HIS CB C 2 28.454 28.454 31.983 -3.529 19699 2757 1 5 . 1 1 2 2 HIS H H 2 8.695 8.695 9.064 -0.369 19699 2758 1 5 . 1 1 3 3 SER N N 3 120.223 120.223 120.720 -0.497 19699 2759 1 5 . 1 1 3 3 SER C C 3 175.623 175.623 174.093 1.530 19699 2760 1 5 . 1 1 3 3 SER CA C 3 58.703 58.703 57.763 0.940 19699 2761 1 5 . 1 1 3 3 SER CB C 3 63.275 63.275 63.535 -0.260 19699 2762 1 5 . 1 1 3 3 SER H H 3 8.797 8.797 8.655 0.142 19699 2763 1 5 . 1 1 4 4 LEU N N 4 126.300 126.300 127.232 -0.932 19699 2764 1 5 . 1 1 4 4 LEU C C 4 175.677 175.677 176.279 -0.602 19699 2765 1 5 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.337 -0.289 19699 2766 1 5 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.094 0.513 19699 2767 1 5 . 1 1 4 4 LEU H H 4 8.332 8.332 7.807 0.525 19699 2768 1 5 . 1 1 5 5 GLY N N 5 108.289 108.289 107.482 0.807 19699 2769 1 5 . 1 1 5 5 GLY C C 5 171.743 171.743 171.608 0.135 19699 2770 1 5 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.149 -0.499 19699 2771 1 5 . 1 1 5 5 GLY H H 5 7.737 7.737 7.451 0.286 19699 2772 1 5 . 1 1 6 6 CYS N N 6 112.366 112.366 120.355 -7.989 19699 2773 1 5 . 1 1 6 6 CYS C C 6 172.715 172.715 172.760 -0.045 19699 2774 1 5 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.882 -3.158 19699 2775 1 5 . 1 1 6 6 CYS CB C 6 48.588 48.588 28.809 19.779 19699 2776 1 5 . 1 1 6 6 CYS H H 6 7.688 7.688 7.796 -0.108 19699 2777 1 5 . 1 1 7 7 TYR N N 7 122.399 122.399 123.465 -1.066 19699 2778 1 5 . 1 1 7 7 TYR C C 7 174.024 174.024 174.348 -0.324 19699 2779 1 5 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.002 0.651 19699 2780 1 5 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.366 -1.844 19699 2781 1 5 . 1 1 7 7 TYR H H 7 8.733 8.733 9.152 -0.419 19699 2782 1 5 . 1 1 8 8 PHE N N 8 123.806 123.806 121.131 2.675 19699 2783 1 5 . 1 1 8 8 PHE C C 8 175.708 175.708 175.565 0.143 19699 2784 1 5 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.831 -0.124 19699 2785 1 5 . 1 1 8 8 PHE CB C 8 39.575 39.575 41.309 -1.734 19699 2786 1 5 . 1 1 8 8 PHE H H 8 9.088 9.088 8.915 0.173 19699 2787 1 5 . 1 1 9 9 LYS N N 9 121.663 121.663 122.987 -1.324 19699 2788 1 5 . 1 1 9 9 LYS C C 9 176.024 176.024 175.241 0.783 19699 2789 1 5 . 1 1 9 9 LYS CA C 9 51.389 51.389 54.201 -2.812 19699 2790 1 5 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.354 1.207 19699 2791 1 5 . 1 1 9 9 LYS H H 9 9.284 9.284 9.213 0.071 19699 2792 1 5 . 1 1 10 10 GLY N N 10 109.739 109.739 108.562 1.177 19699 2793 1 5 . 1 1 10 10 GLY C C 10 172.722 172.722 173.655 -0.933 19699 2794 1 5 . 1 1 10 10 GLY CA C 10 44.202 44.202 44.119 0.083 19699 2795 1 5 . 1 1 10 10 GLY H H 10 8.755 8.755 8.556 0.199 19699 2796 1 5 . 1 1 11 11 ILE N N 11 122.761 122.761 124.838 -2.077 19699 2797 1 5 . 1 1 11 11 ILE C C 11 174.106 174.106 174.874 -0.768 19699 2798 1 5 . 1 1 11 11 ILE CA C 11 60.112 60.112 58.600 1.512 19699 2799 1 5 . 1 1 11 11 ILE CB C 11 42.745 42.745 39.931 2.814 19699 2800 1 5 . 1 1 11 11 ILE H H 11 8.212 8.212 8.633 -0.421 19699 2801 1 5 . 1 1 12 12 ASN N N 12 127.675 127.675 126.555 1.120 19699 2802 1 5 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.052 -0.313 19699 2803 1 5 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.916 -1.331 19699 2804 1 5 . 1 1 12 12 ASN H H 12 9.050 9.050 8.770 0.280 19699 2805 1 5 . 1 1 13 13 PRO C C 13 176.450 176.450 176.635 -0.185 19699 2806 1 5 . 1 1 14 14 THR N N 14 115.695 115.695 121.697 -6.002 19699 2807 1 5 . 1 1 14 14 THR C C 14 173.172 173.172 173.924 -0.752 19699 2808 1 5 . 1 1 14 14 THR CA C 14 59.908 59.908 61.854 -1.946 19699 2809 1 5 . 1 1 14 14 THR CB C 14 70.727 70.727 70.075 0.652 19699 2810 1 5 . 1 1 14 14 THR H H 14 9.320 9.320 8.771 0.549 19699 2811 1 5 . 1 1 15 15 LYS N N 15 123.952 123.952 128.305 -4.353 19699 2812 1 5 . 1 1 15 15 LYS C C 15 177.147 177.147 175.796 1.351 19699 2813 1 5 . 1 1 15 15 LYS CA C 15 55.686 55.686 56.840 -1.153 19699 2814 1 5 . 1 1 15 15 LYS CB C 15 31.964 31.964 32.659 -0.695 19699 2815 1 5 . 1 1 15 15 LYS H H 15 8.534 8.534 8.739 -0.205 19699 2816 1 5 . 1 1 16 16 VAL N N 16 129.976 129.976 126.337 3.639 19699 2817 1 5 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.797 0.147 19699 2818 1 5 . 1 1 16 16 VAL CB C 16 32.014 32.014 33.897 -1.883 19699 2819 1 5 . 1 1 16 16 VAL H H 16 8.836 8.836 8.679 0.157 19699 2820 1 5 . 1 1 17 17 PRO C C 17 176.397 176.397 176.123 0.274 19699 2821 1 5 . 1 1 18 18 SER N N 18 117.885 117.885 115.826 2.059 19699 2822 1 5 . 1 1 18 18 SER C C 18 174.516 174.516 175.060 -0.544 19699 2823 1 5 . 1 1 18 18 SER CA C 18 56.695 56.695 57.024 -0.329 19699 2824 1 5 . 1 1 18 18 SER CB C 18 64.232 64.232 64.323 -0.091 19699 2825 1 5 . 1 1 18 18 SER H H 18 8.303 8.303 7.910 0.393 19699 2826 1 5 . 1 1 19 19 SER N N 19 120.346 120.346 117.498 2.848 19699 2827 1 5 . 1 1 19 19 SER C C 19 173.829 173.829 174.553 -0.724 19699 2828 1 5 . 1 1 19 19 SER CA C 19 58.080 58.080 59.465 -1.385 19699 2829 1 5 . 1 1 19 19 SER CB C 19 62.659 62.659 63.243 -0.584 19699 2830 1 5 . 1 1 19 19 SER H H 19 8.679 8.679 8.516 0.163 19699 2831 1 5 . 1 1 20 20 ASP N N 20 126.377 126.377 124.316 2.061 19699 2832 1 5 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.508 -0.124 19699 2833 1 5 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.736 0.799 19699 2834 1 5 . 1 1 20 20 ASP H H 20 8.247 8.247 7.738 0.509 19699 2835 1 5 . 1 1 21 21 PRO C C 21 177.616 177.616 175.219 2.397 19699 2836 1 5 . 1 1 22 22 ARG N N 22 119.127 119.127 116.674 2.453 19699 2837 1 5 . 1 1 22 22 ARG C C 22 175.307 175.307 174.419 0.888 19699 2838 1 5 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.380 0.035 19699 2839 1 5 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.727 -2.921 19699 2840 1 5 . 1 1 22 22 ARG H H 22 8.692 8.692 7.886 0.806 19699 2841 1 5 . 1 1 23 23 THR N N 23 120.270 120.270 117.562 2.708 19699 2842 1 5 . 1 1 23 23 THR C C 23 172.509 172.509 173.966 -1.457 19699 2843 1 5 . 1 1 23 23 THR CA C 23 63.089 63.089 62.209 0.880 19699 2844 1 5 . 1 1 23 23 THR CB C 23 69.254 69.254 70.905 -1.651 19699 2845 1 5 . 1 1 23 23 THR H H 23 8.265 8.265 8.469 -0.204 19699 2846 1 5 . 1 1 24 24 VAL N N 24 129.461 129.461 127.088 2.373 19699 2847 1 5 . 1 1 24 24 VAL C C 24 174.663 174.663 174.442 0.221 19699 2848 1 5 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.835 -0.851 19699 2849 1 5 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.222 -0.619 19699 2850 1 5 . 1 1 24 24 VAL H H 24 8.992 8.992 8.502 0.490 19699 2851 1 5 . 1 1 25 25 LEU N N 25 126.449 126.449 129.354 -2.905 19699 2852 1 5 . 1 1 25 25 LEU C C 25 174.669 174.669 175.677 -1.008 19699 2853 1 5 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.382 -1.135 19699 2854 1 5 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.041 2.121 19699 2855 1 5 . 1 1 25 25 LEU H H 25 9.281 9.281 8.575 0.706 19699 2856 1 5 . 1 1 26 26 LYS N N 26 120.574 120.574 125.250 -4.676 19699 2857 1 5 . 1 1 26 26 LYS C C 26 175.637 175.637 175.054 0.583 19699 2858 1 5 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.161 -1.496 19699 2859 1 5 . 1 1 26 26 LYS CB C 26 36.820 36.820 34.490 2.330 19699 2860 1 5 . 1 1 26 26 LYS H H 26 8.832 8.832 8.651 0.181 19699 2861 1 5 . 1 1 27 27 CYS N N 27 126.079 126.079 128.026 -1.947 19699 2862 1 5 . 1 1 27 27 CYS C C 27 172.527 172.527 174.137 -1.610 19699 2863 1 5 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.231 -5.803 19699 2864 1 5 . 1 1 27 27 CYS CB C 27 44.628 44.628 27.079 17.549 19699 2865 1 5 . 1 1 27 27 CYS H H 27 8.709 8.709 8.902 -0.193 19699 2866 1 5 . 1 1 28 28 THR N N 28 122.887 122.887 123.097 -0.210 19699 2867 1 5 . 1 1 28 28 THR C C 28 172.844 172.844 173.251 -0.407 19699 2868 1 5 . 1 1 28 28 THR CA C 28 64.228 64.228 63.974 0.254 19699 2869 1 5 . 1 1 28 28 THR CB C 28 68.222 68.222 69.333 -1.111 19699 2870 1 5 . 1 1 28 28 THR H H 28 8.086 8.086 8.461 -0.375 19699 2871 1 5 . 1 1 29 29 LEU N N 29 127.761 127.761 128.792 -1.031 19699 2872 1 5 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.056 -0.695 19699 2873 1 5 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.757 -3.966 19699 2874 1 5 . 1 1 29 29 LEU H H 29 8.452 8.452 7.993 0.459 19699 2875 1 5 . 1 1 30 30 PRO C C 30 174.451 174.451 176.024 -1.573 19699 2876 1 5 . 1 1 31 31 ASP N N 31 120.693 120.693 123.655 -2.962 19699 2877 1 5 . 1 1 31 31 ASP C C 31 175.442 175.442 175.246 0.196 19699 2878 1 5 . 1 1 31 31 ASP CA C 31 52.922 52.922 54.022 -1.100 19699 2879 1 5 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.417 -1.172 19699 2880 1 5 . 1 1 31 31 ASP H H 31 8.380 8.380 8.539 -0.159 19699 2881 1 5 . 1 1 32 32 VAL N N 32 127.962 127.962 121.786 6.176 19699 2882 1 5 . 1 1 32 32 VAL C C 32 173.841 173.841 175.671 -1.830 19699 2883 1 5 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.977 -1.009 19699 2884 1 5 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.050 0.352 19699 2885 1 5 . 1 1 32 32 VAL H H 32 7.195 7.195 7.727 -0.532 19699 2886 1 5 . 1 1 33 33 LYS N N 33 127.967 127.967 129.509 -1.542 19699 2887 1 5 . 1 1 33 33 LYS C C 33 176.805 176.805 175.868 0.937 19699 2888 1 5 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.884 -1.126 19699 2889 1 5 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.130 -1.057 19699 2890 1 5 . 1 1 33 33 LYS H H 33 8.375 8.375 8.823 -0.448 19699 2891 1 5 . 1 1 34 34 VAL N N 34 110.772 110.772 115.635 -4.863 19699 2892 1 5 . 1 1 34 34 VAL C C 34 174.766 174.766 174.224 0.542 19699 2893 1 5 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.979 -2.040 19699 2894 1 5 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.414 -0.740 19699 2895 1 5 . 1 1 34 34 VAL H H 34 6.445 6.445 7.805 -1.360 19699 2896 1 5 . 1 1 35 35 ASN N N 35 123.757 123.757 121.271 2.486 19699 2897 1 5 . 1 1 35 35 ASN C C 35 173.218 173.218 174.229 -1.011 19699 2898 1 5 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.337 0.299 19699 2899 1 5 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.848 -0.720 19699 2900 1 5 . 1 1 35 35 ASN H H 35 8.723 8.723 8.794 -0.071 19699 2901 1 5 . 1 1 36 36 ALA N N 36 124.355 124.355 126.701 -2.346 19699 2902 1 5 . 1 1 36 36 ALA C C 36 175.731 175.731 174.891 0.840 19699 2903 1 5 . 1 1 36 36 ALA H H 36 7.176 7.176 8.036 -0.860 19699 2904 1 5 . 1 1 37 37 SER N N 37 116.842 116.842 113.841 3.001 19699 2905 1 5 . 1 1 37 37 SER C C 37 173.137 173.137 173.216 -0.079 19699 2906 1 5 . 1 1 37 37 SER CA C 37 56.592 56.592 56.571 0.021 19699 2907 1 5 . 1 1 37 37 SER CB C 37 65.760 65.760 66.600 -0.841 19699 2908 1 5 . 1 1 37 37 SER H H 37 8.185 8.185 8.012 0.173 19699 2909 1 5 . 1 1 38 38 TRP N N 38 123.519 123.519 120.416 3.103 19699 2910 1 5 . 1 1 38 38 TRP C C 38 174.100 174.100 176.257 -2.157 19699 2911 1 5 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.724 -0.890 19699 2912 1 5 . 1 1 38 38 TRP CB C 38 28.594 28.594 34.085 -5.491 19699 2913 1 5 . 1 1 38 38 TRP H H 38 8.895 8.895 8.981 -0.086 19699 2914 1 5 . 1 1 39 39 THR N N 39 120.476 120.476 119.205 1.271 19699 2915 1 5 . 1 1 39 39 THR C C 39 174.400 174.400 173.647 0.753 19699 2916 1 5 . 1 1 39 39 THR CA C 39 61.580 61.580 61.574 0.006 19699 2917 1 5 . 1 1 39 39 THR CB C 39 70.182 70.182 70.196 -0.014 19699 2918 1 5 . 1 1 39 39 THR H H 39 9.073 9.073 8.989 0.084 19699 2919 1 5 . 1 1 40 40 LEU N N 40 129.561 129.561 128.408 1.153 19699 2920 1 5 . 1 1 40 40 LEU C C 40 173.008 173.008 175.535 -2.527 19699 2921 1 5 . 1 1 40 40 LEU H H 40 10.036 10.036 9.261 0.775 19699 2922 1 5 . 1 1 41 41 GLU N N 41 126.217 126.217 124.022 2.195 19699 2923 1 5 . 1 1 41 41 GLU C C 41 174.208 174.208 175.129 -0.921 19699 2924 1 5 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.105 -0.954 19699 2925 1 5 . 1 1 41 41 GLU CB C 41 31.092 31.092 32.898 -1.806 19699 2926 1 5 . 1 1 41 41 GLU H H 41 8.504 8.504 8.339 0.165 19699 2927 1 5 . 1 1 42 42 TRP N N 42 131.942 131.942 127.379 4.563 19699 2928 1 5 . 1 1 42 42 TRP C C 42 174.332 174.332 175.892 -1.560 19699 2929 1 5 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.717 -1.633 19699 2930 1 5 . 1 1 42 42 TRP CB C 42 27.913 27.913 29.626 -1.713 19699 2931 1 5 . 1 1 42 42 TRP H H 42 9.446 9.446 9.114 0.332 19699 2932 1 5 . 1 1 43 43 VAL N N 43 127.871 127.871 124.259 3.612 19699 2933 1 5 . 1 1 43 43 VAL C C 43 175.693 175.693 175.029 0.664 19699 2934 1 5 . 1 1 43 43 VAL CA C 43 62.219 62.219 60.967 1.252 19699 2935 1 5 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.643 -3.189 19699 2936 1 5 . 1 1 43 43 VAL H H 43 9.065 9.065 9.166 -0.101 19699 2937 1 5 . 1 1 44 44 VAL N N 44 129.882 129.882 126.584 3.298 19699 2938 1 5 . 1 1 44 44 VAL C C 44 176.740 176.740 176.203 0.537 19699 2939 1 5 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.146 0.029 19699 2940 1 5 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.342 -3.857 19699 2941 1 5 . 1 1 44 44 VAL H H 44 8.895 8.895 8.893 0.002 19699 2942 1 5 . 1 1 45 45 VAL N N 45 125.719 125.719 129.296 -3.577 19699 2943 1 5 . 1 1 45 45 VAL C C 45 179.320 179.320 176.398 2.922 19699 2944 1 5 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.801 1.061 19699 2945 1 5 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.110 -0.905 19699 2946 1 5 . 1 1 45 45 VAL H H 45 7.462 7.462 8.057 -0.595 19699 2947 1 5 . 1 1 46 46 ASN N N 46 114.964 114.964 115.447 -0.483 19699 2948 1 5 . 1 1 46 46 ASN C C 46 175.545 175.545 176.184 -0.639 19699 2949 1 5 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.021 -0.211 19699 2950 1 5 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.673 -2.596 19699 2951 1 5 . 1 1 46 46 ASN H H 46 8.550 8.550 7.647 0.903 19699 2952 1 5 . 1 1 47 47 LEU N N 47 117.360 117.360 116.790 0.570 19699 2953 1 5 . 1 1 47 47 LEU C C 47 175.920 175.920 176.715 -0.795 19699 2954 1 5 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.815 -1.548 19699 2955 1 5 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.571 -0.926 19699 2956 1 5 . 1 1 47 47 LEU H H 47 7.023 7.023 7.608 -0.585 19699 2957 1 5 . 1 1 48 48 HIS N N 48 116.042 116.042 116.263 -0.221 19699 2958 1 5 . 1 1 48 48 HIS C C 48 172.021 172.021 173.948 -1.927 19699 2959 1 5 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.135 -1.541 19699 2960 1 5 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.582 -0.352 19699 2961 1 5 . 1 1 48 48 HIS H H 48 7.581 7.581 7.822 -0.241 19699 2962 1 5 . 1 1 49 49 THR N N 49 107.923 107.923 110.869 -2.946 19699 2963 1 5 . 1 1 49 49 THR C C 49 171.828 171.828 172.192 -0.364 19699 2964 1 5 . 1 1 49 49 THR CA C 49 58.493 58.493 61.122 -2.629 19699 2965 1 5 . 1 1 49 49 THR CB C 49 68.152 68.152 71.109 -2.957 19699 2966 1 5 . 1 1 49 49 THR H H 49 7.011 7.011 7.723 -0.712 19699 2967 1 5 . 1 1 50 50 SER N N 50 114.393 114.393 116.096 -1.703 19699 2968 1 5 . 1 1 50 50 SER C C 50 172.904 172.904 173.439 -0.535 19699 2969 1 5 . 1 1 50 50 SER CA C 50 55.318 55.318 56.342 -1.024 19699 2970 1 5 . 1 1 50 50 SER CB C 50 66.748 66.748 65.151 1.597 19699 2971 1 5 . 1 1 50 50 SER H H 50 8.066 8.066 8.434 -0.368 19699 2972 1 5 . 1 1 51 51 VAL N N 51 123.100 123.100 125.194 -2.094 19699 2973 1 5 . 1 1 51 51 VAL C C 51 176.585 176.585 176.128 0.457 19699 2974 1 5 . 1 1 51 51 VAL CA C 51 63.214 63.214 63.741 -0.527 19699 2975 1 5 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.309 -0.958 19699 2976 1 5 . 1 1 51 51 VAL H H 51 8.667 8.667 8.729 -0.062 19699 2977 1 5 . 1 1 52 52 ASP N N 52 129.313 129.313 123.102 6.211 19699 2978 1 5 . 1 1 52 52 ASP C C 52 173.916 173.916 175.541 -1.625 19699 2979 1 5 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.069 2.672 19699 2980 1 5 . 1 1 52 52 ASP CB C 52 39.928 39.928 40.777 -0.849 19699 2981 1 5 . 1 1 52 52 ASP H H 52 9.402 9.402 8.625 0.777 19699 2982 1 5 . 1 1 53 53 VAL N N 53 118.437 118.437 118.980 -0.543 19699 2983 1 5 . 1 1 53 53 VAL C C 53 175.402 175.402 174.939 0.463 19699 2984 1 5 . 1 1 53 53 VAL CA C 53 59.768 59.768 60.825 -1.057 19699 2985 1 5 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.827 0.019 19699 2986 1 5 . 1 1 53 53 VAL H H 53 7.080 7.080 7.444 -0.364 19699 2987 1 5 . 1 1 54 54 THR N N 54 115.972 115.972 117.325 -1.353 19699 2988 1 5 . 1 1 54 54 THR C C 54 174.081 174.081 174.039 0.042 19699 2989 1 5 . 1 1 54 54 THR CA C 54 58.682 58.682 59.770 -1.088 19699 2990 1 5 . 1 1 54 54 THR CB C 54 70.590 70.590 71.916 -1.327 19699 2991 1 5 . 1 1 54 54 THR H H 54 9.682 9.682 9.231 0.451 19699 2992 1 5 . 1 1 55 55 SER N N 55 117.493 117.493 118.365 -0.872 19699 2993 1 5 . 1 1 55 55 SER C C 55 172.532 172.532 173.416 -0.884 19699 2994 1 5 . 1 1 55 55 SER CA C 55 58.440 58.440 58.334 0.106 19699 2995 1 5 . 1 1 55 55 SER CB C 55 64.406 64.406 65.349 -0.943 19699 2996 1 5 . 1 1 55 55 SER H H 55 9.115 9.115 8.770 0.345 19699 2997 1 5 . 1 1 56 56 TYR N N 56 127.570 127.570 124.494 3.076 19699 2998 1 5 . 1 1 56 56 TYR C C 56 173.235 173.235 175.632 -2.397 19699 2999 1 5 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.664 1.627 19699 3000 1 5 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.627 0.007 19699 3001 1 5 . 1 1 56 56 TYR H H 56 8.706 8.706 9.219 -0.513 19699 3002 1 5 . 1 1 57 57 TYR N N 57 126.921 126.921 121.494 5.427 19699 3003 1 5 . 1 1 57 57 TYR C C 57 175.189 175.189 175.194 -0.005 19699 3004 1 5 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.507 -2.097 19699 3005 1 5 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.679 -2.136 19699 3006 1 5 . 1 1 57 57 TYR H H 57 9.160 9.160 9.749 -0.589 19699 3007 1 5 . 1 1 58 58 GLU N N 58 114.689 114.689 121.129 -6.440 19699 3008 1 5 . 1 1 58 58 GLU C C 58 176.098 176.098 174.857 1.241 19699 3009 1 5 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.536 -0.215 19699 3010 1 5 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.085 -0.088 19699 3011 1 5 . 1 1 58 58 GLU H H 58 7.814 7.814 8.967 -1.153 19699 3012 1 5 . 1 1 59 59 SER N N 59 118.144 118.144 120.814 -2.670 19699 3013 1 5 . 1 1 59 59 SER C C 59 172.474 172.474 173.165 -0.691 19699 3014 1 5 . 1 1 59 59 SER CA C 59 56.261 56.261 56.468 -0.207 19699 3015 1 5 . 1 1 59 59 SER CB C 59 67.299 67.299 64.945 2.354 19699 3016 1 5 . 1 1 59 59 SER H H 59 9.059 9.059 8.598 0.461 19699 3017 1 5 . 1 1 60 60 SER N N 60 120.314 120.314 114.298 6.016 19699 3018 1 5 . 1 1 60 60 SER CA C 60 56.956 56.956 56.472 0.484 19699 3019 1 5 . 1 1 60 60 SER CB C 60 65.027 65.027 63.854 1.173 19699 3020 1 5 . 1 1 60 60 SER H H 60 9.489 9.489 8.633 0.856 19699 3021 1 5 . 1 1 61 61 PRO C C 61 175.753 175.753 176.939 -1.186 19699 3022 1 5 . 1 1 62 62 ASN N N 62 110.807 110.807 111.660 -0.853 19699 3023 1 5 . 1 1 62 62 ASN C C 62 174.630 174.630 174.654 -0.024 19699 3024 1 5 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.507 -2.097 19699 3025 1 5 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.836 -0.880 19699 3026 1 5 . 1 1 62 62 ASN H H 62 7.693 7.693 7.961 -0.268 19699 3027 1 5 . 1 1 63 63 SER N N 63 115.903 115.903 116.098 -0.195 19699 3028 1 5 . 1 1 63 63 SER C C 63 171.926 171.926 173.618 -1.692 19699 3029 1 5 . 1 1 63 63 SER CA C 63 57.927 57.927 56.910 1.017 19699 3030 1 5 . 1 1 63 63 SER CB C 63 64.472 64.472 64.731 -0.259 19699 3031 1 5 . 1 1 63 63 SER H H 63 7.636 7.636 8.200 -0.564 19699 3032 1 5 . 1 1 64 64 GLU N N 64 128.229 128.229 125.748 2.481 19699 3033 1 5 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.496 0.831 19699 3034 1 5 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.942 -4.506 19699 3035 1 5 . 1 1 64 64 GLU H H 64 9.432 9.432 8.689 0.743 19699 3036 1 5 . 1 1 65 65 PRO C C 65 175.912 175.912 176.345 -0.433 19699 3037 1 5 . 1 1 66 66 ARG N N 66 125.093 125.093 123.677 1.416 19699 3038 1 5 . 1 1 66 66 ARG C C 66 175.221 175.221 174.830 0.391 19699 3039 1 5 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.647 0.106 19699 3040 1 5 . 1 1 66 66 ARG CB C 66 32.172 32.172 33.788 -1.616 19699 3041 1 5 . 1 1 66 66 ARG H H 66 8.054 8.054 8.731 -0.677 19699 3042 1 5 . 1 1 67 67 PHE N N 67 126.028 126.028 124.103 1.925 19699 3043 1 5 . 1 1 67 67 PHE C C 67 174.478 174.478 175.317 -0.839 19699 3044 1 5 . 1 1 67 67 PHE CA C 67 58.896 58.896 58.362 0.534 19699 3045 1 5 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.756 -0.702 19699 3046 1 5 . 1 1 67 67 PHE H H 67 9.078 9.078 8.791 0.287 19699 3047 1 5 . 1 1 68 68 LEU N N 68 127.080 127.080 129.128 -2.048 19699 3048 1 5 . 1 1 68 68 LEU C C 68 175.994 175.994 175.274 0.720 19699 3049 1 5 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.995 -1.123 19699 3050 1 5 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.187 1.588 19699 3051 1 5 . 1 1 68 68 LEU H H 68 8.477 8.477 8.402 0.075 19699 3052 1 5 . 1 1 69 69 ARG N N 69 111.037 111.037 111.138 -0.101 19699 3053 1 5 . 1 1 69 69 ARG C C 69 172.738 172.738 173.602 -0.864 19699 3054 1 5 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.515 0.411 19699 3055 1 5 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.127 -2.398 19699 3056 1 5 . 1 1 69 69 ARG H H 69 6.560 6.560 7.040 -0.480 19699 3057 1 5 . 1 1 70 70 ALA N N 70 124.959 124.959 123.828 1.131 19699 3058 1 5 . 1 1 70 70 ALA C C 70 177.538 177.538 176.646 0.892 19699 3059 1 5 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.849 -0.694 19699 3060 1 5 . 1 1 70 70 ALA CB C 70 18.600 18.600 20.998 -2.398 19699 3061 1 5 . 1 1 70 70 ALA H H 70 8.749 8.749 8.579 0.170 19699 3062 1 5 . 1 1 71 71 ILE N N 71 120.318 120.318 123.141 -2.823 19699 3063 1 5 . 1 1 71 71 ILE C C 71 174.971 174.971 175.194 -0.223 19699 3064 1 5 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.800 -0.619 19699 3065 1 5 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.087 -1.587 19699 3066 1 5 . 1 1 71 71 ILE H H 71 8.532 8.532 9.062 -0.530 19699 3067 1 5 . 1 1 72 72 LEU N N 72 124.858 124.858 125.800 -0.942 19699 3068 1 5 . 1 1 72 72 LEU C C 72 176.383 176.383 177.145 -0.762 19699 3069 1 5 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.135 1.011 19699 3070 1 5 . 1 1 72 72 LEU CB C 72 40.535 40.535 41.654 -1.119 19699 3071 1 5 . 1 1 72 72 LEU H H 72 8.370 8.370 8.450 -0.080 19699 3072 1 5 . 1 1 73 73 ASN N N 73 118.206 118.206 121.184 -2.978 19699 3073 1 5 . 1 1 73 73 ASN C C 73 174.181 174.181 175.172 -0.991 19699 3074 1 5 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.530 -1.841 19699 3075 1 5 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.030 -0.920 19699 3076 1 5 . 1 1 73 73 ASN H H 73 8.220 8.220 8.449 -0.229 19699 3077 1 5 . 1 1 74 74 PHE N N 74 123.331 123.331 121.831 1.500 19699 3078 1 5 . 1 1 74 74 PHE C C 74 176.458 176.458 176.140 0.318 19699 3079 1 5 . 1 1 74 74 PHE CA C 74 59.394 59.394 60.321 -0.927 19699 3080 1 5 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.373 0.175 19699 3081 1 5 . 1 1 74 74 PHE H H 74 7.606 7.606 8.023 -0.417 19699 3082 1 5 . 1 1 75 75 THR N N 75 109.350 109.350 110.960 -1.610 19699 3083 1 5 . 1 1 75 75 THR H H 75 7.826 7.826 7.866 -0.040 19699 3084 1 5 . 1 1 76 76 PRO C C 76 176.832 176.832 177.019 -0.187 19699 3085 1 5 . 1 1 77 77 MET N N 77 122.265 122.265 115.639 6.626 19699 3086 1 5 . 1 1 77 77 MET C C 77 176.515 176.515 176.603 -0.088 19699 3087 1 5 . 1 1 77 77 MET CA C 77 55.525 55.525 55.163 0.362 19699 3088 1 5 . 1 1 77 77 MET CB C 77 30.039 30.039 31.939 -1.901 19699 3089 1 5 . 1 1 77 77 MET H H 77 8.404 8.404 8.639 -0.235 19699 3090 1 5 . 1 1 78 78 HIS N N 78 123.575 123.575 119.580 3.995 19699 3091 1 5 . 1 1 78 78 HIS C C 78 175.951 175.951 175.818 0.133 19699 3092 1 5 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.229 0.345 19699 3093 1 5 . 1 1 78 78 HIS CB C 78 29.895 29.895 27.554 2.341 19699 3094 1 5 . 1 1 78 78 HIS H H 78 8.469 8.469 8.059 0.410 19699 3095 1 5 . 1 1 80 80 LEU C C 80 177.711 177.711 177.103 0.608 19699 3096 1 5 . 1 1 81 81 ARG N N 81 119.707 119.707 121.395 -1.688 19699 3097 1 5 . 1 1 81 81 ARG C C 81 177.060 177.060 176.181 0.879 19699 3098 1 5 . 1 1 81 81 ARG H H 81 8.368 8.368 8.366 0.002 19699 3099 1 5 . 1 1 82 82 THR N N 82 114.163 114.163 111.694 2.469 19699 3100 1 5 . 1 1 82 82 THR C C 82 174.712 174.712 174.693 0.019 19699 3101 1 5 . 1 1 82 82 THR CA C 82 62.533 62.533 62.883 -0.350 19699 3102 1 5 . 1 1 82 82 THR H H 82 7.936 7.936 8.411 -0.475 19699 3103 1 5 . 1 1 83 83 LYS N N 83 121.875 121.875 122.119 -0.244 19699 3104 1 5 . 1 1 83 83 LYS C C 83 175.855 175.855 175.753 0.102 19699 3105 1 5 . 1 1 83 83 LYS CA C 83 55.700 55.700 54.633 1.067 19699 3106 1 5 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.694 -1.372 19699 3107 1 5 . 1 1 83 83 LYS H H 83 8.092 8.092 8.022 0.070 19699 3108 1 5 . 1 1 84 84 ASN N N 84 118.272 118.272 119.865 -1.593 19699 3109 1 5 . 1 1 84 84 ASN C C 84 176.216 176.216 174.950 1.266 19699 3110 1 5 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.949 -0.347 19699 3111 1 5 . 1 1 84 84 ASN CB C 84 38.706 38.706 38.977 -0.271 19699 3112 1 5 . 1 1 84 84 ASN H H 84 8.163 8.163 8.499 -0.336 19699 3113 1 5 . 1 1 85 85 LEU N N 85 123.394 123.394 122.210 1.184 19699 3114 1 5 . 1 1 85 85 LEU C C 85 176.987 176.987 177.187 -0.200 19699 3115 1 5 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.457 -0.191 19699 3116 1 5 . 1 1 85 85 LEU CB C 85 40.497 40.497 43.013 -2.516 19699 3117 1 5 . 1 1 85 85 LEU H H 85 8.382 8.382 8.395 -0.013 19699 3118 1 5 . 1 1 86 86 LEU N N 86 122.330 122.330 122.606 -0.276 19699 3119 1 5 . 1 1 86 86 LEU C C 86 175.867 175.867 176.370 -0.503 19699 3120 1 5 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.719 -0.104 19699 3121 1 5 . 1 1 86 86 LEU CB C 86 42.488 42.488 41.715 0.773 19699 3122 1 5 . 1 1 86 86 LEU H H 86 8.350 8.350 8.347 0.003 19699 3123 1 5 . 1 1 87 87 LYS N N 87 121.964 121.964 122.957 -0.993 19699 3124 1 5 . 1 1 87 87 LYS C C 87 179.215 179.215 177.885 1.330 19699 3125 1 5 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.512 -0.099 19699 3126 1 5 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.596 1.323 19699 3127 1 5 . 1 1 87 87 LYS H H 87 9.560 9.560 8.676 0.884 19699 3128 1 5 . 1 1 88 88 VAL N N 88 124.714 124.714 120.810 3.904 19699 3129 1 5 . 1 1 88 88 VAL C C 88 181.289 181.289 178.194 3.095 19699 3130 1 5 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.464 0.267 19699 3131 1 5 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.922 -1.826 19699 3132 1 5 . 1 1 88 88 VAL H H 88 8.331 8.331 8.970 -0.639 19699 3133 1 5 . 1 1 89 89 LYS N N 89 119.721 119.721 118.084 1.637 19699 3134 1 5 . 1 1 89 89 LYS C C 89 176.988 176.988 176.448 0.540 19699 3135 1 5 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.545 -3.812 19699 3136 1 5 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.675 -1.238 19699 3137 1 5 . 1 1 89 89 LYS H H 89 8.356 8.356 8.328 0.028 19699 3138 1 5 . 1 1 90 90 ASP N N 90 117.057 117.057 117.096 -0.039 19699 3139 1 5 . 1 1 90 90 ASP C C 90 174.938 174.938 176.006 -1.068 19699 3140 1 5 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.460 0.262 19699 3141 1 5 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.771 0.814 19699 3142 1 5 . 1 1 90 90 ASP H H 90 7.613 7.613 7.802 -0.189 19699 3143 1 5 . 1 1 91 91 GLY N N 91 104.457 104.457 105.827 -1.370 19699 3144 1 5 . 1 1 91 91 GLY C C 91 172.136 172.136 173.502 -1.366 19699 3145 1 5 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.113 -0.635 19699 3146 1 5 . 1 1 91 91 GLY H H 91 8.078 8.078 8.125 -0.047 19699 3147 1 5 . 1 1 92 92 PHE N N 92 117.903 117.903 119.975 -2.072 19699 3148 1 5 . 1 1 92 92 PHE C C 92 173.925 173.925 174.317 -0.392 19699 3149 1 5 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.633 0.140 19699 3150 1 5 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.394 2.189 19699 3151 1 5 . 1 1 92 92 PHE H H 92 7.038 7.038 7.689 -0.651 19699 3152 1 5 . 1 1 93 93 GLN N N 93 123.497 123.497 123.968 -0.471 19699 3153 1 5 . 1 1 93 93 GLN C C 93 173.550 173.550 174.195 -0.645 19699 3154 1 5 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.086 -0.335 19699 3155 1 5 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.797 1.096 19699 3156 1 5 . 1 1 93 93 GLN H H 93 8.716 8.716 8.431 0.285 19699 3157 1 5 . 1 1 94 94 VAL N N 94 130.740 130.740 129.008 1.732 19699 3158 1 5 . 1 1 94 94 VAL C C 94 176.502 176.502 175.176 1.326 19699 3159 1 5 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.229 0.302 19699 3160 1 5 . 1 1 94 94 VAL CB C 94 32.147 32.147 32.938 -0.791 19699 3161 1 5 . 1 1 94 94 VAL H H 94 9.180 9.180 8.719 0.461 19699 3162 1 5 . 1 1 95 95 ASP N N 95 128.925 128.925 128.308 0.617 19699 3163 1 5 . 1 1 95 95 ASP C C 95 175.655 175.655 175.614 0.041 19699 3164 1 5 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.575 -0.273 19699 3165 1 5 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.852 -1.751 19699 3166 1 5 . 1 1 95 95 ASP H H 95 8.397 8.397 8.313 0.084 19699 3167 1 5 . 1 1 96 96 ASN N N 96 126.934 126.934 124.703 2.231 19699 3168 1 5 . 1 1 96 96 ASN C C 96 176.193 176.193 174.708 1.485 19699 3169 1 5 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.529 -0.827 19699 3170 1 5 . 1 1 96 96 ASN CB C 96 38.784 38.784 39.561 -0.777 19699 3171 1 5 . 1 1 96 96 ASN H H 96 8.367 8.367 8.730 -0.363 19699 3172 1 5 . 1 1 97 97 SER N N 97 117.606 117.606 114.687 2.919 19699 3173 1 5 . 1 1 97 97 SER C C 97 176.522 176.522 174.528 1.994 19699 3174 1 5 . 1 1 97 97 SER CA C 97 58.237 58.237 57.093 1.143 19699 3175 1 5 . 1 1 97 97 SER CB C 97 63.473 63.473 64.728 -1.254 19699 3176 1 5 . 1 1 97 97 SER H H 97 8.645 8.645 8.786 -0.141 19699 3177 1 5 . 1 1 98 98 THR N N 98 115.391 115.391 116.882 -1.491 19699 3178 1 5 . 1 1 98 98 THR C C 98 175.591 175.591 175.224 0.367 19699 3179 1 5 . 1 1 98 98 THR CA C 98 61.477 61.477 62.306 -0.829 19699 3180 1 5 . 1 1 98 98 THR CB C 98 68.670 68.670 68.842 -0.172 19699 3181 1 5 . 1 1 98 98 THR H H 98 8.722 8.722 8.850 -0.128 19699 3182 1 5 . 1 1 99 99 ASP N N 99 120.196 120.196 121.441 -1.245 19699 3183 1 5 . 1 1 99 99 ASP C C 99 176.485 176.485 177.274 -0.789 19699 3184 1 5 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.547 -1.370 19699 3185 1 5 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.252 1.004 19699 3186 1 5 . 1 1 99 99 ASP H H 99 8.326 8.326 8.193 0.133 19699 3187 1 5 . 1 1 100 100 ASN N N 100 118.377 118.377 118.343 0.034 19699 3188 1 5 . 1 1 100 100 ASN C C 100 176.916 176.916 176.596 0.320 19699 3189 1 5 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.452 -1.684 19699 3190 1 5 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.099 -1.151 19699 3191 1 5 . 1 1 100 100 ASN H H 100 7.905 7.905 8.020 -0.115 19699 3192 1 5 . 1 1 101 101 GLY N N 101 110.470 110.470 104.571 5.899 19699 3193 1 5 . 1 1 101 101 GLY C C 101 173.824 173.824 174.802 -0.978 19699 3194 1 5 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.330 0.128 19699 3195 1 5 . 1 1 101 101 GLY H H 101 8.450 8.450 8.627 -0.177 19699 3196 1 5 . 1 1 102 102 ASN N N 102 121.816 121.816 119.973 1.843 19699 3197 1 5 . 1 1 102 102 ASN C C 102 174.402 174.402 174.609 -0.207 19699 3198 1 5 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.194 -0.748 19699 3199 1 5 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.716 1.778 19699 3200 1 5 . 1 1 102 102 ASN H H 102 8.707 8.707 8.508 0.199 19699 3201 1 5 . 1 1 103 103 GLY N N 103 108.784 108.784 107.266 1.518 19699 3202 1 5 . 1 1 103 103 GLY C C 103 174.814 174.814 173.993 0.821 19699 3203 1 5 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.509 1.697 19699 3204 1 5 . 1 1 103 103 GLY H H 103 7.977 7.977 7.992 -0.015 19699 3205 1 5 . 1 1 104 104 GLY N N 104 114.736 114.736 113.907 0.829 19699 3206 1 5 . 1 1 104 104 GLY C C 104 174.470 174.470 174.603 -0.133 19699 3207 1 5 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.761 0.513 19699 3208 1 5 . 1 1 104 104 GLY H H 104 8.589 8.589 8.472 0.117 19699 3209 1 5 . 1 1 105 105 ASN N N 105 120.001 120.001 120.414 -0.413 19699 3210 1 5 . 1 1 105 105 ASN C C 105 171.914 171.914 173.054 -1.140 19699 3211 1 5 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.236 -1.184 19699 3212 1 5 . 1 1 105 105 ASN CB C 105 36.579 36.579 40.199 -3.620 19699 3213 1 5 . 1 1 105 105 ASN H H 105 7.561 7.561 8.106 -0.545 19699 3214 1 5 . 1 1 106 106 LEU N N 106 122.396 122.396 121.676 0.720 19699 3215 1 5 . 1 1 106 106 LEU C C 106 175.196 175.196 174.711 0.485 19699 3216 1 5 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.070 -0.113 19699 3217 1 5 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.384 -1.643 19699 3218 1 5 . 1 1 106 106 LEU H H 106 7.775 7.775 7.381 0.394 19699 3219 1 5 . 1 1 107 107 TYR N N 107 123.722 123.722 125.845 -2.123 19699 3220 1 5 . 1 1 107 107 TYR C C 107 175.955 175.955 175.851 0.104 19699 3221 1 5 . 1 1 107 107 TYR CA C 107 55.879 55.879 56.899 -1.020 19699 3222 1 5 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.308 0.254 19699 3223 1 5 . 1 1 107 107 TYR H H 107 9.210 9.210 9.064 0.146 19699 3224 1 5 . 1 1 108 108 VAL N N 108 121.472 121.472 123.814 -2.342 19699 3225 1 5 . 1 1 108 108 VAL C C 108 177.065 177.065 175.134 1.931 19699 3226 1 5 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.814 -0.779 19699 3227 1 5 . 1 1 108 108 VAL CB C 108 32.041 32.041 32.712 -0.671 19699 3228 1 5 . 1 1 108 108 VAL H H 108 8.991 8.991 8.702 0.289 19699 3229 1 5 . 1 1 109 109 TYR N N 109 129.064 129.064 127.833 1.231 19699 3230 1 5 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.642 0.545 19699 3231 1 5 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.386 -1.163 19699 3232 1 5 . 1 1 109 109 TYR H H 109 9.242 9.242 8.359 0.883 19699 3233 1 5 . 1 1 110 110 PRO C C 110 176.067 176.067 177.079 -1.012 19699 3234 1 5 . 1 1 111 111 ASN N N 111 112.749 112.749 114.459 -1.710 19699 3235 1 5 . 1 1 111 111 ASN C C 111 175.296 175.296 175.131 0.165 19699 3236 1 5 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.912 -0.940 19699 3237 1 5 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.014 -1.509 19699 3238 1 5 . 1 1 111 111 ASN H H 111 8.031 8.031 8.416 -0.385 19699 3239 1 5 . 1 1 112 112 ALA N N 112 124.990 124.990 122.594 2.396 19699 3240 1 5 . 1 1 112 112 ALA C C 112 178.295 178.295 177.060 1.235 19699 3241 1 5 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.820 0.391 19699 3242 1 5 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.373 -0.683 19699 3243 1 5 . 1 1 112 112 ALA H H 112 7.678 7.678 7.586 0.092 19699 3244 1 5 . 1 1 113 113 THR N N 113 116.898 116.898 115.958 0.940 19699 3245 1 5 . 1 1 113 113 THR C C 113 175.601 175.601 176.161 -0.560 19699 3246 1 5 . 1 1 113 113 THR CA C 113 63.391 63.391 62.993 0.398 19699 3247 1 5 . 1 1 113 113 THR CB C 113 69.220 69.220 69.825 -0.605 19699 3248 1 5 . 1 1 113 113 THR H H 113 8.530 8.530 8.161 0.369 19699 3249 1 5 . 1 1 114 114 THR N N 114 122.908 122.908 119.113 3.795 19699 3250 1 5 . 1 1 114 114 THR C C 114 175.178 175.178 176.760 -1.582 19699 3251 1 5 . 1 1 114 114 THR CA C 114 63.941 63.941 65.227 -1.286 19699 3252 1 5 . 1 1 114 114 THR CB C 114 68.628 68.628 68.593 0.035 19699 3253 1 5 . 1 1 114 114 THR H H 114 8.530 8.530 8.517 0.013 19699 3254 1 5 . 1 1 115 115 GLY N N 115 114.662 114.662 108.098 6.564 19699 3255 1 5 . 1 1 115 115 GLY C C 115 175.853 175.853 176.239 -0.386 19699 3256 1 5 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.784 -1.724 19699 3257 1 5 . 1 1 115 115 GLY H H 115 8.822 8.822 8.569 0.253 19699 3258 1 5 . 1 1 116 116 SER N N 116 118.029 118.029 118.496 -0.467 19699 3259 1 5 . 1 1 116 116 SER C C 116 176.740 176.740 176.230 0.510 19699 3260 1 5 . 1 1 116 116 SER CA C 116 61.370 61.370 60.736 0.634 19699 3261 1 5 . 1 1 116 116 SER CB C 116 62.652 62.652 62.920 -0.268 19699 3262 1 5 . 1 1 116 116 SER H H 116 8.138 8.138 7.865 0.273 19699 3263 1 5 . 1 1 117 117 ALA N N 117 124.981 124.981 124.968 0.013 19699 3264 1 5 . 1 1 117 117 ALA C C 117 178.629 178.629 178.788 -0.159 19699 3265 1 5 . 1 1 117 117 ALA CA C 117 54.730 54.730 54.802 -0.072 19699 3266 1 5 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.463 -1.170 19699 3267 1 5 . 1 1 117 117 ALA H H 117 8.787 8.787 7.604 1.183 19699 3268 1 5 . 1 1 118 118 ASP N N 118 115.338 115.338 116.693 -1.355 19699 3269 1 5 . 1 1 118 118 ASP C C 118 176.339 176.339 177.598 -1.259 19699 3270 1 5 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.061 -0.814 19699 3271 1 5 . 1 1 118 118 ASP CB C 118 40.254 40.254 41.724 -1.470 19699 3272 1 5 . 1 1 118 118 ASP H H 118 7.937 7.937 7.897 0.040 19699 3273 1 5 . 1 1 119 119 SER N N 119 115.239 115.239 114.345 0.894 19699 3274 1 5 . 1 1 119 119 SER C C 119 173.992 173.992 175.145 -1.153 19699 3275 1 5 . 1 1 119 119 SER CA C 119 57.490 57.490 59.057 -1.567 19699 3276 1 5 . 1 1 119 119 SER CB C 119 64.406 64.406 64.553 -0.147 19699 3277 1 5 . 1 1 119 119 SER H H 119 7.831 7.831 7.482 0.349 19699 3278 1 5 . 1 1 120 120 VAL N N 120 124.259 124.259 124.652 -0.393 19699 3279 1 5 . 1 1 120 120 VAL C C 120 175.395 175.395 175.056 0.339 19699 3280 1 5 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.196 -1.064 19699 3281 1 5 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.484 -1.192 19699 3282 1 5 . 1 1 120 120 VAL H H 120 7.360 7.360 7.767 -0.407 19699 3283 1 5 . 1 1 121 121 ARG N N 121 129.213 129.213 126.264 2.949 19699 3284 1 5 . 1 1 121 121 ARG C C 121 174.280 174.280 174.030 0.250 19699 3285 1 5 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.741 2.282 19699 3286 1 5 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.222 -0.919 19699 3287 1 5 . 1 1 121 121 ARG H H 121 9.752 9.752 8.862 0.890 19699 3288 1 5 . 1 1 122 122 CYS N N 122 119.036 119.036 122.513 -3.477 19699 3289 1 5 . 1 1 122 122 CYS C C 122 174.282 174.282 173.576 0.706 19699 3290 1 5 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.228 -2.419 19699 3291 1 5 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.191 19.073 19699 3292 1 5 . 1 1 122 122 CYS H H 122 8.568 8.568 8.428 0.140 19699 3293 1 5 . 1 1 123 123 ARG N N 123 124.532 124.532 130.059 -5.527 19699 3294 1 5 . 1 1 123 123 ARG C C 123 175.100 175.100 174.496 0.604 19699 3295 1 5 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.565 -0.407 19699 3296 1 5 . 1 1 123 123 ARG CB C 123 30.910 30.910 31.498 -0.588 19699 3297 1 5 . 1 1 123 123 ARG H H 123 9.099 9.099 8.764 0.335 19699 3298 1 5 . 1 1 124 124 LEU N N 124 132.168 132.168 128.963 3.205 19699 3299 1 5 . 1 1 124 124 LEU C C 124 173.758 173.758 174.479 -0.721 19699 3300 1 5 . 1 1 124 124 LEU H H 124 10.076 10.076 9.171 0.905 19699 3301 1 5 . 1 1 125 125 ARG N N 125 128.271 128.271 129.392 -1.121 19699 3302 1 5 . 1 1 125 125 ARG C C 125 175.505 175.505 174.398 1.107 19699 3303 1 5 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.272 -0.670 19699 3304 1 5 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.146 -1.347 19699 3305 1 5 . 1 1 125 125 ARG H H 125 9.086 9.086 9.111 -0.025 19699 3306 1 5 . 1 1 126 126 MET N N 126 108.020 108.020 128.561 -20.541 19699 3307 1 5 . 1 1 126 126 MET C C 126 174.911 174.911 173.721 1.190 19699 3308 1 5 . 1 1 126 126 MET CA C 126 54.118 54.118 54.387 -0.269 19699 3309 1 5 . 1 1 126 126 MET CB C 126 33.459 33.459 35.463 -2.004 19699 3310 1 5 . 1 1 126 126 MET H H 126 9.003 9.003 8.936 0.067 19699 3311 1 5 . 1 1 127 127 CYS N N 127 126.794 126.794 127.058 -0.264 19699 3312 1 5 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.740 -3.555 19699 3313 1 5 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.096 20.166 19699 3314 1 5 . 1 1 127 127 CYS H H 127 8.849 8.849 8.742 0.107 19699 3315 1 5 . 1 1 128 128 PRO C C 128 174.880 174.880 175.382 -0.502 19699 3316 1 5 . 1 1 129 129 TRP N N 129 118.064 118.064 123.002 -4.938 19699 3317 1 5 . 1 1 129 129 TRP C C 129 173.252 173.252 175.908 -2.656 19699 3318 1 5 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.851 -0.515 19699 3319 1 5 . 1 1 129 129 TRP CB C 129 32.046 32.046 33.676 -1.630 19699 3320 1 5 . 1 1 129 129 TRP H H 129 7.775 7.775 8.782 -1.007 19699 3321 1 5 . 1 1 130 130 THR N N 130 112.900 112.900 112.484 0.416 19699 3322 1 5 . 1 1 130 130 THR C C 130 172.690 172.690 174.362 -1.672 19699 3323 1 5 . 1 1 130 130 THR CA C 130 58.923 58.923 59.981 -1.058 19699 3324 1 5 . 1 1 130 130 THR CB C 130 69.380 69.380 71.694 -2.314 19699 3325 1 5 . 1 1 130 130 THR H H 130 8.810 8.810 8.787 0.023 19699 3326 1 5 . 1 1 131 131 SER N N 131 122.448 122.448 120.011 2.437 19699 3327 1 5 . 1 1 131 131 SER C C 131 174.399 174.399 174.731 -0.332 19699 3328 1 5 . 1 1 131 131 SER CA C 131 58.582 58.582 59.120 -0.538 19699 3329 1 5 . 1 1 131 131 SER CB C 131 63.356 63.356 63.345 0.011 19699 3330 1 5 . 1 1 131 131 SER H H 131 8.898 8.898 8.762 0.136 19699 3331 1 5 . 1 1 132 132 ASN N N 132 124.196 124.196 121.696 2.500 19699 3332 1 5 . 1 1 132 132 ASN C C 132 175.577 175.577 175.856 -0.279 19699 3333 1 5 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.822 0.345 19699 3334 1 5 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.734 -0.663 19699 3335 1 5 . 1 1 132 132 ASN H H 132 8.785 8.785 7.713 1.072 19699 3336 1 5 . 1 1 133 133 SER N N 133 120.691 120.691 122.916 -2.225 19699 3337 1 5 . 1 1 133 133 SER C C 133 174.574 174.574 175.256 -0.682 19699 3338 1 5 . 1 1 133 133 SER CA C 133 59.820 59.820 59.808 0.012 19699 3339 1 5 . 1 1 133 133 SER CB C 133 62.342 62.342 62.903 -0.561 19699 3340 1 5 . 1 1 133 133 SER H H 133 8.580 8.580 8.614 -0.034 19699 3341 1 5 . 1 1 134 134 LYS N N 134 119.450 119.450 119.599 -0.149 19699 3342 1 5 . 1 1 134 134 LYS C C 134 176.698 176.698 177.042 -0.344 19699 3343 1 5 . 1 1 134 134 LYS CA C 134 55.687 55.687 57.017 -1.330 19699 3344 1 5 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.585 -1.225 19699 3345 1 5 . 1 1 134 134 LYS H H 134 7.904 7.904 7.855 0.049 19699 3346 1 5 . 1 1 135 135 MET N N 135 121.695 121.695 119.240 2.455 19699 3347 1 5 . 1 1 135 135 MET C C 135 175.354 175.354 176.705 -1.351 19699 3348 1 5 . 1 1 135 135 MET CA C 135 55.498 55.498 56.222 -0.724 19699 3349 1 5 . 1 1 135 135 MET CB C 135 33.295 33.295 33.461 -0.166 19699 3350 1 5 . 1 1 135 135 MET H H 135 7.343 7.343 7.502 -0.159 19699 3351 1 5 . 1 1 136 136 THR N N 136 114.220 114.220 111.455 2.765 19699 3352 1 5 . 1 1 136 136 THR C C 136 173.806 173.806 173.273 0.533 19699 3353 1 5 . 1 1 136 136 THR CA C 136 61.228 61.228 61.252 -0.024 19699 3354 1 5 . 1 1 136 136 THR CB C 136 69.201 69.201 69.461 -0.260 19699 3355 1 5 . 1 1 136 136 THR H H 136 8.633 8.633 8.566 0.067 19699 3356 1 5 . 1 1 137 137 ALA N N 137 125.205 125.205 122.208 2.997 19699 3357 1 5 . 1 1 137 137 ALA C C 137 173.600 173.600 175.068 -1.468 19699 3358 1 5 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.194 -0.353 19699 3359 1 5 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.484 -1.356 19699 3360 1 5 . 1 1 137 137 ALA H H 137 7.637 7.637 7.409 0.228 19699 3361 1 5 . 1 1 138 138 PRO C C 138 175.117 175.117 175.822 -0.705 19699 3362 1 5 . 1 1 139 139 ASP N N 139 121.528 121.528 120.485 1.043 19699 3363 1 5 . 1 1 139 139 ASP C C 139 174.966 174.966 177.061 -2.095 19699 3364 1 5 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.005 -0.429 19699 3365 1 5 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.385 -0.642 19699 3366 1 5 . 1 1 139 139 ASP H H 139 7.299 7.299 8.086 -0.787 19699 3367 1 5 . 1 1 140 140 GLU N N 140 118.631 118.631 119.848 -1.217 19699 3368 1 5 . 1 1 140 140 GLU C C 140 178.914 178.914 178.425 0.489 19699 3369 1 5 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.447 -0.641 19699 3370 1 5 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.683 -1.165 19699 3371 1 5 . 1 1 140 140 GLU H H 140 8.524 8.524 8.679 -0.155 19699 3372 1 5 . 1 1 141 141 GLU N N 141 119.900 119.900 119.232 0.668 19699 3373 1 5 . 1 1 141 141 GLU C C 141 178.162 178.162 178.991 -0.829 19699 3374 1 5 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.401 -0.752 19699 3375 1 5 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.319 -0.912 19699 3376 1 5 . 1 1 141 141 GLU H H 141 8.116 8.116 8.495 -0.379 19699 3377 1 5 . 1 1 142 142 MET N N 142 121.303 121.303 118.781 2.522 19699 3378 1 5 . 1 1 142 142 MET C C 142 178.689 178.689 178.971 -0.282 19699 3379 1 5 . 1 1 142 142 MET CA C 142 59.370 59.370 59.514 -0.144 19699 3380 1 5 . 1 1 142 142 MET CB C 142 33.252 33.252 32.824 0.428 19699 3381 1 5 . 1 1 142 142 MET H H 142 7.989 7.989 9.027 -1.038 19699 3382 1 5 . 1 1 143 143 LEU N N 143 117.901 117.901 118.841 -0.940 19699 3383 1 5 . 1 1 143 143 LEU C C 143 180.619 180.619 178.264 2.355 19699 3384 1 5 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.591 0.222 19699 3385 1 5 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.659 -1.390 19699 3386 1 5 . 1 1 143 143 LEU H H 143 8.485 8.485 8.228 0.257 19699 3387 1 5 . 1 1 144 144 ARG N N 144 120.175 120.175 118.037 2.138 19699 3388 1 5 . 1 1 144 144 ARG C C 144 180.648 180.648 178.584 2.064 19699 3389 1 5 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.454 -0.204 19699 3390 1 5 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.413 -1.488 19699 3391 1 5 . 1 1 144 144 ARG H H 144 7.900 7.900 8.277 -0.377 19699 3392 1 5 . 1 1 145 145 LYS N N 145 119.936 119.936 118.516 1.420 19699 3393 1 5 . 1 1 145 145 LYS C C 145 178.813 178.813 179.306 -0.493 19699 3394 1 5 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.317 -0.693 19699 3395 1 5 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.433 -0.370 19699 3396 1 5 . 1 1 145 145 LYS H H 145 7.850 7.850 8.211 -0.361 19699 3397 1 5 . 1 1 146 146 MET N N 146 115.986 115.986 117.671 -1.685 19699 3398 1 5 . 1 1 146 146 MET C C 146 176.094 176.094 176.691 -0.597 19699 3399 1 5 . 1 1 146 146 MET CA C 146 55.267 55.267 56.389 -1.122 19699 3400 1 5 . 1 1 146 146 MET CB C 146 32.898 32.898 32.336 0.562 19699 3401 1 5 . 1 1 146 146 MET H H 146 7.776 7.776 8.299 -0.523 19699 3402 1 5 . 1 1 147 147 SER N N 147 119.679 119.679 116.665 3.014 19699 3403 1 5 . 1 1 147 147 SER C C 147 175.114 175.114 176.206 -1.092 19699 3404 1 5 . 1 1 147 147 SER CA C 147 62.736 62.736 62.004 0.732 19699 3405 1 5 . 1 1 147 147 SER CB C 147 62.105 62.105 62.880 -0.775 19699 3406 1 5 . 1 1 147 147 SER H H 147 7.430 7.430 7.881 -0.451 19699 3407 1 5 . 1 1 148 148 GLU N N 148 117.968 117.968 121.836 -3.868 19699 3408 1 5 . 1 1 148 148 GLU C C 148 179.313 179.313 177.699 1.614 19699 3409 1 5 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.693 0.382 19699 3410 1 5 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.495 0.043 19699 3411 1 5 . 1 1 148 148 GLU H H 148 9.216 9.216 7.993 1.223 19699 3412 1 5 . 1 1 149 149 VAL N N 149 115.349 115.349 117.991 -2.642 19699 3413 1 5 . 1 1 149 149 VAL C C 149 176.790 176.790 177.784 -0.994 19699 3414 1 5 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.728 -0.864 19699 3415 1 5 . 1 1 149 149 VAL H H 149 7.325 7.325 7.688 -0.363 19699 3416 1 5 . 1 1 150 150 LEU N N 150 119.724 119.724 120.674 -0.950 19699 3417 1 5 . 1 1 150 150 LEU C C 150 178.010 178.010 178.011 -0.001 19699 3418 1 5 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.647 -0.438 19699 3419 1 5 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.402 -1.976 19699 3420 1 5 . 1 1 150 150 LEU H H 150 7.387 7.387 8.352 -0.965 19699 3421 1 5 . 1 1 151 151 ASN N N 151 112.853 112.853 116.315 -3.462 19699 3422 1 5 . 1 1 151 151 ASN C C 151 176.682 176.682 174.609 2.073 19699 3423 1 5 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.456 -0.366 19699 3424 1 5 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.557 -0.261 19699 3425 1 5 . 1 1 151 151 ASN H H 151 7.593 7.593 7.729 -0.136 19699 3426 1 5 . 1 1 152 152 LEU N N 152 122.057 122.057 122.178 -0.121 19699 3427 1 5 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.193 1.260 19699 3428 1 5 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.681 -2.092 19699 3429 1 5 . 1 1 152 152 LEU H H 152 7.193 7.193 7.623 -0.430 19699 3430 1 5 . 1 1 153 153 PRO C C 153 177.670 177.670 175.552 2.118 19699 3431 1 5 . 1 1 154 154 ASN N N 154 121.894 121.894 120.086 1.808 19699 3432 1 5 . 1 1 154 154 ASN C C 154 176.786 176.786 174.391 2.395 19699 3433 1 5 . 1 1 154 154 ASN CA C 154 52.757 52.757 52.762 -0.005 19699 3434 1 5 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.728 -1.899 19699 3435 1 5 . 1 1 154 154 ASN H H 154 8.824 8.824 8.404 0.420 19699 3436 1 5 . 1 1 155 155 TYR N N 155 124.386 124.386 120.156 4.230 19699 3437 1 5 . 1 1 155 155 TYR C C 155 173.048 173.048 174.069 -1.021 19699 3438 1 5 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.291 -2.568 19699 3439 1 5 . 1 1 155 155 TYR CB C 155 39.711 39.711 42.035 -2.324 19699 3440 1 5 . 1 1 155 155 TYR H H 155 8.245 8.245 8.341 -0.096 19699 3441 1 6 . 1 1 2 2 HIS N N 2 122.591 122.591 122.219 0.372 19699 3442 1 6 . 1 1 2 2 HIS C C 2 174.514 174.514 174.747 -0.233 19699 3443 1 6 . 1 1 2 2 HIS CA C 2 54.301 54.301 54.799 -0.498 19699 3444 1 6 . 1 1 2 2 HIS CB C 2 28.454 28.454 32.469 -4.015 19699 3445 1 6 . 1 1 2 2 HIS H H 2 8.695 8.695 9.219 -0.524 19699 3446 1 6 . 1 1 3 3 SER N N 3 120.223 120.223 118.599 1.624 19699 3447 1 6 . 1 1 3 3 SER C C 3 175.623 175.623 174.675 0.948 19699 3448 1 6 . 1 1 3 3 SER CA C 3 58.703 58.703 58.312 0.391 19699 3449 1 6 . 1 1 3 3 SER CB C 3 63.275 63.275 63.644 -0.369 19699 3450 1 6 . 1 1 3 3 SER H H 3 8.797 8.797 9.132 -0.335 19699 3451 1 6 . 1 1 4 4 LEU N N 4 126.300 126.300 127.352 -1.052 19699 3452 1 6 . 1 1 4 4 LEU C C 4 175.677 175.677 176.354 -0.677 19699 3453 1 6 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.390 -0.341 19699 3454 1 6 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.182 0.425 19699 3455 1 6 . 1 1 4 4 LEU H H 4 8.332 8.332 7.831 0.501 19699 3456 1 6 . 1 1 5 5 GLY N N 5 108.289 108.289 107.302 0.987 19699 3457 1 6 . 1 1 5 5 GLY C C 5 171.743 171.743 172.084 -0.341 19699 3458 1 6 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.168 -0.518 19699 3459 1 6 . 1 1 5 5 GLY H H 5 7.737 7.737 7.502 0.235 19699 3460 1 6 . 1 1 6 6 CYS N N 6 112.366 112.366 119.402 -7.036 19699 3461 1 6 . 1 1 6 6 CYS C C 6 172.715 172.715 173.968 -1.253 19699 3462 1 6 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.656 -2.932 19699 3463 1 6 . 1 1 6 6 CYS CB C 6 48.588 48.588 30.122 18.466 19699 3464 1 6 . 1 1 6 6 CYS H H 6 7.688 7.688 7.904 -0.216 19699 3465 1 6 . 1 1 7 7 TYR N N 7 122.399 122.399 119.752 2.647 19699 3466 1 6 . 1 1 7 7 TYR C C 7 174.024 174.024 174.352 -0.328 19699 3467 1 6 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.068 0.585 19699 3468 1 6 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.665 -2.143 19699 3469 1 6 . 1 1 7 7 TYR H H 7 8.733 8.733 9.015 -0.282 19699 3470 1 6 . 1 1 8 8 PHE N N 8 123.806 123.806 121.965 1.841 19699 3471 1 6 . 1 1 8 8 PHE C C 8 175.708 175.708 175.611 0.097 19699 3472 1 6 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.864 -0.156 19699 3473 1 6 . 1 1 8 8 PHE CB C 8 39.575 39.575 41.033 -1.458 19699 3474 1 6 . 1 1 8 8 PHE H H 8 9.088 9.088 8.955 0.133 19699 3475 1 6 . 1 1 9 9 LYS N N 9 121.663 121.663 122.813 -1.150 19699 3476 1 6 . 1 1 9 9 LYS C C 9 176.024 176.024 175.766 0.258 19699 3477 1 6 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.807 -2.418 19699 3478 1 6 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.951 0.610 19699 3479 1 6 . 1 1 9 9 LYS H H 9 9.284 9.284 9.247 0.037 19699 3480 1 6 . 1 1 10 10 GLY N N 10 109.739 109.739 108.056 1.683 19699 3481 1 6 . 1 1 10 10 GLY C C 10 172.722 172.722 173.488 -0.766 19699 3482 1 6 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.877 0.325 19699 3483 1 6 . 1 1 10 10 GLY H H 10 8.755 8.755 8.630 0.125 19699 3484 1 6 . 1 1 11 11 ILE N N 11 122.761 122.761 123.444 -0.683 19699 3485 1 6 . 1 1 11 11 ILE C C 11 174.106 174.106 174.782 -0.676 19699 3486 1 6 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.185 -0.073 19699 3487 1 6 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.500 1.245 19699 3488 1 6 . 1 1 11 11 ILE H H 11 8.212 8.212 8.732 -0.520 19699 3489 1 6 . 1 1 12 12 ASN N N 12 127.675 127.675 126.501 1.174 19699 3490 1 6 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.103 -0.364 19699 3491 1 6 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.632 -1.047 19699 3492 1 6 . 1 1 12 12 ASN H H 12 9.050 9.050 8.749 0.301 19699 3493 1 6 . 1 1 13 13 PRO C C 13 176.450 176.450 176.690 -0.240 19699 3494 1 6 . 1 1 14 14 THR N N 14 115.695 115.695 120.725 -5.030 19699 3495 1 6 . 1 1 14 14 THR C C 14 173.172 173.172 173.712 -0.540 19699 3496 1 6 . 1 1 14 14 THR CA C 14 59.908 59.908 61.861 -1.953 19699 3497 1 6 . 1 1 14 14 THR CB C 14 70.727 70.727 70.286 0.441 19699 3498 1 6 . 1 1 14 14 THR H H 14 9.320 9.320 8.792 0.528 19699 3499 1 6 . 1 1 15 15 LYS N N 15 123.952 123.952 128.921 -4.969 19699 3500 1 6 . 1 1 15 15 LYS C C 15 177.147 177.147 175.541 1.606 19699 3501 1 6 . 1 1 15 15 LYS CA C 15 55.686 55.686 56.570 -0.884 19699 3502 1 6 . 1 1 15 15 LYS CB C 15 31.964 31.964 32.749 -0.785 19699 3503 1 6 . 1 1 15 15 LYS H H 15 8.534 8.534 8.756 -0.222 19699 3504 1 6 . 1 1 16 16 VAL N N 16 129.976 129.976 128.118 1.858 19699 3505 1 6 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.702 0.242 19699 3506 1 6 . 1 1 16 16 VAL CB C 16 32.014 32.014 34.248 -2.234 19699 3507 1 6 . 1 1 16 16 VAL H H 16 8.836 8.836 8.904 -0.068 19699 3508 1 6 . 1 1 17 17 PRO C C 17 176.397 176.397 176.057 0.340 19699 3509 1 6 . 1 1 18 18 SER N N 18 117.885 117.885 115.455 2.430 19699 3510 1 6 . 1 1 18 18 SER C C 18 174.516 174.516 175.053 -0.537 19699 3511 1 6 . 1 1 18 18 SER CA C 18 56.695 56.695 57.352 -0.657 19699 3512 1 6 . 1 1 18 18 SER CB C 18 64.232 64.232 64.390 -0.158 19699 3513 1 6 . 1 1 18 18 SER H H 18 8.303 8.303 7.736 0.567 19699 3514 1 6 . 1 1 19 19 SER N N 19 120.346 120.346 118.427 1.919 19699 3515 1 6 . 1 1 19 19 SER C C 19 173.829 173.829 174.828 -0.999 19699 3516 1 6 . 1 1 19 19 SER CA C 19 58.080 58.080 59.303 -1.223 19699 3517 1 6 . 1 1 19 19 SER CB C 19 62.659 62.659 63.181 -0.522 19699 3518 1 6 . 1 1 19 19 SER H H 19 8.679 8.679 8.537 0.142 19699 3519 1 6 . 1 1 20 20 ASP N N 20 126.377 126.377 124.366 2.011 19699 3520 1 6 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.689 -0.305 19699 3521 1 6 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.858 0.678 19699 3522 1 6 . 1 1 20 20 ASP H H 20 8.247 8.247 7.643 0.604 19699 3523 1 6 . 1 1 21 21 PRO C C 21 177.616 177.616 175.137 2.479 19699 3524 1 6 . 1 1 22 22 ARG N N 22 119.127 119.127 116.691 2.436 19699 3525 1 6 . 1 1 22 22 ARG C C 22 175.307 175.307 174.418 0.889 19699 3526 1 6 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.391 0.023 19699 3527 1 6 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.652 -2.847 19699 3528 1 6 . 1 1 22 22 ARG H H 22 8.692 8.692 7.884 0.808 19699 3529 1 6 . 1 1 23 23 THR N N 23 120.270 120.270 117.673 2.597 19699 3530 1 6 . 1 1 23 23 THR C C 23 172.509 172.509 173.953 -1.444 19699 3531 1 6 . 1 1 23 23 THR CA C 23 63.089 63.089 62.455 0.634 19699 3532 1 6 . 1 1 23 23 THR CB C 23 69.254 69.254 70.724 -1.470 19699 3533 1 6 . 1 1 23 23 THR H H 23 8.265 8.265 8.488 -0.223 19699 3534 1 6 . 1 1 24 24 VAL N N 24 129.461 129.461 127.458 2.003 19699 3535 1 6 . 1 1 24 24 VAL C C 24 174.663 174.663 174.305 0.358 19699 3536 1 6 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.766 -0.782 19699 3537 1 6 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.094 -0.490 19699 3538 1 6 . 1 1 24 24 VAL H H 24 8.992 8.992 8.396 0.596 19699 3539 1 6 . 1 1 25 25 LEU N N 25 126.449 126.449 129.257 -2.808 19699 3540 1 6 . 1 1 25 25 LEU C C 25 174.669 174.669 175.482 -0.813 19699 3541 1 6 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.273 -1.026 19699 3542 1 6 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.310 1.852 19699 3543 1 6 . 1 1 25 25 LEU H H 25 9.281 9.281 8.740 0.541 19699 3544 1 6 . 1 1 26 26 LYS N N 26 120.574 120.574 125.097 -4.523 19699 3545 1 6 . 1 1 26 26 LYS C C 26 175.637 175.637 175.208 0.429 19699 3546 1 6 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.030 -1.365 19699 3547 1 6 . 1 1 26 26 LYS CB C 26 36.820 36.820 34.563 2.257 19699 3548 1 6 . 1 1 26 26 LYS H H 26 8.832 8.832 8.769 0.063 19699 3549 1 6 . 1 1 27 27 CYS N N 27 126.079 126.079 127.678 -1.599 19699 3550 1 6 . 1 1 27 27 CYS C C 27 172.527 172.527 174.454 -1.927 19699 3551 1 6 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.166 -5.738 19699 3552 1 6 . 1 1 27 27 CYS CB C 27 44.628 44.628 25.725 18.903 19699 3553 1 6 . 1 1 27 27 CYS H H 27 8.709 8.709 8.863 -0.154 19699 3554 1 6 . 1 1 28 28 THR N N 28 122.887 122.887 123.055 -0.168 19699 3555 1 6 . 1 1 28 28 THR C C 28 172.844 172.844 173.772 -0.928 19699 3556 1 6 . 1 1 28 28 THR CA C 28 64.228 64.228 63.869 0.359 19699 3557 1 6 . 1 1 28 28 THR CB C 28 68.222 68.222 69.249 -1.027 19699 3558 1 6 . 1 1 28 28 THR H H 28 8.086 8.086 8.282 -0.196 19699 3559 1 6 . 1 1 29 29 LEU N N 29 127.761 127.761 127.430 0.331 19699 3560 1 6 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.736 -1.375 19699 3561 1 6 . 1 1 29 29 LEU CB C 29 39.791 39.791 42.031 -2.240 19699 3562 1 6 . 1 1 29 29 LEU H H 29 8.452 8.452 8.026 0.426 19699 3563 1 6 . 1 1 30 30 PRO C C 30 174.451 174.451 176.030 -1.579 19699 3564 1 6 . 1 1 31 31 ASP N N 31 120.693 120.693 122.385 -1.692 19699 3565 1 6 . 1 1 31 31 ASP C C 31 175.442 175.442 175.366 0.076 19699 3566 1 6 . 1 1 31 31 ASP CA C 31 52.922 52.922 54.024 -1.102 19699 3567 1 6 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.789 -1.544 19699 3568 1 6 . 1 1 31 31 ASP H H 31 8.380 8.380 8.576 -0.196 19699 3569 1 6 . 1 1 32 32 VAL N N 32 127.962 127.962 124.694 3.268 19699 3570 1 6 . 1 1 32 32 VAL C C 32 173.841 173.841 175.476 -1.635 19699 3571 1 6 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.565 -0.597 19699 3572 1 6 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.177 0.225 19699 3573 1 6 . 1 1 32 32 VAL H H 32 7.195 7.195 7.750 -0.555 19699 3574 1 6 . 1 1 33 33 LYS N N 33 127.967 127.967 129.969 -2.002 19699 3575 1 6 . 1 1 33 33 LYS C C 33 176.805 176.805 175.307 1.498 19699 3576 1 6 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.599 -0.841 19699 3577 1 6 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.682 -1.609 19699 3578 1 6 . 1 1 33 33 LYS H H 33 8.375 8.375 8.861 -0.486 19699 3579 1 6 . 1 1 34 34 VAL N N 34 110.772 110.772 120.046 -9.274 19699 3580 1 6 . 1 1 34 34 VAL C C 34 174.766 174.766 174.545 0.221 19699 3581 1 6 . 1 1 34 34 VAL CA C 34 56.939 56.939 60.344 -3.405 19699 3582 1 6 . 1 1 34 34 VAL CB C 34 34.674 34.674 36.086 -1.412 19699 3583 1 6 . 1 1 34 34 VAL H H 34 6.445 6.445 7.617 -1.172 19699 3584 1 6 . 1 1 35 35 ASN N N 35 123.757 123.757 124.365 -0.608 19699 3585 1 6 . 1 1 35 35 ASN C C 35 173.218 173.218 174.180 -0.962 19699 3586 1 6 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.576 0.060 19699 3587 1 6 . 1 1 35 35 ASN CB C 35 36.128 36.128 37.201 -1.073 19699 3588 1 6 . 1 1 35 35 ASN H H 35 8.723 8.723 8.885 -0.162 19699 3589 1 6 . 1 1 36 36 ALA N N 36 124.355 124.355 126.567 -2.212 19699 3590 1 6 . 1 1 36 36 ALA C C 36 175.731 175.731 174.821 0.910 19699 3591 1 6 . 1 1 36 36 ALA H H 36 7.176 7.176 8.158 -0.982 19699 3592 1 6 . 1 1 37 37 SER N N 37 116.842 116.842 113.907 2.935 19699 3593 1 6 . 1 1 37 37 SER C C 37 173.137 173.137 173.225 -0.088 19699 3594 1 6 . 1 1 37 37 SER CA C 37 56.592 56.592 56.615 -0.023 19699 3595 1 6 . 1 1 37 37 SER CB C 37 65.760 65.760 66.306 -0.546 19699 3596 1 6 . 1 1 37 37 SER H H 37 8.185 8.185 7.876 0.309 19699 3597 1 6 . 1 1 38 38 TRP N N 38 123.519 123.519 120.371 3.148 19699 3598 1 6 . 1 1 38 38 TRP C C 38 174.100 174.100 175.937 -1.837 19699 3599 1 6 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.497 -0.663 19699 3600 1 6 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.612 -5.018 19699 3601 1 6 . 1 1 38 38 TRP H H 38 8.895 8.895 8.934 -0.039 19699 3602 1 6 . 1 1 39 39 THR N N 39 120.476 120.476 118.475 2.001 19699 3603 1 6 . 1 1 39 39 THR C C 39 174.400 174.400 173.553 0.847 19699 3604 1 6 . 1 1 39 39 THR CA C 39 61.580 61.580 61.547 0.033 19699 3605 1 6 . 1 1 39 39 THR CB C 39 70.182 70.182 70.357 -0.175 19699 3606 1 6 . 1 1 39 39 THR H H 39 9.073 9.073 8.797 0.276 19699 3607 1 6 . 1 1 40 40 LEU N N 40 129.561 129.561 127.619 1.942 19699 3608 1 6 . 1 1 40 40 LEU C C 40 173.008 173.008 175.426 -2.418 19699 3609 1 6 . 1 1 40 40 LEU H H 40 10.036 10.036 9.133 0.904 19699 3610 1 6 . 1 1 41 41 GLU N N 41 126.217 126.217 123.341 2.876 19699 3611 1 6 . 1 1 41 41 GLU C C 41 174.208 174.208 174.857 -0.649 19699 3612 1 6 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.111 -0.960 19699 3613 1 6 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.331 -2.239 19699 3614 1 6 . 1 1 41 41 GLU H H 41 8.504 8.504 8.402 0.102 19699 3615 1 6 . 1 1 42 42 TRP N N 42 131.942 131.942 126.762 5.180 19699 3616 1 6 . 1 1 42 42 TRP C C 42 174.332 174.332 176.099 -1.767 19699 3617 1 6 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.472 -1.389 19699 3618 1 6 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.415 -2.502 19699 3619 1 6 . 1 1 42 42 TRP H H 42 9.446 9.446 9.019 0.427 19699 3620 1 6 . 1 1 43 43 VAL N N 43 127.871 127.871 116.479 11.392 19699 3621 1 6 . 1 1 43 43 VAL C C 43 175.693 175.693 174.131 1.562 19699 3622 1 6 . 1 1 43 43 VAL CA C 43 62.219 62.219 59.313 2.906 19699 3623 1 6 . 1 1 43 43 VAL CB C 43 31.454 31.454 35.763 -4.309 19699 3624 1 6 . 1 1 43 43 VAL H H 43 9.065 9.065 9.169 -0.104 19699 3625 1 6 . 1 1 44 44 VAL N N 44 129.882 129.882 121.646 8.236 19699 3626 1 6 . 1 1 44 44 VAL C C 44 176.740 176.740 176.343 0.397 19699 3627 1 6 . 1 1 44 44 VAL CA C 44 61.175 61.175 60.890 0.285 19699 3628 1 6 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.869 -4.384 19699 3629 1 6 . 1 1 44 44 VAL H H 44 8.895 8.895 8.704 0.191 19699 3630 1 6 . 1 1 45 45 VAL N N 45 125.719 125.719 128.722 -3.003 19699 3631 1 6 . 1 1 45 45 VAL C C 45 179.320 179.320 176.207 3.113 19699 3632 1 6 . 1 1 45 45 VAL CA C 45 66.862 66.862 66.278 0.584 19699 3633 1 6 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.037 -0.832 19699 3634 1 6 . 1 1 45 45 VAL H H 45 7.462 7.462 8.325 -0.863 19699 3635 1 6 . 1 1 46 46 ASN N N 46 114.964 114.964 116.007 -1.043 19699 3636 1 6 . 1 1 46 46 ASN C C 46 175.545 175.545 176.336 -0.791 19699 3637 1 6 . 1 1 46 46 ASN CA C 46 54.810 54.810 54.876 -0.066 19699 3638 1 6 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.613 -2.536 19699 3639 1 6 . 1 1 46 46 ASN H H 46 8.550 8.550 7.664 0.886 19699 3640 1 6 . 1 1 47 47 LEU N N 47 117.360 117.360 116.476 0.884 19699 3641 1 6 . 1 1 47 47 LEU C C 47 175.920 175.920 176.739 -0.819 19699 3642 1 6 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.875 -1.609 19699 3643 1 6 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.610 -0.965 19699 3644 1 6 . 1 1 47 47 LEU H H 47 7.023 7.023 7.736 -0.713 19699 3645 1 6 . 1 1 48 48 HIS N N 48 116.042 116.042 115.028 1.014 19699 3646 1 6 . 1 1 48 48 HIS C C 48 172.021 172.021 174.025 -2.004 19699 3647 1 6 . 1 1 48 48 HIS CA C 48 55.594 55.594 56.975 -1.381 19699 3648 1 6 . 1 1 48 48 HIS CB C 48 26.230 26.230 27.115 -0.885 19699 3649 1 6 . 1 1 48 48 HIS H H 48 7.581 7.581 7.635 -0.054 19699 3650 1 6 . 1 1 49 49 THR N N 49 107.923 107.923 109.308 -1.385 19699 3651 1 6 . 1 1 49 49 THR C C 49 171.828 171.828 172.715 -0.887 19699 3652 1 6 . 1 1 49 49 THR CA C 49 58.493 58.493 60.684 -2.191 19699 3653 1 6 . 1 1 49 49 THR CB C 49 68.152 68.152 72.945 -4.793 19699 3654 1 6 . 1 1 49 49 THR H H 49 7.011 7.011 7.931 -0.920 19699 3655 1 6 . 1 1 50 50 SER N N 50 114.393 114.393 115.163 -0.770 19699 3656 1 6 . 1 1 50 50 SER C C 50 172.904 172.904 172.995 -0.091 19699 3657 1 6 . 1 1 50 50 SER CA C 50 55.318 55.318 56.832 -1.514 19699 3658 1 6 . 1 1 50 50 SER CB C 50 66.748 66.748 65.412 1.337 19699 3659 1 6 . 1 1 50 50 SER H H 50 8.066 8.066 9.003 -0.937 19699 3660 1 6 . 1 1 51 51 VAL N N 51 123.100 123.100 126.441 -3.341 19699 3661 1 6 . 1 1 51 51 VAL C C 51 176.585 176.585 175.926 0.659 19699 3662 1 6 . 1 1 51 51 VAL CA C 51 63.214 63.214 63.356 -0.142 19699 3663 1 6 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.208 -0.857 19699 3664 1 6 . 1 1 51 51 VAL H H 51 8.667 8.667 8.938 -0.271 19699 3665 1 6 . 1 1 52 52 ASP N N 52 129.313 129.313 125.756 3.557 19699 3666 1 6 . 1 1 52 52 ASP C C 52 173.916 173.916 175.656 -1.740 19699 3667 1 6 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.269 2.473 19699 3668 1 6 . 1 1 52 52 ASP CB C 52 39.928 39.928 40.741 -0.813 19699 3669 1 6 . 1 1 52 52 ASP H H 52 9.402 9.402 8.243 1.159 19699 3670 1 6 . 1 1 53 53 VAL N N 53 118.437 118.437 119.823 -1.386 19699 3671 1 6 . 1 1 53 53 VAL C C 53 175.402 175.402 175.379 0.023 19699 3672 1 6 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.383 -1.615 19699 3673 1 6 . 1 1 53 53 VAL CB C 53 34.846 34.846 32.572 2.274 19699 3674 1 6 . 1 1 53 53 VAL H H 53 7.080 7.080 7.604 -0.524 19699 3675 1 6 . 1 1 54 54 THR N N 54 115.972 115.972 119.510 -3.538 19699 3676 1 6 . 1 1 54 54 THR C C 54 174.081 174.081 173.648 0.433 19699 3677 1 6 . 1 1 54 54 THR CA C 54 58.682 58.682 60.070 -1.388 19699 3678 1 6 . 1 1 54 54 THR CB C 54 70.590 70.590 71.648 -1.058 19699 3679 1 6 . 1 1 54 54 THR H H 54 9.682 9.682 8.975 0.707 19699 3680 1 6 . 1 1 55 55 SER N N 55 117.493 117.493 117.494 -0.001 19699 3681 1 6 . 1 1 55 55 SER C C 55 172.532 172.532 172.931 -0.399 19699 3682 1 6 . 1 1 55 55 SER CA C 55 58.440 58.440 57.206 1.234 19699 3683 1 6 . 1 1 55 55 SER CB C 55 64.406 64.406 64.799 -0.393 19699 3684 1 6 . 1 1 55 55 SER H H 55 9.115 9.115 8.761 0.354 19699 3685 1 6 . 1 1 56 56 TYR N N 56 127.570 127.570 126.678 0.892 19699 3686 1 6 . 1 1 56 56 TYR C C 56 173.235 173.235 175.641 -2.406 19699 3687 1 6 . 1 1 56 56 TYR CA C 56 58.291 58.291 55.941 2.350 19699 3688 1 6 . 1 1 56 56 TYR CB C 56 40.634 40.634 41.490 -0.856 19699 3689 1 6 . 1 1 56 56 TYR H H 56 8.706 8.706 9.421 -0.715 19699 3690 1 6 . 1 1 57 57 TYR N N 57 126.921 126.921 117.567 9.354 19699 3691 1 6 . 1 1 57 57 TYR C C 57 175.189 175.189 173.304 1.885 19699 3692 1 6 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.289 -1.879 19699 3693 1 6 . 1 1 57 57 TYR CB C 57 40.543 40.543 41.882 -1.339 19699 3694 1 6 . 1 1 57 57 TYR H H 57 9.160 9.160 8.955 0.205 19699 3695 1 6 . 1 1 58 58 GLU N N 58 114.689 114.689 119.415 -4.726 19699 3696 1 6 . 1 1 58 58 GLU C C 58 176.098 176.098 175.068 1.030 19699 3697 1 6 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.059 0.262 19699 3698 1 6 . 1 1 58 58 GLU CB C 58 33.997 33.997 35.027 -1.030 19699 3699 1 6 . 1 1 58 58 GLU H H 58 7.814 7.814 8.434 -0.620 19699 3700 1 6 . 1 1 59 59 SER N N 59 118.144 118.144 115.365 2.779 19699 3701 1 6 . 1 1 59 59 SER C C 59 172.474 172.474 173.111 -0.637 19699 3702 1 6 . 1 1 59 59 SER CA C 59 56.261 56.261 56.713 -0.452 19699 3703 1 6 . 1 1 59 59 SER CB C 59 67.299 67.299 65.156 2.143 19699 3704 1 6 . 1 1 59 59 SER H H 59 9.059 9.059 8.608 0.451 19699 3705 1 6 . 1 1 60 60 SER N N 60 120.314 120.314 113.926 6.388 19699 3706 1 6 . 1 1 60 60 SER CA C 60 56.956 56.956 56.578 0.378 19699 3707 1 6 . 1 1 60 60 SER CB C 60 65.027 65.027 64.239 0.788 19699 3708 1 6 . 1 1 60 60 SER H H 60 9.489 9.489 8.608 0.881 19699 3709 1 6 . 1 1 61 61 PRO C C 61 175.753 175.753 177.027 -1.274 19699 3710 1 6 . 1 1 62 62 ASN N N 62 110.807 110.807 112.488 -1.681 19699 3711 1 6 . 1 1 62 62 ASN C C 62 174.630 174.630 175.122 -0.492 19699 3712 1 6 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.342 -1.931 19699 3713 1 6 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.395 -0.439 19699 3714 1 6 . 1 1 62 62 ASN H H 62 7.693 7.693 7.979 -0.286 19699 3715 1 6 . 1 1 63 63 SER N N 63 115.903 115.903 116.819 -0.916 19699 3716 1 6 . 1 1 63 63 SER C C 63 171.926 171.926 173.570 -1.644 19699 3717 1 6 . 1 1 63 63 SER CA C 63 57.927 57.927 57.151 0.776 19699 3718 1 6 . 1 1 63 63 SER CB C 63 64.472 64.472 64.722 -0.250 19699 3719 1 6 . 1 1 63 63 SER H H 63 7.636 7.636 8.264 -0.628 19699 3720 1 6 . 1 1 64 64 GLU N N 64 128.229 128.229 127.077 1.152 19699 3721 1 6 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.717 0.610 19699 3722 1 6 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.644 -4.208 19699 3723 1 6 . 1 1 64 64 GLU H H 64 9.432 9.432 8.661 0.771 19699 3724 1 6 . 1 1 65 65 PRO C C 65 175.912 175.912 176.052 -0.140 19699 3725 1 6 . 1 1 66 66 ARG N N 66 125.093 125.093 124.396 0.697 19699 3726 1 6 . 1 1 66 66 ARG C C 66 175.221 175.221 175.538 -0.317 19699 3727 1 6 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.596 0.157 19699 3728 1 6 . 1 1 66 66 ARG CB C 66 32.172 32.172 33.802 -1.630 19699 3729 1 6 . 1 1 66 66 ARG H H 66 8.054 8.054 8.666 -0.612 19699 3730 1 6 . 1 1 67 67 PHE N N 67 126.028 126.028 124.448 1.580 19699 3731 1 6 . 1 1 67 67 PHE C C 67 174.478 174.478 174.997 -0.519 19699 3732 1 6 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.578 -0.682 19699 3733 1 6 . 1 1 67 67 PHE CB C 67 38.054 38.054 39.646 -1.592 19699 3734 1 6 . 1 1 67 67 PHE H H 67 9.078 9.078 8.872 0.206 19699 3735 1 6 . 1 1 68 68 LEU N N 68 127.080 127.080 128.609 -1.529 19699 3736 1 6 . 1 1 68 68 LEU C C 68 175.994 175.994 175.129 0.865 19699 3737 1 6 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.480 -0.608 19699 3738 1 6 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.831 0.944 19699 3739 1 6 . 1 1 68 68 LEU H H 68 8.477 8.477 8.412 0.065 19699 3740 1 6 . 1 1 69 69 ARG N N 69 111.037 111.037 111.903 -0.866 19699 3741 1 6 . 1 1 69 69 ARG C C 69 172.738 172.738 173.739 -1.001 19699 3742 1 6 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.763 0.163 19699 3743 1 6 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.499 -2.770 19699 3744 1 6 . 1 1 69 69 ARG H H 69 6.560 6.560 7.344 -0.784 19699 3745 1 6 . 1 1 70 70 ALA N N 70 124.959 124.959 123.499 1.460 19699 3746 1 6 . 1 1 70 70 ALA C C 70 177.538 177.538 176.455 1.083 19699 3747 1 6 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.667 -0.512 19699 3748 1 6 . 1 1 70 70 ALA CB C 70 18.600 18.600 21.872 -3.272 19699 3749 1 6 . 1 1 70 70 ALA H H 70 8.749 8.749 8.732 0.017 19699 3750 1 6 . 1 1 71 71 ILE N N 71 120.318 120.318 122.057 -1.739 19699 3751 1 6 . 1 1 71 71 ILE C C 71 174.971 174.971 175.161 -0.190 19699 3752 1 6 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.913 -0.732 19699 3753 1 6 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.234 -1.734 19699 3754 1 6 . 1 1 71 71 ILE H H 71 8.532 8.532 9.212 -0.680 19699 3755 1 6 . 1 1 72 72 LEU N N 72 124.858 124.858 125.347 -0.489 19699 3756 1 6 . 1 1 72 72 LEU C C 72 176.383 176.383 177.346 -0.963 19699 3757 1 6 . 1 1 72 72 LEU CA C 72 56.146 56.146 54.990 1.156 19699 3758 1 6 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.019 -1.484 19699 3759 1 6 . 1 1 72 72 LEU H H 72 8.370 8.370 8.569 -0.199 19699 3760 1 6 . 1 1 73 73 ASN N N 73 118.206 118.206 121.624 -3.418 19699 3761 1 6 . 1 1 73 73 ASN C C 73 174.181 174.181 174.730 -0.549 19699 3762 1 6 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.716 -2.027 19699 3763 1 6 . 1 1 73 73 ASN CB C 73 36.110 36.110 36.981 -0.871 19699 3764 1 6 . 1 1 73 73 ASN H H 73 8.220 8.220 8.601 -0.381 19699 3765 1 6 . 1 1 74 74 PHE N N 74 123.331 123.331 122.884 0.447 19699 3766 1 6 . 1 1 74 74 PHE C C 74 176.458 176.458 176.196 0.262 19699 3767 1 6 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.217 0.177 19699 3768 1 6 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.746 -0.198 19699 3769 1 6 . 1 1 74 74 PHE H H 74 7.606 7.606 7.782 -0.176 19699 3770 1 6 . 1 1 75 75 THR N N 75 109.350 109.350 115.572 -6.222 19699 3771 1 6 . 1 1 75 75 THR H H 75 7.826 7.826 7.842 -0.016 19699 3772 1 6 . 1 1 76 76 PRO C C 76 176.832 176.832 176.745 0.087 19699 3773 1 6 . 1 1 77 77 MET N N 77 122.265 122.265 120.332 1.933 19699 3774 1 6 . 1 1 77 77 MET C C 77 176.515 176.515 176.258 0.257 19699 3775 1 6 . 1 1 77 77 MET CA C 77 55.525 55.525 55.112 0.413 19699 3776 1 6 . 1 1 77 77 MET CB C 77 30.039 30.039 32.457 -2.418 19699 3777 1 6 . 1 1 77 77 MET H H 77 8.404 8.404 8.816 -0.412 19699 3778 1 6 . 1 1 78 78 HIS N N 78 123.575 123.575 116.798 6.777 19699 3779 1 6 . 1 1 78 78 HIS C C 78 175.951 175.951 175.168 0.783 19699 3780 1 6 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.057 0.517 19699 3781 1 6 . 1 1 78 78 HIS CB C 78 29.895 29.895 28.989 0.906 19699 3782 1 6 . 1 1 78 78 HIS H H 78 8.469 8.469 8.156 0.313 19699 3783 1 6 . 1 1 80 80 LEU C C 80 177.711 177.711 175.669 2.042 19699 3784 1 6 . 1 1 81 81 ARG N N 81 119.707 119.707 121.851 -2.144 19699 3785 1 6 . 1 1 81 81 ARG C C 81 177.060 177.060 176.228 0.832 19699 3786 1 6 . 1 1 81 81 ARG H H 81 8.368 8.368 8.587 -0.219 19699 3787 1 6 . 1 1 82 82 THR N N 82 114.163 114.163 115.793 -1.630 19699 3788 1 6 . 1 1 82 82 THR C C 82 174.712 174.712 174.109 0.603 19699 3789 1 6 . 1 1 82 82 THR CA C 82 62.533 62.533 62.354 0.179 19699 3790 1 6 . 1 1 82 82 THR H H 82 7.936 7.936 8.760 -0.824 19699 3791 1 6 . 1 1 83 83 LYS N N 83 121.875 121.875 121.388 0.487 19699 3792 1 6 . 1 1 83 83 LYS C C 83 175.855 175.855 175.090 0.765 19699 3793 1 6 . 1 1 83 83 LYS CA C 83 55.700 55.700 54.452 1.248 19699 3794 1 6 . 1 1 83 83 LYS CB C 83 32.322 32.322 34.906 -2.584 19699 3795 1 6 . 1 1 83 83 LYS H H 83 8.092 8.092 7.460 0.632 19699 3796 1 6 . 1 1 84 84 ASN N N 84 118.272 118.272 119.483 -1.211 19699 3797 1 6 . 1 1 84 84 ASN C C 84 176.216 176.216 174.417 1.799 19699 3798 1 6 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.741 -0.139 19699 3799 1 6 . 1 1 84 84 ASN CB C 84 38.706 38.706 39.823 -1.117 19699 3800 1 6 . 1 1 84 84 ASN H H 84 8.163 8.163 8.157 0.006 19699 3801 1 6 . 1 1 85 85 LEU N N 85 123.394 123.394 121.543 1.851 19699 3802 1 6 . 1 1 85 85 LEU C C 85 176.987 176.987 177.204 -0.217 19699 3803 1 6 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.451 -0.185 19699 3804 1 6 . 1 1 85 85 LEU CB C 85 40.497 40.497 43.148 -2.651 19699 3805 1 6 . 1 1 85 85 LEU H H 85 8.382 8.382 8.357 0.025 19699 3806 1 6 . 1 1 86 86 LEU N N 86 122.330 122.330 122.940 -0.610 19699 3807 1 6 . 1 1 86 86 LEU C C 86 175.867 175.867 176.222 -0.355 19699 3808 1 6 . 1 1 86 86 LEU CA C 86 54.615 54.615 53.678 0.938 19699 3809 1 6 . 1 1 86 86 LEU CB C 86 42.488 42.488 43.724 -1.236 19699 3810 1 6 . 1 1 86 86 LEU H H 86 8.350 8.350 8.717 -0.367 19699 3811 1 6 . 1 1 87 87 LYS N N 87 121.964 121.964 121.641 0.323 19699 3812 1 6 . 1 1 87 87 LYS C C 87 179.215 179.215 177.671 1.544 19699 3813 1 6 . 1 1 87 87 LYS CA C 87 54.413 54.413 53.464 0.949 19699 3814 1 6 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.353 1.566 19699 3815 1 6 . 1 1 87 87 LYS H H 87 9.560 9.560 8.770 0.790 19699 3816 1 6 . 1 1 88 88 VAL N N 88 124.714 124.714 121.234 3.480 19699 3817 1 6 . 1 1 88 88 VAL C C 88 181.289 181.289 177.949 3.340 19699 3818 1 6 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.249 0.483 19699 3819 1 6 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.890 -1.794 19699 3820 1 6 . 1 1 88 88 VAL H H 88 8.331 8.331 8.742 -0.411 19699 3821 1 6 . 1 1 89 89 LYS N N 89 119.721 119.721 116.799 2.922 19699 3822 1 6 . 1 1 89 89 LYS C C 89 176.988 176.988 176.239 0.749 19699 3823 1 6 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.695 -3.962 19699 3824 1 6 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.220 -0.783 19699 3825 1 6 . 1 1 89 89 LYS H H 89 8.356 8.356 8.264 0.092 19699 3826 1 6 . 1 1 90 90 ASP N N 90 117.057 117.057 117.936 -0.879 19699 3827 1 6 . 1 1 90 90 ASP C C 90 174.938 174.938 175.876 -0.938 19699 3828 1 6 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.507 0.215 19699 3829 1 6 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.673 0.912 19699 3830 1 6 . 1 1 90 90 ASP H H 90 7.613 7.613 7.714 -0.101 19699 3831 1 6 . 1 1 91 91 GLY N N 91 104.457 104.457 105.792 -1.335 19699 3832 1 6 . 1 1 91 91 GLY C C 91 172.136 172.136 173.551 -1.415 19699 3833 1 6 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.150 -0.672 19699 3834 1 6 . 1 1 91 91 GLY H H 91 8.078 8.078 8.099 -0.021 19699 3835 1 6 . 1 1 92 92 PHE N N 92 117.903 117.903 119.998 -2.095 19699 3836 1 6 . 1 1 92 92 PHE C C 92 173.925 173.925 174.418 -0.493 19699 3837 1 6 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.573 0.200 19699 3838 1 6 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.707 1.876 19699 3839 1 6 . 1 1 92 92 PHE H H 92 7.038 7.038 7.680 -0.642 19699 3840 1 6 . 1 1 93 93 GLN N N 93 123.497 123.497 124.089 -0.592 19699 3841 1 6 . 1 1 93 93 GLN C C 93 173.550 173.550 173.820 -0.270 19699 3842 1 6 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.100 -0.349 19699 3843 1 6 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.967 0.926 19699 3844 1 6 . 1 1 93 93 GLN H H 93 8.716 8.716 8.629 0.087 19699 3845 1 6 . 1 1 94 94 VAL N N 94 130.740 130.740 128.814 1.926 19699 3846 1 6 . 1 1 94 94 VAL C C 94 176.502 176.502 175.220 1.282 19699 3847 1 6 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.055 0.476 19699 3848 1 6 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.012 -0.865 19699 3849 1 6 . 1 1 94 94 VAL H H 94 9.180 9.180 8.692 0.488 19699 3850 1 6 . 1 1 95 95 ASP N N 95 128.925 128.925 128.214 0.711 19699 3851 1 6 . 1 1 95 95 ASP C C 95 175.655 175.655 175.623 0.032 19699 3852 1 6 . 1 1 95 95 ASP CA C 95 54.302 54.302 55.022 -0.720 19699 3853 1 6 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.879 -1.778 19699 3854 1 6 . 1 1 95 95 ASP H H 95 8.397 8.397 8.326 0.071 19699 3855 1 6 . 1 1 96 96 ASN N N 96 126.934 126.934 124.827 2.107 19699 3856 1 6 . 1 1 96 96 ASN C C 96 176.193 176.193 174.467 1.726 19699 3857 1 6 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.359 -0.657 19699 3858 1 6 . 1 1 96 96 ASN CB C 96 38.784 38.784 39.501 -0.717 19699 3859 1 6 . 1 1 96 96 ASN H H 96 8.367 8.367 8.706 -0.339 19699 3860 1 6 . 1 1 97 97 SER N N 97 117.606 117.606 114.952 2.654 19699 3861 1 6 . 1 1 97 97 SER C C 97 176.522 176.522 174.673 1.849 19699 3862 1 6 . 1 1 97 97 SER CA C 97 58.237 58.237 56.952 1.285 19699 3863 1 6 . 1 1 97 97 SER CB C 97 63.473 63.473 64.832 -1.359 19699 3864 1 6 . 1 1 97 97 SER H H 97 8.645 8.645 8.765 -0.120 19699 3865 1 6 . 1 1 98 98 THR N N 98 115.391 115.391 117.574 -2.183 19699 3866 1 6 . 1 1 98 98 THR C C 98 175.591 175.591 175.265 0.326 19699 3867 1 6 . 1 1 98 98 THR CA C 98 61.477 61.477 62.654 -1.177 19699 3868 1 6 . 1 1 98 98 THR CB C 98 68.670 68.670 68.866 -0.196 19699 3869 1 6 . 1 1 98 98 THR H H 98 8.722 8.722 8.955 -0.233 19699 3870 1 6 . 1 1 99 99 ASP N N 99 120.196 120.196 121.298 -1.102 19699 3871 1 6 . 1 1 99 99 ASP C C 99 176.485 176.485 177.333 -0.848 19699 3872 1 6 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.554 -1.377 19699 3873 1 6 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.267 0.989 19699 3874 1 6 . 1 1 99 99 ASP H H 99 8.326 8.326 8.193 0.133 19699 3875 1 6 . 1 1 100 100 ASN N N 100 118.377 118.377 118.355 0.022 19699 3876 1 6 . 1 1 100 100 ASN C C 100 176.916 176.916 176.626 0.290 19699 3877 1 6 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.499 -1.731 19699 3878 1 6 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.050 -1.103 19699 3879 1 6 . 1 1 100 100 ASN H H 100 7.905 7.905 8.079 -0.174 19699 3880 1 6 . 1 1 101 101 GLY N N 101 110.470 110.470 104.761 5.709 19699 3881 1 6 . 1 1 101 101 GLY C C 101 173.824 173.824 174.624 -0.800 19699 3882 1 6 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.385 0.073 19699 3883 1 6 . 1 1 101 101 GLY H H 101 8.450 8.450 8.671 -0.221 19699 3884 1 6 . 1 1 102 102 ASN N N 102 121.816 121.816 119.299 2.517 19699 3885 1 6 . 1 1 102 102 ASN C C 102 174.402 174.402 175.013 -0.611 19699 3886 1 6 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.194 -0.749 19699 3887 1 6 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.460 2.034 19699 3888 1 6 . 1 1 102 102 ASN H H 102 8.707 8.707 8.334 0.373 19699 3889 1 6 . 1 1 103 103 GLY N N 103 108.784 108.784 106.546 2.238 19699 3890 1 6 . 1 1 103 103 GLY C C 103 174.814 174.814 174.489 0.325 19699 3891 1 6 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.224 1.982 19699 3892 1 6 . 1 1 103 103 GLY H H 103 7.977 7.977 7.711 0.266 19699 3893 1 6 . 1 1 104 104 GLY N N 104 114.736 114.736 112.609 2.127 19699 3894 1 6 . 1 1 104 104 GLY C C 104 174.470 174.470 174.127 0.343 19699 3895 1 6 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.782 0.492 19699 3896 1 6 . 1 1 104 104 GLY H H 104 8.589 8.589 8.529 0.060 19699 3897 1 6 . 1 1 105 105 ASN N N 105 120.001 120.001 119.395 0.606 19699 3898 1 6 . 1 1 105 105 ASN C C 105 171.914 171.914 173.050 -1.136 19699 3899 1 6 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.005 -0.953 19699 3900 1 6 . 1 1 105 105 ASN CB C 105 36.579 36.579 40.355 -3.776 19699 3901 1 6 . 1 1 105 105 ASN H H 105 7.561 7.561 7.519 0.042 19699 3902 1 6 . 1 1 106 106 LEU N N 106 122.396 122.396 122.125 0.271 19699 3903 1 6 . 1 1 106 106 LEU C C 106 175.196 175.196 174.501 0.695 19699 3904 1 6 . 1 1 106 106 LEU CA C 106 52.957 52.957 52.995 -0.037 19699 3905 1 6 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.262 -1.521 19699 3906 1 6 . 1 1 106 106 LEU H H 106 7.775 7.775 7.452 0.323 19699 3907 1 6 . 1 1 107 107 TYR N N 107 123.722 123.722 125.767 -2.045 19699 3908 1 6 . 1 1 107 107 TYR C C 107 175.955 175.955 175.730 0.225 19699 3909 1 6 . 1 1 107 107 TYR CA C 107 55.879 55.879 56.549 -0.670 19699 3910 1 6 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.335 0.227 19699 3911 1 6 . 1 1 107 107 TYR H H 107 9.210 9.210 9.035 0.175 19699 3912 1 6 . 1 1 108 108 VAL N N 108 121.472 121.472 123.869 -2.397 19699 3913 1 6 . 1 1 108 108 VAL C C 108 177.065 177.065 175.159 1.906 19699 3914 1 6 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.716 -0.681 19699 3915 1 6 . 1 1 108 108 VAL CB C 108 32.041 32.041 32.732 -0.691 19699 3916 1 6 . 1 1 108 108 VAL H H 108 8.991 8.991 8.700 0.291 19699 3917 1 6 . 1 1 109 109 TYR N N 109 129.064 129.064 127.831 1.233 19699 3918 1 6 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.627 0.560 19699 3919 1 6 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.362 -1.139 19699 3920 1 6 . 1 1 109 109 TYR H H 109 9.242 9.242 8.352 0.890 19699 3921 1 6 . 1 1 110 110 PRO C C 110 176.067 176.067 177.355 -1.288 19699 3922 1 6 . 1 1 111 111 ASN N N 111 112.749 112.749 114.659 -1.910 19699 3923 1 6 . 1 1 111 111 ASN C C 111 175.296 175.296 175.144 0.152 19699 3924 1 6 . 1 1 111 111 ASN CA C 111 52.972 52.972 54.176 -1.204 19699 3925 1 6 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.066 -1.561 19699 3926 1 6 . 1 1 111 111 ASN H H 111 8.031 8.031 8.492 -0.461 19699 3927 1 6 . 1 1 112 112 ALA N N 112 124.990 124.990 123.171 1.819 19699 3928 1 6 . 1 1 112 112 ALA C C 112 178.295 178.295 177.130 1.165 19699 3929 1 6 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.929 0.282 19699 3930 1 6 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.509 -0.818 19699 3931 1 6 . 1 1 112 112 ALA H H 112 7.678 7.678 7.536 0.142 19699 3932 1 6 . 1 1 113 113 THR N N 113 116.898 116.898 117.691 -0.793 19699 3933 1 6 . 1 1 113 113 THR C C 113 175.601 175.601 175.927 -0.326 19699 3934 1 6 . 1 1 113 113 THR CA C 113 63.391 63.391 63.751 -0.360 19699 3935 1 6 . 1 1 113 113 THR CB C 113 69.220 69.220 69.389 -0.169 19699 3936 1 6 . 1 1 113 113 THR H H 113 8.530 8.530 8.452 0.078 19699 3937 1 6 . 1 1 114 114 THR N N 114 122.908 122.908 123.237 -0.329 19699 3938 1 6 . 1 1 114 114 THR C C 114 175.178 175.178 177.025 -1.847 19699 3939 1 6 . 1 1 114 114 THR CA C 114 63.941 63.941 67.145 -3.204 19699 3940 1 6 . 1 1 114 114 THR CB C 114 68.628 68.628 68.791 -0.163 19699 3941 1 6 . 1 1 114 114 THR H H 114 8.530 8.530 8.652 -0.122 19699 3942 1 6 . 1 1 115 115 GLY N N 115 114.662 114.662 109.632 5.030 19699 3943 1 6 . 1 1 115 115 GLY C C 115 175.853 175.853 176.352 -0.499 19699 3944 1 6 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.963 -1.903 19699 3945 1 6 . 1 1 115 115 GLY H H 115 8.822 8.822 8.448 0.374 19699 3946 1 6 . 1 1 116 116 SER N N 116 118.029 118.029 117.592 0.437 19699 3947 1 6 . 1 1 116 116 SER C C 116 176.740 176.740 176.402 0.338 19699 3948 1 6 . 1 1 116 116 SER CA C 116 61.370 61.370 60.442 0.928 19699 3949 1 6 . 1 1 116 116 SER CB C 116 62.652 62.652 62.261 0.391 19699 3950 1 6 . 1 1 116 116 SER H H 116 8.138 8.138 8.356 -0.218 19699 3951 1 6 . 1 1 117 117 ALA N N 117 124.981 124.981 124.873 0.108 19699 3952 1 6 . 1 1 117 117 ALA C C 117 178.629 178.629 179.659 -1.030 19699 3953 1 6 . 1 1 117 117 ALA CA C 117 54.730 54.730 54.921 -0.191 19699 3954 1 6 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.428 -1.135 19699 3955 1 6 . 1 1 117 117 ALA H H 117 8.787 8.787 7.696 1.091 19699 3956 1 6 . 1 1 118 118 ASP N N 118 115.338 115.338 116.470 -1.132 19699 3957 1 6 . 1 1 118 118 ASP C C 118 176.339 176.339 176.947 -0.608 19699 3958 1 6 . 1 1 118 118 ASP CA C 118 55.247 55.247 55.892 -0.645 19699 3959 1 6 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.880 -0.626 19699 3960 1 6 . 1 1 118 118 ASP H H 118 7.937 7.937 7.963 -0.026 19699 3961 1 6 . 1 1 119 119 SER N N 119 115.239 115.239 113.982 1.257 19699 3962 1 6 . 1 1 119 119 SER C C 119 173.992 173.992 174.130 -0.138 19699 3963 1 6 . 1 1 119 119 SER CA C 119 57.490 57.490 57.574 -0.084 19699 3964 1 6 . 1 1 119 119 SER CB C 119 64.406 64.406 63.898 0.508 19699 3965 1 6 . 1 1 119 119 SER H H 119 7.831 7.831 7.938 -0.107 19699 3966 1 6 . 1 1 120 120 VAL N N 120 124.259 124.259 125.147 -0.888 19699 3967 1 6 . 1 1 120 120 VAL C C 120 175.395 175.395 175.942 -0.547 19699 3968 1 6 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.703 -1.571 19699 3969 1 6 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.247 -0.955 19699 3970 1 6 . 1 1 120 120 VAL H H 120 7.360 7.360 7.207 0.153 19699 3971 1 6 . 1 1 121 121 ARG N N 121 129.213 129.213 124.776 4.437 19699 3972 1 6 . 1 1 121 121 ARG C C 121 174.280 174.280 173.878 0.402 19699 3973 1 6 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.801 2.221 19699 3974 1 6 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.557 -1.254 19699 3975 1 6 . 1 1 121 121 ARG H H 121 9.752 9.752 8.890 0.862 19699 3976 1 6 . 1 1 122 122 CYS N N 122 119.036 119.036 122.025 -2.989 19699 3977 1 6 . 1 1 122 122 CYS C C 122 174.282 174.282 173.396 0.886 19699 3978 1 6 . 1 1 122 122 CYS CA C 122 54.809 54.809 56.638 -1.829 19699 3979 1 6 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.902 18.361 19699 3980 1 6 . 1 1 122 122 CYS H H 122 8.568 8.568 8.511 0.057 19699 3981 1 6 . 1 1 123 123 ARG N N 123 124.532 124.532 127.914 -3.382 19699 3982 1 6 . 1 1 123 123 ARG C C 123 175.100 175.100 174.713 0.387 19699 3983 1 6 . 1 1 123 123 ARG CA C 123 55.158 55.158 54.932 0.226 19699 3984 1 6 . 1 1 123 123 ARG CB C 123 30.910 30.910 31.453 -0.543 19699 3985 1 6 . 1 1 123 123 ARG H H 123 9.099 9.099 8.801 0.298 19699 3986 1 6 . 1 1 124 124 LEU N N 124 132.168 132.168 125.675 6.493 19699 3987 1 6 . 1 1 124 124 LEU C C 124 173.758 173.758 174.811 -1.053 19699 3988 1 6 . 1 1 124 124 LEU H H 124 10.076 10.076 9.051 1.025 19699 3989 1 6 . 1 1 125 125 ARG N N 125 128.271 128.271 128.737 -0.466 19699 3990 1 6 . 1 1 125 125 ARG C C 125 175.505 175.505 174.393 1.112 19699 3991 1 6 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.101 -0.500 19699 3992 1 6 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.930 -2.131 19699 3993 1 6 . 1 1 125 125 ARG H H 125 9.086 9.086 9.113 -0.027 19699 3994 1 6 . 1 1 126 126 MET N N 126 108.020 108.020 128.092 -20.072 19699 3995 1 6 . 1 1 126 126 MET C C 126 174.911 174.911 173.847 1.064 19699 3996 1 6 . 1 1 126 126 MET CA C 126 54.118 54.118 54.437 -0.319 19699 3997 1 6 . 1 1 126 126 MET CB C 126 33.459 33.459 35.832 -2.373 19699 3998 1 6 . 1 1 126 126 MET H H 126 9.003 9.003 8.801 0.202 19699 3999 1 6 . 1 1 127 127 CYS N N 127 126.794 126.794 126.402 0.392 19699 4000 1 6 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.776 -3.591 19699 4001 1 6 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.180 20.082 19699 4002 1 6 . 1 1 127 127 CYS H H 127 8.849 8.849 8.565 0.284 19699 4003 1 6 . 1 1 128 128 PRO C C 128 174.880 174.880 175.155 -0.275 19699 4004 1 6 . 1 1 129 129 TRP N N 129 118.064 118.064 123.260 -5.196 19699 4005 1 6 . 1 1 129 129 TRP C C 129 173.252 173.252 176.276 -3.024 19699 4006 1 6 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.727 -0.392 19699 4007 1 6 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.717 -0.671 19699 4008 1 6 . 1 1 129 129 TRP H H 129 7.775 7.775 8.502 -0.727 19699 4009 1 6 . 1 1 130 130 THR N N 130 112.900 112.900 114.207 -1.307 19699 4010 1 6 . 1 1 130 130 THR C C 130 172.690 172.690 173.983 -1.293 19699 4011 1 6 . 1 1 130 130 THR CA C 130 58.923 58.923 59.349 -0.426 19699 4012 1 6 . 1 1 130 130 THR CB C 130 69.380 69.380 70.593 -1.213 19699 4013 1 6 . 1 1 130 130 THR H H 130 8.810 8.810 8.715 0.095 19699 4014 1 6 . 1 1 131 131 SER N N 131 122.448 122.448 116.898 5.550 19699 4015 1 6 . 1 1 131 131 SER C C 131 174.399 174.399 174.124 0.275 19699 4016 1 6 . 1 1 131 131 SER CA C 131 58.582 58.582 57.687 0.895 19699 4017 1 6 . 1 1 131 131 SER CB C 131 63.356 63.356 64.037 -0.681 19699 4018 1 6 . 1 1 131 131 SER H H 131 8.898 8.898 8.684 0.214 19699 4019 1 6 . 1 1 132 132 ASN N N 132 124.196 124.196 121.997 2.199 19699 4020 1 6 . 1 1 132 132 ASN C C 132 175.577 175.577 176.016 -0.439 19699 4021 1 6 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.874 0.293 19699 4022 1 6 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.687 -0.616 19699 4023 1 6 . 1 1 132 132 ASN H H 132 8.785 8.785 7.548 1.237 19699 4024 1 6 . 1 1 133 133 SER N N 133 120.691 120.691 122.641 -1.950 19699 4025 1 6 . 1 1 133 133 SER C C 133 174.574 174.574 175.514 -0.940 19699 4026 1 6 . 1 1 133 133 SER CA C 133 59.820 59.820 59.998 -0.179 19699 4027 1 6 . 1 1 133 133 SER CB C 133 62.342 62.342 62.977 -0.635 19699 4028 1 6 . 1 1 133 133 SER H H 133 8.580 8.580 8.590 -0.010 19699 4029 1 6 . 1 1 134 134 LYS N N 134 119.450 119.450 119.641 -0.191 19699 4030 1 6 . 1 1 134 134 LYS C C 134 176.698 176.698 175.530 1.168 19699 4031 1 6 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.042 -0.355 19699 4032 1 6 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.791 -1.431 19699 4033 1 6 . 1 1 134 134 LYS H H 134 7.904 7.904 8.330 -0.426 19699 4034 1 6 . 1 1 135 135 MET N N 135 121.695 121.695 120.685 1.010 19699 4035 1 6 . 1 1 135 135 MET C C 135 175.354 175.354 175.071 0.283 19699 4036 1 6 . 1 1 135 135 MET CA C 135 55.498 55.498 55.269 0.229 19699 4037 1 6 . 1 1 135 135 MET CB C 135 33.295 33.295 33.896 -0.601 19699 4038 1 6 . 1 1 135 135 MET H H 135 7.343 7.343 7.565 -0.222 19699 4039 1 6 . 1 1 136 136 THR N N 136 114.220 114.220 115.359 -1.139 19699 4040 1 6 . 1 1 136 136 THR C C 136 173.806 173.806 173.157 0.649 19699 4041 1 6 . 1 1 136 136 THR CA C 136 61.228 61.228 61.193 0.035 19699 4042 1 6 . 1 1 136 136 THR CB C 136 69.201 69.201 69.986 -0.785 19699 4043 1 6 . 1 1 136 136 THR H H 136 8.633 8.633 8.423 0.210 19699 4044 1 6 . 1 1 137 137 ALA N N 137 125.205 125.205 122.057 3.148 19699 4045 1 6 . 1 1 137 137 ALA C C 137 173.600 173.600 174.981 -1.381 19699 4046 1 6 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.083 -0.241 19699 4047 1 6 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.758 -1.630 19699 4048 1 6 . 1 1 137 137 ALA H H 137 7.637 7.637 7.343 0.294 19699 4049 1 6 . 1 1 138 138 PRO C C 138 175.117 175.117 175.817 -0.700 19699 4050 1 6 . 1 1 139 139 ASP N N 139 121.528 121.528 120.491 1.037 19699 4051 1 6 . 1 1 139 139 ASP C C 139 174.966 174.966 177.028 -2.062 19699 4052 1 6 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.030 -0.453 19699 4053 1 6 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.458 -0.715 19699 4054 1 6 . 1 1 139 139 ASP H H 139 7.299 7.299 8.067 -0.768 19699 4055 1 6 . 1 1 140 140 GLU N N 140 118.631 118.631 119.833 -1.202 19699 4056 1 6 . 1 1 140 140 GLU C C 140 178.914 178.914 178.406 0.508 19699 4057 1 6 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.430 -0.624 19699 4058 1 6 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.691 -1.173 19699 4059 1 6 . 1 1 140 140 GLU H H 140 8.524 8.524 8.671 -0.147 19699 4060 1 6 . 1 1 141 141 GLU N N 141 119.900 119.900 119.200 0.700 19699 4061 1 6 . 1 1 141 141 GLU C C 141 178.162 178.162 179.014 -0.852 19699 4062 1 6 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.365 -0.716 19699 4063 1 6 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.305 -0.898 19699 4064 1 6 . 1 1 141 141 GLU H H 141 8.116 8.116 8.477 -0.361 19699 4065 1 6 . 1 1 142 142 MET N N 142 121.303 121.303 118.364 2.939 19699 4066 1 6 . 1 1 142 142 MET C C 142 178.689 178.689 178.675 0.014 19699 4067 1 6 . 1 1 142 142 MET CA C 142 59.370 59.370 59.809 -0.439 19699 4068 1 6 . 1 1 142 142 MET CB C 142 33.252 33.252 32.810 0.442 19699 4069 1 6 . 1 1 142 142 MET H H 142 7.989 7.989 9.012 -1.023 19699 4070 1 6 . 1 1 143 143 LEU N N 143 117.901 117.901 119.247 -1.346 19699 4071 1 6 . 1 1 143 143 LEU C C 143 180.619 180.619 178.458 2.161 19699 4072 1 6 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.630 0.183 19699 4073 1 6 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.572 -1.304 19699 4074 1 6 . 1 1 143 143 LEU H H 143 8.485 8.485 8.239 0.246 19699 4075 1 6 . 1 1 144 144 ARG N N 144 120.175 120.175 117.015 3.160 19699 4076 1 6 . 1 1 144 144 ARG C C 144 180.648 180.648 178.841 1.807 19699 4077 1 6 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.593 -0.343 19699 4078 1 6 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.290 -1.365 19699 4079 1 6 . 1 1 144 144 ARG H H 144 7.900 7.900 8.233 -0.333 19699 4080 1 6 . 1 1 145 145 LYS N N 145 119.936 119.936 118.959 0.977 19699 4081 1 6 . 1 1 145 145 LYS C C 145 178.813 178.813 178.903 -0.090 19699 4082 1 6 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.070 -0.446 19699 4083 1 6 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.450 -0.387 19699 4084 1 6 . 1 1 145 145 LYS H H 145 7.850 7.850 7.994 -0.144 19699 4085 1 6 . 1 1 146 146 MET N N 146 115.986 115.986 117.987 -2.001 19699 4086 1 6 . 1 1 146 146 MET C C 146 176.094 176.094 176.429 -0.335 19699 4087 1 6 . 1 1 146 146 MET CA C 146 55.267 55.267 55.715 -0.448 19699 4088 1 6 . 1 1 146 146 MET CB C 146 32.898 32.898 32.870 0.028 19699 4089 1 6 . 1 1 146 146 MET H H 146 7.776 7.776 8.196 -0.420 19699 4090 1 6 . 1 1 147 147 SER N N 147 119.679 119.679 116.389 3.290 19699 4091 1 6 . 1 1 147 147 SER C C 147 175.114 175.114 176.147 -1.033 19699 4092 1 6 . 1 1 147 147 SER CA C 147 62.736 62.736 61.960 0.776 19699 4093 1 6 . 1 1 147 147 SER CB C 147 62.105 62.105 63.014 -0.909 19699 4094 1 6 . 1 1 147 147 SER H H 147 7.430 7.430 7.740 -0.310 19699 4095 1 6 . 1 1 148 148 GLU N N 148 117.968 117.968 120.566 -2.598 19699 4096 1 6 . 1 1 148 148 GLU C C 148 179.313 179.313 177.688 1.625 19699 4097 1 6 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.668 0.407 19699 4098 1 6 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.447 0.091 19699 4099 1 6 . 1 1 148 148 GLU H H 148 9.216 9.216 8.302 0.914 19699 4100 1 6 . 1 1 149 149 VAL N N 149 115.349 115.349 110.008 5.341 19699 4101 1 6 . 1 1 149 149 VAL C C 149 176.790 176.790 178.113 -1.323 19699 4102 1 6 . 1 1 149 149 VAL CA C 149 63.864 63.864 62.927 0.937 19699 4103 1 6 . 1 1 149 149 VAL H H 149 7.325 7.325 7.494 -0.169 19699 4104 1 6 . 1 1 150 150 LEU N N 150 119.724 119.724 121.465 -1.741 19699 4105 1 6 . 1 1 150 150 LEU C C 150 178.010 178.010 177.598 0.412 19699 4106 1 6 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.249 -0.040 19699 4107 1 6 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.699 -2.273 19699 4108 1 6 . 1 1 150 150 LEU H H 150 7.387 7.387 8.271 -0.883 19699 4109 1 6 . 1 1 151 151 ASN N N 151 112.853 112.853 116.423 -3.570 19699 4110 1 6 . 1 1 151 151 ASN C C 151 176.682 176.682 174.559 2.123 19699 4111 1 6 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.335 -0.245 19699 4112 1 6 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.442 -0.146 19699 4113 1 6 . 1 1 151 151 ASN H H 151 7.593 7.593 7.624 -0.031 19699 4114 1 6 . 1 1 152 152 LEU N N 152 122.057 122.057 122.387 -0.330 19699 4115 1 6 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.490 0.963 19699 4116 1 6 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.695 -2.106 19699 4117 1 6 . 1 1 152 152 LEU H H 152 7.193 7.193 7.374 -0.181 19699 4118 1 6 . 1 1 153 153 PRO C C 153 177.670 177.670 175.626 2.044 19699 4119 1 6 . 1 1 154 154 ASN N N 154 121.894 121.894 119.520 2.374 19699 4120 1 6 . 1 1 154 154 ASN C C 154 176.786 176.786 174.645 2.141 19699 4121 1 6 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.309 -0.552 19699 4122 1 6 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.163 -1.334 19699 4123 1 6 . 1 1 154 154 ASN H H 154 8.824 8.824 8.411 0.413 19699 4124 1 6 . 1 1 155 155 TYR N N 155 124.386 124.386 124.647 -0.261 19699 4125 1 6 . 1 1 155 155 TYR C C 155 173.048 173.048 174.700 -1.652 19699 4126 1 6 . 1 1 155 155 TYR CA C 155 55.723 55.723 57.861 -2.138 19699 4127 1 6 . 1 1 155 155 TYR CB C 155 39.711 39.711 42.098 -2.387 19699 4128 1 6 . 1 1 155 155 TYR H H 155 8.245 8.245 8.095 0.150 19699 4129 1 7 . 1 1 2 2 HIS N N 2 122.591 122.591 121.510 1.081 19699 4130 1 7 . 1 1 2 2 HIS C C 2 174.514 174.514 174.629 -0.115 19699 4131 1 7 . 1 1 2 2 HIS CA C 2 54.301 54.301 54.788 -0.487 19699 4132 1 7 . 1 1 2 2 HIS CB C 2 28.454 28.454 30.668 -2.214 19699 4133 1 7 . 1 1 2 2 HIS H H 2 8.695 8.695 8.928 -0.233 19699 4134 1 7 . 1 1 3 3 SER N N 3 120.223 120.223 119.321 0.902 19699 4135 1 7 . 1 1 3 3 SER C C 3 175.623 175.623 174.954 0.669 19699 4136 1 7 . 1 1 3 3 SER CA C 3 58.703 58.703 58.685 0.018 19699 4137 1 7 . 1 1 3 3 SER CB C 3 63.275 63.275 63.739 -0.464 19699 4138 1 7 . 1 1 3 3 SER H H 3 8.797 8.797 9.052 -0.255 19699 4139 1 7 . 1 1 4 4 LEU N N 4 126.300 126.300 126.839 -0.539 19699 4140 1 7 . 1 1 4 4 LEU C C 4 175.677 175.677 176.296 -0.619 19699 4141 1 7 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.779 -0.730 19699 4142 1 7 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.661 -0.054 19699 4143 1 7 . 1 1 4 4 LEU H H 4 8.332 8.332 8.872 -0.540 19699 4144 1 7 . 1 1 5 5 GLY N N 5 108.289 108.289 106.697 1.592 19699 4145 1 7 . 1 1 5 5 GLY C C 5 171.743 171.743 172.141 -0.398 19699 4146 1 7 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.151 -0.501 19699 4147 1 7 . 1 1 5 5 GLY H H 5 7.737 7.737 7.647 0.090 19699 4148 1 7 . 1 1 6 6 CYS N N 6 112.366 112.366 119.802 -7.436 19699 4149 1 7 . 1 1 6 6 CYS C C 6 172.715 172.715 174.032 -1.317 19699 4150 1 7 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.763 -3.039 19699 4151 1 7 . 1 1 6 6 CYS CB C 6 48.588 48.588 29.839 18.749 19699 4152 1 7 . 1 1 6 6 CYS H H 6 7.688 7.688 8.037 -0.349 19699 4153 1 7 . 1 1 7 7 TYR N N 7 122.399 122.399 119.941 2.458 19699 4154 1 7 . 1 1 7 7 TYR C C 7 174.024 174.024 174.293 -0.269 19699 4155 1 7 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.069 0.584 19699 4156 1 7 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.625 -2.103 19699 4157 1 7 . 1 1 7 7 TYR H H 7 8.733 8.733 8.870 -0.137 19699 4158 1 7 . 1 1 8 8 PHE N N 8 123.806 123.806 122.188 1.618 19699 4159 1 7 . 1 1 8 8 PHE C C 8 175.708 175.708 175.515 0.193 19699 4160 1 7 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.670 0.038 19699 4161 1 7 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.888 -1.313 19699 4162 1 7 . 1 1 8 8 PHE H H 8 9.088 9.088 8.979 0.109 19699 4163 1 7 . 1 1 9 9 LYS N N 9 121.663 121.663 123.194 -1.531 19699 4164 1 7 . 1 1 9 9 LYS C C 9 176.024 176.024 175.504 0.520 19699 4165 1 7 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.853 -2.465 19699 4166 1 7 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.727 0.834 19699 4167 1 7 . 1 1 9 9 LYS H H 9 9.284 9.284 9.015 0.269 19699 4168 1 7 . 1 1 10 10 GLY N N 10 109.739 109.739 108.218 1.521 19699 4169 1 7 . 1 1 10 10 GLY C C 10 172.722 172.722 173.595 -0.873 19699 4170 1 7 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.848 0.354 19699 4171 1 7 . 1 1 10 10 GLY H H 10 8.755 8.755 8.498 0.257 19699 4172 1 7 . 1 1 11 11 ILE N N 11 122.761 122.761 124.216 -1.455 19699 4173 1 7 . 1 1 11 11 ILE C C 11 174.106 174.106 174.826 -0.720 19699 4174 1 7 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.235 -0.123 19699 4175 1 7 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.316 1.429 19699 4176 1 7 . 1 1 11 11 ILE H H 11 8.212 8.212 8.853 -0.641 19699 4177 1 7 . 1 1 12 12 ASN N N 12 127.675 127.675 126.695 0.980 19699 4178 1 7 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.267 -0.528 19699 4179 1 7 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.497 -0.912 19699 4180 1 7 . 1 1 12 12 ASN H H 12 9.050 9.050 8.787 0.263 19699 4181 1 7 . 1 1 13 13 PRO C C 13 176.450 176.450 176.466 -0.016 19699 4182 1 7 . 1 1 14 14 THR N N 14 115.695 115.695 118.242 -2.547 19699 4183 1 7 . 1 1 14 14 THR C C 14 173.172 173.172 173.778 -0.606 19699 4184 1 7 . 1 1 14 14 THR CA C 14 59.908 59.908 61.996 -2.088 19699 4185 1 7 . 1 1 14 14 THR CB C 14 70.727 70.727 71.180 -0.453 19699 4186 1 7 . 1 1 14 14 THR H H 14 9.320 9.320 8.477 0.843 19699 4187 1 7 . 1 1 15 15 LYS N N 15 123.952 123.952 128.341 -4.389 19699 4188 1 7 . 1 1 15 15 LYS C C 15 177.147 177.147 175.607 1.540 19699 4189 1 7 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.779 -0.093 19699 4190 1 7 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.360 -1.396 19699 4191 1 7 . 1 1 15 15 LYS H H 15 8.534 8.534 8.680 -0.146 19699 4192 1 7 . 1 1 16 16 VAL N N 16 129.976 129.976 127.814 2.162 19699 4193 1 7 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.658 0.286 19699 4194 1 7 . 1 1 16 16 VAL CB C 16 32.014 32.014 34.362 -2.348 19699 4195 1 7 . 1 1 16 16 VAL H H 16 8.836 8.836 8.831 0.005 19699 4196 1 7 . 1 1 17 17 PRO C C 17 176.397 176.397 176.013 0.384 19699 4197 1 7 . 1 1 18 18 SER N N 18 117.885 117.885 115.294 2.591 19699 4198 1 7 . 1 1 18 18 SER C C 18 174.516 174.516 175.108 -0.592 19699 4199 1 7 . 1 1 18 18 SER CA C 18 56.695 56.695 57.282 -0.587 19699 4200 1 7 . 1 1 18 18 SER CB C 18 64.232 64.232 64.424 -0.192 19699 4201 1 7 . 1 1 18 18 SER H H 18 8.303 8.303 7.888 0.415 19699 4202 1 7 . 1 1 19 19 SER N N 19 120.346 120.346 118.037 2.309 19699 4203 1 7 . 1 1 19 19 SER C C 19 173.829 173.829 174.854 -1.025 19699 4204 1 7 . 1 1 19 19 SER CA C 19 58.080 58.080 59.447 -1.367 19699 4205 1 7 . 1 1 19 19 SER CB C 19 62.659 62.659 63.173 -0.514 19699 4206 1 7 . 1 1 19 19 SER H H 19 8.679 8.679 8.557 0.122 19699 4207 1 7 . 1 1 20 20 ASP N N 20 126.377 126.377 124.192 2.185 19699 4208 1 7 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.613 -0.229 19699 4209 1 7 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.850 0.685 19699 4210 1 7 . 1 1 20 20 ASP H H 20 8.247 8.247 7.660 0.587 19699 4211 1 7 . 1 1 21 21 PRO C C 21 177.616 177.616 175.125 2.491 19699 4212 1 7 . 1 1 22 22 ARG N N 22 119.127 119.127 116.471 2.656 19699 4213 1 7 . 1 1 22 22 ARG C C 22 175.307 175.307 174.092 1.215 19699 4214 1 7 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.484 -0.070 19699 4215 1 7 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.683 -2.878 19699 4216 1 7 . 1 1 22 22 ARG H H 22 8.692 8.692 7.956 0.736 19699 4217 1 7 . 1 1 23 23 THR N N 23 120.270 120.270 111.730 8.540 19699 4218 1 7 . 1 1 23 23 THR C C 23 172.509 172.509 173.542 -1.033 19699 4219 1 7 . 1 1 23 23 THR CA C 23 63.089 63.089 59.409 3.680 19699 4220 1 7 . 1 1 23 23 THR CB C 23 69.254 69.254 71.907 -2.653 19699 4221 1 7 . 1 1 23 23 THR H H 23 8.265 8.265 8.323 -0.058 19699 4222 1 7 . 1 1 24 24 VAL N N 24 129.461 129.461 122.385 7.076 19699 4223 1 7 . 1 1 24 24 VAL C C 24 174.663 174.663 174.669 -0.006 19699 4224 1 7 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.099 -0.115 19699 4225 1 7 . 1 1 24 24 VAL CB C 24 31.604 31.604 33.415 -1.811 19699 4226 1 7 . 1 1 24 24 VAL H H 24 8.992 8.992 8.507 0.485 19699 4227 1 7 . 1 1 25 25 LEU N N 25 126.449 126.449 129.276 -2.827 19699 4228 1 7 . 1 1 25 25 LEU C C 25 174.669 174.669 175.870 -1.201 19699 4229 1 7 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.364 -1.117 19699 4230 1 7 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.111 2.051 19699 4231 1 7 . 1 1 25 25 LEU H H 25 9.281 9.281 8.825 0.456 19699 4232 1 7 . 1 1 26 26 LYS N N 26 120.574 120.574 123.441 -2.867 19699 4233 1 7 . 1 1 26 26 LYS C C 26 175.637 175.637 175.343 0.294 19699 4234 1 7 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.271 -1.606 19699 4235 1 7 . 1 1 26 26 LYS CB C 26 36.820 36.820 34.457 2.363 19699 4236 1 7 . 1 1 26 26 LYS H H 26 8.832 8.832 8.774 0.058 19699 4237 1 7 . 1 1 27 27 CYS N N 27 126.079 126.079 126.853 -0.774 19699 4238 1 7 . 1 1 27 27 CYS C C 27 172.527 172.527 174.099 -1.572 19699 4239 1 7 . 1 1 27 27 CYS CA C 27 52.428 52.428 57.623 -5.195 19699 4240 1 7 . 1 1 27 27 CYS CB C 27 44.628 44.628 25.820 18.808 19699 4241 1 7 . 1 1 27 27 CYS H H 27 8.709 8.709 8.932 -0.223 19699 4242 1 7 . 1 1 28 28 THR N N 28 122.887 122.887 122.798 0.089 19699 4243 1 7 . 1 1 28 28 THR C C 28 172.844 172.844 173.711 -0.867 19699 4244 1 7 . 1 1 28 28 THR CA C 28 64.228 64.228 63.873 0.355 19699 4245 1 7 . 1 1 28 28 THR CB C 28 68.222 68.222 69.383 -1.161 19699 4246 1 7 . 1 1 28 28 THR H H 28 8.086 8.086 8.472 -0.386 19699 4247 1 7 . 1 1 29 29 LEU N N 29 127.761 127.761 129.137 -1.376 19699 4248 1 7 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.946 -1.585 19699 4249 1 7 . 1 1 29 29 LEU CB C 29 39.791 39.791 42.490 -2.699 19699 4250 1 7 . 1 1 29 29 LEU H H 29 8.452 8.452 8.243 0.209 19699 4251 1 7 . 1 1 30 30 PRO C C 30 174.451 174.451 176.152 -1.701 19699 4252 1 7 . 1 1 31 31 ASP N N 31 120.693 120.693 122.706 -2.013 19699 4253 1 7 . 1 1 31 31 ASP C C 31 175.442 175.442 175.337 0.105 19699 4254 1 7 . 1 1 31 31 ASP CA C 31 52.922 52.922 54.211 -1.289 19699 4255 1 7 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.520 -1.275 19699 4256 1 7 . 1 1 31 31 ASP H H 31 8.380 8.380 8.664 -0.284 19699 4257 1 7 . 1 1 32 32 VAL N N 32 127.962 127.962 123.317 4.645 19699 4258 1 7 . 1 1 32 32 VAL C C 32 173.841 173.841 175.588 -1.747 19699 4259 1 7 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.537 -0.569 19699 4260 1 7 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.323 0.079 19699 4261 1 7 . 1 1 32 32 VAL H H 32 7.195 7.195 7.896 -0.701 19699 4262 1 7 . 1 1 33 33 LYS N N 33 127.967 127.967 129.873 -1.906 19699 4263 1 7 . 1 1 33 33 LYS C C 33 176.805 176.805 175.178 1.627 19699 4264 1 7 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.685 -0.927 19699 4265 1 7 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.474 -1.401 19699 4266 1 7 . 1 1 33 33 LYS H H 33 8.375 8.375 8.755 -0.380 19699 4267 1 7 . 1 1 34 34 VAL N N 34 110.772 110.772 120.429 -9.657 19699 4268 1 7 . 1 1 34 34 VAL C C 34 174.766 174.766 174.345 0.421 19699 4269 1 7 . 1 1 34 34 VAL CA C 34 56.939 56.939 60.370 -3.430 19699 4270 1 7 . 1 1 34 34 VAL CB C 34 34.674 34.674 36.372 -1.698 19699 4271 1 7 . 1 1 34 34 VAL H H 34 6.445 6.445 7.463 -1.018 19699 4272 1 7 . 1 1 35 35 ASN N N 35 123.757 123.757 124.257 -0.500 19699 4273 1 7 . 1 1 35 35 ASN C C 35 173.218 173.218 173.853 -0.635 19699 4274 1 7 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.206 0.430 19699 4275 1 7 . 1 1 35 35 ASN CB C 35 36.128 36.128 37.170 -1.042 19699 4276 1 7 . 1 1 35 35 ASN H H 35 8.723 8.723 8.803 -0.080 19699 4277 1 7 . 1 1 36 36 ALA N N 36 124.355 124.355 126.315 -1.960 19699 4278 1 7 . 1 1 36 36 ALA C C 36 175.731 175.731 175.455 0.276 19699 4279 1 7 . 1 1 36 36 ALA H H 36 7.176 7.176 8.116 -0.940 19699 4280 1 7 . 1 1 37 37 SER N N 37 116.842 116.842 116.010 0.832 19699 4281 1 7 . 1 1 37 37 SER C C 37 173.137 173.137 174.175 -1.038 19699 4282 1 7 . 1 1 37 37 SER CA C 37 56.592 56.592 56.745 -0.153 19699 4283 1 7 . 1 1 37 37 SER CB C 37 65.760 65.760 64.144 1.616 19699 4284 1 7 . 1 1 37 37 SER H H 37 8.185 8.185 8.594 -0.409 19699 4285 1 7 . 1 1 38 38 TRP N N 38 123.519 123.519 129.642 -6.123 19699 4286 1 7 . 1 1 38 38 TRP C C 38 174.100 174.100 176.334 -2.234 19699 4287 1 7 . 1 1 38 38 TRP CA C 38 54.834 54.834 54.943 -0.109 19699 4288 1 7 . 1 1 38 38 TRP CB C 38 28.594 28.594 30.764 -2.170 19699 4289 1 7 . 1 1 38 38 TRP H H 38 8.895 8.895 8.943 -0.048 19699 4290 1 7 . 1 1 39 39 THR N N 39 120.476 120.476 121.012 -0.536 19699 4291 1 7 . 1 1 39 39 THR C C 39 174.400 174.400 173.589 0.811 19699 4292 1 7 . 1 1 39 39 THR CA C 39 61.580 61.580 61.877 -0.297 19699 4293 1 7 . 1 1 39 39 THR CB C 39 70.182 70.182 70.516 -0.334 19699 4294 1 7 . 1 1 39 39 THR H H 39 9.073 9.073 9.196 -0.123 19699 4295 1 7 . 1 1 40 40 LEU N N 40 129.561 129.561 127.851 1.710 19699 4296 1 7 . 1 1 40 40 LEU C C 40 173.008 173.008 175.405 -2.397 19699 4297 1 7 . 1 1 40 40 LEU H H 40 10.036 10.036 9.199 0.837 19699 4298 1 7 . 1 1 41 41 GLU N N 41 126.217 126.217 122.612 3.605 19699 4299 1 7 . 1 1 41 41 GLU C C 41 174.208 174.208 174.881 -0.673 19699 4300 1 7 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.503 -1.352 19699 4301 1 7 . 1 1 41 41 GLU CB C 41 31.092 31.092 34.068 -2.976 19699 4302 1 7 . 1 1 41 41 GLU H H 41 8.504 8.504 8.436 0.068 19699 4303 1 7 . 1 1 42 42 TRP N N 42 131.942 131.942 126.943 4.999 19699 4304 1 7 . 1 1 42 42 TRP C C 42 174.332 174.332 175.985 -1.653 19699 4305 1 7 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.898 -1.814 19699 4306 1 7 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.550 -2.637 19699 4307 1 7 . 1 1 42 42 TRP H H 42 9.446 9.446 9.041 0.405 19699 4308 1 7 . 1 1 43 43 VAL N N 43 127.871 127.871 123.276 4.595 19699 4309 1 7 . 1 1 43 43 VAL C C 43 175.693 175.693 174.998 0.695 19699 4310 1 7 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.013 1.206 19699 4311 1 7 . 1 1 43 43 VAL CB C 43 31.454 31.454 35.116 -3.662 19699 4312 1 7 . 1 1 43 43 VAL H H 43 9.065 9.065 9.376 -0.311 19699 4313 1 7 . 1 1 44 44 VAL N N 44 129.882 129.882 126.516 3.366 19699 4314 1 7 . 1 1 44 44 VAL C C 44 176.740 176.740 176.382 0.358 19699 4315 1 7 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.195 -0.020 19699 4316 1 7 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.056 -3.571 19699 4317 1 7 . 1 1 44 44 VAL H H 44 8.895 8.895 9.033 -0.138 19699 4318 1 7 . 1 1 45 45 VAL N N 45 125.719 125.719 129.686 -3.967 19699 4319 1 7 . 1 1 45 45 VAL C C 45 179.320 179.320 176.512 2.808 19699 4320 1 7 . 1 1 45 45 VAL CA C 45 66.862 66.862 66.018 0.844 19699 4321 1 7 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.074 -0.869 19699 4322 1 7 . 1 1 45 45 VAL H H 45 7.462 7.462 8.365 -0.903 19699 4323 1 7 . 1 1 46 46 ASN N N 46 114.964 114.964 116.136 -1.172 19699 4324 1 7 . 1 1 46 46 ASN C C 46 175.545 175.545 176.029 -0.484 19699 4325 1 7 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.243 -0.433 19699 4326 1 7 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.544 -2.467 19699 4327 1 7 . 1 1 46 46 ASN H H 46 8.550 8.550 7.661 0.889 19699 4328 1 7 . 1 1 47 47 LEU N N 47 117.360 117.360 116.104 1.256 19699 4329 1 7 . 1 1 47 47 LEU C C 47 175.920 175.920 176.405 -0.485 19699 4330 1 7 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.559 -1.293 19699 4331 1 7 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.291 -0.646 19699 4332 1 7 . 1 1 47 47 LEU H H 47 7.023 7.023 7.652 -0.629 19699 4333 1 7 . 1 1 48 48 HIS N N 48 116.042 116.042 115.233 0.809 19699 4334 1 7 . 1 1 48 48 HIS C C 48 172.021 172.021 174.127 -2.106 19699 4335 1 7 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.087 -1.493 19699 4336 1 7 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.808 -0.578 19699 4337 1 7 . 1 1 48 48 HIS H H 48 7.581 7.581 7.742 -0.161 19699 4338 1 7 . 1 1 49 49 THR N N 49 107.923 107.923 111.497 -3.574 19699 4339 1 7 . 1 1 49 49 THR C C 49 171.828 171.828 172.286 -0.458 19699 4340 1 7 . 1 1 49 49 THR CA C 49 58.493 58.493 60.277 -1.784 19699 4341 1 7 . 1 1 49 49 THR CB C 49 68.152 68.152 71.345 -3.193 19699 4342 1 7 . 1 1 49 49 THR H H 49 7.011 7.011 7.803 -0.792 19699 4343 1 7 . 1 1 50 50 SER N N 50 114.393 114.393 115.439 -1.046 19699 4344 1 7 . 1 1 50 50 SER C C 50 172.904 172.904 172.828 0.076 19699 4345 1 7 . 1 1 50 50 SER CA C 50 55.318 55.318 56.732 -1.414 19699 4346 1 7 . 1 1 50 50 SER CB C 50 66.748 66.748 66.534 0.214 19699 4347 1 7 . 1 1 50 50 SER H H 50 8.066 8.066 8.172 -0.106 19699 4348 1 7 . 1 1 51 51 VAL N N 51 123.100 123.100 119.244 3.856 19699 4349 1 7 . 1 1 51 51 VAL C C 51 176.585 176.585 175.640 0.945 19699 4350 1 7 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.179 1.034 19699 4351 1 7 . 1 1 51 51 VAL CB C 51 31.351 31.351 33.043 -1.692 19699 4352 1 7 . 1 1 51 51 VAL H H 51 8.667 8.667 8.453 0.214 19699 4353 1 7 . 1 1 52 52 ASP N N 52 129.313 129.313 127.527 1.786 19699 4354 1 7 . 1 1 52 52 ASP C C 52 173.916 173.916 174.663 -0.747 19699 4355 1 7 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.146 2.596 19699 4356 1 7 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.072 0.856 19699 4357 1 7 . 1 1 52 52 ASP H H 52 9.402 9.402 8.732 0.670 19699 4358 1 7 . 1 1 53 53 VAL N N 53 118.437 118.437 121.418 -2.981 19699 4359 1 7 . 1 1 53 53 VAL C C 53 175.402 175.402 173.363 2.039 19699 4360 1 7 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.512 -1.744 19699 4361 1 7 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.780 0.066 19699 4362 1 7 . 1 1 53 53 VAL H H 53 7.080 7.080 8.269 -1.189 19699 4363 1 7 . 1 1 54 54 THR N N 54 115.972 115.972 118.354 -2.382 19699 4364 1 7 . 1 1 54 54 THR C C 54 174.081 174.081 173.327 0.754 19699 4365 1 7 . 1 1 54 54 THR CA C 54 58.682 58.682 59.883 -1.201 19699 4366 1 7 . 1 1 54 54 THR CB C 54 70.590 70.590 71.433 -0.843 19699 4367 1 7 . 1 1 54 54 THR H H 54 9.682 9.682 8.975 0.707 19699 4368 1 7 . 1 1 55 55 SER N N 55 117.493 117.493 118.696 -1.203 19699 4369 1 7 . 1 1 55 55 SER C C 55 172.532 172.532 172.839 -0.307 19699 4370 1 7 . 1 1 55 55 SER CA C 55 58.440 58.440 56.892 1.548 19699 4371 1 7 . 1 1 55 55 SER CB C 55 64.406 64.406 64.954 -0.548 19699 4372 1 7 . 1 1 55 55 SER H H 55 9.115 9.115 8.638 0.477 19699 4373 1 7 . 1 1 56 56 TYR N N 56 127.570 127.570 126.991 0.579 19699 4374 1 7 . 1 1 56 56 TYR C C 56 173.235 173.235 175.362 -2.127 19699 4375 1 7 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.059 2.232 19699 4376 1 7 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.747 -0.113 19699 4377 1 7 . 1 1 56 56 TYR H H 56 8.706 8.706 9.439 -0.733 19699 4378 1 7 . 1 1 57 57 TYR N N 57 126.921 126.921 121.665 5.256 19699 4379 1 7 . 1 1 57 57 TYR C C 57 175.189 175.189 174.585 0.604 19699 4380 1 7 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.456 -2.046 19699 4381 1 7 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.003 -1.460 19699 4382 1 7 . 1 1 57 57 TYR H H 57 9.160 9.160 9.598 -0.438 19699 4383 1 7 . 1 1 58 58 GLU N N 58 114.689 114.689 122.768 -8.079 19699 4384 1 7 . 1 1 58 58 GLU C C 58 176.098 176.098 175.281 0.817 19699 4385 1 7 . 1 1 58 58 GLU CA C 58 55.321 55.321 54.952 0.369 19699 4386 1 7 . 1 1 58 58 GLU CB C 58 33.997 33.997 32.852 1.145 19699 4387 1 7 . 1 1 58 58 GLU H H 58 7.814 7.814 9.053 -1.240 19699 4388 1 7 . 1 1 59 59 SER N N 59 118.144 118.144 121.170 -3.026 19699 4389 1 7 . 1 1 59 59 SER C C 59 172.474 172.474 173.167 -0.693 19699 4390 1 7 . 1 1 59 59 SER CA C 59 56.261 56.261 56.980 -0.719 19699 4391 1 7 . 1 1 59 59 SER CB C 59 67.299 67.299 66.101 1.198 19699 4392 1 7 . 1 1 59 59 SER H H 59 9.059 9.059 8.261 0.798 19699 4393 1 7 . 1 1 60 60 SER N N 60 120.314 120.314 113.463 6.851 19699 4394 1 7 . 1 1 60 60 SER CA C 60 56.956 56.956 55.983 0.973 19699 4395 1 7 . 1 1 60 60 SER CB C 60 65.027 65.027 64.303 0.724 19699 4396 1 7 . 1 1 60 60 SER H H 60 9.489 9.489 8.559 0.930 19699 4397 1 7 . 1 1 61 61 PRO C C 61 175.753 175.753 176.972 -1.219 19699 4398 1 7 . 1 1 62 62 ASN N N 62 110.807 110.807 112.209 -1.402 19699 4399 1 7 . 1 1 62 62 ASN C C 62 174.630 174.630 175.021 -0.391 19699 4400 1 7 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.235 -1.825 19699 4401 1 7 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.360 -0.404 19699 4402 1 7 . 1 1 62 62 ASN H H 62 7.693 7.693 7.923 -0.230 19699 4403 1 7 . 1 1 63 63 SER N N 63 115.903 115.903 116.709 -0.806 19699 4404 1 7 . 1 1 63 63 SER C C 63 171.926 171.926 173.593 -1.667 19699 4405 1 7 . 1 1 63 63 SER CA C 63 57.927 57.927 57.153 0.774 19699 4406 1 7 . 1 1 63 63 SER CB C 63 64.472 64.472 64.461 0.011 19699 4407 1 7 . 1 1 63 63 SER H H 63 7.636 7.636 8.106 -0.470 19699 4408 1 7 . 1 1 64 64 GLU N N 64 128.229 128.229 127.696 0.533 19699 4409 1 7 . 1 1 64 64 GLU CA C 64 55.327 55.327 53.987 1.340 19699 4410 1 7 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.424 -3.988 19699 4411 1 7 . 1 1 64 64 GLU H H 64 9.432 9.432 8.615 0.817 19699 4412 1 7 . 1 1 65 65 PRO C C 65 175.912 175.912 175.905 0.007 19699 4413 1 7 . 1 1 66 66 ARG N N 66 125.093 125.093 124.425 0.668 19699 4414 1 7 . 1 1 66 66 ARG C C 66 175.221 175.221 175.419 -0.198 19699 4415 1 7 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.286 0.467 19699 4416 1 7 . 1 1 66 66 ARG CB C 66 32.172 32.172 33.913 -1.741 19699 4417 1 7 . 1 1 66 66 ARG H H 66 8.054 8.054 8.600 -0.546 19699 4418 1 7 . 1 1 67 67 PHE N N 67 126.028 126.028 124.620 1.408 19699 4419 1 7 . 1 1 67 67 PHE C C 67 174.478 174.478 175.052 -0.574 19699 4420 1 7 . 1 1 67 67 PHE CA C 67 58.896 58.896 58.977 -0.081 19699 4421 1 7 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.930 -0.876 19699 4422 1 7 . 1 1 67 67 PHE H H 67 9.078 9.078 8.876 0.202 19699 4423 1 7 . 1 1 68 68 LEU N N 68 127.080 127.080 128.809 -1.729 19699 4424 1 7 . 1 1 68 68 LEU C C 68 175.994 175.994 175.424 0.570 19699 4425 1 7 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.537 -0.665 19699 4426 1 7 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.441 1.334 19699 4427 1 7 . 1 1 68 68 LEU H H 68 8.477 8.477 8.688 -0.211 19699 4428 1 7 . 1 1 69 69 ARG N N 69 111.037 111.037 111.745 -0.708 19699 4429 1 7 . 1 1 69 69 ARG C C 69 172.738 172.738 173.381 -0.643 19699 4430 1 7 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.544 0.382 19699 4431 1 7 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.167 -2.438 19699 4432 1 7 . 1 1 69 69 ARG H H 69 6.560 6.560 7.142 -0.582 19699 4433 1 7 . 1 1 70 70 ALA N N 70 124.959 124.959 122.959 2.000 19699 4434 1 7 . 1 1 70 70 ALA C C 70 177.538 177.538 176.046 1.492 19699 4435 1 7 . 1 1 70 70 ALA CA C 70 50.155 50.155 51.030 -0.875 19699 4436 1 7 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.174 -3.575 19699 4437 1 7 . 1 1 70 70 ALA H H 70 8.749 8.749 8.435 0.314 19699 4438 1 7 . 1 1 71 71 ILE N N 71 120.318 120.318 122.782 -2.464 19699 4439 1 7 . 1 1 71 71 ILE C C 71 174.971 174.971 175.382 -0.411 19699 4440 1 7 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.937 -0.756 19699 4441 1 7 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.236 -1.736 19699 4442 1 7 . 1 1 71 71 ILE H H 71 8.532 8.532 9.129 -0.597 19699 4443 1 7 . 1 1 72 72 LEU N N 72 124.858 124.858 126.678 -1.820 19699 4444 1 7 . 1 1 72 72 LEU C C 72 176.383 176.383 176.957 -0.574 19699 4445 1 7 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.443 0.703 19699 4446 1 7 . 1 1 72 72 LEU CB C 72 40.535 40.535 41.927 -1.392 19699 4447 1 7 . 1 1 72 72 LEU H H 72 8.370 8.370 8.732 -0.362 19699 4448 1 7 . 1 1 73 73 ASN N N 73 118.206 118.206 121.545 -3.339 19699 4449 1 7 . 1 1 73 73 ASN C C 73 174.181 174.181 175.236 -1.055 19699 4450 1 7 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.429 -1.740 19699 4451 1 7 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.146 -1.036 19699 4452 1 7 . 1 1 73 73 ASN H H 73 8.220 8.220 8.478 -0.258 19699 4453 1 7 . 1 1 74 74 PHE N N 74 123.331 123.331 122.629 0.702 19699 4454 1 7 . 1 1 74 74 PHE C C 74 176.458 176.458 175.776 0.682 19699 4455 1 7 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.714 -0.320 19699 4456 1 7 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.724 -0.176 19699 4457 1 7 . 1 1 74 74 PHE H H 74 7.606 7.606 8.088 -0.482 19699 4458 1 7 . 1 1 75 75 THR N N 75 109.350 109.350 114.669 -5.319 19699 4459 1 7 . 1 1 75 75 THR H H 75 7.826 7.826 8.021 -0.195 19699 4460 1 7 . 1 1 76 76 PRO C C 76 176.832 176.832 176.904 -0.072 19699 4461 1 7 . 1 1 77 77 MET N N 77 122.265 122.265 116.029 6.236 19699 4462 1 7 . 1 1 77 77 MET C C 77 176.515 176.515 177.009 -0.494 19699 4463 1 7 . 1 1 77 77 MET CA C 77 55.525 55.525 57.782 -2.257 19699 4464 1 7 . 1 1 77 77 MET CB C 77 30.039 30.039 32.607 -2.568 19699 4465 1 7 . 1 1 77 77 MET H H 77 8.404 8.404 8.678 -0.274 19699 4466 1 7 . 1 1 78 78 HIS N N 78 123.575 123.575 118.871 4.704 19699 4467 1 7 . 1 1 78 78 HIS C C 78 175.951 175.951 175.597 0.354 19699 4468 1 7 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.307 0.267 19699 4469 1 7 . 1 1 78 78 HIS CB C 78 29.895 29.895 27.432 2.463 19699 4470 1 7 . 1 1 78 78 HIS H H 78 8.469 8.469 8.118 0.351 19699 4471 1 7 . 1 1 80 80 LEU C C 80 177.711 177.711 176.115 1.596 19699 4472 1 7 . 1 1 81 81 ARG N N 81 119.707 119.707 120.503 -0.796 19699 4473 1 7 . 1 1 81 81 ARG C C 81 177.060 177.060 175.960 1.100 19699 4474 1 7 . 1 1 81 81 ARG H H 81 8.368 8.368 8.746 -0.378 19699 4475 1 7 . 1 1 82 82 THR N N 82 114.163 114.163 111.708 2.455 19699 4476 1 7 . 1 1 82 82 THR C C 82 174.712 174.712 175.206 -0.494 19699 4477 1 7 . 1 1 82 82 THR CA C 82 62.533 62.533 62.512 0.021 19699 4478 1 7 . 1 1 82 82 THR H H 82 7.936 7.936 8.262 -0.326 19699 4479 1 7 . 1 1 83 83 LYS N N 83 121.875 121.875 121.770 0.105 19699 4480 1 7 . 1 1 83 83 LYS C C 83 175.855 175.855 175.602 0.253 19699 4481 1 7 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.197 0.503 19699 4482 1 7 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.945 -1.623 19699 4483 1 7 . 1 1 83 83 LYS H H 83 8.092 8.092 7.858 0.234 19699 4484 1 7 . 1 1 84 84 ASN N N 84 118.272 118.272 119.144 -0.872 19699 4485 1 7 . 1 1 84 84 ASN C C 84 176.216 176.216 175.307 0.909 19699 4486 1 7 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.717 -0.114 19699 4487 1 7 . 1 1 84 84 ASN CB C 84 38.706 38.706 39.260 -0.554 19699 4488 1 7 . 1 1 84 84 ASN H H 84 8.163 8.163 8.428 -0.265 19699 4489 1 7 . 1 1 85 85 LEU N N 85 123.394 123.394 119.990 3.404 19699 4490 1 7 . 1 1 85 85 LEU C C 85 176.987 176.987 176.965 0.022 19699 4491 1 7 . 1 1 85 85 LEU CA C 85 54.266 54.266 53.380 0.886 19699 4492 1 7 . 1 1 85 85 LEU CB C 85 40.497 40.497 44.287 -3.790 19699 4493 1 7 . 1 1 85 85 LEU H H 85 8.382 8.382 8.196 0.186 19699 4494 1 7 . 1 1 86 86 LEU N N 86 122.330 122.330 120.537 1.793 19699 4495 1 7 . 1 1 86 86 LEU C C 86 175.867 175.867 176.467 -0.600 19699 4496 1 7 . 1 1 86 86 LEU CA C 86 54.615 54.615 55.450 -0.835 19699 4497 1 7 . 1 1 86 86 LEU CB C 86 42.488 42.488 41.414 1.074 19699 4498 1 7 . 1 1 86 86 LEU H H 86 8.350 8.350 8.281 0.069 19699 4499 1 7 . 1 1 87 87 LYS N N 87 121.964 121.964 122.408 -0.444 19699 4500 1 7 . 1 1 87 87 LYS C C 87 179.215 179.215 178.195 1.020 19699 4501 1 7 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.684 -0.271 19699 4502 1 7 . 1 1 87 87 LYS CB C 87 35.919 35.919 35.252 0.667 19699 4503 1 7 . 1 1 87 87 LYS H H 87 9.560 9.560 8.777 0.783 19699 4504 1 7 . 1 1 88 88 VAL N N 88 124.714 124.714 121.119 3.595 19699 4505 1 7 . 1 1 88 88 VAL C C 88 181.289 181.289 178.018 3.271 19699 4506 1 7 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.325 0.406 19699 4507 1 7 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.674 -1.578 19699 4508 1 7 . 1 1 88 88 VAL H H 88 8.331 8.331 8.853 -0.522 19699 4509 1 7 . 1 1 89 89 LYS N N 89 119.721 119.721 117.306 2.415 19699 4510 1 7 . 1 1 89 89 LYS C C 89 176.988 176.988 176.455 0.533 19699 4511 1 7 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.830 -4.097 19699 4512 1 7 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.316 -0.879 19699 4513 1 7 . 1 1 89 89 LYS H H 89 8.356 8.356 8.263 0.093 19699 4514 1 7 . 1 1 90 90 ASP N N 90 117.057 117.057 117.476 -0.419 19699 4515 1 7 . 1 1 90 90 ASP C C 90 174.938 174.938 175.924 -0.986 19699 4516 1 7 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.360 0.362 19699 4517 1 7 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.810 0.775 19699 4518 1 7 . 1 1 90 90 ASP H H 90 7.613 7.613 7.861 -0.248 19699 4519 1 7 . 1 1 91 91 GLY N N 91 104.457 104.457 106.152 -1.695 19699 4520 1 7 . 1 1 91 91 GLY C C 91 172.136 172.136 173.589 -1.453 19699 4521 1 7 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.278 -0.800 19699 4522 1 7 . 1 1 91 91 GLY H H 91 8.078 8.078 8.180 -0.102 19699 4523 1 7 . 1 1 92 92 PHE N N 92 117.903 117.903 120.102 -2.199 19699 4524 1 7 . 1 1 92 92 PHE C C 92 173.925 173.925 174.361 -0.436 19699 4525 1 7 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.865 -0.092 19699 4526 1 7 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.580 2.003 19699 4527 1 7 . 1 1 92 92 PHE H H 92 7.038 7.038 7.619 -0.581 19699 4528 1 7 . 1 1 93 93 GLN N N 93 123.497 123.497 124.548 -1.051 19699 4529 1 7 . 1 1 93 93 GLN C C 93 173.550 173.550 174.024 -0.474 19699 4530 1 7 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.338 -0.587 19699 4531 1 7 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.551 1.342 19699 4532 1 7 . 1 1 93 93 GLN H H 93 8.716 8.716 8.677 0.039 19699 4533 1 7 . 1 1 94 94 VAL N N 94 130.740 130.740 129.089 1.651 19699 4534 1 7 . 1 1 94 94 VAL C C 94 176.502 176.502 175.268 1.234 19699 4535 1 7 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.238 0.293 19699 4536 1 7 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.059 -0.912 19699 4537 1 7 . 1 1 94 94 VAL H H 94 9.180 9.180 8.727 0.453 19699 4538 1 7 . 1 1 95 95 ASP N N 95 128.925 128.925 127.928 0.997 19699 4539 1 7 . 1 1 95 95 ASP C C 95 175.655 175.655 176.184 -0.529 19699 4540 1 7 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.836 -0.534 19699 4541 1 7 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.778 -1.677 19699 4542 1 7 . 1 1 95 95 ASP H H 95 8.397 8.397 8.581 -0.184 19699 4543 1 7 . 1 1 96 96 ASN N N 96 126.934 126.934 124.163 2.771 19699 4544 1 7 . 1 1 96 96 ASN C C 96 176.193 176.193 175.070 1.123 19699 4545 1 7 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.376 -0.674 19699 4546 1 7 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.442 0.342 19699 4547 1 7 . 1 1 96 96 ASN H H 96 8.367 8.367 8.554 -0.187 19699 4548 1 7 . 1 1 97 97 SER N N 97 117.606 117.606 115.889 1.717 19699 4549 1 7 . 1 1 97 97 SER C C 97 176.522 176.522 174.850 1.672 19699 4550 1 7 . 1 1 97 97 SER CA C 97 58.237 58.237 57.143 1.094 19699 4551 1 7 . 1 1 97 97 SER CB C 97 63.473 63.473 64.807 -1.334 19699 4552 1 7 . 1 1 97 97 SER H H 97 8.645 8.645 8.706 -0.061 19699 4553 1 7 . 1 1 98 98 THR N N 98 115.391 115.391 117.247 -1.856 19699 4554 1 7 . 1 1 98 98 THR C C 98 175.591 175.591 175.308 0.283 19699 4555 1 7 . 1 1 98 98 THR CA C 98 61.477 61.477 62.841 -1.364 19699 4556 1 7 . 1 1 98 98 THR CB C 98 68.670 68.670 68.841 -0.171 19699 4557 1 7 . 1 1 98 98 THR H H 98 8.722 8.722 8.879 -0.157 19699 4558 1 7 . 1 1 99 99 ASP N N 99 120.196 120.196 121.098 -0.902 19699 4559 1 7 . 1 1 99 99 ASP C C 99 176.485 176.485 177.306 -0.821 19699 4560 1 7 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.542 -1.365 19699 4561 1 7 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.257 0.999 19699 4562 1 7 . 1 1 99 99 ASP H H 99 8.326 8.326 8.138 0.188 19699 4563 1 7 . 1 1 100 100 ASN N N 100 118.377 118.377 118.099 0.278 19699 4564 1 7 . 1 1 100 100 ASN C C 100 176.916 176.916 176.631 0.285 19699 4565 1 7 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.453 -1.685 19699 4566 1 7 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.105 -1.157 19699 4567 1 7 . 1 1 100 100 ASN H H 100 7.905 7.905 7.987 -0.082 19699 4568 1 7 . 1 1 101 101 GLY N N 101 110.470 110.470 104.954 5.516 19699 4569 1 7 . 1 1 101 101 GLY C C 101 173.824 173.824 174.814 -0.990 19699 4570 1 7 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.342 0.117 19699 4571 1 7 . 1 1 101 101 GLY H H 101 8.450 8.450 8.676 -0.226 19699 4572 1 7 . 1 1 102 102 ASN N N 102 121.816 121.816 119.455 2.361 19699 4573 1 7 . 1 1 102 102 ASN C C 102 174.402 174.402 175.256 -0.854 19699 4574 1 7 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.341 -0.895 19699 4575 1 7 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.580 1.915 19699 4576 1 7 . 1 1 102 102 ASN H H 102 8.707 8.707 8.311 0.396 19699 4577 1 7 . 1 1 103 103 GLY N N 103 108.784 108.784 106.744 2.040 19699 4578 1 7 . 1 1 103 103 GLY C C 103 174.814 174.814 174.137 0.677 19699 4579 1 7 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.467 1.739 19699 4580 1 7 . 1 1 103 103 GLY H H 103 7.977 7.977 7.798 0.179 19699 4581 1 7 . 1 1 104 104 GLY N N 104 114.736 114.736 113.851 0.885 19699 4582 1 7 . 1 1 104 104 GLY C C 104 174.470 174.470 174.204 0.266 19699 4583 1 7 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.968 0.305 19699 4584 1 7 . 1 1 104 104 GLY H H 104 8.589 8.589 8.651 -0.062 19699 4585 1 7 . 1 1 105 105 ASN N N 105 120.001 120.001 119.857 0.144 19699 4586 1 7 . 1 1 105 105 ASN C C 105 171.914 171.914 173.145 -1.231 19699 4587 1 7 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.090 -1.038 19699 4588 1 7 . 1 1 105 105 ASN CB C 105 36.579 36.579 40.629 -4.050 19699 4589 1 7 . 1 1 105 105 ASN H H 105 7.561 7.561 8.128 -0.567 19699 4590 1 7 . 1 1 106 106 LEU N N 106 122.396 122.396 122.576 -0.180 19699 4591 1 7 . 1 1 106 106 LEU C C 106 175.196 175.196 174.671 0.525 19699 4592 1 7 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.229 -0.272 19699 4593 1 7 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.146 -1.405 19699 4594 1 7 . 1 1 106 106 LEU H H 106 7.775 7.775 7.607 0.168 19699 4595 1 7 . 1 1 107 107 TYR N N 107 123.722 123.722 126.226 -2.504 19699 4596 1 7 . 1 1 107 107 TYR C C 107 175.955 175.955 175.857 0.098 19699 4597 1 7 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.082 -1.203 19699 4598 1 7 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.217 0.345 19699 4599 1 7 . 1 1 107 107 TYR H H 107 9.210 9.210 9.159 0.051 19699 4600 1 7 . 1 1 108 108 VAL N N 108 121.472 121.472 123.139 -1.667 19699 4601 1 7 . 1 1 108 108 VAL C C 108 177.065 177.065 175.018 2.047 19699 4602 1 7 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.617 -0.582 19699 4603 1 7 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.206 -1.165 19699 4604 1 7 . 1 1 108 108 VAL H H 108 8.991 8.991 8.775 0.216 19699 4605 1 7 . 1 1 109 109 TYR N N 109 129.064 129.064 127.071 1.993 19699 4606 1 7 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.258 0.929 19699 4607 1 7 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.619 -1.396 19699 4608 1 7 . 1 1 109 109 TYR H H 109 9.242 9.242 8.300 0.942 19699 4609 1 7 . 1 1 110 110 PRO C C 110 176.067 176.067 177.052 -0.985 19699 4610 1 7 . 1 1 111 111 ASN N N 111 112.749 112.749 114.517 -1.768 19699 4611 1 7 . 1 1 111 111 ASN C C 111 175.296 175.296 175.132 0.164 19699 4612 1 7 . 1 1 111 111 ASN CA C 111 52.972 52.972 54.054 -1.082 19699 4613 1 7 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.050 -1.545 19699 4614 1 7 . 1 1 111 111 ASN H H 111 8.031 8.031 8.455 -0.424 19699 4615 1 7 . 1 1 112 112 ALA N N 112 124.990 124.990 123.323 1.667 19699 4616 1 7 . 1 1 112 112 ALA C C 112 178.295 178.295 176.894 1.401 19699 4617 1 7 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.966 0.245 19699 4618 1 7 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.593 -0.903 19699 4619 1 7 . 1 1 112 112 ALA H H 112 7.678 7.678 7.548 0.130 19699 4620 1 7 . 1 1 113 113 THR N N 113 116.898 116.898 117.199 -0.301 19699 4621 1 7 . 1 1 113 113 THR C C 113 175.601 175.601 176.049 -0.448 19699 4622 1 7 . 1 1 113 113 THR CA C 113 63.391 63.391 63.278 0.113 19699 4623 1 7 . 1 1 113 113 THR CB C 113 69.220 69.220 69.742 -0.522 19699 4624 1 7 . 1 1 113 113 THR H H 113 8.530 8.530 8.369 0.161 19699 4625 1 7 . 1 1 114 114 THR N N 114 122.908 122.908 122.288 0.620 19699 4626 1 7 . 1 1 114 114 THR C C 114 175.178 175.178 176.764 -1.586 19699 4627 1 7 . 1 1 114 114 THR CA C 114 63.941 63.941 67.517 -3.576 19699 4628 1 7 . 1 1 114 114 THR CB C 114 68.628 68.628 68.658 -0.030 19699 4629 1 7 . 1 1 114 114 THR H H 114 8.530 8.530 8.671 -0.141 19699 4630 1 7 . 1 1 115 115 GLY N N 115 114.662 114.662 109.381 5.281 19699 4631 1 7 . 1 1 115 115 GLY C C 115 175.853 175.853 176.490 -0.637 19699 4632 1 7 . 1 1 115 115 GLY CA C 115 45.060 45.060 47.161 -2.101 19699 4633 1 7 . 1 1 115 115 GLY H H 115 8.822 8.822 8.360 0.462 19699 4634 1 7 . 1 1 116 116 SER N N 116 118.029 118.029 119.082 -1.053 19699 4635 1 7 . 1 1 116 116 SER C C 116 176.740 176.740 177.313 -0.573 19699 4636 1 7 . 1 1 116 116 SER CA C 116 61.370 61.370 61.019 0.351 19699 4637 1 7 . 1 1 116 116 SER CB C 116 62.652 62.652 63.206 -0.554 19699 4638 1 7 . 1 1 116 116 SER H H 116 8.138 8.138 8.245 -0.107 19699 4639 1 7 . 1 1 117 117 ALA N N 117 124.981 124.981 124.813 0.168 19699 4640 1 7 . 1 1 117 117 ALA C C 117 178.629 178.629 179.817 -1.188 19699 4641 1 7 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.129 -0.399 19699 4642 1 7 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.152 -0.859 19699 4643 1 7 . 1 1 117 117 ALA H H 117 8.787 8.787 8.246 0.541 19699 4644 1 7 . 1 1 118 118 ASP N N 118 115.338 115.338 116.641 -1.303 19699 4645 1 7 . 1 1 118 118 ASP C C 118 176.339 176.339 177.314 -0.975 19699 4646 1 7 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.530 -1.283 19699 4647 1 7 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.617 -0.363 19699 4648 1 7 . 1 1 118 118 ASP H H 118 7.937 7.937 8.166 -0.229 19699 4649 1 7 . 1 1 119 119 SER N N 119 115.239 115.239 113.811 1.428 19699 4650 1 7 . 1 1 119 119 SER C C 119 173.992 173.992 174.303 -0.311 19699 4651 1 7 . 1 1 119 119 SER CA C 119 57.490 57.490 57.941 -0.451 19699 4652 1 7 . 1 1 119 119 SER CB C 119 64.406 64.406 63.109 1.296 19699 4653 1 7 . 1 1 119 119 SER H H 119 7.831 7.831 7.582 0.249 19699 4654 1 7 . 1 1 120 120 VAL N N 120 124.259 124.259 124.866 -0.607 19699 4655 1 7 . 1 1 120 120 VAL C C 120 175.395 175.395 176.008 -0.613 19699 4656 1 7 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.729 -1.597 19699 4657 1 7 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.233 -0.940 19699 4658 1 7 . 1 1 120 120 VAL H H 120 7.360 7.360 7.347 0.013 19699 4659 1 7 . 1 1 121 121 ARG N N 121 129.213 129.213 124.832 4.381 19699 4660 1 7 . 1 1 121 121 ARG C C 121 174.280 174.280 174.098 0.182 19699 4661 1 7 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.659 2.364 19699 4662 1 7 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.391 -1.088 19699 4663 1 7 . 1 1 121 121 ARG H H 121 9.752 9.752 9.003 0.749 19699 4664 1 7 . 1 1 122 122 CYS N N 122 119.036 119.036 122.009 -2.973 19699 4665 1 7 . 1 1 122 122 CYS C C 122 174.282 174.282 173.296 0.986 19699 4666 1 7 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.286 -2.477 19699 4667 1 7 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.660 18.603 19699 4668 1 7 . 1 1 122 122 CYS H H 122 8.568 8.568 8.480 0.088 19699 4669 1 7 . 1 1 123 123 ARG N N 123 124.532 124.532 129.730 -5.198 19699 4670 1 7 . 1 1 123 123 ARG C C 123 175.100 175.100 174.222 0.878 19699 4671 1 7 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.245 -0.087 19699 4672 1 7 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.700 -1.790 19699 4673 1 7 . 1 1 123 123 ARG H H 123 9.099 9.099 8.681 0.418 19699 4674 1 7 . 1 1 124 124 LEU N N 124 132.168 132.168 127.920 4.248 19699 4675 1 7 . 1 1 124 124 LEU C C 124 173.758 173.758 174.388 -0.630 19699 4676 1 7 . 1 1 124 124 LEU H H 124 10.076 10.076 9.149 0.927 19699 4677 1 7 . 1 1 125 125 ARG N N 125 128.271 128.271 128.779 -0.508 19699 4678 1 7 . 1 1 125 125 ARG C C 125 175.505 175.505 174.264 1.241 19699 4679 1 7 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.053 -0.452 19699 4680 1 7 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.143 -1.344 19699 4681 1 7 . 1 1 125 125 ARG H H 125 9.086 9.086 9.074 0.012 19699 4682 1 7 . 1 1 126 126 MET N N 126 108.020 108.020 128.131 -20.111 19699 4683 1 7 . 1 1 126 126 MET C C 126 174.911 174.911 173.990 0.921 19699 4684 1 7 . 1 1 126 126 MET CA C 126 54.118 54.118 54.447 -0.329 19699 4685 1 7 . 1 1 126 126 MET CB C 126 33.459 33.459 34.500 -1.041 19699 4686 1 7 . 1 1 126 126 MET H H 126 9.003 9.003 8.803 0.200 19699 4687 1 7 . 1 1 127 127 CYS N N 127 126.794 126.794 127.274 -0.480 19699 4688 1 7 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.929 -3.744 19699 4689 1 7 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.262 20.000 19699 4690 1 7 . 1 1 127 127 CYS H H 127 8.849 8.849 9.018 -0.169 19699 4691 1 7 . 1 1 128 128 PRO C C 128 174.880 174.880 176.014 -1.134 19699 4692 1 7 . 1 1 129 129 TRP N N 129 118.064 118.064 119.169 -1.105 19699 4693 1 7 . 1 1 129 129 TRP C C 129 173.252 173.252 174.083 -0.831 19699 4694 1 7 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.120 0.216 19699 4695 1 7 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.645 -0.599 19699 4696 1 7 . 1 1 129 129 TRP H H 129 7.775 7.775 8.300 -0.525 19699 4697 1 7 . 1 1 130 130 THR N N 130 112.900 112.900 112.804 0.096 19699 4698 1 7 . 1 1 130 130 THR C C 130 172.690 172.690 173.976 -1.286 19699 4699 1 7 . 1 1 130 130 THR CA C 130 58.923 58.923 60.022 -1.099 19699 4700 1 7 . 1 1 130 130 THR CB C 130 69.380 69.380 70.605 -1.225 19699 4701 1 7 . 1 1 130 130 THR H H 130 8.810 8.810 8.732 0.078 19699 4702 1 7 . 1 1 131 131 SER N N 131 122.448 122.448 116.852 5.596 19699 4703 1 7 . 1 1 131 131 SER C C 131 174.399 174.399 174.205 0.194 19699 4704 1 7 . 1 1 131 131 SER CA C 131 58.582 58.582 57.938 0.644 19699 4705 1 7 . 1 1 131 131 SER CB C 131 63.356 63.356 63.951 -0.595 19699 4706 1 7 . 1 1 131 131 SER H H 131 8.898 8.898 8.696 0.202 19699 4707 1 7 . 1 1 132 132 ASN N N 132 124.196 124.196 121.841 2.355 19699 4708 1 7 . 1 1 132 132 ASN C C 132 175.577 175.577 175.989 -0.412 19699 4709 1 7 . 1 1 132 132 ASN CA C 132 52.167 52.167 52.100 0.067 19699 4710 1 7 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.870 -0.799 19699 4711 1 7 . 1 1 132 132 ASN H H 132 8.785 8.785 7.484 1.301 19699 4712 1 7 . 1 1 133 133 SER N N 133 120.691 120.691 123.122 -2.431 19699 4713 1 7 . 1 1 133 133 SER C C 133 174.574 174.574 175.465 -0.891 19699 4714 1 7 . 1 1 133 133 SER CA C 133 59.820 59.820 59.962 -0.142 19699 4715 1 7 . 1 1 133 133 SER CB C 133 62.342 62.342 62.842 -0.500 19699 4716 1 7 . 1 1 133 133 SER H H 133 8.580 8.580 8.644 -0.064 19699 4717 1 7 . 1 1 134 134 LYS N N 134 119.450 119.450 119.891 -0.441 19699 4718 1 7 . 1 1 134 134 LYS C C 134 176.698 176.698 176.248 0.450 19699 4719 1 7 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.729 -1.042 19699 4720 1 7 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.770 -1.410 19699 4721 1 7 . 1 1 134 134 LYS H H 134 7.904 7.904 8.172 -0.268 19699 4722 1 7 . 1 1 135 135 MET N N 135 121.695 121.695 119.181 2.514 19699 4723 1 7 . 1 1 135 135 MET C C 135 175.354 175.354 175.588 -0.234 19699 4724 1 7 . 1 1 135 135 MET CA C 135 55.498 55.498 55.189 0.309 19699 4725 1 7 . 1 1 135 135 MET CB C 135 33.295 33.295 33.644 -0.349 19699 4726 1 7 . 1 1 135 135 MET H H 135 7.343 7.343 7.524 -0.181 19699 4727 1 7 . 1 1 136 136 THR N N 136 114.220 114.220 113.033 1.187 19699 4728 1 7 . 1 1 136 136 THR C C 136 173.806 173.806 173.334 0.472 19699 4729 1 7 . 1 1 136 136 THR CA C 136 61.228 61.228 61.214 0.014 19699 4730 1 7 . 1 1 136 136 THR CB C 136 69.201 69.201 69.992 -0.791 19699 4731 1 7 . 1 1 136 136 THR H H 136 8.633 8.633 8.550 0.083 19699 4732 1 7 . 1 1 137 137 ALA N N 137 125.205 125.205 122.437 2.768 19699 4733 1 7 . 1 1 137 137 ALA C C 137 173.600 173.600 174.599 -0.999 19699 4734 1 7 . 1 1 137 137 ALA CA C 137 49.842 49.842 49.988 -0.146 19699 4735 1 7 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.618 -1.490 19699 4736 1 7 . 1 1 137 137 ALA H H 137 7.637 7.637 7.450 0.187 19699 4737 1 7 . 1 1 138 138 PRO C C 138 175.117 175.117 175.758 -0.641 19699 4738 1 7 . 1 1 139 139 ASP N N 139 121.528 121.528 120.794 0.734 19699 4739 1 7 . 1 1 139 139 ASP C C 139 174.966 174.966 177.028 -2.062 19699 4740 1 7 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.053 -0.476 19699 4741 1 7 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.456 -0.713 19699 4742 1 7 . 1 1 139 139 ASP H H 139 7.299 7.299 8.063 -0.764 19699 4743 1 7 . 1 1 140 140 GLU N N 140 118.631 118.631 119.840 -1.209 19699 4744 1 7 . 1 1 140 140 GLU C C 140 178.914 178.914 178.411 0.503 19699 4745 1 7 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.455 -0.649 19699 4746 1 7 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.683 -1.165 19699 4747 1 7 . 1 1 140 140 GLU H H 140 8.524 8.524 8.669 -0.145 19699 4748 1 7 . 1 1 141 141 GLU N N 141 119.900 119.900 119.190 0.710 19699 4749 1 7 . 1 1 141 141 GLU C C 141 178.162 178.162 178.997 -0.835 19699 4750 1 7 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.357 -0.708 19699 4751 1 7 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.285 -0.878 19699 4752 1 7 . 1 1 141 141 GLU H H 141 8.116 8.116 8.472 -0.356 19699 4753 1 7 . 1 1 142 142 MET N N 142 121.303 121.303 118.347 2.956 19699 4754 1 7 . 1 1 142 142 MET C C 142 178.689 178.689 178.676 0.013 19699 4755 1 7 . 1 1 142 142 MET CA C 142 59.370 59.370 59.789 -0.419 19699 4756 1 7 . 1 1 142 142 MET CB C 142 33.252 33.252 32.802 0.450 19699 4757 1 7 . 1 1 142 142 MET H H 142 7.989 7.989 8.988 -0.999 19699 4758 1 7 . 1 1 143 143 LEU N N 143 117.901 117.901 119.740 -1.839 19699 4759 1 7 . 1 1 143 143 LEU C C 143 180.619 180.619 178.352 2.267 19699 4760 1 7 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.645 0.168 19699 4761 1 7 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.342 -1.073 19699 4762 1 7 . 1 1 143 143 LEU H H 143 8.485 8.485 8.224 0.261 19699 4763 1 7 . 1 1 144 144 ARG N N 144 120.175 120.175 117.030 3.145 19699 4764 1 7 . 1 1 144 144 ARG C C 144 180.648 180.648 178.851 1.797 19699 4765 1 7 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.594 -0.344 19699 4766 1 7 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.266 -1.341 19699 4767 1 7 . 1 1 144 144 ARG H H 144 7.900 7.900 8.239 -0.339 19699 4768 1 7 . 1 1 145 145 LYS N N 145 119.936 119.936 119.131 0.805 19699 4769 1 7 . 1 1 145 145 LYS C C 145 178.813 178.813 179.006 -0.193 19699 4770 1 7 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.161 -0.537 19699 4771 1 7 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.416 -0.353 19699 4772 1 7 . 1 1 145 145 LYS H H 145 7.850 7.850 7.995 -0.145 19699 4773 1 7 . 1 1 146 146 MET N N 146 115.986 115.986 117.425 -1.439 19699 4774 1 7 . 1 1 146 146 MET C C 146 176.094 176.094 176.602 -0.508 19699 4775 1 7 . 1 1 146 146 MET CA C 146 55.267 55.267 56.100 -0.833 19699 4776 1 7 . 1 1 146 146 MET CB C 146 32.898 32.898 32.651 0.247 19699 4777 1 7 . 1 1 146 146 MET H H 146 7.776 7.776 8.179 -0.403 19699 4778 1 7 . 1 1 147 147 SER N N 147 119.679 119.679 116.457 3.222 19699 4779 1 7 . 1 1 147 147 SER C C 147 175.114 175.114 176.160 -1.046 19699 4780 1 7 . 1 1 147 147 SER CA C 147 62.736 62.736 62.041 0.695 19699 4781 1 7 . 1 1 147 147 SER CB C 147 62.105 62.105 62.986 -0.881 19699 4782 1 7 . 1 1 147 147 SER H H 147 7.430 7.430 7.757 -0.327 19699 4783 1 7 . 1 1 148 148 GLU N N 148 117.968 117.968 121.742 -3.774 19699 4784 1 7 . 1 1 148 148 GLU C C 148 179.313 179.313 177.639 1.674 19699 4785 1 7 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.635 0.440 19699 4786 1 7 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.224 0.314 19699 4787 1 7 . 1 1 148 148 GLU H H 148 9.216 9.216 8.301 0.915 19699 4788 1 7 . 1 1 149 149 VAL N N 149 115.349 115.349 117.999 -2.650 19699 4789 1 7 . 1 1 149 149 VAL C C 149 176.790 176.790 178.003 -1.213 19699 4790 1 7 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.378 -0.514 19699 4791 1 7 . 1 1 149 149 VAL H H 149 7.325 7.325 7.669 -0.344 19699 4792 1 7 . 1 1 150 150 LEU N N 150 119.724 119.724 120.483 -0.759 19699 4793 1 7 . 1 1 150 150 LEU C C 150 178.010 178.010 177.836 0.174 19699 4794 1 7 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.543 -0.334 19699 4795 1 7 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.429 -2.003 19699 4796 1 7 . 1 1 150 150 LEU H H 150 7.387 7.387 8.268 -0.881 19699 4797 1 7 . 1 1 151 151 ASN N N 151 112.853 112.853 116.183 -3.330 19699 4798 1 7 . 1 1 151 151 ASN C C 151 176.682 176.682 174.608 2.074 19699 4799 1 7 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.369 -0.279 19699 4800 1 7 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.574 -0.278 19699 4801 1 7 . 1 1 151 151 ASN H H 151 7.593 7.593 7.675 -0.082 19699 4802 1 7 . 1 1 152 152 LEU N N 152 122.057 122.057 122.202 -0.145 19699 4803 1 7 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.255 1.198 19699 4804 1 7 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.627 -2.038 19699 4805 1 7 . 1 1 152 152 LEU H H 152 7.193 7.193 7.697 -0.504 19699 4806 1 7 . 1 1 153 153 PRO C C 153 177.670 177.670 175.564 2.106 19699 4807 1 7 . 1 1 154 154 ASN N N 154 121.894 121.894 119.403 2.491 19699 4808 1 7 . 1 1 154 154 ASN C C 154 176.786 176.786 175.193 1.593 19699 4809 1 7 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.527 -0.770 19699 4810 1 7 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.367 -1.538 19699 4811 1 7 . 1 1 154 154 ASN H H 154 8.824 8.824 8.533 0.291 19699 4812 1 7 . 1 1 155 155 TYR N N 155 124.386 124.386 125.834 -1.448 19699 4813 1 7 . 1 1 155 155 TYR C C 155 173.048 173.048 173.627 -0.579 19699 4814 1 7 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.169 -2.446 19699 4815 1 7 . 1 1 155 155 TYR CB C 155 39.711 39.711 41.224 -1.513 19699 4816 1 7 . 1 1 155 155 TYR H H 155 8.245 8.245 8.486 -0.241 19699 4817 1 8 . 1 1 2 2 HIS N N 2 122.591 122.591 121.106 1.485 19699 4818 1 8 . 1 1 2 2 HIS C C 2 174.514 174.514 174.893 -0.379 19699 4819 1 8 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.555 -1.254 19699 4820 1 8 . 1 1 2 2 HIS CB C 2 28.454 28.454 28.828 -0.374 19699 4821 1 8 . 1 1 2 2 HIS H H 2 8.695 8.695 8.734 -0.039 19699 4822 1 8 . 1 1 3 3 SER N N 3 120.223 120.223 117.789 2.434 19699 4823 1 8 . 1 1 3 3 SER C C 3 175.623 175.623 175.027 0.596 19699 4824 1 8 . 1 1 3 3 SER CA C 3 58.703 58.703 58.829 -0.126 19699 4825 1 8 . 1 1 3 3 SER CB C 3 63.275 63.275 63.992 -0.717 19699 4826 1 8 . 1 1 3 3 SER H H 3 8.797 8.797 8.425 0.372 19699 4827 1 8 . 1 1 4 4 LEU N N 4 126.300 126.300 126.702 -0.402 19699 4828 1 8 . 1 1 4 4 LEU C C 4 175.677 175.677 176.042 -0.365 19699 4829 1 8 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.633 -0.584 19699 4830 1 8 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.798 -0.191 19699 4831 1 8 . 1 1 4 4 LEU H H 4 8.332 8.332 8.173 0.159 19699 4832 1 8 . 1 1 5 5 GLY N N 5 108.289 108.289 107.437 0.852 19699 4833 1 8 . 1 1 5 5 GLY C C 5 171.743 171.743 173.322 -1.579 19699 4834 1 8 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.112 -0.462 19699 4835 1 8 . 1 1 5 5 GLY H H 5 7.737 7.737 7.634 0.103 19699 4836 1 8 . 1 1 6 6 CYS N N 6 112.366 112.366 122.865 -10.499 19699 4837 1 8 . 1 1 6 6 CYS C C 6 172.715 172.715 174.560 -1.845 19699 4838 1 8 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.344 -2.620 19699 4839 1 8 . 1 1 6 6 CYS CB C 6 48.588 48.588 28.854 19.734 19699 4840 1 8 . 1 1 6 6 CYS H H 6 7.688 7.688 8.082 -0.394 19699 4841 1 8 . 1 1 7 7 TYR N N 7 122.399 122.399 119.885 2.514 19699 4842 1 8 . 1 1 7 7 TYR C C 7 174.024 174.024 174.462 -0.438 19699 4843 1 8 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.166 0.486 19699 4844 1 8 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.536 -2.014 19699 4845 1 8 . 1 1 7 7 TYR H H 7 8.733 8.733 8.907 -0.174 19699 4846 1 8 . 1 1 8 8 PHE N N 8 123.806 123.806 122.349 1.457 19699 4847 1 8 . 1 1 8 8 PHE C C 8 175.708 175.708 175.634 0.074 19699 4848 1 8 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.757 -0.049 19699 4849 1 8 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.947 -1.372 19699 4850 1 8 . 1 1 8 8 PHE H H 8 9.088 9.088 8.994 0.094 19699 4851 1 8 . 1 1 9 9 LYS N N 9 121.663 121.663 123.463 -1.800 19699 4852 1 8 . 1 1 9 9 LYS C C 9 176.024 176.024 175.617 0.407 19699 4853 1 8 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.924 -2.535 19699 4854 1 8 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.786 0.775 19699 4855 1 8 . 1 1 9 9 LYS H H 9 9.284 9.284 9.119 0.165 19699 4856 1 8 . 1 1 10 10 GLY N N 10 109.739 109.739 108.389 1.350 19699 4857 1 8 . 1 1 10 10 GLY C C 10 172.722 172.722 173.567 -0.845 19699 4858 1 8 . 1 1 10 10 GLY CA C 10 44.202 44.202 44.020 0.182 19699 4859 1 8 . 1 1 10 10 GLY H H 10 8.755 8.755 8.668 0.087 19699 4860 1 8 . 1 1 11 11 ILE N N 11 122.761 122.761 124.249 -1.488 19699 4861 1 8 . 1 1 11 11 ILE C C 11 174.106 174.106 174.642 -0.536 19699 4862 1 8 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.254 -0.142 19699 4863 1 8 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.953 0.792 19699 4864 1 8 . 1 1 11 11 ILE H H 11 8.212 8.212 8.934 -0.722 19699 4865 1 8 . 1 1 12 12 ASN N N 12 127.675 127.675 126.257 1.418 19699 4866 1 8 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.024 -0.285 19699 4867 1 8 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.630 -1.045 19699 4868 1 8 . 1 1 12 12 ASN H H 12 9.050 9.050 8.770 0.280 19699 4869 1 8 . 1 1 13 13 PRO C C 13 176.450 176.450 176.383 0.067 19699 4870 1 8 . 1 1 14 14 THR N N 14 115.695 115.695 112.731 2.964 19699 4871 1 8 . 1 1 14 14 THR C C 14 173.172 173.172 174.348 -1.176 19699 4872 1 8 . 1 1 14 14 THR CA C 14 59.908 59.908 60.098 -0.190 19699 4873 1 8 . 1 1 14 14 THR CB C 14 70.727 70.727 72.137 -1.410 19699 4874 1 8 . 1 1 14 14 THR H H 14 9.320 9.320 8.548 0.772 19699 4875 1 8 . 1 1 15 15 LYS N N 15 123.952 123.952 123.641 0.311 19699 4876 1 8 . 1 1 15 15 LYS C C 15 177.147 177.147 176.289 0.858 19699 4877 1 8 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.999 -0.313 19699 4878 1 8 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.481 -1.518 19699 4879 1 8 . 1 1 15 15 LYS H H 15 8.534 8.534 8.416 0.118 19699 4880 1 8 . 1 1 16 16 VAL N N 16 129.976 129.976 126.218 3.758 19699 4881 1 8 . 1 1 16 16 VAL CA C 16 58.944 58.944 59.361 -0.417 19699 4882 1 8 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.968 0.046 19699 4883 1 8 . 1 1 16 16 VAL H H 16 8.836 8.836 8.477 0.359 19699 4884 1 8 . 1 1 17 17 PRO C C 17 176.397 176.397 175.573 0.824 19699 4885 1 8 . 1 1 18 18 SER N N 18 117.885 117.885 117.567 0.318 19699 4886 1 8 . 1 1 18 18 SER C C 18 174.516 174.516 174.283 0.233 19699 4887 1 8 . 1 1 18 18 SER CA C 18 56.695 56.695 57.461 -0.766 19699 4888 1 8 . 1 1 18 18 SER CB C 18 64.232 64.232 64.805 -0.572 19699 4889 1 8 . 1 1 18 18 SER H H 18 8.303 8.303 7.784 0.519 19699 4890 1 8 . 1 1 19 19 SER N N 19 120.346 120.346 117.770 2.576 19699 4891 1 8 . 1 1 19 19 SER C C 19 173.829 173.829 174.711 -0.882 19699 4892 1 8 . 1 1 19 19 SER CA C 19 58.080 58.080 58.983 -0.903 19699 4893 1 8 . 1 1 19 19 SER CB C 19 62.659 62.659 63.484 -0.825 19699 4894 1 8 . 1 1 19 19 SER H H 19 8.679 8.679 8.370 0.309 19699 4895 1 8 . 1 1 20 20 ASP N N 20 126.377 126.377 125.003 1.374 19699 4896 1 8 . 1 1 20 20 ASP CA C 20 52.384 52.384 53.128 -0.744 19699 4897 1 8 . 1 1 20 20 ASP CB C 20 41.535 41.535 42.242 -0.707 19699 4898 1 8 . 1 1 20 20 ASP H H 20 8.247 8.247 7.594 0.653 19699 4899 1 8 . 1 1 21 21 PRO C C 21 177.616 177.616 176.917 0.699 19699 4900 1 8 . 1 1 22 22 ARG N N 22 119.127 119.127 117.335 1.792 19699 4901 1 8 . 1 1 22 22 ARG C C 22 175.307 175.307 176.212 -0.905 19699 4902 1 8 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.859 -0.445 19699 4903 1 8 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.034 -2.229 19699 4904 1 8 . 1 1 22 22 ARG H H 22 8.692 8.692 8.380 0.312 19699 4905 1 8 . 1 1 23 23 THR N N 23 120.270 120.270 119.062 1.208 19699 4906 1 8 . 1 1 23 23 THR C C 23 172.509 172.509 173.914 -1.405 19699 4907 1 8 . 1 1 23 23 THR CA C 23 63.089 63.089 63.044 0.046 19699 4908 1 8 . 1 1 23 23 THR CB C 23 69.254 69.254 69.511 -0.257 19699 4909 1 8 . 1 1 23 23 THR H H 23 8.265 8.265 8.333 -0.068 19699 4910 1 8 . 1 1 24 24 VAL N N 24 129.461 129.461 128.182 1.279 19699 4911 1 8 . 1 1 24 24 VAL C C 24 174.663 174.663 174.609 0.054 19699 4912 1 8 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.124 -0.140 19699 4913 1 8 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.273 -0.669 19699 4914 1 8 . 1 1 24 24 VAL H H 24 8.992 8.992 8.570 0.422 19699 4915 1 8 . 1 1 25 25 LEU N N 25 126.449 126.449 128.895 -2.446 19699 4916 1 8 . 1 1 25 25 LEU C C 25 174.669 174.669 175.618 -0.949 19699 4917 1 8 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.218 -0.971 19699 4918 1 8 . 1 1 25 25 LEU CB C 25 44.162 44.162 43.475 0.687 19699 4919 1 8 . 1 1 25 25 LEU H H 25 9.281 9.281 8.786 0.495 19699 4920 1 8 . 1 1 26 26 LYS N N 26 120.574 120.574 123.703 -3.129 19699 4921 1 8 . 1 1 26 26 LYS C C 26 175.637 175.637 174.823 0.814 19699 4922 1 8 . 1 1 26 26 LYS CA C 26 53.665 53.665 54.849 -1.184 19699 4923 1 8 . 1 1 26 26 LYS CB C 26 36.820 36.820 35.812 1.008 19699 4924 1 8 . 1 1 26 26 LYS H H 26 8.832 8.832 8.837 -0.005 19699 4925 1 8 . 1 1 27 27 CYS N N 27 126.079 126.079 127.014 -0.935 19699 4926 1 8 . 1 1 27 27 CYS C C 27 172.527 172.527 174.520 -1.993 19699 4927 1 8 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.206 -5.778 19699 4928 1 8 . 1 1 27 27 CYS CB C 27 44.628 44.628 26.446 18.182 19699 4929 1 8 . 1 1 27 27 CYS H H 27 8.709 8.709 9.174 -0.465 19699 4930 1 8 . 1 1 28 28 THR N N 28 122.887 122.887 122.906 -0.019 19699 4931 1 8 . 1 1 28 28 THR C C 28 172.844 172.844 173.403 -0.559 19699 4932 1 8 . 1 1 28 28 THR CA C 28 64.228 64.228 63.920 0.307 19699 4933 1 8 . 1 1 28 28 THR CB C 28 68.222 68.222 69.322 -1.100 19699 4934 1 8 . 1 1 28 28 THR H H 28 8.086 8.086 8.467 -0.381 19699 4935 1 8 . 1 1 29 29 LEU N N 29 127.761 127.761 129.253 -1.492 19699 4936 1 8 . 1 1 29 29 LEU CA C 29 50.361 50.361 50.985 -0.624 19699 4937 1 8 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.147 -3.356 19699 4938 1 8 . 1 1 29 29 LEU H H 29 8.452 8.452 8.044 0.408 19699 4939 1 8 . 1 1 30 30 PRO C C 30 174.451 174.451 175.817 -1.366 19699 4940 1 8 . 1 1 31 31 ASP N N 31 120.693 120.693 122.508 -1.815 19699 4941 1 8 . 1 1 31 31 ASP C C 31 175.442 175.442 175.172 0.270 19699 4942 1 8 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.898 -0.975 19699 4943 1 8 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.756 -1.511 19699 4944 1 8 . 1 1 31 31 ASP H H 31 8.380 8.380 8.471 -0.091 19699 4945 1 8 . 1 1 32 32 VAL N N 32 127.962 127.962 123.795 4.167 19699 4946 1 8 . 1 1 32 32 VAL C C 32 173.841 173.841 175.364 -1.523 19699 4947 1 8 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.551 -0.584 19699 4948 1 8 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.529 -0.127 19699 4949 1 8 . 1 1 32 32 VAL H H 32 7.195 7.195 7.670 -0.475 19699 4950 1 8 . 1 1 33 33 LYS N N 33 127.967 127.967 129.742 -1.775 19699 4951 1 8 . 1 1 33 33 LYS C C 33 176.805 176.805 175.782 1.023 19699 4952 1 8 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.423 -0.665 19699 4953 1 8 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.449 -1.376 19699 4954 1 8 . 1 1 33 33 LYS H H 33 8.375 8.375 8.860 -0.485 19699 4955 1 8 . 1 1 34 34 VAL N N 34 110.772 110.772 115.220 -4.448 19699 4956 1 8 . 1 1 34 34 VAL C C 34 174.766 174.766 174.191 0.575 19699 4957 1 8 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.843 -1.904 19699 4958 1 8 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.365 -0.691 19699 4959 1 8 . 1 1 34 34 VAL H H 34 6.445 6.445 7.514 -1.069 19699 4960 1 8 . 1 1 35 35 ASN N N 35 123.757 123.757 121.347 2.410 19699 4961 1 8 . 1 1 35 35 ASN C C 35 173.218 173.218 174.251 -1.033 19699 4962 1 8 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.489 0.147 19699 4963 1 8 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.851 -0.723 19699 4964 1 8 . 1 1 35 35 ASN H H 35 8.723 8.723 8.760 -0.037 19699 4965 1 8 . 1 1 36 36 ALA N N 36 124.355 124.355 126.684 -2.329 19699 4966 1 8 . 1 1 36 36 ALA C C 36 175.731 175.731 174.988 0.743 19699 4967 1 8 . 1 1 36 36 ALA H H 36 7.176 7.176 8.188 -1.012 19699 4968 1 8 . 1 1 37 37 SER N N 37 116.842 116.842 113.726 3.116 19699 4969 1 8 . 1 1 37 37 SER C C 37 173.137 173.137 172.783 0.354 19699 4970 1 8 . 1 1 37 37 SER CA C 37 56.592 56.592 57.221 -0.629 19699 4971 1 8 . 1 1 37 37 SER CB C 37 65.760 65.760 66.765 -1.005 19699 4972 1 8 . 1 1 37 37 SER H H 37 8.185 8.185 7.749 0.436 19699 4973 1 8 . 1 1 38 38 TRP N N 38 123.519 123.519 121.521 1.998 19699 4974 1 8 . 1 1 38 38 TRP C C 38 174.100 174.100 176.102 -2.002 19699 4975 1 8 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.708 -0.874 19699 4976 1 8 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.945 -5.351 19699 4977 1 8 . 1 1 38 38 TRP H H 38 8.895 8.895 9.296 -0.401 19699 4978 1 8 . 1 1 39 39 THR N N 39 120.476 120.476 119.486 0.990 19699 4979 1 8 . 1 1 39 39 THR C C 39 174.400 174.400 173.825 0.575 19699 4980 1 8 . 1 1 39 39 THR CA C 39 61.580 61.580 61.604 -0.024 19699 4981 1 8 . 1 1 39 39 THR CB C 39 70.182 70.182 70.337 -0.155 19699 4982 1 8 . 1 1 39 39 THR H H 39 9.073 9.073 9.010 0.063 19699 4983 1 8 . 1 1 40 40 LEU N N 40 129.561 129.561 127.762 1.799 19699 4984 1 8 . 1 1 40 40 LEU C C 40 173.008 173.008 175.616 -2.608 19699 4985 1 8 . 1 1 40 40 LEU H H 40 10.036 10.036 9.088 0.948 19699 4986 1 8 . 1 1 41 41 GLU N N 41 126.217 126.217 122.831 3.386 19699 4987 1 8 . 1 1 41 41 GLU C C 41 174.208 174.208 174.900 -0.692 19699 4988 1 8 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.467 -1.316 19699 4989 1 8 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.951 -2.859 19699 4990 1 8 . 1 1 41 41 GLU H H 41 8.504 8.504 8.333 0.171 19699 4991 1 8 . 1 1 42 42 TRP N N 42 131.942 131.942 127.604 4.338 19699 4992 1 8 . 1 1 42 42 TRP C C 42 174.332 174.332 175.831 -1.499 19699 4993 1 8 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.573 -1.489 19699 4994 1 8 . 1 1 42 42 TRP CB C 42 27.913 27.913 29.841 -1.928 19699 4995 1 8 . 1 1 42 42 TRP H H 42 9.446 9.446 9.069 0.377 19699 4996 1 8 . 1 1 43 43 VAL N N 43 127.871 127.871 124.124 3.747 19699 4997 1 8 . 1 1 43 43 VAL C C 43 175.693 175.693 175.160 0.533 19699 4998 1 8 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.255 0.964 19699 4999 1 8 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.106 -2.652 19699 5000 1 8 . 1 1 43 43 VAL H H 43 9.065 9.065 9.424 -0.359 19699 5001 1 8 . 1 1 44 44 VAL N N 44 129.882 129.882 127.120 2.762 19699 5002 1 8 . 1 1 44 44 VAL C C 44 176.740 176.740 176.381 0.359 19699 5003 1 8 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.355 -0.180 19699 5004 1 8 . 1 1 44 44 VAL CB C 44 28.485 28.485 31.870 -3.385 19699 5005 1 8 . 1 1 44 44 VAL H H 44 8.895 8.895 9.085 -0.190 19699 5006 1 8 . 1 1 45 45 VAL N N 45 125.719 125.719 129.704 -3.985 19699 5007 1 8 . 1 1 45 45 VAL C C 45 179.320 179.320 176.571 2.749 19699 5008 1 8 . 1 1 45 45 VAL CA C 45 66.862 66.862 66.036 0.826 19699 5009 1 8 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.065 -0.860 19699 5010 1 8 . 1 1 45 45 VAL H H 45 7.462 7.462 8.466 -1.004 19699 5011 1 8 . 1 1 46 46 ASN N N 46 114.964 114.964 116.164 -1.200 19699 5012 1 8 . 1 1 46 46 ASN C C 46 175.545 175.545 176.018 -0.473 19699 5013 1 8 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.222 -0.412 19699 5014 1 8 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.549 -2.472 19699 5015 1 8 . 1 1 46 46 ASN H H 46 8.550 8.550 7.660 0.890 19699 5016 1 8 . 1 1 47 47 LEU N N 47 117.360 117.360 116.855 0.505 19699 5017 1 8 . 1 1 47 47 LEU C C 47 175.920 175.920 176.814 -0.894 19699 5018 1 8 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.919 -1.653 19699 5019 1 8 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.463 -0.818 19699 5020 1 8 . 1 1 47 47 LEU H H 47 7.023 7.023 7.734 -0.711 19699 5021 1 8 . 1 1 48 48 HIS N N 48 116.042 116.042 114.650 1.392 19699 5022 1 8 . 1 1 48 48 HIS C C 48 172.021 172.021 174.148 -2.127 19699 5023 1 8 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.334 -1.740 19699 5024 1 8 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.615 -0.385 19699 5025 1 8 . 1 1 48 48 HIS H H 48 7.581 7.581 7.686 -0.105 19699 5026 1 8 . 1 1 49 49 THR N N 49 107.923 107.923 111.534 -3.611 19699 5027 1 8 . 1 1 49 49 THR C C 49 171.828 171.828 172.376 -0.548 19699 5028 1 8 . 1 1 49 49 THR CA C 49 58.493 58.493 60.689 -2.196 19699 5029 1 8 . 1 1 49 49 THR CB C 49 68.152 68.152 71.393 -3.241 19699 5030 1 8 . 1 1 49 49 THR H H 49 7.011 7.011 7.970 -0.959 19699 5031 1 8 . 1 1 50 50 SER N N 50 114.393 114.393 115.290 -0.897 19699 5032 1 8 . 1 1 50 50 SER C C 50 172.904 172.904 173.117 -0.213 19699 5033 1 8 . 1 1 50 50 SER CA C 50 55.318 55.318 56.890 -1.572 19699 5034 1 8 . 1 1 50 50 SER CB C 50 66.748 66.748 66.388 0.360 19699 5035 1 8 . 1 1 50 50 SER H H 50 8.066 8.066 8.325 -0.259 19699 5036 1 8 . 1 1 51 51 VAL N N 51 123.100 123.100 120.342 2.758 19699 5037 1 8 . 1 1 51 51 VAL C C 51 176.585 176.585 175.554 1.031 19699 5038 1 8 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.602 0.612 19699 5039 1 8 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.592 -1.241 19699 5040 1 8 . 1 1 51 51 VAL H H 51 8.667 8.667 8.525 0.142 19699 5041 1 8 . 1 1 52 52 ASP N N 52 129.313 129.313 128.628 0.685 19699 5042 1 8 . 1 1 52 52 ASP C C 52 173.916 173.916 174.877 -0.961 19699 5043 1 8 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.561 2.181 19699 5044 1 8 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.094 0.834 19699 5045 1 8 . 1 1 52 52 ASP H H 52 9.402 9.402 8.546 0.856 19699 5046 1 8 . 1 1 53 53 VAL N N 53 118.437 118.437 122.727 -4.290 19699 5047 1 8 . 1 1 53 53 VAL C C 53 175.402 175.402 173.412 1.990 19699 5048 1 8 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.615 -1.847 19699 5049 1 8 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.688 0.158 19699 5050 1 8 . 1 1 53 53 VAL H H 53 7.080 7.080 8.419 -1.339 19699 5051 1 8 . 1 1 54 54 THR N N 54 115.972 115.972 118.495 -2.523 19699 5052 1 8 . 1 1 54 54 THR C C 54 174.081 174.081 173.418 0.663 19699 5053 1 8 . 1 1 54 54 THR CA C 54 58.682 58.682 59.858 -1.175 19699 5054 1 8 . 1 1 54 54 THR CB C 54 70.590 70.590 71.876 -1.286 19699 5055 1 8 . 1 1 54 54 THR H H 54 9.682 9.682 8.988 0.694 19699 5056 1 8 . 1 1 55 55 SER N N 55 117.493 117.493 118.268 -0.775 19699 5057 1 8 . 1 1 55 55 SER C C 55 172.532 172.532 172.973 -0.441 19699 5058 1 8 . 1 1 55 55 SER CA C 55 58.440 58.440 57.019 1.421 19699 5059 1 8 . 1 1 55 55 SER CB C 55 64.406 64.406 65.064 -0.658 19699 5060 1 8 . 1 1 55 55 SER H H 55 9.115 9.115 8.470 0.645 19699 5061 1 8 . 1 1 56 56 TYR N N 56 127.570 127.570 126.699 0.871 19699 5062 1 8 . 1 1 56 56 TYR C C 56 173.235 173.235 175.470 -2.235 19699 5063 1 8 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.327 1.964 19699 5064 1 8 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.824 -0.190 19699 5065 1 8 . 1 1 56 56 TYR H H 56 8.706 8.706 9.360 -0.653 19699 5066 1 8 . 1 1 57 57 TYR N N 57 126.921 126.921 120.830 6.091 19699 5067 1 8 . 1 1 57 57 TYR C C 57 175.189 175.189 175.044 0.145 19699 5068 1 8 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.276 -1.865 19699 5069 1 8 . 1 1 57 57 TYR CB C 57 40.543 40.543 43.089 -2.546 19699 5070 1 8 . 1 1 57 57 TYR H H 57 9.160 9.160 9.711 -0.551 19699 5071 1 8 . 1 1 58 58 GLU N N 58 114.689 114.689 121.491 -6.802 19699 5072 1 8 . 1 1 58 58 GLU C C 58 176.098 176.098 174.833 1.265 19699 5073 1 8 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.300 0.021 19699 5074 1 8 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.206 -0.209 19699 5075 1 8 . 1 1 58 58 GLU H H 58 7.814 7.814 8.965 -1.151 19699 5076 1 8 . 1 1 59 59 SER N N 59 118.144 118.144 120.659 -2.515 19699 5077 1 8 . 1 1 59 59 SER C C 59 172.474 172.474 173.156 -0.682 19699 5078 1 8 . 1 1 59 59 SER CA C 59 56.261 56.261 56.431 -0.170 19699 5079 1 8 . 1 1 59 59 SER CB C 59 67.299 67.299 65.197 2.102 19699 5080 1 8 . 1 1 59 59 SER H H 59 9.059 9.059 8.822 0.237 19699 5081 1 8 . 1 1 60 60 SER N N 60 120.314 120.314 113.844 6.470 19699 5082 1 8 . 1 1 60 60 SER CA C 60 56.956 56.956 56.470 0.486 19699 5083 1 8 . 1 1 60 60 SER CB C 60 65.027 65.027 64.211 0.816 19699 5084 1 8 . 1 1 60 60 SER H H 60 9.489 9.489 8.667 0.822 19699 5085 1 8 . 1 1 61 61 PRO C C 61 175.753 175.753 176.985 -1.232 19699 5086 1 8 . 1 1 62 62 ASN N N 62 110.807 110.807 112.302 -1.495 19699 5087 1 8 . 1 1 62 62 ASN C C 62 174.630 174.630 175.158 -0.528 19699 5088 1 8 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.316 -1.906 19699 5089 1 8 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.413 -0.456 19699 5090 1 8 . 1 1 62 62 ASN H H 62 7.693 7.693 7.997 -0.304 19699 5091 1 8 . 1 1 63 63 SER N N 63 115.903 115.903 116.776 -0.873 19699 5092 1 8 . 1 1 63 63 SER C C 63 171.926 171.926 173.600 -1.674 19699 5093 1 8 . 1 1 63 63 SER CA C 63 57.927 57.927 57.300 0.627 19699 5094 1 8 . 1 1 63 63 SER CB C 63 64.472 64.472 64.796 -0.324 19699 5095 1 8 . 1 1 63 63 SER H H 63 7.636 7.636 8.287 -0.651 19699 5096 1 8 . 1 1 64 64 GLU N N 64 128.229 128.229 125.558 2.671 19699 5097 1 8 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.243 1.084 19699 5098 1 8 . 1 1 64 64 GLU CB C 64 25.436 25.436 30.082 -4.646 19699 5099 1 8 . 1 1 64 64 GLU H H 64 9.432 9.432 8.686 0.746 19699 5100 1 8 . 1 1 65 65 PRO C C 65 175.912 175.912 176.376 -0.464 19699 5101 1 8 . 1 1 66 66 ARG N N 66 125.093 125.093 123.218 1.875 19699 5102 1 8 . 1 1 66 66 ARG C C 66 175.221 175.221 175.200 0.021 19699 5103 1 8 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.170 0.583 19699 5104 1 8 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.307 -2.135 19699 5105 1 8 . 1 1 66 66 ARG H H 66 8.054 8.054 8.735 -0.681 19699 5106 1 8 . 1 1 67 67 PHE N N 67 126.028 126.028 122.559 3.469 19699 5107 1 8 . 1 1 67 67 PHE C C 67 174.478 174.478 174.911 -0.433 19699 5108 1 8 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.204 -0.308 19699 5109 1 8 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.512 -0.458 19699 5110 1 8 . 1 1 67 67 PHE H H 67 9.078 9.078 8.929 0.149 19699 5111 1 8 . 1 1 68 68 LEU N N 68 127.080 127.080 128.845 -1.765 19699 5112 1 8 . 1 1 68 68 LEU C C 68 175.994 175.994 175.604 0.390 19699 5113 1 8 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.758 -0.886 19699 5114 1 8 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.413 1.363 19699 5115 1 8 . 1 1 68 68 LEU H H 68 8.477 8.477 8.548 -0.071 19699 5116 1 8 . 1 1 69 69 ARG N N 69 111.037 111.037 111.630 -0.593 19699 5117 1 8 . 1 1 69 69 ARG C C 69 172.738 172.738 173.352 -0.614 19699 5118 1 8 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.559 0.366 19699 5119 1 8 . 1 1 69 69 ARG CB C 69 29.729 29.729 31.969 -2.240 19699 5120 1 8 . 1 1 69 69 ARG H H 69 6.560 6.560 7.003 -0.443 19699 5121 1 8 . 1 1 70 70 ALA N N 70 124.959 124.959 122.936 2.023 19699 5122 1 8 . 1 1 70 70 ALA C C 70 177.538 177.538 175.972 1.566 19699 5123 1 8 . 1 1 70 70 ALA CA C 70 50.155 50.155 51.113 -0.958 19699 5124 1 8 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.195 -3.595 19699 5125 1 8 . 1 1 70 70 ALA H H 70 8.749 8.749 8.387 0.362 19699 5126 1 8 . 1 1 71 71 ILE N N 71 120.318 120.318 123.002 -2.684 19699 5127 1 8 . 1 1 71 71 ILE C C 71 174.971 174.971 175.217 -0.246 19699 5128 1 8 . 1 1 71 71 ILE CA C 71 59.181 59.181 60.189 -1.008 19699 5129 1 8 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.132 -1.632 19699 5130 1 8 . 1 1 71 71 ILE H H 71 8.532 8.532 9.012 -0.480 19699 5131 1 8 . 1 1 72 72 LEU N N 72 124.858 124.858 125.821 -0.963 19699 5132 1 8 . 1 1 72 72 LEU C C 72 176.383 176.383 177.277 -0.894 19699 5133 1 8 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.209 0.937 19699 5134 1 8 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.589 -2.054 19699 5135 1 8 . 1 1 72 72 LEU H H 72 8.370 8.370 8.725 -0.355 19699 5136 1 8 . 1 1 73 73 ASN N N 73 118.206 118.206 120.836 -2.630 19699 5137 1 8 . 1 1 73 73 ASN C C 73 174.181 174.181 175.618 -1.437 19699 5138 1 8 . 1 1 73 73 ASN CA C 73 50.689 50.689 53.083 -2.394 19699 5139 1 8 . 1 1 73 73 ASN CB C 73 36.110 36.110 36.567 -0.457 19699 5140 1 8 . 1 1 73 73 ASN H H 73 8.220 8.220 9.255 -1.035 19699 5141 1 8 . 1 1 74 74 PHE N N 74 123.331 123.331 124.036 -0.705 19699 5142 1 8 . 1 1 74 74 PHE C C 74 176.458 176.458 175.732 0.726 19699 5143 1 8 . 1 1 74 74 PHE CA C 74 59.394 59.394 60.348 -0.954 19699 5144 1 8 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.809 -0.261 19699 5145 1 8 . 1 1 74 74 PHE H H 74 7.606 7.606 8.242 -0.636 19699 5146 1 8 . 1 1 75 75 THR N N 75 109.350 109.350 112.213 -2.863 19699 5147 1 8 . 1 1 75 75 THR H H 75 7.826 7.826 8.036 -0.210 19699 5148 1 8 . 1 1 76 76 PRO C C 76 176.832 176.832 176.414 0.418 19699 5149 1 8 . 1 1 77 77 MET N N 77 122.265 122.265 118.771 3.494 19699 5150 1 8 . 1 1 77 77 MET C C 77 176.515 176.515 175.290 1.225 19699 5151 1 8 . 1 1 77 77 MET CA C 77 55.525 55.525 55.039 0.486 19699 5152 1 8 . 1 1 77 77 MET CB C 77 30.039 30.039 32.088 -2.049 19699 5153 1 8 . 1 1 77 77 MET H H 77 8.404 8.404 8.373 0.031 19699 5154 1 8 . 1 1 78 78 HIS N N 78 123.575 123.575 119.334 4.241 19699 5155 1 8 . 1 1 78 78 HIS C C 78 175.951 175.951 175.802 0.149 19699 5156 1 8 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.667 -0.093 19699 5157 1 8 . 1 1 78 78 HIS CB C 78 29.895 29.895 29.606 0.289 19699 5158 1 8 . 1 1 78 78 HIS H H 78 8.469 8.469 8.028 0.441 19699 5159 1 8 . 1 1 80 80 LEU C C 80 177.711 177.711 176.336 1.375 19699 5160 1 8 . 1 1 81 81 ARG N N 81 119.707 119.707 121.085 -1.378 19699 5161 1 8 . 1 1 81 81 ARG C C 81 177.060 177.060 175.556 1.504 19699 5162 1 8 . 1 1 81 81 ARG H H 81 8.368 8.368 8.327 0.041 19699 5163 1 8 . 1 1 82 82 THR N N 82 114.163 114.163 112.289 1.874 19699 5164 1 8 . 1 1 82 82 THR C C 82 174.712 174.712 173.461 1.251 19699 5165 1 8 . 1 1 82 82 THR CA C 82 62.533 62.533 63.065 -0.532 19699 5166 1 8 . 1 1 82 82 THR H H 82 7.936 7.936 8.095 -0.159 19699 5167 1 8 . 1 1 83 83 LYS N N 83 121.875 121.875 119.737 2.138 19699 5168 1 8 . 1 1 83 83 LYS C C 83 175.855 175.855 176.765 -0.910 19699 5169 1 8 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.192 0.508 19699 5170 1 8 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.188 -0.866 19699 5171 1 8 . 1 1 83 83 LYS H H 83 8.092 8.092 7.665 0.427 19699 5172 1 8 . 1 1 84 84 ASN N N 84 118.272 118.272 121.655 -3.383 19699 5173 1 8 . 1 1 84 84 ASN C C 84 176.216 176.216 174.863 1.353 19699 5174 1 8 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.869 -0.267 19699 5175 1 8 . 1 1 84 84 ASN CB C 84 38.706 38.706 37.612 1.094 19699 5176 1 8 . 1 1 84 84 ASN H H 84 8.163 8.163 8.695 -0.532 19699 5177 1 8 . 1 1 85 85 LEU N N 85 123.394 123.394 123.666 -0.272 19699 5178 1 8 . 1 1 85 85 LEU C C 85 176.987 176.987 176.997 -0.010 19699 5179 1 8 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.618 -0.352 19699 5180 1 8 . 1 1 85 85 LEU CB C 85 40.497 40.497 42.915 -2.418 19699 5181 1 8 . 1 1 85 85 LEU H H 85 8.382 8.382 7.881 0.501 19699 5182 1 8 . 1 1 86 86 LEU N N 86 122.330 122.330 122.459 -0.129 19699 5183 1 8 . 1 1 86 86 LEU C C 86 175.867 175.867 176.756 -0.889 19699 5184 1 8 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.897 -0.282 19699 5185 1 8 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.265 0.223 19699 5186 1 8 . 1 1 86 86 LEU H H 86 8.350 8.350 8.579 -0.229 19699 5187 1 8 . 1 1 87 87 LYS N N 87 121.964 121.964 122.450 -0.486 19699 5188 1 8 . 1 1 87 87 LYS C C 87 179.215 179.215 178.356 0.859 19699 5189 1 8 . 1 1 87 87 LYS CA C 87 54.413 54.413 53.690 0.723 19699 5190 1 8 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.215 1.704 19699 5191 1 8 . 1 1 87 87 LYS H H 87 9.560 9.560 9.008 0.552 19699 5192 1 8 . 1 1 88 88 VAL N N 88 124.714 124.714 123.137 1.577 19699 5193 1 8 . 1 1 88 88 VAL C C 88 181.289 181.289 178.437 2.852 19699 5194 1 8 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.789 -0.058 19699 5195 1 8 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.843 -1.747 19699 5196 1 8 . 1 1 88 88 VAL H H 88 8.331 8.331 8.846 -0.515 19699 5197 1 8 . 1 1 89 89 LYS N N 89 119.721 119.721 117.228 2.493 19699 5198 1 8 . 1 1 89 89 LYS C C 89 176.988 176.988 177.051 -0.063 19699 5199 1 8 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.373 -3.640 19699 5200 1 8 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.498 -1.061 19699 5201 1 8 . 1 1 89 89 LYS H H 89 8.356 8.356 8.362 -0.006 19699 5202 1 8 . 1 1 90 90 ASP N N 90 117.057 117.057 118.461 -1.404 19699 5203 1 8 . 1 1 90 90 ASP C C 90 174.938 174.938 175.982 -1.044 19699 5204 1 8 . 1 1 90 90 ASP CA C 90 54.722 54.722 55.271 -0.549 19699 5205 1 8 . 1 1 90 90 ASP CB C 90 42.585 42.585 42.073 0.512 19699 5206 1 8 . 1 1 90 90 ASP H H 90 7.613 7.613 7.838 -0.225 19699 5207 1 8 . 1 1 91 91 GLY N N 91 104.457 104.457 104.812 -0.355 19699 5208 1 8 . 1 1 91 91 GLY C C 91 172.136 172.136 172.661 -0.525 19699 5209 1 8 . 1 1 91 91 GLY CA C 91 44.478 44.478 44.550 -0.072 19699 5210 1 8 . 1 1 91 91 GLY H H 91 8.078 8.078 7.923 0.155 19699 5211 1 8 . 1 1 92 92 PHE N N 92 117.903 117.903 118.290 -0.387 19699 5212 1 8 . 1 1 92 92 PHE C C 92 173.925 173.925 173.706 0.219 19699 5213 1 8 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.366 0.407 19699 5214 1 8 . 1 1 92 92 PHE CB C 92 42.583 42.583 43.716 -1.133 19699 5215 1 8 . 1 1 92 92 PHE H H 92 7.038 7.038 7.829 -0.791 19699 5216 1 8 . 1 1 93 93 GLN N N 93 123.497 123.497 121.907 1.590 19699 5217 1 8 . 1 1 93 93 GLN C C 93 173.550 173.550 174.020 -0.470 19699 5218 1 8 . 1 1 93 93 GLN CA C 93 53.751 53.751 55.069 -1.318 19699 5219 1 8 . 1 1 93 93 GLN CB C 93 33.893 33.893 31.833 2.060 19699 5220 1 8 . 1 1 93 93 GLN H H 93 8.716 8.716 8.963 -0.247 19699 5221 1 8 . 1 1 94 94 VAL N N 94 130.740 130.740 128.794 1.946 19699 5222 1 8 . 1 1 94 94 VAL C C 94 176.502 176.502 175.468 1.034 19699 5223 1 8 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.893 -0.362 19699 5224 1 8 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.092 -0.945 19699 5225 1 8 . 1 1 94 94 VAL H H 94 9.180 9.180 8.458 0.722 19699 5226 1 8 . 1 1 95 95 ASP N N 95 128.925 128.925 127.865 1.060 19699 5227 1 8 . 1 1 95 95 ASP C C 95 175.655 175.655 175.862 -0.207 19699 5228 1 8 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.484 -0.182 19699 5229 1 8 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.521 -1.420 19699 5230 1 8 . 1 1 95 95 ASP H H 95 8.397 8.397 8.842 -0.445 19699 5231 1 8 . 1 1 96 96 ASN N N 96 126.934 126.934 124.145 2.789 19699 5232 1 8 . 1 1 96 96 ASN C C 96 176.193 176.193 174.819 1.374 19699 5233 1 8 . 1 1 96 96 ASN CA C 96 51.702 51.702 51.895 -0.193 19699 5234 1 8 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.400 0.384 19699 5235 1 8 . 1 1 96 96 ASN H H 96 8.367 8.367 8.566 -0.199 19699 5236 1 8 . 1 1 97 97 SER N N 97 117.606 117.606 116.093 1.513 19699 5237 1 8 . 1 1 97 97 SER C C 97 176.522 176.522 174.877 1.645 19699 5238 1 8 . 1 1 97 97 SER CA C 97 58.237 58.237 57.215 1.022 19699 5239 1 8 . 1 1 97 97 SER CB C 97 63.473 63.473 64.621 -1.147 19699 5240 1 8 . 1 1 97 97 SER H H 97 8.645 8.645 8.771 -0.126 19699 5241 1 8 . 1 1 98 98 THR N N 98 115.391 115.391 118.614 -3.223 19699 5242 1 8 . 1 1 98 98 THR C C 98 175.591 175.591 175.481 0.110 19699 5243 1 8 . 1 1 98 98 THR CA C 98 61.477 61.477 62.613 -1.136 19699 5244 1 8 . 1 1 98 98 THR CB C 98 68.670 68.670 68.869 -0.199 19699 5245 1 8 . 1 1 98 98 THR H H 98 8.722 8.722 8.964 -0.242 19699 5246 1 8 . 1 1 99 99 ASP N N 99 120.196 120.196 121.245 -1.049 19699 5247 1 8 . 1 1 99 99 ASP C C 99 176.485 176.485 177.329 -0.844 19699 5248 1 8 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.634 -1.457 19699 5249 1 8 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.243 1.013 19699 5250 1 8 . 1 1 99 99 ASP H H 99 8.326 8.326 8.091 0.235 19699 5251 1 8 . 1 1 100 100 ASN N N 100 118.377 118.377 117.911 0.466 19699 5252 1 8 . 1 1 100 100 ASN C C 100 176.916 176.916 176.727 0.189 19699 5253 1 8 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.398 -1.630 19699 5254 1 8 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.090 -1.142 19699 5255 1 8 . 1 1 100 100 ASN H H 100 7.905 7.905 8.038 -0.133 19699 5256 1 8 . 1 1 101 101 GLY N N 101 110.470 110.470 105.899 4.571 19699 5257 1 8 . 1 1 101 101 GLY C C 101 173.824 173.824 174.734 -0.910 19699 5258 1 8 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.605 -0.147 19699 5259 1 8 . 1 1 101 101 GLY H H 101 8.450 8.450 8.593 -0.143 19699 5260 1 8 . 1 1 102 102 ASN N N 102 121.816 121.816 118.868 2.948 19699 5261 1 8 . 1 1 102 102 ASN C C 102 174.402 174.402 175.171 -0.769 19699 5262 1 8 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.579 -1.133 19699 5263 1 8 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.982 1.512 19699 5264 1 8 . 1 1 102 102 ASN H H 102 8.707 8.707 8.308 0.399 19699 5265 1 8 . 1 1 103 103 GLY N N 103 108.784 108.784 106.915 1.869 19699 5266 1 8 . 1 1 103 103 GLY C C 103 174.814 174.814 174.052 0.762 19699 5267 1 8 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.423 1.783 19699 5268 1 8 . 1 1 103 103 GLY H H 103 7.977 7.977 7.827 0.150 19699 5269 1 8 . 1 1 104 104 GLY N N 104 114.736 114.736 112.939 1.797 19699 5270 1 8 . 1 1 104 104 GLY C C 104 174.470 174.470 174.380 0.090 19699 5271 1 8 . 1 1 104 104 GLY CA C 104 45.274 45.274 45.119 0.155 19699 5272 1 8 . 1 1 104 104 GLY H H 104 8.589 8.589 8.822 -0.233 19699 5273 1 8 . 1 1 105 105 ASN N N 105 120.001 120.001 121.354 -1.353 19699 5274 1 8 . 1 1 105 105 ASN C C 105 171.914 171.914 173.853 -1.939 19699 5275 1 8 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.911 -1.859 19699 5276 1 8 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.453 -2.874 19699 5277 1 8 . 1 1 105 105 ASN H H 105 7.561 7.561 7.695 -0.134 19699 5278 1 8 . 1 1 106 106 LEU N N 106 122.396 122.396 124.217 -1.821 19699 5279 1 8 . 1 1 106 106 LEU C C 106 175.196 175.196 174.774 0.422 19699 5280 1 8 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.565 -0.607 19699 5281 1 8 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.159 -1.418 19699 5282 1 8 . 1 1 106 106 LEU H H 106 7.775 7.775 7.844 -0.069 19699 5283 1 8 . 1 1 107 107 TYR N N 107 123.722 123.722 126.912 -3.190 19699 5284 1 8 . 1 1 107 107 TYR C C 107 175.955 175.955 175.811 0.144 19699 5285 1 8 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.219 -1.340 19699 5286 1 8 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.294 0.268 19699 5287 1 8 . 1 1 107 107 TYR H H 107 9.210 9.210 9.243 -0.033 19699 5288 1 8 . 1 1 108 108 VAL N N 108 121.472 121.472 124.134 -2.662 19699 5289 1 8 . 1 1 108 108 VAL C C 108 177.065 177.065 175.431 1.634 19699 5290 1 8 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.937 -0.902 19699 5291 1 8 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.334 -1.293 19699 5292 1 8 . 1 1 108 108 VAL H H 108 8.991 8.991 8.808 0.183 19699 5293 1 8 . 1 1 109 109 TYR N N 109 129.064 129.064 127.693 1.371 19699 5294 1 8 . 1 1 109 109 TYR CA C 109 57.187 57.187 57.130 0.057 19699 5295 1 8 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.125 -0.902 19699 5296 1 8 . 1 1 109 109 TYR H H 109 9.242 9.242 8.886 0.356 19699 5297 1 8 . 1 1 110 110 PRO C C 110 176.067 176.067 176.493 -0.426 19699 5298 1 8 . 1 1 111 111 ASN N N 111 112.749 112.749 115.970 -3.221 19699 5299 1 8 . 1 1 111 111 ASN C C 111 175.296 175.296 175.350 -0.054 19699 5300 1 8 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.632 -0.660 19699 5301 1 8 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.004 -1.498 19699 5302 1 8 . 1 1 111 111 ASN H H 111 8.031 8.031 8.280 -0.249 19699 5303 1 8 . 1 1 112 112 ALA N N 112 124.990 124.990 122.512 2.478 19699 5304 1 8 . 1 1 112 112 ALA C C 112 178.295 178.295 177.008 1.287 19699 5305 1 8 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.746 0.465 19699 5306 1 8 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.780 -1.090 19699 5307 1 8 . 1 1 112 112 ALA H H 112 7.678 7.678 7.393 0.285 19699 5308 1 8 . 1 1 113 113 THR N N 113 116.898 116.898 115.915 0.983 19699 5309 1 8 . 1 1 113 113 THR C C 113 175.601 175.601 176.285 -0.684 19699 5310 1 8 . 1 1 113 113 THR CA C 113 63.391 63.391 63.371 0.020 19699 5311 1 8 . 1 1 113 113 THR CB C 113 69.220 69.220 69.462 -0.242 19699 5312 1 8 . 1 1 113 113 THR H H 113 8.530 8.530 8.142 0.388 19699 5313 1 8 . 1 1 114 114 THR N N 114 122.908 122.908 119.906 3.002 19699 5314 1 8 . 1 1 114 114 THR C C 114 175.178 175.178 176.696 -1.518 19699 5315 1 8 . 1 1 114 114 THR CA C 114 63.941 63.941 64.748 -0.807 19699 5316 1 8 . 1 1 114 114 THR CB C 114 68.628 68.628 68.437 0.191 19699 5317 1 8 . 1 1 114 114 THR H H 114 8.530 8.530 8.445 0.085 19699 5318 1 8 . 1 1 115 115 GLY N N 115 114.662 114.662 109.240 5.422 19699 5319 1 8 . 1 1 115 115 GLY C C 115 175.853 175.853 175.666 0.187 19699 5320 1 8 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.671 -1.611 19699 5321 1 8 . 1 1 115 115 GLY H H 115 8.822 8.822 8.346 0.476 19699 5322 1 8 . 1 1 116 116 SER N N 116 118.029 118.029 115.588 2.441 19699 5323 1 8 . 1 1 116 116 SER C C 116 176.740 176.740 176.668 0.072 19699 5324 1 8 . 1 1 116 116 SER CA C 116 61.370 61.370 60.151 1.219 19699 5325 1 8 . 1 1 116 116 SER CB C 116 62.652 62.652 63.306 -0.654 19699 5326 1 8 . 1 1 116 116 SER H H 116 8.138 8.138 7.320 0.818 19699 5327 1 8 . 1 1 117 117 ALA N N 117 124.981 124.981 125.769 -0.788 19699 5328 1 8 . 1 1 117 117 ALA C C 117 178.629 178.629 179.878 -1.249 19699 5329 1 8 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.157 -0.427 19699 5330 1 8 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.321 -1.028 19699 5331 1 8 . 1 1 117 117 ALA H H 117 8.787 8.787 7.995 0.792 19699 5332 1 8 . 1 1 118 118 ASP N N 118 115.338 115.338 116.542 -1.204 19699 5333 1 8 . 1 1 118 118 ASP C C 118 176.339 176.339 177.047 -0.708 19699 5334 1 8 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.184 -0.937 19699 5335 1 8 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.649 -0.395 19699 5336 1 8 . 1 1 118 118 ASP H H 118 7.937 7.937 8.209 -0.272 19699 5337 1 8 . 1 1 119 119 SER N N 119 115.239 115.239 113.840 1.399 19699 5338 1 8 . 1 1 119 119 SER C C 119 173.992 173.992 174.212 -0.220 19699 5339 1 8 . 1 1 119 119 SER CA C 119 57.490 57.490 57.544 -0.054 19699 5340 1 8 . 1 1 119 119 SER CB C 119 64.406 64.406 63.408 0.998 19699 5341 1 8 . 1 1 119 119 SER H H 119 7.831 7.831 7.699 0.132 19699 5342 1 8 . 1 1 120 120 VAL N N 120 124.259 124.259 125.015 -0.756 19699 5343 1 8 . 1 1 120 120 VAL C C 120 175.395 175.395 175.984 -0.589 19699 5344 1 8 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.813 -1.681 19699 5345 1 8 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.092 -0.800 19699 5346 1 8 . 1 1 120 120 VAL H H 120 7.360 7.360 7.294 0.066 19699 5347 1 8 . 1 1 121 121 ARG N N 121 129.213 129.213 125.212 4.001 19699 5348 1 8 . 1 1 121 121 ARG C C 121 174.280 174.280 173.963 0.317 19699 5349 1 8 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.622 2.401 19699 5350 1 8 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.579 -1.276 19699 5351 1 8 . 1 1 121 121 ARG H H 121 9.752 9.752 9.107 0.645 19699 5352 1 8 . 1 1 122 122 CYS N N 122 119.036 119.036 121.798 -2.762 19699 5353 1 8 . 1 1 122 122 CYS C C 122 174.282 174.282 173.518 0.764 19699 5354 1 8 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.001 -2.192 19699 5355 1 8 . 1 1 122 122 CYS CB C 122 46.263 46.263 28.325 17.938 19699 5356 1 8 . 1 1 122 122 CYS H H 122 8.568 8.568 8.628 -0.060 19699 5357 1 8 . 1 1 123 123 ARG N N 123 124.532 124.532 129.593 -5.061 19699 5358 1 8 . 1 1 123 123 ARG C C 123 175.100 175.100 174.265 0.835 19699 5359 1 8 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.233 -0.075 19699 5360 1 8 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.842 -1.932 19699 5361 1 8 . 1 1 123 123 ARG H H 123 9.099 9.099 8.766 0.333 19699 5362 1 8 . 1 1 124 124 LEU N N 124 132.168 132.168 127.939 4.229 19699 5363 1 8 . 1 1 124 124 LEU C C 124 173.758 173.758 174.602 -0.844 19699 5364 1 8 . 1 1 124 124 LEU H H 124 10.076 10.076 9.155 0.921 19699 5365 1 8 . 1 1 125 125 ARG N N 125 128.271 128.271 128.964 -0.693 19699 5366 1 8 . 1 1 125 125 ARG C C 125 175.505 175.505 174.507 0.998 19699 5367 1 8 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.081 -0.480 19699 5368 1 8 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.205 -1.406 19699 5369 1 8 . 1 1 125 125 ARG H H 125 9.086 9.086 9.077 0.009 19699 5370 1 8 . 1 1 126 126 MET N N 126 108.020 108.020 128.385 -20.365 19699 5371 1 8 . 1 1 126 126 MET C C 126 174.911 174.911 173.928 0.983 19699 5372 1 8 . 1 1 126 126 MET CA C 126 54.118 54.118 54.611 -0.493 19699 5373 1 8 . 1 1 126 126 MET CB C 126 33.459 33.459 35.160 -1.701 19699 5374 1 8 . 1 1 126 126 MET H H 126 9.003 9.003 8.913 0.090 19699 5375 1 8 . 1 1 127 127 CYS N N 127 126.794 126.794 126.300 0.494 19699 5376 1 8 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.637 -3.452 19699 5377 1 8 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.467 19.795 19699 5378 1 8 . 1 1 127 127 CYS H H 127 8.849 8.849 8.798 0.051 19699 5379 1 8 . 1 1 128 128 PRO C C 128 174.880 174.880 175.420 -0.540 19699 5380 1 8 . 1 1 129 129 TRP N N 129 118.064 118.064 120.753 -2.689 19699 5381 1 8 . 1 1 129 129 TRP C C 129 173.252 173.252 176.188 -2.936 19699 5382 1 8 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.586 -0.250 19699 5383 1 8 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.750 -0.704 19699 5384 1 8 . 1 1 129 129 TRP H H 129 7.775 7.775 8.607 -0.832 19699 5385 1 8 . 1 1 130 130 THR N N 130 112.900 112.900 113.021 -0.121 19699 5386 1 8 . 1 1 130 130 THR C C 130 172.690 172.690 173.630 -0.940 19699 5387 1 8 . 1 1 130 130 THR CA C 130 58.923 58.923 60.025 -1.102 19699 5388 1 8 . 1 1 130 130 THR CB C 130 69.380 69.380 71.449 -2.069 19699 5389 1 8 . 1 1 130 130 THR H H 130 8.810 8.810 8.412 0.398 19699 5390 1 8 . 1 1 131 131 SER N N 131 122.448 122.448 115.741 6.707 19699 5391 1 8 . 1 1 131 131 SER C C 131 174.399 174.399 173.838 0.561 19699 5392 1 8 . 1 1 131 131 SER CA C 131 58.582 58.582 57.739 0.843 19699 5393 1 8 . 1 1 131 131 SER CB C 131 63.356 63.356 64.451 -1.095 19699 5394 1 8 . 1 1 131 131 SER H H 131 8.898 8.898 8.635 0.263 19699 5395 1 8 . 1 1 132 132 ASN N N 132 124.196 124.196 121.862 2.334 19699 5396 1 8 . 1 1 132 132 ASN C C 132 175.577 175.577 175.962 -0.385 19699 5397 1 8 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.748 0.419 19699 5398 1 8 . 1 1 132 132 ASN CB C 132 38.071 38.071 39.189 -1.118 19699 5399 1 8 . 1 1 132 132 ASN H H 132 8.785 8.785 7.481 1.304 19699 5400 1 8 . 1 1 133 133 SER N N 133 120.691 120.691 123.323 -2.632 19699 5401 1 8 . 1 1 133 133 SER C C 133 174.574 174.574 175.500 -0.926 19699 5402 1 8 . 1 1 133 133 SER CA C 133 59.820 59.820 60.174 -0.354 19699 5403 1 8 . 1 1 133 133 SER CB C 133 62.342 62.342 63.090 -0.748 19699 5404 1 8 . 1 1 133 133 SER H H 133 8.580 8.580 8.730 -0.150 19699 5405 1 8 . 1 1 134 134 LYS N N 134 119.450 119.450 119.540 -0.090 19699 5406 1 8 . 1 1 134 134 LYS C C 134 176.698 176.698 176.911 -0.213 19699 5407 1 8 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.929 -1.242 19699 5408 1 8 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.648 -1.288 19699 5409 1 8 . 1 1 134 134 LYS H H 134 7.904 7.904 8.110 -0.206 19699 5410 1 8 . 1 1 135 135 MET N N 135 121.695 121.695 119.035 2.660 19699 5411 1 8 . 1 1 135 135 MET C C 135 175.354 175.354 176.008 -0.654 19699 5412 1 8 . 1 1 135 135 MET CA C 135 55.498 55.498 55.795 -0.297 19699 5413 1 8 . 1 1 135 135 MET CB C 135 33.295 33.295 33.163 0.131 19699 5414 1 8 . 1 1 135 135 MET H H 135 7.343 7.343 7.524 -0.181 19699 5415 1 8 . 1 1 136 136 THR N N 136 114.220 114.220 111.682 2.538 19699 5416 1 8 . 1 1 136 136 THR C C 136 173.806 173.806 173.204 0.602 19699 5417 1 8 . 1 1 136 136 THR CA C 136 61.228 61.228 61.161 0.067 19699 5418 1 8 . 1 1 136 136 THR CB C 136 69.201 69.201 69.833 -0.632 19699 5419 1 8 . 1 1 136 136 THR H H 136 8.633 8.633 8.384 0.249 19699 5420 1 8 . 1 1 137 137 ALA N N 137 125.205 125.205 122.464 2.741 19699 5421 1 8 . 1 1 137 137 ALA C C 137 173.600 173.600 174.500 -0.900 19699 5422 1 8 . 1 1 137 137 ALA CA C 137 49.842 49.842 49.996 -0.154 19699 5423 1 8 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.723 -1.595 19699 5424 1 8 . 1 1 137 137 ALA H H 137 7.637 7.637 7.442 0.195 19699 5425 1 8 . 1 1 138 138 PRO C C 138 175.117 175.117 175.760 -0.643 19699 5426 1 8 . 1 1 139 139 ASP N N 139 121.528 121.528 120.420 1.108 19699 5427 1 8 . 1 1 139 139 ASP C C 139 174.966 174.966 177.042 -2.076 19699 5428 1 8 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.050 -0.473 19699 5429 1 8 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.421 -0.678 19699 5430 1 8 . 1 1 139 139 ASP H H 139 7.299 7.299 8.117 -0.818 19699 5431 1 8 . 1 1 140 140 GLU N N 140 118.631 118.631 119.837 -1.206 19699 5432 1 8 . 1 1 140 140 GLU C C 140 178.914 178.914 178.420 0.494 19699 5433 1 8 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.449 -0.643 19699 5434 1 8 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.685 -1.167 19699 5435 1 8 . 1 1 140 140 GLU H H 140 8.524 8.524 8.669 -0.145 19699 5436 1 8 . 1 1 141 141 GLU N N 141 119.900 119.900 119.207 0.693 19699 5437 1 8 . 1 1 141 141 GLU C C 141 178.162 178.162 179.012 -0.850 19699 5438 1 8 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.376 -0.727 19699 5439 1 8 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.295 -0.888 19699 5440 1 8 . 1 1 141 141 GLU H H 141 8.116 8.116 8.484 -0.368 19699 5441 1 8 . 1 1 142 142 MET N N 142 121.303 121.303 118.625 2.678 19699 5442 1 8 . 1 1 142 142 MET C C 142 178.689 178.689 178.927 -0.238 19699 5443 1 8 . 1 1 142 142 MET CA C 142 59.370 59.370 59.368 0.002 19699 5444 1 8 . 1 1 142 142 MET CB C 142 33.252 33.252 32.775 0.477 19699 5445 1 8 . 1 1 142 142 MET H H 142 7.989 7.989 8.954 -0.965 19699 5446 1 8 . 1 1 143 143 LEU N N 143 117.901 117.901 119.586 -1.685 19699 5447 1 8 . 1 1 143 143 LEU C C 143 180.619 180.619 178.472 2.147 19699 5448 1 8 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.704 0.109 19699 5449 1 8 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.569 -1.300 19699 5450 1 8 . 1 1 143 143 LEU H H 143 8.485 8.485 8.355 0.130 19699 5451 1 8 . 1 1 144 144 ARG N N 144 120.175 120.175 117.137 3.038 19699 5452 1 8 . 1 1 144 144 ARG C C 144 180.648 180.648 178.869 1.779 19699 5453 1 8 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.635 -0.385 19699 5454 1 8 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.244 -1.319 19699 5455 1 8 . 1 1 144 144 ARG H H 144 7.900 7.900 8.267 -0.367 19699 5456 1 8 . 1 1 145 145 LYS N N 145 119.936 119.936 119.196 0.740 19699 5457 1 8 . 1 1 145 145 LYS C C 145 178.813 178.813 179.013 -0.200 19699 5458 1 8 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.211 -0.587 19699 5459 1 8 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.467 -0.404 19699 5460 1 8 . 1 1 145 145 LYS H H 145 7.850 7.850 7.997 -0.147 19699 5461 1 8 . 1 1 146 146 MET N N 146 115.986 115.986 117.532 -1.546 19699 5462 1 8 . 1 1 146 146 MET C C 146 176.094 176.094 176.613 -0.519 19699 5463 1 8 . 1 1 146 146 MET CA C 146 55.267 55.267 55.906 -0.639 19699 5464 1 8 . 1 1 146 146 MET CB C 146 32.898 32.898 32.564 0.334 19699 5465 1 8 . 1 1 146 146 MET H H 146 7.776 7.776 8.191 -0.415 19699 5466 1 8 . 1 1 147 147 SER N N 147 119.679 119.679 116.551 3.128 19699 5467 1 8 . 1 1 147 147 SER C C 147 175.114 175.114 176.151 -1.037 19699 5468 1 8 . 1 1 147 147 SER CA C 147 62.736 62.736 62.040 0.696 19699 5469 1 8 . 1 1 147 147 SER CB C 147 62.105 62.105 63.044 -0.938 19699 5470 1 8 . 1 1 147 147 SER H H 147 7.430 7.430 7.810 -0.380 19699 5471 1 8 . 1 1 148 148 GLU N N 148 117.968 117.968 121.776 -3.808 19699 5472 1 8 . 1 1 148 148 GLU C C 148 179.313 179.313 177.627 1.686 19699 5473 1 8 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.702 0.374 19699 5474 1 8 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.428 0.110 19699 5475 1 8 . 1 1 148 148 GLU H H 148 9.216 9.216 8.278 0.938 19699 5476 1 8 . 1 1 149 149 VAL N N 149 115.349 115.349 117.949 -2.600 19699 5477 1 8 . 1 1 149 149 VAL C C 149 176.790 176.790 177.834 -1.044 19699 5478 1 8 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.692 -0.828 19699 5479 1 8 . 1 1 149 149 VAL H H 149 7.325 7.325 7.656 -0.331 19699 5480 1 8 . 1 1 150 150 LEU N N 150 119.724 119.724 120.781 -1.057 19699 5481 1 8 . 1 1 150 150 LEU C C 150 178.010 178.010 178.061 -0.051 19699 5482 1 8 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.588 -0.379 19699 5483 1 8 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.393 -1.967 19699 5484 1 8 . 1 1 150 150 LEU H H 150 7.387 7.387 8.331 -0.944 19699 5485 1 8 . 1 1 151 151 ASN N N 151 112.853 112.853 115.200 -2.347 19699 5486 1 8 . 1 1 151 151 ASN C C 151 176.682 176.682 175.475 1.207 19699 5487 1 8 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.298 -0.208 19699 5488 1 8 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.578 -0.282 19699 5489 1 8 . 1 1 151 151 ASN H H 151 7.593 7.593 7.778 -0.185 19699 5490 1 8 . 1 1 152 152 LEU N N 152 122.057 122.057 122.432 -0.375 19699 5491 1 8 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.906 0.547 19699 5492 1 8 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.425 -1.836 19699 5493 1 8 . 1 1 152 152 LEU H H 152 7.193 7.193 7.613 -0.420 19699 5494 1 8 . 1 1 153 153 PRO C C 153 177.670 177.670 175.525 2.145 19699 5495 1 8 . 1 1 154 154 ASN N N 154 121.894 121.894 119.406 2.488 19699 5496 1 8 . 1 1 154 154 ASN C C 154 176.786 176.786 175.119 1.667 19699 5497 1 8 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.553 -0.796 19699 5498 1 8 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.461 -1.632 19699 5499 1 8 . 1 1 154 154 ASN H H 154 8.824 8.824 8.550 0.274 19699 5500 1 8 . 1 1 155 155 TYR N N 155 124.386 124.386 125.584 -1.198 19699 5501 1 8 . 1 1 155 155 TYR C C 155 173.048 173.048 173.394 -0.346 19699 5502 1 8 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.315 -2.592 19699 5503 1 8 . 1 1 155 155 TYR CB C 155 39.711 39.711 40.820 -1.109 19699 5504 1 8 . 1 1 155 155 TYR H H 155 8.245 8.245 8.595 -0.350 19699 5505 1 9 . 1 1 2 2 HIS N N 2 122.591 122.591 124.933 -2.342 19699 5506 1 9 . 1 1 2 2 HIS C C 2 174.514 174.514 174.838 -0.324 19699 5507 1 9 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.368 -1.067 19699 5508 1 9 . 1 1 2 2 HIS CB C 2 28.454 28.454 29.621 -1.167 19699 5509 1 9 . 1 1 2 2 HIS H H 2 8.695 8.695 8.797 -0.102 19699 5510 1 9 . 1 1 3 3 SER N N 3 120.223 120.223 120.766 -0.543 19699 5511 1 9 . 1 1 3 3 SER C C 3 175.623 175.623 174.706 0.917 19699 5512 1 9 . 1 1 3 3 SER CA C 3 58.703 58.703 58.886 -0.183 19699 5513 1 9 . 1 1 3 3 SER CB C 3 63.275 63.275 63.586 -0.311 19699 5514 1 9 . 1 1 3 3 SER H H 3 8.797 8.797 8.130 0.667 19699 5515 1 9 . 1 1 4 4 LEU N N 4 126.300 126.300 126.764 -0.464 19699 5516 1 9 . 1 1 4 4 LEU C C 4 175.677 175.677 176.101 -0.424 19699 5517 1 9 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.788 -0.738 19699 5518 1 9 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.836 -0.229 19699 5519 1 9 . 1 1 4 4 LEU H H 4 8.332 8.332 8.637 -0.305 19699 5520 1 9 . 1 1 5 5 GLY N N 5 108.289 108.289 106.478 1.811 19699 5521 1 9 . 1 1 5 5 GLY C C 5 171.743 171.743 172.127 -0.384 19699 5522 1 9 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.094 -0.444 19699 5523 1 9 . 1 1 5 5 GLY H H 5 7.737 7.737 7.499 0.238 19699 5524 1 9 . 1 1 6 6 CYS N N 6 112.366 112.366 120.109 -7.743 19699 5525 1 9 . 1 1 6 6 CYS C C 6 172.715 172.715 174.176 -1.461 19699 5526 1 9 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.737 -3.014 19699 5527 1 9 . 1 1 6 6 CYS CB C 6 48.588 48.588 29.695 18.893 19699 5528 1 9 . 1 1 6 6 CYS H H 6 7.688 7.688 8.050 -0.362 19699 5529 1 9 . 1 1 7 7 TYR N N 7 122.399 122.399 120.145 2.254 19699 5530 1 9 . 1 1 7 7 TYR C C 7 174.024 174.024 174.398 -0.374 19699 5531 1 9 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.069 0.584 19699 5532 1 9 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.632 -2.110 19699 5533 1 9 . 1 1 7 7 TYR H H 7 8.733 8.733 9.129 -0.396 19699 5534 1 9 . 1 1 8 8 PHE N N 8 123.806 123.806 122.166 1.640 19699 5535 1 9 . 1 1 8 8 PHE C C 8 175.708 175.708 175.637 0.071 19699 5536 1 9 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.842 -0.134 19699 5537 1 9 . 1 1 8 8 PHE CB C 8 39.575 39.575 40.870 -1.295 19699 5538 1 9 . 1 1 8 8 PHE H H 8 9.088 9.088 9.002 0.086 19699 5539 1 9 . 1 1 9 9 LYS N N 9 121.663 121.663 123.661 -1.998 19699 5540 1 9 . 1 1 9 9 LYS C C 9 176.024 176.024 175.467 0.557 19699 5541 1 9 . 1 1 9 9 LYS CA C 9 51.389 51.389 54.013 -2.624 19699 5542 1 9 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.806 0.755 19699 5543 1 9 . 1 1 9 9 LYS H H 9 9.284 9.284 9.191 0.093 19699 5544 1 9 . 1 1 10 10 GLY N N 10 109.739 109.739 108.341 1.398 19699 5545 1 9 . 1 1 10 10 GLY C C 10 172.722 172.722 173.471 -0.749 19699 5546 1 9 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.964 0.238 19699 5547 1 9 . 1 1 10 10 GLY H H 10 8.755 8.755 8.656 0.099 19699 5548 1 9 . 1 1 11 11 ILE N N 11 122.761 122.761 123.779 -1.018 19699 5549 1 9 . 1 1 11 11 ILE C C 11 174.106 174.106 174.718 -0.612 19699 5550 1 9 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.221 -0.109 19699 5551 1 9 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.936 0.809 19699 5552 1 9 . 1 1 11 11 ILE H H 11 8.212 8.212 8.472 -0.260 19699 5553 1 9 . 1 1 12 12 ASN N N 12 127.675 127.675 125.927 1.748 19699 5554 1 9 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.053 -0.314 19699 5555 1 9 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.699 -1.114 19699 5556 1 9 . 1 1 12 12 ASN H H 12 9.050 9.050 8.785 0.265 19699 5557 1 9 . 1 1 13 13 PRO C C 13 176.450 176.450 176.226 0.224 19699 5558 1 9 . 1 1 14 14 THR N N 14 115.695 115.695 111.966 3.729 19699 5559 1 9 . 1 1 14 14 THR C C 14 173.172 173.172 173.312 -0.140 19699 5560 1 9 . 1 1 14 14 THR CA C 14 59.908 59.908 59.853 0.055 19699 5561 1 9 . 1 1 14 14 THR CB C 14 70.727 70.727 71.403 -0.677 19699 5562 1 9 . 1 1 14 14 THR H H 14 9.320 9.320 8.604 0.716 19699 5563 1 9 . 1 1 15 15 LYS N N 15 123.952 123.952 123.926 0.026 19699 5564 1 9 . 1 1 15 15 LYS C C 15 177.147 177.147 176.268 0.879 19699 5565 1 9 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.639 0.047 19699 5566 1 9 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.152 -1.188 19699 5567 1 9 . 1 1 15 15 LYS H H 15 8.534 8.534 8.494 0.040 19699 5568 1 9 . 1 1 16 16 VAL N N 16 129.976 129.976 128.569 1.407 19699 5569 1 9 . 1 1 16 16 VAL CA C 16 58.944 58.944 59.556 -0.612 19699 5570 1 9 . 1 1 16 16 VAL CB C 16 32.014 32.014 32.404 -0.390 19699 5571 1 9 . 1 1 16 16 VAL H H 16 8.836 8.836 8.574 0.262 19699 5572 1 9 . 1 1 17 17 PRO C C 17 176.397 176.397 175.563 0.834 19699 5573 1 9 . 1 1 18 18 SER N N 18 117.885 117.885 117.826 0.059 19699 5574 1 9 . 1 1 18 18 SER C C 18 174.516 174.516 174.228 0.288 19699 5575 1 9 . 1 1 18 18 SER CA C 18 56.695 56.695 57.350 -0.655 19699 5576 1 9 . 1 1 18 18 SER CB C 18 64.232 64.232 64.804 -0.572 19699 5577 1 9 . 1 1 18 18 SER H H 18 8.303 8.303 7.809 0.494 19699 5578 1 9 . 1 1 19 19 SER N N 19 120.346 120.346 117.868 2.478 19699 5579 1 9 . 1 1 19 19 SER C C 19 173.829 173.829 174.682 -0.853 19699 5580 1 9 . 1 1 19 19 SER CA C 19 58.080 58.080 58.907 -0.827 19699 5581 1 9 . 1 1 19 19 SER CB C 19 62.659 62.659 63.497 -0.838 19699 5582 1 9 . 1 1 19 19 SER H H 19 8.679 8.679 8.380 0.299 19699 5583 1 9 . 1 1 20 20 ASP N N 20 126.377 126.377 125.033 1.344 19699 5584 1 9 . 1 1 20 20 ASP CA C 20 52.384 52.384 53.118 -0.734 19699 5585 1 9 . 1 1 20 20 ASP CB C 20 41.535 41.535 42.223 -0.688 19699 5586 1 9 . 1 1 20 20 ASP H H 20 8.247 8.247 7.585 0.662 19699 5587 1 9 . 1 1 21 21 PRO C C 21 177.616 177.616 176.770 0.846 19699 5588 1 9 . 1 1 22 22 ARG N N 22 119.127 119.127 117.062 2.065 19699 5589 1 9 . 1 1 22 22 ARG C C 22 175.307 175.307 176.246 -0.939 19699 5590 1 9 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.955 -0.541 19699 5591 1 9 . 1 1 22 22 ARG CB C 22 28.805 28.805 30.835 -2.030 19699 5592 1 9 . 1 1 22 22 ARG H H 22 8.692 8.692 8.284 0.408 19699 5593 1 9 . 1 1 23 23 THR N N 23 120.270 120.270 118.841 1.429 19699 5594 1 9 . 1 1 23 23 THR C C 23 172.509 172.509 173.955 -1.446 19699 5595 1 9 . 1 1 23 23 THR CA C 23 63.089 63.089 63.171 -0.082 19699 5596 1 9 . 1 1 23 23 THR CB C 23 69.254 69.254 69.508 -0.254 19699 5597 1 9 . 1 1 23 23 THR H H 23 8.265 8.265 8.102 0.163 19699 5598 1 9 . 1 1 24 24 VAL N N 24 129.461 129.461 128.197 1.264 19699 5599 1 9 . 1 1 24 24 VAL C C 24 174.663 174.663 174.664 -0.001 19699 5600 1 9 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.265 -0.281 19699 5601 1 9 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.574 -0.970 19699 5602 1 9 . 1 1 24 24 VAL H H 24 8.992 8.992 8.658 0.334 19699 5603 1 9 . 1 1 25 25 LEU N N 25 126.449 126.449 128.997 -2.548 19699 5604 1 9 . 1 1 25 25 LEU C C 25 174.669 174.669 175.634 -0.965 19699 5605 1 9 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.334 -1.087 19699 5606 1 9 . 1 1 25 25 LEU CB C 25 44.162 44.162 43.451 0.711 19699 5607 1 9 . 1 1 25 25 LEU H H 25 9.281 9.281 8.673 0.608 19699 5608 1 9 . 1 1 26 26 LYS N N 26 120.574 120.574 123.942 -3.368 19699 5609 1 9 . 1 1 26 26 LYS C C 26 175.637 175.637 174.769 0.868 19699 5610 1 9 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.543 -1.878 19699 5611 1 9 . 1 1 26 26 LYS CB C 26 36.820 36.820 36.404 0.416 19699 5612 1 9 . 1 1 26 26 LYS H H 26 8.832 8.832 8.691 0.141 19699 5613 1 9 . 1 1 27 27 CYS N N 27 126.079 126.079 122.832 3.247 19699 5614 1 9 . 1 1 27 27 CYS C C 27 172.527 172.527 174.888 -2.361 19699 5615 1 9 . 1 1 27 27 CYS CA C 27 52.428 52.428 59.176 -6.748 19699 5616 1 9 . 1 1 27 27 CYS CB C 27 44.628 44.628 29.547 15.081 19699 5617 1 9 . 1 1 27 27 CYS H H 27 8.709 8.709 8.875 -0.166 19699 5618 1 9 . 1 1 28 28 THR N N 28 122.887 122.887 119.452 3.435 19699 5619 1 9 . 1 1 28 28 THR C C 28 172.844 172.844 173.739 -0.895 19699 5620 1 9 . 1 1 28 28 THR CA C 28 64.228 64.228 62.236 1.992 19699 5621 1 9 . 1 1 28 28 THR CB C 28 68.222 68.222 69.273 -1.051 19699 5622 1 9 . 1 1 28 28 THR H H 28 8.086 8.086 8.246 -0.160 19699 5623 1 9 . 1 1 29 29 LEU N N 29 127.761 127.761 129.120 -1.359 19699 5624 1 9 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.232 -0.871 19699 5625 1 9 . 1 1 29 29 LEU CB C 29 39.791 39.791 43.230 -3.438 19699 5626 1 9 . 1 1 29 29 LEU H H 29 8.452 8.452 8.183 0.269 19699 5627 1 9 . 1 1 30 30 PRO C C 30 174.451 174.451 175.965 -1.514 19699 5628 1 9 . 1 1 31 31 ASP N N 31 120.693 120.693 124.027 -3.334 19699 5629 1 9 . 1 1 31 31 ASP C C 31 175.442 175.442 175.248 0.194 19699 5630 1 9 . 1 1 31 31 ASP CA C 31 52.922 52.922 54.189 -1.267 19699 5631 1 9 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.549 -1.304 19699 5632 1 9 . 1 1 31 31 ASP H H 31 8.380 8.380 8.554 -0.174 19699 5633 1 9 . 1 1 32 32 VAL N N 32 127.962 127.962 121.695 6.267 19699 5634 1 9 . 1 1 32 32 VAL C C 32 173.841 173.841 175.787 -1.946 19699 5635 1 9 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.883 -0.916 19699 5636 1 9 . 1 1 32 32 VAL CB C 32 33.402 33.402 32.919 0.483 19699 5637 1 9 . 1 1 32 32 VAL H H 32 7.195 7.195 7.825 -0.630 19699 5638 1 9 . 1 1 33 33 LYS N N 33 127.967 127.967 129.879 -1.912 19699 5639 1 9 . 1 1 33 33 LYS C C 33 176.805 176.805 175.854 0.951 19699 5640 1 9 . 1 1 33 33 LYS CA C 33 54.758 54.758 56.000 -1.242 19699 5641 1 9 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.096 -1.023 19699 5642 1 9 . 1 1 33 33 LYS H H 33 8.375 8.375 8.808 -0.433 19699 5643 1 9 . 1 1 34 34 VAL N N 34 110.772 110.772 116.474 -5.702 19699 5644 1 9 . 1 1 34 34 VAL C C 34 174.766 174.766 173.865 0.901 19699 5645 1 9 . 1 1 34 34 VAL CA C 34 56.939 56.939 58.938 -1.999 19699 5646 1 9 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.846 -1.171 19699 5647 1 9 . 1 1 34 34 VAL H H 34 6.445 6.445 7.936 -1.491 19699 5648 1 9 . 1 1 35 35 ASN N N 35 123.757 123.757 120.503 3.254 19699 5649 1 9 . 1 1 35 35 ASN C C 35 173.218 173.218 173.638 -0.420 19699 5650 1 9 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.202 0.434 19699 5651 1 9 . 1 1 35 35 ASN CB C 35 36.128 36.128 35.763 0.365 19699 5652 1 9 . 1 1 35 35 ASN H H 35 8.723 8.723 8.471 0.252 19699 5653 1 9 . 1 1 36 36 ALA N N 36 124.355 124.355 124.926 -0.571 19699 5654 1 9 . 1 1 36 36 ALA C C 36 175.731 175.731 174.985 0.746 19699 5655 1 9 . 1 1 36 36 ALA H H 36 7.176 7.176 7.963 -0.787 19699 5656 1 9 . 1 1 37 37 SER N N 37 116.842 116.842 114.420 2.422 19699 5657 1 9 . 1 1 37 37 SER C C 37 173.137 173.137 173.228 -0.091 19699 5658 1 9 . 1 1 37 37 SER CA C 37 56.592 56.592 56.463 0.129 19699 5659 1 9 . 1 1 37 37 SER CB C 37 65.760 65.760 66.479 -0.719 19699 5660 1 9 . 1 1 37 37 SER H H 37 8.185 8.185 7.981 0.204 19699 5661 1 9 . 1 1 38 38 TRP N N 38 123.519 123.519 120.503 3.016 19699 5662 1 9 . 1 1 38 38 TRP C C 38 174.100 174.100 176.375 -2.275 19699 5663 1 9 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.797 -0.963 19699 5664 1 9 . 1 1 38 38 TRP CB C 38 28.594 28.594 34.157 -5.562 19699 5665 1 9 . 1 1 38 38 TRP H H 38 8.895 8.895 9.299 -0.404 19699 5666 1 9 . 1 1 39 39 THR N N 39 120.476 120.476 119.146 1.330 19699 5667 1 9 . 1 1 39 39 THR C C 39 174.400 174.400 173.034 1.366 19699 5668 1 9 . 1 1 39 39 THR CA C 39 61.580 61.580 61.840 -0.260 19699 5669 1 9 . 1 1 39 39 THR CB C 39 70.182 70.182 70.392 -0.210 19699 5670 1 9 . 1 1 39 39 THR H H 39 9.073 9.073 9.105 -0.032 19699 5671 1 9 . 1 1 40 40 LEU N N 40 129.561 129.561 129.421 0.140 19699 5672 1 9 . 1 1 40 40 LEU C C 40 173.008 173.008 174.493 -1.485 19699 5673 1 9 . 1 1 40 40 LEU H H 40 10.036 10.036 9.031 1.005 19699 5674 1 9 . 1 1 41 41 GLU N N 41 126.217 126.217 127.534 -1.317 19699 5675 1 9 . 1 1 41 41 GLU C C 41 174.208 174.208 175.220 -1.012 19699 5676 1 9 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.325 -1.175 19699 5677 1 9 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.135 -2.043 19699 5678 1 9 . 1 1 41 41 GLU H H 41 8.504 8.504 8.724 -0.220 19699 5679 1 9 . 1 1 42 42 TRP N N 42 131.942 131.942 128.201 3.741 19699 5680 1 9 . 1 1 42 42 TRP C C 42 174.332 174.332 175.883 -1.551 19699 5681 1 9 . 1 1 42 42 TRP CA C 42 55.084 55.084 57.221 -2.138 19699 5682 1 9 . 1 1 42 42 TRP CB C 42 27.913 27.913 29.584 -1.671 19699 5683 1 9 . 1 1 42 42 TRP H H 42 9.446 9.446 9.020 0.426 19699 5684 1 9 . 1 1 43 43 VAL N N 43 127.871 127.871 124.078 3.793 19699 5685 1 9 . 1 1 43 43 VAL C C 43 175.693 175.693 175.015 0.678 19699 5686 1 9 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.186 1.033 19699 5687 1 9 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.411 -2.957 19699 5688 1 9 . 1 1 43 43 VAL H H 43 9.065 9.065 9.340 -0.275 19699 5689 1 9 . 1 1 44 44 VAL N N 44 129.882 129.882 126.340 3.542 19699 5690 1 9 . 1 1 44 44 VAL C C 44 176.740 176.740 176.362 0.378 19699 5691 1 9 . 1 1 44 44 VAL CA C 44 61.175 61.175 60.982 0.193 19699 5692 1 9 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.202 -3.717 19699 5693 1 9 . 1 1 44 44 VAL H H 44 8.895 8.895 9.029 -0.134 19699 5694 1 9 . 1 1 45 45 VAL N N 45 125.719 125.719 129.308 -3.589 19699 5695 1 9 . 1 1 45 45 VAL C C 45 179.320 179.320 176.672 2.648 19699 5696 1 9 . 1 1 45 45 VAL CA C 45 66.862 66.862 66.022 0.840 19699 5697 1 9 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.110 -0.905 19699 5698 1 9 . 1 1 45 45 VAL H H 45 7.462 7.462 8.346 -0.884 19699 5699 1 9 . 1 1 46 46 ASN N N 46 114.964 114.964 116.237 -1.273 19699 5700 1 9 . 1 1 46 46 ASN C C 46 175.545 175.545 176.084 -0.539 19699 5701 1 9 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.210 -0.400 19699 5702 1 9 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.509 -2.432 19699 5703 1 9 . 1 1 46 46 ASN H H 46 8.550 8.550 7.680 0.870 19699 5704 1 9 . 1 1 47 47 LEU N N 47 117.360 117.360 116.912 0.448 19699 5705 1 9 . 1 1 47 47 LEU C C 47 175.920 175.920 176.813 -0.893 19699 5706 1 9 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.910 -1.644 19699 5707 1 9 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.280 -0.635 19699 5708 1 9 . 1 1 47 47 LEU H H 47 7.023 7.023 7.706 -0.683 19699 5709 1 9 . 1 1 48 48 HIS N N 48 116.042 116.042 114.207 1.835 19699 5710 1 9 . 1 1 48 48 HIS C C 48 172.021 172.021 174.244 -2.223 19699 5711 1 9 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.328 -1.734 19699 5712 1 9 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.663 -0.433 19699 5713 1 9 . 1 1 48 48 HIS H H 48 7.581 7.581 7.630 -0.049 19699 5714 1 9 . 1 1 49 49 THR N N 49 107.923 107.923 111.846 -3.923 19699 5715 1 9 . 1 1 49 49 THR C C 49 171.828 171.828 172.225 -0.397 19699 5716 1 9 . 1 1 49 49 THR CA C 49 58.493 58.493 61.105 -2.612 19699 5717 1 9 . 1 1 49 49 THR CB C 49 68.152 68.152 70.662 -2.510 19699 5718 1 9 . 1 1 49 49 THR H H 49 7.011 7.011 7.854 -0.843 19699 5719 1 9 . 1 1 50 50 SER N N 50 114.393 114.393 115.085 -0.692 19699 5720 1 9 . 1 1 50 50 SER C C 50 172.904 172.904 173.015 -0.111 19699 5721 1 9 . 1 1 50 50 SER CA C 50 55.318 55.318 56.863 -1.545 19699 5722 1 9 . 1 1 50 50 SER CB C 50 66.748 66.748 66.356 0.392 19699 5723 1 9 . 1 1 50 50 SER H H 50 8.066 8.066 8.302 -0.236 19699 5724 1 9 . 1 1 51 51 VAL N N 51 123.100 123.100 119.905 3.195 19699 5725 1 9 . 1 1 51 51 VAL C C 51 176.585 176.585 175.612 0.973 19699 5726 1 9 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.428 0.786 19699 5727 1 9 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.819 -1.468 19699 5728 1 9 . 1 1 51 51 VAL H H 51 8.667 8.667 8.697 -0.030 19699 5729 1 9 . 1 1 52 52 ASP N N 52 129.313 129.313 127.793 1.520 19699 5730 1 9 . 1 1 52 52 ASP C C 52 173.916 173.916 174.685 -0.769 19699 5731 1 9 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.315 2.427 19699 5732 1 9 . 1 1 52 52 ASP CB C 52 39.928 39.928 38.961 0.967 19699 5733 1 9 . 1 1 52 52 ASP H H 52 9.402 9.402 8.469 0.933 19699 5734 1 9 . 1 1 53 53 VAL N N 53 118.437 118.437 122.208 -3.771 19699 5735 1 9 . 1 1 53 53 VAL C C 53 175.402 175.402 173.306 2.096 19699 5736 1 9 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.571 -1.803 19699 5737 1 9 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.706 0.140 19699 5738 1 9 . 1 1 53 53 VAL H H 53 7.080 7.080 8.367 -1.287 19699 5739 1 9 . 1 1 54 54 THR N N 54 115.972 115.972 118.154 -2.182 19699 5740 1 9 . 1 1 54 54 THR C C 54 174.081 174.081 173.235 0.846 19699 5741 1 9 . 1 1 54 54 THR CA C 54 58.682 58.682 59.801 -1.119 19699 5742 1 9 . 1 1 54 54 THR CB C 54 70.590 70.590 71.628 -1.038 19699 5743 1 9 . 1 1 54 54 THR H H 54 9.682 9.682 8.800 0.882 19699 5744 1 9 . 1 1 55 55 SER N N 55 117.493 117.493 119.269 -1.776 19699 5745 1 9 . 1 1 55 55 SER C C 55 172.532 172.532 173.144 -0.612 19699 5746 1 9 . 1 1 55 55 SER CA C 55 58.440 58.440 56.746 1.694 19699 5747 1 9 . 1 1 55 55 SER CB C 55 64.406 64.406 64.487 -0.081 19699 5748 1 9 . 1 1 55 55 SER H H 55 9.115 9.115 8.526 0.589 19699 5749 1 9 . 1 1 56 56 TYR N N 56 127.570 127.570 126.729 0.841 19699 5750 1 9 . 1 1 56 56 TYR C C 56 173.235 173.235 175.432 -2.197 19699 5751 1 9 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.185 2.106 19699 5752 1 9 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.508 0.126 19699 5753 1 9 . 1 1 56 56 TYR H H 56 8.706 8.706 9.203 -0.497 19699 5754 1 9 . 1 1 57 57 TYR N N 57 126.921 126.921 120.105 6.816 19699 5755 1 9 . 1 1 57 57 TYR C C 57 175.189 175.189 174.911 0.278 19699 5756 1 9 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.274 -1.864 19699 5757 1 9 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.999 -2.456 19699 5758 1 9 . 1 1 57 57 TYR H H 57 9.160 9.160 9.480 -0.320 19699 5759 1 9 . 1 1 58 58 GLU N N 58 114.689 114.689 121.522 -6.833 19699 5760 1 9 . 1 1 58 58 GLU C C 58 176.098 176.098 175.297 0.801 19699 5761 1 9 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.186 0.135 19699 5762 1 9 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.139 -0.142 19699 5763 1 9 . 1 1 58 58 GLU H H 58 7.814 7.814 8.960 -1.146 19699 5764 1 9 . 1 1 59 59 SER N N 59 118.144 118.144 122.226 -4.082 19699 5765 1 9 . 1 1 59 59 SER C C 59 172.474 172.474 173.702 -1.228 19699 5766 1 9 . 1 1 59 59 SER CA C 59 56.261 56.261 56.734 -0.473 19699 5767 1 9 . 1 1 59 59 SER CB C 59 67.299 67.299 66.951 0.348 19699 5768 1 9 . 1 1 59 59 SER H H 59 9.059 9.059 8.635 0.424 19699 5769 1 9 . 1 1 60 60 SER N N 60 120.314 120.314 112.548 7.766 19699 5770 1 9 . 1 1 60 60 SER CA C 60 56.956 56.956 55.969 0.987 19699 5771 1 9 . 1 1 60 60 SER CB C 60 65.027 65.027 64.118 0.909 19699 5772 1 9 . 1 1 60 60 SER H H 60 9.489 9.489 8.665 0.824 19699 5773 1 9 . 1 1 61 61 PRO C C 61 175.753 175.753 176.854 -1.101 19699 5774 1 9 . 1 1 62 62 ASN N N 62 110.807 110.807 112.574 -1.767 19699 5775 1 9 . 1 1 62 62 ASN C C 62 174.630 174.630 174.805 -0.175 19699 5776 1 9 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.276 -1.866 19699 5777 1 9 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.555 -0.599 19699 5778 1 9 . 1 1 62 62 ASN H H 62 7.693 7.693 7.967 -0.274 19699 5779 1 9 . 1 1 63 63 SER N N 63 115.903 115.903 116.147 -0.244 19699 5780 1 9 . 1 1 63 63 SER C C 63 171.926 171.926 173.573 -1.647 19699 5781 1 9 . 1 1 63 63 SER CA C 63 57.927 57.927 56.889 1.038 19699 5782 1 9 . 1 1 63 63 SER CB C 63 64.472 64.472 64.682 -0.210 19699 5783 1 9 . 1 1 63 63 SER H H 63 7.636 7.636 8.198 -0.562 19699 5784 1 9 . 1 1 64 64 GLU N N 64 128.229 128.229 126.570 1.659 19699 5785 1 9 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.385 0.942 19699 5786 1 9 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.685 -4.249 19699 5787 1 9 . 1 1 64 64 GLU H H 64 9.432 9.432 8.731 0.701 19699 5788 1 9 . 1 1 65 65 PRO C C 65 175.912 175.912 176.289 -0.377 19699 5789 1 9 . 1 1 66 66 ARG N N 66 125.093 125.093 123.348 1.745 19699 5790 1 9 . 1 1 66 66 ARG C C 66 175.221 175.221 175.495 -0.274 19699 5791 1 9 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.235 0.518 19699 5792 1 9 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.263 -2.091 19699 5793 1 9 . 1 1 66 66 ARG H H 66 8.054 8.054 8.622 -0.568 19699 5794 1 9 . 1 1 67 67 PHE N N 67 126.028 126.028 123.496 2.532 19699 5795 1 9 . 1 1 67 67 PHE C C 67 174.478 174.478 175.404 -0.926 19699 5796 1 9 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.087 -0.191 19699 5797 1 9 . 1 1 67 67 PHE CB C 67 38.054 38.054 39.158 -1.104 19699 5798 1 9 . 1 1 67 67 PHE H H 67 9.078 9.078 8.904 0.174 19699 5799 1 9 . 1 1 68 68 LEU N N 68 127.080 127.080 129.281 -2.201 19699 5800 1 9 . 1 1 68 68 LEU C C 68 175.994 175.994 175.572 0.422 19699 5801 1 9 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.652 -0.780 19699 5802 1 9 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.276 1.499 19699 5803 1 9 . 1 1 68 68 LEU H H 68 8.477 8.477 8.796 -0.319 19699 5804 1 9 . 1 1 69 69 ARG N N 69 111.037 111.037 111.447 -0.410 19699 5805 1 9 . 1 1 69 69 ARG C C 69 172.738 172.738 173.357 -0.619 19699 5806 1 9 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.525 0.401 19699 5807 1 9 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.083 -2.354 19699 5808 1 9 . 1 1 69 69 ARG H H 69 6.560 6.560 6.948 -0.388 19699 5809 1 9 . 1 1 70 70 ALA N N 70 124.959 124.959 123.109 1.850 19699 5810 1 9 . 1 1 70 70 ALA C C 70 177.538 177.538 176.164 1.374 19699 5811 1 9 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.824 -0.669 19699 5812 1 9 . 1 1 70 70 ALA CB C 70 18.600 18.600 22.045 -3.445 19699 5813 1 9 . 1 1 70 70 ALA H H 70 8.749 8.749 8.441 0.308 19699 5814 1 9 . 1 1 71 71 ILE N N 71 120.318 120.318 123.180 -2.862 19699 5815 1 9 . 1 1 71 71 ILE C C 71 174.971 174.971 175.250 -0.279 19699 5816 1 9 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.928 -0.747 19699 5817 1 9 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.102 -1.602 19699 5818 1 9 . 1 1 71 71 ILE H H 71 8.532 8.532 8.870 -0.338 19699 5819 1 9 . 1 1 72 72 LEU N N 72 124.858 124.858 126.383 -1.525 19699 5820 1 9 . 1 1 72 72 LEU C C 72 176.383 176.383 176.870 -0.487 19699 5821 1 9 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.238 0.908 19699 5822 1 9 . 1 1 72 72 LEU CB C 72 40.535 40.535 41.925 -1.389 19699 5823 1 9 . 1 1 72 72 LEU H H 72 8.370 8.370 8.660 -0.290 19699 5824 1 9 . 1 1 73 73 ASN N N 73 118.206 118.206 120.931 -2.725 19699 5825 1 9 . 1 1 73 73 ASN C C 73 174.181 174.181 174.763 -0.582 19699 5826 1 9 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.253 -1.564 19699 5827 1 9 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.171 -1.061 19699 5828 1 9 . 1 1 73 73 ASN H H 73 8.220 8.220 8.485 -0.265 19699 5829 1 9 . 1 1 74 74 PHE N N 74 123.331 123.331 122.870 0.461 19699 5830 1 9 . 1 1 74 74 PHE C C 74 176.458 176.458 176.090 0.368 19699 5831 1 9 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.680 -0.286 19699 5832 1 9 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.725 -0.177 19699 5833 1 9 . 1 1 74 74 PHE H H 74 7.606 7.606 7.799 -0.193 19699 5834 1 9 . 1 1 75 75 THR N N 75 109.350 109.350 113.555 -4.205 19699 5835 1 9 . 1 1 75 75 THR H H 75 7.826 7.826 8.040 -0.214 19699 5836 1 9 . 1 1 76 76 PRO C C 76 176.832 176.832 176.326 0.506 19699 5837 1 9 . 1 1 77 77 MET N N 77 122.265 122.265 116.880 5.385 19699 5838 1 9 . 1 1 77 77 MET C C 77 176.515 176.515 175.436 1.079 19699 5839 1 9 . 1 1 77 77 MET CA C 77 55.525 55.525 55.010 0.515 19699 5840 1 9 . 1 1 77 77 MET CB C 77 30.039 30.039 32.022 -1.983 19699 5841 1 9 . 1 1 77 77 MET H H 77 8.404 8.404 8.396 0.008 19699 5842 1 9 . 1 1 78 78 HIS N N 78 123.575 123.575 119.023 4.552 19699 5843 1 9 . 1 1 78 78 HIS C C 78 175.951 175.951 175.601 0.350 19699 5844 1 9 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.674 -0.100 19699 5845 1 9 . 1 1 78 78 HIS CB C 78 29.895 29.895 29.516 0.379 19699 5846 1 9 . 1 1 78 78 HIS H H 78 8.469 8.469 7.913 0.556 19699 5847 1 9 . 1 1 80 80 LEU C C 80 177.711 177.711 176.645 1.066 19699 5848 1 9 . 1 1 81 81 ARG N N 81 119.707 119.707 124.110 -4.403 19699 5849 1 9 . 1 1 81 81 ARG C C 81 177.060 177.060 176.313 0.747 19699 5850 1 9 . 1 1 81 81 ARG H H 81 8.368 8.368 8.616 -0.248 19699 5851 1 9 . 1 1 82 82 THR N N 82 114.163 114.163 114.646 -0.483 19699 5852 1 9 . 1 1 82 82 THR C C 82 174.712 174.712 173.268 1.444 19699 5853 1 9 . 1 1 82 82 THR CA C 82 62.533 62.533 63.288 -0.755 19699 5854 1 9 . 1 1 82 82 THR H H 82 7.936 7.936 8.391 -0.455 19699 5855 1 9 . 1 1 83 83 LYS N N 83 121.875 121.875 121.515 0.360 19699 5856 1 9 . 1 1 83 83 LYS C C 83 175.855 175.855 175.755 0.100 19699 5857 1 9 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.072 0.628 19699 5858 1 9 . 1 1 83 83 LYS CB C 83 32.322 32.322 35.095 -2.773 19699 5859 1 9 . 1 1 83 83 LYS H H 83 8.092 8.092 7.998 0.094 19699 5860 1 9 . 1 1 84 84 ASN N N 84 118.272 118.272 121.752 -3.480 19699 5861 1 9 . 1 1 84 84 ASN C C 84 176.216 176.216 175.064 1.152 19699 5862 1 9 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.853 -0.251 19699 5863 1 9 . 1 1 84 84 ASN CB C 84 38.706 38.706 37.734 0.972 19699 5864 1 9 . 1 1 84 84 ASN H H 84 8.163 8.163 8.726 -0.563 19699 5865 1 9 . 1 1 85 85 LEU N N 85 123.394 123.394 124.097 -0.703 19699 5866 1 9 . 1 1 85 85 LEU C C 85 176.987 176.987 176.987 0.000 19699 5867 1 9 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.739 -0.473 19699 5868 1 9 . 1 1 85 85 LEU CB C 85 40.497 40.497 42.867 -2.370 19699 5869 1 9 . 1 1 85 85 LEU H H 85 8.382 8.382 7.891 0.491 19699 5870 1 9 . 1 1 86 86 LEU N N 86 122.330 122.330 122.394 -0.064 19699 5871 1 9 . 1 1 86 86 LEU C C 86 175.867 175.867 176.634 -0.767 19699 5872 1 9 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.791 -0.176 19699 5873 1 9 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.253 0.235 19699 5874 1 9 . 1 1 86 86 LEU H H 86 8.350 8.350 8.648 -0.298 19699 5875 1 9 . 1 1 87 87 LYS N N 87 121.964 121.964 122.122 -0.158 19699 5876 1 9 . 1 1 87 87 LYS C C 87 179.215 179.215 177.578 1.637 19699 5877 1 9 . 1 1 87 87 LYS CA C 87 54.413 54.413 53.896 0.517 19699 5878 1 9 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.567 1.352 19699 5879 1 9 . 1 1 87 87 LYS H H 87 9.560 9.560 8.915 0.645 19699 5880 1 9 . 1 1 88 88 VAL N N 88 124.714 124.714 121.143 3.571 19699 5881 1 9 . 1 1 88 88 VAL C C 88 181.289 181.289 177.894 3.395 19699 5882 1 9 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.276 0.455 19699 5883 1 9 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.837 -1.741 19699 5884 1 9 . 1 1 88 88 VAL H H 88 8.331 8.331 8.718 -0.387 19699 5885 1 9 . 1 1 89 89 LYS N N 89 119.721 119.721 116.717 3.004 19699 5886 1 9 . 1 1 89 89 LYS C C 89 176.988 176.988 176.267 0.721 19699 5887 1 9 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.648 -3.915 19699 5888 1 9 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.207 -0.770 19699 5889 1 9 . 1 1 89 89 LYS H H 89 8.356 8.356 8.229 0.127 19699 5890 1 9 . 1 1 90 90 ASP N N 90 117.057 117.057 117.837 -0.780 19699 5891 1 9 . 1 1 90 90 ASP C C 90 174.938 174.938 175.981 -1.043 19699 5892 1 9 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.521 0.201 19699 5893 1 9 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.858 0.726 19699 5894 1 9 . 1 1 90 90 ASP H H 90 7.613 7.613 7.722 -0.109 19699 5895 1 9 . 1 1 91 91 GLY N N 91 104.457 104.457 105.851 -1.394 19699 5896 1 9 . 1 1 91 91 GLY C C 91 172.136 172.136 173.481 -1.345 19699 5897 1 9 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.058 -0.580 19699 5898 1 9 . 1 1 91 91 GLY H H 91 8.078 8.078 8.027 0.051 19699 5899 1 9 . 1 1 92 92 PHE N N 92 117.903 117.903 120.031 -2.128 19699 5900 1 9 . 1 1 92 92 PHE C C 92 173.925 173.925 174.349 -0.424 19699 5901 1 9 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.648 0.125 19699 5902 1 9 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.632 1.951 19699 5903 1 9 . 1 1 92 92 PHE H H 92 7.038 7.038 7.609 -0.571 19699 5904 1 9 . 1 1 93 93 GLN N N 93 123.497 123.497 124.124 -0.627 19699 5905 1 9 . 1 1 93 93 GLN C C 93 173.550 173.550 173.660 -0.110 19699 5906 1 9 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.302 -0.551 19699 5907 1 9 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.675 1.218 19699 5908 1 9 . 1 1 93 93 GLN H H 93 8.716 8.716 8.740 -0.024 19699 5909 1 9 . 1 1 94 94 VAL N N 94 130.740 130.740 128.574 2.166 19699 5910 1 9 . 1 1 94 94 VAL C C 94 176.502 176.502 175.120 1.382 19699 5911 1 9 . 1 1 94 94 VAL CA C 94 61.531 61.531 60.756 0.775 19699 5912 1 9 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.348 -1.201 19699 5913 1 9 . 1 1 94 94 VAL H H 94 9.180 9.180 8.667 0.513 19699 5914 1 9 . 1 1 95 95 ASP N N 95 128.925 128.925 127.674 1.251 19699 5915 1 9 . 1 1 95 95 ASP C C 95 175.655 175.655 176.140 -0.485 19699 5916 1 9 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.748 -0.446 19699 5917 1 9 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.667 -1.567 19699 5918 1 9 . 1 1 95 95 ASP H H 95 8.397 8.397 8.646 -0.249 19699 5919 1 9 . 1 1 96 96 ASN N N 96 126.934 126.934 124.374 2.560 19699 5920 1 9 . 1 1 96 96 ASN C C 96 176.193 176.193 175.042 1.151 19699 5921 1 9 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.271 -0.569 19699 5922 1 9 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.389 0.395 19699 5923 1 9 . 1 1 96 96 ASN H H 96 8.367 8.367 8.563 -0.196 19699 5924 1 9 . 1 1 97 97 SER N N 97 117.606 117.606 115.955 1.651 19699 5925 1 9 . 1 1 97 97 SER C C 97 176.522 176.522 174.826 1.696 19699 5926 1 9 . 1 1 97 97 SER CA C 97 58.237 58.237 57.286 0.951 19699 5927 1 9 . 1 1 97 97 SER CB C 97 63.473 63.473 64.646 -1.173 19699 5928 1 9 . 1 1 97 97 SER H H 97 8.645 8.645 8.653 -0.008 19699 5929 1 9 . 1 1 98 98 THR N N 98 115.391 115.391 118.002 -2.611 19699 5930 1 9 . 1 1 98 98 THR C C 98 175.591 175.591 175.274 0.317 19699 5931 1 9 . 1 1 98 98 THR CA C 98 61.477 61.477 62.608 -1.131 19699 5932 1 9 . 1 1 98 98 THR CB C 98 68.670 68.670 68.859 -0.189 19699 5933 1 9 . 1 1 98 98 THR H H 98 8.722 8.722 8.930 -0.208 19699 5934 1 9 . 1 1 99 99 ASP N N 99 120.196 120.196 121.362 -1.166 19699 5935 1 9 . 1 1 99 99 ASP C C 99 176.485 176.485 177.363 -0.878 19699 5936 1 9 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.592 -1.415 19699 5937 1 9 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.238 1.018 19699 5938 1 9 . 1 1 99 99 ASP H H 99 8.326 8.326 8.128 0.198 19699 5939 1 9 . 1 1 100 100 ASN N N 100 118.377 118.377 118.335 0.042 19699 5940 1 9 . 1 1 100 100 ASN C C 100 176.916 176.916 176.640 0.276 19699 5941 1 9 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.473 -1.705 19699 5942 1 9 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.039 -1.091 19699 5943 1 9 . 1 1 100 100 ASN H H 100 7.905 7.905 8.079 -0.174 19699 5944 1 9 . 1 1 101 101 GLY N N 101 110.470 110.470 105.057 5.413 19699 5945 1 9 . 1 1 101 101 GLY C C 101 173.824 173.824 174.458 -0.634 19699 5946 1 9 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.518 -0.060 19699 5947 1 9 . 1 1 101 101 GLY H H 101 8.450 8.450 8.731 -0.281 19699 5948 1 9 . 1 1 102 102 ASN N N 102 121.816 121.816 119.030 2.786 19699 5949 1 9 . 1 1 102 102 ASN C C 102 174.402 174.402 175.158 -0.756 19699 5950 1 9 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.427 -0.981 19699 5951 1 9 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.607 1.887 19699 5952 1 9 . 1 1 102 102 ASN H H 102 8.707 8.707 8.323 0.384 19699 5953 1 9 . 1 1 103 103 GLY N N 103 108.784 108.784 107.301 1.483 19699 5954 1 9 . 1 1 103 103 GLY C C 103 174.814 174.814 174.243 0.571 19699 5955 1 9 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.254 1.952 19699 5956 1 9 . 1 1 103 103 GLY H H 103 7.977 7.977 7.709 0.268 19699 5957 1 9 . 1 1 104 104 GLY N N 104 114.736 114.736 112.978 1.758 19699 5958 1 9 . 1 1 104 104 GLY C C 104 174.470 174.470 174.385 0.085 19699 5959 1 9 . 1 1 104 104 GLY CA C 104 45.274 45.274 45.099 0.175 19699 5960 1 9 . 1 1 104 104 GLY H H 104 8.589 8.589 8.578 0.011 19699 5961 1 9 . 1 1 105 105 ASN N N 105 120.001 120.001 120.359 -0.358 19699 5962 1 9 . 1 1 105 105 ASN C C 105 171.914 171.914 173.442 -1.528 19699 5963 1 9 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.300 -1.248 19699 5964 1 9 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.536 -2.957 19699 5965 1 9 . 1 1 105 105 ASN H H 105 7.561 7.561 7.540 0.021 19699 5966 1 9 . 1 1 106 106 LEU N N 106 122.396 122.396 123.040 -0.644 19699 5967 1 9 . 1 1 106 106 LEU C C 106 175.196 175.196 174.854 0.342 19699 5968 1 9 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.295 -0.339 19699 5969 1 9 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.017 -1.276 19699 5970 1 9 . 1 1 106 106 LEU H H 106 7.775 7.775 7.617 0.158 19699 5971 1 9 . 1 1 107 107 TYR N N 107 123.722 123.722 126.585 -2.863 19699 5972 1 9 . 1 1 107 107 TYR C C 107 175.955 175.955 175.776 0.179 19699 5973 1 9 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.164 -1.285 19699 5974 1 9 . 1 1 107 107 TYR CB C 107 39.562 39.562 38.930 0.632 19699 5975 1 9 . 1 1 107 107 TYR H H 107 9.210 9.210 9.218 -0.008 19699 5976 1 9 . 1 1 108 108 VAL N N 108 121.472 121.472 124.308 -2.836 19699 5977 1 9 . 1 1 108 108 VAL C C 108 177.065 177.065 175.347 1.718 19699 5978 1 9 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.796 -0.761 19699 5979 1 9 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.021 -0.980 19699 5980 1 9 . 1 1 108 108 VAL H H 108 8.991 8.991 8.712 0.279 19699 5981 1 9 . 1 1 109 109 TYR N N 109 129.064 129.064 127.915 1.149 19699 5982 1 9 . 1 1 109 109 TYR CA C 109 57.187 57.187 57.244 -0.057 19699 5983 1 9 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.381 -1.158 19699 5984 1 9 . 1 1 109 109 TYR H H 109 9.242 9.242 8.383 0.859 19699 5985 1 9 . 1 1 110 110 PRO C C 110 176.067 176.067 176.541 -0.474 19699 5986 1 9 . 1 1 111 111 ASN N N 111 112.749 112.749 115.952 -3.203 19699 5987 1 9 . 1 1 111 111 ASN C C 111 175.296 175.296 175.409 -0.113 19699 5988 1 9 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.570 -0.598 19699 5989 1 9 . 1 1 111 111 ASN CB C 111 36.505 36.505 37.999 -1.494 19699 5990 1 9 . 1 1 111 111 ASN H H 111 8.031 8.031 8.290 -0.259 19699 5991 1 9 . 1 1 112 112 ALA N N 112 124.990 124.990 122.888 2.102 19699 5992 1 9 . 1 1 112 112 ALA C C 112 178.295 178.295 177.129 1.166 19699 5993 1 9 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.950 0.261 19699 5994 1 9 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.739 -1.049 19699 5995 1 9 . 1 1 112 112 ALA H H 112 7.678 7.678 7.349 0.329 19699 5996 1 9 . 1 1 113 113 THR N N 113 116.898 116.898 116.070 0.828 19699 5997 1 9 . 1 1 113 113 THR C C 113 175.601 175.601 176.118 -0.517 19699 5998 1 9 . 1 1 113 113 THR CA C 113 63.391 63.391 63.132 0.259 19699 5999 1 9 . 1 1 113 113 THR CB C 113 69.220 69.220 69.707 -0.487 19699 6000 1 9 . 1 1 113 113 THR H H 113 8.530 8.530 8.070 0.459 19699 6001 1 9 . 1 1 114 114 THR N N 114 122.908 122.908 119.457 3.451 19699 6002 1 9 . 1 1 114 114 THR C C 114 175.178 175.178 176.739 -1.561 19699 6003 1 9 . 1 1 114 114 THR CA C 114 63.941 63.941 64.767 -0.826 19699 6004 1 9 . 1 1 114 114 THR CB C 114 68.628 68.628 68.566 0.062 19699 6005 1 9 . 1 1 114 114 THR H H 114 8.530 8.530 8.423 0.107 19699 6006 1 9 . 1 1 115 115 GLY N N 115 114.662 114.662 109.400 5.262 19699 6007 1 9 . 1 1 115 115 GLY C C 115 175.853 175.853 176.158 -0.305 19699 6008 1 9 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.446 -1.386 19699 6009 1 9 . 1 1 115 115 GLY H H 115 8.822 8.822 8.373 0.449 19699 6010 1 9 . 1 1 116 116 SER N N 116 118.029 118.029 117.981 0.048 19699 6011 1 9 . 1 1 116 116 SER C C 116 176.740 176.740 177.028 -0.288 19699 6012 1 9 . 1 1 116 116 SER CA C 116 61.370 61.370 60.684 0.686 19699 6013 1 9 . 1 1 116 116 SER CB C 116 62.652 62.652 63.372 -0.720 19699 6014 1 9 . 1 1 116 116 SER H H 116 8.138 8.138 8.003 0.135 19699 6015 1 9 . 1 1 117 117 ALA N N 117 124.981 124.981 124.641 0.340 19699 6016 1 9 . 1 1 117 117 ALA C C 117 178.629 178.629 179.749 -1.120 19699 6017 1 9 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.122 -0.392 19699 6018 1 9 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.148 -0.855 19699 6019 1 9 . 1 1 117 117 ALA H H 117 8.787 8.787 8.024 0.763 19699 6020 1 9 . 1 1 118 118 ASP N N 118 115.338 115.338 116.804 -1.466 19699 6021 1 9 . 1 1 118 118 ASP C C 118 176.339 176.339 177.231 -0.892 19699 6022 1 9 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.493 -1.246 19699 6023 1 9 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.658 -0.404 19699 6024 1 9 . 1 1 118 118 ASP H H 118 7.937 7.937 8.122 -0.185 19699 6025 1 9 . 1 1 119 119 SER N N 119 115.239 115.239 113.189 2.050 19699 6026 1 9 . 1 1 119 119 SER C C 119 173.992 173.992 174.156 -0.164 19699 6027 1 9 . 1 1 119 119 SER CA C 119 57.490 57.490 57.297 0.194 19699 6028 1 9 . 1 1 119 119 SER CB C 119 64.406 64.406 63.341 1.065 19699 6029 1 9 . 1 1 119 119 SER H H 119 7.831 7.831 7.841 -0.010 19699 6030 1 9 . 1 1 120 120 VAL N N 120 124.259 124.259 125.048 -0.789 19699 6031 1 9 . 1 1 120 120 VAL C C 120 175.395 175.395 175.825 -0.430 19699 6032 1 9 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.772 -1.640 19699 6033 1 9 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.102 -0.810 19699 6034 1 9 . 1 1 120 120 VAL H H 120 7.360 7.360 7.311 0.049 19699 6035 1 9 . 1 1 121 121 ARG N N 121 129.213 129.213 125.211 4.002 19699 6036 1 9 . 1 1 121 121 ARG C C 121 174.280 174.280 174.413 -0.133 19699 6037 1 9 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.632 2.391 19699 6038 1 9 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.655 -1.352 19699 6039 1 9 . 1 1 121 121 ARG H H 121 9.752 9.752 9.101 0.651 19699 6040 1 9 . 1 1 122 122 CYS N N 122 119.036 119.036 120.310 -1.274 19699 6041 1 9 . 1 1 122 122 CYS C C 122 174.282 174.282 174.409 -0.127 19699 6042 1 9 . 1 1 122 122 CYS CA C 122 54.809 54.809 58.519 -3.710 19699 6043 1 9 . 1 1 122 122 CYS CB C 122 46.263 46.263 26.944 19.320 19699 6044 1 9 . 1 1 122 122 CYS H H 122 8.568 8.568 8.722 -0.154 19699 6045 1 9 . 1 1 123 123 ARG N N 123 124.532 124.532 126.557 -2.025 19699 6046 1 9 . 1 1 123 123 ARG C C 123 175.100 175.100 174.462 0.638 19699 6047 1 9 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.580 -0.422 19699 6048 1 9 . 1 1 123 123 ARG CB C 123 30.910 30.910 31.610 -0.700 19699 6049 1 9 . 1 1 123 123 ARG H H 123 9.099 9.099 9.018 0.082 19699 6050 1 9 . 1 1 124 124 LEU N N 124 132.168 132.168 128.814 3.354 19699 6051 1 9 . 1 1 124 124 LEU C C 124 173.758 173.758 174.463 -0.705 19699 6052 1 9 . 1 1 124 124 LEU H H 124 10.076 10.076 9.329 0.747 19699 6053 1 9 . 1 1 125 125 ARG N N 125 128.271 128.271 129.167 -0.896 19699 6054 1 9 . 1 1 125 125 ARG C C 125 175.505 175.505 174.600 0.905 19699 6055 1 9 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.172 -0.570 19699 6056 1 9 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.128 -1.329 19699 6057 1 9 . 1 1 125 125 ARG H H 125 9.086 9.086 9.208 -0.122 19699 6058 1 9 . 1 1 126 126 MET N N 126 108.020 108.020 128.421 -20.401 19699 6059 1 9 . 1 1 126 126 MET C C 126 174.911 174.911 174.046 0.865 19699 6060 1 9 . 1 1 126 126 MET CA C 126 54.118 54.118 54.660 -0.542 19699 6061 1 9 . 1 1 126 126 MET CB C 126 33.459 33.459 35.290 -1.831 19699 6062 1 9 . 1 1 126 126 MET H H 126 9.003 9.003 9.047 -0.044 19699 6063 1 9 . 1 1 127 127 CYS N N 127 126.794 126.794 127.019 -0.225 19699 6064 1 9 . 1 1 127 127 CYS CA C 127 52.185 52.185 56.077 -3.892 19699 6065 1 9 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.221 20.041 19699 6066 1 9 . 1 1 127 127 CYS H H 127 8.849 8.849 8.910 -0.061 19699 6067 1 9 . 1 1 128 128 PRO C C 128 174.880 174.880 175.836 -0.956 19699 6068 1 9 . 1 1 129 129 TRP N N 129 118.064 118.064 119.420 -1.356 19699 6069 1 9 . 1 1 129 129 TRP C C 129 173.252 173.252 174.074 -0.822 19699 6070 1 9 . 1 1 129 129 TRP CA C 129 55.336 55.336 54.971 0.365 19699 6071 1 9 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.605 -0.559 19699 6072 1 9 . 1 1 129 129 TRP H H 129 7.775 7.775 8.631 -0.856 19699 6073 1 9 . 1 1 130 130 THR N N 130 112.900 112.900 112.703 0.197 19699 6074 1 9 . 1 1 130 130 THR C C 130 172.690 172.690 173.808 -1.118 19699 6075 1 9 . 1 1 130 130 THR CA C 130 58.923 58.923 60.384 -1.461 19699 6076 1 9 . 1 1 130 130 THR CB C 130 69.380 69.380 70.302 -0.922 19699 6077 1 9 . 1 1 130 130 THR H H 130 8.810 8.810 8.435 0.375 19699 6078 1 9 . 1 1 131 131 SER N N 131 122.448 122.448 116.550 5.898 19699 6079 1 9 . 1 1 131 131 SER C C 131 174.399 174.399 174.149 0.250 19699 6080 1 9 . 1 1 131 131 SER CA C 131 58.582 58.582 58.257 0.325 19699 6081 1 9 . 1 1 131 131 SER CB C 131 63.356 63.356 63.710 -0.354 19699 6082 1 9 . 1 1 131 131 SER H H 131 8.898 8.898 8.761 0.137 19699 6083 1 9 . 1 1 132 132 ASN N N 132 124.196 124.196 122.343 1.853 19699 6084 1 9 . 1 1 132 132 ASN C C 132 175.577 175.577 175.966 -0.389 19699 6085 1 9 . 1 1 132 132 ASN CA C 132 52.167 52.167 52.087 0.080 19699 6086 1 9 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.641 -0.570 19699 6087 1 9 . 1 1 132 132 ASN H H 132 8.785 8.785 7.545 1.240 19699 6088 1 9 . 1 1 133 133 SER N N 133 120.691 120.691 122.544 -1.853 19699 6089 1 9 . 1 1 133 133 SER C C 133 174.574 174.574 175.505 -0.931 19699 6090 1 9 . 1 1 133 133 SER CA C 133 59.820 59.820 59.881 -0.061 19699 6091 1 9 . 1 1 133 133 SER CB C 133 62.342 62.342 62.850 -0.508 19699 6092 1 9 . 1 1 133 133 SER H H 133 8.580 8.580 8.654 -0.074 19699 6093 1 9 . 1 1 134 134 LYS N N 134 119.450 119.450 120.764 -1.314 19699 6094 1 9 . 1 1 134 134 LYS C C 134 176.698 176.698 176.878 -0.180 19699 6095 1 9 . 1 1 134 134 LYS CA C 134 55.687 55.687 57.084 -1.397 19699 6096 1 9 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.539 -1.179 19699 6097 1 9 . 1 1 134 134 LYS H H 134 7.904 7.904 7.987 -0.083 19699 6098 1 9 . 1 1 135 135 MET N N 135 121.695 121.695 119.119 2.576 19699 6099 1 9 . 1 1 135 135 MET C C 135 175.354 175.354 176.498 -1.144 19699 6100 1 9 . 1 1 135 135 MET CA C 135 55.498 55.498 55.897 -0.399 19699 6101 1 9 . 1 1 135 135 MET CB C 135 33.295 33.295 33.448 -0.153 19699 6102 1 9 . 1 1 135 135 MET H H 135 7.343 7.343 7.588 -0.245 19699 6103 1 9 . 1 1 136 136 THR N N 136 114.220 114.220 113.622 0.598 19699 6104 1 9 . 1 1 136 136 THR C C 136 173.806 173.806 173.136 0.670 19699 6105 1 9 . 1 1 136 136 THR CA C 136 61.228 61.228 61.145 0.083 19699 6106 1 9 . 1 1 136 136 THR CB C 136 69.201 69.201 69.345 -0.144 19699 6107 1 9 . 1 1 136 136 THR H H 136 8.633 8.633 8.735 -0.102 19699 6108 1 9 . 1 1 137 137 ALA N N 137 125.205 125.205 122.339 2.866 19699 6109 1 9 . 1 1 137 137 ALA C C 137 173.600 173.600 174.545 -0.945 19699 6110 1 9 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.053 -0.211 19699 6111 1 9 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.494 -1.366 19699 6112 1 9 . 1 1 137 137 ALA H H 137 7.637 7.637 7.482 0.155 19699 6113 1 9 . 1 1 138 138 PRO C C 138 175.117 175.117 175.752 -0.635 19699 6114 1 9 . 1 1 139 139 ASP N N 139 121.528 121.528 120.842 0.686 19699 6115 1 9 . 1 1 139 139 ASP C C 139 174.966 174.966 177.029 -2.063 19699 6116 1 9 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.047 -0.470 19699 6117 1 9 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.479 -0.736 19699 6118 1 9 . 1 1 139 139 ASP H H 139 7.299 7.299 8.040 -0.741 19699 6119 1 9 . 1 1 140 140 GLU N N 140 118.631 118.631 119.859 -1.228 19699 6120 1 9 . 1 1 140 140 GLU C C 140 178.914 178.914 178.414 0.500 19699 6121 1 9 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.479 -0.673 19699 6122 1 9 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.681 -1.163 19699 6123 1 9 . 1 1 140 140 GLU H H 140 8.524 8.524 8.669 -0.145 19699 6124 1 9 . 1 1 141 141 GLU N N 141 119.900 119.900 119.185 0.715 19699 6125 1 9 . 1 1 141 141 GLU C C 141 178.162 178.162 178.985 -0.823 19699 6126 1 9 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.358 -0.709 19699 6127 1 9 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.278 -0.871 19699 6128 1 9 . 1 1 141 141 GLU H H 141 8.116 8.116 8.469 -0.353 19699 6129 1 9 . 1 1 142 142 MET N N 142 121.303 121.303 118.682 2.621 19699 6130 1 9 . 1 1 142 142 MET C C 142 178.689 178.689 178.908 -0.219 19699 6131 1 9 . 1 1 142 142 MET CA C 142 59.370 59.370 59.407 -0.037 19699 6132 1 9 . 1 1 142 142 MET CB C 142 33.252 33.252 32.737 0.515 19699 6133 1 9 . 1 1 142 142 MET H H 142 7.989 7.989 9.000 -1.011 19699 6134 1 9 . 1 1 143 143 LEU N N 143 117.901 117.901 119.303 -1.402 19699 6135 1 9 . 1 1 143 143 LEU C C 143 180.619 180.619 178.453 2.166 19699 6136 1 9 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.626 0.187 19699 6137 1 9 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.566 -1.297 19699 6138 1 9 . 1 1 143 143 LEU H H 143 8.485 8.485 8.304 0.181 19699 6139 1 9 . 1 1 144 144 ARG N N 144 120.175 120.175 117.194 2.981 19699 6140 1 9 . 1 1 144 144 ARG C C 144 180.648 180.648 178.848 1.800 19699 6141 1 9 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.606 -0.356 19699 6142 1 9 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.238 -1.313 19699 6143 1 9 . 1 1 144 144 ARG H H 144 7.900 7.900 8.260 -0.360 19699 6144 1 9 . 1 1 145 145 LYS N N 145 119.936 119.936 119.338 0.598 19699 6145 1 9 . 1 1 145 145 LYS C C 145 178.813 178.813 179.134 -0.321 19699 6146 1 9 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.312 -0.688 19699 6147 1 9 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.430 -0.367 19699 6148 1 9 . 1 1 145 145 LYS H H 145 7.850 7.850 8.034 -0.184 19699 6149 1 9 . 1 1 146 146 MET N N 146 115.986 115.986 117.426 -1.440 19699 6150 1 9 . 1 1 146 146 MET C C 146 176.094 176.094 176.659 -0.565 19699 6151 1 9 . 1 1 146 146 MET CA C 146 55.267 55.267 56.061 -0.794 19699 6152 1 9 . 1 1 146 146 MET CB C 146 32.898 32.898 32.468 0.430 19699 6153 1 9 . 1 1 146 146 MET H H 146 7.776 7.776 8.174 -0.398 19699 6154 1 9 . 1 1 147 147 SER N N 147 119.679 119.679 116.618 3.061 19699 6155 1 9 . 1 1 147 147 SER C C 147 175.114 175.114 176.181 -1.067 19699 6156 1 9 . 1 1 147 147 SER CA C 147 62.736 62.736 62.069 0.667 19699 6157 1 9 . 1 1 147 147 SER CB C 147 62.105 62.105 62.980 -0.875 19699 6158 1 9 . 1 1 147 147 SER H H 147 7.430 7.430 7.834 -0.404 19699 6159 1 9 . 1 1 148 148 GLU N N 148 117.968 117.968 121.744 -3.776 19699 6160 1 9 . 1 1 148 148 GLU C C 148 179.313 179.313 177.684 1.629 19699 6161 1 9 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.680 0.395 19699 6162 1 9 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.460 0.078 19699 6163 1 9 . 1 1 148 148 GLU H H 148 9.216 9.216 8.201 1.015 19699 6164 1 9 . 1 1 149 149 VAL N N 149 115.349 115.349 118.113 -2.764 19699 6165 1 9 . 1 1 149 149 VAL C C 149 176.790 176.790 177.664 -0.874 19699 6166 1 9 . 1 1 149 149 VAL CA C 149 63.864 63.864 65.257 -1.393 19699 6167 1 9 . 1 1 149 149 VAL H H 149 7.325 7.325 7.742 -0.417 19699 6168 1 9 . 1 1 150 150 LEU N N 150 119.724 119.724 120.616 -0.892 19699 6169 1 9 . 1 1 150 150 LEU C C 150 178.010 178.010 177.943 0.067 19699 6170 1 9 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.563 -0.354 19699 6171 1 9 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.428 -2.002 19699 6172 1 9 . 1 1 150 150 LEU H H 150 7.387 7.387 8.440 -1.053 19699 6173 1 9 . 1 1 151 151 ASN N N 151 112.853 112.853 116.396 -3.543 19699 6174 1 9 . 1 1 151 151 ASN C C 151 176.682 176.682 174.760 1.922 19699 6175 1 9 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.450 -0.360 19699 6176 1 9 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.590 -0.294 19699 6177 1 9 . 1 1 151 151 ASN H H 151 7.593 7.593 7.732 -0.139 19699 6178 1 9 . 1 1 152 152 LEU N N 152 122.057 122.057 122.347 -0.290 19699 6179 1 9 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.524 0.929 19699 6180 1 9 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.437 -1.848 19699 6181 1 9 . 1 1 152 152 LEU H H 152 7.193 7.193 7.615 -0.422 19699 6182 1 9 . 1 1 153 153 PRO C C 153 177.670 177.670 175.778 1.892 19699 6183 1 9 . 1 1 154 154 ASN N N 154 121.894 121.894 119.538 2.356 19699 6184 1 9 . 1 1 154 154 ASN C C 154 176.786 176.786 175.107 1.679 19699 6185 1 9 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.546 -0.789 19699 6186 1 9 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.516 -1.687 19699 6187 1 9 . 1 1 154 154 ASN H H 154 8.824 8.824 8.553 0.271 19699 6188 1 9 . 1 1 155 155 TYR N N 155 124.386 124.386 124.164 0.222 19699 6189 1 9 . 1 1 155 155 TYR C C 155 173.048 173.048 173.858 -0.810 19699 6190 1 9 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.303 -2.580 19699 6191 1 9 . 1 1 155 155 TYR CB C 155 39.711 39.711 41.151 -1.440 19699 6192 1 9 . 1 1 155 155 TYR H H 155 8.245 8.245 8.669 -0.424 19699 6193 1 10 . 1 1 2 2 HIS N N 2 122.591 122.591 121.994 0.597 19699 6194 1 10 . 1 1 2 2 HIS C C 2 174.514 174.514 174.748 -0.234 19699 6195 1 10 . 1 1 2 2 HIS CA C 2 54.301 54.301 54.684 -0.384 19699 6196 1 10 . 1 1 2 2 HIS CB C 2 28.454 28.454 30.921 -2.467 19699 6197 1 10 . 1 1 2 2 HIS H H 2 8.695 8.695 9.122 -0.427 19699 6198 1 10 . 1 1 3 3 SER N N 3 120.223 120.223 119.412 0.811 19699 6199 1 10 . 1 1 3 3 SER C C 3 175.623 175.623 174.900 0.723 19699 6200 1 10 . 1 1 3 3 SER CA C 3 58.703 58.703 58.981 -0.278 19699 6201 1 10 . 1 1 3 3 SER CB C 3 63.275 63.275 63.659 -0.384 19699 6202 1 10 . 1 1 3 3 SER H H 3 8.797 8.797 9.023 -0.226 19699 6203 1 10 . 1 1 4 4 LEU N N 4 126.300 126.300 127.377 -1.077 19699 6204 1 10 . 1 1 4 4 LEU C C 4 175.677 175.677 176.236 -0.559 19699 6205 1 10 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.567 -0.518 19699 6206 1 10 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.425 0.182 19699 6207 1 10 . 1 1 4 4 LEU H H 4 8.332 8.332 8.903 -0.571 19699 6208 1 10 . 1 1 5 5 GLY N N 5 108.289 108.289 107.182 1.107 19699 6209 1 10 . 1 1 5 5 GLY C C 5 171.743 171.743 171.996 -0.253 19699 6210 1 10 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.227 -0.577 19699 6211 1 10 . 1 1 5 5 GLY H H 5 7.737 7.737 7.569 0.168 19699 6212 1 10 . 1 1 6 6 CYS N N 6 112.366 112.366 119.171 -6.805 19699 6213 1 10 . 1 1 6 6 CYS C C 6 172.715 172.715 173.911 -1.196 19699 6214 1 10 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.855 -3.131 19699 6215 1 10 . 1 1 6 6 CYS CB C 6 48.588 48.588 30.275 18.313 19699 6216 1 10 . 1 1 6 6 CYS H H 6 7.688 7.688 7.972 -0.284 19699 6217 1 10 . 1 1 7 7 TYR N N 7 122.399 122.399 119.696 2.703 19699 6218 1 10 . 1 1 7 7 TYR C C 7 174.024 174.024 174.383 -0.359 19699 6219 1 10 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.084 0.569 19699 6220 1 10 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.774 -2.252 19699 6221 1 10 . 1 1 7 7 TYR H H 7 8.733 8.733 9.084 -0.351 19699 6222 1 10 . 1 1 8 8 PHE N N 8 123.806 123.806 122.033 1.773 19699 6223 1 10 . 1 1 8 8 PHE C C 8 175.708 175.708 175.619 0.089 19699 6224 1 10 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.870 -0.162 19699 6225 1 10 . 1 1 8 8 PHE CB C 8 39.575 39.575 41.068 -1.493 19699 6226 1 10 . 1 1 8 8 PHE H H 8 9.088 9.088 9.009 0.079 19699 6227 1 10 . 1 1 9 9 LYS N N 9 121.663 121.663 123.388 -1.725 19699 6228 1 10 . 1 1 9 9 LYS C C 9 176.024 176.024 175.571 0.453 19699 6229 1 10 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.951 -2.562 19699 6230 1 10 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.933 0.628 19699 6231 1 10 . 1 1 9 9 LYS H H 9 9.284 9.284 9.169 0.115 19699 6232 1 10 . 1 1 10 10 GLY N N 10 109.739 109.739 108.269 1.470 19699 6233 1 10 . 1 1 10 10 GLY C C 10 172.722 172.722 173.538 -0.816 19699 6234 1 10 . 1 1 10 10 GLY CA C 10 44.202 44.202 43.928 0.274 19699 6235 1 10 . 1 1 10 10 GLY H H 10 8.755 8.755 8.741 0.014 19699 6236 1 10 . 1 1 11 11 ILE N N 11 122.761 122.761 124.069 -1.308 19699 6237 1 10 . 1 1 11 11 ILE C C 11 174.106 174.106 174.793 -0.687 19699 6238 1 10 . 1 1 11 11 ILE CA C 11 60.112 60.112 60.237 -0.125 19699 6239 1 10 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.559 1.186 19699 6240 1 10 . 1 1 11 11 ILE H H 11 8.212 8.212 8.910 -0.698 19699 6241 1 10 . 1 1 12 12 ASN N N 12 127.675 127.675 126.766 0.909 19699 6242 1 10 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.282 -0.543 19699 6243 1 10 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.362 -0.777 19699 6244 1 10 . 1 1 12 12 ASN H H 12 9.050 9.050 8.763 0.287 19699 6245 1 10 . 1 1 13 13 PRO C C 13 176.450 176.450 176.427 0.023 19699 6246 1 10 . 1 1 14 14 THR N N 14 115.695 115.695 118.327 -2.632 19699 6247 1 10 . 1 1 14 14 THR C C 14 173.172 173.172 173.799 -0.627 19699 6248 1 10 . 1 1 14 14 THR CA C 14 59.908 59.908 62.037 -2.129 19699 6249 1 10 . 1 1 14 14 THR CB C 14 70.727 70.727 70.991 -0.264 19699 6250 1 10 . 1 1 14 14 THR H H 14 9.320 9.320 8.421 0.899 19699 6251 1 10 . 1 1 15 15 LYS N N 15 123.952 123.952 128.423 -4.471 19699 6252 1 10 . 1 1 15 15 LYS C C 15 177.147 177.147 175.615 1.532 19699 6253 1 10 . 1 1 15 15 LYS CA C 15 55.686 55.686 55.783 -0.097 19699 6254 1 10 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.352 -1.388 19699 6255 1 10 . 1 1 15 15 LYS H H 15 8.534 8.534 8.682 -0.148 19699 6256 1 10 . 1 1 16 16 VAL N N 16 129.976 129.976 127.816 2.160 19699 6257 1 10 . 1 1 16 16 VAL CA C 16 58.944 58.944 58.651 0.292 19699 6258 1 10 . 1 1 16 16 VAL CB C 16 32.014 32.014 34.398 -2.384 19699 6259 1 10 . 1 1 16 16 VAL H H 16 8.836 8.836 8.836 0.000 19699 6260 1 10 . 1 1 17 17 PRO C C 17 176.397 176.397 176.008 0.389 19699 6261 1 10 . 1 1 18 18 SER N N 18 117.885 117.885 115.257 2.628 19699 6262 1 10 . 1 1 18 18 SER C C 18 174.516 174.516 175.114 -0.598 19699 6263 1 10 . 1 1 18 18 SER CA C 18 56.695 56.695 57.276 -0.581 19699 6264 1 10 . 1 1 18 18 SER CB C 18 64.232 64.232 64.430 -0.198 19699 6265 1 10 . 1 1 18 18 SER H H 18 8.303 8.303 7.883 0.420 19699 6266 1 10 . 1 1 19 19 SER N N 19 120.346 120.346 118.118 2.228 19699 6267 1 10 . 1 1 19 19 SER C C 19 173.829 173.829 174.873 -1.044 19699 6268 1 10 . 1 1 19 19 SER CA C 19 58.080 58.080 59.457 -1.377 19699 6269 1 10 . 1 1 19 19 SER CB C 19 62.659 62.659 63.181 -0.522 19699 6270 1 10 . 1 1 19 19 SER H H 19 8.679 8.679 8.559 0.120 19699 6271 1 10 . 1 1 20 20 ASP N N 20 126.377 126.377 124.166 2.211 19699 6272 1 10 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.654 -0.270 19699 6273 1 10 . 1 1 20 20 ASP CB C 20 41.535 41.535 40.825 0.710 19699 6274 1 10 . 1 1 20 20 ASP H H 20 8.247 8.247 7.655 0.592 19699 6275 1 10 . 1 1 21 21 PRO C C 21 177.616 177.616 175.118 2.498 19699 6276 1 10 . 1 1 22 22 ARG N N 22 119.127 119.127 116.407 2.720 19699 6277 1 10 . 1 1 22 22 ARG C C 22 175.307 175.307 174.096 1.211 19699 6278 1 10 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.462 -0.049 19699 6279 1 10 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.692 -2.887 19699 6280 1 10 . 1 1 22 22 ARG H H 22 8.692 8.692 7.947 0.745 19699 6281 1 10 . 1 1 23 23 THR N N 23 120.270 120.270 111.685 8.585 19699 6282 1 10 . 1 1 23 23 THR C C 23 172.509 172.509 173.560 -1.051 19699 6283 1 10 . 1 1 23 23 THR CA C 23 63.089 63.089 59.386 3.703 19699 6284 1 10 . 1 1 23 23 THR CB C 23 69.254 69.254 71.912 -2.659 19699 6285 1 10 . 1 1 23 23 THR H H 23 8.265 8.265 8.296 -0.031 19699 6286 1 10 . 1 1 24 24 VAL N N 24 129.461 129.461 122.244 7.217 19699 6287 1 10 . 1 1 24 24 VAL C C 24 174.663 174.663 174.672 -0.009 19699 6288 1 10 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.066 -0.082 19699 6289 1 10 . 1 1 24 24 VAL CB C 24 31.604 31.604 33.478 -1.874 19699 6290 1 10 . 1 1 24 24 VAL H H 24 8.992 8.992 8.513 0.479 19699 6291 1 10 . 1 1 25 25 LEU N N 25 126.449 126.449 128.776 -2.327 19699 6292 1 10 . 1 1 25 25 LEU C C 25 174.669 174.669 175.509 -0.840 19699 6293 1 10 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.285 -1.038 19699 6294 1 10 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.220 1.942 19699 6295 1 10 . 1 1 25 25 LEU H H 25 9.281 9.281 8.774 0.507 19699 6296 1 10 . 1 1 26 26 LYS N N 26 120.574 120.574 125.127 -4.553 19699 6297 1 10 . 1 1 26 26 LYS C C 26 175.637 175.637 175.155 0.482 19699 6298 1 10 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.209 -1.544 19699 6299 1 10 . 1 1 26 26 LYS CB C 26 36.820 36.820 34.590 2.230 19699 6300 1 10 . 1 1 26 26 LYS H H 26 8.832 8.832 8.685 0.147 19699 6301 1 10 . 1 1 27 27 CYS N N 27 126.079 126.079 128.559 -2.480 19699 6302 1 10 . 1 1 27 27 CYS C C 27 172.527 172.527 173.990 -1.463 19699 6303 1 10 . 1 1 27 27 CYS CA C 27 52.428 52.428 57.418 -4.990 19699 6304 1 10 . 1 1 27 27 CYS CB C 27 44.628 44.628 25.661 18.967 19699 6305 1 10 . 1 1 27 27 CYS H H 27 8.709 8.709 8.978 -0.269 19699 6306 1 10 . 1 1 28 28 THR N N 28 122.887 122.887 122.414 0.473 19699 6307 1 10 . 1 1 28 28 THR C C 28 172.844 172.844 173.584 -0.740 19699 6308 1 10 . 1 1 28 28 THR CA C 28 64.228 64.228 63.671 0.557 19699 6309 1 10 . 1 1 28 28 THR CB C 28 68.222 68.222 69.366 -1.144 19699 6310 1 10 . 1 1 28 28 THR H H 28 8.086 8.086 8.411 -0.325 19699 6311 1 10 . 1 1 29 29 LEU N N 29 127.761 127.761 128.792 -1.031 19699 6312 1 10 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.688 -1.327 19699 6313 1 10 . 1 1 29 29 LEU CB C 29 39.791 39.791 42.043 -2.252 19699 6314 1 10 . 1 1 29 29 LEU H H 29 8.452 8.452 8.141 0.311 19699 6315 1 10 . 1 1 30 30 PRO C C 30 174.451 174.451 175.900 -1.449 19699 6316 1 10 . 1 1 31 31 ASP N N 31 120.693 120.693 122.304 -1.611 19699 6317 1 10 . 1 1 31 31 ASP C C 31 175.442 175.442 175.271 0.171 19699 6318 1 10 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.786 -0.864 19699 6319 1 10 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.761 -1.516 19699 6320 1 10 . 1 1 31 31 ASP H H 31 8.380 8.380 8.512 -0.132 19699 6321 1 10 . 1 1 32 32 VAL N N 32 127.962 127.962 124.010 3.952 19699 6322 1 10 . 1 1 32 32 VAL C C 32 173.841 173.841 175.423 -1.582 19699 6323 1 10 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.562 -0.594 19699 6324 1 10 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.169 0.233 19699 6325 1 10 . 1 1 32 32 VAL H H 32 7.195 7.195 7.706 -0.511 19699 6326 1 10 . 1 1 33 33 LYS N N 33 127.967 127.967 129.969 -2.002 19699 6327 1 10 . 1 1 33 33 LYS C C 33 176.805 176.805 175.270 1.535 19699 6328 1 10 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.580 -0.822 19699 6329 1 10 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.664 -1.591 19699 6330 1 10 . 1 1 33 33 LYS H H 33 8.375 8.375 8.825 -0.450 19699 6331 1 10 . 1 1 34 34 VAL N N 34 110.772 110.772 119.745 -8.973 19699 6332 1 10 . 1 1 34 34 VAL C C 34 174.766 174.766 174.212 0.554 19699 6333 1 10 . 1 1 34 34 VAL CA C 34 56.939 56.939 59.926 -2.987 19699 6334 1 10 . 1 1 34 34 VAL CB C 34 34.674 34.674 36.792 -2.118 19699 6335 1 10 . 1 1 34 34 VAL H H 34 6.445 6.445 7.648 -1.203 19699 6336 1 10 . 1 1 35 35 ASN N N 35 123.757 123.757 123.845 -0.088 19699 6337 1 10 . 1 1 35 35 ASN C C 35 173.218 173.218 173.478 -0.260 19699 6338 1 10 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.341 0.295 19699 6339 1 10 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.180 -0.052 19699 6340 1 10 . 1 1 35 35 ASN H H 35 8.723 8.723 8.654 0.069 19699 6341 1 10 . 1 1 36 36 ALA N N 36 124.355 124.355 124.803 -0.448 19699 6342 1 10 . 1 1 36 36 ALA C C 36 175.731 175.731 174.720 1.011 19699 6343 1 10 . 1 1 36 36 ALA H H 36 7.176 7.176 8.025 -0.849 19699 6344 1 10 . 1 1 37 37 SER N N 37 116.842 116.842 114.888 1.954 19699 6345 1 10 . 1 1 37 37 SER C C 37 173.137 173.137 173.318 -0.181 19699 6346 1 10 . 1 1 37 37 SER CA C 37 56.592 56.592 55.696 0.896 19699 6347 1 10 . 1 1 37 37 SER CB C 37 65.760 65.760 65.294 0.466 19699 6348 1 10 . 1 1 37 37 SER H H 37 8.185 8.185 8.040 0.145 19699 6349 1 10 . 1 1 38 38 TRP N N 38 123.519 123.519 125.983 -2.464 19699 6350 1 10 . 1 1 38 38 TRP C C 38 174.100 174.100 176.122 -2.022 19699 6351 1 10 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.505 -0.671 19699 6352 1 10 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.543 -4.949 19699 6353 1 10 . 1 1 38 38 TRP H H 38 8.895 8.895 9.024 -0.129 19699 6354 1 10 . 1 1 39 39 THR N N 39 120.476 120.476 120.003 0.473 19699 6355 1 10 . 1 1 39 39 THR C C 39 174.400 174.400 173.720 0.680 19699 6356 1 10 . 1 1 39 39 THR CA C 39 61.580 61.580 61.598 -0.018 19699 6357 1 10 . 1 1 39 39 THR CB C 39 70.182 70.182 70.409 -0.227 19699 6358 1 10 . 1 1 39 39 THR H H 39 9.073 9.073 9.000 0.073 19699 6359 1 10 . 1 1 40 40 LEU N N 40 129.561 129.561 127.868 1.693 19699 6360 1 10 . 1 1 40 40 LEU C C 40 173.008 173.008 175.603 -2.595 19699 6361 1 10 . 1 1 40 40 LEU H H 40 10.036 10.036 9.101 0.935 19699 6362 1 10 . 1 1 41 41 GLU N N 41 126.217 126.217 123.254 2.963 19699 6363 1 10 . 1 1 41 41 GLU C C 41 174.208 174.208 174.931 -0.723 19699 6364 1 10 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.496 -1.345 19699 6365 1 10 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.901 -2.809 19699 6366 1 10 . 1 1 41 41 GLU H H 41 8.504 8.504 8.391 0.113 19699 6367 1 10 . 1 1 42 42 TRP N N 42 131.942 131.942 127.333 4.609 19699 6368 1 10 . 1 1 42 42 TRP C C 42 174.332 174.332 175.972 -1.640 19699 6369 1 10 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.914 -1.830 19699 6370 1 10 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.488 -2.575 19699 6371 1 10 . 1 1 42 42 TRP H H 42 9.446 9.446 9.054 0.392 19699 6372 1 10 . 1 1 43 43 VAL N N 43 127.871 127.871 123.440 4.431 19699 6373 1 10 . 1 1 43 43 VAL C C 43 175.693 175.693 175.037 0.656 19699 6374 1 10 . 1 1 43 43 VAL CA C 43 62.219 62.219 61.002 1.217 19699 6375 1 10 . 1 1 43 43 VAL CB C 43 31.454 31.454 35.021 -3.567 19699 6376 1 10 . 1 1 43 43 VAL H H 43 9.065 9.065 9.396 -0.331 19699 6377 1 10 . 1 1 44 44 VAL N N 44 129.882 129.882 126.639 3.243 19699 6378 1 10 . 1 1 44 44 VAL C C 44 176.740 176.740 176.375 0.365 19699 6379 1 10 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.216 -0.041 19699 6380 1 10 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.022 -3.537 19699 6381 1 10 . 1 1 44 44 VAL H H 44 8.895 8.895 9.021 -0.126 19699 6382 1 10 . 1 1 45 45 VAL N N 45 125.719 125.719 129.651 -3.932 19699 6383 1 10 . 1 1 45 45 VAL C C 45 179.320 179.320 176.483 2.837 19699 6384 1 10 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.937 0.925 19699 6385 1 10 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.054 -0.849 19699 6386 1 10 . 1 1 45 45 VAL H H 45 7.462 7.462 8.289 -0.827 19699 6387 1 10 . 1 1 46 46 ASN N N 46 114.964 114.964 116.059 -1.095 19699 6388 1 10 . 1 1 46 46 ASN C C 46 175.545 175.545 176.000 -0.455 19699 6389 1 10 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.227 -0.417 19699 6390 1 10 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.563 -2.486 19699 6391 1 10 . 1 1 46 46 ASN H H 46 8.550 8.550 7.655 0.895 19699 6392 1 10 . 1 1 47 47 LEU N N 47 117.360 117.360 116.160 1.200 19699 6393 1 10 . 1 1 47 47 LEU C C 47 175.920 175.920 176.261 -0.341 19699 6394 1 10 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.374 -1.108 19699 6395 1 10 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.335 -0.690 19699 6396 1 10 . 1 1 47 47 LEU H H 47 7.023 7.023 7.654 -0.631 19699 6397 1 10 . 1 1 48 48 HIS N N 48 116.042 116.042 114.373 1.669 19699 6398 1 10 . 1 1 48 48 HIS C C 48 172.021 172.021 173.981 -1.960 19699 6399 1 10 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.030 -1.436 19699 6400 1 10 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.994 -0.764 19699 6401 1 10 . 1 1 48 48 HIS H H 48 7.581 7.581 7.701 -0.120 19699 6402 1 10 . 1 1 49 49 THR N N 49 107.923 107.923 111.434 -3.511 19699 6403 1 10 . 1 1 49 49 THR C C 49 171.828 171.828 172.248 -0.420 19699 6404 1 10 . 1 1 49 49 THR CA C 49 58.493 58.493 60.371 -1.878 19699 6405 1 10 . 1 1 49 49 THR CB C 49 68.152 68.152 71.151 -2.999 19699 6406 1 10 . 1 1 49 49 THR H H 49 7.011 7.011 7.760 -0.749 19699 6407 1 10 . 1 1 50 50 SER N N 50 114.393 114.393 115.362 -0.969 19699 6408 1 10 . 1 1 50 50 SER C C 50 172.904 172.904 172.915 -0.011 19699 6409 1 10 . 1 1 50 50 SER CA C 50 55.318 55.318 56.733 -1.415 19699 6410 1 10 . 1 1 50 50 SER CB C 50 66.748 66.748 66.455 0.293 19699 6411 1 10 . 1 1 50 50 SER H H 50 8.066 8.066 8.251 -0.185 19699 6412 1 10 . 1 1 51 51 VAL N N 51 123.100 123.100 119.415 3.685 19699 6413 1 10 . 1 1 51 51 VAL C C 51 176.585 176.585 175.735 0.850 19699 6414 1 10 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.281 0.933 19699 6415 1 10 . 1 1 51 51 VAL CB C 51 31.351 31.351 33.001 -1.650 19699 6416 1 10 . 1 1 51 51 VAL H H 51 8.667 8.667 8.518 0.149 19699 6417 1 10 . 1 1 52 52 ASP N N 52 129.313 129.313 127.606 1.707 19699 6418 1 10 . 1 1 52 52 ASP C C 52 173.916 173.916 174.645 -0.729 19699 6419 1 10 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.097 2.645 19699 6420 1 10 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.097 0.831 19699 6421 1 10 . 1 1 52 52 ASP H H 52 9.402 9.402 8.757 0.645 19699 6422 1 10 . 1 1 53 53 VAL N N 53 118.437 118.437 120.905 -2.468 19699 6423 1 10 . 1 1 53 53 VAL C C 53 175.402 175.402 173.409 1.993 19699 6424 1 10 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.558 -1.790 19699 6425 1 10 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.625 0.221 19699 6426 1 10 . 1 1 53 53 VAL H H 53 7.080 7.080 8.245 -1.165 19699 6427 1 10 . 1 1 54 54 THR N N 54 115.972 115.972 118.284 -2.312 19699 6428 1 10 . 1 1 54 54 THR C C 54 174.081 174.081 173.375 0.706 19699 6429 1 10 . 1 1 54 54 THR CA C 54 58.682 58.682 59.801 -1.119 19699 6430 1 10 . 1 1 54 54 THR CB C 54 70.590 70.590 71.849 -1.259 19699 6431 1 10 . 1 1 54 54 THR H H 54 9.682 9.682 8.980 0.702 19699 6432 1 10 . 1 1 55 55 SER N N 55 117.493 117.493 118.015 -0.522 19699 6433 1 10 . 1 1 55 55 SER C C 55 172.532 172.532 173.005 -0.473 19699 6434 1 10 . 1 1 55 55 SER CA C 55 58.440 58.440 56.962 1.478 19699 6435 1 10 . 1 1 55 55 SER CB C 55 64.406 64.406 65.088 -0.682 19699 6436 1 10 . 1 1 55 55 SER H H 55 9.115 9.115 8.494 0.621 19699 6437 1 10 . 1 1 56 56 TYR N N 56 127.570 127.570 126.710 0.860 19699 6438 1 10 . 1 1 56 56 TYR C C 56 173.235 173.235 175.464 -2.229 19699 6439 1 10 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.331 1.960 19699 6440 1 10 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.710 -0.076 19699 6441 1 10 . 1 1 56 56 TYR H H 56 8.706 8.706 9.440 -0.734 19699 6442 1 10 . 1 1 57 57 TYR N N 57 126.921 126.921 121.098 5.823 19699 6443 1 10 . 1 1 57 57 TYR C C 57 175.189 175.189 174.857 0.332 19699 6444 1 10 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.398 -1.988 19699 6445 1 10 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.942 -2.399 19699 6446 1 10 . 1 1 57 57 TYR H H 57 9.160 9.160 9.612 -0.452 19699 6447 1 10 . 1 1 58 58 GLU N N 58 114.689 114.689 121.545 -6.856 19699 6448 1 10 . 1 1 58 58 GLU C C 58 176.098 176.098 174.782 1.316 19699 6449 1 10 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.160 0.161 19699 6450 1 10 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.245 -0.248 19699 6451 1 10 . 1 1 58 58 GLU H H 58 7.814 7.814 8.749 -0.935 19699 6452 1 10 . 1 1 59 59 SER N N 59 118.144 118.144 120.313 -2.169 19699 6453 1 10 . 1 1 59 59 SER C C 59 172.474 172.474 173.043 -0.569 19699 6454 1 10 . 1 1 59 59 SER CA C 59 56.261 56.261 56.630 -0.369 19699 6455 1 10 . 1 1 59 59 SER CB C 59 67.299 67.299 64.960 2.338 19699 6456 1 10 . 1 1 59 59 SER H H 59 9.059 9.059 8.518 0.541 19699 6457 1 10 . 1 1 60 60 SER N N 60 120.314 120.314 113.533 6.781 19699 6458 1 10 . 1 1 60 60 SER CA C 60 56.956 56.956 56.816 0.140 19699 6459 1 10 . 1 1 60 60 SER CB C 60 65.027 65.027 63.701 1.326 19699 6460 1 10 . 1 1 60 60 SER H H 60 9.489 9.489 8.764 0.725 19699 6461 1 10 . 1 1 61 61 PRO C C 61 175.753 175.753 176.962 -1.209 19699 6462 1 10 . 1 1 62 62 ASN N N 62 110.807 110.807 112.431 -1.624 19699 6463 1 10 . 1 1 62 62 ASN C C 62 174.630 174.630 175.099 -0.469 19699 6464 1 10 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.318 -1.908 19699 6465 1 10 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.353 -0.397 19699 6466 1 10 . 1 1 62 62 ASN H H 62 7.693 7.693 7.981 -0.288 19699 6467 1 10 . 1 1 63 63 SER N N 63 115.903 115.903 116.680 -0.777 19699 6468 1 10 . 1 1 63 63 SER C C 63 171.926 171.926 173.473 -1.547 19699 6469 1 10 . 1 1 63 63 SER CA C 63 57.927 57.927 57.177 0.750 19699 6470 1 10 . 1 1 63 63 SER CB C 63 64.472 64.472 64.797 -0.325 19699 6471 1 10 . 1 1 63 63 SER H H 63 7.636 7.636 8.253 -0.617 19699 6472 1 10 . 1 1 64 64 GLU N N 64 128.229 128.229 126.496 1.733 19699 6473 1 10 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.099 1.228 19699 6474 1 10 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.847 -4.411 19699 6475 1 10 . 1 1 64 64 GLU H H 64 9.432 9.432 8.638 0.794 19699 6476 1 10 . 1 1 65 65 PRO C C 65 175.912 175.912 176.014 -0.102 19699 6477 1 10 . 1 1 66 66 ARG N N 66 125.093 125.093 124.256 0.837 19699 6478 1 10 . 1 1 66 66 ARG C C 66 175.221 175.221 175.500 -0.279 19699 6479 1 10 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.299 0.454 19699 6480 1 10 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.013 -1.841 19699 6481 1 10 . 1 1 66 66 ARG H H 66 8.054 8.054 8.612 -0.558 19699 6482 1 10 . 1 1 67 67 PHE N N 67 126.028 126.028 123.825 2.203 19699 6483 1 10 . 1 1 67 67 PHE C C 67 174.478 174.478 175.186 -0.708 19699 6484 1 10 . 1 1 67 67 PHE CA C 67 58.896 58.896 58.788 0.108 19699 6485 1 10 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.934 -0.880 19699 6486 1 10 . 1 1 67 67 PHE H H 67 9.078 9.078 8.834 0.244 19699 6487 1 10 . 1 1 68 68 LEU N N 68 127.080 127.080 129.179 -2.099 19699 6488 1 10 . 1 1 68 68 LEU C C 68 175.994 175.994 175.493 0.501 19699 6489 1 10 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.585 -0.713 19699 6490 1 10 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.300 1.475 19699 6491 1 10 . 1 1 68 68 LEU H H 68 8.477 8.477 8.748 -0.271 19699 6492 1 10 . 1 1 69 69 ARG N N 69 111.037 111.037 111.881 -0.844 19699 6493 1 10 . 1 1 69 69 ARG C C 69 172.738 172.738 173.429 -0.691 19699 6494 1 10 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.468 0.458 19699 6495 1 10 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.175 -2.446 19699 6496 1 10 . 1 1 69 69 ARG H H 69 6.560 6.560 7.068 -0.508 19699 6497 1 10 . 1 1 70 70 ALA N N 70 124.959 124.959 123.423 1.536 19699 6498 1 10 . 1 1 70 70 ALA C C 70 177.538 177.538 176.174 1.364 19699 6499 1 10 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.885 -0.730 19699 6500 1 10 . 1 1 70 70 ALA CB C 70 18.600 18.600 21.954 -3.354 19699 6501 1 10 . 1 1 70 70 ALA H H 70 8.749 8.749 8.455 0.294 19699 6502 1 10 . 1 1 71 71 ILE N N 71 120.318 120.318 123.209 -2.891 19699 6503 1 10 . 1 1 71 71 ILE C C 71 174.971 174.971 175.343 -0.372 19699 6504 1 10 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.985 -0.804 19699 6505 1 10 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.126 -1.626 19699 6506 1 10 . 1 1 71 71 ILE H H 71 8.532 8.532 9.088 -0.556 19699 6507 1 10 . 1 1 72 72 LEU N N 72 124.858 124.858 126.858 -2.000 19699 6508 1 10 . 1 1 72 72 LEU C C 72 176.383 176.383 176.964 -0.581 19699 6509 1 10 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.368 0.778 19699 6510 1 10 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.001 -1.466 19699 6511 1 10 . 1 1 72 72 LEU H H 72 8.370 8.370 8.738 -0.368 19699 6512 1 10 . 1 1 73 73 ASN N N 73 118.206 118.206 121.734 -3.528 19699 6513 1 10 . 1 1 73 73 ASN C C 73 174.181 174.181 175.249 -1.068 19699 6514 1 10 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.295 -1.606 19699 6515 1 10 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.033 -0.923 19699 6516 1 10 . 1 1 73 73 ASN H H 73 8.220 8.220 8.598 -0.378 19699 6517 1 10 . 1 1 74 74 PHE N N 74 123.331 123.331 122.306 1.025 19699 6518 1 10 . 1 1 74 74 PHE C C 74 176.458 176.458 175.944 0.514 19699 6519 1 10 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.771 -0.377 19699 6520 1 10 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.767 -0.219 19699 6521 1 10 . 1 1 74 74 PHE H H 74 7.606 7.606 8.078 -0.472 19699 6522 1 10 . 1 1 75 75 THR N N 75 109.350 109.350 114.926 -5.576 19699 6523 1 10 . 1 1 75 75 THR H H 75 7.826 7.826 8.032 -0.206 19699 6524 1 10 . 1 1 76 76 PRO C C 76 176.832 176.832 177.115 -0.283 19699 6525 1 10 . 1 1 77 77 MET N N 77 122.265 122.265 117.037 5.228 19699 6526 1 10 . 1 1 77 77 MET C C 77 176.515 176.515 177.135 -0.620 19699 6527 1 10 . 1 1 77 77 MET CA C 77 55.525 55.525 58.105 -2.580 19699 6528 1 10 . 1 1 77 77 MET CB C 77 30.039 30.039 32.524 -2.485 19699 6529 1 10 . 1 1 77 77 MET H H 77 8.404 8.404 8.762 -0.358 19699 6530 1 10 . 1 1 78 78 HIS N N 78 123.575 123.575 118.571 5.004 19699 6531 1 10 . 1 1 78 78 HIS C C 78 175.951 175.951 175.596 0.355 19699 6532 1 10 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.209 0.365 19699 6533 1 10 . 1 1 78 78 HIS CB C 78 29.895 29.895 27.407 2.489 19699 6534 1 10 . 1 1 78 78 HIS H H 78 8.469 8.469 8.152 0.317 19699 6535 1 10 . 1 1 80 80 LEU C C 80 177.711 177.711 175.819 1.892 19699 6536 1 10 . 1 1 81 81 ARG N N 81 119.707 119.707 120.873 -1.166 19699 6537 1 10 . 1 1 81 81 ARG C C 81 177.060 177.060 175.948 1.112 19699 6538 1 10 . 1 1 81 81 ARG H H 81 8.368 8.368 8.415 -0.047 19699 6539 1 10 . 1 1 82 82 THR N N 82 114.163 114.163 111.703 2.460 19699 6540 1 10 . 1 1 82 82 THR C C 82 174.712 174.712 174.977 -0.265 19699 6541 1 10 . 1 1 82 82 THR CA C 82 62.533 62.533 62.154 0.379 19699 6542 1 10 . 1 1 82 82 THR H H 82 7.936 7.936 8.371 -0.435 19699 6543 1 10 . 1 1 83 83 LYS N N 83 121.875 121.875 122.649 -0.774 19699 6544 1 10 . 1 1 83 83 LYS C C 83 175.855 175.855 175.827 0.028 19699 6545 1 10 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.414 0.286 19699 6546 1 10 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.639 -1.317 19699 6547 1 10 . 1 1 83 83 LYS H H 83 8.092 8.092 7.781 0.311 19699 6548 1 10 . 1 1 84 84 ASN N N 84 118.272 118.272 118.962 -0.690 19699 6549 1 10 . 1 1 84 84 ASN C C 84 176.216 176.216 175.172 1.044 19699 6550 1 10 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.905 -0.303 19699 6551 1 10 . 1 1 84 84 ASN CB C 84 38.706 38.706 39.586 -0.880 19699 6552 1 10 . 1 1 84 84 ASN H H 84 8.163 8.163 8.546 -0.383 19699 6553 1 10 . 1 1 85 85 LEU N N 85 123.394 123.394 120.462 2.932 19699 6554 1 10 . 1 1 85 85 LEU C C 85 176.987 176.987 177.041 -0.054 19699 6555 1 10 . 1 1 85 85 LEU CA C 85 54.266 54.266 53.234 1.032 19699 6556 1 10 . 1 1 85 85 LEU CB C 85 40.497 40.497 44.328 -3.831 19699 6557 1 10 . 1 1 85 85 LEU H H 85 8.382 8.382 8.207 0.175 19699 6558 1 10 . 1 1 86 86 LEU N N 86 122.330 122.330 120.762 1.568 19699 6559 1 10 . 1 1 86 86 LEU C C 86 175.867 175.867 176.318 -0.451 19699 6560 1 10 . 1 1 86 86 LEU CA C 86 54.615 54.615 55.145 -0.530 19699 6561 1 10 . 1 1 86 86 LEU CB C 86 42.488 42.488 41.812 0.675 19699 6562 1 10 . 1 1 86 86 LEU H H 86 8.350 8.350 8.495 -0.145 19699 6563 1 10 . 1 1 87 87 LYS N N 87 121.964 121.964 122.112 -0.148 19699 6564 1 10 . 1 1 87 87 LYS C C 87 179.215 179.215 178.179 1.036 19699 6565 1 10 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.686 -0.273 19699 6566 1 10 . 1 1 87 87 LYS CB C 87 35.919 35.919 35.303 0.616 19699 6567 1 10 . 1 1 87 87 LYS H H 87 9.560 9.560 8.759 0.801 19699 6568 1 10 . 1 1 88 88 VAL N N 88 124.714 124.714 121.099 3.615 19699 6569 1 10 . 1 1 88 88 VAL C C 88 181.289 181.289 178.032 3.257 19699 6570 1 10 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.271 0.460 19699 6571 1 10 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.685 -1.589 19699 6572 1 10 . 1 1 88 88 VAL H H 88 8.331 8.331 8.850 -0.519 19699 6573 1 10 . 1 1 89 89 LYS N N 89 119.721 119.721 117.305 2.416 19699 6574 1 10 . 1 1 89 89 LYS C C 89 176.988 176.988 176.458 0.530 19699 6575 1 10 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.828 -4.095 19699 6576 1 10 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.317 -0.880 19699 6577 1 10 . 1 1 89 89 LYS H H 89 8.356 8.356 8.258 0.098 19699 6578 1 10 . 1 1 90 90 ASP N N 90 117.057 117.057 117.469 -0.412 19699 6579 1 10 . 1 1 90 90 ASP C C 90 174.938 174.938 175.917 -0.979 19699 6580 1 10 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.365 0.357 19699 6581 1 10 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.812 0.773 19699 6582 1 10 . 1 1 90 90 ASP H H 90 7.613 7.613 7.861 -0.248 19699 6583 1 10 . 1 1 91 91 GLY N N 91 104.457 104.457 106.126 -1.669 19699 6584 1 10 . 1 1 91 91 GLY C C 91 172.136 172.136 173.560 -1.424 19699 6585 1 10 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.260 -0.782 19699 6586 1 10 . 1 1 91 91 GLY H H 91 8.078 8.078 8.161 -0.083 19699 6587 1 10 . 1 1 92 92 PHE N N 92 117.903 117.903 120.058 -2.155 19699 6588 1 10 . 1 1 92 92 PHE C C 92 173.925 173.925 174.368 -0.443 19699 6589 1 10 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.843 -0.070 19699 6590 1 10 . 1 1 92 92 PHE CB C 92 42.583 42.583 40.631 1.952 19699 6591 1 10 . 1 1 92 92 PHE H H 92 7.038 7.038 7.602 -0.564 19699 6592 1 10 . 1 1 93 93 GLN N N 93 123.497 123.497 124.501 -1.004 19699 6593 1 10 . 1 1 93 93 GLN C C 93 173.550 173.550 174.035 -0.485 19699 6594 1 10 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.337 -0.586 19699 6595 1 10 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.627 1.266 19699 6596 1 10 . 1 1 93 93 GLN H H 93 8.716 8.716 8.645 0.071 19699 6597 1 10 . 1 1 94 94 VAL N N 94 130.740 130.740 129.011 1.729 19699 6598 1 10 . 1 1 94 94 VAL C C 94 176.502 176.502 175.312 1.190 19699 6599 1 10 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.329 0.202 19699 6600 1 10 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.018 -0.871 19699 6601 1 10 . 1 1 94 94 VAL H H 94 9.180 9.180 8.717 0.463 19699 6602 1 10 . 1 1 95 95 ASP N N 95 128.925 128.925 127.234 1.691 19699 6603 1 10 . 1 1 95 95 ASP C C 95 175.655 175.655 175.928 -0.273 19699 6604 1 10 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.498 -0.196 19699 6605 1 10 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.971 -1.871 19699 6606 1 10 . 1 1 95 95 ASP H H 95 8.397 8.397 8.580 -0.183 19699 6607 1 10 . 1 1 96 96 ASN N N 96 126.934 126.934 124.047 2.887 19699 6608 1 10 . 1 1 96 96 ASN C C 96 176.193 176.193 174.873 1.320 19699 6609 1 10 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.166 -0.464 19699 6610 1 10 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.438 0.346 19699 6611 1 10 . 1 1 96 96 ASN H H 96 8.367 8.367 8.545 -0.178 19699 6612 1 10 . 1 1 97 97 SER N N 97 117.606 117.606 115.809 1.797 19699 6613 1 10 . 1 1 97 97 SER C C 97 176.522 176.522 174.834 1.688 19699 6614 1 10 . 1 1 97 97 SER CA C 97 58.237 58.237 57.003 1.234 19699 6615 1 10 . 1 1 97 97 SER CB C 97 63.473 63.473 64.873 -1.399 19699 6616 1 10 . 1 1 97 97 SER H H 97 8.645 8.645 8.733 -0.088 19699 6617 1 10 . 1 1 98 98 THR N N 98 115.391 115.391 117.505 -2.114 19699 6618 1 10 . 1 1 98 98 THR C C 98 175.591 175.591 175.305 0.286 19699 6619 1 10 . 1 1 98 98 THR CA C 98 61.477 61.477 62.905 -1.428 19699 6620 1 10 . 1 1 98 98 THR CB C 98 68.670 68.670 68.826 -0.156 19699 6621 1 10 . 1 1 98 98 THR H H 98 8.722 8.722 8.913 -0.191 19699 6622 1 10 . 1 1 99 99 ASP N N 99 120.196 120.196 121.082 -0.886 19699 6623 1 10 . 1 1 99 99 ASP C C 99 176.485 176.485 177.311 -0.826 19699 6624 1 10 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.550 -1.373 19699 6625 1 10 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.269 0.987 19699 6626 1 10 . 1 1 99 99 ASP H H 99 8.326 8.326 8.144 0.182 19699 6627 1 10 . 1 1 100 100 ASN N N 100 118.377 118.377 118.086 0.291 19699 6628 1 10 . 1 1 100 100 ASN C C 100 176.916 176.916 176.648 0.268 19699 6629 1 10 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.456 -1.688 19699 6630 1 10 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.105 -1.157 19699 6631 1 10 . 1 1 100 100 ASN H H 100 7.905 7.905 8.000 -0.095 19699 6632 1 10 . 1 1 101 101 GLY N N 101 110.470 110.470 104.770 5.700 19699 6633 1 10 . 1 1 101 101 GLY C C 101 173.824 173.824 174.812 -0.988 19699 6634 1 10 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.416 0.042 19699 6635 1 10 . 1 1 101 101 GLY H H 101 8.450 8.450 8.637 -0.187 19699 6636 1 10 . 1 1 102 102 ASN N N 102 121.816 121.816 119.367 2.449 19699 6637 1 10 . 1 1 102 102 ASN C C 102 174.402 174.402 175.208 -0.806 19699 6638 1 10 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.013 -0.567 19699 6639 1 10 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.315 2.179 19699 6640 1 10 . 1 1 102 102 ASN H H 102 8.707 8.707 8.322 0.385 19699 6641 1 10 . 1 1 103 103 GLY N N 103 108.784 108.784 106.727 2.057 19699 6642 1 10 . 1 1 103 103 GLY C C 103 174.814 174.814 174.072 0.742 19699 6643 1 10 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.559 1.647 19699 6644 1 10 . 1 1 103 103 GLY H H 103 7.977 7.977 7.824 0.153 19699 6645 1 10 . 1 1 104 104 GLY N N 104 114.736 114.736 113.890 0.846 19699 6646 1 10 . 1 1 104 104 GLY C C 104 174.470 174.470 174.191 0.279 19699 6647 1 10 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.969 0.305 19699 6648 1 10 . 1 1 104 104 GLY H H 104 8.589 8.589 8.637 -0.048 19699 6649 1 10 . 1 1 105 105 ASN N N 105 120.001 120.001 119.942 0.059 19699 6650 1 10 . 1 1 105 105 ASN C C 105 171.914 171.914 173.151 -1.237 19699 6651 1 10 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.062 -1.010 19699 6652 1 10 . 1 1 105 105 ASN CB C 105 36.579 36.579 40.592 -4.013 19699 6653 1 10 . 1 1 105 105 ASN H H 105 7.561 7.561 8.148 -0.587 19699 6654 1 10 . 1 1 106 106 LEU N N 106 122.396 122.396 122.534 -0.138 19699 6655 1 10 . 1 1 106 106 LEU C C 106 175.196 175.196 174.713 0.483 19699 6656 1 10 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.262 -0.305 19699 6657 1 10 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.078 -1.337 19699 6658 1 10 . 1 1 106 106 LEU H H 106 7.775 7.775 7.513 0.262 19699 6659 1 10 . 1 1 107 107 TYR N N 107 123.722 123.722 126.257 -2.535 19699 6660 1 10 . 1 1 107 107 TYR C C 107 175.955 175.955 175.891 0.064 19699 6661 1 10 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.050 -1.171 19699 6662 1 10 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.189 0.373 19699 6663 1 10 . 1 1 107 107 TYR H H 107 9.210 9.210 9.119 0.091 19699 6664 1 10 . 1 1 108 108 VAL N N 108 121.472 121.472 123.152 -1.680 19699 6665 1 10 . 1 1 108 108 VAL C C 108 177.065 177.065 175.027 2.038 19699 6666 1 10 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.641 -0.606 19699 6667 1 10 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.187 -1.146 19699 6668 1 10 . 1 1 108 108 VAL H H 108 8.991 8.991 8.726 0.265 19699 6669 1 10 . 1 1 109 109 TYR N N 109 129.064 129.064 127.070 1.994 19699 6670 1 10 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.227 0.960 19699 6671 1 10 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.601 -1.378 19699 6672 1 10 . 1 1 109 109 TYR H H 109 9.242 9.242 8.316 0.926 19699 6673 1 10 . 1 1 110 110 PRO C C 110 176.067 176.067 177.077 -1.010 19699 6674 1 10 . 1 1 111 111 ASN N N 111 112.749 112.749 114.526 -1.777 19699 6675 1 10 . 1 1 111 111 ASN C C 111 175.296 175.296 175.152 0.144 19699 6676 1 10 . 1 1 111 111 ASN CA C 111 52.972 52.972 54.071 -1.099 19699 6677 1 10 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.039 -1.534 19699 6678 1 10 . 1 1 111 111 ASN H H 111 8.031 8.031 8.453 -0.422 19699 6679 1 10 . 1 1 112 112 ALA N N 112 124.990 124.990 123.218 1.772 19699 6680 1 10 . 1 1 112 112 ALA C C 112 178.295 178.295 176.842 1.453 19699 6681 1 10 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.980 0.231 19699 6682 1 10 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.584 -0.894 19699 6683 1 10 . 1 1 112 112 ALA H H 112 7.678 7.678 7.551 0.127 19699 6684 1 10 . 1 1 113 113 THR N N 113 116.898 116.898 117.020 -0.122 19699 6685 1 10 . 1 1 113 113 THR C C 113 175.601 175.601 176.070 -0.469 19699 6686 1 10 . 1 1 113 113 THR CA C 113 63.391 63.391 63.238 0.153 19699 6687 1 10 . 1 1 113 113 THR CB C 113 69.220 69.220 69.741 -0.521 19699 6688 1 10 . 1 1 113 113 THR H H 113 8.530 8.530 8.331 0.199 19699 6689 1 10 . 1 1 114 114 THR N N 114 122.908 122.908 122.294 0.614 19699 6690 1 10 . 1 1 114 114 THR C C 114 175.178 175.178 176.769 -1.591 19699 6691 1 10 . 1 1 114 114 THR CA C 114 63.941 63.941 67.566 -3.624 19699 6692 1 10 . 1 1 114 114 THR CB C 114 68.628 68.628 68.652 -0.024 19699 6693 1 10 . 1 1 114 114 THR H H 114 8.530 8.530 8.674 -0.144 19699 6694 1 10 . 1 1 115 115 GLY N N 115 114.662 114.662 109.373 5.289 19699 6695 1 10 . 1 1 115 115 GLY C C 115 175.853 175.853 176.503 -0.650 19699 6696 1 10 . 1 1 115 115 GLY CA C 115 45.060 45.060 47.164 -2.104 19699 6697 1 10 . 1 1 115 115 GLY H H 115 8.822 8.822 8.362 0.460 19699 6698 1 10 . 1 1 116 116 SER N N 116 118.029 118.029 119.108 -1.079 19699 6699 1 10 . 1 1 116 116 SER C C 116 176.740 176.740 177.306 -0.566 19699 6700 1 10 . 1 1 116 116 SER CA C 116 61.370 61.370 61.023 0.347 19699 6701 1 10 . 1 1 116 116 SER CB C 116 62.652 62.652 63.203 -0.551 19699 6702 1 10 . 1 1 116 116 SER H H 116 8.138 8.138 8.255 -0.117 19699 6703 1 10 . 1 1 117 117 ALA N N 117 124.981 124.981 124.812 0.169 19699 6704 1 10 . 1 1 117 117 ALA C C 117 178.629 178.629 179.846 -1.217 19699 6705 1 10 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.135 -0.405 19699 6706 1 10 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.154 -0.862 19699 6707 1 10 . 1 1 117 117 ALA H H 117 8.787 8.787 8.282 0.505 19699 6708 1 10 . 1 1 118 118 ASP N N 118 115.338 115.338 116.791 -1.453 19699 6709 1 10 . 1 1 118 118 ASP C C 118 176.339 176.339 177.413 -1.074 19699 6710 1 10 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.600 -1.353 19699 6711 1 10 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.615 -0.361 19699 6712 1 10 . 1 1 118 118 ASP H H 118 7.937 7.937 8.179 -0.242 19699 6713 1 10 . 1 1 119 119 SER N N 119 115.239 115.239 113.728 1.511 19699 6714 1 10 . 1 1 119 119 SER C C 119 173.992 173.992 174.355 -0.363 19699 6715 1 10 . 1 1 119 119 SER CA C 119 57.490 57.490 58.214 -0.724 19699 6716 1 10 . 1 1 119 119 SER CB C 119 64.406 64.406 63.027 1.379 19699 6717 1 10 . 1 1 119 119 SER H H 119 7.831 7.831 7.475 0.356 19699 6718 1 10 . 1 1 120 120 VAL N N 120 124.259 124.259 124.949 -0.690 19699 6719 1 10 . 1 1 120 120 VAL C C 120 175.395 175.395 176.012 -0.617 19699 6720 1 10 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.818 -1.686 19699 6721 1 10 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.184 -0.891 19699 6722 1 10 . 1 1 120 120 VAL H H 120 7.360 7.360 7.336 0.024 19699 6723 1 10 . 1 1 121 121 ARG N N 121 129.213 129.213 124.865 4.348 19699 6724 1 10 . 1 1 121 121 ARG C C 121 174.280 174.280 174.099 0.181 19699 6725 1 10 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.685 2.338 19699 6726 1 10 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.476 -1.173 19699 6727 1 10 . 1 1 121 121 ARG H H 121 9.752 9.752 9.019 0.733 19699 6728 1 10 . 1 1 122 122 CYS N N 122 119.036 119.036 121.927 -2.891 19699 6729 1 10 . 1 1 122 122 CYS C C 122 174.282 174.282 173.356 0.926 19699 6730 1 10 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.299 -2.490 19699 6731 1 10 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.712 18.551 19699 6732 1 10 . 1 1 122 122 CYS H H 122 8.568 8.568 8.517 0.051 19699 6733 1 10 . 1 1 123 123 ARG N N 123 124.532 124.532 129.717 -5.185 19699 6734 1 10 . 1 1 123 123 ARG C C 123 175.100 175.100 174.237 0.863 19699 6735 1 10 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.341 -0.183 19699 6736 1 10 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.663 -1.753 19699 6737 1 10 . 1 1 123 123 ARG H H 123 9.099 9.099 8.668 0.431 19699 6738 1 10 . 1 1 124 124 LEU N N 124 132.168 132.168 127.909 4.259 19699 6739 1 10 . 1 1 124 124 LEU C C 124 173.758 173.758 174.537 -0.779 19699 6740 1 10 . 1 1 124 124 LEU H H 124 10.076 10.076 9.203 0.873 19699 6741 1 10 . 1 1 125 125 ARG N N 125 128.271 128.271 128.915 -0.644 19699 6742 1 10 . 1 1 125 125 ARG C C 125 175.505 175.505 174.532 0.973 19699 6743 1 10 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.123 -0.522 19699 6744 1 10 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.233 -1.434 19699 6745 1 10 . 1 1 125 125 ARG H H 125 9.086 9.086 9.114 -0.028 19699 6746 1 10 . 1 1 126 126 MET N N 126 108.020 108.020 128.507 -20.487 19699 6747 1 10 . 1 1 126 126 MET C C 126 174.911 174.911 174.102 0.809 19699 6748 1 10 . 1 1 126 126 MET CA C 126 54.118 54.118 54.680 -0.562 19699 6749 1 10 . 1 1 126 126 MET CB C 126 33.459 33.459 35.044 -1.585 19699 6750 1 10 . 1 1 126 126 MET H H 126 9.003 9.003 9.011 -0.008 19699 6751 1 10 . 1 1 127 127 CYS N N 127 126.794 126.794 127.017 -0.223 19699 6752 1 10 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.865 -3.680 19699 6753 1 10 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.377 19.885 19699 6754 1 10 . 1 1 127 127 CYS H H 127 8.849 8.849 9.124 -0.275 19699 6755 1 10 . 1 1 128 128 PRO C C 128 174.880 174.880 175.770 -0.890 19699 6756 1 10 . 1 1 129 129 TRP N N 129 118.064 118.064 117.583 0.481 19699 6757 1 10 . 1 1 129 129 TRP C C 129 173.252 173.252 174.216 -0.964 19699 6758 1 10 . 1 1 129 129 TRP CA C 129 55.336 55.336 54.905 0.431 19699 6759 1 10 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.688 -0.642 19699 6760 1 10 . 1 1 129 129 TRP H H 129 7.775 7.775 8.181 -0.406 19699 6761 1 10 . 1 1 130 130 THR N N 130 112.900 112.900 112.935 -0.035 19699 6762 1 10 . 1 1 130 130 THR C C 130 172.690 172.690 174.148 -1.458 19699 6763 1 10 . 1 1 130 130 THR CA C 130 58.923 58.923 59.989 -1.066 19699 6764 1 10 . 1 1 130 130 THR CB C 130 69.380 69.380 70.676 -1.296 19699 6765 1 10 . 1 1 130 130 THR H H 130 8.810 8.810 8.564 0.246 19699 6766 1 10 . 1 1 131 131 SER N N 131 122.448 122.448 117.072 5.376 19699 6767 1 10 . 1 1 131 131 SER C C 131 174.399 174.399 174.213 0.186 19699 6768 1 10 . 1 1 131 131 SER CA C 131 58.582 58.582 58.151 0.431 19699 6769 1 10 . 1 1 131 131 SER CB C 131 63.356 63.356 63.943 -0.587 19699 6770 1 10 . 1 1 131 131 SER H H 131 8.898 8.898 8.763 0.135 19699 6771 1 10 . 1 1 132 132 ASN N N 132 124.196 124.196 121.850 2.346 19699 6772 1 10 . 1 1 132 132 ASN C C 132 175.577 175.577 175.988 -0.411 19699 6773 1 10 . 1 1 132 132 ASN CA C 132 52.167 52.167 52.033 0.134 19699 6774 1 10 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.838 -0.767 19699 6775 1 10 . 1 1 132 132 ASN H H 132 8.785 8.785 7.536 1.249 19699 6776 1 10 . 1 1 133 133 SER N N 133 120.691 120.691 123.146 -2.455 19699 6777 1 10 . 1 1 133 133 SER C C 133 174.574 174.574 175.357 -0.783 19699 6778 1 10 . 1 1 133 133 SER CA C 133 59.820 59.820 59.997 -0.177 19699 6779 1 10 . 1 1 133 133 SER CB C 133 62.342 62.342 62.883 -0.541 19699 6780 1 10 . 1 1 133 133 SER H H 133 8.580 8.580 8.560 0.020 19699 6781 1 10 . 1 1 134 134 LYS N N 134 119.450 119.450 119.547 -0.097 19699 6782 1 10 . 1 1 134 134 LYS C C 134 176.698 176.698 176.799 -0.101 19699 6783 1 10 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.776 -1.089 19699 6784 1 10 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.678 -1.318 19699 6785 1 10 . 1 1 134 134 LYS H H 134 7.904 7.904 8.101 -0.197 19699 6786 1 10 . 1 1 135 135 MET N N 135 121.695 121.695 119.104 2.591 19699 6787 1 10 . 1 1 135 135 MET C C 135 175.354 175.354 175.976 -0.622 19699 6788 1 10 . 1 1 135 135 MET CA C 135 55.498 55.498 55.692 -0.194 19699 6789 1 10 . 1 1 135 135 MET CB C 135 33.295 33.295 33.228 0.067 19699 6790 1 10 . 1 1 135 135 MET H H 135 7.343 7.343 7.482 -0.139 19699 6791 1 10 . 1 1 136 136 THR N N 136 114.220 114.220 112.245 1.975 19699 6792 1 10 . 1 1 136 136 THR C C 136 173.806 173.806 173.282 0.524 19699 6793 1 10 . 1 1 136 136 THR CA C 136 61.228 61.228 61.160 0.068 19699 6794 1 10 . 1 1 136 136 THR CB C 136 69.201 69.201 69.849 -0.648 19699 6795 1 10 . 1 1 136 136 THR H H 136 8.633 8.633 8.442 0.191 19699 6796 1 10 . 1 1 137 137 ALA N N 137 125.205 125.205 122.391 2.814 19699 6797 1 10 . 1 1 137 137 ALA C C 137 173.600 173.600 174.527 -0.927 19699 6798 1 10 . 1 1 137 137 ALA CA C 137 49.842 49.842 49.990 -0.148 19699 6799 1 10 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.616 -1.488 19699 6800 1 10 . 1 1 137 137 ALA H H 137 7.637 7.637 7.440 0.197 19699 6801 1 10 . 1 1 138 138 PRO C C 138 175.117 175.117 175.745 -0.628 19699 6802 1 10 . 1 1 139 139 ASP N N 139 121.528 121.528 120.983 0.545 19699 6803 1 10 . 1 1 139 139 ASP C C 139 174.966 174.966 177.016 -2.050 19699 6804 1 10 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.041 -0.464 19699 6805 1 10 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.443 -0.700 19699 6806 1 10 . 1 1 139 139 ASP H H 139 7.299 7.299 8.029 -0.730 19699 6807 1 10 . 1 1 140 140 GLU N N 140 118.631 118.631 119.835 -1.204 19699 6808 1 10 . 1 1 140 140 GLU C C 140 178.914 178.914 178.419 0.495 19699 6809 1 10 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.490 -0.684 19699 6810 1 10 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.675 -1.157 19699 6811 1 10 . 1 1 140 140 GLU H H 140 8.524 8.524 8.662 -0.138 19699 6812 1 10 . 1 1 141 141 GLU N N 141 119.900 119.900 119.175 0.725 19699 6813 1 10 . 1 1 141 141 GLU C C 141 178.162 178.162 178.986 -0.824 19699 6814 1 10 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.354 -0.705 19699 6815 1 10 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.279 -0.872 19699 6816 1 10 . 1 1 141 141 GLU H H 141 8.116 8.116 8.463 -0.347 19699 6817 1 10 . 1 1 142 142 MET N N 142 121.303 121.303 118.677 2.626 19699 6818 1 10 . 1 1 142 142 MET C C 142 178.689 178.689 178.934 -0.245 19699 6819 1 10 . 1 1 142 142 MET CA C 142 59.370 59.370 59.372 -0.002 19699 6820 1 10 . 1 1 142 142 MET CB C 142 33.252 33.252 32.733 0.519 19699 6821 1 10 . 1 1 142 142 MET H H 142 7.989 7.989 8.978 -0.989 19699 6822 1 10 . 1 1 143 143 LEU N N 143 117.901 117.901 119.398 -1.497 19699 6823 1 10 . 1 1 143 143 LEU C C 143 180.619 180.619 178.488 2.131 19699 6824 1 10 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.655 0.158 19699 6825 1 10 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.572 -1.303 19699 6826 1 10 . 1 1 143 143 LEU H H 143 8.485 8.485 8.338 0.147 19699 6827 1 10 . 1 1 144 144 ARG N N 144 120.175 120.175 117.207 2.968 19699 6828 1 10 . 1 1 144 144 ARG C C 144 180.648 180.648 178.890 1.758 19699 6829 1 10 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.673 -0.423 19699 6830 1 10 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.249 -1.324 19699 6831 1 10 . 1 1 144 144 ARG H H 144 7.900 7.900 8.277 -0.377 19699 6832 1 10 . 1 1 145 145 LYS N N 145 119.936 119.936 119.081 0.855 19699 6833 1 10 . 1 1 145 145 LYS C C 145 178.813 178.813 178.173 0.640 19699 6834 1 10 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.125 -0.501 19699 6835 1 10 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.527 -0.464 19699 6836 1 10 . 1 1 145 145 LYS H H 145 7.850 7.850 8.000 -0.150 19699 6837 1 10 . 1 1 146 146 MET N N 146 115.986 115.986 116.658 -0.672 19699 6838 1 10 . 1 1 146 146 MET C C 146 176.094 176.094 176.645 -0.551 19699 6839 1 10 . 1 1 146 146 MET CA C 146 55.267 55.267 55.878 -0.611 19699 6840 1 10 . 1 1 146 146 MET CB C 146 32.898 32.898 32.655 0.243 19699 6841 1 10 . 1 1 146 146 MET H H 146 7.776 7.776 8.205 -0.429 19699 6842 1 10 . 1 1 147 147 SER N N 147 119.679 119.679 116.511 3.168 19699 6843 1 10 . 1 1 147 147 SER C C 147 175.114 175.114 176.081 -0.967 19699 6844 1 10 . 1 1 147 147 SER CA C 147 62.736 62.736 62.087 0.649 19699 6845 1 10 . 1 1 147 147 SER CB C 147 62.105 62.105 63.178 -1.073 19699 6846 1 10 . 1 1 147 147 SER H H 147 7.430 7.430 7.798 -0.368 19699 6847 1 10 . 1 1 148 148 GLU N N 148 117.968 117.968 121.671 -3.703 19699 6848 1 10 . 1 1 148 148 GLU C C 148 179.313 179.313 177.532 1.781 19699 6849 1 10 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.667 0.408 19699 6850 1 10 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.353 0.185 19699 6851 1 10 . 1 1 148 148 GLU H H 148 9.216 9.216 8.395 0.821 19699 6852 1 10 . 1 1 149 149 VAL N N 149 115.349 115.349 118.209 -2.860 19699 6853 1 10 . 1 1 149 149 VAL C C 149 176.790 176.790 177.895 -1.105 19699 6854 1 10 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.879 -1.015 19699 6855 1 10 . 1 1 149 149 VAL H H 149 7.325 7.325 7.612 -0.287 19699 6856 1 10 . 1 1 150 150 LEU N N 150 119.724 119.724 120.756 -1.032 19699 6857 1 10 . 1 1 150 150 LEU C C 150 178.010 178.010 178.128 -0.118 19699 6858 1 10 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.627 -0.418 19699 6859 1 10 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.365 -1.940 19699 6860 1 10 . 1 1 150 150 LEU H H 150 7.387 7.387 8.187 -0.799 19699 6861 1 10 . 1 1 151 151 ASN N N 151 112.853 112.853 115.081 -2.228 19699 6862 1 10 . 1 1 151 151 ASN C C 151 176.682 176.682 175.490 1.192 19699 6863 1 10 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.324 -0.234 19699 6864 1 10 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.569 -0.273 19699 6865 1 10 . 1 1 151 151 ASN H H 151 7.593 7.593 7.832 -0.239 19699 6866 1 10 . 1 1 152 152 LEU N N 152 122.057 122.057 122.424 -0.367 19699 6867 1 10 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.925 0.528 19699 6868 1 10 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.423 -1.835 19699 6869 1 10 . 1 1 152 152 LEU H H 152 7.193 7.193 7.627 -0.434 19699 6870 1 10 . 1 1 153 153 PRO C C 153 177.670 177.670 175.522 2.148 19699 6871 1 10 . 1 1 154 154 ASN N N 154 121.894 121.894 119.617 2.277 19699 6872 1 10 . 1 1 154 154 ASN C C 154 176.786 176.786 175.151 1.635 19699 6873 1 10 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.644 -0.887 19699 6874 1 10 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.304 -1.475 19699 6875 1 10 . 1 1 154 154 ASN H H 154 8.824 8.824 8.570 0.254 19699 6876 1 10 . 1 1 155 155 TYR N N 155 124.386 124.386 126.108 -1.722 19699 6877 1 10 . 1 1 155 155 TYR C C 155 173.048 173.048 173.431 -0.383 19699 6878 1 10 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.353 -2.631 19699 6879 1 10 . 1 1 155 155 TYR CB C 155 39.711 39.711 40.846 -1.135 19699 6880 1 10 . 1 1 155 155 TYR H H 155 8.245 8.245 8.654 -0.409 19699 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 141 3.213 -0.160 3.220 19699 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19699 3 1 1 "Average Difference" C 143 1.111 0.095 1.111 19699 4 1 1 "Average Difference" CA 136 1.218 0.490 1.119 19699 5 1 1 "Average Difference" CB 127 3.702 0.192 3.712 19699 6 1 1 "Average Difference" HN 141 0.493 0.017 0.494 19699 7 1 2 "Average Difference" N 141 3.203 -0.111 3.213 19699 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19699 9 1 2 "Average Difference" C 143 1.083 0.100 1.082 19699 10 1 2 "Average Difference" CA 136 1.219 0.518 1.108 19699 11 1 2 "Average Difference" CB 127 3.679 0.243 3.686 19699 12 1 2 "Average Difference" HN 141 0.507 0.039 0.507 19699 13 1 3 "Average Difference" N 141 3.376 0.019 3.388 19699 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19699 15 1 3 "Average Difference" C 143 1.079 0.059 1.081 19699 16 1 3 "Average Difference" CA 136 1.241 0.484 1.147 19699 17 1 3 "Average Difference" CB 127 3.727 0.134 3.740 19699 18 1 3 "Average Difference" HN 141 0.485 0.009 0.486 19699 19 1 4 "Average Difference" N 141 3.250 -0.242 3.253 19699 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19699 21 1 4 "Average Difference" C 143 1.087 0.070 1.089 19699 22 1 4 "Average Difference" CA 136 1.323 0.458 1.246 19699 23 1 4 "Average Difference" CB 127 3.728 0.231 3.735 19699 24 1 4 "Average Difference" HN 141 0.472 0.038 0.472 19699 25 1 5 "Average Difference" N 141 3.252 -0.156 3.260 19699 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19699 27 1 5 "Average Difference" C 143 1.118 0.090 1.118 19699 28 1 5 "Average Difference" CA 136 1.245 0.469 1.158 19699 29 1 5 "Average Difference" CB 127 3.766 0.188 3.776 19699 30 1 5 "Average Difference" HN 141 0.476 0.007 0.477 19699 31 1 6 "Average Difference" N 141 3.476 -0.247 3.480 19699 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19699 33 1 6 "Average Difference" C 143 1.169 0.032 1.173 19699 34 1 6 "Average Difference" CA 136 1.274 0.392 1.217 19699 35 1 6 "Average Difference" CB 127 3.760 0.309 3.762 19699 36 1 6 "Average Difference" HN 141 0.488 0.001 0.490 19699 37 1 7 "Average Difference" N 141 3.400 -0.112 3.410 19699 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19699 39 1 7 "Average Difference" C 143 1.091 0.063 1.093 19699 40 1 7 "Average Difference" CA 136 1.340 0.465 1.262 19699 41 1 7 "Average Difference" CB 127 3.722 0.201 3.732 19699 42 1 7 "Average Difference" HN 141 0.476 0.039 0.476 19699 43 1 8 "Average Difference" N 141 3.188 -0.189 3.193 19699 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19699 45 1 8 "Average Difference" C 143 1.087 0.099 1.087 19699 46 1 8 "Average Difference" CA 136 1.207 0.495 1.105 19699 47 1 8 "Average Difference" CB 127 3.676 0.250 3.682 19699 48 1 8 "Average Difference" HN 141 0.501 0.028 0.502 19699 49 1 9 "Average Difference" N 141 3.215 -0.143 3.224 19699 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19699 51 1 9 "Average Difference" C 143 1.060 0.068 1.061 19699 52 1 9 "Average Difference" CA 136 1.323 0.488 1.234 19699 53 1 9 "Average Difference" CB 127 3.577 0.211 3.585 19699 54 1 9 "Average Difference" HN 141 0.482 0.018 0.483 19699 55 1 10 "Average Difference" N 141 3.336 -0.188 3.342 19699 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19699 57 1 10 "Average Difference" C 143 1.071 0.052 1.073 19699 58 1 10 "Average Difference" CA 136 1.323 0.466 1.243 19699 59 1 10 "Average Difference" CB 127 3.732 0.242 3.738 19699 60 1 10 "Average Difference" HN 141 0.467 0.038 0.467 19699 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 19699 _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 HIS N N 2 122.591 122.591 121.753 0.838 19699 2 1 . 1 1 2 2 HIS C C 2 174.514 174.514 174.692 -0.178 19699 3 1 . 1 1 2 2 HIS CA C 2 54.301 54.301 55.098 -0.797 19699 4 1 . 1 1 2 2 HIS CB C 2 28.454 28.454 30.618 -2.164 19699 5 1 . 1 1 2 2 HIS H H 2 8.695 8.695 8.917 -0.222 19699 6 1 . 1 1 3 3 SER N N 3 120.223 120.223 119.255 0.969 19699 7 1 . 1 1 3 3 SER C C 3 175.623 175.623 174.758 0.865 19699 8 1 . 1 1 3 3 SER CA C 3 58.703 58.703 58.577 0.126 19699 9 1 . 1 1 3 3 SER CB C 3 63.275 63.275 63.760 -0.485 19699 10 1 . 1 1 3 3 SER H H 3 8.797 8.797 8.707 0.090 19699 11 1 . 1 1 4 4 LEU N N 4 126.300 126.300 127.006 -0.706 19699 12 1 . 1 1 4 4 LEU C C 4 175.677 175.677 176.211 -0.534 19699 13 1 . 1 1 4 4 LEU CA C 4 53.049 53.049 53.577 -0.528 19699 14 1 . 1 1 4 4 LEU CB C 4 41.607 41.607 41.516 0.091 19699 15 1 . 1 1 4 4 LEU H H 4 8.332 8.332 8.307 0.025 19699 16 1 . 1 1 5 5 GLY N N 5 108.289 108.289 107.218 1.071 19699 17 1 . 1 1 5 5 GLY C C 5 171.743 171.743 172.357 -0.614 19699 18 1 . 1 1 5 5 GLY CA C 5 43.650 43.650 44.151 -0.501 19699 19 1 . 1 1 5 5 GLY H H 5 7.737 7.737 7.574 0.163 19699 20 1 . 1 1 6 6 CYS N N 6 112.366 112.366 120.718 -8.352 19699 21 1 . 1 1 6 6 CYS C C 6 172.715 172.715 173.920 -1.205 19699 22 1 . 1 1 6 6 CYS CA C 6 54.724 54.724 57.667 -2.944 19699 23 1 . 1 1 6 6 CYS CB C 6 48.588 48.588 29.382 19.206 19699 24 1 . 1 1 6 6 CYS H H 6 7.688 7.688 7.978 -0.290 19699 25 1 . 1 1 7 7 TYR N N 7 122.399 122.399 120.627 1.772 19699 26 1 . 1 1 7 7 TYR C C 7 174.024 174.024 174.390 -0.366 19699 27 1 . 1 1 7 7 TYR CA C 7 56.653 56.653 56.079 0.574 19699 28 1 . 1 1 7 7 TYR CB C 7 39.522 39.522 41.559 -2.036 19699 29 1 . 1 1 7 7 TYR H H 7 8.733 8.733 9.011 -0.278 19699 30 1 . 1 1 8 8 PHE N N 8 123.806 123.806 121.927 1.879 19699 31 1 . 1 1 8 8 PHE C C 8 175.708 175.708 175.594 0.114 19699 32 1 . 1 1 8 8 PHE CA C 8 56.708 56.708 56.784 -0.077 19699 33 1 . 1 1 8 8 PHE CB C 8 39.575 39.575 41.010 -1.435 19699 34 1 . 1 1 8 8 PHE H H 8 9.088 9.088 8.969 0.119 19699 35 1 . 1 1 9 9 LYS N N 9 121.663 121.663 123.412 -1.750 19699 36 1 . 1 1 9 9 LYS C C 9 176.024 176.024 175.567 0.457 19699 37 1 . 1 1 9 9 LYS CA C 9 51.389 51.389 53.971 -2.582 19699 38 1 . 1 1 9 9 LYS CB C 9 37.561 37.561 36.656 0.905 19699 39 1 . 1 1 9 9 LYS H H 9 9.284 9.284 9.135 0.149 19699 40 1 . 1 1 10 10 GLY N N 10 109.739 109.739 108.533 1.206 19699 41 1 . 1 1 10 10 GLY C C 10 172.722 172.722 173.585 -0.863 19699 42 1 . 1 1 10 10 GLY CA C 10 44.202 44.202 44.028 0.174 19699 43 1 . 1 1 10 10 GLY H H 10 8.755 8.755 8.640 0.115 19699 44 1 . 1 1 11 11 ILE N N 11 122.761 122.761 124.208 -1.447 19699 45 1 . 1 1 11 11 ILE C C 11 174.106 174.106 174.831 -0.725 19699 46 1 . 1 1 11 11 ILE CA C 11 60.112 60.112 59.900 0.212 19699 47 1 . 1 1 11 11 ILE CB C 11 42.745 42.745 41.322 1.423 19699 48 1 . 1 1 11 11 ILE H H 11 8.212 8.212 8.765 -0.553 19699 49 1 . 1 1 12 12 ASN N N 12 127.675 127.675 126.528 1.147 19699 50 1 . 1 1 12 12 ASN CA C 12 49.739 49.739 50.389 -0.650 19699 51 1 . 1 1 12 12 ASN CB C 12 37.585 37.585 38.486 -0.901 19699 52 1 . 1 1 12 12 ASN H H 12 9.050 9.050 8.775 0.275 19699 53 1 . 1 1 13 13 PRO C C 13 176.450 176.450 176.504 -0.054 19699 54 1 . 1 1 14 14 THR N N 14 115.695 115.695 116.877 -1.182 19699 55 1 . 1 1 14 14 THR C C 14 173.172 173.172 173.856 -0.684 19699 56 1 . 1 1 14 14 THR CA C 14 59.908 59.908 61.174 -1.266 19699 57 1 . 1 1 14 14 THR CB C 14 70.727 70.727 71.181 -0.454 19699 58 1 . 1 1 14 14 THR H H 14 9.320 9.320 8.597 0.723 19699 59 1 . 1 1 15 15 LYS N N 15 123.952 123.952 126.699 -2.747 19699 60 1 . 1 1 15 15 LYS C C 15 177.147 177.147 175.902 1.245 19699 61 1 . 1 1 15 15 LYS CA C 15 55.686 55.686 56.076 -0.390 19699 62 1 . 1 1 15 15 LYS CB C 15 31.964 31.964 33.164 -1.200 19699 63 1 . 1 1 15 15 LYS H H 15 8.534 8.534 8.608 -0.074 19699 64 1 . 1 1 16 16 VAL N N 16 129.976 129.976 127.410 2.566 19699 65 1 . 1 1 16 16 VAL CA C 16 58.944 58.944 59.021 -0.077 19699 66 1 . 1 1 16 16 VAL CB C 16 32.014 32.014 33.369 -1.355 19699 67 1 . 1 1 16 16 VAL H H 16 8.836 8.836 8.671 0.165 19699 68 1 . 1 1 17 17 PRO C C 17 176.397 176.397 175.860 0.537 19699 69 1 . 1 1 18 18 SER N N 18 117.885 117.885 116.316 1.569 19699 70 1 . 1 1 18 18 SER C C 18 174.516 174.516 174.757 -0.241 19699 71 1 . 1 1 18 18 SER CA C 18 56.695 56.695 57.328 -0.633 19699 72 1 . 1 1 18 18 SER CB C 18 64.232 64.232 64.559 -0.327 19699 73 1 . 1 1 18 18 SER H H 18 8.303 8.303 7.824 0.479 19699 74 1 . 1 1 19 19 SER N N 19 120.346 120.346 117.887 2.459 19699 75 1 . 1 1 19 19 SER C C 19 173.829 173.829 174.730 -0.901 19699 76 1 . 1 1 19 19 SER CA C 19 58.080 58.080 59.242 -1.162 19699 77 1 . 1 1 19 19 SER CB C 19 62.659 62.659 63.310 -0.651 19699 78 1 . 1 1 19 19 SER H H 19 8.679 8.679 8.473 0.206 19699 79 1 . 1 1 20 20 ASP N N 20 126.377 126.377 124.550 1.827 19699 80 1 . 1 1 20 20 ASP CA C 20 52.384 52.384 52.806 -0.422 19699 81 1 . 1 1 20 20 ASP CB C 20 41.535 41.535 41.372 0.164 19699 82 1 . 1 1 20 20 ASP H H 20 8.247 8.247 7.643 0.604 19699 83 1 . 1 1 21 21 PRO C C 21 177.616 177.616 175.831 1.785 19699 84 1 . 1 1 22 22 ARG N N 22 119.127 119.127 116.817 2.309 19699 85 1 . 1 1 22 22 ARG C C 22 175.307 175.307 175.056 0.251 19699 86 1 . 1 1 22 22 ARG CA C 22 55.414 55.414 55.607 -0.193 19699 87 1 . 1 1 22 22 ARG CB C 22 28.805 28.805 31.428 -2.623 19699 88 1 . 1 1 22 22 ARG H H 22 8.692 8.692 8.081 0.611 19699 89 1 . 1 1 23 23 THR N N 23 120.270 120.270 116.298 3.972 19699 90 1 . 1 1 23 23 THR C C 23 172.509 172.509 173.810 -1.301 19699 91 1 . 1 1 23 23 THR CA C 23 63.089 63.089 61.759 1.330 19699 92 1 . 1 1 23 23 THR CB C 23 69.254 69.254 70.672 -1.418 19699 93 1 . 1 1 23 23 THR H H 23 8.265 8.265 8.333 -0.068 19699 94 1 . 1 1 24 24 VAL N N 24 129.461 129.461 126.175 3.286 19699 95 1 . 1 1 24 24 VAL C C 24 174.663 174.663 174.559 0.104 19699 96 1 . 1 1 24 24 VAL CA C 24 60.984 60.984 61.376 -0.392 19699 97 1 . 1 1 24 24 VAL CB C 24 31.604 31.604 32.605 -1.002 19699 98 1 . 1 1 24 24 VAL H H 24 8.992 8.992 8.554 0.438 19699 99 1 . 1 1 25 25 LEU N N 25 126.449 126.449 129.154 -2.705 19699 100 1 . 1 1 25 25 LEU C C 25 174.669 174.669 175.656 -0.988 19699 101 1 . 1 1 25 25 LEU CA C 25 52.247 52.247 53.315 -1.068 19699 102 1 . 1 1 25 25 LEU CB C 25 44.162 44.162 42.594 1.568 19699 103 1 . 1 1 25 25 LEU H H 25 9.281 9.281 8.749 0.532 19699 104 1 . 1 1 26 26 LYS N N 26 120.574 120.574 124.463 -3.889 19699 105 1 . 1 1 26 26 LYS C C 26 175.637 175.637 175.049 0.588 19699 106 1 . 1 1 26 26 LYS CA C 26 53.665 53.665 55.082 -1.417 19699 107 1 . 1 1 26 26 LYS CB C 26 36.820 36.820 35.115 1.705 19699 108 1 . 1 1 26 26 LYS H H 26 8.832 8.832 8.754 0.078 19699 109 1 . 1 1 27 27 CYS N N 27 126.079 126.079 126.870 -0.791 19699 110 1 . 1 1 27 27 CYS C C 27 172.527 172.527 174.303 -1.776 19699 111 1 . 1 1 27 27 CYS CA C 27 52.428 52.428 58.124 -5.696 19699 112 1 . 1 1 27 27 CYS CB C 27 44.628 44.628 26.592 18.036 19699 113 1 . 1 1 27 27 CYS H H 27 8.709 8.709 8.973 -0.264 19699 114 1 . 1 1 28 28 THR N N 28 122.887 122.887 122.255 0.632 19699 115 1 . 1 1 28 28 THR C C 28 172.844 172.844 173.623 -0.779 19699 116 1 . 1 1 28 28 THR CA C 28 64.228 64.228 63.599 0.629 19699 117 1 . 1 1 28 28 THR CB C 28 68.222 68.222 69.288 -1.066 19699 118 1 . 1 1 28 28 THR H H 28 8.086 8.086 8.404 -0.318 19699 119 1 . 1 1 29 29 LEU N N 29 127.761 127.761 128.816 -1.055 19699 120 1 . 1 1 29 29 LEU CA C 29 50.361 50.361 51.337 -0.976 19699 121 1 . 1 1 29 29 LEU CB C 29 39.791 39.791 42.893 -3.102 19699 122 1 . 1 1 29 29 LEU H H 29 8.452 8.452 8.076 0.377 19699 123 1 . 1 1 30 30 PRO C C 30 174.451 174.451 175.954 -1.503 19699 124 1 . 1 1 31 31 ASP N N 31 120.693 120.693 122.949 -2.256 19699 125 1 . 1 1 31 31 ASP C C 31 175.442 175.442 175.250 0.192 19699 126 1 . 1 1 31 31 ASP CA C 31 52.922 52.922 53.996 -1.074 19699 127 1 . 1 1 31 31 ASP CB C 31 38.245 38.245 39.638 -1.393 19699 128 1 . 1 1 31 31 ASP H H 31 8.380 8.380 8.541 -0.161 19699 129 1 . 1 1 32 32 VAL N N 32 127.962 127.962 123.233 4.729 19699 130 1 . 1 1 32 32 VAL C C 32 173.841 173.841 175.538 -1.697 19699 131 1 . 1 1 32 32 VAL CA C 32 60.968 60.968 61.650 -0.682 19699 132 1 . 1 1 32 32 VAL CB C 32 33.402 33.402 33.216 0.186 19699 133 1 . 1 1 32 32 VAL H H 32 7.195 7.195 7.760 -0.565 19699 134 1 . 1 1 33 33 LYS N N 33 127.967 127.967 129.854 -1.887 19699 135 1 . 1 1 33 33 LYS C C 33 176.805 176.805 175.668 1.137 19699 136 1 . 1 1 33 33 LYS CA C 33 54.758 54.758 55.718 -0.961 19699 137 1 . 1 1 33 33 LYS CB C 33 30.073 30.073 31.357 -1.284 19699 138 1 . 1 1 33 33 LYS H H 33 8.375 8.375 8.828 -0.453 19699 139 1 . 1 1 34 34 VAL N N 34 110.772 110.772 117.059 -6.287 19699 140 1 . 1 1 34 34 VAL C C 34 174.766 174.766 174.187 0.579 19699 141 1 . 1 1 34 34 VAL CA C 34 56.939 56.939 59.273 -2.334 19699 142 1 . 1 1 34 34 VAL CB C 34 34.674 34.674 35.788 -1.114 19699 143 1 . 1 1 34 34 VAL H H 34 6.445 6.445 7.682 -1.238 19699 144 1 . 1 1 35 35 ASN N N 35 123.757 123.757 121.935 1.822 19699 145 1 . 1 1 35 35 ASN C C 35 173.218 173.218 173.982 -0.764 19699 146 1 . 1 1 35 35 ASN CA C 35 53.636 53.636 53.375 0.261 19699 147 1 . 1 1 35 35 ASN CB C 35 36.128 36.128 36.637 -0.509 19699 148 1 . 1 1 35 35 ASN H H 35 8.723 8.723 8.709 0.014 19699 149 1 . 1 1 36 36 ALA N N 36 124.355 124.355 126.120 -1.765 19699 150 1 . 1 1 36 36 ALA C C 36 175.731 175.731 174.937 0.794 19699 151 1 . 1 1 36 36 ALA H H 36 7.176 7.176 8.093 -0.917 19699 152 1 . 1 1 37 37 SER N N 37 116.842 116.842 114.163 2.679 19699 153 1 . 1 1 37 37 SER C C 37 173.137 173.137 173.096 0.040 19699 154 1 . 1 1 37 37 SER CA C 37 56.592 56.592 56.644 -0.052 19699 155 1 . 1 1 37 37 SER CB C 37 65.760 65.760 66.112 -0.352 19699 156 1 . 1 1 37 37 SER H H 37 8.185 8.185 7.989 0.196 19699 157 1 . 1 1 38 38 TRP N N 38 123.519 123.519 122.583 0.936 19699 158 1 . 1 1 38 38 TRP C C 38 174.100 174.100 176.201 -2.101 19699 159 1 . 1 1 38 38 TRP CA C 38 54.834 54.834 55.573 -0.738 19699 160 1 . 1 1 38 38 TRP CB C 38 28.594 28.594 33.567 -4.973 19699 161 1 . 1 1 38 38 TRP H H 38 8.895 8.895 9.061 -0.166 19699 162 1 . 1 1 39 39 THR N N 39 120.476 120.476 119.563 0.913 19699 163 1 . 1 1 39 39 THR C C 39 174.400 174.400 173.635 0.765 19699 164 1 . 1 1 39 39 THR CA C 39 61.580 61.580 61.775 -0.195 19699 165 1 . 1 1 39 39 THR CB C 39 70.182 70.182 70.269 -0.087 19699 166 1 . 1 1 39 39 THR H H 39 9.073 9.073 9.044 0.029 19699 167 1 . 1 1 40 40 LEU N N 40 129.561 129.561 128.310 1.251 19699 168 1 . 1 1 40 40 LEU C C 40 173.008 173.008 175.407 -2.399 19699 169 1 . 1 1 40 40 LEU H H 40 10.036 10.036 9.150 0.886 19699 170 1 . 1 1 41 41 GLU N N 41 126.217 126.217 123.682 2.535 19699 171 1 . 1 1 41 41 GLU C C 41 174.208 174.208 175.001 -0.792 19699 172 1 . 1 1 41 41 GLU CA C 41 53.151 53.151 54.377 -1.226 19699 173 1 . 1 1 41 41 GLU CB C 41 31.092 31.092 33.484 -2.392 19699 174 1 . 1 1 41 41 GLU H H 41 8.504 8.504 8.448 0.056 19699 175 1 . 1 1 42 42 TRP N N 42 131.942 131.942 127.393 4.549 19699 176 1 . 1 1 42 42 TRP C C 42 174.332 174.332 175.939 -1.607 19699 177 1 . 1 1 42 42 TRP CA C 42 55.084 55.084 56.788 -1.704 19699 178 1 . 1 1 42 42 TRP CB C 42 27.913 27.913 30.087 -2.174 19699 179 1 . 1 1 42 42 TRP H H 42 9.446 9.446 9.050 0.397 19699 180 1 . 1 1 43 43 VAL N N 43 127.871 127.871 123.080 4.791 19699 181 1 . 1 1 43 43 VAL C C 43 175.693 175.693 174.953 0.740 19699 182 1 . 1 1 43 43 VAL CA C 43 62.219 62.219 60.923 1.296 19699 183 1 . 1 1 43 43 VAL CB C 43 31.454 31.454 34.741 -3.287 19699 184 1 . 1 1 43 43 VAL H H 43 9.065 9.065 9.328 -0.263 19699 185 1 . 1 1 44 44 VAL N N 44 129.882 129.882 126.174 3.708 19699 186 1 . 1 1 44 44 VAL C C 44 176.740 176.740 176.341 0.399 19699 187 1 . 1 1 44 44 VAL CA C 44 61.175 61.175 61.143 0.032 19699 188 1 . 1 1 44 44 VAL CB C 44 28.485 28.485 32.131 -3.646 19699 189 1 . 1 1 44 44 VAL H H 44 8.895 8.895 8.986 -0.091 19699 190 1 . 1 1 45 45 VAL N N 45 125.719 125.719 129.505 -3.785 19699 191 1 . 1 1 45 45 VAL C C 45 179.320 179.320 176.492 2.828 19699 192 1 . 1 1 45 45 VAL CA C 45 66.862 66.862 65.948 0.914 19699 193 1 . 1 1 45 45 VAL CB C 45 31.205 31.205 32.077 -0.872 19699 194 1 . 1 1 45 45 VAL H H 45 7.462 7.462 8.312 -0.850 19699 195 1 . 1 1 46 46 ASN N N 46 114.964 114.964 116.216 -1.252 19699 196 1 . 1 1 46 46 ASN C C 46 175.545 175.545 176.109 -0.564 19699 197 1 . 1 1 46 46 ASN CA C 46 54.810 54.810 55.216 -0.406 19699 198 1 . 1 1 46 46 ASN CB C 46 36.077 36.077 38.576 -2.499 19699 199 1 . 1 1 46 46 ASN H H 46 8.550 8.550 7.672 0.878 19699 200 1 . 1 1 47 47 LEU N N 47 117.360 117.360 116.572 0.788 19699 201 1 . 1 1 47 47 LEU C C 47 175.920 175.920 176.634 -0.714 19699 202 1 . 1 1 47 47 LEU CA C 47 53.266 53.266 54.756 -1.490 19699 203 1 . 1 1 47 47 LEU CB C 47 41.645 41.645 42.424 -0.779 19699 204 1 . 1 1 47 47 LEU H H 47 7.023 7.023 7.699 -0.676 19699 205 1 . 1 1 48 48 HIS N N 48 116.042 116.042 115.076 0.966 19699 206 1 . 1 1 48 48 HIS C C 48 172.021 172.021 174.116 -2.095 19699 207 1 . 1 1 48 48 HIS CA C 48 55.594 55.594 57.178 -1.584 19699 208 1 . 1 1 48 48 HIS CB C 48 26.230 26.230 26.782 -0.552 19699 209 1 . 1 1 48 48 HIS H H 48 7.581 7.581 7.722 -0.141 19699 210 1 . 1 1 49 49 THR N N 49 107.923 107.923 111.357 -3.434 19699 211 1 . 1 1 49 49 THR C C 49 171.828 171.828 172.353 -0.525 19699 212 1 . 1 1 49 49 THR CA C 49 58.493 58.493 60.785 -2.292 19699 213 1 . 1 1 49 49 THR CB C 49 68.152 68.152 71.402 -3.250 19699 214 1 . 1 1 49 49 THR H H 49 7.011 7.011 7.865 -0.854 19699 215 1 . 1 1 50 50 SER N N 50 114.393 114.393 115.311 -0.918 19699 216 1 . 1 1 50 50 SER C C 50 172.904 172.904 173.073 -0.169 19699 217 1 . 1 1 50 50 SER CA C 50 55.318 55.318 56.831 -1.513 19699 218 1 . 1 1 50 50 SER CB C 50 66.748 66.748 66.213 0.536 19699 219 1 . 1 1 50 50 SER H H 50 8.066 8.066 8.373 -0.307 19699 220 1 . 1 1 51 51 VAL N N 51 123.100 123.100 121.250 1.850 19699 221 1 . 1 1 51 51 VAL C C 51 176.585 176.585 175.782 0.803 19699 222 1 . 1 1 51 51 VAL CA C 51 63.214 63.214 62.721 0.492 19699 223 1 . 1 1 51 51 VAL CB C 51 31.351 31.351 32.654 -1.302 19699 224 1 . 1 1 51 51 VAL H H 51 8.667 8.667 8.611 0.056 19699 225 1 . 1 1 52 52 ASP N N 52 129.313 129.313 126.755 2.558 19699 226 1 . 1 1 52 52 ASP C C 52 173.916 173.916 174.937 -1.021 19699 227 1 . 1 1 52 52 ASP CA C 52 56.742 56.742 54.233 2.509 19699 228 1 . 1 1 52 52 ASP CB C 52 39.928 39.928 39.592 0.336 19699 229 1 . 1 1 52 52 ASP H H 52 9.402 9.402 8.570 0.832 19699 230 1 . 1 1 53 53 VAL N N 53 118.437 118.437 121.011 -2.574 19699 231 1 . 1 1 53 53 VAL C C 53 175.402 175.402 173.902 1.500 19699 232 1 . 1 1 53 53 VAL CA C 53 59.768 59.768 61.260 -1.492 19699 233 1 . 1 1 53 53 VAL CB C 53 34.846 34.846 34.739 0.107 19699 234 1 . 1 1 53 53 VAL H H 53 7.080 7.080 8.056 -0.976 19699 235 1 . 1 1 54 54 THR N N 54 115.972 115.972 118.408 -2.436 19699 236 1 . 1 1 54 54 THR C C 54 174.081 174.081 173.582 0.499 19699 237 1 . 1 1 54 54 THR CA C 54 58.682 58.682 59.859 -1.177 19699 238 1 . 1 1 54 54 THR CB C 54 70.590 70.590 71.642 -1.052 19699 239 1 . 1 1 54 54 THR H H 54 9.682 9.682 9.003 0.679 19699 240 1 . 1 1 55 55 SER N N 55 117.493 117.493 118.501 -1.008 19699 241 1 . 1 1 55 55 SER C C 55 172.532 172.532 172.999 -0.467 19699 242 1 . 1 1 55 55 SER CA C 55 58.440 58.440 57.257 1.183 19699 243 1 . 1 1 55 55 SER CB C 55 64.406 64.406 64.964 -0.558 19699 244 1 . 1 1 55 55 SER H H 55 9.115 9.115 8.575 0.540 19699 245 1 . 1 1 56 56 TYR N N 56 127.570 127.570 126.705 0.865 19699 246 1 . 1 1 56 56 TYR C C 56 173.235 173.235 175.335 -2.100 19699 247 1 . 1 1 56 56 TYR CA C 56 58.291 58.291 56.225 2.066 19699 248 1 . 1 1 56 56 TYR CB C 56 40.634 40.634 40.877 -0.243 19699 249 1 . 1 1 56 56 TYR H H 56 8.706 8.706 9.351 -0.645 19699 250 1 . 1 1 57 57 TYR N N 57 126.921 126.921 121.188 5.734 19699 251 1 . 1 1 57 57 TYR C C 57 175.189 175.189 174.728 0.461 19699 252 1 . 1 1 57 57 TYR CA C 57 54.410 54.410 56.337 -1.926 19699 253 1 . 1 1 57 57 TYR CB C 57 40.543 40.543 42.693 -2.150 19699 254 1 . 1 1 57 57 TYR H H 57 9.160 9.160 9.528 -0.368 19699 255 1 . 1 1 58 58 GLU N N 58 114.689 114.689 121.212 -6.523 19699 256 1 . 1 1 58 58 GLU C C 58 176.098 176.098 174.998 1.100 19699 257 1 . 1 1 58 58 GLU CA C 58 55.321 55.321 55.293 0.028 19699 258 1 . 1 1 58 58 GLU CB C 58 33.997 33.997 34.090 -0.093 19699 259 1 . 1 1 58 58 GLU H H 58 7.814 7.814 8.899 -1.085 19699 260 1 . 1 1 59 59 SER N N 59 118.144 118.144 120.539 -2.395 19699 261 1 . 1 1 59 59 SER C C 59 172.474 172.474 173.244 -0.770 19699 262 1 . 1 1 59 59 SER CA C 59 56.261 56.261 56.610 -0.349 19699 263 1 . 1 1 59 59 SER CB C 59 67.299 67.299 65.587 1.712 19699 264 1 . 1 1 59 59 SER H H 59 9.059 9.059 8.668 0.391 19699 265 1 . 1 1 60 60 SER N N 60 120.314 120.314 113.649 6.665 19699 266 1 . 1 1 60 60 SER CA C 60 56.956 56.956 56.341 0.615 19699 267 1 . 1 1 60 60 SER CB C 60 65.027 65.027 64.170 0.857 19699 268 1 . 1 1 60 60 SER H H 60 9.489 9.489 8.627 0.862 19699 269 1 . 1 1 61 61 PRO C C 61 175.753 175.753 176.866 -1.113 19699 270 1 . 1 1 62 62 ASN N N 62 110.807 110.807 112.558 -1.751 19699 271 1 . 1 1 62 62 ASN C C 62 174.630 174.630 174.891 -0.261 19699 272 1 . 1 1 62 62 ASN CA C 62 51.410 51.410 53.322 -1.912 19699 273 1 . 1 1 62 62 ASN CB C 62 39.956 39.956 40.436 -0.480 19699 274 1 . 1 1 62 62 ASN H H 62 7.693 7.693 7.954 -0.261 19699 275 1 . 1 1 63 63 SER N N 63 115.903 115.903 116.499 -0.596 19699 276 1 . 1 1 63 63 SER C C 63 171.926 171.926 173.500 -1.575 19699 277 1 . 1 1 63 63 SER CA C 63 57.927 57.927 57.237 0.690 19699 278 1 . 1 1 63 63 SER CB C 63 64.472 64.472 64.712 -0.240 19699 279 1 . 1 1 63 63 SER H H 63 7.636 7.636 8.241 -0.605 19699 280 1 . 1 1 64 64 GLU N N 64 128.229 128.229 126.145 2.084 19699 281 1 . 1 1 64 64 GLU CA C 64 55.327 55.327 54.434 0.893 19699 282 1 . 1 1 64 64 GLU CB C 64 25.436 25.436 29.593 -4.157 19699 283 1 . 1 1 64 64 GLU H H 64 9.432 9.432 8.670 0.762 19699 284 1 . 1 1 65 65 PRO C C 65 175.912 175.912 176.187 -0.275 19699 285 1 . 1 1 66 66 ARG N N 66 125.093 125.093 123.906 1.188 19699 286 1 . 1 1 66 66 ARG C C 66 175.221 175.221 175.348 -0.127 19699 287 1 . 1 1 66 66 ARG CA C 66 53.753 53.753 53.474 0.279 19699 288 1 . 1 1 66 66 ARG CB C 66 32.172 32.172 34.201 -2.029 19699 289 1 . 1 1 66 66 ARG H H 66 8.054 8.054 8.674 -0.620 19699 290 1 . 1 1 67 67 PHE N N 67 126.028 126.028 123.691 2.337 19699 291 1 . 1 1 67 67 PHE C C 67 174.478 174.478 175.115 -0.637 19699 292 1 . 1 1 67 67 PHE CA C 67 58.896 58.896 59.037 -0.141 19699 293 1 . 1 1 67 67 PHE CB C 67 38.054 38.054 38.895 -0.841 19699 294 1 . 1 1 67 67 PHE H H 67 9.078 9.078 8.876 0.202 19699 295 1 . 1 1 68 68 LEU N N 68 127.080 127.080 129.005 -1.925 19699 296 1 . 1 1 68 68 LEU C C 68 175.994 175.994 175.447 0.547 19699 297 1 . 1 1 68 68 LEU CA C 68 54.872 54.872 55.714 -0.842 19699 298 1 . 1 1 68 68 LEU CB C 68 44.775 44.775 43.428 1.348 19699 299 1 . 1 1 68 68 LEU H H 68 8.477 8.477 8.571 -0.094 19699 300 1 . 1 1 69 69 ARG N N 69 111.037 111.037 111.651 -0.614 19699 301 1 . 1 1 69 69 ARG C C 69 172.738 172.738 173.452 -0.714 19699 302 1 . 1 1 69 69 ARG CA C 69 54.926 54.926 54.543 0.383 19699 303 1 . 1 1 69 69 ARG CB C 69 29.729 29.729 32.174 -2.445 19699 304 1 . 1 1 69 69 ARG H H 69 6.560 6.560 7.097 -0.537 19699 305 1 . 1 1 70 70 ALA N N 70 124.959 124.959 123.149 1.810 19699 306 1 . 1 1 70 70 ALA C C 70 177.538 177.538 176.203 1.335 19699 307 1 . 1 1 70 70 ALA CA C 70 50.155 50.155 50.926 -0.771 19699 308 1 . 1 1 70 70 ALA CB C 70 18.600 18.600 21.888 -3.288 19699 309 1 . 1 1 70 70 ALA H H 70 8.749 8.749 8.495 0.254 19699 310 1 . 1 1 71 71 ILE N N 71 120.318 120.318 122.949 -2.631 19699 311 1 . 1 1 71 71 ILE C C 71 174.971 174.971 175.257 -0.286 19699 312 1 . 1 1 71 71 ILE CA C 71 59.181 59.181 59.977 -0.796 19699 313 1 . 1 1 71 71 ILE CB C 71 40.500 40.500 42.007 -1.507 19699 314 1 . 1 1 71 71 ILE H H 71 8.532 8.532 9.043 -0.511 19699 315 1 . 1 1 72 72 LEU N N 72 124.858 124.858 126.394 -1.536 19699 316 1 . 1 1 72 72 LEU C C 72 176.383 176.383 177.170 -0.787 19699 317 1 . 1 1 72 72 LEU CA C 72 56.146 56.146 55.265 0.881 19699 318 1 . 1 1 72 72 LEU CB C 72 40.535 40.535 42.099 -1.564 19699 319 1 . 1 1 72 72 LEU H H 72 8.370 8.370 8.672 -0.302 19699 320 1 . 1 1 73 73 ASN N N 73 118.206 118.206 120.994 -2.788 19699 321 1 . 1 1 73 73 ASN C C 73 174.181 174.181 175.211 -1.030 19699 322 1 . 1 1 73 73 ASN CA C 73 50.689 50.689 52.485 -1.796 19699 323 1 . 1 1 73 73 ASN CB C 73 36.110 36.110 37.164 -1.054 19699 324 1 . 1 1 73 73 ASN H H 73 8.220 8.220 8.637 -0.417 19699 325 1 . 1 1 74 74 PHE N N 74 123.331 123.331 122.587 0.744 19699 326 1 . 1 1 74 74 PHE C C 74 176.458 176.458 175.807 0.651 19699 327 1 . 1 1 74 74 PHE CA C 74 59.394 59.394 59.834 -0.440 19699 328 1 . 1 1 74 74 PHE CB C 74 39.548 39.548 39.657 -0.109 19699 329 1 . 1 1 74 74 PHE H H 74 7.606 7.606 8.083 -0.477 19699 330 1 . 1 1 75 75 THR N N 75 109.350 109.350 113.299 -3.949 19699 331 1 . 1 1 75 75 THR H H 75 7.826 7.826 7.968 -0.142 19699 332 1 . 1 1 76 76 PRO C C 76 176.832 176.832 176.757 0.075 19699 333 1 . 1 1 77 77 MET N N 77 122.265 122.265 117.134 5.131 19699 334 1 . 1 1 77 77 MET C C 77 176.515 176.515 176.116 0.399 19699 335 1 . 1 1 77 77 MET CA C 77 55.525 55.525 55.769 -0.244 19699 336 1 . 1 1 77 77 MET CB C 77 30.039 30.039 32.180 -2.141 19699 337 1 . 1 1 77 77 MET H H 77 8.404 8.404 8.533 -0.129 19699 338 1 . 1 1 78 78 HIS N N 78 123.575 123.575 118.895 4.680 19699 339 1 . 1 1 78 78 HIS C C 78 175.951 175.951 175.594 0.357 19699 340 1 . 1 1 78 78 HIS CA C 78 55.574 55.574 55.429 0.145 19699 341 1 . 1 1 78 78 HIS CB C 78 29.895 29.895 28.621 1.274 19699 342 1 . 1 1 78 78 HIS H H 78 8.469 8.469 8.013 0.456 19699 343 1 . 1 1 80 80 LEU C C 80 177.711 177.711 176.309 1.402 19699 344 1 . 1 1 81 81 ARG N N 81 119.707 119.707 121.400 -1.693 19699 345 1 . 1 1 81 81 ARG C C 81 177.060 177.060 175.942 1.118 19699 346 1 . 1 1 81 81 ARG H H 81 8.368 8.368 8.487 -0.119 19699 347 1 . 1 1 82 82 THR N N 82 114.163 114.163 113.016 1.147 19699 348 1 . 1 1 82 82 THR C C 82 174.712 174.712 174.311 0.401 19699 349 1 . 1 1 82 82 THR CA C 82 62.533 62.533 62.669 -0.136 19699 350 1 . 1 1 82 82 THR H H 82 7.936 7.936 8.344 -0.408 19699 351 1 . 1 1 83 83 LYS N N 83 121.875 121.875 121.444 0.431 19699 352 1 . 1 1 83 83 LYS C C 83 175.855 175.855 175.934 -0.079 19699 353 1 . 1 1 83 83 LYS CA C 83 55.700 55.700 55.284 0.416 19699 354 1 . 1 1 83 83 LYS CB C 83 32.322 32.322 33.805 -1.483 19699 355 1 . 1 1 83 83 LYS H H 83 8.092 8.092 7.797 0.295 19699 356 1 . 1 1 84 84 ASN N N 84 118.272 118.272 120.706 -2.434 19699 357 1 . 1 1 84 84 ASN C C 84 176.216 176.216 174.974 1.242 19699 358 1 . 1 1 84 84 ASN CA C 84 52.602 52.602 52.827 -0.225 19699 359 1 . 1 1 84 84 ASN CB C 84 38.706 38.706 38.557 0.149 19699 360 1 . 1 1 84 84 ASN H H 84 8.163 8.163 8.577 -0.414 19699 361 1 . 1 1 85 85 LEU N N 85 123.394 123.394 122.445 0.949 19699 362 1 . 1 1 85 85 LEU C C 85 176.987 176.987 177.038 -0.052 19699 363 1 . 1 1 85 85 LEU CA C 85 54.266 54.266 54.240 0.026 19699 364 1 . 1 1 85 85 LEU CB C 85 40.497 40.497 43.346 -2.849 19699 365 1 . 1 1 85 85 LEU H H 85 8.382 8.382 8.092 0.290 19699 366 1 . 1 1 86 86 LEU N N 86 122.330 122.330 122.016 0.314 19699 367 1 . 1 1 86 86 LEU C C 86 175.867 175.867 176.533 -0.666 19699 368 1 . 1 1 86 86 LEU CA C 86 54.615 54.615 54.866 -0.251 19699 369 1 . 1 1 86 86 LEU CB C 86 42.488 42.488 42.120 0.368 19699 370 1 . 1 1 86 86 LEU H H 86 8.350 8.350 8.537 -0.187 19699 371 1 . 1 1 87 87 LYS N N 87 121.964 121.964 122.260 -0.296 19699 372 1 . 1 1 87 87 LYS C C 87 179.215 179.215 178.031 1.183 19699 373 1 . 1 1 87 87 LYS CA C 87 54.413 54.413 54.173 0.240 19699 374 1 . 1 1 87 87 LYS CB C 87 35.919 35.919 34.693 1.226 19699 375 1 . 1 1 87 87 LYS H H 87 9.560 9.560 8.847 0.713 19699 376 1 . 1 1 88 88 VAL N N 88 124.714 124.714 121.612 3.102 19699 377 1 . 1 1 88 88 VAL C C 88 181.289 181.289 178.050 3.239 19699 378 1 . 1 1 88 88 VAL CA C 88 66.731 66.731 66.413 0.319 19699 379 1 . 1 1 88 88 VAL CB C 88 30.096 30.096 31.827 -1.731 19699 380 1 . 1 1 88 88 VAL H H 88 8.331 8.331 8.863 -0.532 19699 381 1 . 1 1 89 89 LYS N N 89 119.721 119.721 117.286 2.435 19699 382 1 . 1 1 89 89 LYS C C 89 176.988 176.988 176.528 0.460 19699 383 1 . 1 1 89 89 LYS CA C 89 54.733 54.733 58.627 -3.894 19699 384 1 . 1 1 89 89 LYS CB C 89 30.437 30.437 31.398 -0.961 19699 385 1 . 1 1 89 89 LYS H H 89 8.356 8.356 8.285 0.071 19699 386 1 . 1 1 90 90 ASP N N 90 117.057 117.057 117.727 -0.670 19699 387 1 . 1 1 90 90 ASP C C 90 174.938 174.938 175.955 -1.017 19699 388 1 . 1 1 90 90 ASP CA C 90 54.722 54.722 54.608 0.114 19699 389 1 . 1 1 90 90 ASP CB C 90 42.585 42.585 41.781 0.804 19699 390 1 . 1 1 90 90 ASP H H 90 7.613 7.613 7.817 -0.204 19699 391 1 . 1 1 91 91 GLY N N 91 104.457 104.457 105.738 -1.281 19699 392 1 . 1 1 91 91 GLY C C 91 172.136 172.136 173.340 -1.204 19699 393 1 . 1 1 91 91 GLY CA C 91 44.478 44.478 45.019 -0.541 19699 394 1 . 1 1 91 91 GLY H H 91 8.078 8.078 8.055 0.023 19699 395 1 . 1 1 92 92 PHE N N 92 117.903 117.903 119.513 -1.610 19699 396 1 . 1 1 92 92 PHE C C 92 173.925 173.925 174.240 -0.315 19699 397 1 . 1 1 92 92 PHE CA C 92 56.773 56.773 56.633 0.140 19699 398 1 . 1 1 92 92 PHE CB C 92 42.583 42.583 41.289 1.294 19699 399 1 . 1 1 92 92 PHE H H 92 7.038 7.038 7.692 -0.654 19699 400 1 . 1 1 93 93 GLN N N 93 123.497 123.497 123.838 -0.341 19699 401 1 . 1 1 93 93 GLN C C 93 173.550 173.550 174.034 -0.484 19699 402 1 . 1 1 93 93 GLN CA C 93 53.751 53.751 54.377 -0.626 19699 403 1 . 1 1 93 93 GLN CB C 93 33.893 33.893 32.272 1.621 19699 404 1 . 1 1 93 93 GLN H H 93 8.716 8.716 8.713 0.003 19699 405 1 . 1 1 94 94 VAL N N 94 130.740 130.740 128.951 1.789 19699 406 1 . 1 1 94 94 VAL C C 94 176.502 176.502 175.287 1.215 19699 407 1 . 1 1 94 94 VAL CA C 94 61.531 61.531 61.467 0.064 19699 408 1 . 1 1 94 94 VAL CB C 94 32.147 32.147 33.016 -0.870 19699 409 1 . 1 1 94 94 VAL H H 94 9.180 9.180 8.656 0.524 19699 410 1 . 1 1 95 95 ASP N N 95 128.925 128.925 127.891 1.034 19699 411 1 . 1 1 95 95 ASP C C 95 175.655 175.655 175.890 -0.235 19699 412 1 . 1 1 95 95 ASP CA C 95 54.302 54.302 54.657 -0.355 19699 413 1 . 1 1 95 95 ASP CB C 95 40.101 40.101 41.712 -1.611 19699 414 1 . 1 1 95 95 ASP H H 95 8.397 8.397 8.590 -0.193 19699 415 1 . 1 1 96 96 ASN N N 96 126.934 126.934 124.353 2.581 19699 416 1 . 1 1 96 96 ASN C C 96 176.193 176.193 174.853 1.340 19699 417 1 . 1 1 96 96 ASN CA C 96 51.702 51.702 52.246 -0.544 19699 418 1 . 1 1 96 96 ASN CB C 96 38.784 38.784 38.755 0.029 19699 419 1 . 1 1 96 96 ASN H H 96 8.367 8.367 8.604 -0.237 19699 420 1 . 1 1 97 97 SER N N 97 117.606 117.606 115.589 2.017 19699 421 1 . 1 1 97 97 SER C C 97 176.522 176.522 174.754 1.768 19699 422 1 . 1 1 97 97 SER CA C 97 58.237 58.237 57.150 1.087 19699 423 1 . 1 1 97 97 SER CB C 97 63.473 63.473 64.736 -1.262 19699 424 1 . 1 1 97 97 SER H H 97 8.645 8.645 8.731 -0.086 19699 425 1 . 1 1 98 98 THR N N 98 115.391 115.391 117.707 -2.316 19699 426 1 . 1 1 98 98 THR C C 98 175.591 175.591 175.300 0.291 19699 427 1 . 1 1 98 98 THR CA C 98 61.477 61.477 62.613 -1.136 19699 428 1 . 1 1 98 98 THR CB C 98 68.670 68.670 68.854 -0.184 19699 429 1 . 1 1 98 98 THR H H 98 8.722 8.722 8.912 -0.190 19699 430 1 . 1 1 99 99 ASP N N 99 120.196 120.196 121.276 -1.080 19699 431 1 . 1 1 99 99 ASP C C 99 176.485 176.485 177.318 -0.833 19699 432 1 . 1 1 99 99 ASP CA C 99 54.177 54.177 55.576 -1.399 19699 433 1 . 1 1 99 99 ASP CB C 99 42.256 42.256 41.256 1.000 19699 434 1 . 1 1 99 99 ASP H H 99 8.326 8.326 8.141 0.185 19699 435 1 . 1 1 100 100 ASN N N 100 118.377 118.377 118.180 0.197 19699 436 1 . 1 1 100 100 ASN C C 100 176.916 176.916 176.653 0.263 19699 437 1 . 1 1 100 100 ASN CA C 100 52.768 52.768 54.453 -1.685 19699 438 1 . 1 1 100 100 ASN CB C 100 37.948 37.948 39.081 -1.133 19699 439 1 . 1 1 100 100 ASN H H 100 7.905 7.905 8.038 -0.133 19699 440 1 . 1 1 101 101 GLY N N 101 110.470 110.470 105.137 5.333 19699 441 1 . 1 1 101 101 GLY C C 101 173.824 173.824 174.724 -0.900 19699 442 1 . 1 1 101 101 GLY CA C 101 45.458 45.458 45.448 0.010 19699 443 1 . 1 1 101 101 GLY H H 101 8.450 8.450 8.643 -0.193 19699 444 1 . 1 1 102 102 ASN N N 102 121.816 121.816 119.238 2.578 19699 445 1 . 1 1 102 102 ASN C C 102 174.402 174.402 175.055 -0.653 19699 446 1 . 1 1 102 102 ASN CA C 102 51.446 51.446 52.358 -0.912 19699 447 1 . 1 1 102 102 ASN CB C 102 40.494 40.494 38.720 1.774 19699 448 1 . 1 1 102 102 ASN H H 102 8.707 8.707 8.351 0.356 19699 449 1 . 1 1 103 103 GLY N N 103 108.784 108.784 106.963 1.821 19699 450 1 . 1 1 103 103 GLY C C 103 174.814 174.814 174.088 0.726 19699 451 1 . 1 1 103 103 GLY CA C 103 47.206 47.206 45.432 1.774 19699 452 1 . 1 1 103 103 GLY H H 103 7.977 7.977 7.827 0.150 19699 453 1 . 1 1 104 104 GLY N N 104 114.736 114.736 113.305 1.431 19699 454 1 . 1 1 104 104 GLY C C 104 174.470 174.470 174.339 0.131 19699 455 1 . 1 1 104 104 GLY CA C 104 45.274 45.274 44.937 0.337 19699 456 1 . 1 1 104 104 GLY H H 104 8.589 8.589 8.603 -0.014 19699 457 1 . 1 1 105 105 ASN N N 105 120.001 120.001 120.421 -0.420 19699 458 1 . 1 1 105 105 ASN C C 105 171.914 171.914 173.352 -1.438 19699 459 1 . 1 1 105 105 ASN CA C 105 52.052 52.052 53.303 -1.251 19699 460 1 . 1 1 105 105 ASN CB C 105 36.579 36.579 39.987 -3.408 19699 461 1 . 1 1 105 105 ASN H H 105 7.561 7.561 7.860 -0.299 19699 462 1 . 1 1 106 106 LEU N N 106 122.396 122.396 122.978 -0.582 19699 463 1 . 1 1 106 106 LEU C C 106 175.196 175.196 174.733 0.463 19699 464 1 . 1 1 106 106 LEU CA C 106 52.957 52.957 53.282 -0.325 19699 465 1 . 1 1 106 106 LEU CB C 106 41.741 41.741 43.119 -1.378 19699 466 1 . 1 1 106 106 LEU H H 106 7.775 7.775 7.647 0.128 19699 467 1 . 1 1 107 107 TYR N N 107 123.722 123.722 126.429 -2.707 19699 468 1 . 1 1 107 107 TYR C C 107 175.955 175.955 175.834 0.121 19699 469 1 . 1 1 107 107 TYR CA C 107 55.879 55.879 57.032 -1.153 19699 470 1 . 1 1 107 107 TYR CB C 107 39.562 39.562 39.129 0.433 19699 471 1 . 1 1 107 107 TYR H H 107 9.210 9.210 9.123 0.087 19699 472 1 . 1 1 108 108 VAL N N 108 121.472 121.472 123.817 -2.345 19699 473 1 . 1 1 108 108 VAL C C 108 177.065 177.065 175.218 1.848 19699 474 1 . 1 1 108 108 VAL CA C 108 60.035 60.035 60.757 -0.722 19699 475 1 . 1 1 108 108 VAL CB C 108 32.041 32.041 33.078 -1.036 19699 476 1 . 1 1 108 108 VAL H H 108 8.991 8.991 8.741 0.250 19699 477 1 . 1 1 109 109 TYR N N 109 129.064 129.064 127.538 1.526 19699 478 1 . 1 1 109 109 TYR CA C 109 57.187 57.187 56.682 0.505 19699 479 1 . 1 1 109 109 TYR CB C 109 37.223 37.223 38.411 -1.188 19699 480 1 . 1 1 109 109 TYR H H 109 9.242 9.242 8.426 0.816 19699 481 1 . 1 1 110 110 PRO C C 110 176.067 176.067 176.876 -0.810 19699 482 1 . 1 1 111 111 ASN N N 111 112.749 112.749 115.119 -2.370 19699 483 1 . 1 1 111 111 ASN C C 111 175.296 175.296 175.234 0.062 19699 484 1 . 1 1 111 111 ASN CA C 111 52.972 52.972 53.875 -0.903 19699 485 1 . 1 1 111 111 ASN CB C 111 36.505 36.505 38.025 -1.520 19699 486 1 . 1 1 111 111 ASN H H 111 8.031 8.031 8.383 -0.352 19699 487 1 . 1 1 112 112 ALA N N 112 124.990 124.990 122.892 2.098 19699 488 1 . 1 1 112 112 ALA C C 112 178.295 178.295 177.019 1.276 19699 489 1 . 1 1 112 112 ALA CA C 112 52.211 52.211 51.891 0.320 19699 490 1 . 1 1 112 112 ALA CB C 112 18.690 18.690 19.628 -0.938 19699 491 1 . 1 1 112 112 ALA H H 112 7.678 7.678 7.486 0.192 19699 492 1 . 1 1 113 113 THR N N 113 116.898 116.898 116.550 0.347 19699 493 1 . 1 1 113 113 THR C C 113 175.601 175.601 176.148 -0.547 19699 494 1 . 1 1 113 113 THR CA C 113 63.391 63.391 63.282 0.109 19699 495 1 . 1 1 113 113 THR CB C 113 69.220 69.220 69.640 -0.420 19699 496 1 . 1 1 113 113 THR H H 113 8.530 8.530 8.236 0.294 19699 497 1 . 1 1 114 114 THR N N 114 122.908 122.908 120.769 2.139 19699 498 1 . 1 1 114 114 THR C C 114 175.178 175.178 176.789 -1.611 19699 499 1 . 1 1 114 114 THR CA C 114 63.941 63.941 65.946 -2.005 19699 500 1 . 1 1 114 114 THR CB C 114 68.628 68.628 68.593 0.035 19699 501 1 . 1 1 114 114 THR H H 114 8.530 8.530 8.531 -0.001 19699 502 1 . 1 1 115 115 GLY N N 115 114.662 114.662 109.264 5.398 19699 503 1 . 1 1 115 115 GLY C C 115 175.853 175.853 176.213 -0.360 19699 504 1 . 1 1 115 115 GLY CA C 115 45.060 45.060 46.847 -1.787 19699 505 1 . 1 1 115 115 GLY H H 115 8.822 8.822 8.396 0.426 19699 506 1 . 1 1 116 116 SER N N 116 118.029 118.029 117.831 0.198 19699 507 1 . 1 1 116 116 SER C C 116 176.740 176.740 176.917 -0.176 19699 508 1 . 1 1 116 116 SER CA C 116 61.370 61.370 60.648 0.722 19699 509 1 . 1 1 116 116 SER CB C 116 62.652 62.652 63.052 -0.400 19699 510 1 . 1 1 116 116 SER H H 116 8.138 8.138 7.973 0.165 19699 511 1 . 1 1 117 117 ALA N N 117 124.981 124.981 125.090 -0.108 19699 512 1 . 1 1 117 117 ALA C C 117 178.629 178.629 179.701 -1.072 19699 513 1 . 1 1 117 117 ALA CA C 117 54.730 54.730 55.086 -0.356 19699 514 1 . 1 1 117 117 ALA CB C 117 17.293 17.293 18.272 -0.980 19699 515 1 . 1 1 117 117 ALA H H 117 8.787 8.787 8.044 0.743 19699 516 1 . 1 1 118 118 ASP N N 118 115.338 115.338 116.671 -1.333 19699 517 1 . 1 1 118 118 ASP C C 118 176.339 176.339 177.255 -0.915 19699 518 1 . 1 1 118 118 ASP CA C 118 55.247 55.247 56.337 -1.090 19699 519 1 . 1 1 118 118 ASP CB C 118 40.254 40.254 40.769 -0.515 19699 520 1 . 1 1 118 118 ASP H H 118 7.937 7.937 8.135 -0.198 19699 521 1 . 1 1 119 119 SER N N 119 115.239 115.239 113.771 1.468 19699 522 1 . 1 1 119 119 SER C C 119 173.992 173.992 174.343 -0.351 19699 523 1 . 1 1 119 119 SER CA C 119 57.490 57.490 57.892 -0.402 19699 524 1 . 1 1 119 119 SER CB C 119 64.406 64.406 63.443 0.963 19699 525 1 . 1 1 119 119 SER H H 119 7.831 7.831 7.653 0.178 19699 526 1 . 1 1 120 120 VAL N N 120 124.259 124.259 124.926 -0.667 19699 527 1 . 1 1 120 120 VAL C C 120 175.395 175.395 175.892 -0.497 19699 528 1 . 1 1 120 120 VAL CA C 120 62.132 62.132 63.739 -1.607 19699 529 1 . 1 1 120 120 VAL CB C 120 31.292 31.292 32.191 -0.899 19699 530 1 . 1 1 120 120 VAL H H 120 7.360 7.360 7.352 0.008 19699 531 1 . 1 1 121 121 ARG N N 121 129.213 129.213 125.215 3.999 19699 532 1 . 1 1 121 121 ARG C C 121 174.280 174.280 174.053 0.227 19699 533 1 . 1 1 121 121 ARG CA C 121 55.023 55.023 52.706 2.317 19699 534 1 . 1 1 121 121 ARG CB C 121 33.303 33.303 34.475 -1.172 19699 535 1 . 1 1 121 121 ARG H H 121 9.752 9.752 9.030 0.722 19699 536 1 . 1 1 122 122 CYS N N 122 119.036 119.036 121.885 -2.849 19699 537 1 . 1 1 122 122 CYS C C 122 174.282 174.282 173.530 0.752 19699 538 1 . 1 1 122 122 CYS CA C 122 54.809 54.809 57.279 -2.470 19699 539 1 . 1 1 122 122 CYS CB C 122 46.263 46.263 27.761 18.502 19699 540 1 . 1 1 122 122 CYS H H 122 8.568 8.568 8.582 -0.014 19699 541 1 . 1 1 123 123 ARG N N 123 124.532 124.532 129.281 -4.749 19699 542 1 . 1 1 123 123 ARG C C 123 175.100 175.100 174.330 0.770 19699 543 1 . 1 1 123 123 ARG CA C 123 55.158 55.158 55.292 -0.134 19699 544 1 . 1 1 123 123 ARG CB C 123 30.910 30.910 32.141 -1.231 19699 545 1 . 1 1 123 123 ARG H H 123 9.099 9.099 8.761 0.338 19699 546 1 . 1 1 124 124 LEU N N 124 132.168 132.168 128.000 4.168 19699 547 1 . 1 1 124 124 LEU C C 124 173.758 173.758 174.521 -0.763 19699 548 1 . 1 1 124 124 LEU H H 124 10.076 10.076 9.175 0.901 19699 549 1 . 1 1 125 125 ARG N N 125 128.271 128.271 128.984 -0.713 19699 550 1 . 1 1 125 125 ARG C C 125 175.505 175.505 174.495 1.010 19699 551 1 . 1 1 125 125 ARG CA C 125 53.601 53.601 54.196 -0.594 19699 552 1 . 1 1 125 125 ARG CB C 125 30.799 30.799 32.168 -1.369 19699 553 1 . 1 1 125 125 ARG H H 125 9.086 9.086 9.072 0.014 19699 554 1 . 1 1 126 126 MET N N 126 108.020 108.020 128.393 -20.373 19699 555 1 . 1 1 126 126 MET C C 126 174.911 174.911 173.933 0.978 19699 556 1 . 1 1 126 126 MET CA C 126 54.118 54.118 54.602 -0.484 19699 557 1 . 1 1 126 126 MET CB C 126 33.459 33.459 35.085 -1.626 19699 558 1 . 1 1 126 126 MET H H 126 9.003 9.003 8.946 0.056 19699 559 1 . 1 1 127 127 CYS N N 127 126.794 126.794 126.787 0.007 19699 560 1 . 1 1 127 127 CYS CA C 127 52.185 52.185 55.782 -3.597 19699 561 1 . 1 1 127 127 CYS CB C 127 46.262 46.262 26.279 19.983 19699 562 1 . 1 1 127 127 CYS H H 127 8.849 8.849 8.852 -0.003 19699 563 1 . 1 1 128 128 PRO C C 128 174.880 174.880 175.551 -0.671 19699 564 1 . 1 1 129 129 TRP N N 129 118.064 118.064 120.364 -2.300 19699 565 1 . 1 1 129 129 TRP C C 129 173.252 173.252 175.317 -2.065 19699 566 1 . 1 1 129 129 TRP CA C 129 55.336 55.336 55.400 -0.064 19699 567 1 . 1 1 129 129 TRP CB C 129 32.046 32.046 32.867 -0.821 19699 568 1 . 1 1 129 129 TRP H H 129 7.775 7.775 8.549 -0.774 19699 569 1 . 1 1 130 130 THR N N 130 112.900 112.900 112.961 -0.061 19699 570 1 . 1 1 130 130 THR C C 130 172.690 172.690 173.892 -1.202 19699 571 1 . 1 1 130 130 THR CA C 130 58.923 58.923 59.998 -1.075 19699 572 1 . 1 1 130 130 THR CB C 130 69.380 69.380 71.012 -1.632 19699 573 1 . 1 1 130 130 THR H H 130 8.810 8.810 8.605 0.205 19699 574 1 . 1 1 131 131 SER N N 131 122.448 122.448 116.822 5.626 19699 575 1 . 1 1 131 131 SER C C 131 174.399 174.399 174.129 0.270 19699 576 1 . 1 1 131 131 SER CA C 131 58.582 58.582 58.052 0.530 19699 577 1 . 1 1 131 131 SER CB C 131 63.356 63.356 63.994 -0.638 19699 578 1 . 1 1 131 131 SER H H 131 8.898 8.898 8.706 0.192 19699 579 1 . 1 1 132 132 ASN N N 132 124.196 124.196 121.974 2.222 19699 580 1 . 1 1 132 132 ASN C C 132 175.577 175.577 176.005 -0.428 19699 581 1 . 1 1 132 132 ASN CA C 132 52.167 52.167 51.911 0.256 19699 582 1 . 1 1 132 132 ASN CB C 132 38.071 38.071 38.877 -0.806 19699 583 1 . 1 1 132 132 ASN H H 132 8.785 8.785 7.541 1.244 19699 584 1 . 1 1 133 133 SER N N 133 120.691 120.691 122.943 -2.252 19699 585 1 . 1 1 133 133 SER C C 133 174.574 174.574 175.427 -0.853 19699 586 1 . 1 1 133 133 SER CA C 133 59.820 59.820 60.036 -0.216 19699 587 1 . 1 1 133 133 SER CB C 133 62.342 62.342 62.928 -0.586 19699 588 1 . 1 1 133 133 SER H H 133 8.580 8.580 8.667 -0.087 19699 589 1 . 1 1 134 134 LYS N N 134 119.450 119.450 119.861 -0.410 19699 590 1 . 1 1 134 134 LYS C C 134 176.698 176.698 176.550 0.148 19699 591 1 . 1 1 134 134 LYS CA C 134 55.687 55.687 56.749 -1.062 19699 592 1 . 1 1 134 134 LYS CB C 134 31.360 31.360 32.676 -1.316 19699 593 1 . 1 1 134 134 LYS H H 134 7.904 7.904 8.102 -0.198 19699 594 1 . 1 1 135 135 MET N N 135 121.695 121.695 119.413 2.282 19699 595 1 . 1 1 135 135 MET C C 135 175.354 175.354 175.937 -0.583 19699 596 1 . 1 1 135 135 MET CA C 135 55.498 55.498 55.670 -0.172 19699 597 1 . 1 1 135 135 MET CB C 135 33.295 33.295 33.452 -0.158 19699 598 1 . 1 1 135 135 MET H H 135 7.343 7.343 7.541 -0.198 19699 599 1 . 1 1 136 136 THR N N 136 114.220 114.220 112.947 1.272 19699 600 1 . 1 1 136 136 THR C C 136 173.806 173.806 173.223 0.583 19699 601 1 . 1 1 136 136 THR CA C 136 61.228 61.228 61.185 0.043 19699 602 1 . 1 1 136 136 THR CB C 136 69.201 69.201 69.754 -0.553 19699 603 1 . 1 1 136 136 THR H H 136 8.633 8.633 8.501 0.132 19699 604 1 . 1 1 137 137 ALA N N 137 125.205 125.205 122.339 2.866 19699 605 1 . 1 1 137 137 ALA C C 137 173.600 173.600 174.687 -1.087 19699 606 1 . 1 1 137 137 ALA CA C 137 49.842 49.842 50.075 -0.233 19699 607 1 . 1 1 137 137 ALA CB C 137 19.128 19.128 20.592 -1.464 19699 608 1 . 1 1 137 137 ALA H H 137 7.637 7.637 7.426 0.211 19699 609 1 . 1 1 138 138 PRO C C 138 175.117 175.117 175.809 -0.692 19699 610 1 . 1 1 139 139 ASP N N 139 121.528 121.528 120.820 0.708 19699 611 1 . 1 1 139 139 ASP C C 139 174.966 174.966 177.038 -2.072 19699 612 1 . 1 1 139 139 ASP CA C 139 51.577 51.577 52.034 -0.457 19699 613 1 . 1 1 139 139 ASP CB C 139 40.743 40.743 41.446 -0.703 19699 614 1 . 1 1 139 139 ASP H H 139 7.299 7.299 8.081 -0.782 19699 615 1 . 1 1 140 140 GLU N N 140 118.631 118.631 119.847 -1.216 19699 616 1 . 1 1 140 140 GLU C C 140 178.914 178.914 178.418 0.496 19699 617 1 . 1 1 140 140 GLU CA C 140 59.806 59.806 60.470 -0.664 19699 618 1 . 1 1 140 140 GLU CB C 140 28.518 28.518 29.681 -1.163 19699 619 1 . 1 1 140 140 GLU H H 140 8.524 8.524 8.669 -0.145 19699 620 1 . 1 1 141 141 GLU N N 141 119.900 119.900 119.189 0.711 19699 621 1 . 1 1 141 141 GLU C C 141 178.162 178.162 178.999 -0.837 19699 622 1 . 1 1 141 141 GLU CA C 141 58.649 58.649 59.369 -0.720 19699 623 1 . 1 1 141 141 GLU CB C 141 28.407 28.407 29.291 -0.884 19699 624 1 . 1 1 141 141 GLU H H 141 8.116 8.116 8.478 -0.362 19699 625 1 . 1 1 142 142 MET N N 142 121.303 121.303 118.612 2.691 19699 626 1 . 1 1 142 142 MET C C 142 178.689 178.689 178.876 -0.187 19699 627 1 . 1 1 142 142 MET CA C 142 59.370 59.370 59.481 -0.112 19699 628 1 . 1 1 142 142 MET CB C 142 33.252 33.252 32.776 0.476 19699 629 1 . 1 1 142 142 MET H H 142 7.989 7.989 8.976 -0.987 19699 630 1 . 1 1 143 143 LEU N N 143 117.901 117.901 119.457 -1.556 19699 631 1 . 1 1 143 143 LEU C C 143 180.619 180.619 178.436 2.183 19699 632 1 . 1 1 143 143 LEU CA C 143 57.813 57.813 57.660 0.153 19699 633 1 . 1 1 143 143 LEU CB C 143 40.269 40.269 41.531 -1.262 19699 634 1 . 1 1 143 143 LEU H H 143 8.485 8.485 8.317 0.168 19699 635 1 . 1 1 144 144 ARG N N 144 120.175 120.175 117.247 2.928 19699 636 1 . 1 1 144 144 ARG C C 144 180.648 180.648 178.835 1.813 19699 637 1 . 1 1 144 144 ARG CA C 144 59.250 59.250 59.612 -0.362 19699 638 1 . 1 1 144 144 ARG CB C 144 28.925 28.925 30.265 -1.340 19699 639 1 . 1 1 144 144 ARG H H 144 7.900 7.900 8.254 -0.354 19699 640 1 . 1 1 145 145 LYS N N 145 119.936 119.936 119.143 0.793 19699 641 1 . 1 1 145 145 LYS C C 145 178.813 178.813 178.998 -0.185 19699 642 1 . 1 1 145 145 LYS CA C 145 58.624 58.624 59.231 -0.607 19699 643 1 . 1 1 145 145 LYS CB C 145 32.063 32.063 32.456 -0.393 19699 644 1 . 1 1 145 145 LYS H H 145 7.850 7.850 8.038 -0.188 19699 645 1 . 1 1 146 146 MET N N 146 115.986 115.986 117.422 -1.436 19699 646 1 . 1 1 146 146 MET C C 146 176.094 176.094 176.598 -0.504 19699 647 1 . 1 1 146 146 MET CA C 146 55.267 55.267 56.019 -0.752 19699 648 1 . 1 1 146 146 MET CB C 146 32.898 32.898 32.572 0.326 19699 649 1 . 1 1 146 146 MET H H 146 7.776 7.776 8.229 -0.453 19699 650 1 . 1 1 147 147 SER N N 147 119.679 119.679 116.547 3.132 19699 651 1 . 1 1 147 147 SER C C 147 175.114 175.114 176.164 -1.050 19699 652 1 . 1 1 147 147 SER CA C 147 62.736 62.736 62.047 0.689 19699 653 1 . 1 1 147 147 SER CB C 147 62.105 62.105 63.008 -0.903 19699 654 1 . 1 1 147 147 SER H H 147 7.430 7.430 7.809 -0.380 19699 655 1 . 1 1 148 148 GLU N N 148 117.968 117.968 121.629 -3.661 19699 656 1 . 1 1 148 148 GLU C C 148 179.313 179.313 177.686 1.627 19699 657 1 . 1 1 148 148 GLU CA C 148 59.075 59.075 58.687 0.388 19699 658 1 . 1 1 148 148 GLU CB C 148 29.538 29.538 29.407 0.131 19699 659 1 . 1 1 148 148 GLU H H 148 9.216 9.216 8.222 0.994 19699 660 1 . 1 1 149 149 VAL N N 149 115.349 115.349 117.296 -1.947 19699 661 1 . 1 1 149 149 VAL C C 149 176.790 176.790 177.847 -1.057 19699 662 1 . 1 1 149 149 VAL CA C 149 63.864 63.864 64.540 -0.676 19699 663 1 . 1 1 149 149 VAL H H 149 7.325 7.325 7.637 -0.312 19699 664 1 . 1 1 150 150 LEU N N 150 119.724 119.724 120.780 -1.056 19699 665 1 . 1 1 150 150 LEU C C 150 178.010 178.010 177.939 0.071 19699 666 1 . 1 1 150 150 LEU CA C 150 57.209 57.209 57.536 -0.327 19699 667 1 . 1 1 150 150 LEU CB C 150 39.426 39.426 41.456 -2.030 19699 668 1 . 1 1 150 150 LEU H H 150 7.387 7.387 8.344 -0.957 19699 669 1 . 1 1 151 151 ASN N N 151 112.853 112.853 115.845 -2.992 19699 670 1 . 1 1 151 151 ASN C C 151 176.682 176.682 174.962 1.720 19699 671 1 . 1 1 151 151 ASN CA C 151 53.090 53.090 53.361 -0.271 19699 672 1 . 1 1 151 151 ASN CB C 151 38.296 38.296 38.530 -0.234 19699 673 1 . 1 1 151 151 ASN H H 151 7.593 7.593 7.729 -0.136 19699 674 1 . 1 1 152 152 LEU N N 152 122.057 122.057 122.315 -0.258 19699 675 1 . 1 1 152 152 LEU CA C 152 53.453 53.453 52.569 0.884 19699 676 1 . 1 1 152 152 LEU CB C 152 39.589 39.589 41.536 -1.947 19699 677 1 . 1 1 152 152 LEU H H 152 7.193 7.193 7.573 -0.380 19699 678 1 . 1 1 153 153 PRO C C 153 177.670 177.670 175.620 2.050 19699 679 1 . 1 1 154 154 ASN N N 154 121.894 121.894 119.559 2.335 19699 680 1 . 1 1 154 154 ASN C C 154 176.786 176.786 175.055 1.731 19699 681 1 . 1 1 154 154 ASN CA C 154 52.757 52.757 53.394 -0.637 19699 682 1 . 1 1 154 154 ASN CB C 154 37.829 37.829 39.462 -1.633 19699 683 1 . 1 1 154 154 ASN H H 154 8.824 8.824 8.518 0.306 19699 684 1 . 1 1 155 155 TYR N N 155 124.386 124.386 124.706 -0.320 19699 685 1 . 1 1 155 155 TYR C C 155 173.048 173.048 173.821 -0.773 19699 686 1 . 1 1 155 155 TYR CA C 155 55.723 55.723 58.241 -2.518 19699 687 1 . 1 1 155 155 TYR CB C 155 39.711 39.711 40.968 -1.257 19699 688 1 . 1 1 155 155 TYR H H 155 8.245 8.245 8.516 -0.271 19699 stop_ save_