data_19444 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19444 _Entry.PDB_ID 2MCK 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 19444 _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 59 59 ALA N N 59 123.352 123.352 125.386 -2.034 19444 2 1 1 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.603 -0.319 19444 3 1 1 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.903 0.393 19444 4 1 1 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.886 -1.253 19444 5 1 1 . 1 1 59 59 ALA H H 59 7.997 7.997 8.314 -0.317 19444 6 1 1 . 1 1 60 60 LEU N N 60 120.985 120.985 121.359 -0.374 19444 7 1 1 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.459 -0.006 19444 8 1 1 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.522 -0.235 19444 9 1 1 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.150 0.105 19444 10 1 1 . 1 1 60 60 LEU H H 60 8.169 8.169 8.384 -0.215 19444 11 1 1 . 1 1 61 61 ALA N N 61 125.303 125.303 125.552 -0.249 19444 12 1 1 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.540 -0.043 19444 13 1 1 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.824 0.403 19444 14 1 1 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.436 -0.259 19444 15 1 1 . 1 1 61 61 ALA H H 61 8.445 8.445 8.198 0.247 19444 16 1 1 . 1 1 62 62 ALA N N 62 127.804 127.804 126.752 1.052 19444 17 1 1 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.609 -0.293 19444 18 1 1 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.434 0.576 19444 19 1 1 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.760 -0.775 19444 20 1 1 . 1 1 62 62 ALA H H 62 8.583 8.583 9.053 -0.470 19444 21 1 1 . 1 1 63 63 LEU N N 63 120.096 120.096 122.063 -1.967 19444 22 1 1 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.000 -0.116 19444 23 1 1 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.809 -0.917 19444 24 1 1 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.223 -1.091 19444 25 1 1 . 1 1 63 63 LEU H H 63 8.077 8.077 8.296 -0.219 19444 26 1 1 . 1 1 64 64 HIS N N 64 122.245 122.245 118.929 3.316 19444 27 1 1 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.592 -0.352 19444 28 1 1 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.061 0.965 19444 29 1 1 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.453 -0.115 19444 30 1 1 . 1 1 64 64 HIS H H 64 8.629 8.629 8.710 -0.081 19444 31 1 1 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.303 0.047 19444 32 1 1 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.133 0.216 19444 33 1 1 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.709 0.009 19444 34 1 1 . 1 1 66 66 ASP N N 66 115.211 115.211 115.103 0.108 19444 35 1 1 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.733 -0.044 19444 36 1 1 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.252 -0.730 19444 37 1 1 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.786 -0.035 19444 38 1 1 . 1 1 66 66 ASP H H 66 7.869 7.869 7.793 0.076 19444 39 1 1 . 1 1 67 67 GLY N N 67 105.349 105.349 109.742 -4.393 19444 40 1 1 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.061 0.205 19444 41 1 1 . 1 1 67 67 GLY H H 67 8.441 8.441 8.378 0.063 19444 42 1 1 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.252 -0.133 19444 43 1 1 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.988 -0.784 19444 44 1 1 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.606 -0.085 19444 45 1 1 . 1 1 69 69 HIS N N 69 116.893 116.893 115.352 1.541 19444 46 1 1 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.725 -0.040 19444 47 1 1 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.638 0.348 19444 48 1 1 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.325 0.152 19444 49 1 1 . 1 1 69 69 HIS H H 69 8.503 8.503 8.115 0.388 19444 50 1 1 . 1 1 70 70 ALA N N 70 120.705 120.705 122.019 -1.314 19444 51 1 1 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444 52 1 1 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.684 0.094 19444 53 1 1 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.277 -0.077 19444 54 1 1 . 1 1 70 70 ALA H H 70 6.892 6.892 7.497 -0.605 19444 55 1 1 . 1 1 71 71 GLY N N 71 109.407 109.407 112.569 -3.162 19444 56 1 1 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.994 0.352 19444 57 1 1 . 1 1 71 71 GLY H H 71 9.144 9.144 8.980 0.164 19444 58 1 1 . 1 1 72 72 LEU N N 72 119.969 119.969 122.795 -2.826 19444 59 1 1 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.676 0.184 19444 60 1 1 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.123 -0.047 19444 61 1 1 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.547 -0.083 19444 62 1 1 . 1 1 72 72 LEU H H 72 8.255 8.255 8.119 0.136 19444 63 1 1 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.647 0.191 19444 64 1 1 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.790 -1.280 19444 65 1 1 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.186 -0.779 19444 66 1 1 . 1 1 74 74 VAL N N 74 121.438 121.438 119.911 1.527 19444 67 1 1 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.923 -0.434 19444 68 1 1 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.345 1.308 19444 69 1 1 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.261 -0.938 19444 70 1 1 . 1 1 74 74 VAL H H 74 7.729 7.729 8.364 -0.635 19444 71 1 1 . 1 1 75 75 THR N N 75 108.826 108.826 109.163 -0.337 19444 72 1 1 . 1 1 75 75 THR HA H 75 5.015 5.015 4.564 0.451 19444 73 1 1 . 1 1 75 75 THR CA C 75 59.822 59.822 59.180 0.642 19444 74 1 1 . 1 1 75 75 THR CB C 75 74.087 74.087 71.762 2.325 19444 75 1 1 . 1 1 75 75 THR H H 75 8.763 8.763 8.100 0.663 19444 76 1 1 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.762 0.168 19444 77 1 1 . 1 1 77 77 SER N N 77 114.493 114.493 114.454 0.039 19444 78 1 1 . 1 1 77 77 SER HA H 77 4.133 4.133 4.146 -0.013 19444 79 1 1 . 1 1 77 77 SER CA C 77 60.600 60.600 61.599 -0.999 19444 80 1 1 . 1 1 77 77 SER CB C 77 62.378 62.378 62.900 -0.522 19444 81 1 1 . 1 1 77 77 SER H H 77 8.231 8.231 7.911 0.320 19444 82 1 1 . 1 1 78 78 ASP N N 78 120.698 120.698 122.794 -2.096 19444 83 1 1 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.294 0.114 19444 84 1 1 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.487 0.592 19444 85 1 1 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.402 2.932 19444 86 1 1 . 1 1 78 78 ASP H H 78 7.388 7.388 8.039 -0.651 19444 87 1 1 . 1 1 79 79 ALA N N 79 120.570 120.570 122.593 -2.023 19444 88 1 1 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.845 -0.121 19444 89 1 1 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.081 -0.180 19444 90 1 1 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.183 1.563 19444 91 1 1 . 1 1 79 79 ALA H H 79 7.873 7.873 8.258 -0.386 19444 92 1 1 . 1 1 80 80 ARG N N 80 116.347 116.347 118.979 -2.632 19444 93 1 1 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.942 -0.134 19444 94 1 1 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.506 2.061 19444 95 1 1 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.201 0.230 19444 96 1 1 . 1 1 80 80 ARG H H 80 8.117 8.117 8.083 0.034 19444 97 1 1 . 1 1 81 81 VAL N N 81 119.158 119.158 120.426 -1.268 19444 98 1 1 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.868 -0.200 19444 99 1 1 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.747 0.166 19444 100 1 1 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.747 0.025 19444 101 1 1 . 1 1 81 81 VAL H H 81 7.373 7.373 8.119 -0.746 19444 102 1 1 . 1 1 82 82 LEU N N 82 118.515 118.515 121.742 -3.227 19444 103 1 1 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.865 0.247 19444 104 1 1 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.687 -0.432 19444 105 1 1 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.909 -0.405 19444 106 1 1 . 1 1 82 82 LEU H H 82 7.589 7.589 8.366 -0.777 19444 107 1 1 . 1 1 83 83 ILE N N 83 121.181 121.181 119.323 1.858 19444 108 1 1 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.662 0.112 19444 109 1 1 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.800 0.031 19444 110 1 1 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.998 0.590 19444 111 1 1 . 1 1 83 83 ILE H H 83 8.755 8.755 8.286 0.469 19444 112 1 1 . 1 1 84 84 PHE N N 84 123.192 123.192 120.645 2.547 19444 113 1 1 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.129 0.033 19444 114 1 1 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.217 0.439 19444 115 1 1 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.215 -0.151 19444 116 1 1 . 1 1 84 84 PHE H H 84 8.683 8.683 8.724 -0.041 19444 117 1 1 . 1 1 85 85 ASN N N 85 118.056 118.056 118.558 -0.502 19444 118 1 1 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.295 0.170 19444 119 1 1 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.434 -0.287 19444 120 1 1 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.566 -0.663 19444 121 1 1 . 1 1 85 85 ASN H H 85 8.892 8.892 8.694 0.198 19444 122 1 1 . 1 1 86 86 ASP N N 86 120.374 120.374 120.986 -0.612 19444 123 1 1 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.352 0.100 19444 124 1 1 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.755 -0.458 19444 125 1 1 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.965 1.302 19444 126 1 1 . 1 1 86 86 ASP H H 86 8.146 8.146 8.366 -0.220 19444 127 1 1 . 1 1 87 87 TRP N N 87 121.401 121.401 121.632 -0.231 19444 128 1 1 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.110 -0.153 19444 129 1 1 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.919 -0.132 19444 130 1 1 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.582 -1.637 19444 131 1 1 . 1 1 87 87 TRP H H 87 8.121 8.121 8.500 -0.379 19444 132 1 1 . 1 1 88 88 GLU N N 88 117.779 117.779 118.095 -0.316 19444 133 1 1 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.161 -0.215 19444 134 1 1 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.721 -0.051 19444 135 1 1 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.965 0.575 19444 136 1 1 . 1 1 88 88 GLU H H 88 8.613 8.613 8.448 0.165 19444 137 1 1 . 1 1 89 89 GLU N N 89 116.209 116.209 119.815 -3.606 19444 138 1 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.871 0.130 19444 139 1 1 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.364 -0.874 19444 140 1 1 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444 141 1 1 . 1 1 89 89 GLU H H 89 7.456 7.456 7.976 -0.520 19444 142 1 1 . 1 1 90 90 ARG N N 90 119.957 119.957 118.421 1.536 19444 143 1 1 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.969 -0.016 19444 144 1 1 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.813 0.764 19444 145 1 1 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.651 2.080 19444 146 1 1 . 1 1 90 90 ARG H H 90 8.134 8.134 8.173 -0.039 19444 147 1 1 . 1 1 91 91 LYS N N 91 118.871 118.871 120.336 -1.465 19444 148 1 1 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.052 -0.380 19444 149 1 1 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.141 -0.431 19444 150 1 1 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.509 -1.004 19444 151 1 1 . 1 1 91 91 LYS H H 91 8.325 8.325 8.108 0.217 19444 152 1 1 . 1 1 92 92 ARG N N 92 117.453 117.453 118.686 -1.233 19444 153 1 1 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.950 -0.075 19444 154 1 1 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.433 0.448 19444 155 1 1 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.082 -0.298 19444 156 1 1 . 1 1 92 92 ARG H H 92 7.069 7.069 7.878 -0.809 19444 157 1 1 . 1 1 93 93 SER N N 93 110.842 110.842 113.839 -2.997 19444 158 1 1 . 1 1 93 93 SER HA H 93 4.513 4.513 4.225 0.288 19444 159 1 1 . 1 1 93 93 SER CA C 93 58.762 58.762 60.356 -1.594 19444 160 1 1 . 1 1 93 93 SER CB C 93 64.164 64.164 63.938 0.226 19444 161 1 1 . 1 1 93 93 SER H H 93 7.427 7.427 7.701 -0.274 19444 162 1 1 . 1 1 94 94 GLU N N 94 121.732 121.732 119.074 2.658 19444 163 1 1 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.037 -0.360 19444 164 1 1 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.651 0.235 19444 165 1 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.110 -0.056 19444 166 1 1 . 1 1 94 94 GLU H H 94 7.629 7.629 7.704 -0.075 19444 167 1 1 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.398 -0.090 19444 168 1 1 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.951 0.680 19444 169 1 1 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.041 -0.557 19444 170 1 1 . 1 1 96 96 TRP N N 96 115.321 115.321 116.185 -0.864 19444 171 1 1 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.721 -0.066 19444 172 1 1 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.240 2.526 19444 173 1 1 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.383 -0.367 19444 174 1 1 . 1 1 96 96 TRP H H 96 6.840 6.840 6.885 -0.045 19444 175 1 1 . 1 1 97 97 LEU N N 97 125.159 125.159 123.510 1.649 19444 176 1 1 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.264 -0.087 19444 177 1 1 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.088 1.011 19444 178 1 1 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.251 0.977 19444 179 1 1 . 1 1 97 97 LEU H H 97 7.287 7.287 7.293 -0.006 19444 180 1 1 . 1 1 98 98 ARG N N 98 128.515 128.515 127.955 0.560 19444 181 1 1 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.530 0.058 19444 182 1 1 . 1 1 98 98 ARG CA C 98 55.090 55.090 54.413 0.677 19444 183 1 1 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.095 0.241 19444 184 1 1 . 1 1 98 98 ARG H H 98 8.898 8.898 8.568 0.330 19444 185 1 1 . 1 1 99 99 LEU N N 99 127.834 127.834 123.831 4.003 19444 186 1 1 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.199 -0.603 19444 187 1 1 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.635 0.943 19444 188 1 1 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.238 -3.064 19444 189 1 1 . 1 1 99 99 LEU H H 99 8.362 8.362 8.082 0.280 19444 190 1 1 . 1 1 100 100 ASP N N 100 127.038 127.038 126.533 0.505 19444 191 1 1 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.551 0.161 19444 192 1 1 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.803 -0.789 19444 193 1 1 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.050 -0.652 19444 194 1 1 . 1 1 100 100 ASP H H 100 7.998 7.998 8.450 -0.452 19444 195 1 1 . 1 1 101 101 MET N N 101 122.551 122.551 119.177 3.374 19444 196 1 1 . 1 1 101 101 MET HA H 101 4.533 4.533 4.780 -0.247 19444 197 1 1 . 1 1 101 101 MET CA C 101 53.583 53.583 54.665 -1.082 19444 198 1 1 . 1 1 101 101 MET CB C 101 33.400 33.400 33.740 -0.340 19444 199 1 1 . 1 1 101 101 MET H H 101 8.761 8.761 8.012 0.749 19444 200 1 1 . 1 1 102 102 SER N N 102 116.261 116.261 116.777 -0.516 19444 201 1 1 . 1 1 102 102 SER HA H 102 4.191 4.191 4.377 -0.186 19444 202 1 1 . 1 1 102 102 SER CA C 102 58.655 58.655 58.158 0.497 19444 203 1 1 . 1 1 102 102 SER CB C 102 64.764 64.764 64.344 0.420 19444 204 1 1 . 1 1 102 102 SER H H 102 8.212 8.212 8.007 0.205 19444 205 1 1 . 1 1 103 103 ASP N N 103 121.700 121.700 123.101 -1.401 19444 206 1 1 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.085 -0.272 19444 207 1 1 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.450 -0.982 19444 208 1 1 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.399 -1.615 19444 209 1 1 . 1 1 103 103 ASP H H 103 8.791 8.791 8.901 -0.110 19444 210 1 1 . 1 1 104 104 LYS N N 104 116.308 116.308 119.441 -3.133 19444 211 1 1 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.167 -0.386 19444 212 1 1 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.982 0.857 19444 213 1 1 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.879 0.293 19444 214 1 1 . 1 1 104 104 LYS H H 104 7.886 7.886 8.194 -0.308 19444 215 1 1 . 1 1 105 105 ALA N N 105 122.364 122.364 122.056 0.308 19444 216 1 1 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.156 -0.196 19444 217 1 1 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.994 0.044 19444 218 1 1 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.270 -0.329 19444 219 1 1 . 1 1 105 105 ALA H H 105 7.343 7.343 7.808 -0.465 19444 220 1 1 . 1 1 106 106 ILE N N 106 119.713 119.713 119.239 0.474 19444 221 1 1 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.640 -0.162 19444 222 1 1 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.690 0.508 19444 223 1 1 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.756 -0.233 19444 224 1 1 . 1 1 106 106 ILE H H 106 8.124 8.124 8.178 -0.054 19444 225 1 1 . 1 1 107 107 PHE N N 107 117.557 117.557 118.649 -1.092 19444 226 1 1 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.624 -0.178 19444 227 1 1 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.561 -2.634 19444 228 1 1 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.989 -0.725 19444 229 1 1 . 1 1 107 107 PHE H H 107 8.448 8.448 8.004 0.444 19444 230 1 1 . 1 1 108 108 ARG N N 108 117.407 117.407 118.840 -1.433 19444 231 1 1 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.265 -0.182 19444 232 1 1 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.072 0.557 19444 233 1 1 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.950 0.510 19444 234 1 1 . 1 1 108 108 ARG H H 108 7.568 7.568 8.419 -0.851 19444 235 1 1 . 1 1 109 109 ARG N N 109 117.561 117.561 118.910 -1.349 19444 236 1 1 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.084 -0.086 19444 237 1 1 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.550 -0.995 19444 238 1 1 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.240 0.347 19444 239 1 1 . 1 1 109 109 ARG H H 109 7.281 7.281 8.012 -0.731 19444 240 1 1 . 1 1 110 110 TYR N N 110 116.115 116.115 117.298 -1.183 19444 241 1 1 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.120 0.208 19444 242 1 1 . 1 1 110 110 TYR CA C 110 54.502 54.502 54.922 -0.420 19444 243 1 1 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.307 -0.818 19444 244 1 1 . 1 1 110 110 TYR H H 110 8.877 8.877 8.258 0.619 19444 245 1 1 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.679 -0.200 19444 246 1 1 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.284 0.509 19444 247 1 1 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.113 -0.442 19444 248 1 1 . 1 1 112 112 HIS N N 112 116.277 116.277 116.973 -0.696 19444 249 1 1 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.515 -0.083 19444 250 1 1 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.600 0.874 19444 251 1 1 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.097 0.724 19444 252 1 1 . 1 1 112 112 HIS H H 112 8.300 8.300 8.463 -0.163 19444 253 1 1 . 1 1 113 113 LEU N N 113 120.770 120.770 119.237 1.533 19444 254 1 1 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.118 -0.017 19444 255 1 1 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.657 -1.454 19444 256 1 1 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.682 1.195 19444 257 1 1 . 1 1 113 113 LEU H H 113 7.518 7.518 7.183 0.335 19444 258 1 2 . 1 1 59 59 ALA N N 59 123.352 123.352 125.530 -2.178 19444 259 1 2 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.575 -0.291 19444 260 1 2 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.986 0.310 19444 261 1 2 . 1 1 59 59 ALA CB C 59 19.633 19.633 21.169 -1.536 19444 262 1 2 . 1 1 59 59 ALA H H 59 7.997 7.997 8.466 -0.469 19444 263 1 2 . 1 1 60 60 LEU N N 60 120.985 120.985 120.857 0.128 19444 264 1 2 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.366 0.087 19444 265 1 2 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.874 -0.588 19444 266 1 2 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.833 0.422 19444 267 1 2 . 1 1 60 60 LEU H H 60 8.169 8.169 8.361 -0.192 19444 268 1 2 . 1 1 61 61 ALA N N 61 125.303 125.303 124.568 0.735 19444 269 1 2 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.596 -0.099 19444 270 1 2 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.690 0.537 19444 271 1 2 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.531 -1.355 19444 272 1 2 . 1 1 61 61 ALA H H 61 8.445 8.445 8.000 0.445 19444 273 1 2 . 1 1 62 62 ALA N N 62 127.804 127.804 125.961 1.843 19444 274 1 2 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.641 -0.325 19444 275 1 2 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.222 0.787 19444 276 1 2 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.854 -0.869 19444 277 1 2 . 1 1 62 62 ALA H H 62 8.583 8.583 9.027 -0.444 19444 278 1 2 . 1 1 63 63 LEU N N 63 120.096 120.096 121.488 -1.392 19444 279 1 2 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.983 -0.099 19444 280 1 2 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.822 -0.930 19444 281 1 2 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.301 -1.169 19444 282 1 2 . 1 1 63 63 LEU H H 63 8.077 8.077 8.236 -0.159 19444 283 1 2 . 1 1 64 64 HIS N N 64 122.245 122.245 119.147 3.098 19444 284 1 2 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.603 -0.363 19444 285 1 2 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.003 1.023 19444 286 1 2 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.275 0.063 19444 287 1 2 . 1 1 64 64 HIS H H 64 8.629 8.629 8.714 -0.085 19444 288 1 2 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.283 0.067 19444 289 1 2 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.265 0.084 19444 290 1 2 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.670 0.048 19444 291 1 2 . 1 1 66 66 ASP N N 66 115.211 115.211 114.874 0.337 19444 292 1 2 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444 293 1 2 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444 294 1 2 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.836 -0.085 19444 295 1 2 . 1 1 66 66 ASP H H 66 7.869 7.869 7.798 0.071 19444 296 1 2 . 1 1 67 67 GLY N N 67 105.349 105.349 109.716 -4.367 19444 297 1 2 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.018 0.248 19444 298 1 2 . 1 1 67 67 GLY H H 67 8.441 8.441 8.368 0.073 19444 299 1 2 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.245 -0.126 19444 300 1 2 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.001 -0.797 19444 301 1 2 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.095 19444 302 1 2 . 1 1 69 69 HIS N N 69 116.893 116.893 115.440 1.453 19444 303 1 2 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.729 -0.044 19444 304 1 2 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.638 0.348 19444 305 1 2 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.303 0.174 19444 306 1 2 . 1 1 69 69 HIS H H 69 8.503 8.503 8.180 0.323 19444 307 1 2 . 1 1 70 70 ALA N N 70 120.705 120.705 122.010 -1.305 19444 308 1 2 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.119 -0.552 19444 309 1 2 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.694 0.085 19444 310 1 2 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.291 -0.091 19444 311 1 2 . 1 1 70 70 ALA H H 70 6.892 6.892 7.424 -0.532 19444 312 1 2 . 1 1 71 71 GLY N N 71 109.407 109.407 113.874 -4.467 19444 313 1 2 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.997 0.349 19444 314 1 2 . 1 1 71 71 GLY H H 71 9.144 9.144 9.031 0.113 19444 315 1 2 . 1 1 72 72 LEU N N 72 119.969 119.969 121.839 -1.870 19444 316 1 2 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.781 0.079 19444 317 1 2 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.548 -0.472 19444 318 1 2 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.725 -0.261 19444 319 1 2 . 1 1 72 72 LEU H H 72 8.255 8.255 8.209 0.046 19444 320 1 2 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.679 0.159 19444 321 1 2 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.809 -1.299 19444 322 1 2 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.192 -0.785 19444 323 1 2 . 1 1 74 74 VAL N N 74 121.438 121.438 120.008 1.430 19444 324 1 2 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.917 -0.428 19444 325 1 2 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.055 1.598 19444 326 1 2 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.147 -0.824 19444 327 1 2 . 1 1 74 74 VAL H H 74 7.729 7.729 8.251 -0.522 19444 328 1 2 . 1 1 75 75 THR N N 75 108.826 108.826 108.800 0.026 19444 329 1 2 . 1 1 75 75 THR HA H 75 5.015 5.015 4.560 0.455 19444 330 1 2 . 1 1 75 75 THR CA C 75 59.822 59.822 59.200 0.622 19444 331 1 2 . 1 1 75 75 THR CB C 75 74.087 74.087 71.841 2.246 19444 332 1 2 . 1 1 75 75 THR H H 75 8.763 8.763 8.051 0.712 19444 333 1 2 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.769 0.161 19444 334 1 2 . 1 1 77 77 SER N N 77 114.493 114.493 113.621 0.872 19444 335 1 2 . 1 1 77 77 SER HA H 77 4.133 4.133 4.138 -0.005 19444 336 1 2 . 1 1 77 77 SER CA C 77 60.600 60.600 61.044 -0.444 19444 337 1 2 . 1 1 77 77 SER CB C 77 62.378 62.378 62.774 -0.396 19444 338 1 2 . 1 1 77 77 SER H H 77 8.231 8.231 8.310 -0.079 19444 339 1 2 . 1 1 78 78 ASP N N 78 120.698 120.698 124.001 -3.303 19444 340 1 2 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.277 0.131 19444 341 1 2 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.419 0.660 19444 342 1 2 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.378 2.956 19444 343 1 2 . 1 1 78 78 ASP H H 78 7.388 7.388 8.202 -0.814 19444 344 1 2 . 1 1 79 79 ALA N N 79 120.570 120.570 122.393 -1.823 19444 345 1 2 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.779 -0.055 19444 346 1 2 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.091 -0.190 19444 347 1 2 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.166 1.579 19444 348 1 2 . 1 1 79 79 ALA H H 79 7.873 7.873 8.192 -0.319 19444 349 1 2 . 1 1 80 80 ARG N N 80 116.347 116.347 119.003 -2.656 19444 350 1 2 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444 351 1 2 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.325 2.242 19444 352 1 2 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.308 0.123 19444 353 1 2 . 1 1 80 80 ARG H H 80 8.117 8.117 7.904 0.213 19444 354 1 2 . 1 1 81 81 VAL N N 81 119.158 119.158 120.063 -0.905 19444 355 1 2 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.809 -0.141 19444 356 1 2 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.875 0.038 19444 357 1 2 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.589 0.183 19444 358 1 2 . 1 1 81 81 VAL H H 81 7.373 7.373 8.252 -0.879 19444 359 1 2 . 1 1 82 82 LEU N N 82 118.515 118.515 121.299 -2.784 19444 360 1 2 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.863 0.249 19444 361 1 2 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.624 -0.369 19444 362 1 2 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.512 -0.008 19444 363 1 2 . 1 1 82 82 LEU H H 82 7.589 7.589 8.353 -0.764 19444 364 1 2 . 1 1 83 83 ILE N N 83 121.181 121.181 119.482 1.699 19444 365 1 2 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.662 0.112 19444 366 1 2 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.629 0.202 19444 367 1 2 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.905 0.683 19444 368 1 2 . 1 1 83 83 ILE H H 83 8.755 8.755 8.200 0.555 19444 369 1 2 . 1 1 84 84 PHE N N 84 123.192 123.192 121.045 2.147 19444 370 1 2 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.115 0.047 19444 371 1 2 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.577 0.079 19444 372 1 2 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.123 -0.059 19444 373 1 2 . 1 1 84 84 PHE H H 84 8.683 8.683 8.596 0.087 19444 374 1 2 . 1 1 85 85 ASN N N 85 118.056 118.056 117.796 0.260 19444 375 1 2 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.336 0.129 19444 376 1 2 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.038 0.109 19444 377 1 2 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.734 0.169 19444 378 1 2 . 1 1 85 85 ASN H H 85 8.892 8.892 8.606 0.286 19444 379 1 2 . 1 1 86 86 ASP N N 86 120.374 120.374 121.841 -1.467 19444 380 1 2 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.428 0.024 19444 381 1 2 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.891 -0.593 19444 382 1 2 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.876 1.391 19444 383 1 2 . 1 1 86 86 ASP H H 86 8.146 8.146 8.533 -0.387 19444 384 1 2 . 1 1 87 87 TRP N N 87 121.401 121.401 121.629 -0.228 19444 385 1 2 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.126 -0.169 19444 386 1 2 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.759 0.028 19444 387 1 2 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.550 -1.605 19444 388 1 2 . 1 1 87 87 TRP H H 87 8.121 8.121 8.627 -0.506 19444 389 1 2 . 1 1 88 88 GLU N N 88 117.779 117.779 117.671 0.108 19444 390 1 2 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.220 -0.274 19444 391 1 2 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.861 -0.191 19444 392 1 2 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.968 0.572 19444 393 1 2 . 1 1 88 88 GLU H H 88 8.613 8.613 8.408 0.205 19444 394 1 2 . 1 1 89 89 GLU N N 89 116.209 116.209 120.458 -4.249 19444 395 1 2 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444 396 1 2 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.319 -0.829 19444 397 1 2 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.511 0.377 19444 398 1 2 . 1 1 89 89 GLU H H 89 7.456 7.456 8.017 -0.561 19444 399 1 2 . 1 1 90 90 ARG N N 90 119.957 119.957 118.529 1.428 19444 400 1 2 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.925 0.028 19444 401 1 2 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.844 -0.267 19444 402 1 2 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.942 1.789 19444 403 1 2 . 1 1 90 90 ARG H H 90 8.134 8.134 8.395 -0.261 19444 404 1 2 . 1 1 91 91 LYS N N 91 118.871 118.871 120.275 -1.404 19444 405 1 2 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.002 -0.330 19444 406 1 2 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.731 -1.021 19444 407 1 2 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.655 -1.150 19444 408 1 2 . 1 1 91 91 LYS H H 91 8.325 8.325 8.148 0.177 19444 409 1 2 . 1 1 92 92 ARG N N 92 117.453 117.453 118.544 -1.091 19444 410 1 2 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.930 -0.055 19444 411 1 2 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.455 0.426 19444 412 1 2 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.112 -0.327 19444 413 1 2 . 1 1 92 92 ARG H H 92 7.069 7.069 7.744 -0.675 19444 414 1 2 . 1 1 93 93 SER N N 93 110.842 110.842 113.917 -3.075 19444 415 1 2 . 1 1 93 93 SER HA H 93 4.513 4.513 4.236 0.277 19444 416 1 2 . 1 1 93 93 SER CA C 93 58.762 58.762 60.400 -1.638 19444 417 1 2 . 1 1 93 93 SER CB C 93 64.164 64.164 63.988 0.176 19444 418 1 2 . 1 1 93 93 SER H H 93 7.427 7.427 7.713 -0.286 19444 419 1 2 . 1 1 94 94 GLU N N 94 121.732 121.732 118.856 2.876 19444 420 1 2 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.038 -0.361 19444 421 1 2 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.823 0.063 19444 422 1 2 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.480 -0.426 19444 423 1 2 . 1 1 94 94 GLU H H 94 7.629 7.629 7.726 -0.097 19444 424 1 2 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.371 -0.063 19444 425 1 2 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.112 0.519 19444 426 1 2 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.861 -0.377 19444 427 1 2 . 1 1 96 96 TRP N N 96 115.321 115.321 117.237 -1.916 19444 428 1 2 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.773 -0.118 19444 429 1 2 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.636 3.130 19444 430 1 2 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.367 -0.351 19444 431 1 2 . 1 1 96 96 TRP H H 96 6.840 6.840 6.936 -0.096 19444 432 1 2 . 1 1 97 97 LEU N N 97 125.159 125.159 124.094 1.065 19444 433 1 2 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.617 -0.440 19444 434 1 2 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.533 1.566 19444 435 1 2 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.077 1.151 19444 436 1 2 . 1 1 97 97 LEU H H 97 7.287 7.287 7.249 0.038 19444 437 1 2 . 1 1 98 98 ARG N N 98 128.515 128.515 127.558 0.957 19444 438 1 2 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.651 -0.063 19444 439 1 2 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.453 -0.363 19444 440 1 2 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.338 -0.002 19444 441 1 2 . 1 1 98 98 ARG H H 98 8.898 8.898 8.622 0.276 19444 442 1 2 . 1 1 99 99 LEU N N 99 127.834 127.834 124.393 3.441 19444 443 1 2 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.270 -0.674 19444 444 1 2 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.125 0.453 19444 445 1 2 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.020 -2.846 19444 446 1 2 . 1 1 99 99 LEU H H 99 8.362 8.362 8.438 -0.076 19444 447 1 2 . 1 1 100 100 ASP N N 100 127.038 127.038 127.756 -0.718 19444 448 1 2 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.974 -0.262 19444 449 1 2 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.210 -1.196 19444 450 1 2 . 1 1 100 100 ASP CB C 100 41.398 41.398 44.431 -3.033 19444 451 1 2 . 1 1 100 100 ASP H H 100 7.998 7.998 8.543 -0.545 19444 452 1 2 . 1 1 101 101 MET N N 101 122.551 122.551 117.785 4.766 19444 453 1 2 . 1 1 101 101 MET HA H 101 4.533 4.533 4.679 -0.146 19444 454 1 2 . 1 1 101 101 MET CA C 101 53.583 53.583 54.695 -1.112 19444 455 1 2 . 1 1 101 101 MET CB C 101 33.400 33.400 34.069 -0.669 19444 456 1 2 . 1 1 101 101 MET H H 101 8.761 8.761 8.796 -0.035 19444 457 1 2 . 1 1 102 102 SER N N 102 116.261 116.261 116.837 -0.576 19444 458 1 2 . 1 1 102 102 SER HA H 102 4.191 4.191 3.941 0.250 19444 459 1 2 . 1 1 102 102 SER CA C 102 58.655 58.655 57.607 1.048 19444 460 1 2 . 1 1 102 102 SER CB C 102 64.764 64.764 65.149 -0.385 19444 461 1 2 . 1 1 102 102 SER H H 102 8.212 8.212 7.750 0.462 19444 462 1 2 . 1 1 103 103 ASP N N 103 121.700 121.700 120.949 0.751 19444 463 1 2 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.935 -0.122 19444 464 1 2 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.340 0.128 19444 465 1 2 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.891 -1.107 19444 466 1 2 . 1 1 103 103 ASP H H 103 8.791 8.791 8.510 0.281 19444 467 1 2 . 1 1 104 104 LYS N N 104 116.308 116.308 119.788 -3.480 19444 468 1 2 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.184 -0.403 19444 469 1 2 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.131 0.708 19444 470 1 2 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.127 0.045 19444 471 1 2 . 1 1 104 104 LYS H H 104 7.886 7.886 8.197 -0.311 19444 472 1 2 . 1 1 105 105 ALA N N 105 122.364 122.364 122.768 -0.404 19444 473 1 2 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.046 -0.086 19444 474 1 2 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.208 -0.170 19444 475 1 2 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.259 -0.318 19444 476 1 2 . 1 1 105 105 ALA H H 105 7.343 7.343 7.565 -0.222 19444 477 1 2 . 1 1 106 106 ILE N N 106 119.713 119.713 119.082 0.631 19444 478 1 2 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.743 -0.265 19444 479 1 2 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.412 2.786 19444 480 1 2 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.332 1.191 19444 481 1 2 . 1 1 106 106 ILE H H 106 8.124 8.124 8.468 -0.344 19444 482 1 2 . 1 1 107 107 PHE N N 107 117.557 117.557 118.595 -1.038 19444 483 1 2 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.628 -0.182 19444 484 1 2 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.417 -2.490 19444 485 1 2 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.859 -0.596 19444 486 1 2 . 1 1 107 107 PHE H H 107 8.448 8.448 8.210 0.238 19444 487 1 2 . 1 1 108 108 ARG N N 108 117.407 117.407 119.138 -1.731 19444 488 1 2 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.183 -0.100 19444 489 1 2 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.261 0.368 19444 490 1 2 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.898 0.562 19444 491 1 2 . 1 1 108 108 ARG H H 108 7.568 7.568 8.506 -0.938 19444 492 1 2 . 1 1 109 109 ARG N N 109 117.561 117.561 116.081 1.480 19444 493 1 2 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.173 -0.175 19444 494 1 2 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.912 -0.357 19444 495 1 2 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.338 0.249 19444 496 1 2 . 1 1 109 109 ARG H H 109 7.281 7.281 7.937 -0.656 19444 497 1 2 . 1 1 110 110 TYR N N 110 116.115 116.115 117.606 -1.491 19444 498 1 2 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.096 0.232 19444 499 1 2 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.294 -0.792 19444 500 1 2 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.179 -0.691 19444 501 1 2 . 1 1 110 110 TYR H H 110 8.877 8.877 8.309 0.568 19444 502 1 2 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.650 -0.171 19444 503 1 2 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.309 0.484 19444 504 1 2 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.088 -0.417 19444 505 1 2 . 1 1 112 112 HIS N N 112 116.277 116.277 117.084 -0.807 19444 506 1 2 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.522 -0.090 19444 507 1 2 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.680 0.794 19444 508 1 2 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.191 0.630 19444 509 1 2 . 1 1 112 112 HIS H H 112 8.300 8.300 8.507 -0.207 19444 510 1 2 . 1 1 113 113 LEU N N 113 120.770 120.770 119.411 1.359 19444 511 1 2 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.148 -0.047 19444 512 1 2 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.473 -1.270 19444 513 1 2 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.662 1.215 19444 514 1 2 . 1 1 113 113 LEU H H 113 7.518 7.518 7.189 0.329 19444 515 1 3 . 1 1 59 59 ALA N N 59 123.352 123.352 122.600 0.752 19444 516 1 3 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.779 -0.495 19444 517 1 3 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.091 0.205 19444 518 1 3 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.569 0.064 19444 519 1 3 . 1 1 59 59 ALA H H 59 7.997 7.997 8.159 -0.162 19444 520 1 3 . 1 1 60 60 LEU N N 60 120.985 120.985 122.136 -1.151 19444 521 1 3 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.321 0.132 19444 522 1 3 . 1 1 60 60 LEU CA C 60 54.287 54.287 55.212 -0.925 19444 523 1 3 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.499 0.756 19444 524 1 3 . 1 1 60 60 LEU H H 60 8.169 8.169 8.061 0.108 19444 525 1 3 . 1 1 61 61 ALA N N 61 125.303 125.303 126.625 -1.322 19444 526 1 3 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.712 -0.215 19444 527 1 3 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.787 0.440 19444 528 1 3 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.716 -1.540 19444 529 1 3 . 1 1 61 61 ALA H H 61 8.445 8.445 8.105 0.340 19444 530 1 3 . 1 1 62 62 ALA N N 62 127.804 127.804 126.158 1.646 19444 531 1 3 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.659 -0.343 19444 532 1 3 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.171 0.838 19444 533 1 3 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.904 -0.919 19444 534 1 3 . 1 1 62 62 ALA H H 62 8.583 8.583 9.109 -0.526 19444 535 1 3 . 1 1 63 63 LEU N N 63 120.096 120.096 121.282 -1.186 19444 536 1 3 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.996 -0.112 19444 537 1 3 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.814 -0.922 19444 538 1 3 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.415 -1.283 19444 539 1 3 . 1 1 63 63 LEU H H 63 8.077 8.077 8.229 -0.152 19444 540 1 3 . 1 1 64 64 HIS N N 64 122.245 122.245 118.624 3.621 19444 541 1 3 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.621 -0.381 19444 542 1 3 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.734 1.292 19444 543 1 3 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.711 -0.373 19444 544 1 3 . 1 1 64 64 HIS H H 64 8.629 8.629 8.655 -0.026 19444 545 1 3 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.335 0.015 19444 546 1 3 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.950 0.399 19444 547 1 3 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.592 0.126 19444 548 1 3 . 1 1 66 66 ASP N N 66 115.211 115.211 115.093 0.118 19444 549 1 3 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.670 0.019 19444 550 1 3 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.069 -0.547 19444 551 1 3 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.975 -0.224 19444 552 1 3 . 1 1 66 66 ASP H H 66 7.869 7.869 7.896 -0.028 19444 553 1 3 . 1 1 67 67 GLY N N 67 105.349 105.349 108.457 -3.108 19444 554 1 3 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.905 0.361 19444 555 1 3 . 1 1 67 67 GLY H H 67 8.441 8.441 8.498 -0.057 19444 556 1 3 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444 557 1 3 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.000 -0.796 19444 558 1 3 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.094 19444 559 1 3 . 1 1 69 69 HIS N N 69 116.893 116.893 115.404 1.489 19444 560 1 3 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.731 -0.046 19444 561 1 3 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.622 0.364 19444 562 1 3 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.288 0.188 19444 563 1 3 . 1 1 69 69 HIS H H 69 8.503 8.503 8.094 0.409 19444 564 1 3 . 1 1 70 70 ALA N N 70 120.705 120.705 122.012 -1.307 19444 565 1 3 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.113 -0.546 19444 566 1 3 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.676 0.103 19444 567 1 3 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.273 -0.073 19444 568 1 3 . 1 1 70 70 ALA H H 70 6.892 6.892 7.502 -0.610 19444 569 1 3 . 1 1 71 71 GLY N N 71 109.407 109.407 112.508 -3.101 19444 570 1 3 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.004 0.342 19444 571 1 3 . 1 1 71 71 GLY H H 71 9.144 9.144 8.968 0.176 19444 572 1 3 . 1 1 72 72 LEU N N 72 119.969 119.969 122.664 -2.695 19444 573 1 3 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.693 0.167 19444 574 1 3 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.010 0.066 19444 575 1 3 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.637 -0.173 19444 576 1 3 . 1 1 72 72 LEU H H 72 8.255 8.255 8.212 0.043 19444 577 1 3 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.692 0.146 19444 578 1 3 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.755 -1.245 19444 579 1 3 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.200 -0.793 19444 580 1 3 . 1 1 74 74 VAL N N 74 121.438 121.438 120.055 1.383 19444 581 1 3 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.943 -0.454 19444 582 1 3 . 1 1 74 74 VAL CA C 74 65.653 65.653 63.980 1.673 19444 583 1 3 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.185 -0.862 19444 584 1 3 . 1 1 74 74 VAL H H 74 7.729 7.729 8.259 -0.530 19444 585 1 3 . 1 1 75 75 THR N N 75 108.826 108.826 109.928 -1.102 19444 586 1 3 . 1 1 75 75 THR HA H 75 5.015 5.015 4.612 0.403 19444 587 1 3 . 1 1 75 75 THR CA C 75 59.822 59.822 59.227 0.595 19444 588 1 3 . 1 1 75 75 THR CB C 75 74.087 74.087 71.932 2.155 19444 589 1 3 . 1 1 75 75 THR H H 75 8.763 8.763 8.230 0.533 19444 590 1 3 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.804 0.126 19444 591 1 3 . 1 1 77 77 SER N N 77 114.493 114.493 115.188 -0.695 19444 592 1 3 . 1 1 77 77 SER HA H 77 4.133 4.133 4.138 -0.005 19444 593 1 3 . 1 1 77 77 SER CA C 77 60.600 60.600 62.020 -1.420 19444 594 1 3 . 1 1 77 77 SER CB C 77 62.378 62.378 62.777 -0.399 19444 595 1 3 . 1 1 77 77 SER H H 77 8.231 8.231 8.377 -0.146 19444 596 1 3 . 1 1 78 78 ASP N N 78 120.698 120.698 122.681 -1.983 19444 597 1 3 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.328 0.080 19444 598 1 3 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.389 0.690 19444 599 1 3 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.373 2.961 19444 600 1 3 . 1 1 78 78 ASP H H 78 7.388 7.388 8.017 -0.629 19444 601 1 3 . 1 1 79 79 ALA N N 79 120.570 120.570 122.625 -2.055 19444 602 1 3 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.821 -0.097 19444 603 1 3 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.117 -0.216 19444 604 1 3 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.227 1.519 19444 605 1 3 . 1 1 79 79 ALA H H 79 7.873 7.873 8.237 -0.364 19444 606 1 3 . 1 1 80 80 ARG N N 80 116.347 116.347 119.106 -2.759 19444 607 1 3 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.962 -0.154 19444 608 1 3 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.464 2.103 19444 609 1 3 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.351 0.080 19444 610 1 3 . 1 1 80 80 ARG H H 80 8.117 8.117 8.123 -0.006 19444 611 1 3 . 1 1 81 81 VAL N N 81 119.158 119.158 119.970 -0.812 19444 612 1 3 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.878 -0.210 19444 613 1 3 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.852 0.061 19444 614 1 3 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.678 0.094 19444 615 1 3 . 1 1 81 81 VAL H H 81 7.373 7.373 8.269 -0.896 19444 616 1 3 . 1 1 82 82 LEU N N 82 118.515 118.515 121.584 -3.069 19444 617 1 3 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.887 0.225 19444 618 1 3 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.618 -0.363 19444 619 1 3 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.537 -0.033 19444 620 1 3 . 1 1 82 82 LEU H H 82 7.589 7.589 8.336 -0.747 19444 621 1 3 . 1 1 83 83 ILE N N 83 121.181 121.181 119.406 1.775 19444 622 1 3 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.617 0.157 19444 623 1 3 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.660 0.171 19444 624 1 3 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.872 0.716 19444 625 1 3 . 1 1 83 83 ILE H H 83 8.755 8.755 8.233 0.522 19444 626 1 3 . 1 1 84 84 PHE N N 84 123.192 123.192 120.109 3.083 19444 627 1 3 . 1 1 84 84 PHE HA H 84 4.162 4.162 3.990 0.172 19444 628 1 3 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.011 0.645 19444 629 1 3 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.220 -0.156 19444 630 1 3 . 1 1 84 84 PHE H H 84 8.683 8.683 8.567 0.116 19444 631 1 3 . 1 1 85 85 ASN N N 85 118.056 118.056 118.505 -0.449 19444 632 1 3 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.479 -0.014 19444 633 1 3 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.224 -0.077 19444 634 1 3 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.715 -0.812 19444 635 1 3 . 1 1 85 85 ASN H H 85 8.892 8.892 8.635 0.257 19444 636 1 3 . 1 1 86 86 ASP N N 86 120.374 120.374 122.083 -1.709 19444 637 1 3 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.344 0.108 19444 638 1 3 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.219 -0.922 19444 639 1 3 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.928 1.339 19444 640 1 3 . 1 1 86 86 ASP H H 86 8.146 8.146 8.415 -0.269 19444 641 1 3 . 1 1 87 87 TRP N N 87 121.401 121.401 121.454 -0.053 19444 642 1 3 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.086 -0.129 19444 643 1 3 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.807 -0.021 19444 644 1 3 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.489 -1.543 19444 645 1 3 . 1 1 87 87 TRP H H 87 8.121 8.121 8.305 -0.184 19444 646 1 3 . 1 1 88 88 GLU N N 88 117.779 117.779 118.188 -0.409 19444 647 1 3 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.216 -0.270 19444 648 1 3 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.713 -0.043 19444 649 1 3 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.887 0.653 19444 650 1 3 . 1 1 88 88 GLU H H 88 8.613 8.613 8.415 0.198 19444 651 1 3 . 1 1 89 89 GLU N N 89 116.209 116.209 119.397 -3.188 19444 652 1 3 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.944 0.057 19444 653 1 3 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.097 -0.607 19444 654 1 3 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.433 0.455 19444 655 1 3 . 1 1 89 89 GLU H H 89 7.456 7.456 7.872 -0.416 19444 656 1 3 . 1 1 90 90 ARG N N 90 119.957 119.957 118.273 1.684 19444 657 1 3 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.936 0.017 19444 658 1 3 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.741 -0.164 19444 659 1 3 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.939 1.792 19444 660 1 3 . 1 1 90 90 ARG H H 90 8.134 8.134 8.334 -0.200 19444 661 1 3 . 1 1 91 91 LYS N N 91 118.871 118.871 120.527 -1.656 19444 662 1 3 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.009 -0.337 19444 663 1 3 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.626 -0.916 19444 664 1 3 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.645 -1.140 19444 665 1 3 . 1 1 91 91 LYS H H 91 8.325 8.325 8.133 0.192 19444 666 1 3 . 1 1 92 92 ARG N N 92 117.453 117.453 118.358 -0.905 19444 667 1 3 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.938 -0.063 19444 668 1 3 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.455 0.426 19444 669 1 3 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.036 -0.251 19444 670 1 3 . 1 1 92 92 ARG H H 92 7.069 7.069 7.835 -0.766 19444 671 1 3 . 1 1 93 93 SER N N 93 110.842 110.842 113.951 -3.109 19444 672 1 3 . 1 1 93 93 SER HA H 93 4.513 4.513 4.239 0.274 19444 673 1 3 . 1 1 93 93 SER CA C 93 58.762 58.762 60.265 -1.503 19444 674 1 3 . 1 1 93 93 SER CB C 93 64.164 64.164 63.841 0.323 19444 675 1 3 . 1 1 93 93 SER H H 93 7.427 7.427 7.795 -0.368 19444 676 1 3 . 1 1 94 94 GLU N N 94 121.732 121.732 119.243 2.489 19444 677 1 3 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.064 -0.387 19444 678 1 3 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.783 0.103 19444 679 1 3 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.487 -0.433 19444 680 1 3 . 1 1 94 94 GLU H H 94 7.629 7.629 7.865 -0.236 19444 681 1 3 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.366 -0.058 19444 682 1 3 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.197 0.434 19444 683 1 3 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.837 -0.353 19444 684 1 3 . 1 1 96 96 TRP N N 96 115.321 115.321 117.009 -1.688 19444 685 1 3 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.791 -0.136 19444 686 1 3 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.562 3.204 19444 687 1 3 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.396 -0.380 19444 688 1 3 . 1 1 96 96 TRP H H 96 6.840 6.840 6.860 -0.020 19444 689 1 3 . 1 1 97 97 LEU N N 97 125.159 125.159 123.334 1.825 19444 690 1 3 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.378 -0.201 19444 691 1 3 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.981 1.118 19444 692 1 3 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.171 1.057 19444 693 1 3 . 1 1 97 97 LEU H H 97 7.287 7.287 7.103 0.184 19444 694 1 3 . 1 1 98 98 ARG N N 98 128.515 128.515 128.325 0.190 19444 695 1 3 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.658 -0.070 19444 696 1 3 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.774 -0.684 19444 697 1 3 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.317 0.019 19444 698 1 3 . 1 1 98 98 ARG H H 98 8.898 8.898 8.566 0.332 19444 699 1 3 . 1 1 99 99 LEU N N 99 127.834 127.834 121.768 6.066 19444 700 1 3 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.226 -0.630 19444 701 1 3 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.138 0.440 19444 702 1 3 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.138 -2.964 19444 703 1 3 . 1 1 99 99 LEU H H 99 8.362 8.362 8.313 0.049 19444 704 1 3 . 1 1 100 100 ASP N N 100 127.038 127.038 126.046 0.992 19444 705 1 3 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.553 0.159 19444 706 1 3 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.730 -0.716 19444 707 1 3 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.112 -1.714 19444 708 1 3 . 1 1 100 100 ASP H H 100 7.998 7.998 8.321 -0.323 19444 709 1 3 . 1 1 101 101 MET N N 101 122.551 122.551 118.683 3.868 19444 710 1 3 . 1 1 101 101 MET HA H 101 4.533 4.533 4.400 0.133 19444 711 1 3 . 1 1 101 101 MET CA C 101 53.583 53.583 54.378 -0.795 19444 712 1 3 . 1 1 101 101 MET CB C 101 33.400 33.400 34.282 -0.881 19444 713 1 3 . 1 1 101 101 MET H H 101 8.761 8.761 6.235 2.526 19444 714 1 3 . 1 1 102 102 SER N N 102 116.261 116.261 115.840 0.421 19444 715 1 3 . 1 1 102 102 SER HA H 102 4.191 4.191 4.215 -0.024 19444 716 1 3 . 1 1 102 102 SER CA C 102 58.655 58.655 57.713 0.942 19444 717 1 3 . 1 1 102 102 SER CB C 102 64.764 64.764 65.112 -0.348 19444 718 1 3 . 1 1 102 102 SER H H 102 8.212 8.212 7.536 0.676 19444 719 1 3 . 1 1 103 103 ASP N N 103 121.700 121.700 122.722 -1.022 19444 720 1 3 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.932 -0.119 19444 721 1 3 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.877 -0.409 19444 722 1 3 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.337 -1.553 19444 723 1 3 . 1 1 103 103 ASP H H 103 8.791 8.791 8.742 0.049 19444 724 1 3 . 1 1 104 104 LYS N N 104 116.308 116.308 118.997 -2.689 19444 725 1 3 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.212 -0.431 19444 726 1 3 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.954 0.885 19444 727 1 3 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.624 0.548 19444 728 1 3 . 1 1 104 104 LYS H H 104 7.886 7.886 7.829 0.057 19444 729 1 3 . 1 1 105 105 ALA N N 105 122.364 122.364 122.476 -0.112 19444 730 1 3 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.079 -0.119 19444 731 1 3 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.908 0.130 19444 732 1 3 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.064 -0.123 19444 733 1 3 . 1 1 105 105 ALA H H 105 7.343 7.343 7.706 -0.363 19444 734 1 3 . 1 1 106 106 ILE N N 106 119.713 119.713 119.202 0.511 19444 735 1 3 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.603 -0.125 19444 736 1 3 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.702 0.496 19444 737 1 3 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.720 -0.197 19444 738 1 3 . 1 1 106 106 ILE H H 106 8.124 8.124 8.310 -0.186 19444 739 1 3 . 1 1 107 107 PHE N N 107 117.557 117.557 119.193 -1.636 19444 740 1 3 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.513 -0.067 19444 741 1 3 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.254 -2.327 19444 742 1 3 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.899 -0.635 19444 743 1 3 . 1 1 107 107 PHE H H 107 8.448 8.448 8.036 0.412 19444 744 1 3 . 1 1 108 108 ARG N N 108 117.407 117.407 118.444 -1.037 19444 745 1 3 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.145 -0.062 19444 746 1 3 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.843 -0.214 19444 747 1 3 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.247 0.213 19444 748 1 3 . 1 1 108 108 ARG H H 108 7.568 7.568 8.334 -0.766 19444 749 1 3 . 1 1 109 109 ARG N N 109 117.561 117.561 118.464 -0.903 19444 750 1 3 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.104 -0.106 19444 751 1 3 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.267 -0.712 19444 752 1 3 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.550 0.037 19444 753 1 3 . 1 1 109 109 ARG H H 109 7.281 7.281 7.884 -0.603 19444 754 1 3 . 1 1 110 110 TYR N N 110 116.115 116.115 117.414 -1.299 19444 755 1 3 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.099 0.229 19444 756 1 3 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.039 -0.537 19444 757 1 3 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.571 -1.082 19444 758 1 3 . 1 1 110 110 TYR H H 110 8.877 8.877 8.271 0.606 19444 759 1 3 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.569 -0.090 19444 760 1 3 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.394 0.399 19444 761 1 3 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.151 -0.480 19444 762 1 3 . 1 1 112 112 HIS N N 112 116.277 116.277 114.855 1.422 19444 763 1 3 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.436 -0.004 19444 764 1 3 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.147 1.327 19444 765 1 3 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.709 1.112 19444 766 1 3 . 1 1 112 112 HIS H H 112 8.300 8.300 8.475 -0.175 19444 767 1 3 . 1 1 113 113 LEU N N 113 120.770 120.770 119.576 1.194 19444 768 1 3 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.116 -0.015 19444 769 1 3 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.337 -1.134 19444 770 1 3 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.491 1.386 19444 771 1 3 . 1 1 113 113 LEU H H 113 7.518 7.518 7.070 0.448 19444 772 1 4 . 1 1 59 59 ALA N N 59 123.352 123.352 123.614 -0.262 19444 773 1 4 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.550 -0.266 19444 774 1 4 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.868 0.428 19444 775 1 4 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.017 -0.384 19444 776 1 4 . 1 1 59 59 ALA H H 59 7.997 7.997 7.798 0.199 19444 777 1 4 . 1 1 60 60 LEU N N 60 120.985 120.985 120.703 0.282 19444 778 1 4 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.429 0.024 19444 779 1 4 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.458 -0.171 19444 780 1 4 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.173 1.081 19444 781 1 4 . 1 1 60 60 LEU H H 60 8.169 8.169 8.252 -0.083 19444 782 1 4 . 1 1 61 61 ALA N N 61 125.303 125.303 125.272 0.031 19444 783 1 4 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.484 0.013 19444 784 1 4 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.932 0.295 19444 785 1 4 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.345 -0.169 19444 786 1 4 . 1 1 61 61 ALA H H 61 8.445 8.445 8.175 0.270 19444 787 1 4 . 1 1 62 62 ALA N N 62 127.804 127.804 126.365 1.439 19444 788 1 4 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.640 -0.324 19444 789 1 4 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.361 0.648 19444 790 1 4 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.782 -0.797 19444 791 1 4 . 1 1 62 62 ALA H H 62 8.583 8.583 9.066 -0.483 19444 792 1 4 . 1 1 63 63 LEU N N 63 120.096 120.096 122.154 -2.058 19444 793 1 4 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.124 19444 794 1 4 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.791 -0.899 19444 795 1 4 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.203 -1.071 19444 796 1 4 . 1 1 63 63 LEU H H 63 8.077 8.077 8.320 -0.243 19444 797 1 4 . 1 1 64 64 HIS N N 64 122.245 122.245 119.033 3.212 19444 798 1 4 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.593 -0.353 19444 799 1 4 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.096 0.930 19444 800 1 4 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.377 -0.039 19444 801 1 4 . 1 1 64 64 HIS H H 64 8.629 8.629 8.707 -0.078 19444 802 1 4 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.295 0.055 19444 803 1 4 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.222 0.127 19444 804 1 4 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.683 0.035 19444 805 1 4 . 1 1 66 66 ASP N N 66 115.211 115.211 114.952 0.259 19444 806 1 4 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.735 -0.046 19444 807 1 4 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.252 -0.730 19444 808 1 4 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.801 -0.050 19444 809 1 4 . 1 1 66 66 ASP H H 66 7.869 7.869 7.801 0.068 19444 810 1 4 . 1 1 67 67 GLY N N 67 105.349 105.349 109.694 -4.345 19444 811 1 4 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.033 0.233 19444 812 1 4 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444 813 1 4 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.256 -0.137 19444 814 1 4 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.985 -0.781 19444 815 1 4 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.617 -0.096 19444 816 1 4 . 1 1 69 69 HIS N N 69 116.893 116.893 115.411 1.482 19444 817 1 4 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.735 -0.050 19444 818 1 4 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.632 0.354 19444 819 1 4 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.317 0.160 19444 820 1 4 . 1 1 69 69 HIS H H 69 8.503 8.503 8.150 0.353 19444 821 1 4 . 1 1 70 70 ALA N N 70 120.705 120.705 122.009 -1.304 19444 822 1 4 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.111 -0.544 19444 823 1 4 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.702 0.077 19444 824 1 4 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.299 -0.099 19444 825 1 4 . 1 1 70 70 ALA H H 70 6.892 6.892 7.502 -0.610 19444 826 1 4 . 1 1 71 71 GLY N N 71 109.407 109.407 112.567 -3.160 19444 827 1 4 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.993 0.353 19444 828 1 4 . 1 1 71 71 GLY H H 71 9.144 9.144 8.997 0.147 19444 829 1 4 . 1 1 72 72 LEU N N 72 119.969 119.969 122.845 -2.876 19444 830 1 4 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.685 0.175 19444 831 1 4 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.147 -0.071 19444 832 1 4 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.582 -0.118 19444 833 1 4 . 1 1 72 72 LEU H H 72 8.255 8.255 8.218 0.037 19444 834 1 4 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.661 0.177 19444 835 1 4 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.794 -1.284 19444 836 1 4 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.210 -0.803 19444 837 1 4 . 1 1 74 74 VAL N N 74 121.438 121.438 120.182 1.256 19444 838 1 4 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.900 -0.411 19444 839 1 4 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.518 1.135 19444 840 1 4 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.204 -0.881 19444 841 1 4 . 1 1 74 74 VAL H H 74 7.729 7.729 8.368 -0.639 19444 842 1 4 . 1 1 75 75 THR N N 75 108.826 108.826 109.161 -0.335 19444 843 1 4 . 1 1 75 75 THR HA H 75 5.015 5.015 4.634 0.381 19444 844 1 4 . 1 1 75 75 THR CA C 75 59.822 59.822 59.090 0.732 19444 845 1 4 . 1 1 75 75 THR CB C 75 74.087 74.087 71.822 2.265 19444 846 1 4 . 1 1 75 75 THR H H 75 8.763 8.763 7.998 0.765 19444 847 1 4 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.646 0.284 19444 848 1 4 . 1 1 77 77 SER N N 77 114.493 114.493 114.397 0.096 19444 849 1 4 . 1 1 77 77 SER HA H 77 4.133 4.133 4.098 0.035 19444 850 1 4 . 1 1 77 77 SER CA C 77 60.600 60.600 61.709 -1.109 19444 851 1 4 . 1 1 77 77 SER CB C 77 62.378 62.378 62.841 -0.463 19444 852 1 4 . 1 1 77 77 SER H H 77 8.231 8.231 8.314 -0.083 19444 853 1 4 . 1 1 78 78 ASP N N 78 120.698 120.698 122.429 -1.731 19444 854 1 4 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.326 0.082 19444 855 1 4 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444 856 1 4 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.395 2.939 19444 857 1 4 . 1 1 78 78 ASP H H 78 7.388 7.388 8.005 -0.617 19444 858 1 4 . 1 1 79 79 ALA N N 79 120.570 120.570 122.751 -2.181 19444 859 1 4 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.865 -0.141 19444 860 1 4 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.170 -0.269 19444 861 1 4 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.182 1.564 19444 862 1 4 . 1 1 79 79 ALA H H 79 7.873 7.873 8.380 -0.507 19444 863 1 4 . 1 1 80 80 ARG N N 80 116.347 116.347 119.231 -2.884 19444 864 1 4 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.026 -0.218 19444 865 1 4 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.511 2.056 19444 866 1 4 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.302 0.129 19444 867 1 4 . 1 1 80 80 ARG H H 80 8.117 8.117 8.053 0.064 19444 868 1 4 . 1 1 81 81 VAL N N 81 119.158 119.158 119.960 -0.802 19444 869 1 4 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.873 -0.205 19444 870 1 4 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.991 -0.078 19444 871 1 4 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.742 0.029 19444 872 1 4 . 1 1 81 81 VAL H H 81 7.373 7.373 8.052 -0.679 19444 873 1 4 . 1 1 82 82 LEU N N 82 118.515 118.515 121.783 -3.268 19444 874 1 4 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.865 0.247 19444 875 1 4 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.685 -0.430 19444 876 1 4 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.917 -0.413 19444 877 1 4 . 1 1 82 82 LEU H H 82 7.589 7.589 8.312 -0.723 19444 878 1 4 . 1 1 83 83 ILE N N 83 121.181 121.181 119.221 1.960 19444 879 1 4 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.651 0.123 19444 880 1 4 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.775 0.056 19444 881 1 4 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.950 0.638 19444 882 1 4 . 1 1 83 83 ILE H H 83 8.755 8.755 8.216 0.539 19444 883 1 4 . 1 1 84 84 PHE N N 84 123.192 123.192 119.744 3.448 19444 884 1 4 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.102 0.060 19444 885 1 4 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.041 0.615 19444 886 1 4 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.272 -0.208 19444 887 1 4 . 1 1 84 84 PHE H H 84 8.683 8.683 8.562 0.121 19444 888 1 4 . 1 1 85 85 ASN N N 85 118.056 118.056 118.727 -0.671 19444 889 1 4 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.536 -0.071 19444 890 1 4 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.241 -0.094 19444 891 1 4 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.773 -0.870 19444 892 1 4 . 1 1 85 85 ASN H H 85 8.892 8.892 8.656 0.236 19444 893 1 4 . 1 1 86 86 ASP N N 86 120.374 120.374 121.894 -1.520 19444 894 1 4 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.375 0.077 19444 895 1 4 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.969 -0.672 19444 896 1 4 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.882 1.385 19444 897 1 4 . 1 1 86 86 ASP H H 86 8.146 8.146 8.478 -0.332 19444 898 1 4 . 1 1 87 87 TRP N N 87 121.401 121.401 121.234 0.167 19444 899 1 4 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.201 -0.244 19444 900 1 4 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.326 0.461 19444 901 1 4 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.664 -1.718 19444 902 1 4 . 1 1 87 87 TRP H H 87 8.121 8.121 8.211 -0.090 19444 903 1 4 . 1 1 88 88 GLU N N 88 117.779 117.779 117.858 -0.079 19444 904 1 4 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.271 -0.325 19444 905 1 4 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.475 0.195 19444 906 1 4 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.971 0.569 19444 907 1 4 . 1 1 88 88 GLU H H 88 8.613 8.613 8.414 0.199 19444 908 1 4 . 1 1 89 89 GLU N N 89 116.209 116.209 120.664 -4.455 19444 909 1 4 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.982 0.019 19444 910 1 4 . 1 1 89 89 GLU CA C 89 58.490 58.490 58.993 -0.503 19444 911 1 4 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.337 0.551 19444 912 1 4 . 1 1 89 89 GLU H H 89 7.456 7.456 8.019 -0.563 19444 913 1 4 . 1 1 90 90 ARG N N 90 119.957 119.957 117.998 1.959 19444 914 1 4 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.940 0.013 19444 915 1 4 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.292 0.285 19444 916 1 4 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.665 2.067 19444 917 1 4 . 1 1 90 90 ARG H H 90 8.134 8.134 8.406 -0.272 19444 918 1 4 . 1 1 91 91 LYS N N 91 118.871 118.871 120.526 -1.655 19444 919 1 4 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444 920 1 4 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.755 -1.045 19444 921 1 4 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.657 -1.152 19444 922 1 4 . 1 1 91 91 LYS H H 91 8.325 8.325 8.176 0.149 19444 923 1 4 . 1 1 92 92 ARG N N 92 117.453 117.453 118.368 -0.915 19444 924 1 4 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.938 -0.063 19444 925 1 4 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.405 0.476 19444 926 1 4 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.118 -0.333 19444 927 1 4 . 1 1 92 92 ARG H H 92 7.069 7.069 7.752 -0.683 19444 928 1 4 . 1 1 93 93 SER N N 93 110.842 110.842 114.062 -3.220 19444 929 1 4 . 1 1 93 93 SER HA H 93 4.513 4.513 4.242 0.271 19444 930 1 4 . 1 1 93 93 SER CA C 93 58.762 58.762 60.429 -1.667 19444 931 1 4 . 1 1 93 93 SER CB C 93 64.164 64.164 63.995 0.169 19444 932 1 4 . 1 1 93 93 SER H H 93 7.427 7.427 7.753 -0.326 19444 933 1 4 . 1 1 94 94 GLU N N 94 121.732 121.732 118.989 2.743 19444 934 1 4 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.075 -0.398 19444 935 1 4 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.715 0.171 19444 936 1 4 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.589 -0.535 19444 937 1 4 . 1 1 94 94 GLU H H 94 7.629 7.629 7.699 -0.070 19444 938 1 4 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.370 -0.062 19444 939 1 4 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.557 1.074 19444 940 1 4 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.061 -0.577 19444 941 1 4 . 1 1 96 96 TRP N N 96 115.321 115.321 116.272 -0.951 19444 942 1 4 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.711 -0.056 19444 943 1 4 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.135 1.631 19444 944 1 4 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.536 -0.520 19444 945 1 4 . 1 1 96 96 TRP H H 96 6.840 6.840 6.756 0.084 19444 946 1 4 . 1 1 97 97 LEU N N 97 125.159 125.159 124.184 0.975 19444 947 1 4 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.532 -0.355 19444 948 1 4 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.784 1.315 19444 949 1 4 . 1 1 97 97 LEU CB C 97 43.228 43.228 41.970 1.258 19444 950 1 4 . 1 1 97 97 LEU H H 97 7.287 7.287 7.182 0.105 19444 951 1 4 . 1 1 98 98 ARG N N 98 128.515 128.515 127.916 0.599 19444 952 1 4 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.560 0.028 19444 953 1 4 . 1 1 98 98 ARG CA C 98 55.090 55.090 54.952 0.139 19444 954 1 4 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.001 0.335 19444 955 1 4 . 1 1 98 98 ARG H H 98 8.898 8.898 8.676 0.222 19444 956 1 4 . 1 1 99 99 LEU N N 99 127.834 127.834 127.229 0.605 19444 957 1 4 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.234 -0.638 19444 958 1 4 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.628 0.950 19444 959 1 4 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.858 -2.683 19444 960 1 4 . 1 1 99 99 LEU H H 99 8.362 8.362 8.475 -0.113 19444 961 1 4 . 1 1 100 100 ASP N N 100 127.038 127.038 127.249 -0.211 19444 962 1 4 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.058 0.654 19444 963 1 4 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.446 -0.432 19444 964 1 4 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.381 -1.983 19444 965 1 4 . 1 1 100 100 ASP H H 100 7.998 7.998 8.393 -0.395 19444 966 1 4 . 1 1 101 101 MET N N 101 122.551 122.551 118.231 4.320 19444 967 1 4 . 1 1 101 101 MET HA H 101 4.533 4.533 4.594 -0.061 19444 968 1 4 . 1 1 101 101 MET CA C 101 53.583 53.583 54.878 -1.295 19444 969 1 4 . 1 1 101 101 MET CB C 101 33.400 33.400 33.988 -0.588 19444 970 1 4 . 1 1 101 101 MET H H 101 8.761 8.761 6.976 1.785 19444 971 1 4 . 1 1 102 102 SER N N 102 116.261 116.261 119.400 -3.139 19444 972 1 4 . 1 1 102 102 SER HA H 102 4.191 4.191 4.338 -0.147 19444 973 1 4 . 1 1 102 102 SER CA C 102 58.655 58.655 59.339 -0.684 19444 974 1 4 . 1 1 102 102 SER CB C 102 64.764 64.764 63.922 0.842 19444 975 1 4 . 1 1 102 102 SER H H 102 8.212 8.212 7.905 0.307 19444 976 1 4 . 1 1 103 103 ASP N N 103 121.700 121.700 124.111 -2.411 19444 977 1 4 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.144 -0.331 19444 978 1 4 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.197 -0.729 19444 979 1 4 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.950 -2.166 19444 980 1 4 . 1 1 103 103 ASP H H 103 8.791 8.791 9.057 -0.266 19444 981 1 4 . 1 1 104 104 LYS N N 104 116.308 116.308 119.329 -3.021 19444 982 1 4 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.149 -0.368 19444 983 1 4 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.168 0.671 19444 984 1 4 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.170 1.002 19444 985 1 4 . 1 1 104 104 LYS H H 104 7.886 7.886 8.318 -0.432 19444 986 1 4 . 1 1 105 105 ALA N N 105 122.364 122.364 122.304 0.060 19444 987 1 4 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.203 -0.243 19444 988 1 4 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.820 0.218 19444 989 1 4 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.956 -0.015 19444 990 1 4 . 1 1 105 105 ALA H H 105 7.343 7.343 7.141 0.202 19444 991 1 4 . 1 1 106 106 ILE N N 106 119.713 119.713 119.322 0.391 19444 992 1 4 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.594 -0.116 19444 993 1 4 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.647 0.551 19444 994 1 4 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.681 -0.158 19444 995 1 4 . 1 1 106 106 ILE H H 106 8.124 8.124 8.103 0.021 19444 996 1 4 . 1 1 107 107 PHE N N 107 117.557 117.557 118.369 -0.812 19444 997 1 4 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.582 -0.136 19444 998 1 4 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.834 -2.908 19444 999 1 4 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.189 -0.925 19444 1000 1 4 . 1 1 107 107 PHE H H 107 8.448 8.448 8.046 0.402 19444 1001 1 4 . 1 1 108 108 ARG N N 108 117.407 117.407 118.640 -1.233 19444 1002 1 4 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.260 -0.177 19444 1003 1 4 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.178 0.451 19444 1004 1 4 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.028 0.432 19444 1005 1 4 . 1 1 108 108 ARG H H 108 7.568 7.568 8.444 -0.876 19444 1006 1 4 . 1 1 109 109 ARG N N 109 117.561 117.561 118.511 -0.950 19444 1007 1 4 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.131 -0.133 19444 1008 1 4 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.364 -0.808 19444 1009 1 4 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.407 0.180 19444 1010 1 4 . 1 1 109 109 ARG H H 109 7.281 7.281 8.016 -0.735 19444 1011 1 4 . 1 1 110 110 TYR N N 110 116.115 116.115 117.652 -1.537 19444 1012 1 4 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.111 0.217 19444 1013 1 4 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.033 -0.531 19444 1014 1 4 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.269 -0.780 19444 1015 1 4 . 1 1 110 110 TYR H H 110 8.877 8.877 8.176 0.701 19444 1016 1 4 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.630 -0.151 19444 1017 1 4 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.423 0.370 19444 1018 1 4 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.127 -0.456 19444 1019 1 4 . 1 1 112 112 HIS N N 112 116.277 116.277 115.051 1.226 19444 1020 1 4 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.449 -0.017 19444 1021 1 4 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.287 1.187 19444 1022 1 4 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.754 1.067 19444 1023 1 4 . 1 1 112 112 HIS H H 112 8.300 8.300 8.477 -0.177 19444 1024 1 4 . 1 1 113 113 LEU N N 113 120.770 120.770 119.370 1.400 19444 1025 1 4 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.105 -0.004 19444 1026 1 4 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.469 -1.266 19444 1027 1 4 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.404 1.472 19444 1028 1 4 . 1 1 113 113 LEU H H 113 7.518 7.518 7.120 0.398 19444 1029 1 5 . 1 1 59 59 ALA N N 59 123.352 123.352 121.594 1.758 19444 1030 1 5 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.150 0.134 19444 1031 1 5 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.382 -0.086 19444 1032 1 5 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.284 0.349 19444 1033 1 5 . 1 1 59 59 ALA H H 59 7.997 7.997 8.132 -0.135 19444 1034 1 5 . 1 1 60 60 LEU N N 60 120.985 120.985 120.724 0.261 19444 1035 1 5 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.387 0.066 19444 1036 1 5 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.282 0.005 19444 1037 1 5 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.855 0.400 19444 1038 1 5 . 1 1 60 60 LEU H H 60 8.169 8.169 8.260 -0.091 19444 1039 1 5 . 1 1 61 61 ALA N N 61 125.303 125.303 124.179 1.124 19444 1040 1 5 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.468 0.029 19444 1041 1 5 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.175 0.052 19444 1042 1 5 . 1 1 61 61 ALA CB C 61 20.176 20.176 19.819 0.357 19444 1043 1 5 . 1 1 61 61 ALA H H 61 8.445 8.445 8.212 0.233 19444 1044 1 5 . 1 1 62 62 ALA N N 62 127.804 127.804 127.092 0.712 19444 1045 1 5 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.603 -0.287 19444 1046 1 5 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.263 0.746 19444 1047 1 5 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.882 -0.897 19444 1048 1 5 . 1 1 62 62 ALA H H 62 8.583 8.583 8.964 -0.381 19444 1049 1 5 . 1 1 63 63 LEU N N 63 120.096 120.096 121.632 -1.536 19444 1050 1 5 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.123 19444 1051 1 5 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.810 -0.918 19444 1052 1 5 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.375 -1.243 19444 1053 1 5 . 1 1 63 63 LEU H H 63 8.077 8.077 8.280 -0.203 19444 1054 1 5 . 1 1 64 64 HIS N N 64 122.245 122.245 118.743 3.502 19444 1055 1 5 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.632 -0.392 19444 1056 1 5 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.699 1.327 19444 1057 1 5 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.744 -0.406 19444 1058 1 5 . 1 1 64 64 HIS H H 64 8.629 8.629 8.680 -0.051 19444 1059 1 5 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.337 0.013 19444 1060 1 5 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.966 0.383 19444 1061 1 5 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.597 0.121 19444 1062 1 5 . 1 1 66 66 ASP N N 66 115.211 115.211 115.073 0.138 19444 1063 1 5 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.671 0.018 19444 1064 1 5 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.072 -0.550 19444 1065 1 5 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.968 -0.217 19444 1066 1 5 . 1 1 66 66 ASP H H 66 7.869 7.869 7.901 -0.032 19444 1067 1 5 . 1 1 67 67 GLY N N 67 105.349 105.349 108.446 -3.097 19444 1068 1 5 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.906 0.360 19444 1069 1 5 . 1 1 67 67 GLY H H 67 8.441 8.441 8.498 -0.057 19444 1070 1 5 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444 1071 1 5 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.998 -0.794 19444 1072 1 5 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.610 -0.089 19444 1073 1 5 . 1 1 69 69 HIS N N 69 116.893 116.893 115.361 1.532 19444 1074 1 5 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.725 -0.040 19444 1075 1 5 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.660 0.327 19444 1076 1 5 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.330 0.147 19444 1077 1 5 . 1 1 69 69 HIS H H 69 8.503 8.503 8.084 0.419 19444 1078 1 5 . 1 1 70 70 ALA N N 70 120.705 120.705 122.006 -1.301 19444 1079 1 5 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444 1080 1 5 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.691 0.088 19444 1081 1 5 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.305 -0.105 19444 1082 1 5 . 1 1 70 70 ALA H H 70 6.892 6.892 7.490 -0.598 19444 1083 1 5 . 1 1 71 71 GLY N N 71 109.407 109.407 112.560 -3.153 19444 1084 1 5 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.010 0.336 19444 1085 1 5 . 1 1 71 71 GLY H H 71 9.144 9.144 8.988 0.156 19444 1086 1 5 . 1 1 72 72 LEU N N 72 119.969 119.969 122.901 -2.932 19444 1087 1 5 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.704 0.156 19444 1088 1 5 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.200 -0.124 19444 1089 1 5 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.615 -0.151 19444 1090 1 5 . 1 1 72 72 LEU H H 72 8.255 8.255 8.124 0.131 19444 1091 1 5 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.661 0.177 19444 1092 1 5 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.792 -1.282 19444 1093 1 5 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.175 -0.768 19444 1094 1 5 . 1 1 74 74 VAL N N 74 121.438 121.438 120.336 1.102 19444 1095 1 5 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.906 -0.417 19444 1096 1 5 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.093 1.560 19444 1097 1 5 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.132 -0.809 19444 1098 1 5 . 1 1 74 74 VAL H H 74 7.729 7.729 8.321 -0.592 19444 1099 1 5 . 1 1 75 75 THR N N 75 108.826 108.826 109.647 -0.821 19444 1100 1 5 . 1 1 75 75 THR HA H 75 5.015 5.015 4.574 0.441 19444 1101 1 5 . 1 1 75 75 THR CA C 75 59.822 59.822 59.168 0.654 19444 1102 1 5 . 1 1 75 75 THR CB C 75 74.087 74.087 71.855 2.232 19444 1103 1 5 . 1 1 75 75 THR H H 75 8.763 8.763 8.179 0.584 19444 1104 1 5 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.689 0.241 19444 1105 1 5 . 1 1 77 77 SER N N 77 114.493 114.493 114.818 -0.325 19444 1106 1 5 . 1 1 77 77 SER HA H 77 4.133 4.133 4.060 0.073 19444 1107 1 5 . 1 1 77 77 SER CA C 77 60.600 60.600 61.734 -1.135 19444 1108 1 5 . 1 1 77 77 SER CB C 77 62.378 62.378 62.788 -0.410 19444 1109 1 5 . 1 1 77 77 SER H H 77 8.231 8.231 8.280 -0.049 19444 1110 1 5 . 1 1 78 78 ASP N N 78 120.698 120.698 122.519 -1.821 19444 1111 1 5 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.237 0.171 19444 1112 1 5 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.373 0.706 19444 1113 1 5 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.242 3.092 19444 1114 1 5 . 1 1 78 78 ASP H H 78 7.388 7.388 8.030 -0.642 19444 1115 1 5 . 1 1 79 79 ALA N N 79 120.570 120.570 122.448 -1.878 19444 1116 1 5 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.799 -0.075 19444 1117 1 5 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.050 -0.149 19444 1118 1 5 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.152 1.594 19444 1119 1 5 . 1 1 79 79 ALA H H 79 7.873 7.873 8.140 -0.267 19444 1120 1 5 . 1 1 80 80 ARG N N 80 116.347 116.347 119.172 -2.825 19444 1121 1 5 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.010 -0.202 19444 1122 1 5 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.330 2.237 19444 1123 1 5 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.284 0.147 19444 1124 1 5 . 1 1 80 80 ARG H H 80 8.117 8.117 7.913 0.204 19444 1125 1 5 . 1 1 81 81 VAL N N 81 119.158 119.158 120.393 -1.235 19444 1126 1 5 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.779 -0.111 19444 1127 1 5 . 1 1 81 81 VAL CA C 81 66.913 66.913 67.240 -0.327 19444 1128 1 5 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.650 0.122 19444 1129 1 5 . 1 1 81 81 VAL H H 81 7.373 7.373 8.344 -0.971 19444 1130 1 5 . 1 1 82 82 LEU N N 82 118.515 118.515 120.657 -2.142 19444 1131 1 5 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.920 0.192 19444 1132 1 5 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.515 -0.260 19444 1133 1 5 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.561 -0.057 19444 1134 1 5 . 1 1 82 82 LEU H H 82 7.589 7.589 8.190 -0.601 19444 1135 1 5 . 1 1 83 83 ILE N N 83 121.181 121.181 119.476 1.705 19444 1136 1 5 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.694 0.080 19444 1137 1 5 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.690 0.141 19444 1138 1 5 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.949 0.639 19444 1139 1 5 . 1 1 83 83 ILE H H 83 8.755 8.755 8.173 0.582 19444 1140 1 5 . 1 1 84 84 PHE N N 84 123.192 123.192 120.140 3.052 19444 1141 1 5 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.146 0.016 19444 1142 1 5 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.020 0.636 19444 1143 1 5 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.022 0.042 19444 1144 1 5 . 1 1 84 84 PHE H H 84 8.683 8.683 8.703 -0.020 19444 1145 1 5 . 1 1 85 85 ASN N N 85 118.056 118.056 117.556 0.500 19444 1146 1 5 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.212 0.253 19444 1147 1 5 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.314 -0.167 19444 1148 1 5 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.169 -0.266 19444 1149 1 5 . 1 1 85 85 ASN H H 85 8.892 8.892 8.541 0.351 19444 1150 1 5 . 1 1 86 86 ASP N N 86 120.374 120.374 121.337 -0.963 19444 1151 1 5 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.396 0.056 19444 1152 1 5 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.793 -0.496 19444 1153 1 5 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.772 1.495 19444 1154 1 5 . 1 1 86 86 ASP H H 86 8.146 8.146 8.309 -0.163 19444 1155 1 5 . 1 1 87 87 TRP N N 87 121.401 121.401 121.909 -0.508 19444 1156 1 5 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.117 -0.160 19444 1157 1 5 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.448 0.339 19444 1158 1 5 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.482 -1.536 19444 1159 1 5 . 1 1 87 87 TRP H H 87 8.121 8.121 8.510 -0.389 19444 1160 1 5 . 1 1 88 88 GLU N N 88 117.779 117.779 118.751 -0.972 19444 1161 1 5 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.071 -0.126 19444 1162 1 5 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.503 0.167 19444 1163 1 5 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.677 0.863 19444 1164 1 5 . 1 1 88 88 GLU H H 88 8.613 8.613 8.315 0.298 19444 1165 1 5 . 1 1 89 89 GLU N N 89 116.209 116.209 119.345 -3.136 19444 1166 1 5 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.902 0.099 19444 1167 1 5 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.343 -0.853 19444 1168 1 5 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.547 0.341 19444 1169 1 5 . 1 1 89 89 GLU H H 89 7.456 7.456 7.790 -0.334 19444 1170 1 5 . 1 1 90 90 ARG N N 90 119.957 119.957 118.557 1.400 19444 1171 1 5 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.912 0.041 19444 1172 1 5 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.298 0.279 19444 1173 1 5 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.599 2.132 19444 1174 1 5 . 1 1 90 90 ARG H H 90 8.134 8.134 8.522 -0.388 19444 1175 1 5 . 1 1 91 91 LYS N N 91 118.871 118.871 120.422 -1.551 19444 1176 1 5 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.031 -0.359 19444 1177 1 5 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.612 -0.902 19444 1178 1 5 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.656 -1.151 19444 1179 1 5 . 1 1 91 91 LYS H H 91 8.325 8.325 7.994 0.331 19444 1180 1 5 . 1 1 92 92 ARG N N 92 117.453 117.453 118.338 -0.885 19444 1181 1 5 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.916 -0.041 19444 1182 1 5 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.508 0.373 19444 1183 1 5 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.969 -0.184 19444 1184 1 5 . 1 1 92 92 ARG H H 92 7.069 7.069 7.793 -0.724 19444 1185 1 5 . 1 1 93 93 SER N N 93 110.842 110.842 113.756 -2.914 19444 1186 1 5 . 1 1 93 93 SER HA H 93 4.513 4.513 4.226 0.287 19444 1187 1 5 . 1 1 93 93 SER CA C 93 58.762 58.762 60.261 -1.499 19444 1188 1 5 . 1 1 93 93 SER CB C 93 64.164 64.164 63.940 0.224 19444 1189 1 5 . 1 1 93 93 SER H H 93 7.427 7.427 7.604 -0.177 19444 1190 1 5 . 1 1 94 94 GLU N N 94 121.732 121.732 119.160 2.572 19444 1191 1 5 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.102 -0.425 19444 1192 1 5 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.695 0.191 19444 1193 1 5 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.515 -0.461 19444 1194 1 5 . 1 1 94 94 GLU H H 94 7.629 7.629 7.843 -0.214 19444 1195 1 5 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.423 -0.115 19444 1196 1 5 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.286 0.345 19444 1197 1 5 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.098 -0.614 19444 1198 1 5 . 1 1 96 96 TRP N N 96 115.321 115.321 116.983 -1.662 19444 1199 1 5 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.787 -0.132 19444 1200 1 5 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.614 2.152 19444 1201 1 5 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.538 -0.522 19444 1202 1 5 . 1 1 96 96 TRP H H 96 6.840 6.840 7.012 -0.172 19444 1203 1 5 . 1 1 97 97 LEU N N 97 125.159 125.159 124.348 0.811 19444 1204 1 5 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.439 -0.262 19444 1205 1 5 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.062 1.037 19444 1206 1 5 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.260 0.969 19444 1207 1 5 . 1 1 97 97 LEU H H 97 7.287 7.287 7.277 0.010 19444 1208 1 5 . 1 1 98 98 ARG N N 98 128.515 128.515 128.275 0.240 19444 1209 1 5 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.748 -0.160 19444 1210 1 5 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.581 -0.491 19444 1211 1 5 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.222 0.114 19444 1212 1 5 . 1 1 98 98 ARG H H 98 8.898 8.898 8.626 0.272 19444 1213 1 5 . 1 1 99 99 LEU N N 99 127.834 127.834 123.065 4.769 19444 1214 1 5 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.331 -0.735 19444 1215 1 5 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.074 0.504 19444 1216 1 5 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.829 -2.655 19444 1217 1 5 . 1 1 99 99 LEU H H 99 8.362 8.362 8.344 0.018 19444 1218 1 5 . 1 1 100 100 ASP N N 100 127.038 127.038 126.407 0.631 19444 1219 1 5 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.919 -0.207 19444 1220 1 5 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.081 -1.067 19444 1221 1 5 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.117 -1.720 19444 1222 1 5 . 1 1 100 100 ASP H H 100 7.998 7.998 8.577 -0.579 19444 1223 1 5 . 1 1 101 101 MET N N 101 122.551 122.551 118.899 3.652 19444 1224 1 5 . 1 1 101 101 MET HA H 101 4.533 4.533 4.707 -0.174 19444 1225 1 5 . 1 1 101 101 MET CA C 101 53.583 53.583 54.767 -1.184 19444 1226 1 5 . 1 1 101 101 MET CB C 101 33.400 33.400 33.455 -0.055 19444 1227 1 5 . 1 1 101 101 MET H H 101 8.761 8.761 8.459 0.302 19444 1228 1 5 . 1 1 102 102 SER N N 102 116.261 116.261 116.659 -0.398 19444 1229 1 5 . 1 1 102 102 SER HA H 102 4.191 4.191 3.806 0.385 19444 1230 1 5 . 1 1 102 102 SER CA C 102 58.655 58.655 57.876 0.779 19444 1231 1 5 . 1 1 102 102 SER CB C 102 64.764 64.764 63.704 1.060 19444 1232 1 5 . 1 1 102 102 SER H H 102 8.212 8.212 7.848 0.364 19444 1233 1 5 . 1 1 103 103 ASP N N 103 121.700 121.700 125.973 -4.273 19444 1234 1 5 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.985 -0.172 19444 1235 1 5 . 1 1 103 103 ASP CA C 103 57.468 57.468 56.992 0.476 19444 1236 1 5 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.376 -1.592 19444 1237 1 5 . 1 1 103 103 ASP H H 103 8.791 8.791 8.655 0.136 19444 1238 1 5 . 1 1 104 104 LYS N N 104 116.308 116.308 119.615 -3.307 19444 1239 1 5 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.204 -0.423 19444 1240 1 5 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.066 0.773 19444 1241 1 5 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.236 -0.064 19444 1242 1 5 . 1 1 104 104 LYS H H 104 7.886 7.886 7.629 0.257 19444 1243 1 5 . 1 1 105 105 ALA N N 105 122.364 122.364 123.011 -0.647 19444 1244 1 5 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.152 -0.192 19444 1245 1 5 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.850 0.188 19444 1246 1 5 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.023 -0.083 19444 1247 1 5 . 1 1 105 105 ALA H H 105 7.343 7.343 7.235 0.108 19444 1248 1 5 . 1 1 106 106 ILE N N 106 119.713 119.713 119.439 0.274 19444 1249 1 5 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.688 -0.210 19444 1250 1 5 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.510 2.688 19444 1251 1 5 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.208 1.315 19444 1252 1 5 . 1 1 106 106 ILE H H 106 8.124 8.124 8.238 -0.114 19444 1253 1 5 . 1 1 107 107 PHE N N 107 117.557 117.557 118.327 -0.770 19444 1254 1 5 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.603 -0.157 19444 1255 1 5 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.905 -2.978 19444 1256 1 5 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.857 -0.593 19444 1257 1 5 . 1 1 107 107 PHE H H 107 8.448 8.448 8.008 0.440 19444 1258 1 5 . 1 1 108 108 ARG N N 108 117.407 117.407 118.830 -1.423 19444 1259 1 5 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.238 -0.155 19444 1260 1 5 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.227 0.402 19444 1261 1 5 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.900 0.560 19444 1262 1 5 . 1 1 108 108 ARG H H 108 7.568 7.568 8.311 -0.743 19444 1263 1 5 . 1 1 109 109 ARG N N 109 117.561 117.561 116.938 0.623 19444 1264 1 5 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.134 -0.136 19444 1265 1 5 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.213 -0.658 19444 1266 1 5 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.356 0.231 19444 1267 1 5 . 1 1 109 109 ARG H H 109 7.281 7.281 7.942 -0.661 19444 1268 1 5 . 1 1 110 110 TYR N N 110 116.115 116.115 117.357 -1.242 19444 1269 1 5 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.066 0.262 19444 1270 1 5 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.291 -0.790 19444 1271 1 5 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.526 -1.037 19444 1272 1 5 . 1 1 110 110 TYR H H 110 8.877 8.877 8.251 0.626 19444 1273 1 5 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.693 -0.214 19444 1274 1 5 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.256 0.537 19444 1275 1 5 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.197 -0.526 19444 1276 1 5 . 1 1 112 112 HIS N N 112 116.277 116.277 116.944 -0.667 19444 1277 1 5 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.539 -0.107 19444 1278 1 5 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.521 0.953 19444 1279 1 5 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.121 0.700 19444 1280 1 5 . 1 1 112 112 HIS H H 112 8.300 8.300 8.511 -0.211 19444 1281 1 5 . 1 1 113 113 LEU N N 113 120.770 120.770 119.913 0.857 19444 1282 1 5 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.142 -0.041 19444 1283 1 5 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.367 -1.164 19444 1284 1 5 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.621 1.256 19444 1285 1 5 . 1 1 113 113 LEU H H 113 7.518 7.518 7.172 0.346 19444 1286 1 6 . 1 1 59 59 ALA N N 59 123.352 123.352 122.969 0.383 19444 1287 1 6 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.527 -0.243 19444 1288 1 6 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.073 0.223 19444 1289 1 6 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.820 -0.187 19444 1290 1 6 . 1 1 59 59 ALA H H 59 7.997 7.997 7.697 0.300 19444 1291 1 6 . 1 1 60 60 LEU N N 60 120.985 120.985 119.790 1.195 19444 1292 1 6 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.618 -0.165 19444 1293 1 6 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.703 -0.416 19444 1294 1 6 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.387 -0.132 19444 1295 1 6 . 1 1 60 60 LEU H H 60 8.169 8.169 8.196 -0.027 19444 1296 1 6 . 1 1 61 61 ALA N N 61 125.303 125.303 123.632 1.671 19444 1297 1 6 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.735 -0.238 19444 1298 1 6 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.798 0.429 19444 1299 1 6 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.535 -1.359 19444 1300 1 6 . 1 1 61 61 ALA H H 61 8.445 8.445 8.255 0.190 19444 1301 1 6 . 1 1 62 62 ALA N N 62 127.804 127.804 125.430 2.374 19444 1302 1 6 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.749 -0.433 19444 1303 1 6 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.809 1.200 19444 1304 1 6 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.152 -1.167 19444 1305 1 6 . 1 1 62 62 ALA H H 62 8.583 8.583 9.096 -0.513 19444 1306 1 6 . 1 1 63 63 LEU N N 63 120.096 120.096 120.838 -0.742 19444 1307 1 6 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.975 -0.091 19444 1308 1 6 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.845 -0.953 19444 1309 1 6 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.499 -1.367 19444 1310 1 6 . 1 1 63 63 LEU H H 63 8.077 8.077 8.271 -0.194 19444 1311 1 6 . 1 1 64 64 HIS N N 64 122.245 122.245 118.786 3.459 19444 1312 1 6 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.606 -0.366 19444 1313 1 6 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.971 1.055 19444 1314 1 6 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.396 -0.059 19444 1315 1 6 . 1 1 64 64 HIS H H 64 8.629 8.629 8.696 -0.067 19444 1316 1 6 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.302 0.048 19444 1317 1 6 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.147 0.202 19444 1318 1 6 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.712 0.006 19444 1319 1 6 . 1 1 66 66 ASP N N 66 115.211 115.211 115.090 0.121 19444 1320 1 6 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444 1321 1 6 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.259 -0.737 19444 1322 1 6 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.814 -0.063 19444 1323 1 6 . 1 1 66 66 ASP H H 66 7.869 7.869 7.792 0.077 19444 1324 1 6 . 1 1 67 67 GLY N N 67 105.349 105.349 109.765 -4.416 19444 1325 1 6 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.044 0.223 19444 1326 1 6 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444 1327 1 6 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444 1328 1 6 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.027 -0.823 19444 1329 1 6 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.622 -0.101 19444 1330 1 6 . 1 1 69 69 HIS N N 69 116.893 116.893 115.389 1.504 19444 1331 1 6 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.737 -0.052 19444 1332 1 6 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.606 0.380 19444 1333 1 6 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.290 0.187 19444 1334 1 6 . 1 1 69 69 HIS H H 69 8.503 8.503 8.169 0.334 19444 1335 1 6 . 1 1 70 70 ALA N N 70 120.705 120.705 122.013 -1.308 19444 1336 1 6 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.112 -0.545 19444 1337 1 6 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.681 0.097 19444 1338 1 6 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.287 -0.087 19444 1339 1 6 . 1 1 70 70 ALA H H 70 6.892 6.892 7.484 -0.592 19444 1340 1 6 . 1 1 71 71 GLY N N 71 109.407 109.407 113.697 -4.290 19444 1341 1 6 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.024 0.322 19444 1342 1 6 . 1 1 71 71 GLY H H 71 9.144 9.144 9.005 0.139 19444 1343 1 6 . 1 1 72 72 LEU N N 72 119.969 119.969 121.633 -1.664 19444 1344 1 6 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.778 0.082 19444 1345 1 6 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.321 -0.245 19444 1346 1 6 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.777 -0.313 19444 1347 1 6 . 1 1 72 72 LEU H H 72 8.255 8.255 8.184 0.071 19444 1348 1 6 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.703 0.135 19444 1349 1 6 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.704 -1.194 19444 1350 1 6 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.209 -0.802 19444 1351 1 6 . 1 1 74 74 VAL N N 74 121.438 121.438 119.918 1.520 19444 1352 1 6 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.938 -0.449 19444 1353 1 6 . 1 1 74 74 VAL CA C 74 65.653 65.653 63.914 1.739 19444 1354 1 6 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.175 -0.852 19444 1355 1 6 . 1 1 74 74 VAL H H 74 7.729 7.729 8.154 -0.425 19444 1356 1 6 . 1 1 75 75 THR N N 75 108.826 108.826 109.760 -0.934 19444 1357 1 6 . 1 1 75 75 THR HA H 75 5.015 5.015 4.592 0.423 19444 1358 1 6 . 1 1 75 75 THR CA C 75 59.822 59.822 59.177 0.645 19444 1359 1 6 . 1 1 75 75 THR CB C 75 74.087 74.087 71.915 2.172 19444 1360 1 6 . 1 1 75 75 THR H H 75 8.763 8.763 8.160 0.603 19444 1361 1 6 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.727 0.203 19444 1362 1 6 . 1 1 77 77 SER N N 77 114.493 114.493 114.745 -0.252 19444 1363 1 6 . 1 1 77 77 SER HA H 77 4.133 4.133 4.099 0.034 19444 1364 1 6 . 1 1 77 77 SER CA C 77 60.600 60.600 61.838 -1.238 19444 1365 1 6 . 1 1 77 77 SER CB C 77 62.378 62.378 62.724 -0.346 19444 1366 1 6 . 1 1 77 77 SER H H 77 8.231 8.231 8.325 -0.094 19444 1367 1 6 . 1 1 78 78 ASP N N 78 120.698 120.698 122.640 -1.942 19444 1368 1 6 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.312 0.096 19444 1369 1 6 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444 1370 1 6 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.346 2.988 19444 1371 1 6 . 1 1 78 78 ASP H H 78 7.388 7.388 8.090 -0.702 19444 1372 1 6 . 1 1 79 79 ALA N N 79 120.570 120.570 122.568 -1.998 19444 1373 1 6 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.781 -0.057 19444 1374 1 6 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.048 -0.147 19444 1375 1 6 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.150 1.596 19444 1376 1 6 . 1 1 79 79 ALA H H 79 7.873 7.873 8.160 -0.287 19444 1377 1 6 . 1 1 80 80 ARG N N 80 116.347 116.347 119.078 -2.731 19444 1378 1 6 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.053 -0.245 19444 1379 1 6 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.484 2.083 19444 1380 1 6 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.426 0.005 19444 1381 1 6 . 1 1 80 80 ARG H H 80 8.117 8.117 8.244 -0.127 19444 1382 1 6 . 1 1 81 81 VAL N N 81 119.158 119.158 120.076 -0.918 19444 1383 1 6 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.854 -0.186 19444 1384 1 6 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.795 0.118 19444 1385 1 6 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.690 0.082 19444 1386 1 6 . 1 1 81 81 VAL H H 81 7.373 7.373 8.289 -0.916 19444 1387 1 6 . 1 1 82 82 LEU N N 82 118.515 118.515 121.349 -2.834 19444 1388 1 6 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.943 0.169 19444 1389 1 6 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.675 -0.420 19444 1390 1 6 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.550 -0.046 19444 1391 1 6 . 1 1 82 82 LEU H H 82 7.589 7.589 8.349 -0.760 19444 1392 1 6 . 1 1 83 83 ILE N N 83 121.181 121.181 119.630 1.551 19444 1393 1 6 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.682 0.092 19444 1394 1 6 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.746 0.085 19444 1395 1 6 . 1 1 83 83 ILE CB C 83 38.588 38.588 38.012 0.576 19444 1396 1 6 . 1 1 83 83 ILE H H 83 8.755 8.755 8.247 0.508 19444 1397 1 6 . 1 1 84 84 PHE N N 84 123.192 123.192 120.204 2.988 19444 1398 1 6 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.084 0.078 19444 1399 1 6 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.054 0.602 19444 1400 1 6 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.224 -0.160 19444 1401 1 6 . 1 1 84 84 PHE H H 84 8.683 8.683 8.612 0.071 19444 1402 1 6 . 1 1 85 85 ASN N N 85 118.056 118.056 117.801 0.255 19444 1403 1 6 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.252 0.213 19444 1404 1 6 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.824 -0.677 19444 1405 1 6 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.529 -0.626 19444 1406 1 6 . 1 1 85 85 ASN H H 85 8.892 8.892 8.674 0.218 19444 1407 1 6 . 1 1 86 86 ASP N N 86 120.374 120.374 121.471 -1.097 19444 1408 1 6 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.422 0.030 19444 1409 1 6 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.077 -0.780 19444 1410 1 6 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.817 1.450 19444 1411 1 6 . 1 1 86 86 ASP H H 86 8.146 8.146 8.420 -0.274 19444 1412 1 6 . 1 1 87 87 TRP N N 87 121.401 121.401 121.743 -0.342 19444 1413 1 6 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.125 -0.168 19444 1414 1 6 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.372 0.415 19444 1415 1 6 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.540 -1.594 19444 1416 1 6 . 1 1 87 87 TRP H H 87 8.121 8.121 8.448 -0.327 19444 1417 1 6 . 1 1 88 88 GLU N N 88 117.779 117.779 118.817 -1.038 19444 1418 1 6 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.128 -0.182 19444 1419 1 6 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.450 0.219 19444 1420 1 6 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.734 0.806 19444 1421 1 6 . 1 1 88 88 GLU H H 88 8.613 8.613 8.358 0.255 19444 1422 1 6 . 1 1 89 89 GLU N N 89 116.209 116.209 119.592 -3.383 19444 1423 1 6 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.918 0.083 19444 1424 1 6 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.230 -0.740 19444 1425 1 6 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.456 0.433 19444 1426 1 6 . 1 1 89 89 GLU H H 89 7.456 7.456 7.898 -0.442 19444 1427 1 6 . 1 1 90 90 ARG N N 90 119.957 119.957 118.371 1.586 19444 1428 1 6 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.975 -0.022 19444 1429 1 6 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.666 0.911 19444 1430 1 6 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.724 2.006 19444 1431 1 6 . 1 1 90 90 ARG H H 90 8.134 8.134 8.219 -0.085 19444 1432 1 6 . 1 1 91 91 LYS N N 91 118.871 118.871 120.787 -1.916 19444 1433 1 6 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444 1434 1 6 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.552 -0.842 19444 1435 1 6 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.629 -1.124 19444 1436 1 6 . 1 1 91 91 LYS H H 91 8.325 8.325 7.969 0.356 19444 1437 1 6 . 1 1 92 92 ARG N N 92 117.453 117.453 118.471 -1.018 19444 1438 1 6 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.960 -0.085 19444 1439 1 6 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.582 0.299 19444 1440 1 6 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.127 -0.342 19444 1441 1 6 . 1 1 92 92 ARG H H 92 7.069 7.069 7.819 -0.750 19444 1442 1 6 . 1 1 93 93 SER N N 93 110.842 110.842 113.645 -2.803 19444 1443 1 6 . 1 1 93 93 SER HA H 93 4.513 4.513 4.229 0.284 19444 1444 1 6 . 1 1 93 93 SER CA C 93 58.762 58.762 60.434 -1.672 19444 1445 1 6 . 1 1 93 93 SER CB C 93 64.164 64.164 63.927 0.237 19444 1446 1 6 . 1 1 93 93 SER H H 93 7.427 7.427 7.719 -0.292 19444 1447 1 6 . 1 1 94 94 GLU N N 94 121.732 121.732 118.814 2.918 19444 1448 1 6 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.974 -0.297 19444 1449 1 6 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.804 0.082 19444 1450 1 6 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.156 -0.102 19444 1451 1 6 . 1 1 94 94 GLU H H 94 7.629 7.629 7.669 -0.040 19444 1452 1 6 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.326 -0.018 19444 1453 1 6 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.317 0.314 19444 1454 1 6 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.815 -0.331 19444 1455 1 6 . 1 1 96 96 TRP N N 96 115.321 115.321 116.060 -0.739 19444 1456 1 6 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.741 -0.086 19444 1457 1 6 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.563 2.203 19444 1458 1 6 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.860 -0.844 19444 1459 1 6 . 1 1 96 96 TRP H H 96 6.840 6.840 7.051 -0.211 19444 1460 1 6 . 1 1 97 97 LEU N N 97 125.159 125.159 124.384 0.775 19444 1461 1 6 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.481 -0.304 19444 1462 1 6 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.675 1.425 19444 1463 1 6 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.232 0.996 19444 1464 1 6 . 1 1 97 97 LEU H H 97 7.287 7.287 7.302 -0.015 19444 1465 1 6 . 1 1 98 98 ARG N N 98 128.515 128.515 128.242 0.273 19444 1466 1 6 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.736 -0.148 19444 1467 1 6 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.873 -0.783 19444 1468 1 6 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.250 0.086 19444 1469 1 6 . 1 1 98 98 ARG H H 98 8.898 8.898 8.632 0.266 19444 1470 1 6 . 1 1 99 99 LEU N N 99 127.834 127.834 123.753 4.081 19444 1471 1 6 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.207 -0.611 19444 1472 1 6 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.949 0.629 19444 1473 1 6 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.112 -2.938 19444 1474 1 6 . 1 1 99 99 LEU H H 99 8.362 8.362 8.268 0.094 19444 1475 1 6 . 1 1 100 100 ASP N N 100 127.038 127.038 127.375 -0.337 19444 1476 1 6 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.077 -0.365 19444 1477 1 6 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.954 -0.940 19444 1478 1 6 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.163 -1.765 19444 1479 1 6 . 1 1 100 100 ASP H H 100 7.998 7.998 8.440 -0.442 19444 1480 1 6 . 1 1 101 101 MET N N 101 122.551 122.551 119.503 3.048 19444 1481 1 6 . 1 1 101 101 MET HA H 101 4.533 4.533 4.797 -0.264 19444 1482 1 6 . 1 1 101 101 MET CA C 101 53.583 53.583 55.313 -1.730 19444 1483 1 6 . 1 1 101 101 MET CB C 101 33.400 33.400 34.107 -0.707 19444 1484 1 6 . 1 1 101 101 MET H H 101 8.761 8.761 8.354 0.407 19444 1485 1 6 . 1 1 102 102 SER N N 102 116.261 116.261 118.021 -1.760 19444 1486 1 6 . 1 1 102 102 SER HA H 102 4.191 4.191 4.136 0.055 19444 1487 1 6 . 1 1 102 102 SER CA C 102 58.655 58.655 57.737 0.918 19444 1488 1 6 . 1 1 102 102 SER CB C 102 64.764 64.764 64.406 0.358 19444 1489 1 6 . 1 1 102 102 SER H H 102 8.212 8.212 8.091 0.121 19444 1490 1 6 . 1 1 103 103 ASP N N 103 121.700 121.700 123.933 -2.233 19444 1491 1 6 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.067 -0.254 19444 1492 1 6 . 1 1 103 103 ASP CA C 103 57.468 57.468 56.996 0.472 19444 1493 1 6 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.267 -1.483 19444 1494 1 6 . 1 1 103 103 ASP H H 103 8.791 8.791 8.722 0.069 19444 1495 1 6 . 1 1 104 104 LYS N N 104 116.308 116.308 119.732 -3.424 19444 1496 1 6 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.239 -0.458 19444 1497 1 6 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.163 0.676 19444 1498 1 6 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.374 -0.202 19444 1499 1 6 . 1 1 104 104 LYS H H 104 7.886 7.886 7.772 0.114 19444 1500 1 6 . 1 1 105 105 ALA N N 105 122.364 122.364 122.402 -0.038 19444 1501 1 6 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.172 -0.212 19444 1502 1 6 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.948 0.090 19444 1503 1 6 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.200 -0.259 19444 1504 1 6 . 1 1 105 105 ALA H H 105 7.343 7.343 7.664 -0.321 19444 1505 1 6 . 1 1 106 106 ILE N N 106 119.713 119.713 119.560 0.153 19444 1506 1 6 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.752 -0.274 19444 1507 1 6 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.479 2.719 19444 1508 1 6 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.253 1.270 19444 1509 1 6 . 1 1 106 106 ILE H H 106 8.124 8.124 8.018 0.106 19444 1510 1 6 . 1 1 107 107 PHE N N 107 117.557 117.557 118.633 -1.076 19444 1511 1 6 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.585 -0.139 19444 1512 1 6 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.771 -2.844 19444 1513 1 6 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.898 -0.634 19444 1514 1 6 . 1 1 107 107 PHE H H 107 8.448 8.448 8.361 0.087 19444 1515 1 6 . 1 1 108 108 ARG N N 108 117.407 117.407 118.402 -0.995 19444 1516 1 6 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.232 -0.149 19444 1517 1 6 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.050 0.579 19444 1518 1 6 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.860 0.600 19444 1519 1 6 . 1 1 108 108 ARG H H 108 7.568 7.568 8.222 -0.654 19444 1520 1 6 . 1 1 109 109 ARG N N 109 117.561 117.561 116.879 0.682 19444 1521 1 6 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.176 -0.178 19444 1522 1 6 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.050 -0.495 19444 1523 1 6 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.472 0.115 19444 1524 1 6 . 1 1 109 109 ARG H H 109 7.281 7.281 7.924 -0.643 19444 1525 1 6 . 1 1 110 110 TYR N N 110 116.115 116.115 117.470 -1.355 19444 1526 1 6 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.090 0.238 19444 1527 1 6 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.329 -0.827 19444 1528 1 6 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.471 -0.982 19444 1529 1 6 . 1 1 110 110 TYR H H 110 8.877 8.877 8.316 0.561 19444 1530 1 6 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.617 -0.138 19444 1531 1 6 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.387 0.406 19444 1532 1 6 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.199 -0.528 19444 1533 1 6 . 1 1 112 112 HIS N N 112 116.277 116.277 114.939 1.338 19444 1534 1 6 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.462 -0.030 19444 1535 1 6 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.047 1.427 19444 1536 1 6 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.766 1.055 19444 1537 1 6 . 1 1 112 112 HIS H H 112 8.300 8.300 8.490 -0.190 19444 1538 1 6 . 1 1 113 113 LEU N N 113 120.770 120.770 119.635 1.135 19444 1539 1 6 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.136 -0.035 19444 1540 1 6 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.261 -1.058 19444 1541 1 6 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.381 1.496 19444 1542 1 6 . 1 1 113 113 LEU H H 113 7.518 7.518 7.066 0.452 19444 1543 1 7 . 1 1 59 59 ALA N N 59 123.352 123.352 121.865 1.487 19444 1544 1 7 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.128 0.156 19444 1545 1 7 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.436 -0.140 19444 1546 1 7 . 1 1 59 59 ALA CB C 59 19.633 19.633 18.840 0.793 19444 1547 1 7 . 1 1 59 59 ALA H H 59 7.997 7.997 8.165 -0.168 19444 1548 1 7 . 1 1 60 60 LEU N N 60 120.985 120.985 120.981 0.004 19444 1549 1 7 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.349 0.104 19444 1550 1 7 . 1 1 60 60 LEU CA C 60 54.287 54.287 55.083 -0.796 19444 1551 1 7 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.851 0.404 19444 1552 1 7 . 1 1 60 60 LEU H H 60 8.169 8.169 8.233 -0.064 19444 1553 1 7 . 1 1 61 61 ALA N N 61 125.303 125.303 124.299 1.004 19444 1554 1 7 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.587 -0.090 19444 1555 1 7 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.654 0.573 19444 1556 1 7 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.507 -1.331 19444 1557 1 7 . 1 1 61 61 ALA H H 61 8.445 8.445 7.952 0.493 19444 1558 1 7 . 1 1 62 62 ALA N N 62 127.804 127.804 125.520 2.284 19444 1559 1 7 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.671 -0.355 19444 1560 1 7 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.156 0.853 19444 1561 1 7 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.872 -0.887 19444 1562 1 7 . 1 1 62 62 ALA H H 62 8.583 8.583 9.072 -0.489 19444 1563 1 7 . 1 1 63 63 LEU N N 63 120.096 120.096 121.405 -1.309 19444 1564 1 7 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.005 -0.121 19444 1565 1 7 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.801 -0.909 19444 1566 1 7 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.485 -1.353 19444 1567 1 7 . 1 1 63 63 LEU H H 63 8.077 8.077 8.259 -0.182 19444 1568 1 7 . 1 1 64 64 HIS N N 64 122.245 122.245 118.760 3.485 19444 1569 1 7 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.603 -0.363 19444 1570 1 7 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.953 1.073 19444 1571 1 7 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.406 -0.068 19444 1572 1 7 . 1 1 64 64 HIS H H 64 8.629 8.629 8.658 -0.029 19444 1573 1 7 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.302 0.048 19444 1574 1 7 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.115 0.234 19444 1575 1 7 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.721 -0.003 19444 1576 1 7 . 1 1 66 66 ASP N N 66 115.211 115.211 115.147 0.064 19444 1577 1 7 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.732 -0.043 19444 1578 1 7 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.250 -0.728 19444 1579 1 7 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.786 -0.035 19444 1580 1 7 . 1 1 66 66 ASP H H 66 7.869 7.869 7.789 0.080 19444 1581 1 7 . 1 1 67 67 GLY N N 67 105.349 105.349 109.818 -4.469 19444 1582 1 7 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.084 0.182 19444 1583 1 7 . 1 1 67 67 GLY H H 67 8.441 8.441 8.384 0.057 19444 1584 1 7 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.251 -0.132 19444 1585 1 7 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.011 -0.807 19444 1586 1 7 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.609 -0.088 19444 1587 1 7 . 1 1 69 69 HIS N N 69 116.893 116.893 115.332 1.561 19444 1588 1 7 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.726 -0.041 19444 1589 1 7 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.647 0.340 19444 1590 1 7 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.336 0.141 19444 1591 1 7 . 1 1 69 69 HIS H H 69 8.503 8.503 8.123 0.380 19444 1592 1 7 . 1 1 70 70 ALA N N 70 120.705 120.705 122.015 -1.310 19444 1593 1 7 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.119 -0.552 19444 1594 1 7 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.666 0.113 19444 1595 1 7 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.284 -0.084 19444 1596 1 7 . 1 1 70 70 ALA H H 70 6.892 6.892 7.483 -0.591 19444 1597 1 7 . 1 1 71 71 GLY N N 71 109.407 109.407 113.759 -4.352 19444 1598 1 7 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.993 0.353 19444 1599 1 7 . 1 1 71 71 GLY H H 71 9.144 9.144 8.998 0.146 19444 1600 1 7 . 1 1 72 72 LEU N N 72 119.969 119.969 121.834 -1.865 19444 1601 1 7 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.724 0.136 19444 1602 1 7 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.434 -0.358 19444 1603 1 7 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.742 -0.278 19444 1604 1 7 . 1 1 72 72 LEU H H 72 8.255 8.255 8.082 0.173 19444 1605 1 7 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.678 0.160 19444 1606 1 7 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.698 -1.188 19444 1607 1 7 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.194 -0.787 19444 1608 1 7 . 1 1 74 74 VAL N N 74 121.438 121.438 120.397 1.041 19444 1609 1 7 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.907 -0.418 19444 1610 1 7 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.126 1.527 19444 1611 1 7 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.129 -0.806 19444 1612 1 7 . 1 1 74 74 VAL H H 74 7.729 7.729 8.272 -0.543 19444 1613 1 7 . 1 1 75 75 THR N N 75 108.826 108.826 109.992 -1.166 19444 1614 1 7 . 1 1 75 75 THR HA H 75 5.015 5.015 4.593 0.422 19444 1615 1 7 . 1 1 75 75 THR CA C 75 59.822 59.822 59.265 0.557 19444 1616 1 7 . 1 1 75 75 THR CB C 75 74.087 74.087 71.871 2.216 19444 1617 1 7 . 1 1 75 75 THR H H 75 8.763 8.763 8.207 0.556 19444 1618 1 7 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.745 0.185 19444 1619 1 7 . 1 1 77 77 SER N N 77 114.493 114.493 115.225 -0.732 19444 1620 1 7 . 1 1 77 77 SER HA H 77 4.133 4.133 4.135 -0.002 19444 1621 1 7 . 1 1 77 77 SER CA C 77 60.600 60.600 61.397 -0.797 19444 1622 1 7 . 1 1 77 77 SER CB C 77 62.378 62.378 62.613 -0.235 19444 1623 1 7 . 1 1 77 77 SER H H 77 8.231 8.231 8.260 -0.029 19444 1624 1 7 . 1 1 78 78 ASP N N 78 120.698 120.698 122.537 -1.839 19444 1625 1 7 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.317 0.091 19444 1626 1 7 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.347 0.732 19444 1627 1 7 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.356 2.978 19444 1628 1 7 . 1 1 78 78 ASP H H 78 7.388 7.388 8.003 -0.615 19444 1629 1 7 . 1 1 79 79 ALA N N 79 120.570 120.570 122.645 -2.075 19444 1630 1 7 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.831 -0.107 19444 1631 1 7 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.125 -0.224 19444 1632 1 7 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.197 1.549 19444 1633 1 7 . 1 1 79 79 ALA H H 79 7.873 7.873 8.244 -0.371 19444 1634 1 7 . 1 1 80 80 ARG N N 80 116.347 116.347 119.544 -3.197 19444 1635 1 7 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.029 -0.221 19444 1636 1 7 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.306 2.261 19444 1637 1 7 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.304 0.127 19444 1638 1 7 . 1 1 80 80 ARG H H 80 8.117 8.117 8.115 0.002 19444 1639 1 7 . 1 1 81 81 VAL N N 81 119.158 119.158 120.465 -1.307 19444 1640 1 7 . 1 1 81 81 VAL HA H 81 3.668 3.668 4.102 -0.434 19444 1641 1 7 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.484 0.429 19444 1642 1 7 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.787 -0.015 19444 1643 1 7 . 1 1 81 81 VAL H H 81 7.373 7.373 8.262 -0.889 19444 1644 1 7 . 1 1 82 82 LEU N N 82 118.515 118.515 121.438 -2.923 19444 1645 1 7 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.882 0.230 19444 1646 1 7 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.700 -0.445 19444 1647 1 7 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.575 -0.071 19444 1648 1 7 . 1 1 82 82 LEU H H 82 7.589 7.589 8.357 -0.768 19444 1649 1 7 . 1 1 83 83 ILE N N 83 121.181 121.181 119.443 1.738 19444 1650 1 7 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.681 0.093 19444 1651 1 7 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.759 0.072 19444 1652 1 7 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.956 0.632 19444 1653 1 7 . 1 1 83 83 ILE H H 83 8.755 8.755 8.269 0.486 19444 1654 1 7 . 1 1 84 84 PHE N N 84 123.192 123.192 120.547 2.645 19444 1655 1 7 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.075 0.087 19444 1656 1 7 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.728 -0.073 19444 1657 1 7 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.191 -0.127 19444 1658 1 7 . 1 1 84 84 PHE H H 84 8.683 8.683 8.634 0.049 19444 1659 1 7 . 1 1 85 85 ASN N N 85 118.056 118.056 117.639 0.417 19444 1660 1 7 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.417 0.048 19444 1661 1 7 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.119 0.028 19444 1662 1 7 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.814 0.089 19444 1663 1 7 . 1 1 85 85 ASN H H 85 8.892 8.892 8.741 0.151 19444 1664 1 7 . 1 1 86 86 ASP N N 86 120.374 120.374 121.987 -1.613 19444 1665 1 7 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.440 0.012 19444 1666 1 7 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.031 -0.734 19444 1667 1 7 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.986 1.281 19444 1668 1 7 . 1 1 86 86 ASP H H 86 8.146 8.146 8.534 -0.388 19444 1669 1 7 . 1 1 87 87 TRP N N 87 121.401 121.401 121.900 -0.499 19444 1670 1 7 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.119 -0.162 19444 1671 1 7 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.671 0.116 19444 1672 1 7 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.477 -1.532 19444 1673 1 7 . 1 1 87 87 TRP H H 87 8.121 8.121 8.511 -0.390 19444 1674 1 7 . 1 1 88 88 GLU N N 88 117.779 117.779 118.573 -0.794 19444 1675 1 7 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.015 -0.069 19444 1676 1 7 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.472 0.198 19444 1677 1 7 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.118 0.422 19444 1678 1 7 . 1 1 88 88 GLU H H 88 8.613 8.613 8.416 0.197 19444 1679 1 7 . 1 1 89 89 GLU N N 89 116.209 116.209 119.687 -3.478 19444 1680 1 7 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.895 0.106 19444 1681 1 7 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.471 -0.981 19444 1682 1 7 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.526 0.362 19444 1683 1 7 . 1 1 89 89 GLU H H 89 7.456 7.456 8.007 -0.551 19444 1684 1 7 . 1 1 90 90 ARG N N 90 119.957 119.957 118.205 1.752 19444 1685 1 7 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.945 0.008 19444 1686 1 7 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.900 -0.323 19444 1687 1 7 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.176 1.555 19444 1688 1 7 . 1 1 90 90 ARG H H 90 8.134 8.134 8.040 0.094 19444 1689 1 7 . 1 1 91 91 LYS N N 91 118.871 118.871 120.405 -1.534 19444 1690 1 7 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.061 -0.389 19444 1691 1 7 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.461 -0.751 19444 1692 1 7 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.724 -1.220 19444 1693 1 7 . 1 1 91 91 LYS H H 91 8.325 8.325 8.039 0.286 19444 1694 1 7 . 1 1 92 92 ARG N N 92 117.453 117.453 118.565 -1.112 19444 1695 1 7 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.977 -0.102 19444 1696 1 7 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.106 0.775 19444 1697 1 7 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.625 0.160 19444 1698 1 7 . 1 1 92 92 ARG H H 92 7.069 7.069 7.936 -0.867 19444 1699 1 7 . 1 1 93 93 SER N N 93 110.842 110.842 114.205 -3.363 19444 1700 1 7 . 1 1 93 93 SER HA H 93 4.513 4.513 4.248 0.265 19444 1701 1 7 . 1 1 93 93 SER CA C 93 58.762 58.762 60.483 -1.722 19444 1702 1 7 . 1 1 93 93 SER CB C 93 64.164 64.164 63.935 0.229 19444 1703 1 7 . 1 1 93 93 SER H H 93 7.427 7.427 7.624 -0.197 19444 1704 1 7 . 1 1 94 94 GLU N N 94 121.732 121.732 118.719 3.013 19444 1705 1 7 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.071 -0.394 19444 1706 1 7 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.859 0.027 19444 1707 1 7 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.500 -0.446 19444 1708 1 7 . 1 1 94 94 GLU H H 94 7.629 7.629 7.759 -0.130 19444 1709 1 7 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.366 -0.058 19444 1710 1 7 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.257 0.374 19444 1711 1 7 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.841 -0.357 19444 1712 1 7 . 1 1 96 96 TRP N N 96 115.321 115.321 115.959 -0.638 19444 1713 1 7 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.761 -0.106 19444 1714 1 7 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.684 2.083 19444 1715 1 7 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.479 -0.463 19444 1716 1 7 . 1 1 96 96 TRP H H 96 6.840 6.840 6.860 -0.020 19444 1717 1 7 . 1 1 97 97 LEU N N 97 125.159 125.159 123.444 1.715 19444 1718 1 7 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.476 -0.299 19444 1719 1 7 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.649 1.450 19444 1720 1 7 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.385 0.843 19444 1721 1 7 . 1 1 97 97 LEU H H 97 7.287 7.287 7.155 0.132 19444 1722 1 7 . 1 1 98 98 ARG N N 98 128.515 128.515 127.818 0.697 19444 1723 1 7 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.527 0.061 19444 1724 1 7 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.287 -1.197 19444 1725 1 7 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.189 0.147 19444 1726 1 7 . 1 1 98 98 ARG H H 98 8.898 8.898 8.574 0.324 19444 1727 1 7 . 1 1 99 99 LEU N N 99 127.834 127.834 123.112 4.722 19444 1728 1 7 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.273 -0.677 19444 1729 1 7 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.066 0.512 19444 1730 1 7 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.838 -1.664 19444 1731 1 7 . 1 1 99 99 LEU H H 99 8.362 8.362 8.372 -0.010 19444 1732 1 7 . 1 1 100 100 ASP N N 100 127.038 127.038 128.600 -1.562 19444 1733 1 7 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.951 -0.239 19444 1734 1 7 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.047 -1.033 19444 1735 1 7 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.931 -0.533 19444 1736 1 7 . 1 1 100 100 ASP H H 100 7.998 7.998 8.700 -0.702 19444 1737 1 7 . 1 1 101 101 MET N N 101 122.551 122.551 117.870 4.681 19444 1738 1 7 . 1 1 101 101 MET HA H 101 4.533 4.533 4.725 -0.192 19444 1739 1 7 . 1 1 101 101 MET CA C 101 53.583 53.583 54.792 -1.209 19444 1740 1 7 . 1 1 101 101 MET CB C 101 33.400 33.400 33.468 -0.068 19444 1741 1 7 . 1 1 101 101 MET H H 101 8.761 8.761 8.264 0.497 19444 1742 1 7 . 1 1 102 102 SER N N 102 116.261 116.261 117.129 -0.868 19444 1743 1 7 . 1 1 102 102 SER HA H 102 4.191 4.191 4.254 -0.063 19444 1744 1 7 . 1 1 102 102 SER CA C 102 58.655 58.655 57.719 0.936 19444 1745 1 7 . 1 1 102 102 SER CB C 102 64.764 64.764 64.886 -0.122 19444 1746 1 7 . 1 1 102 102 SER H H 102 8.212 8.212 8.114 0.098 19444 1747 1 7 . 1 1 103 103 ASP N N 103 121.700 121.700 122.272 -0.572 19444 1748 1 7 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.897 -0.084 19444 1749 1 7 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.319 0.149 19444 1750 1 7 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.156 -1.372 19444 1751 1 7 . 1 1 103 103 ASP H H 103 8.791 8.791 8.787 0.004 19444 1752 1 7 . 1 1 104 104 LYS N N 104 116.308 116.308 120.866 -4.558 19444 1753 1 7 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.212 -0.431 19444 1754 1 7 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.031 0.808 19444 1755 1 7 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.195 -0.023 19444 1756 1 7 . 1 1 104 104 LYS H H 104 7.886 7.886 8.005 -0.119 19444 1757 1 7 . 1 1 105 105 ALA N N 105 122.364 122.364 122.052 0.312 19444 1758 1 7 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.803 0.157 19444 1759 1 7 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.764 0.274 19444 1760 1 7 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.131 -0.190 19444 1761 1 7 . 1 1 105 105 ALA H H 105 7.343 7.343 7.700 -0.357 19444 1762 1 7 . 1 1 106 106 ILE N N 106 119.713 119.713 119.426 0.287 19444 1763 1 7 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.565 -0.087 19444 1764 1 7 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.500 0.698 19444 1765 1 7 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.610 -0.087 19444 1766 1 7 . 1 1 106 106 ILE H H 106 8.124 8.124 8.209 -0.085 19444 1767 1 7 . 1 1 107 107 PHE N N 107 117.557 117.557 118.710 -1.153 19444 1768 1 7 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.557 -0.111 19444 1769 1 7 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.470 -2.543 19444 1770 1 7 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.977 -0.713 19444 1771 1 7 . 1 1 107 107 PHE H H 107 8.448 8.448 8.035 0.413 19444 1772 1 7 . 1 1 108 108 ARG N N 108 117.407 117.407 118.630 -1.223 19444 1773 1 7 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.180 -0.097 19444 1774 1 7 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.002 0.627 19444 1775 1 7 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.774 0.686 19444 1776 1 7 . 1 1 108 108 ARG H H 108 7.568 7.568 8.183 -0.615 19444 1777 1 7 . 1 1 109 109 ARG N N 109 117.561 117.561 117.323 0.238 19444 1778 1 7 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.035 -0.037 19444 1779 1 7 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.479 -0.924 19444 1780 1 7 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.143 0.444 19444 1781 1 7 . 1 1 109 109 ARG H H 109 7.281 7.281 7.964 -0.683 19444 1782 1 7 . 1 1 110 110 TYR N N 110 116.115 116.115 116.675 -0.560 19444 1783 1 7 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.057 0.271 19444 1784 1 7 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.255 -0.754 19444 1785 1 7 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.494 -1.005 19444 1786 1 7 . 1 1 110 110 TYR H H 110 8.877 8.877 8.096 0.781 19444 1787 1 7 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.613 -0.134 19444 1788 1 7 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.411 0.382 19444 1789 1 7 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.188 -0.517 19444 1790 1 7 . 1 1 112 112 HIS N N 112 116.277 116.277 114.864 1.413 19444 1791 1 7 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.456 -0.024 19444 1792 1 7 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.052 1.422 19444 1793 1 7 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.669 1.152 19444 1794 1 7 . 1 1 112 112 HIS H H 112 8.300 8.300 8.482 -0.182 19444 1795 1 7 . 1 1 113 113 LEU N N 113 120.770 120.770 119.811 0.959 19444 1796 1 7 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.087 0.014 19444 1797 1 7 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.466 -1.263 19444 1798 1 7 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.433 1.444 19444 1799 1 7 . 1 1 113 113 LEU H H 113 7.518 7.518 7.170 0.348 19444 1800 1 8 . 1 1 59 59 ALA N N 59 123.352 123.352 121.614 1.738 19444 1801 1 8 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.046 0.238 19444 1802 1 8 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.422 -0.126 19444 1803 1 8 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.218 0.415 19444 1804 1 8 . 1 1 59 59 ALA H H 59 7.997 7.997 8.104 -0.107 19444 1805 1 8 . 1 1 60 60 LEU N N 60 120.985 120.985 121.497 -0.512 19444 1806 1 8 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.575 -0.122 19444 1807 1 8 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.552 -0.265 19444 1808 1 8 . 1 1 60 60 LEU CB C 60 43.255 43.255 44.035 -0.780 19444 1809 1 8 . 1 1 60 60 LEU H H 60 8.169 8.169 8.196 -0.027 19444 1810 1 8 . 1 1 61 61 ALA N N 61 125.303 125.303 128.366 -3.063 19444 1811 1 8 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.581 -0.084 19444 1812 1 8 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.756 0.471 19444 1813 1 8 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.096 0.080 19444 1814 1 8 . 1 1 61 61 ALA H H 61 8.445 8.445 8.244 0.201 19444 1815 1 8 . 1 1 62 62 ALA N N 62 127.804 127.804 127.320 0.484 19444 1816 1 8 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.603 -0.287 19444 1817 1 8 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.351 0.658 19444 1818 1 8 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.833 -0.848 19444 1819 1 8 . 1 1 62 62 ALA H H 62 8.583 8.583 9.073 -0.490 19444 1820 1 8 . 1 1 63 63 LEU N N 63 120.096 120.096 121.984 -1.888 19444 1821 1 8 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.008 -0.124 19444 1822 1 8 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.818 -0.926 19444 1823 1 8 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.224 -1.092 19444 1824 1 8 . 1 1 63 63 LEU H H 63 8.077 8.077 8.286 -0.209 19444 1825 1 8 . 1 1 64 64 HIS N N 64 122.245 122.245 119.020 3.225 19444 1826 1 8 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.585 -0.345 19444 1827 1 8 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.126 0.900 19444 1828 1 8 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.478 -0.140 19444 1829 1 8 . 1 1 64 64 HIS H H 64 8.629 8.629 8.751 -0.122 19444 1830 1 8 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.313 0.037 19444 1831 1 8 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.089 0.260 19444 1832 1 8 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.727 -0.009 19444 1833 1 8 . 1 1 66 66 ASP N N 66 115.211 115.211 115.165 0.046 19444 1834 1 8 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.735 -0.046 19444 1835 1 8 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.273 -0.751 19444 1836 1 8 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.805 -0.054 19444 1837 1 8 . 1 1 66 66 ASP H H 66 7.869 7.869 7.795 0.074 19444 1838 1 8 . 1 1 67 67 GLY N N 67 105.349 105.349 109.722 -4.373 19444 1839 1 8 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.030 0.236 19444 1840 1 8 . 1 1 67 67 GLY H H 67 8.441 8.441 8.369 0.072 19444 1841 1 8 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.244 -0.125 19444 1842 1 8 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.995 -0.791 19444 1843 1 8 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.603 -0.082 19444 1844 1 8 . 1 1 69 69 HIS N N 69 116.893 116.893 115.340 1.553 19444 1845 1 8 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.716 -0.031 19444 1846 1 8 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.649 0.337 19444 1847 1 8 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.333 0.144 19444 1848 1 8 . 1 1 69 69 HIS H H 69 8.503 8.503 8.121 0.382 19444 1849 1 8 . 1 1 70 70 ALA N N 70 120.705 120.705 121.983 -1.278 19444 1850 1 8 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.094 -0.527 19444 1851 1 8 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.703 0.076 19444 1852 1 8 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.301 -0.101 19444 1853 1 8 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444 1854 1 8 . 1 1 71 71 GLY N N 71 109.407 109.407 113.781 -4.374 19444 1855 1 8 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.003 0.343 19444 1856 1 8 . 1 1 71 71 GLY H H 71 9.144 9.144 9.013 0.131 19444 1857 1 8 . 1 1 72 72 LEU N N 72 119.969 119.969 121.857 -1.888 19444 1858 1 8 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.750 0.110 19444 1859 1 8 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.594 -0.518 19444 1860 1 8 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.661 -0.197 19444 1861 1 8 . 1 1 72 72 LEU H H 72 8.255 8.255 8.090 0.165 19444 1862 1 8 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.625 0.213 19444 1863 1 8 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.817 -1.307 19444 1864 1 8 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.119 -0.712 19444 1865 1 8 . 1 1 74 74 VAL N N 74 121.438 121.438 120.599 0.839 19444 1866 1 8 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.836 -0.347 19444 1867 1 8 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.208 1.445 19444 1868 1 8 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.085 -0.762 19444 1869 1 8 . 1 1 74 74 VAL H H 74 7.729 7.729 8.390 -0.661 19444 1870 1 8 . 1 1 75 75 THR N N 75 108.826 108.826 109.665 -0.839 19444 1871 1 8 . 1 1 75 75 THR HA H 75 5.015 5.015 4.579 0.436 19444 1872 1 8 . 1 1 75 75 THR CA C 75 59.822 59.822 59.205 0.617 19444 1873 1 8 . 1 1 75 75 THR CB C 75 74.087 74.087 71.807 2.280 19444 1874 1 8 . 1 1 75 75 THR H H 75 8.763 8.763 8.093 0.670 19444 1875 1 8 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.698 0.232 19444 1876 1 8 . 1 1 77 77 SER N N 77 114.493 114.493 114.378 0.115 19444 1877 1 8 . 1 1 77 77 SER HA H 77 4.133 4.133 4.084 0.049 19444 1878 1 8 . 1 1 77 77 SER CA C 77 60.600 60.600 61.657 -1.057 19444 1879 1 8 . 1 1 77 77 SER CB C 77 62.378 62.378 62.816 -0.439 19444 1880 1 8 . 1 1 77 77 SER H H 77 8.231 8.231 8.299 -0.068 19444 1881 1 8 . 1 1 78 78 ASP N N 78 120.698 120.698 122.624 -1.926 19444 1882 1 8 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.313 0.095 19444 1883 1 8 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.371 0.708 19444 1884 1 8 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.385 2.949 19444 1885 1 8 . 1 1 78 78 ASP H H 78 7.388 7.388 8.012 -0.624 19444 1886 1 8 . 1 1 79 79 ALA N N 79 120.570 120.570 122.635 -2.065 19444 1887 1 8 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.776 -0.052 19444 1888 1 8 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.097 -0.196 19444 1889 1 8 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.133 1.613 19444 1890 1 8 . 1 1 79 79 ALA H H 79 7.873 7.873 8.291 -0.418 19444 1891 1 8 . 1 1 80 80 ARG N N 80 116.347 116.347 119.079 -2.732 19444 1892 1 8 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444 1893 1 8 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.441 2.126 19444 1894 1 8 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.340 0.091 19444 1895 1 8 . 1 1 80 80 ARG H H 80 8.117 8.117 7.959 0.158 19444 1896 1 8 . 1 1 81 81 VAL N N 81 119.158 119.158 119.980 -0.822 19444 1897 1 8 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.873 -0.205 19444 1898 1 8 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.682 0.231 19444 1899 1 8 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444 1900 1 8 . 1 1 81 81 VAL H H 81 7.373 7.373 8.087 -0.714 19444 1901 1 8 . 1 1 82 82 LEU N N 82 118.515 118.515 122.215 -3.700 19444 1902 1 8 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.891 0.221 19444 1903 1 8 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.718 -0.462 19444 1904 1 8 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.925 -0.421 19444 1905 1 8 . 1 1 82 82 LEU H H 82 7.589 7.589 8.360 -0.771 19444 1906 1 8 . 1 1 83 83 ILE N N 83 121.181 121.181 119.485 1.696 19444 1907 1 8 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.676 0.098 19444 1908 1 8 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.806 0.025 19444 1909 1 8 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.999 0.589 19444 1910 1 8 . 1 1 83 83 ILE H H 83 8.755 8.755 8.248 0.507 19444 1911 1 8 . 1 1 84 84 PHE N N 84 123.192 123.192 120.143 3.049 19444 1912 1 8 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.119 0.043 19444 1913 1 8 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.422 0.234 19444 1914 1 8 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.156 -0.092 19444 1915 1 8 . 1 1 84 84 PHE H H 84 8.683 8.683 8.556 0.127 19444 1916 1 8 . 1 1 85 85 ASN N N 85 118.056 118.056 118.458 -0.402 19444 1917 1 8 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.319 0.146 19444 1918 1 8 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.292 -1.145 19444 1919 1 8 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.313 -0.410 19444 1920 1 8 . 1 1 85 85 ASN H H 85 8.892 8.892 8.560 0.332 19444 1921 1 8 . 1 1 86 86 ASP N N 86 120.374 120.374 121.555 -1.181 19444 1922 1 8 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.372 0.080 19444 1923 1 8 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.769 -0.471 19444 1924 1 8 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.970 1.297 19444 1925 1 8 . 1 1 86 86 ASP H H 86 8.146 8.146 8.367 -0.221 19444 1926 1 8 . 1 1 87 87 TRP N N 87 121.401 121.401 121.617 -0.216 19444 1927 1 8 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.088 -0.131 19444 1928 1 8 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.750 0.037 19444 1929 1 8 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.441 -1.495 19444 1930 1 8 . 1 1 87 87 TRP H H 87 8.121 8.121 8.631 -0.510 19444 1931 1 8 . 1 1 88 88 GLU N N 88 117.779 117.779 118.431 -0.652 19444 1932 1 8 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.019 -0.073 19444 1933 1 8 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.802 -0.132 19444 1934 1 8 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.807 0.733 19444 1935 1 8 . 1 1 88 88 GLU H H 88 8.613 8.613 8.452 0.161 19444 1936 1 8 . 1 1 89 89 GLU N N 89 116.209 116.209 119.553 -3.344 19444 1937 1 8 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.891 0.110 19444 1938 1 8 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.232 -0.742 19444 1939 1 8 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.376 0.512 19444 1940 1 8 . 1 1 89 89 GLU H H 89 7.456 7.456 7.850 -0.394 19444 1941 1 8 . 1 1 90 90 ARG N N 90 119.957 119.957 117.662 2.295 19444 1942 1 8 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.036 -0.083 19444 1943 1 8 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.805 0.772 19444 1944 1 8 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.729 2.002 19444 1945 1 8 . 1 1 90 90 ARG H H 90 8.134 8.134 8.380 -0.246 19444 1946 1 8 . 1 1 91 91 LYS N N 91 118.871 118.871 120.852 -1.981 19444 1947 1 8 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.098 -0.426 19444 1948 1 8 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.498 -0.788 19444 1949 1 8 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.750 -1.245 19444 1950 1 8 . 1 1 91 91 LYS H H 91 8.325 8.325 8.005 0.320 19444 1951 1 8 . 1 1 92 92 ARG N N 92 117.453 117.453 118.507 -1.054 19444 1952 1 8 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.900 -0.025 19444 1953 1 8 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.444 0.437 19444 1954 1 8 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.163 -0.378 19444 1955 1 8 . 1 1 92 92 ARG H H 92 7.069 7.069 8.140 -1.071 19444 1956 1 8 . 1 1 93 93 SER N N 93 110.842 110.842 113.407 -2.565 19444 1957 1 8 . 1 1 93 93 SER HA H 93 4.513 4.513 4.297 0.216 19444 1958 1 8 . 1 1 93 93 SER CA C 93 58.762 58.762 59.351 -0.589 19444 1959 1 8 . 1 1 93 93 SER CB C 93 64.164 64.164 64.258 -0.094 19444 1960 1 8 . 1 1 93 93 SER H H 93 7.427 7.427 7.819 -0.392 19444 1961 1 8 . 1 1 94 94 GLU N N 94 121.732 121.732 121.383 0.349 19444 1962 1 8 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.163 -0.486 19444 1963 1 8 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.428 0.458 19444 1964 1 8 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.360 -0.306 19444 1965 1 8 . 1 1 94 94 GLU H H 94 7.629 7.629 7.813 -0.184 19444 1966 1 8 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.447 -0.139 19444 1967 1 8 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.290 0.341 19444 1968 1 8 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.146 -0.662 19444 1969 1 8 . 1 1 96 96 TRP N N 96 115.321 115.321 115.227 0.094 19444 1970 1 8 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.674 -0.019 19444 1971 1 8 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.701 1.065 19444 1972 1 8 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.099 -0.083 19444 1973 1 8 . 1 1 96 96 TRP H H 96 6.840 6.840 6.956 -0.116 19444 1974 1 8 . 1 1 97 97 LEU N N 97 125.159 125.159 123.678 1.481 19444 1975 1 8 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.363 -0.186 19444 1976 1 8 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.867 1.232 19444 1977 1 8 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.474 0.754 19444 1978 1 8 . 1 1 97 97 LEU H H 97 7.287 7.287 7.085 0.202 19444 1979 1 8 . 1 1 98 98 ARG N N 98 128.515 128.515 127.127 1.388 19444 1980 1 8 . 1 1 98 98 ARG HA H 98 4.588 4.588 3.566 1.022 19444 1981 1 8 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.281 -0.191 19444 1982 1 8 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.267 0.069 19444 1983 1 8 . 1 1 98 98 ARG H H 98 8.898 8.898 8.571 0.327 19444 1984 1 8 . 1 1 99 99 LEU N N 99 127.834 127.834 125.264 2.570 19444 1985 1 8 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.197 -0.601 19444 1986 1 8 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.146 0.432 19444 1987 1 8 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.897 -1.723 19444 1988 1 8 . 1 1 99 99 LEU H H 99 8.362 8.362 7.644 0.718 19444 1989 1 8 . 1 1 100 100 ASP N N 100 127.038 127.038 128.707 -1.669 19444 1990 1 8 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.861 -0.149 19444 1991 1 8 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.138 -1.124 19444 1992 1 8 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.784 -1.386 19444 1993 1 8 . 1 1 100 100 ASP H H 100 7.998 7.998 8.426 -0.428 19444 1994 1 8 . 1 1 101 101 MET N N 101 122.551 122.551 120.928 1.623 19444 1995 1 8 . 1 1 101 101 MET HA H 101 4.533 4.533 4.608 -0.075 19444 1996 1 8 . 1 1 101 101 MET CA C 101 53.583 53.583 54.862 -1.279 19444 1997 1 8 . 1 1 101 101 MET CB C 101 33.400 33.400 33.581 -0.181 19444 1998 1 8 . 1 1 101 101 MET H H 101 8.761 8.761 8.099 0.662 19444 1999 1 8 . 1 1 102 102 SER N N 102 116.261 116.261 116.844 -0.583 19444 2000 1 8 . 1 1 102 102 SER HA H 102 4.191 4.191 4.404 -0.213 19444 2001 1 8 . 1 1 102 102 SER CA C 102 58.655 58.655 57.639 1.016 19444 2002 1 8 . 1 1 102 102 SER CB C 102 64.764 64.764 64.996 -0.232 19444 2003 1 8 . 1 1 102 102 SER H H 102 8.212 8.212 7.972 0.240 19444 2004 1 8 . 1 1 103 103 ASP N N 103 121.700 121.700 123.566 -1.866 19444 2005 1 8 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.174 -0.361 19444 2006 1 8 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.175 0.293 19444 2007 1 8 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.514 -1.730 19444 2008 1 8 . 1 1 103 103 ASP H H 103 8.791 8.791 8.866 -0.075 19444 2009 1 8 . 1 1 104 104 LYS N N 104 116.308 116.308 119.533 -3.225 19444 2010 1 8 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.296 -0.515 19444 2011 1 8 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.918 0.921 19444 2012 1 8 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.977 0.195 19444 2013 1 8 . 1 1 104 104 LYS H H 104 7.886 7.886 7.998 -0.112 19444 2014 1 8 . 1 1 105 105 ALA N N 105 122.364 122.364 122.824 -0.460 19444 2015 1 8 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.141 -0.181 19444 2016 1 8 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.926 0.112 19444 2017 1 8 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.979 -0.038 19444 2018 1 8 . 1 1 105 105 ALA H H 105 7.343 7.343 7.616 -0.273 19444 2019 1 8 . 1 1 106 106 ILE N N 106 119.713 119.713 119.446 0.267 19444 2020 1 8 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.747 -0.269 19444 2021 1 8 . 1 1 106 106 ILE CA C 106 66.198 66.198 63.459 2.740 19444 2022 1 8 . 1 1 106 106 ILE CB C 106 37.523 37.523 36.239 1.284 19444 2023 1 8 . 1 1 106 106 ILE H H 106 8.124 8.124 8.010 0.114 19444 2024 1 8 . 1 1 107 107 PHE N N 107 117.557 117.557 118.600 -1.043 19444 2025 1 8 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.619 -0.173 19444 2026 1 8 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.930 -3.003 19444 2027 1 8 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.909 -0.645 19444 2028 1 8 . 1 1 107 107 PHE H H 107 8.448 8.448 8.038 0.410 19444 2029 1 8 . 1 1 108 108 ARG N N 108 117.407 117.407 118.543 -1.136 19444 2030 1 8 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.247 -0.164 19444 2031 1 8 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.129 0.500 19444 2032 1 8 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.936 0.524 19444 2033 1 8 . 1 1 108 108 ARG H H 108 7.568 7.568 8.430 -0.862 19444 2034 1 8 . 1 1 109 109 ARG N N 109 117.561 117.561 118.370 -0.809 19444 2035 1 8 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.127 -0.129 19444 2036 1 8 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.278 -0.723 19444 2037 1 8 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.528 0.059 19444 2038 1 8 . 1 1 109 109 ARG H H 109 7.281 7.281 7.846 -0.565 19444 2039 1 8 . 1 1 110 110 TYR N N 110 116.115 116.115 117.485 -1.370 19444 2040 1 8 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444 2041 1 8 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.024 -0.522 19444 2042 1 8 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.529 -1.040 19444 2043 1 8 . 1 1 110 110 TYR H H 110 8.877 8.877 8.344 0.533 19444 2044 1 8 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.690 -0.211 19444 2045 1 8 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.275 0.518 19444 2046 1 8 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.206 -0.535 19444 2047 1 8 . 1 1 112 112 HIS N N 112 116.277 116.277 116.881 -0.604 19444 2048 1 8 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.539 -0.107 19444 2049 1 8 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.474 1.000 19444 2050 1 8 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.085 0.736 19444 2051 1 8 . 1 1 112 112 HIS H H 112 8.300 8.300 8.530 -0.230 19444 2052 1 8 . 1 1 113 113 LEU N N 113 120.770 120.770 119.884 0.886 19444 2053 1 8 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.172 -0.071 19444 2054 1 8 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.342 -1.139 19444 2055 1 8 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.658 1.219 19444 2056 1 8 . 1 1 113 113 LEU H H 113 7.518 7.518 7.165 0.353 19444 2057 1 9 . 1 1 59 59 ALA N N 59 123.352 123.352 125.356 -2.004 19444 2058 1 9 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.549 -0.265 19444 2059 1 9 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.073 0.223 19444 2060 1 9 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.765 -1.131 19444 2061 1 9 . 1 1 59 59 ALA H H 59 7.997 7.997 8.365 -0.368 19444 2062 1 9 . 1 1 60 60 LEU N N 60 120.985 120.985 121.276 -0.291 19444 2063 1 9 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.449 0.004 19444 2064 1 9 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.438 -0.151 19444 2065 1 9 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.357 -0.102 19444 2066 1 9 . 1 1 60 60 LEU H H 60 8.169 8.169 8.262 -0.093 19444 2067 1 9 . 1 1 61 61 ALA N N 61 125.303 125.303 125.793 -0.490 19444 2068 1 9 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.497 -0.000 19444 2069 1 9 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.908 0.319 19444 2070 1 9 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.194 -0.018 19444 2071 1 9 . 1 1 61 61 ALA H H 61 8.445 8.445 8.205 0.240 19444 2072 1 9 . 1 1 62 62 ALA N N 62 127.804 127.804 126.670 1.134 19444 2073 1 9 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.642 -0.326 19444 2074 1 9 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.277 0.732 19444 2075 1 9 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.811 -0.827 19444 2076 1 9 . 1 1 62 62 ALA H H 62 8.583 8.583 9.058 -0.475 19444 2077 1 9 . 1 1 63 63 LEU N N 63 120.096 120.096 122.114 -2.018 19444 2078 1 9 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.985 -0.101 19444 2079 1 9 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.799 -0.907 19444 2080 1 9 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.192 -1.060 19444 2081 1 9 . 1 1 63 63 LEU H H 63 8.077 8.077 8.318 -0.241 19444 2082 1 9 . 1 1 64 64 HIS N N 64 122.245 122.245 119.006 3.239 19444 2083 1 9 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.584 -0.344 19444 2084 1 9 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.100 0.926 19444 2085 1 9 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.394 -0.056 19444 2086 1 9 . 1 1 64 64 HIS H H 64 8.629 8.629 8.701 -0.072 19444 2087 1 9 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.294 0.056 19444 2088 1 9 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.191 0.157 19444 2089 1 9 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.683 0.035 19444 2090 1 9 . 1 1 66 66 ASP N N 66 115.211 115.211 114.990 0.221 19444 2091 1 9 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.732 -0.043 19444 2092 1 9 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.257 -0.735 19444 2093 1 9 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.806 -0.055 19444 2094 1 9 . 1 1 66 66 ASP H H 66 7.869 7.869 7.794 0.075 19444 2095 1 9 . 1 1 67 67 GLY N N 67 105.349 105.349 109.718 -4.369 19444 2096 1 9 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.032 0.233 19444 2097 1 9 . 1 1 67 67 GLY H H 67 8.441 8.441 8.371 0.070 19444 2098 1 9 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.252 -0.133 19444 2099 1 9 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.002 -0.798 19444 2100 1 9 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.620 -0.099 19444 2101 1 9 . 1 1 69 69 HIS N N 69 116.893 116.893 115.415 1.478 19444 2102 1 9 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.731 -0.046 19444 2103 1 9 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.617 0.369 19444 2104 1 9 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.299 0.178 19444 2105 1 9 . 1 1 69 69 HIS H H 69 8.503 8.503 8.159 0.344 19444 2106 1 9 . 1 1 70 70 ALA N N 70 120.705 120.705 121.998 -1.293 19444 2107 1 9 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.105 -0.538 19444 2108 1 9 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.695 0.084 19444 2109 1 9 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.290 -0.090 19444 2110 1 9 . 1 1 70 70 ALA H H 70 6.892 6.892 7.492 -0.600 19444 2111 1 9 . 1 1 71 71 GLY N N 71 109.407 109.407 112.560 -3.153 19444 2112 1 9 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.998 0.348 19444 2113 1 9 . 1 1 71 71 GLY H H 71 9.144 9.144 8.988 0.156 19444 2114 1 9 . 1 1 72 72 LEU N N 72 119.969 119.969 122.789 -2.820 19444 2115 1 9 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.685 0.175 19444 2116 1 9 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.119 -0.043 19444 2117 1 9 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.561 -0.097 19444 2118 1 9 . 1 1 72 72 LEU H H 72 8.255 8.255 8.217 0.038 19444 2119 1 9 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.645 0.193 19444 2120 1 9 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.766 -1.256 19444 2121 1 9 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.194 -0.787 19444 2122 1 9 . 1 1 74 74 VAL N N 74 121.438 121.438 120.421 1.017 19444 2123 1 9 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.909 -0.420 19444 2124 1 9 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.100 1.553 19444 2125 1 9 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.149 -0.826 19444 2126 1 9 . 1 1 74 74 VAL H H 74 7.729 7.729 8.314 -0.585 19444 2127 1 9 . 1 1 75 75 THR N N 75 108.826 108.826 109.942 -1.116 19444 2128 1 9 . 1 1 75 75 THR HA H 75 5.015 5.015 4.572 0.443 19444 2129 1 9 . 1 1 75 75 THR CA C 75 59.822 59.822 59.241 0.581 19444 2130 1 9 . 1 1 75 75 THR CB C 75 74.087 74.087 71.799 2.288 19444 2131 1 9 . 1 1 75 75 THR H H 75 8.763 8.763 8.093 0.670 19444 2132 1 9 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.685 0.245 19444 2133 1 9 . 1 1 77 77 SER N N 77 114.493 114.493 114.411 0.082 19444 2134 1 9 . 1 1 77 77 SER HA H 77 4.133 4.133 4.026 0.107 19444 2135 1 9 . 1 1 77 77 SER CA C 77 60.600 60.600 61.762 -1.162 19444 2136 1 9 . 1 1 77 77 SER CB C 77 62.378 62.378 62.835 -0.457 19444 2137 1 9 . 1 1 77 77 SER H H 77 8.231 8.231 8.343 -0.112 19444 2138 1 9 . 1 1 78 78 ASP N N 78 120.698 120.698 122.411 -1.713 19444 2139 1 9 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.301 0.107 19444 2140 1 9 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.358 0.721 19444 2141 1 9 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.369 2.965 19444 2142 1 9 . 1 1 78 78 ASP H H 78 7.388 7.388 7.983 -0.595 19444 2143 1 9 . 1 1 79 79 ALA N N 79 120.570 120.570 122.717 -2.147 19444 2144 1 9 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.807 -0.083 19444 2145 1 9 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.051 -0.150 19444 2146 1 9 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.129 1.617 19444 2147 1 9 . 1 1 79 79 ALA H H 79 7.873 7.873 8.287 -0.414 19444 2148 1 9 . 1 1 80 80 ARG N N 80 116.347 116.347 119.127 -2.780 19444 2149 1 9 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.892 -0.084 19444 2150 1 9 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.419 2.148 19444 2151 1 9 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.221 0.210 19444 2152 1 9 . 1 1 80 80 ARG H H 80 8.117 8.117 8.077 0.040 19444 2153 1 9 . 1 1 81 81 VAL N N 81 119.158 119.158 119.989 -0.831 19444 2154 1 9 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.852 -0.184 19444 2155 1 9 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.710 0.202 19444 2156 1 9 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.733 0.039 19444 2157 1 9 . 1 1 81 81 VAL H H 81 7.373 7.373 8.067 -0.694 19444 2158 1 9 . 1 1 82 82 LEU N N 82 118.515 118.515 121.798 -3.283 19444 2159 1 9 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.847 0.265 19444 2160 1 9 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.684 -0.429 19444 2161 1 9 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.884 -0.380 19444 2162 1 9 . 1 1 82 82 LEU H H 82 7.589 7.589 8.352 -0.763 19444 2163 1 9 . 1 1 83 83 ILE N N 83 121.181 121.181 119.332 1.849 19444 2164 1 9 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.649 0.125 19444 2165 1 9 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.802 0.029 19444 2166 1 9 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.980 0.608 19444 2167 1 9 . 1 1 83 83 ILE H H 83 8.755 8.755 8.180 0.575 19444 2168 1 9 . 1 1 84 84 PHE N N 84 123.192 123.192 120.770 2.422 19444 2169 1 9 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.142 0.020 19444 2170 1 9 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.524 0.132 19444 2171 1 9 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.201 -0.137 19444 2172 1 9 . 1 1 84 84 PHE H H 84 8.683 8.683 8.744 -0.061 19444 2173 1 9 . 1 1 85 85 ASN N N 85 118.056 118.056 117.912 0.144 19444 2174 1 9 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.379 0.086 19444 2175 1 9 . 1 1 85 85 ASN CA C 85 56.147 56.147 55.990 0.157 19444 2176 1 9 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.758 0.145 19444 2177 1 9 . 1 1 85 85 ASN H H 85 8.892 8.892 8.681 0.211 19444 2178 1 9 . 1 1 86 86 ASP N N 86 120.374 120.374 121.578 -1.204 19444 2179 1 9 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.393 0.059 19444 2180 1 9 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.720 -0.423 19444 2181 1 9 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.049 1.218 19444 2182 1 9 . 1 1 86 86 ASP H H 86 8.146 8.146 8.312 -0.166 19444 2183 1 9 . 1 1 87 87 TRP N N 87 121.401 121.401 121.704 -0.303 19444 2184 1 9 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.128 -0.171 19444 2185 1 9 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.747 0.040 19444 2186 1 9 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.556 -1.610 19444 2187 1 9 . 1 1 87 87 TRP H H 87 8.121 8.121 8.549 -0.428 19444 2188 1 9 . 1 1 88 88 GLU N N 88 117.779 117.779 117.634 0.145 19444 2189 1 9 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.159 -0.213 19444 2190 1 9 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.680 -0.010 19444 2191 1 9 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.952 0.588 19444 2192 1 9 . 1 1 88 88 GLU H H 88 8.613 8.613 8.427 0.186 19444 2193 1 9 . 1 1 89 89 GLU N N 89 116.209 116.209 120.488 -4.279 19444 2194 1 9 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.960 0.041 19444 2195 1 9 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.034 -0.544 19444 2196 1 9 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.336 0.552 19444 2197 1 9 . 1 1 89 89 GLU H H 89 7.456 7.456 7.961 -0.505 19444 2198 1 9 . 1 1 90 90 ARG N N 90 119.957 119.957 118.709 1.248 19444 2199 1 9 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.965 -0.012 19444 2200 1 9 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.139 0.438 19444 2201 1 9 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.720 2.011 19444 2202 1 9 . 1 1 90 90 ARG H H 90 8.134 8.134 8.249 -0.115 19444 2203 1 9 . 1 1 91 91 LYS N N 91 118.871 118.871 119.940 -1.069 19444 2204 1 9 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.099 -0.427 19444 2205 1 9 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.145 -0.435 19444 2206 1 9 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.597 -1.092 19444 2207 1 9 . 1 1 91 91 LYS H H 91 8.325 8.325 8.172 0.153 19444 2208 1 9 . 1 1 92 92 ARG N N 92 117.453 117.453 118.831 -1.378 19444 2209 1 9 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.933 -0.058 19444 2210 1 9 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.466 0.415 19444 2211 1 9 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.095 -0.310 19444 2212 1 9 . 1 1 92 92 ARG H H 92 7.069 7.069 7.682 -0.613 19444 2213 1 9 . 1 1 93 93 SER N N 93 110.842 110.842 113.686 -2.844 19444 2214 1 9 . 1 1 93 93 SER HA H 93 4.513 4.513 4.216 0.297 19444 2215 1 9 . 1 1 93 93 SER CA C 93 58.762 58.762 60.399 -1.637 19444 2216 1 9 . 1 1 93 93 SER CB C 93 64.164 64.164 63.926 0.238 19444 2217 1 9 . 1 1 93 93 SER H H 93 7.427 7.427 7.693 -0.266 19444 2218 1 9 . 1 1 94 94 GLU N N 94 121.732 121.732 118.929 2.803 19444 2219 1 9 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.996 -0.319 19444 2220 1 9 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.741 0.145 19444 2221 1 9 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.198 -0.144 19444 2222 1 9 . 1 1 94 94 GLU H H 94 7.629 7.629 7.748 -0.119 19444 2223 1 9 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.409 -0.101 19444 2224 1 9 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.681 0.950 19444 2225 1 9 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.076 -0.592 19444 2226 1 9 . 1 1 96 96 TRP N N 96 115.321 115.321 115.513 -0.192 19444 2227 1 9 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.704 -0.049 19444 2228 1 9 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.131 1.635 19444 2229 1 9 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.264 -0.248 19444 2230 1 9 . 1 1 96 96 TRP H H 96 6.840 6.840 6.881 -0.041 19444 2231 1 9 . 1 1 97 97 LEU N N 97 125.159 125.159 122.876 2.283 19444 2232 1 9 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.340 -0.163 19444 2233 1 9 . 1 1 97 97 LEU CA C 97 56.099 56.099 55.257 0.842 19444 2234 1 9 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.568 0.660 19444 2235 1 9 . 1 1 97 97 LEU H H 97 7.287 7.287 7.172 0.115 19444 2236 1 9 . 1 1 98 98 ARG N N 98 128.515 128.515 123.892 4.623 19444 2237 1 9 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.704 -0.116 19444 2238 1 9 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.052 0.038 19444 2239 1 9 . 1 1 98 98 ARG CB C 98 31.336 31.336 32.761 -1.425 19444 2240 1 9 . 1 1 98 98 ARG H H 98 8.898 8.898 8.481 0.417 19444 2241 1 9 . 1 1 99 99 LEU N N 99 127.834 127.834 124.371 3.463 19444 2242 1 9 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.465 -0.869 19444 2243 1 9 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.567 1.011 19444 2244 1 9 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.214 -4.040 19444 2245 1 9 . 1 1 99 99 LEU H H 99 8.362 8.362 8.933 -0.571 19444 2246 1 9 . 1 1 100 100 ASP N N 100 127.038 127.038 128.499 -1.461 19444 2247 1 9 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.894 -0.182 19444 2248 1 9 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.089 -1.075 19444 2249 1 9 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.944 -0.547 19444 2250 1 9 . 1 1 100 100 ASP H H 100 7.998 7.998 8.698 -0.701 19444 2251 1 9 . 1 1 101 101 MET N N 101 122.551 122.551 118.387 4.164 19444 2252 1 9 . 1 1 101 101 MET HA H 101 4.533 4.533 4.586 -0.053 19444 2253 1 9 . 1 1 101 101 MET CA C 101 53.583 53.583 54.436 -0.853 19444 2254 1 9 . 1 1 101 101 MET CB C 101 33.400 33.400 33.746 -0.346 19444 2255 1 9 . 1 1 101 101 MET H H 101 8.761 8.761 7.765 0.996 19444 2256 1 9 . 1 1 102 102 SER N N 102 116.261 116.261 116.017 0.244 19444 2257 1 9 . 1 1 102 102 SER HA H 102 4.191 4.191 4.316 -0.125 19444 2258 1 9 . 1 1 102 102 SER CA C 102 58.655 58.655 57.861 0.794 19444 2259 1 9 . 1 1 102 102 SER CB C 102 64.764 64.764 64.493 0.271 19444 2260 1 9 . 1 1 102 102 SER H H 102 8.212 8.212 7.687 0.525 19444 2261 1 9 . 1 1 103 103 ASP N N 103 121.700 121.700 121.230 0.470 19444 2262 1 9 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.092 -0.279 19444 2263 1 9 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.344 0.124 19444 2264 1 9 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.996 -1.212 19444 2265 1 9 . 1 1 103 103 ASP H H 103 8.791 8.791 8.949 -0.158 19444 2266 1 9 . 1 1 104 104 LYS N N 104 116.308 116.308 119.847 -3.539 19444 2267 1 9 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.265 -0.484 19444 2268 1 9 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.705 1.135 19444 2269 1 9 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.881 0.291 19444 2270 1 9 . 1 1 104 104 LYS H H 104 7.886 7.886 8.244 -0.358 19444 2271 1 9 . 1 1 105 105 ALA N N 105 122.364 122.364 123.649 -1.285 19444 2272 1 9 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.273 -0.313 19444 2273 1 9 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.980 0.058 19444 2274 1 9 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.404 -0.463 19444 2275 1 9 . 1 1 105 105 ALA H H 105 7.343 7.343 7.793 -0.450 19444 2276 1 9 . 1 1 106 106 ILE N N 106 119.713 119.713 119.214 0.499 19444 2277 1 9 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.608 -0.130 19444 2278 1 9 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.705 0.493 19444 2279 1 9 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.717 -0.194 19444 2280 1 9 . 1 1 106 106 ILE H H 106 8.124 8.124 8.286 -0.162 19444 2281 1 9 . 1 1 107 107 PHE N N 107 117.557 117.557 118.944 -1.387 19444 2282 1 9 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.608 -0.162 19444 2283 1 9 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.695 -2.768 19444 2284 1 9 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.061 -0.797 19444 2285 1 9 . 1 1 107 107 PHE H H 107 8.448 8.448 8.080 0.368 19444 2286 1 9 . 1 1 108 108 ARG N N 108 117.407 117.407 119.008 -1.601 19444 2287 1 9 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.153 -0.070 19444 2288 1 9 . 1 1 108 108 ARG CA C 108 58.629 58.629 59.043 -0.414 19444 2289 1 9 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.266 0.194 19444 2290 1 9 . 1 1 108 108 ARG H H 108 7.568 7.568 8.466 -0.898 19444 2291 1 9 . 1 1 109 109 ARG N N 109 117.561 117.561 118.528 -0.967 19444 2292 1 9 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.114 -0.116 19444 2293 1 9 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.356 -0.801 19444 2294 1 9 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.453 0.134 19444 2295 1 9 . 1 1 109 109 ARG H H 109 7.281 7.281 7.855 -0.574 19444 2296 1 9 . 1 1 110 110 TYR N N 110 116.115 116.115 117.357 -1.242 19444 2297 1 9 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444 2298 1 9 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.034 -0.532 19444 2299 1 9 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.502 -1.012 19444 2300 1 9 . 1 1 110 110 TYR H H 110 8.877 8.877 8.302 0.575 19444 2301 1 9 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.616 -0.137 19444 2302 1 9 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.385 0.408 19444 2303 1 9 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.169 -0.498 19444 2304 1 9 . 1 1 112 112 HIS N N 112 116.277 116.277 115.058 1.219 19444 2305 1 9 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.455 -0.023 19444 2306 1 9 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.201 1.273 19444 2307 1 9 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.778 1.043 19444 2308 1 9 . 1 1 112 112 HIS H H 112 8.300 8.300 8.492 -0.192 19444 2309 1 9 . 1 1 113 113 LEU N N 113 120.770 120.770 119.455 1.315 19444 2310 1 9 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.107 -0.006 19444 2311 1 9 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.426 -1.223 19444 2312 1 9 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.418 1.459 19444 2313 1 9 . 1 1 113 113 LEU H H 113 7.518 7.518 7.103 0.415 19444 2314 1 10 . 1 1 59 59 ALA N N 59 123.352 123.352 122.294 1.058 19444 2315 1 10 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.504 -0.220 19444 2316 1 10 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.650 0.646 19444 2317 1 10 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.329 -0.696 19444 2318 1 10 . 1 1 59 59 ALA H H 59 7.997 7.997 7.693 0.304 19444 2319 1 10 . 1 1 60 60 LEU N N 60 120.985 120.985 119.982 1.003 19444 2320 1 10 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.514 -0.061 19444 2321 1 10 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.294 -0.007 19444 2322 1 10 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.040 0.215 19444 2323 1 10 . 1 1 60 60 LEU H H 60 8.169 8.169 8.007 0.162 19444 2324 1 10 . 1 1 61 61 ALA N N 61 125.303 125.303 123.516 1.787 19444 2325 1 10 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.709 -0.212 19444 2326 1 10 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.741 0.486 19444 2327 1 10 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.666 -1.490 19444 2328 1 10 . 1 1 61 61 ALA H H 61 8.445 8.445 8.229 0.216 19444 2329 1 10 . 1 1 62 62 ALA N N 62 127.804 127.804 125.194 2.610 19444 2330 1 10 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.741 -0.425 19444 2331 1 10 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.940 1.069 19444 2332 1 10 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.985 -1.000 19444 2333 1 10 . 1 1 62 62 ALA H H 62 8.583 8.583 9.085 -0.502 19444 2334 1 10 . 1 1 63 63 LEU N N 63 120.096 120.096 121.550 -1.454 19444 2335 1 10 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.973 -0.089 19444 2336 1 10 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.836 -0.944 19444 2337 1 10 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.318 -1.186 19444 2338 1 10 . 1 1 63 63 LEU H H 63 8.077 8.077 8.309 -0.232 19444 2339 1 10 . 1 1 64 64 HIS N N 64 122.245 122.245 118.828 3.417 19444 2340 1 10 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.588 -0.348 19444 2341 1 10 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.052 0.974 19444 2342 1 10 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.422 -0.084 19444 2343 1 10 . 1 1 64 64 HIS H H 64 8.629 8.629 8.714 -0.085 19444 2344 1 10 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.298 0.052 19444 2345 1 10 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.154 0.195 19444 2346 1 10 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.697 0.021 19444 2347 1 10 . 1 1 66 66 ASP N N 66 115.211 115.211 115.049 0.162 19444 2348 1 10 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444 2349 1 10 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444 2350 1 10 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.783 -0.032 19444 2351 1 10 . 1 1 66 66 ASP H H 66 7.869 7.869 7.791 0.078 19444 2352 1 10 . 1 1 67 67 GLY N N 67 105.349 105.349 109.750 -4.401 19444 2353 1 10 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.056 0.210 19444 2354 1 10 . 1 1 67 67 GLY H H 67 8.441 8.441 8.377 0.064 19444 2355 1 10 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444 2356 1 10 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.001 -0.797 19444 2357 1 10 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444 2358 1 10 . 1 1 69 69 HIS N N 69 116.893 116.893 115.357 1.536 19444 2359 1 10 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.726 -0.041 19444 2360 1 10 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.623 0.363 19444 2361 1 10 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.314 0.162 19444 2362 1 10 . 1 1 69 69 HIS H H 69 8.503 8.503 8.130 0.373 19444 2363 1 10 . 1 1 70 70 ALA N N 70 120.705 120.705 122.008 -1.303 19444 2364 1 10 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.102 -0.535 19444 2365 1 10 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.688 0.091 19444 2366 1 10 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.289 -0.089 19444 2367 1 10 . 1 1 70 70 ALA H H 70 6.892 6.892 7.494 -0.602 19444 2368 1 10 . 1 1 71 71 GLY N N 71 109.407 109.407 113.865 -4.458 19444 2369 1 10 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.996 0.350 19444 2370 1 10 . 1 1 71 71 GLY H H 71 9.144 9.144 9.017 0.127 19444 2371 1 10 . 1 1 72 72 LEU N N 72 119.969 119.969 121.816 -1.847 19444 2372 1 10 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.741 0.119 19444 2373 1 10 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.507 -0.431 19444 2374 1 10 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.698 -0.234 19444 2375 1 10 . 1 1 72 72 LEU H H 72 8.255 8.255 8.197 0.058 19444 2376 1 10 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.654 0.184 19444 2377 1 10 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.742 -1.232 19444 2378 1 10 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.207 -0.800 19444 2379 1 10 . 1 1 74 74 VAL N N 74 121.438 121.438 119.546 1.892 19444 2380 1 10 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.963 -0.474 19444 2381 1 10 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.210 1.443 19444 2382 1 10 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.276 -0.953 19444 2383 1 10 . 1 1 74 74 VAL H H 74 7.729 7.729 8.184 -0.455 19444 2384 1 10 . 1 1 75 75 THR N N 75 108.826 108.826 109.624 -0.798 19444 2385 1 10 . 1 1 75 75 THR HA H 75 5.015 5.015 4.567 0.448 19444 2386 1 10 . 1 1 75 75 THR CA C 75 59.822 59.822 59.002 0.820 19444 2387 1 10 . 1 1 75 75 THR CB C 75 74.087 74.087 71.811 2.276 19444 2388 1 10 . 1 1 75 75 THR H H 75 8.763 8.763 8.080 0.683 19444 2389 1 10 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.666 0.264 19444 2390 1 10 . 1 1 77 77 SER N N 77 114.493 114.493 113.915 0.578 19444 2391 1 10 . 1 1 77 77 SER HA H 77 4.133 4.133 4.055 0.078 19444 2392 1 10 . 1 1 77 77 SER CA C 77 60.600 60.600 61.735 -1.135 19444 2393 1 10 . 1 1 77 77 SER CB C 77 62.378 62.378 62.764 -0.386 19444 2394 1 10 . 1 1 77 77 SER H H 77 8.231 8.231 8.041 0.190 19444 2395 1 10 . 1 1 78 78 ASP N N 78 120.698 120.698 122.649 -1.951 19444 2396 1 10 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.278 0.130 19444 2397 1 10 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.395 0.684 19444 2398 1 10 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.367 2.967 19444 2399 1 10 . 1 1 78 78 ASP H H 78 7.388 7.388 7.990 -0.602 19444 2400 1 10 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444 2401 1 10 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.780 -0.056 19444 2402 1 10 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.037 -0.136 19444 2403 1 10 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.145 1.601 19444 2404 1 10 . 1 1 79 79 ALA H H 79 7.873 7.873 8.192 -0.319 19444 2405 1 10 . 1 1 80 80 ARG N N 80 116.347 116.347 119.059 -2.712 19444 2406 1 10 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.902 -0.094 19444 2407 1 10 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.400 2.167 19444 2408 1 10 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.204 0.227 19444 2409 1 10 . 1 1 80 80 ARG H H 80 8.117 8.117 8.095 0.022 19444 2410 1 10 . 1 1 81 81 VAL N N 81 119.158 119.158 119.963 -0.805 19444 2411 1 10 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.833 -0.165 19444 2412 1 10 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.798 0.115 19444 2413 1 10 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444 2414 1 10 . 1 1 81 81 VAL H H 81 7.373 7.373 8.205 -0.832 19444 2415 1 10 . 1 1 82 82 LEU N N 82 118.515 118.515 121.851 -3.336 19444 2416 1 10 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.831 0.281 19444 2417 1 10 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.697 -0.442 19444 2418 1 10 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.856 -0.352 19444 2419 1 10 . 1 1 82 82 LEU H H 82 7.589 7.589 8.291 -0.702 19444 2420 1 10 . 1 1 83 83 ILE N N 83 121.181 121.181 119.300 1.881 19444 2421 1 10 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.643 0.131 19444 2422 1 10 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.784 0.047 19444 2423 1 10 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.965 0.623 19444 2424 1 10 . 1 1 83 83 ILE H H 83 8.755 8.755 8.177 0.578 19444 2425 1 10 . 1 1 84 84 PHE N N 84 123.192 123.192 119.948 3.244 19444 2426 1 10 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.099 0.063 19444 2427 1 10 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.356 0.300 19444 2428 1 10 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.057 0.007 19444 2429 1 10 . 1 1 84 84 PHE H H 84 8.683 8.683 8.701 -0.018 19444 2430 1 10 . 1 1 85 85 ASN N N 85 118.056 118.056 117.771 0.285 19444 2431 1 10 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.295 0.170 19444 2432 1 10 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.014 -0.867 19444 2433 1 10 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.454 -0.551 19444 2434 1 10 . 1 1 85 85 ASN H H 85 8.892 8.892 8.676 0.216 19444 2435 1 10 . 1 1 86 86 ASP N N 86 120.374 120.374 121.055 -0.681 19444 2436 1 10 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.362 0.090 19444 2437 1 10 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.831 -0.534 19444 2438 1 10 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.000 1.267 19444 2439 1 10 . 1 1 86 86 ASP H H 86 8.146 8.146 8.267 -0.121 19444 2440 1 10 . 1 1 87 87 TRP N N 87 121.401 121.401 121.935 -0.534 19444 2441 1 10 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.132 -0.175 19444 2442 1 10 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.434 0.353 19444 2443 1 10 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.557 -1.611 19444 2444 1 10 . 1 1 87 87 TRP H H 87 8.121 8.121 8.646 -0.525 19444 2445 1 10 . 1 1 88 88 GLU N N 88 117.779 117.779 118.937 -1.158 19444 2446 1 10 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.137 -0.191 19444 2447 1 10 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.504 0.166 19444 2448 1 10 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.729 0.811 19444 2449 1 10 . 1 1 88 88 GLU H H 88 8.613 8.613 8.385 0.228 19444 2450 1 10 . 1 1 89 89 GLU N N 89 116.209 116.209 119.557 -3.348 19444 2451 1 10 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.881 0.120 19444 2452 1 10 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.609 -1.119 19444 2453 1 10 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444 2454 1 10 . 1 1 89 89 GLU H H 89 7.456 7.456 7.932 -0.476 19444 2455 1 10 . 1 1 90 90 ARG N N 90 119.957 119.957 118.142 1.815 19444 2456 1 10 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.993 -0.040 19444 2457 1 10 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.761 0.816 19444 2458 1 10 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.748 1.983 19444 2459 1 10 . 1 1 90 90 ARG H H 90 8.134 8.134 8.200 -0.066 19444 2460 1 10 . 1 1 91 91 LYS N N 91 118.871 118.871 120.743 -1.872 19444 2461 1 10 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.006 -0.334 19444 2462 1 10 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.624 -0.914 19444 2463 1 10 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.700 -1.195 19444 2464 1 10 . 1 1 91 91 LYS H H 91 8.325 8.325 8.059 0.266 19444 2465 1 10 . 1 1 92 92 ARG N N 92 117.453 117.453 118.163 -0.710 19444 2466 1 10 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.993 -0.118 19444 2467 1 10 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.179 0.702 19444 2468 1 10 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.749 0.036 19444 2469 1 10 . 1 1 92 92 ARG H H 92 7.069 7.069 7.996 -0.927 19444 2470 1 10 . 1 1 93 93 SER N N 93 110.842 110.842 114.061 -3.219 19444 2471 1 10 . 1 1 93 93 SER HA H 93 4.513 4.513 4.263 0.250 19444 2472 1 10 . 1 1 93 93 SER CA C 93 58.762 58.762 60.422 -1.661 19444 2473 1 10 . 1 1 93 93 SER CB C 93 64.164 64.164 63.978 0.186 19444 2474 1 10 . 1 1 93 93 SER H H 93 7.427 7.427 7.696 -0.269 19444 2475 1 10 . 1 1 94 94 GLU N N 94 121.732 121.732 118.912 2.820 19444 2476 1 10 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.059 -0.382 19444 2477 1 10 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.816 0.070 19444 2478 1 10 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.305 -0.251 19444 2479 1 10 . 1 1 94 94 GLU H H 94 7.629 7.629 7.673 -0.044 19444 2480 1 10 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.354 -0.046 19444 2481 1 10 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.245 0.386 19444 2482 1 10 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.810 -0.326 19444 2483 1 10 . 1 1 96 96 TRP N N 96 115.321 115.321 116.227 -0.906 19444 2484 1 10 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.736 -0.081 19444 2485 1 10 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.546 2.220 19444 2486 1 10 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.780 -0.764 19444 2487 1 10 . 1 1 96 96 TRP H H 96 6.840 6.840 6.955 -0.115 19444 2488 1 10 . 1 1 97 97 LEU N N 97 125.159 125.159 124.166 0.993 19444 2489 1 10 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.447 -0.270 19444 2490 1 10 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.785 1.314 19444 2491 1 10 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.221 1.007 19444 2492 1 10 . 1 1 97 97 LEU H H 97 7.287 7.287 7.332 -0.045 19444 2493 1 10 . 1 1 98 98 ARG N N 98 128.515 128.515 128.164 0.351 19444 2494 1 10 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.665 -0.077 19444 2495 1 10 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.756 -0.666 19444 2496 1 10 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.449 -0.113 19444 2497 1 10 . 1 1 98 98 ARG H H 98 8.898 8.898 8.679 0.219 19444 2498 1 10 . 1 1 99 99 LEU N N 99 127.834 127.834 125.535 2.299 19444 2499 1 10 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.303 -0.707 19444 2500 1 10 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.246 0.332 19444 2501 1 10 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.108 -2.934 19444 2502 1 10 . 1 1 99 99 LEU H H 99 8.362 8.362 8.391 -0.029 19444 2503 1 10 . 1 1 100 100 ASP N N 100 127.038 127.038 127.263 -0.225 19444 2504 1 10 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.929 -0.217 19444 2505 1 10 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.178 -1.164 19444 2506 1 10 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.432 -1.034 19444 2507 1 10 . 1 1 100 100 ASP H H 100 7.998 7.998 8.558 -0.560 19444 2508 1 10 . 1 1 101 101 MET N N 101 122.551 122.551 117.791 4.760 19444 2509 1 10 . 1 1 101 101 MET HA H 101 4.533 4.533 4.565 -0.032 19444 2510 1 10 . 1 1 101 101 MET CA C 101 53.583 53.583 54.489 -0.906 19444 2511 1 10 . 1 1 101 101 MET CB C 101 33.400 33.400 33.779 -0.379 19444 2512 1 10 . 1 1 101 101 MET H H 101 8.761 8.761 7.876 0.885 19444 2513 1 10 . 1 1 102 102 SER N N 102 116.261 116.261 115.889 0.372 19444 2514 1 10 . 1 1 102 102 SER HA H 102 4.191 4.191 4.317 -0.126 19444 2515 1 10 . 1 1 102 102 SER CA C 102 58.655 58.655 57.863 0.792 19444 2516 1 10 . 1 1 102 102 SER CB C 102 64.764 64.764 65.306 -0.542 19444 2517 1 10 . 1 1 102 102 SER H H 102 8.212 8.212 7.657 0.555 19444 2518 1 10 . 1 1 103 103 ASP N N 103 121.700 121.700 121.291 0.409 19444 2519 1 10 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.961 -0.148 19444 2520 1 10 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.620 -0.152 19444 2521 1 10 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.258 -1.474 19444 2522 1 10 . 1 1 103 103 ASP H H 103 8.791 8.791 8.953 -0.162 19444 2523 1 10 . 1 1 104 104 LYS N N 104 116.308 116.308 120.870 -4.562 19444 2524 1 10 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.156 -0.375 19444 2525 1 10 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.949 0.890 19444 2526 1 10 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.966 0.206 19444 2527 1 10 . 1 1 104 104 LYS H H 104 7.886 7.886 7.926 -0.040 19444 2528 1 10 . 1 1 105 105 ALA N N 105 122.364 122.364 122.094 0.270 19444 2529 1 10 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.897 0.063 19444 2530 1 10 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.830 0.208 19444 2531 1 10 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.982 -0.041 19444 2532 1 10 . 1 1 105 105 ALA H H 105 7.343 7.343 7.598 -0.255 19444 2533 1 10 . 1 1 106 106 ILE N N 106 119.713 119.713 119.107 0.606 19444 2534 1 10 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.582 -0.104 19444 2535 1 10 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.697 0.501 19444 2536 1 10 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.734 -0.212 19444 2537 1 10 . 1 1 106 106 ILE H H 106 8.124 8.124 8.237 -0.113 19444 2538 1 10 . 1 1 107 107 PHE N N 107 117.557 117.557 118.784 -1.227 19444 2539 1 10 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.570 -0.124 19444 2540 1 10 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.671 -2.744 19444 2541 1 10 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.105 -0.841 19444 2542 1 10 . 1 1 107 107 PHE H H 107 8.448 8.448 8.106 0.342 19444 2543 1 10 . 1 1 108 108 ARG N N 108 117.407 117.407 118.582 -1.175 19444 2544 1 10 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.255 -0.172 19444 2545 1 10 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.127 0.502 19444 2546 1 10 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.975 0.485 19444 2547 1 10 . 1 1 108 108 ARG H H 108 7.568 7.568 8.419 -0.851 19444 2548 1 10 . 1 1 109 109 ARG N N 109 117.561 117.561 118.356 -0.795 19444 2549 1 10 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.101 -0.103 19444 2550 1 10 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.229 -0.674 19444 2551 1 10 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.422 0.165 19444 2552 1 10 . 1 1 109 109 ARG H H 109 7.281 7.281 7.935 -0.654 19444 2553 1 10 . 1 1 110 110 TYR N N 110 116.115 116.115 117.626 -1.511 19444 2554 1 10 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.101 0.227 19444 2555 1 10 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.003 -0.501 19444 2556 1 10 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.186 -0.697 19444 2557 1 10 . 1 1 110 110 TYR H H 110 8.877 8.877 8.287 0.590 19444 2558 1 10 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.611 -0.132 19444 2559 1 10 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.456 0.337 19444 2560 1 10 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.117 -0.446 19444 2561 1 10 . 1 1 112 112 HIS N N 112 116.277 116.277 116.934 -0.657 19444 2562 1 10 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.483 -0.051 19444 2563 1 10 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.663 0.811 19444 2564 1 10 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.044 0.777 19444 2565 1 10 . 1 1 112 112 HIS H H 112 8.300 8.300 8.470 -0.170 19444 2566 1 10 . 1 1 113 113 LEU N N 113 120.770 120.770 119.655 1.115 19444 2567 1 10 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.078 0.023 19444 2568 1 10 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.574 -1.371 19444 2569 1 10 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.383 1.494 19444 2570 1 10 . 1 1 113 113 LEU H H 113 7.518 7.518 7.145 0.373 19444 2571 1 11 . 1 1 59 59 ALA N N 59 123.352 123.352 120.921 2.431 19444 2572 1 11 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.101 0.183 19444 2573 1 11 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.456 -0.160 19444 2574 1 11 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.016 0.617 19444 2575 1 11 . 1 1 59 59 ALA H H 59 7.997 7.997 8.118 -0.121 19444 2576 1 11 . 1 1 60 60 LEU N N 60 120.985 120.985 120.658 0.327 19444 2577 1 11 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.472 -0.019 19444 2578 1 11 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.766 -0.478 19444 2579 1 11 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.526 -0.271 19444 2580 1 11 . 1 1 60 60 LEU H H 60 8.169 8.169 8.175 -0.006 19444 2581 1 11 . 1 1 61 61 ALA N N 61 125.303 125.303 127.474 -2.171 19444 2582 1 11 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.554 -0.057 19444 2583 1 11 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.892 0.335 19444 2584 1 11 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.295 -0.119 19444 2585 1 11 . 1 1 61 61 ALA H H 61 8.445 8.445 8.139 0.306 19444 2586 1 11 . 1 1 62 62 ALA N N 62 127.804 127.804 126.283 1.521 19444 2587 1 11 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.660 -0.344 19444 2588 1 11 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.113 0.896 19444 2589 1 11 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.965 -0.980 19444 2590 1 11 . 1 1 62 62 ALA H H 62 8.583 8.583 9.082 -0.499 19444 2591 1 11 . 1 1 63 63 LEU N N 63 120.096 120.096 121.372 -1.276 19444 2592 1 11 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.012 -0.128 19444 2593 1 11 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.801 -0.909 19444 2594 1 11 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.442 -1.310 19444 2595 1 11 . 1 1 63 63 LEU H H 63 8.077 8.077 8.266 -0.189 19444 2596 1 11 . 1 1 64 64 HIS N N 64 122.245 122.245 118.832 3.413 19444 2597 1 11 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.602 -0.362 19444 2598 1 11 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.014 1.012 19444 2599 1 11 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.439 -0.101 19444 2600 1 11 . 1 1 64 64 HIS H H 64 8.629 8.629 8.682 -0.053 19444 2601 1 11 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.359 -0.009 19444 2602 1 11 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.847 0.502 19444 2603 1 11 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.762 -0.044 19444 2604 1 11 . 1 1 66 66 ASP N N 66 115.211 115.211 115.861 -0.650 19444 2605 1 11 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.777 -0.088 19444 2606 1 11 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.470 -0.948 19444 2607 1 11 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.176 -1.425 19444 2608 1 11 . 1 1 66 66 ASP H H 66 7.869 7.869 7.887 -0.018 19444 2609 1 11 . 1 1 67 67 GLY N N 67 105.349 105.349 108.878 -3.529 19444 2610 1 11 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.019 0.247 19444 2611 1 11 . 1 1 67 67 GLY H H 67 8.441 8.441 8.390 0.051 19444 2612 1 11 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444 2613 1 11 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.011 -0.807 19444 2614 1 11 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.616 -0.095 19444 2615 1 11 . 1 1 69 69 HIS N N 69 116.893 116.893 115.417 1.476 19444 2616 1 11 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.729 -0.044 19444 2617 1 11 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.645 0.341 19444 2618 1 11 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.309 0.168 19444 2619 1 11 . 1 1 69 69 HIS H H 69 8.503 8.503 8.154 0.349 19444 2620 1 11 . 1 1 70 70 ALA N N 70 120.705 120.705 121.995 -1.290 19444 2621 1 11 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.105 -0.538 19444 2622 1 11 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.691 0.088 19444 2623 1 11 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444 2624 1 11 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444 2625 1 11 . 1 1 71 71 GLY N N 71 109.407 109.407 113.625 -4.218 19444 2626 1 11 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.019 0.327 19444 2627 1 11 . 1 1 71 71 GLY H H 71 9.144 9.144 9.011 0.133 19444 2628 1 11 . 1 1 72 72 LEU N N 72 119.969 119.969 121.747 -1.778 19444 2629 1 11 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.762 0.098 19444 2630 1 11 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.419 -0.343 19444 2631 1 11 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.736 -0.272 19444 2632 1 11 . 1 1 72 72 LEU H H 72 8.255 8.255 8.079 0.176 19444 2633 1 11 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.676 0.162 19444 2634 1 11 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.722 -1.212 19444 2635 1 11 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.159 -0.752 19444 2636 1 11 . 1 1 74 74 VAL N N 74 121.438 121.438 120.715 0.723 19444 2637 1 11 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.857 -0.368 19444 2638 1 11 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.212 1.442 19444 2639 1 11 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.099 -0.776 19444 2640 1 11 . 1 1 74 74 VAL H H 74 7.729 7.729 8.272 -0.543 19444 2641 1 11 . 1 1 75 75 THR N N 75 108.826 108.826 109.983 -1.157 19444 2642 1 11 . 1 1 75 75 THR HA H 75 5.015 5.015 4.592 0.423 19444 2643 1 11 . 1 1 75 75 THR CA C 75 59.822 59.822 59.279 0.543 19444 2644 1 11 . 1 1 75 75 THR CB C 75 74.087 74.087 71.834 2.253 19444 2645 1 11 . 1 1 75 75 THR H H 75 8.763 8.763 8.220 0.543 19444 2646 1 11 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.851 0.079 19444 2647 1 11 . 1 1 77 77 SER N N 77 114.493 114.493 114.339 0.154 19444 2648 1 11 . 1 1 77 77 SER HA H 77 4.133 4.133 4.157 -0.024 19444 2649 1 11 . 1 1 77 77 SER CA C 77 60.600 60.600 61.197 -0.597 19444 2650 1 11 . 1 1 77 77 SER CB C 77 62.378 62.378 62.531 -0.153 19444 2651 1 11 . 1 1 77 77 SER H H 77 8.231 8.231 7.904 0.327 19444 2652 1 11 . 1 1 78 78 ASP N N 78 120.698 120.698 121.909 -1.211 19444 2653 1 11 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.311 0.097 19444 2654 1 11 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.370 0.709 19444 2655 1 11 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.420 2.913 19444 2656 1 11 . 1 1 78 78 ASP H H 78 7.388 7.388 8.002 -0.614 19444 2657 1 11 . 1 1 79 79 ALA N N 79 120.570 120.570 122.605 -2.035 19444 2658 1 11 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.791 -0.067 19444 2659 1 11 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.062 -0.161 19444 2660 1 11 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.199 1.547 19444 2661 1 11 . 1 1 79 79 ALA H H 79 7.873 7.873 8.264 -0.391 19444 2662 1 11 . 1 1 80 80 ARG N N 80 116.347 116.347 119.347 -3.000 19444 2663 1 11 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.015 -0.207 19444 2664 1 11 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.505 2.062 19444 2665 1 11 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.302 0.129 19444 2666 1 11 . 1 1 80 80 ARG H H 80 8.117 8.117 8.172 -0.055 19444 2667 1 11 . 1 1 81 81 VAL N N 81 119.158 119.158 119.593 -0.435 19444 2668 1 11 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.885 -0.217 19444 2669 1 11 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.732 0.181 19444 2670 1 11 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.663 0.109 19444 2671 1 11 . 1 1 81 81 VAL H H 81 7.373 7.373 8.265 -0.892 19444 2672 1 11 . 1 1 82 82 LEU N N 82 118.515 118.515 121.459 -2.944 19444 2673 1 11 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.883 0.229 19444 2674 1 11 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.633 -0.378 19444 2675 1 11 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.587 -0.083 19444 2676 1 11 . 1 1 82 82 LEU H H 82 7.589 7.589 8.329 -0.740 19444 2677 1 11 . 1 1 83 83 ILE N N 83 121.181 121.181 119.644 1.537 19444 2678 1 11 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.689 0.085 19444 2679 1 11 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.761 0.070 19444 2680 1 11 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.977 0.611 19444 2681 1 11 . 1 1 83 83 ILE H H 83 8.755 8.755 8.298 0.457 19444 2682 1 11 . 1 1 84 84 PHE N N 84 123.192 123.192 120.264 2.928 19444 2683 1 11 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.101 0.061 19444 2684 1 11 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.344 0.312 19444 2685 1 11 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.095 -0.031 19444 2686 1 11 . 1 1 84 84 PHE H H 84 8.683 8.683 8.611 0.072 19444 2687 1 11 . 1 1 85 85 ASN N N 85 118.056 118.056 117.551 0.505 19444 2688 1 11 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.279 0.186 19444 2689 1 11 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.002 0.145 19444 2690 1 11 . 1 1 85 85 ASN CB C 85 37.903 37.903 37.754 0.149 19444 2691 1 11 . 1 1 85 85 ASN H H 85 8.892 8.892 8.704 0.188 19444 2692 1 11 . 1 1 86 86 ASP N N 86 120.374 120.374 121.546 -1.172 19444 2693 1 11 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.398 0.054 19444 2694 1 11 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.731 -0.434 19444 2695 1 11 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.068 1.199 19444 2696 1 11 . 1 1 86 86 ASP H H 86 8.146 8.146 8.419 -0.273 19444 2697 1 11 . 1 1 87 87 TRP N N 87 121.401 121.401 121.827 -0.426 19444 2698 1 11 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.103 -0.146 19444 2699 1 11 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.742 0.045 19444 2700 1 11 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.561 -1.615 19444 2701 1 11 . 1 1 87 87 TRP H H 87 8.121 8.121 8.328 -0.207 19444 2702 1 11 . 1 1 88 88 GLU N N 88 117.779 117.779 118.828 -1.049 19444 2703 1 11 . 1 1 88 88 GLU HA H 88 2.946 2.946 2.993 -0.047 19444 2704 1 11 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.569 0.100 19444 2705 1 11 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.975 0.565 19444 2706 1 11 . 1 1 88 88 GLU H H 88 8.613 8.613 8.349 0.264 19444 2707 1 11 . 1 1 89 89 GLU N N 89 116.209 116.209 119.605 -3.396 19444 2708 1 11 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.895 0.106 19444 2709 1 11 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.291 -0.801 19444 2710 1 11 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.342 0.546 19444 2711 1 11 . 1 1 89 89 GLU H H 89 7.456 7.456 7.892 -0.436 19444 2712 1 11 . 1 1 90 90 ARG N N 90 119.957 119.957 118.224 1.733 19444 2713 1 11 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.976 -0.023 19444 2714 1 11 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.788 0.789 19444 2715 1 11 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.722 2.009 19444 2716 1 11 . 1 1 90 90 ARG H H 90 8.134 8.134 7.983 0.151 19444 2717 1 11 . 1 1 91 91 LYS N N 91 118.871 118.871 120.407 -1.536 19444 2718 1 11 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.131 -0.459 19444 2719 1 11 . 1 1 91 91 LYS CA C 91 57.710 57.710 57.798 -0.089 19444 2720 1 11 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.541 -1.036 19444 2721 1 11 . 1 1 91 91 LYS H H 91 8.325 8.325 7.972 0.353 19444 2722 1 11 . 1 1 92 92 ARG N N 92 117.453 117.453 118.779 -1.326 19444 2723 1 11 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.923 -0.048 19444 2724 1 11 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.490 0.391 19444 2725 1 11 . 1 1 92 92 ARG CB C 92 29.785 29.785 29.965 -0.180 19444 2726 1 11 . 1 1 92 92 ARG H H 92 7.069 7.069 7.991 -0.922 19444 2727 1 11 . 1 1 93 93 SER N N 93 110.842 110.842 113.872 -3.030 19444 2728 1 11 . 1 1 93 93 SER HA H 93 4.513 4.513 4.209 0.304 19444 2729 1 11 . 1 1 93 93 SER CA C 93 58.762 58.762 60.245 -1.483 19444 2730 1 11 . 1 1 93 93 SER CB C 93 64.164 64.164 63.734 0.430 19444 2731 1 11 . 1 1 93 93 SER H H 93 7.427 7.427 7.850 -0.423 19444 2732 1 11 . 1 1 94 94 GLU N N 94 121.732 121.732 119.272 2.460 19444 2733 1 11 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.033 -0.356 19444 2734 1 11 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.586 0.301 19444 2735 1 11 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.312 -0.258 19444 2736 1 11 . 1 1 94 94 GLU H H 94 7.629 7.629 7.773 -0.144 19444 2737 1 11 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.364 -0.056 19444 2738 1 11 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.318 0.313 19444 2739 1 11 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.833 -0.349 19444 2740 1 11 . 1 1 96 96 TRP N N 96 115.321 115.321 116.669 -1.348 19444 2741 1 11 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.748 -0.093 19444 2742 1 11 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.004 1.762 19444 2743 1 11 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.175 -0.159 19444 2744 1 11 . 1 1 96 96 TRP H H 96 6.840 6.840 6.831 0.009 19444 2745 1 11 . 1 1 97 97 LEU N N 97 125.159 125.159 123.716 1.443 19444 2746 1 11 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.443 -0.266 19444 2747 1 11 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.658 1.441 19444 2748 1 11 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.839 0.389 19444 2749 1 11 . 1 1 97 97 LEU H H 97 7.287 7.287 7.160 0.127 19444 2750 1 11 . 1 1 98 98 ARG N N 98 128.515 128.515 128.435 0.080 19444 2751 1 11 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.618 -0.030 19444 2752 1 11 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.931 -0.841 19444 2753 1 11 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.299 0.037 19444 2754 1 11 . 1 1 98 98 ARG H H 98 8.898 8.898 8.667 0.231 19444 2755 1 11 . 1 1 99 99 LEU N N 99 127.834 127.834 124.470 3.364 19444 2756 1 11 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.337 -0.741 19444 2757 1 11 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.053 0.525 19444 2758 1 11 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.286 -2.112 19444 2759 1 11 . 1 1 99 99 LEU H H 99 8.362 8.362 8.212 0.150 19444 2760 1 11 . 1 1 100 100 ASP N N 100 127.038 127.038 128.544 -1.506 19444 2761 1 11 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.044 -0.332 19444 2762 1 11 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.323 -1.309 19444 2763 1 11 . 1 1 100 100 ASP CB C 100 41.398 41.398 44.381 -2.983 19444 2764 1 11 . 1 1 100 100 ASP H H 100 7.998 7.998 8.518 -0.520 19444 2765 1 11 . 1 1 101 101 MET N N 101 122.551 122.551 118.552 3.999 19444 2766 1 11 . 1 1 101 101 MET HA H 101 4.533 4.533 4.804 -0.271 19444 2767 1 11 . 1 1 101 101 MET CA C 101 53.583 53.583 55.465 -1.882 19444 2768 1 11 . 1 1 101 101 MET CB C 101 33.400 33.400 33.588 -0.188 19444 2769 1 11 . 1 1 101 101 MET H H 101 8.761 8.761 9.186 -0.425 19444 2770 1 11 . 1 1 102 102 SER N N 102 116.261 116.261 117.756 -1.495 19444 2771 1 11 . 1 1 102 102 SER HA H 102 4.191 4.191 4.617 -0.426 19444 2772 1 11 . 1 1 102 102 SER CA C 102 58.655 58.655 57.221 1.433 19444 2773 1 11 . 1 1 102 102 SER CB C 102 64.764 64.764 65.345 -0.581 19444 2774 1 11 . 1 1 102 102 SER H H 102 8.212 8.212 8.035 0.177 19444 2775 1 11 . 1 1 103 103 ASP N N 103 121.700 121.700 121.663 0.037 19444 2776 1 11 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.090 -0.277 19444 2777 1 11 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.367 0.101 19444 2778 1 11 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.252 -1.468 19444 2779 1 11 . 1 1 103 103 ASP H H 103 8.791 8.791 9.007 -0.216 19444 2780 1 11 . 1 1 104 104 LYS N N 104 116.308 116.308 120.279 -3.971 19444 2781 1 11 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.270 -0.489 19444 2782 1 11 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.392 1.448 19444 2783 1 11 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.904 0.268 19444 2784 1 11 . 1 1 104 104 LYS H H 104 7.886 7.886 8.203 -0.317 19444 2785 1 11 . 1 1 105 105 ALA N N 105 122.364 122.364 121.909 0.455 19444 2786 1 11 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.223 -0.263 19444 2787 1 11 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.073 -0.035 19444 2788 1 11 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.244 -0.303 19444 2789 1 11 . 1 1 105 105 ALA H H 105 7.343 7.343 7.891 -0.548 19444 2790 1 11 . 1 1 106 106 ILE N N 106 119.713 119.713 119.320 0.393 19444 2791 1 11 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.636 -0.158 19444 2792 1 11 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.650 0.548 19444 2793 1 11 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.719 -0.196 19444 2794 1 11 . 1 1 106 106 ILE H H 106 8.124 8.124 8.179 -0.055 19444 2795 1 11 . 1 1 107 107 PHE N N 107 117.557 117.557 118.743 -1.186 19444 2796 1 11 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.613 -0.167 19444 2797 1 11 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.603 -2.676 19444 2798 1 11 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.005 -0.741 19444 2799 1 11 . 1 1 107 107 PHE H H 107 8.448 8.448 8.158 0.290 19444 2800 1 11 . 1 1 108 108 ARG N N 108 117.407 117.407 118.777 -1.370 19444 2801 1 11 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.273 -0.190 19444 2802 1 11 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.191 0.438 19444 2803 1 11 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.941 0.519 19444 2804 1 11 . 1 1 108 108 ARG H H 108 7.568 7.568 8.374 -0.806 19444 2805 1 11 . 1 1 109 109 ARG N N 109 117.561 117.561 116.920 0.641 19444 2806 1 11 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.160 -0.162 19444 2807 1 11 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.172 -0.617 19444 2808 1 11 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.390 0.197 19444 2809 1 11 . 1 1 109 109 ARG H H 109 7.281 7.281 8.094 -0.813 19444 2810 1 11 . 1 1 110 110 TYR N N 110 116.115 116.115 117.411 -1.296 19444 2811 1 11 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.059 0.269 19444 2812 1 11 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.335 -0.833 19444 2813 1 11 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.851 -1.362 19444 2814 1 11 . 1 1 110 110 TYR H H 110 8.877 8.877 8.207 0.670 19444 2815 1 11 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.746 -0.267 19444 2816 1 11 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.201 0.592 19444 2817 1 11 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.263 -0.592 19444 2818 1 11 . 1 1 112 112 HIS N N 112 116.277 116.277 115.112 1.165 19444 2819 1 11 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.514 -0.082 19444 2820 1 11 . 1 1 112 112 HIS CA C 112 58.474 58.474 56.962 1.512 19444 2821 1 11 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.864 0.957 19444 2822 1 11 . 1 1 112 112 HIS H H 112 8.300 8.300 8.525 -0.225 19444 2823 1 11 . 1 1 113 113 LEU N N 113 120.770 120.770 120.057 0.713 19444 2824 1 11 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.142 -0.041 19444 2825 1 11 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.450 -1.247 19444 2826 1 11 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.717 1.161 19444 2827 1 11 . 1 1 113 113 LEU H H 113 7.518 7.518 7.185 0.333 19444 2828 1 12 . 1 1 59 59 ALA N N 59 123.352 123.352 122.338 1.014 19444 2829 1 12 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.790 -0.506 19444 2830 1 12 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.687 0.609 19444 2831 1 12 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.634 -1.001 19444 2832 1 12 . 1 1 59 59 ALA H H 59 7.997 7.997 7.868 0.129 19444 2833 1 12 . 1 1 60 60 LEU N N 60 120.985 120.985 120.897 0.088 19444 2834 1 12 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.658 -0.205 19444 2835 1 12 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.665 -0.378 19444 2836 1 12 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.788 -0.533 19444 2837 1 12 . 1 1 60 60 LEU H H 60 8.169 8.169 8.297 -0.128 19444 2838 1 12 . 1 1 61 61 ALA N N 61 125.303 125.303 123.868 1.435 19444 2839 1 12 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.718 -0.221 19444 2840 1 12 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.818 0.409 19444 2841 1 12 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.035 -0.859 19444 2842 1 12 . 1 1 61 61 ALA H H 61 8.445 8.445 8.270 0.175 19444 2843 1 12 . 1 1 62 62 ALA N N 62 127.804 127.804 125.451 2.353 19444 2844 1 12 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.707 -0.391 19444 2845 1 12 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.969 1.040 19444 2846 1 12 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.003 -1.018 19444 2847 1 12 . 1 1 62 62 ALA H H 62 8.583 8.583 9.005 -0.422 19444 2848 1 12 . 1 1 63 63 LEU N N 63 120.096 120.096 121.528 -1.432 19444 2849 1 12 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.873 0.011 19444 2850 1 12 . 1 1 63 63 LEU CA C 63 51.892 51.892 53.610 -1.718 19444 2851 1 12 . 1 1 63 63 LEU CB C 63 44.132 44.132 46.077 -1.945 19444 2852 1 12 . 1 1 63 63 LEU H H 63 8.077 8.077 8.300 -0.223 19444 2853 1 12 . 1 1 64 64 HIS N N 64 122.245 122.245 119.519 2.726 19444 2854 1 12 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.626 -0.386 19444 2855 1 12 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.718 1.308 19444 2856 1 12 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.209 0.129 19444 2857 1 12 . 1 1 64 64 HIS H H 64 8.629 8.629 8.705 -0.076 19444 2858 1 12 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.319 0.031 19444 2859 1 12 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.026 0.323 19444 2860 1 12 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.758 -0.040 19444 2861 1 12 . 1 1 66 66 ASP N N 66 115.211 115.211 115.332 -0.121 19444 2862 1 12 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.741 -0.052 19444 2863 1 12 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444 2864 1 12 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.853 -0.102 19444 2865 1 12 . 1 1 66 66 ASP H H 66 7.869 7.869 7.798 0.071 19444 2866 1 12 . 1 1 67 67 GLY N N 67 105.349 105.349 109.757 -4.408 19444 2867 1 12 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.020 0.246 19444 2868 1 12 . 1 1 67 67 GLY H H 67 8.441 8.441 8.371 0.070 19444 2869 1 12 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.247 -0.128 19444 2870 1 12 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.989 -0.785 19444 2871 1 12 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.611 -0.090 19444 2872 1 12 . 1 1 69 69 HIS N N 69 116.893 116.893 115.413 1.480 19444 2873 1 12 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444 2874 1 12 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.654 0.332 19444 2875 1 12 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.316 0.161 19444 2876 1 12 . 1 1 69 69 HIS H H 69 8.503 8.503 8.151 0.352 19444 2877 1 12 . 1 1 70 70 ALA N N 70 120.705 120.705 121.971 -1.266 19444 2878 1 12 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.126 -0.559 19444 2879 1 12 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.671 0.108 19444 2880 1 12 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.303 -0.103 19444 2881 1 12 . 1 1 70 70 ALA H H 70 6.892 6.892 7.478 -0.586 19444 2882 1 12 . 1 1 71 71 GLY N N 71 109.407 109.407 113.501 -4.094 19444 2883 1 12 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.013 0.333 19444 2884 1 12 . 1 1 71 71 GLY H H 71 9.144 9.144 8.980 0.164 19444 2885 1 12 . 1 1 72 72 LEU N N 72 119.969 119.969 121.261 -1.292 19444 2886 1 12 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.842 0.018 19444 2887 1 12 . 1 1 72 72 LEU CA C 72 52.076 52.076 51.997 0.079 19444 2888 1 12 . 1 1 72 72 LEU CB C 72 41.464 41.464 42.083 -0.619 19444 2889 1 12 . 1 1 72 72 LEU H H 72 8.255 8.255 8.132 0.123 19444 2890 1 12 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.608 0.230 19444 2891 1 12 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.856 -1.346 19444 2892 1 12 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.184 -0.777 19444 2893 1 12 . 1 1 74 74 VAL N N 74 121.438 121.438 119.712 1.726 19444 2894 1 12 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.956 -0.467 19444 2895 1 12 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.027 1.626 19444 2896 1 12 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.201 -0.878 19444 2897 1 12 . 1 1 74 74 VAL H H 74 7.729 7.729 8.247 -0.518 19444 2898 1 12 . 1 1 75 75 THR N N 75 108.826 108.826 109.983 -1.157 19444 2899 1 12 . 1 1 75 75 THR HA H 75 5.015 5.015 4.616 0.399 19444 2900 1 12 . 1 1 75 75 THR CA C 75 59.822 59.822 59.268 0.554 19444 2901 1 12 . 1 1 75 75 THR CB C 75 74.087 74.087 71.862 2.225 19444 2902 1 12 . 1 1 75 75 THR H H 75 8.763 8.763 8.260 0.503 19444 2903 1 12 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.751 0.179 19444 2904 1 12 . 1 1 77 77 SER N N 77 114.493 114.493 114.907 -0.414 19444 2905 1 12 . 1 1 77 77 SER HA H 77 4.133 4.133 4.062 0.071 19444 2906 1 12 . 1 1 77 77 SER CA C 77 60.600 60.600 61.877 -1.277 19444 2907 1 12 . 1 1 77 77 SER CB C 77 62.378 62.378 62.715 -0.338 19444 2908 1 12 . 1 1 77 77 SER H H 77 8.231 8.231 8.356 -0.125 19444 2909 1 12 . 1 1 78 78 ASP N N 78 120.698 120.698 122.537 -1.839 19444 2910 1 12 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.324 0.084 19444 2911 1 12 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.338 0.741 19444 2912 1 12 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.330 3.004 19444 2913 1 12 . 1 1 78 78 ASP H H 78 7.388 7.388 7.999 -0.611 19444 2914 1 12 . 1 1 79 79 ALA N N 79 120.570 120.570 122.685 -2.115 19444 2915 1 12 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.827 -0.103 19444 2916 1 12 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.102 -0.201 19444 2917 1 12 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.195 1.551 19444 2918 1 12 . 1 1 79 79 ALA H H 79 7.873 7.873 8.272 -0.399 19444 2919 1 12 . 1 1 80 80 ARG N N 80 116.347 116.347 119.126 -2.779 19444 2920 1 12 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.032 -0.224 19444 2921 1 12 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.440 2.127 19444 2922 1 12 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.364 0.067 19444 2923 1 12 . 1 1 80 80 ARG H H 80 8.117 8.117 8.104 0.013 19444 2924 1 12 . 1 1 81 81 VAL N N 81 119.158 119.158 120.312 -1.154 19444 2925 1 12 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.803 -0.135 19444 2926 1 12 . 1 1 81 81 VAL CA C 81 66.913 66.913 67.006 -0.093 19444 2927 1 12 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.716 0.056 19444 2928 1 12 . 1 1 81 81 VAL H H 81 7.373 7.373 8.265 -0.892 19444 2929 1 12 . 1 1 82 82 LEU N N 82 118.515 118.515 120.594 -2.079 19444 2930 1 12 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.953 0.159 19444 2931 1 12 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.440 -0.185 19444 2932 1 12 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.601 -0.097 19444 2933 1 12 . 1 1 82 82 LEU H H 82 7.589 7.589 8.227 -0.638 19444 2934 1 12 . 1 1 83 83 ILE N N 83 121.181 121.181 119.780 1.401 19444 2935 1 12 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.676 0.098 19444 2936 1 12 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.864 -0.033 19444 2937 1 12 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.987 0.601 19444 2938 1 12 . 1 1 83 83 ILE H H 83 8.755 8.755 8.407 0.348 19444 2939 1 12 . 1 1 84 84 PHE N N 84 123.192 123.192 119.701 3.491 19444 2940 1 12 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.121 0.041 19444 2941 1 12 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.101 0.555 19444 2942 1 12 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.209 -0.145 19444 2943 1 12 . 1 1 84 84 PHE H H 84 8.683 8.683 8.578 0.105 19444 2944 1 12 . 1 1 85 85 ASN N N 85 118.056 118.056 117.839 0.217 19444 2945 1 12 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.284 0.181 19444 2946 1 12 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.890 -0.743 19444 2947 1 12 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.529 -0.626 19444 2948 1 12 . 1 1 85 85 ASN H H 85 8.892 8.892 8.723 0.169 19444 2949 1 12 . 1 1 86 86 ASP N N 86 120.374 120.374 121.155 -0.781 19444 2950 1 12 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.454 -0.002 19444 2951 1 12 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.697 -0.400 19444 2952 1 12 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.806 1.461 19444 2953 1 12 . 1 1 86 86 ASP H H 86 8.146 8.146 8.325 -0.179 19444 2954 1 12 . 1 1 87 87 TRP N N 87 121.401 121.401 122.156 -0.755 19444 2955 1 12 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.133 -0.176 19444 2956 1 12 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.392 0.395 19444 2957 1 12 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.574 -1.628 19444 2958 1 12 . 1 1 87 87 TRP H H 87 8.121 8.121 8.540 -0.419 19444 2959 1 12 . 1 1 88 88 GLU N N 88 117.779 117.779 118.684 -0.905 19444 2960 1 12 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.056 -0.110 19444 2961 1 12 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.671 -0.001 19444 2962 1 12 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.955 0.585 19444 2963 1 12 . 1 1 88 88 GLU H H 88 8.613 8.613 8.502 0.111 19444 2964 1 12 . 1 1 89 89 GLU N N 89 116.209 116.209 119.631 -3.422 19444 2965 1 12 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.931 0.070 19444 2966 1 12 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.340 -0.850 19444 2967 1 12 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.537 0.351 19444 2968 1 12 . 1 1 89 89 GLU H H 89 7.456 7.456 7.970 -0.514 19444 2969 1 12 . 1 1 90 90 ARG N N 90 119.957 119.957 118.848 1.109 19444 2970 1 12 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.875 0.078 19444 2971 1 12 . 1 1 90 90 ARG CA C 90 58.577 58.577 59.180 -0.603 19444 2972 1 12 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.122 1.609 19444 2973 1 12 . 1 1 90 90 ARG H H 90 8.134 8.134 8.072 0.062 19444 2974 1 12 . 1 1 91 91 LYS N N 91 118.871 118.871 120.290 -1.419 19444 2975 1 12 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.008 -0.336 19444 2976 1 12 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.550 -0.840 19444 2977 1 12 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.636 -1.131 19444 2978 1 12 . 1 1 91 91 LYS H H 91 8.325 8.325 7.999 0.326 19444 2979 1 12 . 1 1 92 92 ARG N N 92 117.453 117.453 118.647 -1.194 19444 2980 1 12 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.928 -0.053 19444 2981 1 12 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.501 0.381 19444 2982 1 12 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.118 -0.333 19444 2983 1 12 . 1 1 92 92 ARG H H 92 7.069 7.069 7.904 -0.835 19444 2984 1 12 . 1 1 93 93 SER N N 93 110.842 110.842 113.676 -2.834 19444 2985 1 12 . 1 1 93 93 SER HA H 93 4.513 4.513 4.243 0.270 19444 2986 1 12 . 1 1 93 93 SER CA C 93 58.762 58.762 60.367 -1.605 19444 2987 1 12 . 1 1 93 93 SER CB C 93 64.164 64.164 63.998 0.166 19444 2988 1 12 . 1 1 93 93 SER H H 93 7.427 7.427 7.605 -0.178 19444 2989 1 12 . 1 1 94 94 GLU N N 94 121.732 121.732 118.851 2.881 19444 2990 1 12 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.053 -0.376 19444 2991 1 12 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.877 0.009 19444 2992 1 12 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.383 -0.329 19444 2993 1 12 . 1 1 94 94 GLU H H 94 7.629 7.629 7.772 -0.143 19444 2994 1 12 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.356 -0.048 19444 2995 1 12 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.254 0.377 19444 2996 1 12 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.834 -0.350 19444 2997 1 12 . 1 1 96 96 TRP N N 96 115.321 115.321 116.103 -0.782 19444 2998 1 12 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.719 -0.064 19444 2999 1 12 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.082 1.684 19444 3000 1 12 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.173 -0.157 19444 3001 1 12 . 1 1 96 96 TRP H H 96 6.840 6.840 6.831 0.009 19444 3002 1 12 . 1 1 97 97 LEU N N 97 125.159 125.159 123.529 1.630 19444 3003 1 12 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.395 -0.218 19444 3004 1 12 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.799 1.300 19444 3005 1 12 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.562 0.666 19444 3006 1 12 . 1 1 97 97 LEU H H 97 7.287 7.287 7.168 0.119 19444 3007 1 12 . 1 1 98 98 ARG N N 98 128.515 128.515 128.861 -0.346 19444 3008 1 12 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.605 -0.017 19444 3009 1 12 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.827 -0.737 19444 3010 1 12 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.207 0.129 19444 3011 1 12 . 1 1 98 98 ARG H H 98 8.898 8.898 8.660 0.238 19444 3012 1 12 . 1 1 99 99 LEU N N 99 127.834 127.834 123.918 3.916 19444 3013 1 12 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.235 -0.639 19444 3014 1 12 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.089 0.489 19444 3015 1 12 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.125 -2.951 19444 3016 1 12 . 1 1 99 99 LEU H H 99 8.362 8.362 8.237 0.125 19444 3017 1 12 . 1 1 100 100 ASP N N 100 127.038 127.038 126.866 0.172 19444 3018 1 12 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.886 -0.174 19444 3019 1 12 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.265 -1.251 19444 3020 1 12 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.259 -0.861 19444 3021 1 12 . 1 1 100 100 ASP H H 100 7.998 7.998 8.510 -0.512 19444 3022 1 12 . 1 1 101 101 MET N N 101 122.551 122.551 118.204 4.347 19444 3023 1 12 . 1 1 101 101 MET HA H 101 4.533 4.533 4.781 -0.248 19444 3024 1 12 . 1 1 101 101 MET CA C 101 53.583 53.583 55.199 -1.616 19444 3025 1 12 . 1 1 101 101 MET CB C 101 33.400 33.400 34.104 -0.704 19444 3026 1 12 . 1 1 101 101 MET H H 101 8.761 8.761 7.947 0.814 19444 3027 1 12 . 1 1 102 102 SER N N 102 116.261 116.261 119.280 -3.019 19444 3028 1 12 . 1 1 102 102 SER HA H 102 4.191 4.191 4.344 -0.153 19444 3029 1 12 . 1 1 102 102 SER CA C 102 58.655 58.655 58.869 -0.214 19444 3030 1 12 . 1 1 102 102 SER CB C 102 64.764 64.764 64.511 0.253 19444 3031 1 12 . 1 1 102 102 SER H H 102 8.212 8.212 8.005 0.207 19444 3032 1 12 . 1 1 103 103 ASP N N 103 121.700 121.700 124.673 -2.973 19444 3033 1 12 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.104 -0.291 19444 3034 1 12 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.849 -0.382 19444 3035 1 12 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.429 -1.645 19444 3036 1 12 . 1 1 103 103 ASP H H 103 8.791 8.791 8.896 -0.105 19444 3037 1 12 . 1 1 104 104 LYS N N 104 116.308 116.308 119.376 -3.068 19444 3038 1 12 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.285 -0.504 19444 3039 1 12 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.211 0.628 19444 3040 1 12 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.804 0.368 19444 3041 1 12 . 1 1 104 104 LYS H H 104 7.886 7.886 8.535 -0.649 19444 3042 1 12 . 1 1 105 105 ALA N N 105 122.364 122.364 122.490 -0.126 19444 3043 1 12 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.170 -0.210 19444 3044 1 12 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.889 0.149 19444 3045 1 12 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.054 -0.113 19444 3046 1 12 . 1 1 105 105 ALA H H 105 7.343 7.343 7.609 -0.266 19444 3047 1 12 . 1 1 106 106 ILE N N 106 119.713 119.713 119.403 0.310 19444 3048 1 12 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.628 -0.150 19444 3049 1 12 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.587 0.611 19444 3050 1 12 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.635 -0.112 19444 3051 1 12 . 1 1 106 106 ILE H H 106 8.124 8.124 8.026 0.098 19444 3052 1 12 . 1 1 107 107 PHE N N 107 117.557 117.557 118.461 -0.904 19444 3053 1 12 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.587 -0.141 19444 3054 1 12 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.466 -2.539 19444 3055 1 12 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.951 -0.687 19444 3056 1 12 . 1 1 107 107 PHE H H 107 8.448 8.448 8.251 0.197 19444 3057 1 12 . 1 1 108 108 ARG N N 108 117.407 117.407 118.454 -1.047 19444 3058 1 12 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.237 -0.154 19444 3059 1 12 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.040 0.589 19444 3060 1 12 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.929 0.531 19444 3061 1 12 . 1 1 108 108 ARG H H 108 7.568 7.568 8.209 -0.641 19444 3062 1 12 . 1 1 109 109 ARG N N 109 117.561 117.561 117.272 0.289 19444 3063 1 12 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.150 -0.152 19444 3064 1 12 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.496 0.059 19444 3065 1 12 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.143 0.444 19444 3066 1 12 . 1 1 109 109 ARG H H 109 7.281 7.281 8.055 -0.774 19444 3067 1 12 . 1 1 110 110 TYR N N 110 116.115 116.115 117.609 -1.494 19444 3068 1 12 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.097 0.231 19444 3069 1 12 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.315 -0.813 19444 3070 1 12 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.500 -1.011 19444 3071 1 12 . 1 1 110 110 TYR H H 110 8.877 8.877 8.269 0.608 19444 3072 1 12 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.658 -0.179 19444 3073 1 12 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.379 0.414 19444 3074 1 12 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.185 -0.514 19444 3075 1 12 . 1 1 112 112 HIS N N 112 116.277 116.277 116.974 -0.697 19444 3076 1 12 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.502 -0.070 19444 3077 1 12 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.558 0.916 19444 3078 1 12 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.988 0.834 19444 3079 1 12 . 1 1 112 112 HIS H H 112 8.300 8.300 8.518 -0.218 19444 3080 1 12 . 1 1 113 113 LEU N N 113 120.770 120.770 119.665 1.105 19444 3081 1 12 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.114 -0.013 19444 3082 1 12 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.361 -1.157 19444 3083 1 12 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.425 1.452 19444 3084 1 12 . 1 1 113 113 LEU H H 113 7.518 7.518 7.155 0.363 19444 3085 1 13 . 1 1 59 59 ALA N N 59 123.352 123.352 125.445 -2.093 19444 3086 1 13 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.652 -0.368 19444 3087 1 13 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.768 0.528 19444 3088 1 13 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.966 -1.333 19444 3089 1 13 . 1 1 59 59 ALA H H 59 7.997 7.997 8.333 -0.336 19444 3090 1 13 . 1 1 60 60 LEU N N 60 120.985 120.985 121.013 -0.028 19444 3091 1 13 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.443 0.010 19444 3092 1 13 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.648 -0.361 19444 3093 1 13 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.728 0.527 19444 3094 1 13 . 1 1 60 60 LEU H H 60 8.169 8.169 8.346 -0.177 19444 3095 1 13 . 1 1 61 61 ALA N N 61 125.303 125.303 124.132 1.171 19444 3096 1 13 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.620 -0.123 19444 3097 1 13 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.804 0.423 19444 3098 1 13 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.137 -0.961 19444 3099 1 13 . 1 1 61 61 ALA H H 61 8.445 8.445 8.139 0.306 19444 3100 1 13 . 1 1 62 62 ALA N N 62 127.804 127.804 126.445 1.359 19444 3101 1 13 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.647 -0.331 19444 3102 1 13 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.252 0.757 19444 3103 1 13 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.853 -0.868 19444 3104 1 13 . 1 1 62 62 ALA H H 62 8.583 8.583 9.075 -0.492 19444 3105 1 13 . 1 1 63 63 LEU N N 63 120.096 120.096 121.552 -1.456 19444 3106 1 13 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.007 -0.123 19444 3107 1 13 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.770 -0.878 19444 3108 1 13 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.420 -1.288 19444 3109 1 13 . 1 1 63 63 LEU H H 63 8.077 8.077 8.258 -0.181 19444 3110 1 13 . 1 1 64 64 HIS N N 64 122.245 122.245 118.875 3.370 19444 3111 1 13 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.599 -0.359 19444 3112 1 13 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.964 1.062 19444 3113 1 13 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.341 -0.003 19444 3114 1 13 . 1 1 64 64 HIS H H 64 8.629 8.629 8.645 -0.016 19444 3115 1 13 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.286 0.064 19444 3116 1 13 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.221 0.127 19444 3117 1 13 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.673 0.045 19444 3118 1 13 . 1 1 66 66 ASP N N 66 115.211 115.211 114.947 0.264 19444 3119 1 13 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444 3120 1 13 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444 3121 1 13 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.805 -0.054 19444 3122 1 13 . 1 1 66 66 ASP H H 66 7.869 7.869 7.791 0.078 19444 3123 1 13 . 1 1 67 67 GLY N N 67 105.349 105.349 109.793 -4.444 19444 3124 1 13 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.057 0.209 19444 3125 1 13 . 1 1 67 67 GLY H H 67 8.441 8.441 8.377 0.064 19444 3126 1 13 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.249 -0.130 19444 3127 1 13 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.021 -0.817 19444 3128 1 13 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444 3129 1 13 . 1 1 69 69 HIS N N 69 116.893 116.893 115.378 1.515 19444 3130 1 13 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444 3131 1 13 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.640 0.346 19444 3132 1 13 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.314 0.163 19444 3133 1 13 . 1 1 69 69 HIS H H 69 8.503 8.503 8.162 0.341 19444 3134 1 13 . 1 1 70 70 ALA N N 70 120.705 120.705 122.011 -1.306 19444 3135 1 13 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.120 -0.553 19444 3136 1 13 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.677 0.102 19444 3137 1 13 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.096 19444 3138 1 13 . 1 1 70 70 ALA H H 70 6.892 6.892 7.479 -0.587 19444 3139 1 13 . 1 1 71 71 GLY N N 71 109.407 109.407 113.755 -4.348 19444 3140 1 13 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.999 0.346 19444 3141 1 13 . 1 1 71 71 GLY H H 71 9.144 9.144 9.016 0.128 19444 3142 1 13 . 1 1 72 72 LEU N N 72 119.969 119.969 121.876 -1.907 19444 3143 1 13 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.727 0.133 19444 3144 1 13 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.477 -0.401 19444 3145 1 13 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.729 -0.265 19444 3146 1 13 . 1 1 72 72 LEU H H 72 8.255 8.255 8.086 0.169 19444 3147 1 13 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.685 0.153 19444 3148 1 13 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.708 -1.198 19444 3149 1 13 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.219 -0.812 19444 3150 1 13 . 1 1 74 74 VAL N N 74 121.438 121.438 120.390 1.048 19444 3151 1 13 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.946 -0.457 19444 3152 1 13 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.089 1.564 19444 3153 1 13 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.145 -0.822 19444 3154 1 13 . 1 1 74 74 VAL H H 74 7.729 7.729 8.312 -0.583 19444 3155 1 13 . 1 1 75 75 THR N N 75 108.826 108.826 110.118 -1.292 19444 3156 1 13 . 1 1 75 75 THR HA H 75 5.015 5.015 4.597 0.418 19444 3157 1 13 . 1 1 75 75 THR CA C 75 59.822 59.822 59.283 0.539 19444 3158 1 13 . 1 1 75 75 THR CB C 75 74.087 74.087 71.868 2.220 19444 3159 1 13 . 1 1 75 75 THR H H 75 8.763 8.763 8.230 0.533 19444 3160 1 13 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.779 0.151 19444 3161 1 13 . 1 1 77 77 SER N N 77 114.493 114.493 114.793 -0.300 19444 3162 1 13 . 1 1 77 77 SER HA H 77 4.133 4.133 4.081 0.052 19444 3163 1 13 . 1 1 77 77 SER CA C 77 60.600 60.600 62.103 -1.504 19444 3164 1 13 . 1 1 77 77 SER CB C 77 62.378 62.378 62.752 -0.374 19444 3165 1 13 . 1 1 77 77 SER H H 77 8.231 8.231 8.304 -0.073 19444 3166 1 13 . 1 1 78 78 ASP N N 78 120.698 120.698 122.401 -1.703 19444 3167 1 13 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.304 0.104 19444 3168 1 13 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.405 0.674 19444 3169 1 13 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.385 2.949 19444 3170 1 13 . 1 1 78 78 ASP H H 78 7.388 7.388 8.023 -0.635 19444 3171 1 13 . 1 1 79 79 ALA N N 79 120.570 120.570 122.643 -2.073 19444 3172 1 13 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.869 -0.145 19444 3173 1 13 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.102 -0.201 19444 3174 1 13 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.219 1.527 19444 3175 1 13 . 1 1 79 79 ALA H H 79 7.873 7.873 8.253 -0.380 19444 3176 1 13 . 1 1 80 80 ARG N N 80 116.347 116.347 119.192 -2.845 19444 3177 1 13 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.025 -0.217 19444 3178 1 13 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.495 2.072 19444 3179 1 13 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.332 0.099 19444 3180 1 13 . 1 1 80 80 ARG H H 80 8.117 8.117 8.161 -0.044 19444 3181 1 13 . 1 1 81 81 VAL N N 81 119.158 119.158 120.239 -1.081 19444 3182 1 13 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.901 -0.233 19444 3183 1 13 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.691 0.222 19444 3184 1 13 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.747 0.025 19444 3185 1 13 . 1 1 81 81 VAL H H 81 7.373 7.373 8.420 -1.047 19444 3186 1 13 . 1 1 82 82 LEU N N 82 118.515 118.515 121.447 -2.932 19444 3187 1 13 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.882 0.230 19444 3188 1 13 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.639 -0.384 19444 3189 1 13 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.610 -0.106 19444 3190 1 13 . 1 1 82 82 LEU H H 82 7.589 7.589 8.277 -0.688 19444 3191 1 13 . 1 1 83 83 ILE N N 83 121.181 121.181 119.499 1.682 19444 3192 1 13 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.688 0.086 19444 3193 1 13 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.756 0.075 19444 3194 1 13 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.993 0.595 19444 3195 1 13 . 1 1 83 83 ILE H H 83 8.755 8.755 8.244 0.511 19444 3196 1 13 . 1 1 84 84 PHE N N 84 123.192 123.192 120.503 2.689 19444 3197 1 13 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.164 -0.002 19444 3198 1 13 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.157 0.499 19444 3199 1 13 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.185 -0.122 19444 3200 1 13 . 1 1 84 84 PHE H H 84 8.683 8.683 8.803 -0.120 19444 3201 1 13 . 1 1 85 85 ASN N N 85 118.056 118.056 117.330 0.726 19444 3202 1 13 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.253 0.212 19444 3203 1 13 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.728 -0.581 19444 3204 1 13 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.478 -0.575 19444 3205 1 13 . 1 1 85 85 ASN H H 85 8.892 8.892 8.574 0.318 19444 3206 1 13 . 1 1 86 86 ASP N N 86 120.374 120.374 121.205 -0.831 19444 3207 1 13 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.352 0.100 19444 3208 1 13 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.061 -0.764 19444 3209 1 13 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.027 1.240 19444 3210 1 13 . 1 1 86 86 ASP H H 86 8.146 8.146 8.293 -0.147 19444 3211 1 13 . 1 1 87 87 TRP N N 87 121.401 121.401 121.733 -0.332 19444 3212 1 13 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.131 -0.174 19444 3213 1 13 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.467 0.320 19444 3214 1 13 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.535 -1.589 19444 3215 1 13 . 1 1 87 87 TRP H H 87 8.121 8.121 8.426 -0.305 19444 3216 1 13 . 1 1 88 88 GLU N N 88 117.779 117.779 118.440 -0.661 19444 3217 1 13 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.087 -0.141 19444 3218 1 13 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.430 0.240 19444 3219 1 13 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.759 0.780 19444 3220 1 13 . 1 1 88 88 GLU H H 88 8.613 8.613 8.359 0.254 19444 3221 1 13 . 1 1 89 89 GLU N N 89 116.209 116.209 119.671 -3.462 19444 3222 1 13 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.871 0.130 19444 3223 1 13 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.448 -0.958 19444 3224 1 13 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.527 0.361 19444 3225 1 13 . 1 1 89 89 GLU H H 89 7.456 7.456 7.899 -0.443 19444 3226 1 13 . 1 1 90 90 ARG N N 90 119.957 119.957 117.696 2.261 19444 3227 1 13 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.009 -0.056 19444 3228 1 13 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.660 -0.083 19444 3229 1 13 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.993 1.738 19444 3230 1 13 . 1 1 90 90 ARG H H 90 8.134 8.134 8.315 -0.181 19444 3231 1 13 . 1 1 91 91 LYS N N 91 118.871 118.871 120.413 -1.542 19444 3232 1 13 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.088 -0.416 19444 3233 1 13 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.159 -0.449 19444 3234 1 13 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.614 -1.109 19444 3235 1 13 . 1 1 91 91 LYS H H 91 8.325 8.325 8.086 0.239 19444 3236 1 13 . 1 1 92 92 ARG N N 92 117.453 117.453 119.168 -1.715 19444 3237 1 13 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.955 -0.080 19444 3238 1 13 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.827 0.054 19444 3239 1 13 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.221 -0.436 19444 3240 1 13 . 1 1 92 92 ARG H H 92 7.069 7.069 7.810 -0.741 19444 3241 1 13 . 1 1 93 93 SER N N 93 110.842 110.842 112.357 -1.515 19444 3242 1 13 . 1 1 93 93 SER HA H 93 4.513 4.513 4.309 0.204 19444 3243 1 13 . 1 1 93 93 SER CA C 93 58.762 58.762 59.327 -0.565 19444 3244 1 13 . 1 1 93 93 SER CB C 93 64.164 64.164 64.274 -0.110 19444 3245 1 13 . 1 1 93 93 SER H H 93 7.427 7.427 7.751 -0.324 19444 3246 1 13 . 1 1 94 94 GLU N N 94 121.732 121.732 121.270 0.462 19444 3247 1 13 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.120 -0.443 19444 3248 1 13 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.423 0.463 19444 3249 1 13 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.269 -0.215 19444 3250 1 13 . 1 1 94 94 GLU H H 94 7.629 7.629 7.822 -0.193 19444 3251 1 13 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.413 -0.105 19444 3252 1 13 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.611 1.020 19444 3253 1 13 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.003 -0.519 19444 3254 1 13 . 1 1 96 96 TRP N N 96 115.321 115.321 116.287 -0.966 19444 3255 1 13 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.735 -0.080 19444 3256 1 13 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.218 1.548 19444 3257 1 13 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.615 -0.599 19444 3258 1 13 . 1 1 96 96 TRP H H 96 6.840 6.840 6.758 0.082 19444 3259 1 13 . 1 1 97 97 LEU N N 97 125.159 125.159 123.753 1.406 19444 3260 1 13 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.417 -0.240 19444 3261 1 13 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.799 1.300 19444 3262 1 13 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.262 0.966 19444 3263 1 13 . 1 1 97 97 LEU H H 97 7.287 7.287 7.159 0.128 19444 3264 1 13 . 1 1 98 98 ARG N N 98 128.515 128.515 127.952 0.563 19444 3265 1 13 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.567 0.021 19444 3266 1 13 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.071 -0.981 19444 3267 1 13 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.564 -0.227 19444 3268 1 13 . 1 1 98 98 ARG H H 98 8.898 8.898 8.633 0.265 19444 3269 1 13 . 1 1 99 99 LEU N N 99 127.834 127.834 126.428 1.406 19444 3270 1 13 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.311 -0.715 19444 3271 1 13 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.263 0.315 19444 3272 1 13 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.370 -2.196 19444 3273 1 13 . 1 1 99 99 LEU H H 99 8.362 8.362 8.467 -0.105 19444 3274 1 13 . 1 1 100 100 ASP N N 100 127.038 127.038 126.502 0.536 19444 3275 1 13 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.278 -0.566 19444 3276 1 13 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.916 -0.902 19444 3277 1 13 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.158 -1.760 19444 3278 1 13 . 1 1 100 100 ASP H H 100 7.998 7.998 8.480 -0.482 19444 3279 1 13 . 1 1 101 101 MET N N 101 122.551 122.551 120.521 2.030 19444 3280 1 13 . 1 1 101 101 MET HA H 101 4.533 4.533 4.767 -0.234 19444 3281 1 13 . 1 1 101 101 MET CA C 101 53.583 53.583 54.971 -1.388 19444 3282 1 13 . 1 1 101 101 MET CB C 101 33.400 33.400 33.212 0.188 19444 3283 1 13 . 1 1 101 101 MET H H 101 8.761 8.761 8.420 0.341 19444 3284 1 13 . 1 1 102 102 SER N N 102 116.261 116.261 117.559 -1.298 19444 3285 1 13 . 1 1 102 102 SER HA H 102 4.191 4.191 4.455 -0.264 19444 3286 1 13 . 1 1 102 102 SER CA C 102 58.655 58.655 58.237 0.418 19444 3287 1 13 . 1 1 102 102 SER CB C 102 64.764 64.764 65.063 -0.299 19444 3288 1 13 . 1 1 102 102 SER H H 102 8.212 8.212 8.299 -0.087 19444 3289 1 13 . 1 1 103 103 ASP N N 103 121.700 121.700 123.112 -1.412 19444 3290 1 13 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.040 -0.227 19444 3291 1 13 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.764 -0.296 19444 3292 1 13 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.173 -1.389 19444 3293 1 13 . 1 1 103 103 ASP H H 103 8.791 8.791 8.925 -0.134 19444 3294 1 13 . 1 1 104 104 LYS N N 104 116.308 116.308 119.569 -3.261 19444 3295 1 13 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.166 -0.385 19444 3296 1 13 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.811 1.028 19444 3297 1 13 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.861 0.311 19444 3298 1 13 . 1 1 104 104 LYS H H 104 7.886 7.886 8.134 -0.248 19444 3299 1 13 . 1 1 105 105 ALA N N 105 122.364 122.364 122.404 -0.040 19444 3300 1 13 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.038 -0.078 19444 3301 1 13 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.174 -0.136 19444 3302 1 13 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.298 -0.357 19444 3303 1 13 . 1 1 105 105 ALA H H 105 7.343 7.343 7.940 -0.597 19444 3304 1 13 . 1 1 106 106 ILE N N 106 119.713 119.713 119.451 0.262 19444 3305 1 13 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.637 -0.159 19444 3306 1 13 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.626 0.572 19444 3307 1 13 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.697 -0.174 19444 3308 1 13 . 1 1 106 106 ILE H H 106 8.124 8.124 8.117 0.007 19444 3309 1 13 . 1 1 107 107 PHE N N 107 117.557 117.557 118.876 -1.319 19444 3310 1 13 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.593 -0.147 19444 3311 1 13 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.112 -2.185 19444 3312 1 13 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.913 -0.649 19444 3313 1 13 . 1 1 107 107 PHE H H 107 8.448 8.448 8.208 0.240 19444 3314 1 13 . 1 1 108 108 ARG N N 108 117.407 117.407 118.453 -1.046 19444 3315 1 13 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.211 -0.128 19444 3316 1 13 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.248 0.381 19444 3317 1 13 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.951 0.509 19444 3318 1 13 . 1 1 108 108 ARG H H 108 7.568 7.568 8.427 -0.859 19444 3319 1 13 . 1 1 109 109 ARG N N 109 117.561 117.561 118.178 -0.617 19444 3320 1 13 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.147 -0.149 19444 3321 1 13 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.311 -0.756 19444 3322 1 13 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.570 0.017 19444 3323 1 13 . 1 1 109 109 ARG H H 109 7.281 7.281 7.899 -0.618 19444 3324 1 13 . 1 1 110 110 TYR N N 110 116.115 116.115 117.676 -1.561 19444 3325 1 13 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.106 0.222 19444 3326 1 13 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.065 -0.563 19444 3327 1 13 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.496 -1.008 19444 3328 1 13 . 1 1 110 110 TYR H H 110 8.877 8.877 8.295 0.582 19444 3329 1 13 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.621 -0.142 19444 3330 1 13 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.383 0.410 19444 3331 1 13 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.202 -0.531 19444 3332 1 13 . 1 1 112 112 HIS N N 112 116.277 116.277 116.725 -0.448 19444 3333 1 13 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.503 -0.071 19444 3334 1 13 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.538 0.935 19444 3335 1 13 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.998 0.823 19444 3336 1 13 . 1 1 112 112 HIS H H 112 8.300 8.300 8.497 -0.197 19444 3337 1 13 . 1 1 113 113 LEU N N 113 120.770 120.770 119.794 0.976 19444 3338 1 13 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.146 -0.045 19444 3339 1 13 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.281 -1.078 19444 3340 1 13 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.528 1.349 19444 3341 1 13 . 1 1 113 113 LEU H H 113 7.518 7.518 7.156 0.362 19444 3342 1 14 . 1 1 59 59 ALA N N 59 123.352 123.352 122.291 1.061 19444 3343 1 14 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.720 -0.436 19444 3344 1 14 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.764 0.532 19444 3345 1 14 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.358 -0.725 19444 3346 1 14 . 1 1 59 59 ALA H H 59 7.997 7.997 7.907 0.090 19444 3347 1 14 . 1 1 60 60 LEU N N 60 120.985 120.985 121.345 -0.360 19444 3348 1 14 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.473 -0.020 19444 3349 1 14 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.537 -0.250 19444 3350 1 14 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.245 0.011 19444 3351 1 14 . 1 1 60 60 LEU H H 60 8.169 8.169 8.334 -0.165 19444 3352 1 14 . 1 1 61 61 ALA N N 61 125.303 125.303 124.487 0.816 19444 3353 1 14 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.512 -0.015 19444 3354 1 14 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.981 0.246 19444 3355 1 14 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.127 0.049 19444 3356 1 14 . 1 1 61 61 ALA H H 61 8.445 8.445 8.164 0.281 19444 3357 1 14 . 1 1 62 62 ALA N N 62 127.804 127.804 126.707 1.097 19444 3358 1 14 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.668 -0.352 19444 3359 1 14 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.133 0.876 19444 3360 1 14 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.918 -0.933 19444 3361 1 14 . 1 1 62 62 ALA H H 62 8.583 8.583 9.028 -0.445 19444 3362 1 14 . 1 1 63 63 LEU N N 63 120.096 120.096 121.883 -1.787 19444 3363 1 14 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.005 -0.121 19444 3364 1 14 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.833 -0.941 19444 3365 1 14 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.322 -1.190 19444 3366 1 14 . 1 1 63 63 LEU H H 63 8.077 8.077 8.320 -0.243 19444 3367 1 14 . 1 1 64 64 HIS N N 64 122.245 122.245 118.876 3.369 19444 3368 1 14 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.579 -0.339 19444 3369 1 14 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.135 0.892 19444 3370 1 14 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.482 -0.144 19444 3371 1 14 . 1 1 64 64 HIS H H 64 8.629 8.629 8.715 -0.086 19444 3372 1 14 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.361 -0.011 19444 3373 1 14 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.810 0.539 19444 3374 1 14 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.769 -0.051 19444 3375 1 14 . 1 1 66 66 ASP N N 66 115.211 115.211 115.887 -0.676 19444 3376 1 14 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.775 -0.086 19444 3377 1 14 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.472 -0.950 19444 3378 1 14 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.162 -1.411 19444 3379 1 14 . 1 1 66 66 ASP H H 66 7.869 7.869 7.885 -0.016 19444 3380 1 14 . 1 1 67 67 GLY N N 67 105.349 105.349 108.907 -3.558 19444 3381 1 14 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.045 0.221 19444 3382 1 14 . 1 1 67 67 GLY H H 67 8.441 8.441 8.395 0.046 19444 3383 1 14 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444 3384 1 14 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.992 -0.788 19444 3385 1 14 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.607 -0.086 19444 3386 1 14 . 1 1 69 69 HIS N N 69 116.893 116.893 115.369 1.524 19444 3387 1 14 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.720 -0.035 19444 3388 1 14 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.657 0.329 19444 3389 1 14 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.333 0.144 19444 3390 1 14 . 1 1 69 69 HIS H H 69 8.503 8.503 8.105 0.398 19444 3391 1 14 . 1 1 70 70 ALA N N 70 120.705 120.705 121.984 -1.279 19444 3392 1 14 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.103 -0.536 19444 3393 1 14 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.687 0.092 19444 3394 1 14 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.097 19444 3395 1 14 . 1 1 70 70 ALA H H 70 6.892 6.892 7.488 -0.596 19444 3396 1 14 . 1 1 71 71 GLY N N 71 109.407 109.407 112.539 -3.132 19444 3397 1 14 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.006 0.340 19444 3398 1 14 . 1 1 71 71 GLY H H 71 9.144 9.144 8.971 0.173 19444 3399 1 14 . 1 1 72 72 LEU N N 72 119.969 119.969 122.824 -2.855 19444 3400 1 14 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.668 0.192 19444 3401 1 14 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.133 -0.057 19444 3402 1 14 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.590 -0.126 19444 3403 1 14 . 1 1 72 72 LEU H H 72 8.255 8.255 8.119 0.136 19444 3404 1 14 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.638 0.200 19444 3405 1 14 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.778 -1.268 19444 3406 1 14 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.152 -0.745 19444 3407 1 14 . 1 1 74 74 VAL N N 74 121.438 121.438 120.816 0.622 19444 3408 1 14 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.869 -0.380 19444 3409 1 14 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.128 1.525 19444 3410 1 14 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.114 -0.791 19444 3411 1 14 . 1 1 74 74 VAL H H 74 7.729 7.729 8.348 -0.619 19444 3412 1 14 . 1 1 75 75 THR N N 75 108.826 108.826 110.645 -1.819 19444 3413 1 14 . 1 1 75 75 THR HA H 75 5.015 5.015 4.560 0.455 19444 3414 1 14 . 1 1 75 75 THR CA C 75 59.822 59.822 59.425 0.397 19444 3415 1 14 . 1 1 75 75 THR CB C 75 74.087 74.087 71.764 2.323 19444 3416 1 14 . 1 1 75 75 THR H H 75 8.763 8.763 8.294 0.469 19444 3417 1 14 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.823 0.107 19444 3418 1 14 . 1 1 77 77 SER N N 77 114.493 114.493 115.371 -0.878 19444 3419 1 14 . 1 1 77 77 SER HA H 77 4.133 4.133 4.097 0.036 19444 3420 1 14 . 1 1 77 77 SER CA C 77 60.600 60.600 62.218 -1.618 19444 3421 1 14 . 1 1 77 77 SER CB C 77 62.378 62.378 62.789 -0.412 19444 3422 1 14 . 1 1 77 77 SER H H 77 8.231 8.231 8.310 -0.079 19444 3423 1 14 . 1 1 78 78 ASP N N 78 120.698 120.698 122.174 -1.476 19444 3424 1 14 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.303 0.105 19444 3425 1 14 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.395 0.683 19444 3426 1 14 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.374 2.960 19444 3427 1 14 . 1 1 78 78 ASP H H 78 7.388 7.388 8.038 -0.650 19444 3428 1 14 . 1 1 79 79 ALA N N 79 120.570 120.570 122.689 -2.119 19444 3429 1 14 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.862 -0.139 19444 3430 1 14 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.122 -0.221 19444 3431 1 14 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.220 1.526 19444 3432 1 14 . 1 1 79 79 ALA H H 79 7.873 7.873 8.221 -0.348 19444 3433 1 14 . 1 1 80 80 ARG N N 80 116.347 116.347 119.191 -2.844 19444 3434 1 14 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.038 -0.230 19444 3435 1 14 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.420 2.147 19444 3436 1 14 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.367 0.064 19444 3437 1 14 . 1 1 80 80 ARG H H 80 8.117 8.117 7.989 0.128 19444 3438 1 14 . 1 1 81 81 VAL N N 81 119.158 119.158 120.224 -1.066 19444 3439 1 14 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.844 -0.176 19444 3440 1 14 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.990 -0.077 19444 3441 1 14 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.699 0.073 19444 3442 1 14 . 1 1 81 81 VAL H H 81 7.373 7.373 8.401 -1.028 19444 3443 1 14 . 1 1 82 82 LEU N N 82 118.515 118.515 121.332 -2.817 19444 3444 1 14 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.924 0.188 19444 3445 1 14 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.693 -0.438 19444 3446 1 14 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.827 -0.323 19444 3447 1 14 . 1 1 82 82 LEU H H 82 7.589 7.589 8.268 -0.679 19444 3448 1 14 . 1 1 83 83 ILE N N 83 121.181 121.181 119.379 1.802 19444 3449 1 14 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.670 0.104 19444 3450 1 14 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.883 -0.052 19444 3451 1 14 . 1 1 83 83 ILE CB C 83 38.588 38.588 38.030 0.558 19444 3452 1 14 . 1 1 83 83 ILE H H 83 8.755 8.755 8.228 0.527 19444 3453 1 14 . 1 1 84 84 PHE N N 84 123.192 123.192 120.165 3.027 19444 3454 1 14 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.149 0.013 19444 3455 1 14 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.382 0.274 19444 3456 1 14 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.172 -0.108 19444 3457 1 14 . 1 1 84 84 PHE H H 84 8.683 8.683 8.632 0.051 19444 3458 1 14 . 1 1 85 85 ASN N N 85 118.056 118.056 117.506 0.550 19444 3459 1 14 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.274 0.191 19444 3460 1 14 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.856 -0.709 19444 3461 1 14 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.458 -0.555 19444 3462 1 14 . 1 1 85 85 ASN H H 85 8.892 8.892 8.683 0.209 19444 3463 1 14 . 1 1 86 86 ASP N N 86 120.374 120.374 121.040 -0.666 19444 3464 1 14 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.401 0.051 19444 3465 1 14 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.031 -0.733 19444 3466 1 14 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.931 1.336 19444 3467 1 14 . 1 1 86 86 ASP H H 86 8.146 8.146 8.309 -0.163 19444 3468 1 14 . 1 1 87 87 TRP N N 87 121.401 121.401 121.800 -0.399 19444 3469 1 14 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.138 -0.181 19444 3470 1 14 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.770 0.017 19444 3471 1 14 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.584 -1.638 19444 3472 1 14 . 1 1 87 87 TRP H H 87 8.121 8.121 8.558 -0.437 19444 3473 1 14 . 1 1 88 88 GLU N N 88 117.779 117.779 118.384 -0.605 19444 3474 1 14 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.120 -0.174 19444 3475 1 14 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.291 0.379 19444 3476 1 14 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.128 0.412 19444 3477 1 14 . 1 1 88 88 GLU H H 88 8.613 8.613 8.412 0.201 19444 3478 1 14 . 1 1 89 89 GLU N N 89 116.209 116.209 120.214 -4.005 19444 3479 1 14 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.913 0.088 19444 3480 1 14 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.502 -1.012 19444 3481 1 14 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.550 0.338 19444 3482 1 14 . 1 1 89 89 GLU H H 89 7.456 7.456 8.040 -0.584 19444 3483 1 14 . 1 1 90 90 ARG N N 90 119.957 119.957 117.774 2.183 19444 3484 1 14 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.974 -0.021 19444 3485 1 14 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.824 -0.247 19444 3486 1 14 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.188 1.543 19444 3487 1 14 . 1 1 90 90 ARG H H 90 8.134 8.134 8.160 -0.026 19444 3488 1 14 . 1 1 91 91 LYS N N 91 118.871 118.871 120.747 -1.876 19444 3489 1 14 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.019 -0.347 19444 3490 1 14 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.694 -0.984 19444 3491 1 14 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.668 -1.163 19444 3492 1 14 . 1 1 91 91 LYS H H 91 8.325 8.325 8.040 0.285 19444 3493 1 14 . 1 1 92 92 ARG N N 92 117.453 117.453 118.710 -1.257 19444 3494 1 14 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.920 -0.045 19444 3495 1 14 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.504 0.377 19444 3496 1 14 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.092 -0.307 19444 3497 1 14 . 1 1 92 92 ARG H H 92 7.069 7.069 7.772 -0.703 19444 3498 1 14 . 1 1 93 93 SER N N 93 110.842 110.842 113.803 -2.961 19444 3499 1 14 . 1 1 93 93 SER HA H 93 4.513 4.513 4.215 0.298 19444 3500 1 14 . 1 1 93 93 SER CA C 93 58.762 58.762 60.470 -1.708 19444 3501 1 14 . 1 1 93 93 SER CB C 93 64.164 64.164 63.913 0.251 19444 3502 1 14 . 1 1 93 93 SER H H 93 7.427 7.427 7.608 -0.181 19444 3503 1 14 . 1 1 94 94 GLU N N 94 121.732 121.732 118.584 3.148 19444 3504 1 14 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.052 -0.375 19444 3505 1 14 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.879 0.007 19444 3506 1 14 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.509 -0.455 19444 3507 1 14 . 1 1 94 94 GLU H H 94 7.629 7.629 7.761 -0.132 19444 3508 1 14 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.363 -0.055 19444 3509 1 14 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.230 0.401 19444 3510 1 14 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.841 -0.357 19444 3511 1 14 . 1 1 96 96 TRP N N 96 115.321 115.321 116.972 -1.651 19444 3512 1 14 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.819 -0.164 19444 3513 1 14 . 1 1 96 96 TRP CA C 96 56.766 56.766 53.431 3.335 19444 3514 1 14 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.335 -0.319 19444 3515 1 14 . 1 1 96 96 TRP H H 96 6.840 6.840 6.836 0.004 19444 3516 1 14 . 1 1 97 97 LEU N N 97 125.159 125.159 124.592 0.567 19444 3517 1 14 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.465 -0.288 19444 3518 1 14 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.044 2.055 19444 3519 1 14 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.506 0.722 19444 3520 1 14 . 1 1 97 97 LEU H H 97 7.287 7.287 7.429 -0.142 19444 3521 1 14 . 1 1 98 98 ARG N N 98 128.515 128.515 126.894 1.621 19444 3522 1 14 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.575 0.013 19444 3523 1 14 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.141 -0.050 19444 3524 1 14 . 1 1 98 98 ARG CB C 98 31.336 31.336 30.768 0.568 19444 3525 1 14 . 1 1 98 98 ARG H H 98 8.898 8.898 8.674 0.224 19444 3526 1 14 . 1 1 99 99 LEU N N 99 127.834 127.834 123.291 4.543 19444 3527 1 14 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.382 -0.786 19444 3528 1 14 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.705 0.873 19444 3529 1 14 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.258 -4.084 19444 3530 1 14 . 1 1 99 99 LEU H H 99 8.362 8.362 8.171 0.191 19444 3531 1 14 . 1 1 100 100 ASP N N 100 127.038 127.038 127.050 -0.012 19444 3532 1 14 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.957 -0.245 19444 3533 1 14 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.222 -1.208 19444 3534 1 14 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.879 -1.481 19444 3535 1 14 . 1 1 100 100 ASP H H 100 7.998 7.998 8.537 -0.539 19444 3536 1 14 . 1 1 101 101 MET N N 101 122.551 122.551 119.239 3.312 19444 3537 1 14 . 1 1 101 101 MET HA H 101 4.533 4.533 4.670 -0.137 19444 3538 1 14 . 1 1 101 101 MET CA C 101 53.583 53.583 55.058 -1.475 19444 3539 1 14 . 1 1 101 101 MET CB C 101 33.400 33.400 33.870 -0.470 19444 3540 1 14 . 1 1 101 101 MET H H 101 8.761 8.761 8.052 0.709 19444 3541 1 14 . 1 1 102 102 SER N N 102 116.261 116.261 118.155 -1.894 19444 3542 1 14 . 1 1 102 102 SER HA H 102 4.191 4.191 4.389 -0.198 19444 3543 1 14 . 1 1 102 102 SER CA C 102 58.655 58.655 57.878 0.777 19444 3544 1 14 . 1 1 102 102 SER CB C 102 64.764 64.764 64.215 0.549 19444 3545 1 14 . 1 1 102 102 SER H H 102 8.212 8.212 7.929 0.283 19444 3546 1 14 . 1 1 103 103 ASP N N 103 121.700 121.700 122.490 -0.790 19444 3547 1 14 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.082 -0.269 19444 3548 1 14 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.651 -0.183 19444 3549 1 14 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.340 -1.556 19444 3550 1 14 . 1 1 103 103 ASP H H 103 8.791 8.791 8.861 -0.070 19444 3551 1 14 . 1 1 104 104 LYS N N 104 116.308 116.308 119.285 -2.977 19444 3552 1 14 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.349 -0.568 19444 3553 1 14 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.439 1.400 19444 3554 1 14 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.029 0.143 19444 3555 1 14 . 1 1 104 104 LYS H H 104 7.886 7.886 8.453 -0.567 19444 3556 1 14 . 1 1 105 105 ALA N N 105 122.364 122.364 122.753 -0.389 19444 3557 1 14 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.158 -0.198 19444 3558 1 14 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.953 0.085 19444 3559 1 14 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.065 -0.124 19444 3560 1 14 . 1 1 105 105 ALA H H 105 7.343 7.343 7.537 -0.194 19444 3561 1 14 . 1 1 106 106 ILE N N 106 119.713 119.713 119.465 0.248 19444 3562 1 14 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.605 -0.127 19444 3563 1 14 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.674 0.523 19444 3564 1 14 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.660 -0.137 19444 3565 1 14 . 1 1 106 106 ILE H H 106 8.124 8.124 8.096 0.028 19444 3566 1 14 . 1 1 107 107 PHE N N 107 117.557 117.557 118.707 -1.150 19444 3567 1 14 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.565 -0.119 19444 3568 1 14 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.893 -2.966 19444 3569 1 14 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.042 -0.778 19444 3570 1 14 . 1 1 107 107 PHE H H 107 8.448 8.448 8.074 0.374 19444 3571 1 14 . 1 1 108 108 ARG N N 108 117.407 117.407 118.509 -1.102 19444 3572 1 14 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.162 -0.079 19444 3573 1 14 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.782 -0.153 19444 3574 1 14 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.291 0.168 19444 3575 1 14 . 1 1 108 108 ARG H H 108 7.568 7.568 8.173 -0.605 19444 3576 1 14 . 1 1 109 109 ARG N N 109 117.561 117.561 118.598 -1.037 19444 3577 1 14 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.148 -0.150 19444 3578 1 14 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.762 -0.207 19444 3579 1 14 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.349 0.238 19444 3580 1 14 . 1 1 109 109 ARG H H 109 7.281 7.281 7.881 -0.600 19444 3581 1 14 . 1 1 110 110 TYR N N 110 116.115 116.115 118.062 -1.947 19444 3582 1 14 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.117 0.211 19444 3583 1 14 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.140 -0.638 19444 3584 1 14 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.163 -0.674 19444 3585 1 14 . 1 1 110 110 TYR H H 110 8.877 8.877 8.309 0.568 19444 3586 1 14 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.637 -0.158 19444 3587 1 14 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.355 0.438 19444 3588 1 14 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.179 -0.508 19444 3589 1 14 . 1 1 112 112 HIS N N 112 116.277 116.277 116.819 -0.542 19444 3590 1 14 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.506 -0.074 19444 3591 1 14 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.565 0.909 19444 3592 1 14 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.989 0.832 19444 3593 1 14 . 1 1 112 112 HIS H H 112 8.300 8.300 8.501 -0.201 19444 3594 1 14 . 1 1 113 113 LEU N N 113 120.770 120.770 119.595 1.175 19444 3595 1 14 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.233 -0.132 19444 3596 1 14 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.104 -0.901 19444 3597 1 14 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.362 1.515 19444 3598 1 14 . 1 1 113 113 LEU H H 113 7.518 7.518 7.198 0.320 19444 3599 1 15 . 1 1 59 59 ALA N N 59 123.352 123.352 123.300 0.052 19444 3600 1 15 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.498 -0.214 19444 3601 1 15 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.614 0.682 19444 3602 1 15 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.632 -0.999 19444 3603 1 15 . 1 1 59 59 ALA H H 59 7.997 7.997 8.165 -0.168 19444 3604 1 15 . 1 1 60 60 LEU N N 60 120.985 120.985 121.082 -0.097 19444 3605 1 15 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.444 0.009 19444 3606 1 15 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.751 -0.464 19444 3607 1 15 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.651 0.604 19444 3608 1 15 . 1 1 60 60 LEU H H 60 8.169 8.169 8.346 -0.177 19444 3609 1 15 . 1 1 61 61 ALA N N 61 125.303 125.303 124.054 1.249 19444 3610 1 15 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.629 -0.132 19444 3611 1 15 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.925 0.302 19444 3612 1 15 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.675 -1.499 19444 3613 1 15 . 1 1 61 61 ALA H H 61 8.445 8.445 8.092 0.353 19444 3614 1 15 . 1 1 62 62 ALA N N 62 127.804 127.804 126.125 1.679 19444 3615 1 15 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.672 -0.356 19444 3616 1 15 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.132 0.877 19444 3617 1 15 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.913 -0.928 19444 3618 1 15 . 1 1 62 62 ALA H H 62 8.583 8.583 9.061 -0.478 19444 3619 1 15 . 1 1 63 63 LEU N N 63 120.096 120.096 121.289 -1.193 19444 3620 1 15 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.992 -0.108 19444 3621 1 15 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.808 -0.916 19444 3622 1 15 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.398 -1.266 19444 3623 1 15 . 1 1 63 63 LEU H H 63 8.077 8.077 8.251 -0.174 19444 3624 1 15 . 1 1 64 64 HIS N N 64 122.245 122.245 118.858 3.387 19444 3625 1 15 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.592 -0.352 19444 3626 1 15 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.018 1.008 19444 3627 1 15 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.351 -0.013 19444 3628 1 15 . 1 1 64 64 HIS H H 64 8.629 8.629 8.655 -0.026 19444 3629 1 15 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.285 0.065 19444 3630 1 15 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.219 0.129 19444 3631 1 15 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.672 0.046 19444 3632 1 15 . 1 1 66 66 ASP N N 66 115.211 115.211 114.932 0.279 19444 3633 1 15 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.730 -0.041 19444 3634 1 15 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.253 -0.731 19444 3635 1 15 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.799 -0.048 19444 3636 1 15 . 1 1 66 66 ASP H H 66 7.869 7.869 7.790 0.079 19444 3637 1 15 . 1 1 67 67 GLY N N 67 105.349 105.349 109.779 -4.430 19444 3638 1 15 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.059 0.207 19444 3639 1 15 . 1 1 67 67 GLY H H 67 8.441 8.441 8.378 0.063 19444 3640 1 15 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.256 -0.137 19444 3641 1 15 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.005 -0.801 19444 3642 1 15 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.618 -0.097 19444 3643 1 15 . 1 1 69 69 HIS N N 69 116.893 116.893 115.417 1.476 19444 3644 1 15 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444 3645 1 15 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.602 0.384 19444 3646 1 15 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.268 0.209 19444 3647 1 15 . 1 1 69 69 HIS H H 69 8.503 8.503 8.155 0.348 19444 3648 1 15 . 1 1 70 70 ALA N N 70 120.705 120.705 122.010 -1.305 19444 3649 1 15 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.113 -0.546 19444 3650 1 15 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.677 0.102 19444 3651 1 15 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.279 -0.079 19444 3652 1 15 . 1 1 70 70 ALA H H 70 6.892 6.892 7.482 -0.590 19444 3653 1 15 . 1 1 71 71 GLY N N 71 109.407 109.407 112.508 -3.101 19444 3654 1 15 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.008 0.339 19444 3655 1 15 . 1 1 71 71 GLY H H 71 9.144 9.144 8.969 0.175 19444 3656 1 15 . 1 1 72 72 LEU N N 72 119.969 119.969 122.676 -2.707 19444 3657 1 15 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.687 0.173 19444 3658 1 15 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.008 0.068 19444 3659 1 15 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.648 -0.184 19444 3660 1 15 . 1 1 72 72 LEU H H 72 8.255 8.255 8.213 0.042 19444 3661 1 15 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.697 0.141 19444 3662 1 15 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.747 -1.237 19444 3663 1 15 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.219 -0.812 19444 3664 1 15 . 1 1 74 74 VAL N N 74 121.438 121.438 119.814 1.624 19444 3665 1 15 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.965 -0.476 19444 3666 1 15 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.285 1.368 19444 3667 1 15 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.282 -0.959 19444 3668 1 15 . 1 1 74 74 VAL H H 74 7.729 7.729 8.240 -0.511 19444 3669 1 15 . 1 1 75 75 THR N N 75 108.826 108.826 109.688 -0.862 19444 3670 1 15 . 1 1 75 75 THR HA H 75 5.015 5.015 4.633 0.382 19444 3671 1 15 . 1 1 75 75 THR CA C 75 59.822 59.822 59.129 0.693 19444 3672 1 15 . 1 1 75 75 THR CB C 75 74.087 74.087 71.885 2.201 19444 3673 1 15 . 1 1 75 75 THR H H 75 8.763 8.763 8.228 0.535 19444 3674 1 15 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.820 0.110 19444 3675 1 15 . 1 1 77 77 SER N N 77 114.493 114.493 115.509 -1.016 19444 3676 1 15 . 1 1 77 77 SER HA H 77 4.133 4.133 4.079 0.054 19444 3677 1 15 . 1 1 77 77 SER CA C 77 60.600 60.600 62.123 -1.523 19444 3678 1 15 . 1 1 77 77 SER CB C 77 62.378 62.378 62.751 -0.373 19444 3679 1 15 . 1 1 77 77 SER H H 77 8.231 8.231 8.407 -0.176 19444 3680 1 15 . 1 1 78 78 ASP N N 78 120.698 120.698 122.603 -1.905 19444 3681 1 15 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.312 0.096 19444 3682 1 15 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.380 0.699 19444 3683 1 15 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.367 2.967 19444 3684 1 15 . 1 1 78 78 ASP H H 78 7.388 7.388 7.985 -0.597 19444 3685 1 15 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444 3686 1 15 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.864 -0.140 19444 3687 1 15 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.121 -0.220 19444 3688 1 15 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.236 1.510 19444 3689 1 15 . 1 1 79 79 ALA H H 79 7.873 7.873 8.169 -0.296 19444 3690 1 15 . 1 1 80 80 ARG N N 80 116.347 116.347 119.101 -2.754 19444 3691 1 15 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.021 -0.213 19444 3692 1 15 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.483 2.084 19444 3693 1 15 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.365 0.066 19444 3694 1 15 . 1 1 80 80 ARG H H 80 8.117 8.117 8.195 -0.078 19444 3695 1 15 . 1 1 81 81 VAL N N 81 119.158 119.158 120.068 -0.910 19444 3696 1 15 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.837 -0.169 19444 3697 1 15 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.937 -0.024 19444 3698 1 15 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.698 0.074 19444 3699 1 15 . 1 1 81 81 VAL H H 81 7.373 7.373 8.255 -0.882 19444 3700 1 15 . 1 1 82 82 LEU N N 82 118.515 118.515 121.382 -2.867 19444 3701 1 15 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.872 0.240 19444 3702 1 15 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.591 -0.336 19444 3703 1 15 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.518 -0.014 19444 3704 1 15 . 1 1 82 82 LEU H H 82 7.589 7.589 8.346 -0.757 19444 3705 1 15 . 1 1 83 83 ILE N N 83 121.181 121.181 119.635 1.546 19444 3706 1 15 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.645 0.129 19444 3707 1 15 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.790 0.041 19444 3708 1 15 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.909 0.679 19444 3709 1 15 . 1 1 83 83 ILE H H 83 8.755 8.755 8.203 0.552 19444 3710 1 15 . 1 1 84 84 PHE N N 84 123.192 123.192 119.883 3.309 19444 3711 1 15 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.035 0.127 19444 3712 1 15 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.268 0.388 19444 3713 1 15 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.070 -0.006 19444 3714 1 15 . 1 1 84 84 PHE H H 84 8.683 8.683 8.645 0.038 19444 3715 1 15 . 1 1 85 85 ASN N N 85 118.056 118.056 117.496 0.560 19444 3716 1 15 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.306 0.159 19444 3717 1 15 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.292 -0.145 19444 3718 1 15 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.188 -0.285 19444 3719 1 15 . 1 1 85 85 ASN H H 85 8.892 8.892 8.632 0.260 19444 3720 1 15 . 1 1 86 86 ASP N N 86 120.374 120.374 121.211 -0.837 19444 3721 1 15 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.408 0.044 19444 3722 1 15 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.156 -0.859 19444 3723 1 15 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.864 1.403 19444 3724 1 15 . 1 1 86 86 ASP H H 86 8.146 8.146 8.305 -0.159 19444 3725 1 15 . 1 1 87 87 TRP N N 87 121.401 121.401 121.785 -0.384 19444 3726 1 15 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.107 -0.150 19444 3727 1 15 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.419 0.368 19444 3728 1 15 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.498 -1.552 19444 3729 1 15 . 1 1 87 87 TRP H H 87 8.121 8.121 8.478 -0.357 19444 3730 1 15 . 1 1 88 88 GLU N N 88 117.779 117.779 118.701 -0.922 19444 3731 1 15 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.166 -0.220 19444 3732 1 15 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.460 0.210 19444 3733 1 15 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.761 0.779 19444 3734 1 15 . 1 1 88 88 GLU H H 88 8.613 8.613 8.266 0.347 19444 3735 1 15 . 1 1 89 89 GLU N N 89 116.209 116.209 119.571 -3.362 19444 3736 1 15 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.927 0.074 19444 3737 1 15 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.295 -0.805 19444 3738 1 15 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.478 0.410 19444 3739 1 15 . 1 1 89 89 GLU H H 89 7.456 7.456 7.911 -0.455 19444 3740 1 15 . 1 1 90 90 ARG N N 90 119.957 119.957 118.193 1.764 19444 3741 1 15 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.004 -0.051 19444 3742 1 15 . 1 1 90 90 ARG CA C 90 58.577 58.577 57.494 1.083 19444 3743 1 15 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.725 2.006 19444 3744 1 15 . 1 1 90 90 ARG H H 90 8.134 8.134 8.231 -0.097 19444 3745 1 15 . 1 1 91 91 LYS N N 91 118.871 118.871 121.025 -2.154 19444 3746 1 15 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.034 -0.362 19444 3747 1 15 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.621 -0.911 19444 3748 1 15 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.650 -1.145 19444 3749 1 15 . 1 1 91 91 LYS H H 91 8.325 8.325 7.999 0.326 19444 3750 1 15 . 1 1 92 92 ARG N N 92 117.453 117.453 118.577 -1.124 19444 3751 1 15 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.974 -0.099 19444 3752 1 15 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.641 0.240 19444 3753 1 15 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.145 -0.360 19444 3754 1 15 . 1 1 92 92 ARG H H 92 7.069 7.069 7.841 -0.772 19444 3755 1 15 . 1 1 93 93 SER N N 93 110.842 110.842 113.727 -2.885 19444 3756 1 15 . 1 1 93 93 SER HA H 93 4.513 4.513 4.229 0.284 19444 3757 1 15 . 1 1 93 93 SER CA C 93 58.762 58.762 60.515 -1.753 19444 3758 1 15 . 1 1 93 93 SER CB C 93 64.164 64.164 63.923 0.241 19444 3759 1 15 . 1 1 93 93 SER H H 93 7.427 7.427 7.733 -0.306 19444 3760 1 15 . 1 1 94 94 GLU N N 94 121.732 121.732 118.738 2.994 19444 3761 1 15 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.034 -0.357 19444 3762 1 15 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.849 0.037 19444 3763 1 15 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.241 -0.186 19444 3764 1 15 . 1 1 94 94 GLU H H 94 7.629 7.629 7.766 -0.137 19444 3765 1 15 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.369 -0.061 19444 3766 1 15 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.590 1.042 19444 3767 1 15 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.127 -0.643 19444 3768 1 15 . 1 1 96 96 TRP N N 96 115.321 115.321 114.969 0.352 19444 3769 1 15 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.784 -0.129 19444 3770 1 15 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.964 1.802 19444 3771 1 15 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.980 -0.964 19444 3772 1 15 . 1 1 96 96 TRP H H 96 6.840 6.840 6.951 -0.111 19444 3773 1 15 . 1 1 97 97 LEU N N 97 125.159 125.159 124.009 1.150 19444 3774 1 15 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.436 -0.259 19444 3775 1 15 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.773 1.326 19444 3776 1 15 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.221 1.007 19444 3777 1 15 . 1 1 97 97 LEU H H 97 7.287 7.287 7.316 -0.029 19444 3778 1 15 . 1 1 98 98 ARG N N 98 128.515 128.515 127.463 1.052 19444 3779 1 15 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.665 -0.077 19444 3780 1 15 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.709 -0.619 19444 3781 1 15 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.443 -0.107 19444 3782 1 15 . 1 1 98 98 ARG H H 98 8.898 8.898 8.683 0.215 19444 3783 1 15 . 1 1 99 99 LEU N N 99 127.834 127.834 126.006 1.828 19444 3784 1 15 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.252 -0.656 19444 3785 1 15 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.901 0.677 19444 3786 1 15 . 1 1 99 99 LEU CB C 99 40.174 40.174 41.835 -1.661 19444 3787 1 15 . 1 1 99 99 LEU H H 99 8.362 8.362 8.589 -0.227 19444 3788 1 15 . 1 1 100 100 ASP N N 100 127.038 127.038 126.623 0.415 19444 3789 1 15 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.847 -0.135 19444 3790 1 15 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.070 -1.056 19444 3791 1 15 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.220 -1.822 19444 3792 1 15 . 1 1 100 100 ASP H H 100 7.998 7.998 8.451 -0.453 19444 3793 1 15 . 1 1 101 101 MET N N 101 122.551 122.551 119.533 3.018 19444 3794 1 15 . 1 1 101 101 MET HA H 101 4.533 4.533 4.617 -0.084 19444 3795 1 15 . 1 1 101 101 MET CA C 101 53.583 53.583 54.877 -1.294 19444 3796 1 15 . 1 1 101 101 MET CB C 101 33.400 33.400 33.302 0.098 19444 3797 1 15 . 1 1 101 101 MET H H 101 8.761 8.761 7.928 0.833 19444 3798 1 15 . 1 1 102 102 SER N N 102 116.261 116.261 117.012 -0.751 19444 3799 1 15 . 1 1 102 102 SER HA H 102 4.191 4.191 4.443 -0.252 19444 3800 1 15 . 1 1 102 102 SER CA C 102 58.655 58.655 57.489 1.166 19444 3801 1 15 . 1 1 102 102 SER CB C 102 64.764 64.764 65.141 -0.377 19444 3802 1 15 . 1 1 102 102 SER H H 102 8.212 8.212 7.957 0.255 19444 3803 1 15 . 1 1 103 103 ASP N N 103 121.700 121.700 124.173 -2.473 19444 3804 1 15 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.036 -0.223 19444 3805 1 15 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.383 0.085 19444 3806 1 15 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.505 -1.721 19444 3807 1 15 . 1 1 103 103 ASP H H 103 8.791 8.791 8.791 0.000 19444 3808 1 15 . 1 1 104 104 LYS N N 104 116.308 116.308 119.092 -2.784 19444 3809 1 15 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.219 -0.438 19444 3810 1 15 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.290 0.549 19444 3811 1 15 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.275 -0.103 19444 3812 1 15 . 1 1 104 104 LYS H H 104 7.886 7.886 7.645 0.241 19444 3813 1 15 . 1 1 105 105 ALA N N 105 122.364 122.364 122.866 -0.502 19444 3814 1 15 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.169 -0.209 19444 3815 1 15 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.769 0.269 19444 3816 1 15 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.999 -0.058 19444 3817 1 15 . 1 1 105 105 ALA H H 105 7.343 7.343 7.362 -0.019 19444 3818 1 15 . 1 1 106 106 ILE N N 106 119.713 119.713 119.278 0.435 19444 3819 1 15 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.639 -0.161 19444 3820 1 15 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.668 0.530 19444 3821 1 15 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.729 -0.206 19444 3822 1 15 . 1 1 106 106 ILE H H 106 8.124 8.124 8.218 -0.094 19444 3823 1 15 . 1 1 107 107 PHE N N 107 117.557 117.557 119.128 -1.571 19444 3824 1 15 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.531 -0.085 19444 3825 1 15 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.048 -2.121 19444 3826 1 15 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.908 -0.644 19444 3827 1 15 . 1 1 107 107 PHE H H 107 8.448 8.448 8.090 0.358 19444 3828 1 15 . 1 1 108 108 ARG N N 108 117.407 117.407 118.234 -0.827 19444 3829 1 15 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.173 -0.090 19444 3830 1 15 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.390 0.239 19444 3831 1 15 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.991 0.469 19444 3832 1 15 . 1 1 108 108 ARG H H 108 7.568 7.568 8.363 -0.795 19444 3833 1 15 . 1 1 109 109 ARG N N 109 117.561 117.561 118.051 -0.490 19444 3834 1 15 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.147 -0.149 19444 3835 1 15 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.275 -0.720 19444 3836 1 15 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.615 -0.028 19444 3837 1 15 . 1 1 109 109 ARG H H 109 7.281 7.281 7.883 -0.602 19444 3838 1 15 . 1 1 110 110 TYR N N 110 116.115 116.115 117.623 -1.508 19444 3839 1 15 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.113 0.215 19444 3840 1 15 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.067 -0.565 19444 3841 1 15 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.379 -0.890 19444 3842 1 15 . 1 1 110 110 TYR H H 110 8.877 8.877 8.302 0.575 19444 3843 1 15 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.546 -0.067 19444 3844 1 15 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.406 0.387 19444 3845 1 15 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.117 -0.446 19444 3846 1 15 . 1 1 112 112 HIS N N 112 116.277 116.277 116.882 -0.605 19444 3847 1 15 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.472 -0.040 19444 3848 1 15 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.664 0.810 19444 3849 1 15 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.056 0.765 19444 3850 1 15 . 1 1 112 112 HIS H H 112 8.300 8.300 8.458 -0.158 19444 3851 1 15 . 1 1 113 113 LEU N N 113 120.770 120.770 119.645 1.125 19444 3852 1 15 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.133 -0.032 19444 3853 1 15 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.258 -1.055 19444 3854 1 15 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.498 1.379 19444 3855 1 15 . 1 1 113 113 LEU H H 113 7.518 7.518 7.048 0.470 19444 3856 1 16 . 1 1 59 59 ALA N N 59 123.352 123.352 122.952 0.400 19444 3857 1 16 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.513 -0.229 19444 3858 1 16 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.354 -0.058 19444 3859 1 16 . 1 1 59 59 ALA CB C 59 19.633 19.633 19.806 -0.173 19444 3860 1 16 . 1 1 59 59 ALA H H 59 7.997 7.997 7.806 0.191 19444 3861 1 16 . 1 1 60 60 LEU N N 60 120.985 120.985 120.551 0.434 19444 3862 1 16 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.471 -0.018 19444 3863 1 16 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.493 -0.206 19444 3864 1 16 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.587 -0.332 19444 3865 1 16 . 1 1 60 60 LEU H H 60 8.169 8.169 8.034 0.135 19444 3866 1 16 . 1 1 61 61 ALA N N 61 125.303 125.303 123.782 1.521 19444 3867 1 16 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.693 -0.196 19444 3868 1 16 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.818 0.409 19444 3869 1 16 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.742 -0.566 19444 3870 1 16 . 1 1 61 61 ALA H H 61 8.445 8.445 8.274 0.171 19444 3871 1 16 . 1 1 62 62 ALA N N 62 127.804 127.804 126.247 1.557 19444 3872 1 16 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.713 -0.397 19444 3873 1 16 . 1 1 62 62 ALA CA C 62 52.009 52.009 50.901 1.108 19444 3874 1 16 . 1 1 62 62 ALA CB C 62 18.985 18.985 20.102 -1.117 19444 3875 1 16 . 1 1 62 62 ALA H H 62 8.583 8.583 9.046 -0.463 19444 3876 1 16 . 1 1 63 63 LEU N N 63 120.096 120.096 121.166 -1.070 19444 3877 1 16 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.993 -0.109 19444 3878 1 16 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.847 -0.955 19444 3879 1 16 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.387 -1.255 19444 3880 1 16 . 1 1 63 63 LEU H H 63 8.077 8.077 8.284 -0.207 19444 3881 1 16 . 1 1 64 64 HIS N N 64 122.245 122.245 118.911 3.334 19444 3882 1 16 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.610 -0.370 19444 3883 1 16 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.000 1.026 19444 3884 1 16 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.424 -0.086 19444 3885 1 16 . 1 1 64 64 HIS H H 64 8.629 8.629 8.719 -0.090 19444 3886 1 16 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.356 -0.006 19444 3887 1 16 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.892 0.457 19444 3888 1 16 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.757 -0.039 19444 3889 1 16 . 1 1 66 66 ASP N N 66 115.211 115.211 115.767 -0.556 19444 3890 1 16 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.778 -0.089 19444 3891 1 16 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.465 -0.943 19444 3892 1 16 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.172 -1.421 19444 3893 1 16 . 1 1 66 66 ASP H H 66 7.869 7.869 7.892 -0.023 19444 3894 1 16 . 1 1 67 67 GLY N N 67 105.349 105.349 108.869 -3.520 19444 3895 1 16 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.021 0.245 19444 3896 1 16 . 1 1 67 67 GLY H H 67 8.441 8.441 8.392 0.049 19444 3897 1 16 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.251 -0.132 19444 3898 1 16 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.999 -0.795 19444 3899 1 16 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444 3900 1 16 . 1 1 69 69 HIS N N 69 116.893 116.893 115.407 1.486 19444 3901 1 16 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.734 -0.049 19444 3902 1 16 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.648 0.338 19444 3903 1 16 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.320 0.157 19444 3904 1 16 . 1 1 69 69 HIS H H 69 8.503 8.503 8.144 0.359 19444 3905 1 16 . 1 1 70 70 ALA N N 70 120.705 120.705 122.004 -1.299 19444 3906 1 16 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.106 -0.539 19444 3907 1 16 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.697 0.082 19444 3908 1 16 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444 3909 1 16 . 1 1 70 70 ALA H H 70 6.892 6.892 7.487 -0.595 19444 3910 1 16 . 1 1 71 71 GLY N N 71 109.407 109.407 112.544 -3.137 19444 3911 1 16 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.010 0.336 19444 3912 1 16 . 1 1 71 71 GLY H H 71 9.144 9.144 8.974 0.170 19444 3913 1 16 . 1 1 72 72 LEU N N 72 119.969 119.969 122.802 -2.833 19444 3914 1 16 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.690 0.170 19444 3915 1 16 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.134 -0.058 19444 3916 1 16 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.583 -0.119 19444 3917 1 16 . 1 1 72 72 LEU H H 72 8.255 8.255 8.126 0.129 19444 3918 1 16 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.677 0.161 19444 3919 1 16 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.773 -1.264 19444 3920 1 16 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.196 -0.789 19444 3921 1 16 . 1 1 74 74 VAL N N 74 121.438 121.438 120.452 0.986 19444 3922 1 16 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.852 -0.363 19444 3923 1 16 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.202 1.451 19444 3924 1 16 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.107 -0.784 19444 3925 1 16 . 1 1 74 74 VAL H H 74 7.729 7.729 8.277 -0.548 19444 3926 1 16 . 1 1 75 75 THR N N 75 108.826 108.826 109.651 -0.825 19444 3927 1 16 . 1 1 75 75 THR HA H 75 5.015 5.015 4.611 0.404 19444 3928 1 16 . 1 1 75 75 THR CA C 75 59.822 59.822 59.232 0.590 19444 3929 1 16 . 1 1 75 75 THR CB C 75 74.087 74.087 71.836 2.251 19444 3930 1 16 . 1 1 75 75 THR H H 75 8.763 8.763 8.151 0.612 19444 3931 1 16 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.690 0.240 19444 3932 1 16 . 1 1 77 77 SER N N 77 114.493 114.493 114.026 0.467 19444 3933 1 16 . 1 1 77 77 SER HA H 77 4.133 4.133 4.178 -0.045 19444 3934 1 16 . 1 1 77 77 SER CA C 77 60.600 60.600 61.376 -0.776 19444 3935 1 16 . 1 1 77 77 SER CB C 77 62.378 62.378 62.661 -0.283 19444 3936 1 16 . 1 1 77 77 SER H H 77 8.231 8.231 8.314 -0.083 19444 3937 1 16 . 1 1 78 78 ASP N N 78 120.698 120.698 122.656 -1.958 19444 3938 1 16 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.329 0.080 19444 3939 1 16 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.370 0.709 19444 3940 1 16 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.363 2.971 19444 3941 1 16 . 1 1 78 78 ASP H H 78 7.388 7.388 8.013 -0.625 19444 3942 1 16 . 1 1 79 79 ALA N N 79 120.570 120.570 122.618 -2.048 19444 3943 1 16 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.836 -0.112 19444 3944 1 16 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.101 -0.200 19444 3945 1 16 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.211 1.535 19444 3946 1 16 . 1 1 79 79 ALA H H 79 7.873 7.873 8.312 -0.439 19444 3947 1 16 . 1 1 80 80 ARG N N 80 116.347 116.347 119.104 -2.757 19444 3948 1 16 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.037 -0.229 19444 3949 1 16 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.465 2.102 19444 3950 1 16 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.395 0.036 19444 3951 1 16 . 1 1 80 80 ARG H H 80 8.117 8.117 8.110 0.007 19444 3952 1 16 . 1 1 81 81 VAL N N 81 119.158 119.158 120.144 -0.986 19444 3953 1 16 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.855 -0.187 19444 3954 1 16 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.957 -0.044 19444 3955 1 16 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.728 0.044 19444 3956 1 16 . 1 1 81 81 VAL H H 81 7.373 7.373 8.243 -0.870 19444 3957 1 16 . 1 1 82 82 LEU N N 82 118.515 118.515 121.131 -2.616 19444 3958 1 16 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.920 0.192 19444 3959 1 16 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.606 -0.351 19444 3960 1 16 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.541 -0.037 19444 3961 1 16 . 1 1 82 82 LEU H H 82 7.589 7.589 8.315 -0.726 19444 3962 1 16 . 1 1 83 83 ILE N N 83 121.181 121.181 119.459 1.722 19444 3963 1 16 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.653 0.121 19444 3964 1 16 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.704 0.127 19444 3965 1 16 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.955 0.633 19444 3966 1 16 . 1 1 83 83 ILE H H 83 8.755 8.755 8.207 0.548 19444 3967 1 16 . 1 1 84 84 PHE N N 84 123.192 123.192 119.643 3.549 19444 3968 1 16 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.031 0.131 19444 3969 1 16 . 1 1 84 84 PHE CA C 84 62.656 62.656 61.852 0.804 19444 3970 1 16 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.153 -0.089 19444 3971 1 16 . 1 1 84 84 PHE H H 84 8.683 8.683 8.544 0.138 19444 3972 1 16 . 1 1 85 85 ASN N N 85 118.056 118.056 118.563 -0.507 19444 3973 1 16 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.463 0.002 19444 3974 1 16 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.228 -0.081 19444 3975 1 16 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.706 -0.804 19444 3976 1 16 . 1 1 85 85 ASN H H 85 8.892 8.892 8.621 0.271 19444 3977 1 16 . 1 1 86 86 ASP N N 86 120.374 120.374 121.955 -1.581 19444 3978 1 16 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.347 0.105 19444 3979 1 16 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.100 -0.803 19444 3980 1 16 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.893 1.374 19444 3981 1 16 . 1 1 86 86 ASP H H 86 8.146 8.146 8.389 -0.243 19444 3982 1 16 . 1 1 87 87 TRP N N 87 121.401 121.401 121.406 -0.005 19444 3983 1 16 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.096 -0.139 19444 3984 1 16 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.895 -0.108 19444 3985 1 16 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.513 -1.567 19444 3986 1 16 . 1 1 87 87 TRP H H 87 8.121 8.121 8.253 -0.132 19444 3987 1 16 . 1 1 88 88 GLU N N 88 117.779 117.779 118.073 -0.294 19444 3988 1 16 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.188 -0.242 19444 3989 1 16 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.695 -0.025 19444 3990 1 16 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.918 0.622 19444 3991 1 16 . 1 1 88 88 GLU H H 88 8.613 8.613 8.389 0.224 19444 3992 1 16 . 1 1 89 89 GLU N N 89 116.209 116.209 119.717 -3.508 19444 3993 1 16 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.877 0.124 19444 3994 1 16 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.261 -0.771 19444 3995 1 16 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.502 0.386 19444 3996 1 16 . 1 1 89 89 GLU H H 89 7.456 7.456 7.919 -0.463 19444 3997 1 16 . 1 1 90 90 ARG N N 90 119.957 119.957 118.327 1.630 19444 3998 1 16 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.908 0.045 19444 3999 1 16 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.705 -0.128 19444 4000 1 16 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.858 1.873 19444 4001 1 16 . 1 1 90 90 ARG H H 90 8.134 8.134 8.423 -0.289 19444 4002 1 16 . 1 1 91 91 LYS N N 91 118.871 118.871 120.393 -1.522 19444 4003 1 16 . 1 1 91 91 LYS HA H 91 3.672 3.672 3.940 -0.268 19444 4004 1 16 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.652 -0.942 19444 4005 1 16 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.590 -1.085 19444 4006 1 16 . 1 1 91 91 LYS H H 91 8.325 8.325 8.080 0.245 19444 4007 1 16 . 1 1 92 92 ARG N N 92 117.453 117.453 118.452 -0.999 19444 4008 1 16 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.922 -0.047 19444 4009 1 16 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.470 0.411 19444 4010 1 16 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.103 -0.318 19444 4011 1 16 . 1 1 92 92 ARG H H 92 7.069 7.069 7.864 -0.795 19444 4012 1 16 . 1 1 93 93 SER N N 93 110.842 110.842 113.666 -2.824 19444 4013 1 16 . 1 1 93 93 SER HA H 93 4.513 4.513 4.244 0.269 19444 4014 1 16 . 1 1 93 93 SER CA C 93 58.762 58.762 60.308 -1.546 19444 4015 1 16 . 1 1 93 93 SER CB C 93 64.164 64.164 63.996 0.168 19444 4016 1 16 . 1 1 93 93 SER H H 93 7.427 7.427 7.694 -0.267 19444 4017 1 16 . 1 1 94 94 GLU N N 94 121.732 121.732 118.953 2.779 19444 4018 1 16 . 1 1 94 94 GLU HA H 94 3.677 3.677 3.999 -0.322 19444 4019 1 16 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.808 0.078 19444 4020 1 16 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.140 -0.086 19444 4021 1 16 . 1 1 94 94 GLU H H 94 7.629 7.629 7.670 -0.041 19444 4022 1 16 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.324 -0.016 19444 4023 1 16 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.213 0.418 19444 4024 1 16 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.795 -0.311 19444 4025 1 16 . 1 1 96 96 TRP N N 96 115.321 115.321 116.421 -1.100 19444 4026 1 16 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.688 -0.033 19444 4027 1 16 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.826 1.940 19444 4028 1 16 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.220 -0.204 19444 4029 1 16 . 1 1 96 96 TRP H H 96 6.840 6.840 6.905 -0.065 19444 4030 1 16 . 1 1 97 97 LEU N N 97 125.159 125.159 123.274 1.885 19444 4031 1 16 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.348 -0.171 19444 4032 1 16 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.700 1.399 19444 4033 1 16 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.441 0.787 19444 4034 1 16 . 1 1 97 97 LEU H H 97 7.287 7.287 7.065 0.222 19444 4035 1 16 . 1 1 98 98 ARG N N 98 128.515 128.515 127.517 0.998 19444 4036 1 16 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.734 -0.146 19444 4037 1 16 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.281 -0.191 19444 4038 1 16 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.634 -0.298 19444 4039 1 16 . 1 1 98 98 ARG H H 98 8.898 8.898 8.639 0.259 19444 4040 1 16 . 1 1 99 99 LEU N N 99 127.834 127.834 124.328 3.506 19444 4041 1 16 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.490 -0.894 19444 4042 1 16 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.493 1.085 19444 4043 1 16 . 1 1 99 99 LEU CB C 99 40.174 40.174 44.317 -4.143 19444 4044 1 16 . 1 1 99 99 LEU H H 99 8.362 8.362 9.041 -0.679 19444 4045 1 16 . 1 1 100 100 ASP N N 100 127.038 127.038 128.477 -1.439 19444 4046 1 16 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.987 -0.275 19444 4047 1 16 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.011 -0.997 19444 4048 1 16 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.740 -0.342 19444 4049 1 16 . 1 1 100 100 ASP H H 100 7.998 7.998 8.685 -0.687 19444 4050 1 16 . 1 1 101 101 MET N N 101 122.551 122.551 118.931 3.620 19444 4051 1 16 . 1 1 101 101 MET HA H 101 4.533 4.533 4.734 -0.201 19444 4052 1 16 . 1 1 101 101 MET CA C 101 53.583 53.583 54.571 -0.988 19444 4053 1 16 . 1 1 101 101 MET CB C 101 33.400 33.400 33.936 -0.536 19444 4054 1 16 . 1 1 101 101 MET H H 101 8.761 8.761 7.656 1.105 19444 4055 1 16 . 1 1 102 102 SER N N 102 116.261 116.261 117.334 -1.073 19444 4056 1 16 . 1 1 102 102 SER HA H 102 4.191 4.191 4.440 -0.249 19444 4057 1 16 . 1 1 102 102 SER CA C 102 58.655 58.655 57.651 1.004 19444 4058 1 16 . 1 1 102 102 SER CB C 102 64.764 64.764 64.294 0.470 19444 4059 1 16 . 1 1 102 102 SER H H 102 8.212 8.212 7.971 0.241 19444 4060 1 16 . 1 1 103 103 ASP N N 103 121.700 121.700 124.778 -3.078 19444 4061 1 16 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.142 -0.329 19444 4062 1 16 . 1 1 103 103 ASP CA C 103 57.468 57.468 58.246 -0.778 19444 4063 1 16 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.657 -1.873 19444 4064 1 16 . 1 1 103 103 ASP H H 103 8.791 8.791 9.012 -0.221 19444 4065 1 16 . 1 1 104 104 LYS N N 104 116.308 116.308 119.254 -2.946 19444 4066 1 16 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.277 -0.496 19444 4067 1 16 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.834 1.005 19444 4068 1 16 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.899 0.273 19444 4069 1 16 . 1 1 104 104 LYS H H 104 7.886 7.886 8.058 -0.172 19444 4070 1 16 . 1 1 105 105 ALA N N 105 122.364 122.364 122.616 -0.252 19444 4071 1 16 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.167 -0.207 19444 4072 1 16 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.885 0.153 19444 4073 1 16 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.017 -0.076 19444 4074 1 16 . 1 1 105 105 ALA H H 105 7.343 7.343 7.553 -0.210 19444 4075 1 16 . 1 1 106 106 ILE N N 106 119.713 119.713 119.399 0.314 19444 4076 1 16 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.599 -0.121 19444 4077 1 16 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.653 0.545 19444 4078 1 16 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.631 -0.108 19444 4079 1 16 . 1 1 106 106 ILE H H 106 8.124 8.124 8.026 0.098 19444 4080 1 16 . 1 1 107 107 PHE N N 107 117.557 117.557 118.483 -0.926 19444 4081 1 16 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.665 -0.219 19444 4082 1 16 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.617 -2.690 19444 4083 1 16 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.106 -0.842 19444 4084 1 16 . 1 1 107 107 PHE H H 107 8.448 8.448 7.958 0.490 19444 4085 1 16 . 1 1 108 108 ARG N N 108 117.407 117.407 118.835 -1.428 19444 4086 1 16 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.203 -0.120 19444 4087 1 16 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.841 -0.212 19444 4088 1 16 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.279 0.181 19444 4089 1 16 . 1 1 108 108 ARG H H 108 7.568 7.568 8.379 -0.811 19444 4090 1 16 . 1 1 109 109 ARG N N 109 117.561 117.561 118.755 -1.194 19444 4091 1 16 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.115 -0.117 19444 4092 1 16 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.386 -0.831 19444 4093 1 16 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.470 0.117 19444 4094 1 16 . 1 1 109 109 ARG H H 109 7.281 7.281 7.819 -0.538 19444 4095 1 16 . 1 1 110 110 TYR N N 110 116.115 116.115 117.308 -1.193 19444 4096 1 16 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.104 0.224 19444 4097 1 16 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.057 -0.555 19444 4098 1 16 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.719 -1.230 19444 4099 1 16 . 1 1 110 110 TYR H H 110 8.877 8.877 8.217 0.660 19444 4100 1 16 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.659 -0.180 19444 4101 1 16 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.354 0.439 19444 4102 1 16 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.248 -0.577 19444 4103 1 16 . 1 1 112 112 HIS N N 112 116.277 116.277 114.898 1.379 19444 4104 1 16 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.463 -0.031 19444 4105 1 16 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.149 1.325 19444 4106 1 16 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.724 1.097 19444 4107 1 16 . 1 1 112 112 HIS H H 112 8.300 8.300 8.534 -0.234 19444 4108 1 16 . 1 1 113 113 LEU N N 113 120.770 120.770 119.466 1.304 19444 4109 1 16 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.143 -0.042 19444 4110 1 16 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.309 -1.105 19444 4111 1 16 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.510 1.367 19444 4112 1 16 . 1 1 113 113 LEU H H 113 7.518 7.518 7.118 0.400 19444 4113 1 17 . 1 1 59 59 ALA N N 59 123.352 123.352 124.742 -1.390 19444 4114 1 17 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.525 -0.241 19444 4115 1 17 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.878 0.418 19444 4116 1 17 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.724 -1.091 19444 4117 1 17 . 1 1 59 59 ALA H H 59 7.997 7.997 8.272 -0.275 19444 4118 1 17 . 1 1 60 60 LEU N N 60 120.985 120.985 121.413 -0.428 19444 4119 1 17 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.458 -0.005 19444 4120 1 17 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.547 -0.260 19444 4121 1 17 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.135 0.120 19444 4122 1 17 . 1 1 60 60 LEU H H 60 8.169 8.169 8.368 -0.199 19444 4123 1 17 . 1 1 61 61 ALA N N 61 125.303 125.303 125.428 -0.125 19444 4124 1 17 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.553 -0.056 19444 4125 1 17 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.781 0.447 19444 4126 1 17 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.639 -0.463 19444 4127 1 17 . 1 1 61 61 ALA H H 61 8.445 8.445 8.179 0.266 19444 4128 1 17 . 1 1 62 62 ALA N N 62 127.804 127.804 126.585 1.219 19444 4129 1 17 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.621 -0.305 19444 4130 1 17 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.406 0.603 19444 4131 1 17 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.756 -0.771 19444 4132 1 17 . 1 1 62 62 ALA H H 62 8.583 8.583 9.066 -0.483 19444 4133 1 17 . 1 1 63 63 LEU N N 63 120.096 120.096 122.122 -2.026 19444 4134 1 17 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.993 -0.109 19444 4135 1 17 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.775 -0.883 19444 4136 1 17 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.173 -1.041 19444 4137 1 17 . 1 1 63 63 LEU H H 63 8.077 8.077 8.291 -0.214 19444 4138 1 17 . 1 1 64 64 HIS N N 64 122.245 122.245 119.063 3.182 19444 4139 1 17 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.591 -0.351 19444 4140 1 17 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.049 0.977 19444 4141 1 17 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.345 -0.007 19444 4142 1 17 . 1 1 64 64 HIS H H 64 8.629 8.629 8.703 -0.074 19444 4143 1 17 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.285 0.065 19444 4144 1 17 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.249 0.099 19444 4145 1 17 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.665 0.053 19444 4146 1 17 . 1 1 66 66 ASP N N 66 115.211 115.211 114.878 0.333 19444 4147 1 17 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.731 -0.042 19444 4148 1 17 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.251 -0.729 19444 4149 1 17 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.803 -0.052 19444 4150 1 17 . 1 1 66 66 ASP H H 66 7.869 7.869 7.795 0.074 19444 4151 1 17 . 1 1 67 67 GLY N N 67 105.349 105.349 109.717 -4.368 19444 4152 1 17 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.041 0.225 19444 4153 1 17 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444 4154 1 17 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444 4155 1 17 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.002 -0.798 19444 4156 1 17 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.615 -0.094 19444 4157 1 17 . 1 1 69 69 HIS N N 69 116.893 116.893 115.384 1.509 19444 4158 1 17 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444 4159 1 17 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.635 0.351 19444 4160 1 17 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.318 0.159 19444 4161 1 17 . 1 1 69 69 HIS H H 69 8.503 8.503 8.154 0.349 19444 4162 1 17 . 1 1 70 70 ALA N N 70 120.705 120.705 122.006 -1.301 19444 4163 1 17 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444 4164 1 17 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.701 0.078 19444 4165 1 17 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.298 -0.098 19444 4166 1 17 . 1 1 70 70 ALA H H 70 6.892 6.892 7.489 -0.597 19444 4167 1 17 . 1 1 71 71 GLY N N 71 109.407 109.407 112.567 -3.160 19444 4168 1 17 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.989 0.357 19444 4169 1 17 . 1 1 71 71 GLY H H 71 9.144 9.144 8.997 0.147 19444 4170 1 17 . 1 1 72 72 LEU N N 72 119.969 119.969 122.875 -2.906 19444 4171 1 17 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.665 0.195 19444 4172 1 17 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.146 -0.070 19444 4173 1 17 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.574 -0.110 19444 4174 1 17 . 1 1 72 72 LEU H H 72 8.255 8.255 8.213 0.042 19444 4175 1 17 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.644 0.194 19444 4176 1 17 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.807 -1.297 19444 4177 1 17 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.197 -0.790 19444 4178 1 17 . 1 1 74 74 VAL N N 74 121.438 121.438 120.209 1.229 19444 4179 1 17 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.925 -0.436 19444 4180 1 17 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.489 1.164 19444 4181 1 17 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.233 -0.910 19444 4182 1 17 . 1 1 74 74 VAL H H 74 7.729 7.729 8.375 -0.646 19444 4183 1 17 . 1 1 75 75 THR N N 75 108.826 108.826 109.591 -0.765 19444 4184 1 17 . 1 1 75 75 THR HA H 75 5.015 5.015 4.608 0.407 19444 4185 1 17 . 1 1 75 75 THR CA C 75 59.822 59.822 59.168 0.654 19444 4186 1 17 . 1 1 75 75 THR CB C 75 74.087 74.087 71.745 2.342 19444 4187 1 17 . 1 1 75 75 THR H H 75 8.763 8.763 8.075 0.688 19444 4188 1 17 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.687 0.243 19444 4189 1 17 . 1 1 77 77 SER N N 77 114.493 114.493 114.293 0.200 19444 4190 1 17 . 1 1 77 77 SER HA H 77 4.133 4.133 4.148 -0.015 19444 4191 1 17 . 1 1 77 77 SER CA C 77 60.600 60.600 61.410 -0.810 19444 4192 1 17 . 1 1 77 77 SER CB C 77 62.378 62.378 62.652 -0.274 19444 4193 1 17 . 1 1 77 77 SER H H 77 8.231 8.231 8.297 -0.066 19444 4194 1 17 . 1 1 78 78 ASP N N 78 120.698 120.698 122.599 -1.901 19444 4195 1 17 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.308 0.100 19444 4196 1 17 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.382 0.697 19444 4197 1 17 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.383 2.951 19444 4198 1 17 . 1 1 78 78 ASP H H 78 7.388 7.388 7.978 -0.590 19444 4199 1 17 . 1 1 79 79 ALA N N 79 120.570 120.570 122.752 -2.182 19444 4200 1 17 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.844 -0.120 19444 4201 1 17 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.170 -0.269 19444 4202 1 17 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.177 1.569 19444 4203 1 17 . 1 1 79 79 ALA H H 79 7.873 7.873 8.357 -0.484 19444 4204 1 17 . 1 1 80 80 ARG N N 80 116.347 116.347 119.175 -2.828 19444 4205 1 17 . 1 1 80 80 ARG HA H 80 3.808 3.808 4.005 -0.197 19444 4206 1 17 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.358 2.209 19444 4207 1 17 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.310 0.121 19444 4208 1 17 . 1 1 80 80 ARG H H 80 8.117 8.117 8.095 0.022 19444 4209 1 17 . 1 1 81 81 VAL N N 81 119.158 119.158 120.481 -1.323 19444 4210 1 17 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.820 -0.152 19444 4211 1 17 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.837 0.076 19444 4212 1 17 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.761 0.011 19444 4213 1 17 . 1 1 81 81 VAL H H 81 7.373 7.373 8.076 -0.703 19444 4214 1 17 . 1 1 82 82 LEU N N 82 118.515 118.515 121.750 -3.235 19444 4215 1 17 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.857 0.255 19444 4216 1 17 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.700 -0.445 19444 4217 1 17 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.918 -0.414 19444 4218 1 17 . 1 1 82 82 LEU H H 82 7.589 7.589 8.371 -0.782 19444 4219 1 17 . 1 1 83 83 ILE N N 83 121.181 121.181 119.111 2.070 19444 4220 1 17 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.655 0.119 19444 4221 1 17 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.781 0.050 19444 4222 1 17 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.964 0.624 19444 4223 1 17 . 1 1 83 83 ILE H H 83 8.755 8.755 8.254 0.501 19444 4224 1 17 . 1 1 84 84 PHE N N 84 123.192 123.192 120.142 3.050 19444 4225 1 17 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.051 0.111 19444 4226 1 17 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.390 0.266 19444 4227 1 17 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.028 0.036 19444 4228 1 17 . 1 1 84 84 PHE H H 84 8.683 8.683 8.601 0.082 19444 4229 1 17 . 1 1 85 85 ASN N N 85 118.056 118.056 118.447 -0.391 19444 4230 1 17 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.307 0.158 19444 4231 1 17 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.456 -0.309 19444 4232 1 17 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.564 -0.661 19444 4233 1 17 . 1 1 85 85 ASN H H 85 8.892 8.892 8.569 0.323 19444 4234 1 17 . 1 1 86 86 ASP N N 86 120.374 120.374 120.972 -0.598 19444 4235 1 17 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.354 0.098 19444 4236 1 17 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.872 -0.575 19444 4237 1 17 . 1 1 86 86 ASP CB C 86 42.267 42.267 41.017 1.250 19444 4238 1 17 . 1 1 86 86 ASP H H 86 8.146 8.146 8.370 -0.224 19444 4239 1 17 . 1 1 87 87 TRP N N 87 121.401 121.401 121.564 -0.163 19444 4240 1 17 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.150 -0.193 19444 4241 1 17 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.756 0.031 19444 4242 1 17 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.621 -1.675 19444 4243 1 17 . 1 1 87 87 TRP H H 87 8.121 8.121 8.549 -0.428 19444 4244 1 17 . 1 1 88 88 GLU N N 88 117.779 117.779 118.169 -0.390 19444 4245 1 17 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.153 -0.207 19444 4246 1 17 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.583 0.087 19444 4247 1 17 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.954 0.586 19444 4248 1 17 . 1 1 88 88 GLU H H 88 8.613 8.613 8.487 0.126 19444 4249 1 17 . 1 1 89 89 GLU N N 89 116.209 116.209 119.775 -3.566 19444 4250 1 17 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444 4251 1 17 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.041 -0.551 19444 4252 1 17 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.350 0.538 19444 4253 1 17 . 1 1 89 89 GLU H H 89 7.456 7.456 8.015 -0.559 19444 4254 1 17 . 1 1 90 90 ARG N N 90 119.957 119.957 118.286 1.671 19444 4255 1 17 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.051 -0.098 19444 4256 1 17 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.645 -0.068 19444 4257 1 17 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.218 1.513 19444 4258 1 17 . 1 1 90 90 ARG H H 90 8.134 8.134 8.070 0.064 19444 4259 1 17 . 1 1 91 91 LYS N N 91 118.871 118.871 120.965 -2.094 19444 4260 1 17 . 1 1 91 91 LYS HA H 91 3.672 3.672 3.993 -0.321 19444 4261 1 17 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.634 -0.924 19444 4262 1 17 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.673 -1.168 19444 4263 1 17 . 1 1 91 91 LYS H H 91 8.325 8.325 8.008 0.317 19444 4264 1 17 . 1 1 92 92 ARG N N 92 117.453 117.453 118.735 -1.282 19444 4265 1 17 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.929 -0.054 19444 4266 1 17 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.528 0.353 19444 4267 1 17 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.216 -0.431 19444 4268 1 17 . 1 1 92 92 ARG H H 92 7.069 7.069 8.012 -0.943 19444 4269 1 17 . 1 1 93 93 SER N N 93 110.842 110.842 113.185 -2.343 19444 4270 1 17 . 1 1 93 93 SER HA H 93 4.513 4.513 4.300 0.213 19444 4271 1 17 . 1 1 93 93 SER CA C 93 58.762 58.762 59.454 -0.692 19444 4272 1 17 . 1 1 93 93 SER CB C 93 64.164 64.164 64.245 -0.081 19444 4273 1 17 . 1 1 93 93 SER H H 93 7.427 7.427 7.775 -0.348 19444 4274 1 17 . 1 1 94 94 GLU N N 94 121.732 121.732 121.019 0.713 19444 4275 1 17 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.102 -0.425 19444 4276 1 17 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.621 0.265 19444 4277 1 17 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.472 -0.418 19444 4278 1 17 . 1 1 94 94 GLU H H 94 7.629 7.629 7.884 -0.255 19444 4279 1 17 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.361 -0.053 19444 4280 1 17 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.159 0.472 19444 4281 1 17 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.818 -0.334 19444 4282 1 17 . 1 1 96 96 TRP N N 96 115.321 115.321 116.878 -1.557 19444 4283 1 17 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.749 -0.094 19444 4284 1 17 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.986 1.780 19444 4285 1 17 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.113 -0.097 19444 4286 1 17 . 1 1 96 96 TRP H H 96 6.840 6.840 6.819 0.021 19444 4287 1 17 . 1 1 97 97 LEU N N 97 125.159 125.159 122.777 2.382 19444 4288 1 17 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.469 -0.292 19444 4289 1 17 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.982 1.117 19444 4290 1 17 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.590 0.638 19444 4291 1 17 . 1 1 97 97 LEU H H 97 7.287 7.287 7.013 0.274 19444 4292 1 17 . 1 1 98 98 ARG N N 98 128.515 128.515 127.293 1.222 19444 4293 1 17 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.465 0.123 19444 4294 1 17 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.996 -0.906 19444 4295 1 17 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.323 0.013 19444 4296 1 17 . 1 1 98 98 ARG H H 98 8.898 8.898 8.672 0.226 19444 4297 1 17 . 1 1 99 99 LEU N N 99 127.834 127.834 124.368 3.466 19444 4298 1 17 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.306 -0.710 19444 4299 1 17 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.976 0.602 19444 4300 1 17 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.375 -2.201 19444 4301 1 17 . 1 1 99 99 LEU H H 99 8.362 8.362 8.431 -0.069 19444 4302 1 17 . 1 1 100 100 ASP N N 100 127.038 127.038 128.921 -1.883 19444 4303 1 17 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.998 -0.286 19444 4304 1 17 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.098 -1.084 19444 4305 1 17 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.023 0.375 19444 4306 1 17 . 1 1 100 100 ASP H H 100 7.998 7.998 8.911 -0.913 19444 4307 1 17 . 1 1 101 101 MET N N 101 122.551 122.551 116.923 5.628 19444 4308 1 17 . 1 1 101 101 MET HA H 101 4.533 4.533 4.645 -0.112 19444 4309 1 17 . 1 1 101 101 MET CA C 101 53.583 53.583 54.428 -0.845 19444 4310 1 17 . 1 1 101 101 MET CB C 101 33.400 33.400 33.790 -0.390 19444 4311 1 17 . 1 1 101 101 MET H H 101 8.761 8.761 7.804 0.957 19444 4312 1 17 . 1 1 102 102 SER N N 102 116.261 116.261 117.695 -1.434 19444 4313 1 17 . 1 1 102 102 SER HA H 102 4.191 4.191 3.712 0.479 19444 4314 1 17 . 1 1 102 102 SER CA C 102 58.655 58.655 57.212 1.443 19444 4315 1 17 . 1 1 102 102 SER CB C 102 64.764 64.764 64.366 0.398 19444 4316 1 17 . 1 1 102 102 SER H H 102 8.212 8.212 8.043 0.169 19444 4317 1 17 . 1 1 103 103 ASP N N 103 121.700 121.700 123.799 -2.099 19444 4318 1 17 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.089 -0.276 19444 4319 1 17 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.235 0.233 19444 4320 1 17 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.383 -1.599 19444 4321 1 17 . 1 1 103 103 ASP H H 103 8.791 8.791 8.728 0.063 19444 4322 1 17 . 1 1 104 104 LYS N N 104 116.308 116.308 119.909 -3.601 19444 4323 1 17 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.191 -0.410 19444 4324 1 17 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.062 0.777 19444 4325 1 17 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.296 -0.124 19444 4326 1 17 . 1 1 104 104 LYS H H 104 7.886 7.886 7.951 -0.065 19444 4327 1 17 . 1 1 105 105 ALA N N 105 122.364 122.364 122.378 -0.014 19444 4328 1 17 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.991 -0.031 19444 4329 1 17 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.591 0.447 19444 4330 1 17 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.728 0.213 19444 4331 1 17 . 1 1 105 105 ALA H H 105 7.343 7.343 7.269 0.074 19444 4332 1 17 . 1 1 106 106 ILE N N 106 119.713 119.713 119.343 0.370 19444 4333 1 17 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.563 -0.085 19444 4334 1 17 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.589 0.609 19444 4335 1 17 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.631 -0.108 19444 4336 1 17 . 1 1 106 106 ILE H H 106 8.124 8.124 8.078 0.046 19444 4337 1 17 . 1 1 107 107 PHE N N 107 117.557 117.557 118.583 -1.026 19444 4338 1 17 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.622 -0.176 19444 4339 1 17 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.542 -2.615 19444 4340 1 17 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.206 -0.942 19444 4341 1 17 . 1 1 107 107 PHE H H 107 8.448 8.448 8.136 0.312 19444 4342 1 17 . 1 1 108 108 ARG N N 108 117.407 117.407 118.480 -1.073 19444 4343 1 17 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.215 -0.132 19444 4344 1 17 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.211 0.418 19444 4345 1 17 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.976 0.484 19444 4346 1 17 . 1 1 108 108 ARG H H 108 7.568 7.568 8.320 -0.752 19444 4347 1 17 . 1 1 109 109 ARG N N 109 117.561 117.561 118.278 -0.717 19444 4348 1 17 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.125 -0.127 19444 4349 1 17 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.309 -0.754 19444 4350 1 17 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.560 0.027 19444 4351 1 17 . 1 1 109 109 ARG H H 109 7.281 7.281 7.876 -0.595 19444 4352 1 17 . 1 1 110 110 TYR N N 110 116.115 116.115 117.186 -1.071 19444 4353 1 17 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.105 0.223 19444 4354 1 17 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.083 -0.581 19444 4355 1 17 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.613 -1.124 19444 4356 1 17 . 1 1 110 110 TYR H H 110 8.877 8.877 8.192 0.685 19444 4357 1 17 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.602 -0.123 19444 4358 1 17 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.437 0.356 19444 4359 1 17 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.140 -0.469 19444 4360 1 17 . 1 1 112 112 HIS N N 112 116.277 116.277 115.151 1.126 19444 4361 1 17 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.446 -0.014 19444 4362 1 17 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.397 1.077 19444 4363 1 17 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.781 1.040 19444 4364 1 17 . 1 1 112 112 HIS H H 112 8.300 8.300 8.505 -0.205 19444 4365 1 17 . 1 1 113 113 LEU N N 113 120.770 120.770 119.313 1.457 19444 4366 1 17 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.099 0.002 19444 4367 1 17 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.581 -1.378 19444 4368 1 17 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.482 1.395 19444 4369 1 17 . 1 1 113 113 LEU H H 113 7.518 7.518 7.111 0.407 19444 4370 1 18 . 1 1 59 59 ALA N N 59 123.352 123.352 125.196 -1.844 19444 4371 1 18 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.609 -0.325 19444 4372 1 18 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.861 0.435 19444 4373 1 18 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.858 -1.225 19444 4374 1 18 . 1 1 59 59 ALA H H 59 7.997 7.997 8.352 -0.355 19444 4375 1 18 . 1 1 60 60 LEU N N 60 120.985 120.985 121.062 -0.077 19444 4376 1 18 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.441 0.012 19444 4377 1 18 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.706 -0.419 19444 4378 1 18 . 1 1 60 60 LEU CB C 60 43.255 43.255 42.684 0.572 19444 4379 1 18 . 1 1 60 60 LEU H H 60 8.169 8.169 8.335 -0.166 19444 4380 1 18 . 1 1 61 61 ALA N N 61 125.303 125.303 123.715 1.588 19444 4381 1 18 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.607 -0.110 19444 4382 1 18 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.833 0.394 19444 4383 1 18 . 1 1 61 61 ALA CB C 61 20.176 20.176 21.507 -1.331 19444 4384 1 18 . 1 1 61 61 ALA H H 61 8.445 8.445 8.084 0.361 19444 4385 1 18 . 1 1 62 62 ALA N N 62 127.804 127.804 125.858 1.946 19444 4386 1 18 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.672 -0.356 19444 4387 1 18 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.260 0.749 19444 4388 1 18 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.796 -0.811 19444 4389 1 18 . 1 1 62 62 ALA H H 62 8.583 8.583 9.102 -0.519 19444 4390 1 18 . 1 1 63 63 LEU N N 63 120.096 120.096 122.155 -2.059 19444 4391 1 18 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.004 -0.120 19444 4392 1 18 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.836 -0.944 19444 4393 1 18 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.143 -1.011 19444 4394 1 18 . 1 1 63 63 LEU H H 63 8.077 8.077 8.314 -0.237 19444 4395 1 18 . 1 1 64 64 HIS N N 64 122.245 122.245 119.099 3.146 19444 4396 1 18 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.585 -0.345 19444 4397 1 18 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.133 0.894 19444 4398 1 18 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.410 -0.072 19444 4399 1 18 . 1 1 64 64 HIS H H 64 8.629 8.629 8.723 -0.094 19444 4400 1 18 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.299 0.051 19444 4401 1 18 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.186 0.163 19444 4402 1 18 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.689 0.029 19444 4403 1 18 . 1 1 66 66 ASP N N 66 115.211 115.211 115.002 0.209 19444 4404 1 18 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.734 -0.045 19444 4405 1 18 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.267 -0.745 19444 4406 1 18 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.799 -0.048 19444 4407 1 18 . 1 1 66 66 ASP H H 66 7.869 7.869 7.799 0.070 19444 4408 1 18 . 1 1 67 67 GLY N N 67 105.349 105.349 109.729 -4.380 19444 4409 1 18 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.037 0.229 19444 4410 1 18 . 1 1 67 67 GLY H H 67 8.441 8.441 8.374 0.067 19444 4411 1 18 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.246 -0.127 19444 4412 1 18 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.990 -0.786 19444 4413 1 18 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.608 -0.087 19444 4414 1 18 . 1 1 69 69 HIS N N 69 116.893 116.893 115.374 1.519 19444 4415 1 18 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.727 -0.042 19444 4416 1 18 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.665 0.321 19444 4417 1 18 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.351 0.126 19444 4418 1 18 . 1 1 69 69 HIS H H 69 8.503 8.503 8.139 0.364 19444 4419 1 18 . 1 1 70 70 ALA N N 70 120.705 120.705 121.999 -1.294 19444 4420 1 18 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.107 -0.540 19444 4421 1 18 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.706 0.073 19444 4422 1 18 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.297 -0.097 19444 4423 1 18 . 1 1 70 70 ALA H H 70 6.892 6.892 7.487 -0.595 19444 4424 1 18 . 1 1 71 71 GLY N N 71 109.407 109.407 112.578 -3.171 19444 4425 1 18 . 1 1 71 71 GLY CA C 71 45.346 45.346 44.991 0.355 19444 4426 1 18 . 1 1 71 71 GLY H H 71 9.144 9.144 8.990 0.154 19444 4427 1 18 . 1 1 72 72 LEU N N 72 119.969 119.969 122.920 -2.951 19444 4428 1 18 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.693 0.167 19444 4429 1 18 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.206 -0.130 19444 4430 1 18 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.583 -0.118 19444 4431 1 18 . 1 1 72 72 LEU H H 72 8.255 8.255 8.228 0.027 19444 4432 1 18 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.634 0.204 19444 4433 1 18 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.847 -1.337 19444 4434 1 18 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.165 -0.758 19444 4435 1 18 . 1 1 74 74 VAL N N 74 121.438 121.438 120.743 0.695 19444 4436 1 18 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.872 -0.383 19444 4437 1 18 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.246 1.407 19444 4438 1 18 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.120 -0.797 19444 4439 1 18 . 1 1 74 74 VAL H H 74 7.729 7.729 8.390 -0.661 19444 4440 1 18 . 1 1 75 75 THR N N 75 108.826 108.826 109.841 -1.015 19444 4441 1 18 . 1 1 75 75 THR HA H 75 5.015 5.015 4.587 0.428 19444 4442 1 18 . 1 1 75 75 THR CA C 75 59.822 59.822 59.286 0.535 19444 4443 1 18 . 1 1 75 75 THR CB C 75 74.087 74.087 71.784 2.304 19444 4444 1 18 . 1 1 75 75 THR H H 75 8.763 8.763 8.146 0.617 19444 4445 1 18 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.718 0.212 19444 4446 1 18 . 1 1 77 77 SER N N 77 114.493 114.493 113.501 0.992 19444 4447 1 18 . 1 1 77 77 SER HA H 77 4.133 4.133 4.109 0.024 19444 4448 1 18 . 1 1 77 77 SER CA C 77 60.600 60.600 61.372 -0.772 19444 4449 1 18 . 1 1 77 77 SER CB C 77 62.378 62.378 62.788 -0.410 19444 4450 1 18 . 1 1 77 77 SER H H 77 8.231 8.231 7.888 0.343 19444 4451 1 18 . 1 1 78 78 ASP N N 78 120.698 120.698 122.048 -1.350 19444 4452 1 18 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.289 0.119 19444 4453 1 18 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.413 0.666 19444 4454 1 18 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.436 2.898 19444 4455 1 18 . 1 1 78 78 ASP H H 78 7.388 7.388 7.970 -0.582 19444 4456 1 18 . 1 1 79 79 ALA N N 79 120.570 120.570 122.665 -2.095 19444 4457 1 18 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.825 -0.101 19444 4458 1 18 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.098 -0.197 19444 4459 1 18 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.165 1.581 19444 4460 1 18 . 1 1 79 79 ALA H H 79 7.873 7.873 8.347 -0.474 19444 4461 1 18 . 1 1 80 80 ARG N N 80 116.347 116.347 119.178 -2.831 19444 4462 1 18 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.993 -0.185 19444 4463 1 18 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.447 2.120 19444 4464 1 18 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.336 0.095 19444 4465 1 18 . 1 1 80 80 ARG H H 80 8.117 8.117 7.975 0.142 19444 4466 1 18 . 1 1 81 81 VAL N N 81 119.158 119.158 120.030 -0.872 19444 4467 1 18 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.839 -0.171 19444 4468 1 18 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.947 -0.034 19444 4469 1 18 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.694 0.078 19444 4470 1 18 . 1 1 81 81 VAL H H 81 7.373 7.373 8.246 -0.874 19444 4471 1 18 . 1 1 82 82 LEU N N 82 118.515 118.515 121.820 -3.305 19444 4472 1 18 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.857 0.255 19444 4473 1 18 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.683 -0.428 19444 4474 1 18 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.885 -0.381 19444 4475 1 18 . 1 1 82 82 LEU H H 82 7.589 7.589 8.325 -0.736 19444 4476 1 18 . 1 1 83 83 ILE N N 83 121.181 121.181 119.235 1.946 19444 4477 1 18 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.671 0.103 19444 4478 1 18 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.775 0.056 19444 4479 1 18 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.961 0.627 19444 4480 1 18 . 1 1 83 83 ILE H H 83 8.755 8.755 8.150 0.605 19444 4481 1 18 . 1 1 84 84 PHE N N 84 123.192 123.192 120.398 2.794 19444 4482 1 18 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.084 0.078 19444 4483 1 18 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.138 0.518 19444 4484 1 18 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.198 -0.134 19444 4485 1 18 . 1 1 84 84 PHE H H 84 8.683 8.683 8.671 0.012 19444 4486 1 18 . 1 1 85 85 ASN N N 85 118.056 118.056 118.536 -0.480 19444 4487 1 18 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.511 -0.046 19444 4488 1 18 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.210 -0.063 19444 4489 1 18 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.733 -0.830 19444 4490 1 18 . 1 1 85 85 ASN H H 85 8.892 8.892 8.674 0.218 19444 4491 1 18 . 1 1 86 86 ASP N N 86 120.374 120.374 122.562 -2.188 19444 4492 1 18 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.395 0.057 19444 4493 1 18 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.732 -0.435 19444 4494 1 18 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.816 1.452 19444 4495 1 18 . 1 1 86 86 ASP H H 86 8.146 8.146 8.407 -0.261 19444 4496 1 18 . 1 1 87 87 TRP N N 87 121.401 121.401 121.339 0.062 19444 4497 1 18 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.156 -0.199 19444 4498 1 18 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.370 0.417 19444 4499 1 18 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.604 -1.658 19444 4500 1 18 . 1 1 87 87 TRP H H 87 8.121 8.121 8.360 -0.239 19444 4501 1 18 . 1 1 88 88 GLU N N 88 117.779 117.779 117.887 -0.108 19444 4502 1 18 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.128 -0.182 19444 4503 1 18 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.653 0.017 19444 4504 1 18 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.890 0.650 19444 4505 1 18 . 1 1 88 88 GLU H H 88 8.613 8.613 8.493 0.120 19444 4506 1 18 . 1 1 89 89 GLU N N 89 116.209 116.209 119.667 -3.458 19444 4507 1 18 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.891 0.110 19444 4508 1 18 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.304 -0.814 19444 4509 1 18 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.566 0.322 19444 4510 1 18 . 1 1 89 89 GLU H H 89 7.456 7.456 7.880 -0.424 19444 4511 1 18 . 1 1 90 90 ARG N N 90 119.957 119.957 117.881 2.076 19444 4512 1 18 . 1 1 90 90 ARG HA H 90 3.953 3.953 4.039 -0.086 19444 4513 1 18 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.011 0.566 19444 4514 1 18 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.771 1.960 19444 4515 1 18 . 1 1 90 90 ARG H H 90 8.134 8.134 8.472 -0.338 19444 4516 1 18 . 1 1 91 91 LYS N N 91 118.871 118.871 120.496 -1.625 19444 4517 1 18 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.076 -0.404 19444 4518 1 18 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.418 -0.708 19444 4519 1 18 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.641 -1.136 19444 4520 1 18 . 1 1 91 91 LYS H H 91 8.325 8.325 8.117 0.208 19444 4521 1 18 . 1 1 92 92 ARG N N 92 117.453 117.453 119.239 -1.786 19444 4522 1 18 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.947 -0.072 19444 4523 1 18 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.672 0.209 19444 4524 1 18 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.263 -0.478 19444 4525 1 18 . 1 1 92 92 ARG H H 92 7.069 7.069 7.768 -0.699 19444 4526 1 18 . 1 1 93 93 SER N N 93 110.842 110.842 112.373 -1.531 19444 4527 1 18 . 1 1 93 93 SER HA H 93 4.513 4.513 4.312 0.201 19444 4528 1 18 . 1 1 93 93 SER CA C 93 58.762 58.762 59.391 -0.629 19444 4529 1 18 . 1 1 93 93 SER CB C 93 64.164 64.164 64.257 -0.093 19444 4530 1 18 . 1 1 93 93 SER H H 93 7.427 7.427 7.751 -0.324 19444 4531 1 18 . 1 1 94 94 GLU N N 94 121.732 121.732 121.211 0.521 19444 4532 1 18 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.128 -0.451 19444 4533 1 18 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.453 0.433 19444 4534 1 18 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.323 -0.269 19444 4535 1 18 . 1 1 94 94 GLU H H 94 7.629 7.629 7.846 -0.217 19444 4536 1 18 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.407 -0.099 19444 4537 1 18 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.275 0.356 19444 4538 1 18 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.854 -0.370 19444 4539 1 18 . 1 1 96 96 TRP N N 96 115.321 115.321 116.213 -0.892 19444 4540 1 18 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.765 -0.110 19444 4541 1 18 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.763 2.003 19444 4542 1 18 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.511 -0.495 19444 4543 1 18 . 1 1 96 96 TRP H H 96 6.840 6.840 6.925 -0.085 19444 4544 1 18 . 1 1 97 97 LEU N N 97 125.159 125.159 124.181 0.978 19444 4545 1 18 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.545 -0.368 19444 4546 1 18 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.360 1.739 19444 4547 1 18 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.317 0.911 19444 4548 1 18 . 1 1 97 97 LEU H H 97 7.287 7.287 7.213 0.074 19444 4549 1 18 . 1 1 98 98 ARG N N 98 128.515 128.515 128.002 0.513 19444 4550 1 18 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.600 -0.012 19444 4551 1 18 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.288 -1.198 19444 4552 1 18 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.384 -0.047 19444 4553 1 18 . 1 1 98 98 ARG H H 98 8.898 8.898 8.611 0.287 19444 4554 1 18 . 1 1 99 99 LEU N N 99 127.834 127.834 127.997 -0.163 19444 4555 1 18 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.396 -0.800 19444 4556 1 18 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.938 0.640 19444 4557 1 18 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.036 -2.862 19444 4558 1 18 . 1 1 99 99 LEU H H 99 8.362 8.362 8.573 -0.211 19444 4559 1 18 . 1 1 100 100 ASP N N 100 127.038 127.038 124.746 2.292 19444 4560 1 18 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.011 -0.299 19444 4561 1 18 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.475 -0.461 19444 4562 1 18 . 1 1 100 100 ASP CB C 100 41.398 41.398 43.036 -1.638 19444 4563 1 18 . 1 1 100 100 ASP H H 100 7.998 7.998 8.548 -0.550 19444 4564 1 18 . 1 1 101 101 MET N N 101 122.551 122.551 117.564 4.987 19444 4565 1 18 . 1 1 101 101 MET HA H 101 4.533 4.533 4.674 -0.141 19444 4566 1 18 . 1 1 101 101 MET CA C 101 53.583 53.583 54.676 -1.093 19444 4567 1 18 . 1 1 101 101 MET CB C 101 33.400 33.400 33.102 0.298 19444 4568 1 18 . 1 1 101 101 MET H H 101 8.761 8.761 8.427 0.334 19444 4569 1 18 . 1 1 102 102 SER N N 102 116.261 116.261 117.970 -1.709 19444 4570 1 18 . 1 1 102 102 SER HA H 102 4.191 4.191 3.832 0.359 19444 4571 1 18 . 1 1 102 102 SER CA C 102 58.655 58.655 58.312 0.343 19444 4572 1 18 . 1 1 102 102 SER CB C 102 64.764 64.764 64.646 0.118 19444 4573 1 18 . 1 1 102 102 SER H H 102 8.212 8.212 7.868 0.344 19444 4574 1 18 . 1 1 103 103 ASP N N 103 121.700 121.700 124.582 -2.882 19444 4575 1 18 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.153 -0.340 19444 4576 1 18 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.176 0.292 19444 4577 1 18 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.423 -1.639 19444 4578 1 18 . 1 1 103 103 ASP H H 103 8.791 8.791 8.753 0.038 19444 4579 1 18 . 1 1 104 104 LYS N N 104 116.308 116.308 119.577 -3.269 19444 4580 1 18 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.229 -0.448 19444 4581 1 18 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.048 0.791 19444 4582 1 18 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.878 0.294 19444 4583 1 18 . 1 1 104 104 LYS H H 104 7.886 7.886 7.735 0.151 19444 4584 1 18 . 1 1 105 105 ALA N N 105 122.364 122.364 122.311 0.053 19444 4585 1 18 . 1 1 105 105 ALA HA H 105 3.960 3.960 3.929 0.031 19444 4586 1 18 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.674 0.364 19444 4587 1 18 . 1 1 105 105 ALA CB C 105 17.941 17.941 17.768 0.173 19444 4588 1 18 . 1 1 105 105 ALA H H 105 7.343 7.343 7.427 -0.084 19444 4589 1 18 . 1 1 106 106 ILE N N 106 119.713 119.713 119.331 0.382 19444 4590 1 18 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.561 -0.083 19444 4591 1 18 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.609 0.589 19444 4592 1 18 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.614 -0.091 19444 4593 1 18 . 1 1 106 106 ILE H H 106 8.124 8.124 7.954 0.170 19444 4594 1 18 . 1 1 107 107 PHE N N 107 117.557 117.557 118.651 -1.094 19444 4595 1 18 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.576 -0.130 19444 4596 1 18 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.836 -2.909 19444 4597 1 18 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.082 -0.818 19444 4598 1 18 . 1 1 107 107 PHE H H 107 8.448 8.448 8.126 0.322 19444 4599 1 18 . 1 1 108 108 ARG N N 108 117.407 117.407 118.688 -1.281 19444 4600 1 18 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.142 -0.059 19444 4601 1 18 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.894 -0.265 19444 4602 1 18 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.176 0.284 19444 4603 1 18 . 1 1 108 108 ARG H H 108 7.568 7.568 8.355 -0.787 19444 4604 1 18 . 1 1 109 109 ARG N N 109 117.561 117.561 116.999 0.562 19444 4605 1 18 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.148 -0.150 19444 4606 1 18 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.018 -0.463 19444 4607 1 18 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.592 -0.005 19444 4608 1 18 . 1 1 109 109 ARG H H 109 7.281 7.281 7.744 -0.463 19444 4609 1 18 . 1 1 110 110 TYR N N 110 116.115 116.115 117.789 -1.674 19444 4610 1 18 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.064 0.265 19444 4611 1 18 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.343 -0.841 19444 4612 1 18 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.544 -1.055 19444 4613 1 18 . 1 1 110 110 TYR H H 110 8.877 8.877 8.240 0.637 19444 4614 1 18 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.663 -0.184 19444 4615 1 18 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.266 0.527 19444 4616 1 18 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.182 -0.511 19444 4617 1 18 . 1 1 112 112 HIS N N 112 116.277 116.277 115.064 1.213 19444 4618 1 18 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.482 -0.050 19444 4619 1 18 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.166 1.308 19444 4620 1 18 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.831 0.990 19444 4621 1 18 . 1 1 112 112 HIS H H 112 8.300 8.300 8.516 -0.216 19444 4622 1 18 . 1 1 113 113 LEU N N 113 120.770 120.770 119.313 1.457 19444 4623 1 18 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.132 -0.031 19444 4624 1 18 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.472 -1.269 19444 4625 1 18 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.627 1.250 19444 4626 1 18 . 1 1 113 113 LEU H H 113 7.518 7.518 7.200 0.318 19444 4627 1 19 . 1 1 59 59 ALA N N 59 123.352 123.352 124.654 -1.302 19444 4628 1 19 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.594 -0.310 19444 4629 1 19 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.050 0.246 19444 4630 1 19 . 1 1 59 59 ALA CB C 59 19.633 19.633 21.106 -1.473 19444 4631 1 19 . 1 1 59 59 ALA H H 59 7.997 7.997 8.296 -0.299 19444 4632 1 19 . 1 1 60 60 LEU N N 60 120.985 120.985 121.349 -0.364 19444 4633 1 19 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.588 -0.135 19444 4634 1 19 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.399 -0.112 19444 4635 1 19 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.831 -0.576 19444 4636 1 19 . 1 1 60 60 LEU H H 60 8.169 8.169 8.297 -0.128 19444 4637 1 19 . 1 1 61 61 ALA N N 61 125.303 125.303 128.100 -2.797 19444 4638 1 19 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.541 -0.044 19444 4639 1 19 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.008 0.219 19444 4640 1 19 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.136 0.041 19444 4641 1 19 . 1 1 61 61 ALA H H 61 8.445 8.445 8.249 0.196 19444 4642 1 19 . 1 1 62 62 ALA N N 62 127.804 127.804 126.504 1.300 19444 4643 1 19 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.673 -0.357 19444 4644 1 19 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.132 0.877 19444 4645 1 19 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.930 -0.945 19444 4646 1 19 . 1 1 62 62 ALA H H 62 8.583 8.583 9.055 -0.472 19444 4647 1 19 . 1 1 63 63 LEU N N 63 120.096 120.096 121.861 -1.765 19444 4648 1 19 . 1 1 63 63 LEU HA H 63 4.884 4.884 5.007 -0.123 19444 4649 1 19 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.814 -0.922 19444 4650 1 19 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.282 -1.150 19444 4651 1 19 . 1 1 63 63 LEU H H 63 8.077 8.077 8.313 -0.236 19444 4652 1 19 . 1 1 64 64 HIS N N 64 122.245 122.245 118.974 3.271 19444 4653 1 19 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.588 -0.348 19444 4654 1 19 . 1 1 64 64 HIS CA C 64 58.026 58.026 57.094 0.932 19444 4655 1 19 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.443 -0.105 19444 4656 1 19 . 1 1 64 64 HIS H H 64 8.629 8.629 8.744 -0.115 19444 4657 1 19 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.354 -0.004 19444 4658 1 19 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.894 0.455 19444 4659 1 19 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.741 -0.023 19444 4660 1 19 . 1 1 66 66 ASP N N 66 115.211 115.211 115.732 -0.521 19444 4661 1 19 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.775 -0.086 19444 4662 1 19 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.471 -0.949 19444 4663 1 19 . 1 1 66 66 ASP CB C 66 42.751 42.751 44.165 -1.414 19444 4664 1 19 . 1 1 66 66 ASP H H 66 7.869 7.869 7.891 -0.022 19444 4665 1 19 . 1 1 67 67 GLY N N 67 105.349 105.349 108.858 -3.509 19444 4666 1 19 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.005 0.261 19444 4667 1 19 . 1 1 67 67 GLY H H 67 8.441 8.441 8.386 0.055 19444 4668 1 19 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.243 -0.124 19444 4669 1 19 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.994 -0.790 19444 4670 1 19 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.611 -0.090 19444 4671 1 19 . 1 1 69 69 HIS N N 69 116.893 116.893 115.400 1.493 19444 4672 1 19 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.717 -0.032 19444 4673 1 19 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.657 0.329 19444 4674 1 19 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.320 0.157 19444 4675 1 19 . 1 1 69 69 HIS H H 69 8.503 8.503 8.142 0.361 19444 4676 1 19 . 1 1 70 70 ALA N N 70 120.705 120.705 121.974 -1.269 19444 4677 1 19 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.089 -0.522 19444 4678 1 19 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.712 0.066 19444 4679 1 19 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.321 -0.121 19444 4680 1 19 . 1 1 70 70 ALA H H 70 6.892 6.892 7.480 -0.588 19444 4681 1 19 . 1 1 71 71 GLY N N 71 109.407 109.407 113.737 -4.330 19444 4682 1 19 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.009 0.337 19444 4683 1 19 . 1 1 71 71 GLY H H 71 9.144 9.144 9.029 0.115 19444 4684 1 19 . 1 1 72 72 LEU N N 72 119.969 119.969 121.872 -1.903 19444 4685 1 19 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.751 0.109 19444 4686 1 19 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.538 -0.462 19444 4687 1 19 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.730 -0.266 19444 4688 1 19 . 1 1 72 72 LEU H H 72 8.255 8.255 8.194 0.061 19444 4689 1 19 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.636 0.202 19444 4690 1 19 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.810 -1.300 19444 4691 1 19 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.142 -0.735 19444 4692 1 19 . 1 1 74 74 VAL N N 74 121.438 121.438 120.699 0.739 19444 4693 1 19 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.884 -0.395 19444 4694 1 19 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.096 1.557 19444 4695 1 19 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.132 -0.808 19444 4696 1 19 . 1 1 74 74 VAL H H 74 7.729 7.729 8.309 -0.580 19444 4697 1 19 . 1 1 75 75 THR N N 75 108.826 108.826 110.695 -1.869 19444 4698 1 19 . 1 1 75 75 THR HA H 75 5.015 5.015 4.553 0.462 19444 4699 1 19 . 1 1 75 75 THR CA C 75 59.822 59.822 59.459 0.363 19444 4700 1 19 . 1 1 75 75 THR CB C 75 74.087 74.087 71.698 2.389 19444 4701 1 19 . 1 1 75 75 THR H H 75 8.763 8.763 8.252 0.511 19444 4702 1 19 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.800 0.130 19444 4703 1 19 . 1 1 77 77 SER N N 77 114.493 114.493 115.041 -0.548 19444 4704 1 19 . 1 1 77 77 SER HA H 77 4.133 4.133 4.066 0.067 19444 4705 1 19 . 1 1 77 77 SER CA C 77 60.600 60.600 62.101 -1.501 19444 4706 1 19 . 1 1 77 77 SER CB C 77 62.378 62.378 62.759 -0.381 19444 4707 1 19 . 1 1 77 77 SER H H 77 8.231 8.231 8.360 -0.129 19444 4708 1 19 . 1 1 78 78 ASP N N 78 120.698 120.698 122.538 -1.840 19444 4709 1 19 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.304 0.104 19444 4710 1 19 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.441 0.638 19444 4711 1 19 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.394 2.940 19444 4712 1 19 . 1 1 78 78 ASP H H 78 7.388 7.388 8.048 -0.660 19444 4713 1 19 . 1 1 79 79 ALA N N 79 120.570 120.570 122.639 -2.069 19444 4714 1 19 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.839 -0.115 19444 4715 1 19 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.115 -0.214 19444 4716 1 19 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.233 1.513 19444 4717 1 19 . 1 1 79 79 ALA H H 79 7.873 7.873 8.236 -0.363 19444 4718 1 19 . 1 1 80 80 ARG N N 80 116.347 116.347 118.847 -2.500 19444 4719 1 19 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.982 -0.174 19444 4720 1 19 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.645 1.923 19444 4721 1 19 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.285 0.146 19444 4722 1 19 . 1 1 80 80 ARG H H 80 8.117 8.117 8.048 0.069 19444 4723 1 19 . 1 1 81 81 VAL N N 81 119.158 119.158 120.016 -0.858 19444 4724 1 19 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.871 -0.203 19444 4725 1 19 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.941 -0.028 19444 4726 1 19 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.743 0.029 19444 4727 1 19 . 1 1 81 81 VAL H H 81 7.373 7.373 8.284 -0.911 19444 4728 1 19 . 1 1 82 82 LEU N N 82 118.515 118.515 121.915 -3.400 19444 4729 1 19 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.873 0.239 19444 4730 1 19 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.739 -0.484 19444 4731 1 19 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.931 -0.427 19444 4732 1 19 . 1 1 82 82 LEU H H 82 7.589 7.589 8.280 -0.691 19444 4733 1 19 . 1 1 83 83 ILE N N 83 121.181 121.181 119.210 1.971 19444 4734 1 19 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.690 0.084 19444 4735 1 19 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.764 0.067 19444 4736 1 19 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.996 0.592 19444 4737 1 19 . 1 1 83 83 ILE H H 83 8.755 8.755 8.223 0.532 19444 4738 1 19 . 1 1 84 84 PHE N N 84 123.192 123.192 120.365 2.827 19444 4739 1 19 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.098 0.064 19444 4740 1 19 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.100 0.556 19444 4741 1 19 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.214 -0.150 19444 4742 1 19 . 1 1 84 84 PHE H H 84 8.683 8.683 8.566 0.117 19444 4743 1 19 . 1 1 85 85 ASN N N 85 118.056 118.056 118.534 -0.478 19444 4744 1 19 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.484 -0.019 19444 4745 1 19 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.279 -0.132 19444 4746 1 19 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.713 -0.810 19444 4747 1 19 . 1 1 85 85 ASN H H 85 8.892 8.892 8.666 0.226 19444 4748 1 19 . 1 1 86 86 ASP N N 86 120.374 120.374 122.021 -1.647 19444 4749 1 19 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.350 0.102 19444 4750 1 19 . 1 1 86 86 ASP CA C 86 57.297 57.297 58.170 -0.873 19444 4751 1 19 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.947 1.319 19444 4752 1 19 . 1 1 86 86 ASP H H 86 8.146 8.146 8.347 -0.201 19444 4753 1 19 . 1 1 87 87 TRP N N 87 121.401 121.401 121.500 -0.099 19444 4754 1 19 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.129 -0.172 19444 4755 1 19 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.905 -0.118 19444 4756 1 19 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.581 -1.635 19444 4757 1 19 . 1 1 87 87 TRP H H 87 8.121 8.121 8.418 -0.297 19444 4758 1 19 . 1 1 88 88 GLU N N 88 117.779 117.779 118.305 -0.526 19444 4759 1 19 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.169 -0.223 19444 4760 1 19 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.711 -0.041 19444 4761 1 19 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.850 0.690 19444 4762 1 19 . 1 1 88 88 GLU H H 88 8.613 8.613 8.460 0.153 19444 4763 1 19 . 1 1 89 89 GLU N N 89 116.209 116.209 119.240 -3.031 19444 4764 1 19 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.930 0.071 19444 4765 1 19 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.166 -0.676 19444 4766 1 19 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.440 0.448 19444 4767 1 19 . 1 1 89 89 GLU H H 89 7.456 7.456 7.861 -0.405 19444 4768 1 19 . 1 1 90 90 ARG N N 90 119.957 119.957 118.050 1.907 19444 4769 1 19 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.964 -0.011 19444 4770 1 19 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.863 -0.286 19444 4771 1 19 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.030 1.701 19444 4772 1 19 . 1 1 90 90 ARG H H 90 8.134 8.134 8.208 -0.074 19444 4773 1 19 . 1 1 91 91 LYS N N 91 118.871 118.871 120.130 -1.259 19444 4774 1 19 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.106 -0.434 19444 4775 1 19 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.055 -0.345 19444 4776 1 19 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.571 -1.066 19444 4777 1 19 . 1 1 91 91 LYS H H 91 8.325 8.325 8.131 0.194 19444 4778 1 19 . 1 1 92 92 ARG N N 92 117.453 117.453 118.635 -1.182 19444 4779 1 19 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.950 -0.075 19444 4780 1 19 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.465 0.416 19444 4781 1 19 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.004 -0.219 19444 4782 1 19 . 1 1 92 92 ARG H H 92 7.069 7.069 7.825 -0.756 19444 4783 1 19 . 1 1 93 93 SER N N 93 110.842 110.842 113.946 -3.104 19444 4784 1 19 . 1 1 93 93 SER HA H 93 4.513 4.513 4.224 0.289 19444 4785 1 19 . 1 1 93 93 SER CA C 93 58.762 58.762 60.288 -1.526 19444 4786 1 19 . 1 1 93 93 SER CB C 93 64.164 64.164 63.774 0.390 19444 4787 1 19 . 1 1 93 93 SER H H 93 7.427 7.427 7.800 -0.373 19444 4788 1 19 . 1 1 94 94 GLU N N 94 121.732 121.732 119.242 2.490 19444 4789 1 19 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.079 -0.402 19444 4790 1 19 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.663 0.223 19444 4791 1 19 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.464 -0.410 19444 4792 1 19 . 1 1 94 94 GLU H H 94 7.629 7.629 7.819 -0.190 19444 4793 1 19 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.397 -0.089 19444 4794 1 19 . 1 1 95 95 PRO CA C 95 64.631 64.631 63.626 1.005 19444 4795 1 19 . 1 1 95 95 PRO CB C 95 31.484 31.484 32.018 -0.534 19444 4796 1 19 . 1 1 96 96 TRP N N 96 115.321 115.321 116.396 -1.075 19444 4797 1 19 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.737 -0.082 19444 4798 1 19 . 1 1 96 96 TRP CA C 96 56.766 56.766 55.002 1.764 19444 4799 1 19 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.275 -0.259 19444 4800 1 19 . 1 1 96 96 TRP H H 96 6.840 6.840 6.669 0.171 19444 4801 1 19 . 1 1 97 97 LEU N N 97 125.159 125.159 123.923 1.236 19444 4802 1 19 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.465 -0.288 19444 4803 1 19 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.425 1.674 19444 4804 1 19 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.482 0.746 19444 4805 1 19 . 1 1 97 97 LEU H H 97 7.287 7.287 7.242 0.045 19444 4806 1 19 . 1 1 98 98 ARG N N 98 128.515 128.515 127.829 0.686 19444 4807 1 19 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.612 -0.024 19444 4808 1 19 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.447 -0.357 19444 4809 1 19 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.278 0.058 19444 4810 1 19 . 1 1 98 98 ARG H H 98 8.898 8.898 8.623 0.275 19444 4811 1 19 . 1 1 99 99 LEU N N 99 127.834 127.834 122.933 4.901 19444 4812 1 19 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.309 -0.713 19444 4813 1 19 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.162 0.416 19444 4814 1 19 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.673 -2.499 19444 4815 1 19 . 1 1 99 99 LEU H H 99 8.362 8.362 8.272 0.090 19444 4816 1 19 . 1 1 100 100 ASP N N 100 127.038 127.038 127.293 -0.255 19444 4817 1 19 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.851 -0.139 19444 4818 1 19 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.201 -1.187 19444 4819 1 19 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.779 -1.381 19444 4820 1 19 . 1 1 100 100 ASP H H 100 7.998 7.998 8.646 -0.648 19444 4821 1 19 . 1 1 101 101 MET N N 101 122.551 122.551 116.749 5.802 19444 4822 1 19 . 1 1 101 101 MET HA H 101 4.533 4.533 4.675 -0.142 19444 4823 1 19 . 1 1 101 101 MET CA C 101 53.583 53.583 54.415 -0.832 19444 4824 1 19 . 1 1 101 101 MET CB C 101 33.400 33.400 33.574 -0.174 19444 4825 1 19 . 1 1 101 101 MET H H 101 8.761 8.761 8.125 0.636 19444 4826 1 19 . 1 1 102 102 SER N N 102 116.261 116.261 115.965 0.296 19444 4827 1 19 . 1 1 102 102 SER HA H 102 4.191 4.191 4.219 -0.028 19444 4828 1 19 . 1 1 102 102 SER CA C 102 58.655 58.655 57.805 0.850 19444 4829 1 19 . 1 1 102 102 SER CB C 102 64.764 64.764 65.759 -0.995 19444 4830 1 19 . 1 1 102 102 SER H H 102 8.212 8.212 7.732 0.480 19444 4831 1 19 . 1 1 103 103 ASP N N 103 121.700 121.700 120.764 0.936 19444 4832 1 19 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.987 -0.174 19444 4833 1 19 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.456 0.011 19444 4834 1 19 . 1 1 103 103 ASP CB C 103 38.784 38.784 39.823 -1.039 19444 4835 1 19 . 1 1 103 103 ASP H H 103 8.791 8.791 8.922 -0.131 19444 4836 1 19 . 1 1 104 104 LYS N N 104 116.308 116.308 119.746 -3.438 19444 4837 1 19 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.144 -0.363 19444 4838 1 19 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.582 1.257 19444 4839 1 19 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.448 0.724 19444 4840 1 19 . 1 1 104 104 LYS H H 104 7.886 7.886 7.990 -0.104 19444 4841 1 19 . 1 1 105 105 ALA N N 105 122.364 122.364 122.389 -0.025 19444 4842 1 19 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.172 -0.212 19444 4843 1 19 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.946 0.092 19444 4844 1 19 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.016 -0.075 19444 4845 1 19 . 1 1 105 105 ALA H H 105 7.343 7.343 7.725 -0.382 19444 4846 1 19 . 1 1 106 106 ILE N N 106 119.713 119.713 119.311 0.402 19444 4847 1 19 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.655 -0.177 19444 4848 1 19 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.785 0.413 19444 4849 1 19 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.760 -0.236 19444 4850 1 19 . 1 1 106 106 ILE H H 106 8.124 8.124 8.376 -0.252 19444 4851 1 19 . 1 1 107 107 PHE N N 107 117.557 117.557 118.931 -1.374 19444 4852 1 19 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.586 -0.140 19444 4853 1 19 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.524 -2.597 19444 4854 1 19 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.995 -0.731 19444 4855 1 19 . 1 1 107 107 PHE H H 107 8.448 8.448 8.090 0.358 19444 4856 1 19 . 1 1 108 108 ARG N N 108 117.407 117.407 118.523 -1.116 19444 4857 1 19 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.237 -0.154 19444 4858 1 19 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.216 0.413 19444 4859 1 19 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.936 0.524 19444 4860 1 19 . 1 1 108 108 ARG H H 108 7.568 7.568 8.324 -0.756 19444 4861 1 19 . 1 1 109 109 ARG N N 109 117.561 117.561 117.041 0.520 19444 4862 1 19 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.134 -0.136 19444 4863 1 19 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.310 -0.755 19444 4864 1 19 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.376 0.211 19444 4865 1 19 . 1 1 109 109 ARG H H 109 7.281 7.281 8.040 -0.759 19444 4866 1 19 . 1 1 110 110 TYR N N 110 116.115 116.115 117.006 -0.891 19444 4867 1 19 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.083 0.245 19444 4868 1 19 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.297 -0.795 19444 4869 1 19 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.618 -1.129 19444 4870 1 19 . 1 1 110 110 TYR H H 110 8.877 8.877 8.291 0.586 19444 4871 1 19 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.668 -0.189 19444 4872 1 19 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.276 0.517 19444 4873 1 19 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.217 -0.546 19444 4874 1 19 . 1 1 112 112 HIS N N 112 116.277 116.277 115.249 1.028 19444 4875 1 19 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.496 -0.064 19444 4876 1 19 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.249 1.225 19444 4877 1 19 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.869 0.952 19444 4878 1 19 . 1 1 112 112 HIS H H 112 8.300 8.300 8.596 -0.296 19444 4879 1 19 . 1 1 113 113 LEU N N 113 120.770 120.770 119.678 1.092 19444 4880 1 19 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.281 -0.180 19444 4881 1 19 . 1 1 113 113 LEU CA C 113 54.203 54.203 54.897 -0.694 19444 4882 1 19 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.670 1.207 19444 4883 1 19 . 1 1 113 113 LEU H H 113 7.518 7.518 7.301 0.217 19444 4884 1 20 . 1 1 59 59 ALA N N 59 123.352 123.352 122.285 1.067 19444 4885 1 20 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.700 -0.416 19444 4886 1 20 . 1 1 59 59 ALA CA C 59 52.296 52.296 51.841 0.455 19444 4887 1 20 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.963 -1.330 19444 4888 1 20 . 1 1 59 59 ALA H H 59 7.997 7.997 8.056 -0.059 19444 4889 1 20 . 1 1 60 60 LEU N N 60 120.985 120.985 120.896 0.089 19444 4890 1 20 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.520 -0.067 19444 4891 1 20 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.281 0.007 19444 4892 1 20 . 1 1 60 60 LEU CB C 60 43.255 43.255 44.013 -0.758 19444 4893 1 20 . 1 1 60 60 LEU H H 60 8.169 8.169 8.294 -0.125 19444 4894 1 20 . 1 1 61 61 ALA N N 61 125.303 125.303 125.514 -0.211 19444 4895 1 20 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.465 0.032 19444 4896 1 20 . 1 1 61 61 ALA CA C 61 51.227 51.227 51.055 0.172 19444 4897 1 20 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.194 -0.018 19444 4898 1 20 . 1 1 61 61 ALA H H 61 8.445 8.445 8.171 0.274 19444 4899 1 20 . 1 1 62 62 ALA N N 62 127.804 127.804 125.814 1.990 19444 4900 1 20 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.685 -0.369 19444 4901 1 20 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.163 0.846 19444 4902 1 20 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.882 -0.897 19444 4903 1 20 . 1 1 62 62 ALA H H 62 8.583 8.583 9.039 -0.456 19444 4904 1 20 . 1 1 63 63 LEU N N 63 120.096 120.096 121.961 -1.865 19444 4905 1 20 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.994 -0.110 19444 4906 1 20 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.805 -0.913 19444 4907 1 20 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.250 -1.118 19444 4908 1 20 . 1 1 63 63 LEU H H 63 8.077 8.077 8.329 -0.252 19444 4909 1 20 . 1 1 64 64 HIS N N 64 122.245 122.245 118.755 3.490 19444 4910 1 20 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.598 -0.358 19444 4911 1 20 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.876 1.150 19444 4912 1 20 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.727 -0.390 19444 4913 1 20 . 1 1 64 64 HIS H H 64 8.629 8.629 8.680 -0.051 19444 4914 1 20 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.337 0.013 19444 4915 1 20 . 1 1 65 65 ALA CA C 65 53.349 53.349 52.986 0.363 19444 4916 1 20 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.580 0.138 19444 4917 1 20 . 1 1 66 66 ASP N N 66 115.211 115.211 115.056 0.155 19444 4918 1 20 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.673 0.016 19444 4919 1 20 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.077 -0.555 19444 4920 1 20 . 1 1 66 66 ASP CB C 66 42.751 42.751 42.934 -0.183 19444 4921 1 20 . 1 1 66 66 ASP H H 66 7.869 7.869 7.907 -0.038 19444 4922 1 20 . 1 1 67 67 GLY N N 67 105.349 105.349 108.388 -3.039 19444 4923 1 20 . 1 1 67 67 GLY CA C 67 45.266 45.266 44.867 0.399 19444 4924 1 20 . 1 1 67 67 GLY H H 67 8.441 8.441 8.489 -0.048 19444 4925 1 20 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.254 -0.135 19444 4926 1 20 . 1 1 68 68 PRO CA C 68 64.204 64.204 64.997 -0.793 19444 4927 1 20 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.626 -0.105 19444 4928 1 20 . 1 1 69 69 HIS N N 69 116.893 116.893 115.442 1.451 19444 4929 1 20 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.733 -0.048 19444 4930 1 20 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.614 0.372 19444 4931 1 20 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.285 0.192 19444 4932 1 20 . 1 1 69 69 HIS H H 69 8.503 8.503 8.129 0.374 19444 4933 1 20 . 1 1 70 70 ALA N N 70 120.705 120.705 121.985 -1.280 19444 4934 1 20 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.098 -0.531 19444 4935 1 20 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.705 0.074 19444 4936 1 20 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.306 -0.106 19444 4937 1 20 . 1 1 70 70 ALA H H 70 6.892 6.892 7.506 -0.614 19444 4938 1 20 . 1 1 71 71 GLY N N 71 109.407 109.407 112.536 -3.129 19444 4939 1 20 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.018 0.328 19444 4940 1 20 . 1 1 71 71 GLY H H 71 9.144 9.144 8.959 0.185 19444 4941 1 20 . 1 1 72 72 LEU N N 72 119.969 119.969 122.763 -2.794 19444 4942 1 20 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.713 0.147 19444 4943 1 20 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.115 -0.039 19444 4944 1 20 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.601 -0.137 19444 4945 1 20 . 1 1 72 72 LEU H H 72 8.255 8.255 8.221 0.034 19444 4946 1 20 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.653 0.185 19444 4947 1 20 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.769 -1.259 19444 4948 1 20 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.175 -0.768 19444 4949 1 20 . 1 1 74 74 VAL N N 74 121.438 121.438 120.637 0.801 19444 4950 1 20 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.871 -0.382 19444 4951 1 20 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.201 1.452 19444 4952 1 20 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.108 -0.785 19444 4953 1 20 . 1 1 74 74 VAL H H 74 7.729 7.729 8.160 -0.431 19444 4954 1 20 . 1 1 75 75 THR N N 75 108.826 108.826 109.641 -0.815 19444 4955 1 20 . 1 1 75 75 THR HA H 75 5.015 5.015 4.583 0.432 19444 4956 1 20 . 1 1 75 75 THR CA C 75 59.822 59.822 59.230 0.592 19444 4957 1 20 . 1 1 75 75 THR CB C 75 74.087 74.087 71.803 2.284 19444 4958 1 20 . 1 1 75 75 THR H H 75 8.763 8.763 7.948 0.815 19444 4959 1 20 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.656 0.274 19444 4960 1 20 . 1 1 77 77 SER N N 77 114.493 114.493 114.425 0.068 19444 4961 1 20 . 1 1 77 77 SER HA H 77 4.133 4.133 4.041 0.092 19444 4962 1 20 . 1 1 77 77 SER CA C 77 60.600 60.600 61.748 -1.148 19444 4963 1 20 . 1 1 77 77 SER CB C 77 62.378 62.378 62.808 -0.430 19444 4964 1 20 . 1 1 77 77 SER H H 77 8.231 8.231 8.340 -0.109 19444 4965 1 20 . 1 1 78 78 ASP N N 78 120.698 120.698 122.412 -1.714 19444 4966 1 20 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.332 0.076 19444 4967 1 20 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.254 0.825 19444 4968 1 20 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.434 2.900 19444 4969 1 20 . 1 1 78 78 ASP H H 78 7.388 7.388 8.008 -0.620 19444 4970 1 20 . 1 1 79 79 ALA N N 79 120.570 120.570 122.662 -2.092 19444 4971 1 20 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.783 -0.059 19444 4972 1 20 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.043 -0.142 19444 4973 1 20 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.157 1.589 19444 4974 1 20 . 1 1 79 79 ALA H H 79 7.873 7.873 8.291 -0.418 19444 4975 1 20 . 1 1 80 80 ARG N N 80 116.347 116.347 118.778 -2.431 19444 4976 1 20 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.920 -0.112 19444 4977 1 20 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.620 1.947 19444 4978 1 20 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.270 0.161 19444 4979 1 20 . 1 1 80 80 ARG H H 80 8.117 8.117 8.094 0.023 19444 4980 1 20 . 1 1 81 81 VAL N N 81 119.158 119.158 120.095 -0.937 19444 4981 1 20 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.887 -0.219 19444 4982 1 20 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.596 0.318 19444 4983 1 20 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.724 0.048 19444 4984 1 20 . 1 1 81 81 VAL H H 81 7.373 7.373 8.077 -0.704 19444 4985 1 20 . 1 1 82 82 LEU N N 82 118.515 118.515 121.762 -3.247 19444 4986 1 20 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.872 0.240 19444 4987 1 20 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.635 -0.380 19444 4988 1 20 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.914 -0.410 19444 4989 1 20 . 1 1 82 82 LEU H H 82 7.589 7.589 8.267 -0.678 19444 4990 1 20 . 1 1 83 83 ILE N N 83 121.181 121.181 119.422 1.759 19444 4991 1 20 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.681 0.093 19444 4992 1 20 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.832 -0.001 19444 4993 1 20 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.972 0.616 19444 4994 1 20 . 1 1 83 83 ILE H H 83 8.755 8.755 8.256 0.499 19444 4995 1 20 . 1 1 84 84 PHE N N 84 123.192 123.192 120.064 3.128 19444 4996 1 20 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.109 0.053 19444 4997 1 20 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.283 0.373 19444 4998 1 20 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.101 -0.037 19444 4999 1 20 . 1 1 84 84 PHE H H 84 8.683 8.683 8.605 0.078 19444 5000 1 20 . 1 1 85 85 ASN N N 85 118.056 118.056 117.767 0.289 19444 5001 1 20 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.261 0.204 19444 5002 1 20 . 1 1 85 85 ASN CA C 85 56.147 56.147 57.088 -0.941 19444 5003 1 20 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.244 -0.341 19444 5004 1 20 . 1 1 85 85 ASN H H 85 8.892 8.892 8.455 0.437 19444 5005 1 20 . 1 1 86 86 ASP N N 86 120.374 120.374 121.707 -1.333 19444 5006 1 20 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.434 0.019 19444 5007 1 20 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.967 -0.670 19444 5008 1 20 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.932 1.335 19444 5009 1 20 . 1 1 86 86 ASP H H 86 8.146 8.146 8.453 -0.307 19444 5010 1 20 . 1 1 87 87 TRP N N 87 121.401 121.401 122.020 -0.619 19444 5011 1 20 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.129 -0.172 19444 5012 1 20 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.794 -0.007 19444 5013 1 20 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.565 -1.619 19444 5014 1 20 . 1 1 87 87 TRP H H 87 8.121 8.121 8.628 -0.507 19444 5015 1 20 . 1 1 88 88 GLU N N 88 117.779 117.779 118.631 -0.852 19444 5016 1 20 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.005 -0.059 19444 5017 1 20 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.545 0.125 19444 5018 1 20 . 1 1 88 88 GLU CB C 88 29.540 29.540 29.056 0.484 19444 5019 1 20 . 1 1 88 88 GLU H H 88 8.613 8.613 8.514 0.099 19444 5020 1 20 . 1 1 89 89 GLU N N 89 116.209 116.209 119.638 -3.429 19444 5021 1 20 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.882 0.119 19444 5022 1 20 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.485 -0.995 19444 5023 1 20 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.510 0.378 19444 5024 1 20 . 1 1 89 89 GLU H H 89 7.456 7.456 7.985 -0.529 19444 5025 1 20 . 1 1 90 90 ARG N N 90 119.957 119.957 117.874 2.083 19444 5026 1 20 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.935 0.018 19444 5027 1 20 . 1 1 90 90 ARG CA C 90 58.577 58.577 59.086 -0.509 19444 5028 1 20 . 1 1 90 90 ARG CB C 90 31.731 31.731 30.203 1.528 19444 5029 1 20 . 1 1 90 90 ARG H H 90 8.134 8.134 7.999 0.135 19444 5030 1 20 . 1 1 91 91 LYS N N 91 118.871 118.871 120.425 -1.554 19444 5031 1 20 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.187 -0.515 19444 5032 1 20 . 1 1 91 91 LYS CA C 91 57.710 57.710 57.841 -0.131 19444 5033 1 20 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.613 -1.107 19444 5034 1 20 . 1 1 91 91 LYS H H 91 8.325 8.325 8.071 0.254 19444 5035 1 20 . 1 1 92 92 ARG N N 92 117.453 117.453 118.787 -1.334 19444 5036 1 20 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.939 -0.064 19444 5037 1 20 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.567 0.314 19444 5038 1 20 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.006 -0.221 19444 5039 1 20 . 1 1 92 92 ARG H H 92 7.069 7.069 7.966 -0.897 19444 5040 1 20 . 1 1 93 93 SER N N 93 110.842 110.842 114.388 -3.546 19444 5041 1 20 . 1 1 93 93 SER HA H 93 4.513 4.513 4.274 0.239 19444 5042 1 20 . 1 1 93 93 SER CA C 93 58.762 58.762 60.726 -1.964 19444 5043 1 20 . 1 1 93 93 SER CB C 93 64.164 64.164 64.006 0.158 19444 5044 1 20 . 1 1 93 93 SER H H 93 7.427 7.427 7.675 -0.248 19444 5045 1 20 . 1 1 94 94 GLU N N 94 121.732 121.732 119.421 2.311 19444 5046 1 20 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.151 -0.474 19444 5047 1 20 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.717 0.169 19444 5048 1 20 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.194 -0.140 19444 5049 1 20 . 1 1 94 94 GLU H H 94 7.629 7.629 7.828 -0.199 19444 5050 1 20 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.445 -0.137 19444 5051 1 20 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.159 0.472 19444 5052 1 20 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.967 -0.483 19444 5053 1 20 . 1 1 96 96 TRP N N 96 115.321 115.321 116.840 -1.519 19444 5054 1 20 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.809 -0.154 19444 5055 1 20 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.419 2.347 19444 5056 1 20 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.201 -0.185 19444 5057 1 20 . 1 1 96 96 TRP H H 96 6.840 6.840 6.728 0.112 19444 5058 1 20 . 1 1 97 97 LEU N N 97 125.159 125.159 123.505 1.654 19444 5059 1 20 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.535 -0.358 19444 5060 1 20 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.465 1.634 19444 5061 1 20 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.746 0.482 19444 5062 1 20 . 1 1 97 97 LEU H H 97 7.287 7.287 7.098 0.189 19444 5063 1 20 . 1 1 98 98 ARG N N 98 128.515 128.515 126.682 1.833 19444 5064 1 20 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.626 -0.038 19444 5065 1 20 . 1 1 98 98 ARG CA C 98 55.090 55.090 56.125 -1.035 19444 5066 1 20 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.261 0.075 19444 5067 1 20 . 1 1 98 98 ARG H H 98 8.898 8.898 8.649 0.249 19444 5068 1 20 . 1 1 99 99 LEU N N 99 127.834 127.834 123.172 4.662 19444 5069 1 20 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.443 -0.847 19444 5070 1 20 . 1 1 99 99 LEU CA C 99 54.578 54.578 54.123 0.455 19444 5071 1 20 . 1 1 99 99 LEU CB C 99 40.174 40.174 43.515 -3.341 19444 5072 1 20 . 1 1 99 99 LEU H H 99 8.362 8.362 8.572 -0.210 19444 5073 1 20 . 1 1 100 100 ASP N N 100 127.038 127.038 127.786 -0.748 19444 5074 1 20 . 1 1 100 100 ASP HA H 100 4.712 4.712 5.086 -0.374 19444 5075 1 20 . 1 1 100 100 ASP CA C 100 53.014 53.014 53.735 -0.721 19444 5076 1 20 . 1 1 100 100 ASP CB C 100 41.398 41.398 41.512 -0.114 19444 5077 1 20 . 1 1 100 100 ASP H H 100 7.998 7.998 8.599 -0.601 19444 5078 1 20 . 1 1 101 101 MET N N 101 122.551 122.551 117.560 4.991 19444 5079 1 20 . 1 1 101 101 MET HA H 101 4.533 4.533 4.701 -0.168 19444 5080 1 20 . 1 1 101 101 MET CA C 101 53.583 53.583 54.463 -0.880 19444 5081 1 20 . 1 1 101 101 MET CB C 101 33.400 33.400 33.844 -0.444 19444 5082 1 20 . 1 1 101 101 MET H H 101 8.761 8.761 8.020 0.741 19444 5083 1 20 . 1 1 102 102 SER N N 102 116.261 116.261 115.951 0.310 19444 5084 1 20 . 1 1 102 102 SER HA H 102 4.191 4.191 3.769 0.422 19444 5085 1 20 . 1 1 102 102 SER CA C 102 58.655 58.655 57.462 1.193 19444 5086 1 20 . 1 1 102 102 SER CB C 102 64.764 64.764 64.890 -0.126 19444 5087 1 20 . 1 1 102 102 SER H H 102 8.212 8.212 7.935 0.277 19444 5088 1 20 . 1 1 103 103 ASP N N 103 121.700 121.700 121.637 0.063 19444 5089 1 20 . 1 1 103 103 ASP HA H 103 3.813 3.813 3.953 -0.140 19444 5090 1 20 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.383 0.085 19444 5091 1 20 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.317 -1.533 19444 5092 1 20 . 1 1 103 103 ASP H H 103 8.791 8.791 8.915 -0.124 19444 5093 1 20 . 1 1 104 104 LYS N N 104 116.308 116.308 121.245 -4.937 19444 5094 1 20 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.259 -0.478 19444 5095 1 20 . 1 1 104 104 LYS CA C 104 59.839 59.839 59.447 0.392 19444 5096 1 20 . 1 1 104 104 LYS CB C 104 32.172 32.172 32.436 -0.264 19444 5097 1 20 . 1 1 104 104 LYS H H 104 7.886 7.886 7.858 0.028 19444 5098 1 20 . 1 1 105 105 ALA N N 105 122.364 122.364 122.463 -0.099 19444 5099 1 20 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.079 -0.119 19444 5100 1 20 . 1 1 105 105 ALA CA C 105 55.038 55.038 55.064 -0.026 19444 5101 1 20 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.348 -0.407 19444 5102 1 20 . 1 1 105 105 ALA H H 105 7.343 7.343 8.156 -0.813 19444 5103 1 20 . 1 1 106 106 ILE N N 106 119.713 119.713 119.227 0.486 19444 5104 1 20 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.620 -0.142 19444 5105 1 20 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.748 0.450 19444 5106 1 20 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.753 -0.230 19444 5107 1 20 . 1 1 106 106 ILE H H 106 8.124 8.124 8.222 -0.098 19444 5108 1 20 . 1 1 107 107 PHE N N 107 117.557 117.557 118.410 -0.853 19444 5109 1 20 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.559 -0.113 19444 5110 1 20 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.644 -2.717 19444 5111 1 20 . 1 1 107 107 PHE CB C 107 37.264 37.264 38.010 -0.746 19444 5112 1 20 . 1 1 107 107 PHE H H 107 8.448 8.448 8.170 0.278 19444 5113 1 20 . 1 1 108 108 ARG N N 108 117.407 117.407 118.839 -1.432 19444 5114 1 20 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.223 -0.140 19444 5115 1 20 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.200 0.429 19444 5116 1 20 . 1 1 108 108 ARG CB C 108 30.460 30.460 29.892 0.568 19444 5117 1 20 . 1 1 108 108 ARG H H 108 7.568 7.568 8.319 -0.751 19444 5118 1 20 . 1 1 109 109 ARG N N 109 117.561 117.561 116.289 1.272 19444 5119 1 20 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.198 -0.200 19444 5120 1 20 . 1 1 109 109 ARG CA C 109 57.555 57.555 57.692 -0.137 19444 5121 1 20 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.517 0.070 19444 5122 1 20 . 1 1 109 109 ARG H H 109 7.281 7.281 7.975 -0.694 19444 5123 1 20 . 1 1 110 110 TYR N N 110 116.115 116.115 118.276 -2.161 19444 5124 1 20 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.067 0.261 19444 5125 1 20 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.368 -0.866 19444 5126 1 20 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.309 -0.820 19444 5127 1 20 . 1 1 110 110 TYR H H 110 8.877 8.877 8.257 0.620 19444 5128 1 20 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.655 -0.176 19444 5129 1 20 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.360 0.433 19444 5130 1 20 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.133 -0.462 19444 5131 1 20 . 1 1 112 112 HIS N N 112 116.277 116.277 117.121 -0.844 19444 5132 1 20 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.495 -0.063 19444 5133 1 20 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.647 0.827 19444 5134 1 20 . 1 1 112 112 HIS CB C 112 28.821 28.821 28.121 0.700 19444 5135 1 20 . 1 1 112 112 HIS H H 112 8.300 8.300 8.489 -0.189 19444 5136 1 20 . 1 1 113 113 LEU N N 113 120.770 120.770 119.662 1.108 19444 5137 1 20 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.123 -0.022 19444 5138 1 20 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.455 -1.252 19444 5139 1 20 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.391 1.486 19444 5140 1 20 . 1 1 113 113 LEU H H 113 7.518 7.518 7.150 0.368 19444 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 49 1.972 0.448 1.940 19444 2 1 1 "Average Difference" HA 57 0.262 0.045 0.260 19444 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19444 4 1 1 "Average Difference" CA 54 0.894 -0.040 0.902 19444 5 1 1 "Average Difference" CB 52 0.992 0.042 1.001 19444 6 1 1 "Average Difference" HN 49 0.418 0.093 0.412 19444 7 1 2 "Average Difference" N 49 2.097 0.364 2.086 19444 8 1 2 "Average Difference" HA 57 0.268 0.055 0.264 19444 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19444 10 1 2 "Average Difference" CA 54 1.010 -0.069 1.017 19444 11 1 2 "Average Difference" CB 52 1.076 0.074 1.084 19444 12 1 2 "Average Difference" HN 49 0.420 0.122 0.406 19444 13 1 3 "Average Difference" N 49 2.053 0.279 2.055 19444 14 1 3 "Average Difference" HA 57 0.266 0.038 0.265 19444 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19444 16 1 3 "Average Difference" CA 54 0.940 -0.038 0.948 19444 17 1 3 "Average Difference" CB 52 1.034 0.081 1.041 19444 18 1 3 "Average Difference" HN 49 0.535 0.031 0.539 19444 19 1 4 "Average Difference" N 49 2.049 0.491 2.010 19444 20 1 4 "Average Difference" HA 57 0.278 0.045 0.277 19444 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19444 22 1 4 "Average Difference" CA 54 0.882 -0.008 0.890 19444 23 1 4 "Average Difference" CB 52 1.068 0.017 1.079 19444 24 1 4 "Average Difference" HN 49 0.475 0.054 0.477 19444 25 1 5 "Average Difference" N 49 1.994 0.350 1.984 19444 26 1 5 "Average Difference" HA 57 0.275 0.035 0.276 19444 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19444 28 1 5 "Average Difference" CA 54 0.974 -0.072 0.980 19444 29 1 5 "Average Difference" CB 52 1.027 -0.044 1.036 19444 30 1 5 "Average Difference" HN 49 0.393 0.069 0.391 19444 31 1 6 "Average Difference" N 49 2.010 0.297 2.009 19444 32 1 6 "Average Difference" HA 57 0.271 0.070 0.264 19444 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19444 34 1 6 "Average Difference" CA 54 1.028 -0.080 1.034 19444 35 1 6 "Average Difference" CB 52 1.058 0.057 1.066 19444 36 1 6 "Average Difference" HN 49 0.380 0.080 0.375 19444 37 1 7 "Average Difference" N 49 2.173 0.297 2.175 19444 38 1 7 "Average Difference" HA 57 0.265 0.039 0.264 19444 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19444 40 1 7 "Average Difference" CA 54 0.932 -0.005 0.940 19444 41 1 7 "Average Difference" CB 52 0.916 -0.023 0.925 19444 42 1 7 "Average Difference" HN 49 0.409 0.087 0.404 19444 43 1 8 "Average Difference" N 49 1.933 0.611 1.853 19444 44 1 8 "Average Difference" HA 57 0.298 0.035 0.299 19444 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19444 46 1 8 "Average Difference" CA 54 0.933 -0.042 0.940 19444 47 1 8 "Average Difference" CB 52 0.946 0.005 0.956 19444 48 1 8 "Average Difference" HN 49 0.429 0.074 0.427 19444 49 1 9 "Average Difference" N 49 2.132 0.347 2.126 19444 50 1 9 "Average Difference" HA 57 0.274 0.051 0.272 19444 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19444 52 1 9 "Average Difference" CA 54 0.862 -0.044 0.869 19444 53 1 9 "Average Difference" CB 52 1.063 0.075 1.070 19444 54 1 9 "Average Difference" HN 49 0.434 0.106 0.425 19444 55 1 10 "Average Difference" N 49 2.102 0.254 2.108 19444 56 1 10 "Average Difference" HA 57 0.264 0.043 0.263 19444 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19444 58 1 10 "Average Difference" CA 54 0.923 -0.023 0.931 19444 59 1 10 "Average Difference" CB 52 1.014 0.073 1.021 19444 60 1 10 "Average Difference" HN 49 0.421 0.066 0.420 19444 61 1 11 "Average Difference" N 49 2.001 0.374 1.986 19444 62 1 11 "Average Difference" HA 57 0.280 0.068 0.274 19444 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19444 64 1 11 "Average Difference" CA 54 0.933 -0.050 0.941 19444 65 1 11 "Average Difference" CB 52 1.025 0.074 1.033 19444 66 1 11 "Average Difference" HN 49 0.413 0.116 0.400 19444 67 1 12 "Average Difference" N 49 2.048 0.372 2.035 19444 68 1 12 "Average Difference" HA 57 0.273 0.070 0.266 19444 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19444 70 1 12 "Average Difference" CA 54 0.919 0.039 0.927 19444 71 1 12 "Average Difference" CB 52 1.018 0.097 1.023 19444 72 1 12 "Average Difference" HN 49 0.398 0.093 0.391 19444 73 1 13 "Average Difference" N 49 1.823 0.533 1.762 19444 74 1 13 "Average Difference" HA 57 0.280 0.072 0.272 19444 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19444 76 1 13 "Average Difference" CA 54 0.836 -0.007 0.844 19444 77 1 13 "Average Difference" CB 52 0.973 0.087 0.979 19444 78 1 13 "Average Difference" HN 49 0.401 0.124 0.386 19444 79 1 14 "Average Difference" N 49 2.015 0.434 1.988 19444 80 1 14 "Average Difference" HA 57 0.279 0.067 0.274 19444 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19444 82 1 14 "Average Difference" CA 54 1.030 -0.015 1.039 19444 83 1 14 "Average Difference" CB 52 1.071 0.104 1.076 19444 84 1 14 "Average Difference" HN 49 0.400 0.090 0.394 19444 85 1 15 "Average Difference" N 49 1.901 0.390 1.880 19444 86 1 15 "Average Difference" HA 57 0.262 0.057 0.258 19444 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19444 88 1 15 "Average Difference" CA 54 0.882 -0.038 0.890 19444 89 1 15 "Average Difference" CB 52 0.989 0.069 0.996 19444 90 1 15 "Average Difference" HN 49 0.400 0.074 0.398 19444 91 1 16 "Average Difference" N 49 1.977 0.339 1.968 19444 92 1 16 "Average Difference" HA 57 0.279 0.068 0.273 19444 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19444 94 1 16 "Average Difference" CA 54 0.903 -0.022 0.911 19444 95 1 16 "Average Difference" CB 52 1.089 0.103 1.094 19444 96 1 16 "Average Difference" HN 49 0.436 0.077 0.434 19444 97 1 17 "Average Difference" N 49 2.098 0.457 2.068 19444 98 1 17 "Average Difference" HA 57 0.272 0.038 0.271 19444 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19444 100 1 17 "Average Difference" CA 54 0.842 -0.035 0.849 19444 101 1 17 "Average Difference" CB 52 0.935 0.028 0.944 19444 102 1 17 "Average Difference" HN 49 0.435 0.085 0.431 19444 103 1 18 "Average Difference" N 49 2.017 0.438 1.989 19444 104 1 18 "Average Difference" HA 57 0.280 0.056 0.277 19444 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19444 106 1 18 "Average Difference" CA 54 0.878 -0.048 0.885 19444 107 1 18 "Average Difference" CB 52 1.025 0.082 1.032 19444 108 1 18 "Average Difference" HN 49 0.397 0.086 0.391 19444 109 1 19 "Average Difference" N 49 2.126 0.356 2.118 19444 110 1 19 "Average Difference" HA 57 0.267 0.064 0.261 19444 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19444 112 1 19 "Average Difference" CA 54 0.884 -0.021 0.892 19444 113 1 19 "Average Difference" CB 52 1.001 0.108 1.005 19444 114 1 19 "Average Difference" HN 49 0.405 0.110 0.394 19444 115 1 20 "Average Difference" N 49 2.132 0.281 2.135 19444 116 1 20 "Average Difference" HA 57 0.294 0.052 0.292 19444 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19444 118 1 20 "Average Difference" CA 54 0.913 -0.017 0.921 19444 119 1 20 "Average Difference" CB 52 0.984 0.094 0.989 19444 120 1 20 "Average Difference" HN 49 0.426 0.096 0.419 19444 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 19444 _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 59 59 ALA N N 59 123.352 123.352 123.347 0.005 19444 2 1 . 1 1 59 59 ALA HA H 59 4.284 4.284 4.506 -0.222 19444 3 1 . 1 1 59 59 ALA CA C 59 52.296 52.296 52.008 0.288 19444 4 1 . 1 1 59 59 ALA CB C 59 19.633 19.633 20.248 -0.615 19444 5 1 . 1 1 59 59 ALA H H 59 7.997 7.997 8.103 -0.106 19444 6 1 . 1 1 60 60 LEU N N 60 120.985 120.985 120.979 0.006 19444 7 1 . 1 1 60 60 LEU HA H 60 4.453 4.453 4.472 -0.019 19444 8 1 . 1 1 60 60 LEU CA C 60 54.287 54.287 54.611 -0.324 19444 9 1 . 1 1 60 60 LEU CB C 60 43.255 43.255 43.168 0.087 19444 10 1 . 1 1 60 60 LEU H H 60 8.169 8.169 8.252 -0.083 19444 11 1 . 1 1 61 61 ALA N N 61 125.303 125.303 125.118 0.185 19444 12 1 . 1 1 61 61 ALA HA H 61 4.497 4.497 4.590 -0.093 19444 13 1 . 1 1 61 61 ALA CA C 61 51.227 51.227 50.859 0.368 19444 14 1 . 1 1 61 61 ALA CB C 61 20.176 20.176 20.817 -0.641 19444 15 1 . 1 1 61 61 ALA H H 61 8.445 8.445 8.167 0.278 19444 16 1 . 1 1 62 62 ALA N N 62 127.804 127.804 126.224 1.580 19444 17 1 . 1 1 62 62 ALA HA H 62 4.316 4.316 4.664 -0.348 19444 18 1 . 1 1 62 62 ALA CA C 62 52.009 52.009 51.172 0.837 19444 19 1 . 1 1 62 62 ALA CB C 62 18.985 18.985 19.898 -0.913 19444 20 1 . 1 1 62 62 ALA H H 62 8.583 8.583 9.058 -0.475 19444 21 1 . 1 1 63 63 LEU N N 63 120.096 120.096 121.670 -1.574 19444 22 1 . 1 1 63 63 LEU HA H 63 4.884 4.884 4.991 -0.107 19444 23 1 . 1 1 63 63 LEU CA C 63 51.892 51.892 52.852 -0.960 19444 24 1 . 1 1 63 63 LEU CB C 63 44.132 44.132 45.356 -1.224 19444 25 1 . 1 1 63 63 LEU H H 63 8.077 8.077 8.287 -0.209 19444 26 1 . 1 1 64 64 HIS N N 64 122.245 122.245 118.932 3.313 19444 27 1 . 1 1 64 64 HIS HA H 64 4.240 4.240 4.599 -0.359 19444 28 1 . 1 1 64 64 HIS CA C 64 58.026 58.026 56.990 1.036 19444 29 1 . 1 1 64 64 HIS CB C 64 31.338 31.338 31.441 -0.103 19444 30 1 . 1 1 64 64 HIS H H 64 8.629 8.629 8.698 -0.069 19444 31 1 . 1 1 65 65 ALA HA H 65 4.350 4.350 4.315 0.035 19444 32 1 . 1 1 65 65 ALA CA C 65 53.349 53.349 53.078 0.271 19444 33 1 . 1 1 65 65 ALA CB C 65 19.718 19.718 19.693 0.025 19444 34 1 . 1 1 66 66 ASP N N 66 115.211 115.211 115.197 0.015 19444 35 1 . 1 1 66 66 ASP HA H 66 4.689 4.689 4.733 -0.043 19444 36 1 . 1 1 66 66 ASP CA C 66 52.522 52.522 53.271 -0.749 19444 37 1 . 1 1 66 66 ASP CB C 66 42.751 42.751 43.101 -0.350 19444 38 1 . 1 1 66 66 ASP H H 66 7.869 7.869 7.829 0.040 19444 39 1 . 1 1 67 67 GLY N N 67 105.349 105.349 109.375 -4.026 19444 40 1 . 1 1 67 67 GLY CA C 67 45.266 45.266 45.017 0.249 19444 41 1 . 1 1 67 67 GLY H H 67 8.441 8.441 8.396 0.045 19444 42 1 . 1 1 68 68 PRO HA H 68 4.119 4.119 4.250 -0.131 19444 43 1 . 1 1 68 68 PRO CA C 68 64.204 64.204 65.000 -0.796 19444 44 1 . 1 1 68 68 PRO CB C 68 31.521 31.521 31.614 -0.093 19444 45 1 . 1 1 69 69 HIS N N 69 116.893 116.893 115.390 1.503 19444 46 1 . 1 1 69 69 HIS HA H 69 4.685 4.685 4.728 -0.043 19444 47 1 . 1 1 69 69 HIS CA C 69 52.986 52.986 52.637 0.349 19444 48 1 . 1 1 69 69 HIS CB C 69 29.477 29.477 29.313 0.163 19444 49 1 . 1 1 69 69 HIS H H 69 8.503 8.503 8.138 0.365 19444 50 1 . 1 1 70 70 ALA N N 70 120.705 120.705 122.001 -1.296 19444 51 1 . 1 1 70 70 ALA HA H 70 3.567 3.567 4.108 -0.541 19444 52 1 . 1 1 70 70 ALA CA C 70 53.779 53.779 53.690 0.089 19444 53 1 . 1 1 70 70 ALA CB C 70 18.200 18.200 18.294 -0.094 19444 54 1 . 1 1 70 70 ALA H H 70 6.892 6.892 7.485 -0.593 19444 55 1 . 1 1 71 71 GLY N N 71 109.407 109.407 113.082 -3.674 19444 56 1 . 1 1 71 71 GLY CA C 71 45.346 45.346 45.004 0.342 19444 57 1 . 1 1 71 71 GLY H H 71 9.144 9.144 8.994 0.150 19444 58 1 . 1 1 72 72 LEU N N 72 119.969 119.969 122.329 -2.360 19444 59 1 . 1 1 72 72 LEU HA H 72 4.860 4.860 4.721 0.139 19444 60 1 . 1 1 72 72 LEU CA C 72 52.076 52.076 52.259 -0.183 19444 61 1 . 1 1 72 72 LEU CB C 72 41.464 41.464 41.670 -0.206 19444 62 1 . 1 1 72 72 LEU H H 72 8.255 8.255 8.163 0.092 19444 63 1 . 1 1 73 73 PRO HA H 73 4.838 4.838 4.660 0.178 19444 64 1 . 1 1 73 73 PRO CA C 73 61.510 61.510 62.774 -1.264 19444 65 1 . 1 1 73 73 PRO CB C 73 31.407 31.407 32.185 -0.778 19444 66 1 . 1 1 74 74 VAL N N 74 121.438 121.438 120.278 1.160 19444 67 1 . 1 1 74 74 VAL HA H 74 3.489 3.489 3.907 -0.418 19444 68 1 . 1 1 74 74 VAL CA C 74 65.653 65.653 64.176 1.477 19444 69 1 . 1 1 74 74 VAL CB C 74 31.323 31.323 32.164 -0.841 19444 70 1 . 1 1 74 74 VAL H H 74 7.729 7.729 8.290 -0.561 19444 71 1 . 1 1 75 75 THR N N 75 108.826 108.826 109.776 -0.950 19444 72 1 . 1 1 75 75 THR HA H 75 5.015 5.015 4.589 0.426 19444 73 1 . 1 1 75 75 THR CA C 75 59.822 59.822 59.226 0.596 19444 74 1 . 1 1 75 75 THR CB C 75 74.087 74.087 71.825 2.262 19444 75 1 . 1 1 75 75 THR H H 75 8.763 8.763 8.150 0.613 19444 76 1 . 1 1 76 76 ARG HA H 76 3.930 3.930 3.738 0.192 19444 77 1 . 1 1 77 77 SER N N 77 114.493 114.493 114.568 -0.075 19444 78 1 . 1 1 77 77 SER HA H 77 4.133 4.133 4.100 0.033 19444 79 1 . 1 1 77 77 SER CA C 77 60.600 60.600 61.701 -1.101 19444 80 1 . 1 1 77 77 SER CB C 77 62.378 62.378 62.752 -0.374 19444 81 1 . 1 1 77 77 SER H H 77 8.231 8.231 8.247 -0.016 19444 82 1 . 1 1 78 78 ASP N N 78 120.698 120.698 122.558 -1.860 19444 83 1 . 1 1 78 78 ASP HA H 78 4.408 4.408 4.305 0.103 19444 84 1 . 1 1 78 78 ASP CA C 78 58.079 58.079 57.383 0.696 19444 85 1 . 1 1 78 78 ASP CB C 78 43.334 43.334 40.375 2.959 19444 86 1 . 1 1 78 78 ASP H H 78 7.388 7.388 8.022 -0.634 19444 87 1 . 1 1 79 79 ALA N N 79 120.570 120.570 122.630 -2.060 19444 88 1 . 1 1 79 79 ALA HA H 79 3.724 3.724 3.821 -0.097 19444 89 1 . 1 1 79 79 ALA CA C 79 54.901 54.901 55.095 -0.194 19444 90 1 . 1 1 79 79 ALA CB C 79 19.746 19.746 18.184 1.562 19444 91 1 . 1 1 79 79 ALA H H 79 7.873 7.873 8.255 -0.382 19444 92 1 . 1 1 80 80 ARG N N 80 116.347 116.347 119.121 -2.774 19444 93 1 . 1 1 80 80 ARG HA H 80 3.808 3.808 3.996 -0.188 19444 94 1 . 1 1 80 80 ARG CA C 80 61.567 61.567 59.453 2.114 19444 95 1 . 1 1 80 80 ARG CB C 80 30.431 30.431 30.313 0.118 19444 96 1 . 1 1 80 80 ARG H H 80 8.117 8.117 8.075 0.042 19444 97 1 . 1 1 81 81 VAL N N 81 119.158 119.158 120.124 -0.966 19444 98 1 . 1 1 81 81 VAL HA H 81 3.668 3.668 3.863 -0.195 19444 99 1 . 1 1 81 81 VAL CA C 81 66.913 66.913 66.840 0.073 19444 100 1 . 1 1 81 81 VAL CB C 81 31.772 31.772 31.706 0.066 19444 101 1 . 1 1 81 81 VAL H H 81 7.373 7.373 8.224 -0.851 19444 102 1 . 1 1 82 82 LEU N N 82 118.515 118.515 121.515 -3.000 19444 103 1 . 1 1 82 82 LEU HA H 82 4.112 4.112 3.884 0.228 19444 104 1 . 1 1 82 82 LEU CA C 82 58.255 58.255 58.648 -0.393 19444 105 1 . 1 1 82 82 LEU CB C 82 41.504 41.504 41.728 -0.224 19444 106 1 . 1 1 82 82 LEU H H 82 7.589 7.589 8.314 -0.725 19444 107 1 . 1 1 83 83 ILE N N 83 121.181 121.181 119.424 1.757 19444 108 1 . 1 1 83 83 ILE HA H 83 3.774 3.774 3.667 0.107 19444 109 1 . 1 1 83 83 ILE CA C 83 65.831 65.831 65.768 0.063 19444 110 1 . 1 1 83 83 ILE CB C 83 38.588 38.588 37.967 0.622 19444 111 1 . 1 1 83 83 ILE H H 83 8.755 8.755 8.235 0.520 19444 112 1 . 1 1 84 84 PHE N N 84 123.192 123.192 120.221 2.971 19444 113 1 . 1 1 84 84 PHE HA H 84 4.162 4.162 4.097 0.065 19444 114 1 . 1 1 84 84 PHE CA C 84 62.656 62.656 62.248 0.408 19444 115 1 . 1 1 84 84 PHE CB C 84 39.064 39.064 39.155 -0.091 19444 116 1 . 1 1 84 84 PHE H H 84 8.683 8.683 8.633 0.050 19444 117 1 . 1 1 85 85 ASN N N 85 118.056 118.056 118.015 0.041 19444 118 1 . 1 1 85 85 ASN HA H 85 4.465 4.465 4.347 0.118 19444 119 1 . 1 1 85 85 ASN CA C 85 56.147 56.147 56.476 -0.329 19444 120 1 . 1 1 85 85 ASN CB C 85 37.903 37.903 38.360 -0.457 19444 121 1 . 1 1 85 85 ASN H H 85 8.892 8.892 8.638 0.254 19444 122 1 . 1 1 86 86 ASP N N 86 120.374 120.374 121.558 -1.184 19444 123 1 . 1 1 86 86 ASP HA H 86 4.452 4.452 4.389 0.063 19444 124 1 . 1 1 86 86 ASP CA C 86 57.297 57.297 57.929 -0.631 19444 125 1 . 1 1 86 86 ASP CB C 86 42.267 42.267 40.927 1.340 19444 126 1 . 1 1 86 86 ASP H H 86 8.146 8.146 8.381 -0.235 19444 127 1 . 1 1 87 87 TRP N N 87 121.401 121.401 121.694 -0.293 19444 128 1 . 1 1 87 87 TRP HA H 87 3.957 3.957 4.125 -0.168 19444 129 1 . 1 1 87 87 TRP CA C 87 61.787 61.787 61.637 0.150 19444 130 1 . 1 1 87 87 TRP CB C 87 27.946 27.946 29.549 -1.603 19444 131 1 . 1 1 87 87 TRP H H 87 8.121 8.121 8.474 -0.353 19444 132 1 . 1 1 88 88 GLU N N 88 117.779 117.779 118.353 -0.574 19444 133 1 . 1 1 88 88 GLU HA H 88 2.946 2.946 3.123 -0.177 19444 134 1 . 1 1 88 88 GLU CA C 88 59.670 59.670 59.589 0.080 19444 135 1 . 1 1 88 88 GLU CB C 88 29.540 29.540 28.903 0.637 19444 136 1 . 1 1 88 88 GLU H H 88 8.613 8.613 8.413 0.200 19444 137 1 . 1 1 89 89 GLU N N 89 116.209 116.209 119.764 -3.555 19444 138 1 . 1 1 89 89 GLU HA H 89 4.001 4.001 3.911 0.090 19444 139 1 . 1 1 89 89 GLU CA C 89 58.490 58.490 59.291 -0.801 19444 140 1 . 1 1 89 89 GLU CB C 89 29.888 29.888 29.469 0.419 19444 141 1 . 1 1 89 89 GLU H H 89 7.456 7.456 7.935 -0.479 19444 142 1 . 1 1 90 90 ARG N N 90 119.957 119.957 118.201 1.756 19444 143 1 . 1 1 90 90 ARG HA H 90 3.953 3.953 3.967 -0.014 19444 144 1 . 1 1 90 90 ARG CA C 90 58.577 58.577 58.376 0.201 19444 145 1 . 1 1 90 90 ARG CB C 90 31.731 31.731 29.886 1.845 19444 146 1 . 1 1 90 90 ARG H H 90 8.134 8.134 8.243 -0.109 19444 147 1 . 1 1 91 91 LYS N N 91 118.871 118.871 120.505 -1.634 19444 148 1 . 1 1 91 91 LYS HA H 91 3.672 3.672 4.049 -0.377 19444 149 1 . 1 1 91 91 LYS CA C 91 57.710 57.710 58.428 -0.718 19444 150 1 . 1 1 91 91 LYS CB C 91 30.505 30.505 31.636 -1.131 19444 151 1 . 1 1 91 91 LYS H H 91 8.325 8.325 8.065 0.260 19444 152 1 . 1 1 92 92 ARG N N 92 117.453 117.453 118.628 -1.175 19444 153 1 . 1 1 92 92 ARG HA H 92 3.875 3.875 3.941 -0.066 19444 154 1 . 1 1 92 92 ARG CA C 92 58.881 58.881 58.485 0.396 19444 155 1 . 1 1 92 92 ARG CB C 92 29.785 29.785 30.060 -0.276 19444 156 1 . 1 1 92 92 ARG H H 92 7.069 7.069 7.866 -0.797 19444 157 1 . 1 1 93 93 SER N N 93 110.842 110.842 113.676 -2.834 19444 158 1 . 1 1 93 93 SER HA H 93 4.513 4.513 4.249 0.264 19444 159 1 . 1 1 93 93 SER CA C 93 58.762 58.762 60.195 -1.433 19444 160 1 . 1 1 93 93 SER CB C 93 64.164 64.164 63.992 0.172 19444 161 1 . 1 1 93 93 SER H H 93 7.427 7.427 7.718 -0.291 19444 162 1 . 1 1 94 94 GLU N N 94 121.732 121.732 119.432 2.300 19444 163 1 . 1 1 94 94 GLU HA H 94 3.677 3.677 4.066 -0.390 19444 164 1 . 1 1 94 94 GLU CA C 94 52.886 52.886 52.710 0.176 19444 165 1 . 1 1 94 94 GLU CB C 94 30.054 30.054 30.350 -0.296 19444 166 1 . 1 1 94 94 GLU H H 94 7.629 7.629 7.772 -0.143 19444 167 1 . 1 1 95 95 PRO HA H 95 4.308 4.308 4.381 -0.073 19444 168 1 . 1 1 95 95 PRO CA C 95 64.631 64.631 64.066 0.565 19444 169 1 . 1 1 95 95 PRO CB C 95 31.484 31.484 31.934 -0.450 19444 170 1 . 1 1 96 96 TRP N N 96 115.321 115.321 116.321 -1.000 19444 171 1 . 1 1 96 96 TRP HA H 96 4.655 4.655 4.748 -0.093 19444 172 1 . 1 1 96 96 TRP CA C 96 56.766 56.766 54.675 2.091 19444 173 1 . 1 1 96 96 TRP CB C 96 28.016 28.016 28.415 -0.399 19444 174 1 . 1 1 96 96 TRP H H 96 6.840 6.840 6.870 -0.030 19444 175 1 . 1 1 97 97 LEU N N 97 125.159 125.159 123.764 1.395 19444 176 1 . 1 1 97 97 LEU HA H 97 4.177 4.177 4.443 -0.266 19444 177 1 . 1 1 97 97 LEU CA C 97 56.099 56.099 54.734 1.365 19444 178 1 . 1 1 97 97 LEU CB C 97 43.228 43.228 42.379 0.849 19444 179 1 . 1 1 97 97 LEU H H 97 7.287 7.287 7.201 0.086 19444 180 1 . 1 1 98 98 ARG N N 98 128.515 128.515 127.610 0.905 19444 181 1 . 1 1 98 98 ARG HA H 98 4.588 4.588 4.571 0.017 19444 182 1 . 1 1 98 98 ARG CA C 98 55.090 55.090 55.612 -0.522 19444 183 1 . 1 1 98 98 ARG CB C 98 31.336 31.336 31.352 -0.016 19444 184 1 . 1 1 98 98 ARG H H 98 8.898 8.898 8.625 0.273 19444 185 1 . 1 1 99 99 LEU N N 99 127.834 127.834 124.462 3.372 19444 186 1 . 1 1 99 99 LEU HA H 99 3.596 3.596 4.308 -0.712 19444 187 1 . 1 1 99 99 LEU CA C 99 54.578 54.578 53.964 0.614 19444 188 1 . 1 1 99 99 LEU CB C 99 40.174 40.174 42.952 -2.778 19444 189 1 . 1 1 99 99 LEU H H 99 8.362 8.362 8.391 -0.029 19444 190 1 . 1 1 100 100 ASP N N 100 127.038 127.038 127.362 -0.324 19444 191 1 . 1 1 100 100 ASP HA H 100 4.712 4.712 4.886 -0.174 19444 192 1 . 1 1 100 100 ASP CA C 100 53.014 53.014 54.000 -0.986 19444 193 1 . 1 1 100 100 ASP CB C 100 41.398 41.398 42.717 -1.319 19444 194 1 . 1 1 100 100 ASP H H 100 7.998 7.998 8.550 -0.552 19444 195 1 . 1 1 101 101 MET N N 101 122.551 122.551 118.551 3.999 19444 196 1 . 1 1 101 101 MET HA H 101 4.533 4.533 4.675 -0.142 19444 197 1 . 1 1 101 101 MET CA C 101 53.583 53.583 54.770 -1.187 19444 198 1 . 1 1 101 101 MET CB C 101 33.400 33.400 33.727 -0.327 19444 199 1 . 1 1 101 101 MET H H 101 8.761 8.761 8.020 0.741 19444 200 1 . 1 1 102 102 SER N N 102 116.261 116.261 117.205 -0.944 19444 201 1 . 1 1 102 102 SER HA H 102 4.191 4.191 4.216 -0.025 19444 202 1 . 1 1 102 102 SER CA C 102 58.655 58.655 57.882 0.773 19444 203 1 . 1 1 102 102 SER CB C 102 64.764 64.764 64.727 0.037 19444 204 1 . 1 1 102 102 SER H H 102 8.212 8.212 7.917 0.295 19444 205 1 . 1 1 103 103 ASP N N 103 121.700 121.700 123.041 -1.341 19444 206 1 . 1 1 103 103 ASP HA H 103 3.813 3.813 4.047 -0.234 19444 207 1 . 1 1 103 103 ASP CA C 103 57.468 57.468 57.541 -0.073 19444 208 1 . 1 1 103 103 ASP CB C 103 38.784 38.784 40.322 -1.538 19444 209 1 . 1 1 103 103 ASP H H 103 8.791 8.791 8.848 -0.057 19444 210 1 . 1 1 104 104 LYS N N 104 116.308 116.308 119.768 -3.459 19444 211 1 . 1 1 104 104 LYS HA H 104 3.781 3.781 4.224 -0.443 19444 212 1 . 1 1 104 104 LYS CA C 104 59.839 59.839 58.959 0.880 19444 213 1 . 1 1 104 104 LYS CB C 104 32.172 32.172 31.963 0.209 19444 214 1 . 1 1 104 104 LYS H H 104 7.886 7.886 8.034 -0.148 19444 215 1 . 1 1 105 105 ALA N N 105 122.364 122.364 122.511 -0.147 19444 216 1 . 1 1 105 105 ALA HA H 105 3.960 3.960 4.101 -0.141 19444 217 1 . 1 1 105 105 ALA CA C 105 55.038 55.038 54.912 0.126 19444 218 1 . 1 1 105 105 ALA CB C 105 17.941 17.941 18.090 -0.149 19444 219 1 . 1 1 105 105 ALA H H 105 7.343 7.343 7.615 -0.272 19444 220 1 . 1 1 106 106 ILE N N 106 119.713 119.713 119.328 0.385 19444 221 1 . 1 1 106 106 ILE HA H 106 3.478 3.478 3.633 -0.155 19444 222 1 . 1 1 106 106 ILE CA C 106 66.198 66.198 65.219 0.979 19444 223 1 . 1 1 106 106 ILE CB C 106 37.523 37.523 37.404 0.119 19444 224 1 . 1 1 106 106 ILE H H 106 8.124 8.124 8.167 -0.043 19444 225 1 . 1 1 107 107 PHE N N 107 117.557 117.557 118.689 -1.132 19444 226 1 . 1 1 107 107 PHE HA H 107 4.446 4.446 4.589 -0.143 19444 227 1 . 1 1 107 107 PHE CA C 107 56.927 56.927 59.590 -2.663 19444 228 1 . 1 1 107 107 PHE CB C 107 37.264 37.264 37.998 -0.734 19444 229 1 . 1 1 107 107 PHE H H 107 8.448 8.448 8.109 0.339 19444 230 1 . 1 1 108 108 ARG N N 108 117.407 117.407 118.642 -1.235 19444 231 1 . 1 1 108 108 ARG HA H 108 4.083 4.083 4.212 -0.129 19444 232 1 . 1 1 108 108 ARG CA C 108 58.629 58.629 58.347 0.282 19444 233 1 . 1 1 108 108 ARG CB C 108 30.460 30.460 30.010 0.450 19444 234 1 . 1 1 108 108 ARG H H 108 7.568 7.568 8.349 -0.781 19444 235 1 . 1 1 109 109 ARG N N 109 117.561 117.561 117.737 -0.176 19444 236 1 . 1 1 109 109 ARG HA H 109 3.998 3.998 4.133 -0.135 19444 237 1 . 1 1 109 109 ARG CA C 109 57.555 57.555 58.171 -0.616 19444 238 1 . 1 1 109 109 ARG CB C 109 31.587 31.587 31.425 0.162 19444 239 1 . 1 1 109 109 ARG H H 109 7.281 7.281 7.929 -0.648 19444 240 1 . 1 1 110 110 TYR N N 110 116.115 116.115 117.494 -1.379 19444 241 1 . 1 1 110 110 TYR HA H 110 5.328 5.328 5.093 0.235 19444 242 1 . 1 1 110 110 TYR CA C 110 54.502 54.502 55.165 -0.663 19444 243 1 . 1 1 110 110 TYR CB C 110 38.489 38.489 39.461 -0.972 19444 244 1 . 1 1 110 110 TYR H H 110 8.877 8.877 8.259 0.618 19444 245 1 . 1 1 111 111 PRO HA H 111 4.479 4.479 4.641 -0.162 19444 246 1 . 1 1 111 111 PRO CA C 111 64.793 64.793 64.350 0.443 19444 247 1 . 1 1 111 111 PRO CB C 111 31.671 31.671 32.171 -0.500 19444 248 1 . 1 1 112 112 HIS N N 112 116.277 116.277 115.979 0.298 19444 249 1 . 1 1 112 112 HIS HA H 112 4.432 4.432 4.487 -0.055 19444 250 1 . 1 1 112 112 HIS CA C 112 58.474 58.474 57.378 1.096 19444 251 1 . 1 1 112 112 HIS CB C 112 28.821 28.821 27.922 0.899 19444 252 1 . 1 1 112 112 HIS H H 112 8.300 8.300 8.502 -0.202 19444 253 1 . 1 1 113 113 LEU N N 113 120.770 120.770 119.607 1.163 19444 254 1 . 1 1 113 113 LEU HA H 113 4.101 4.101 4.138 -0.037 19444 255 1 . 1 1 113 113 LEU CA C 113 54.203 54.203 55.377 -1.174 19444 256 1 . 1 1 113 113 LEU CB C 113 41.877 41.877 40.517 1.360 19444 257 1 . 1 1 113 113 LEU H H 113 7.518 7.518 7.150 0.368 19444 stop_ save_