data_19817 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19817 _Entry.PDB_ID 2MLF 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 19817 _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 91 91 GLY N N 91 123.830 123.830 106.676 17.154 19817 2 1 1 . 1 1 91 91 GLY CA C 91 45.000 45.000 44.898 0.102 19817 3 1 1 . 1 1 91 91 GLY H H 91 6.020 6.020 8.651 -2.631 19817 4 1 1 . 1 1 92 92 LYS N N 92 121.100 121.100 117.059 4.041 19817 5 1 1 . 1 1 92 92 LYS HA H 92 4.430 4.430 3.805 0.625 19817 6 1 1 . 1 1 92 92 LYS CA C 92 56.000 56.000 57.165 -1.165 19817 7 1 1 . 1 1 92 92 LYS CB C 92 33.800 33.800 30.428 3.372 19817 8 1 1 . 1 1 92 92 LYS H H 92 8.610 8.610 8.343 0.267 19817 9 1 1 . 1 1 93 93 SER N N 93 117.190 117.190 114.374 2.816 19817 10 1 1 . 1 1 93 93 SER HA H 93 4.470 4.470 4.658 -0.188 19817 11 1 1 . 1 1 93 93 SER CA C 93 58.100 58.100 56.221 1.879 19817 12 1 1 . 1 1 93 93 SER CB C 93 65.000 65.000 64.223 0.777 19817 13 1 1 . 1 1 93 93 SER H H 93 8.760 8.760 7.889 0.871 19817 14 1 1 . 1 1 94 94 GLU N N 94 122.350 122.350 128.231 -5.881 19817 15 1 1 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.081 -0.081 19817 16 1 1 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.033 0.967 19817 17 1 1 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.722 -0.622 19817 18 1 1 . 1 1 94 94 GLU H H 94 8.890 8.890 9.011 -0.121 19817 19 1 1 . 1 1 95 95 GLU N N 95 119.160 119.160 118.684 0.476 19817 20 1 1 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.072 0.018 19817 21 1 1 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.280 0.420 19817 22 1 1 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.313 -0.113 19817 23 1 1 . 1 1 95 95 GLU H H 95 8.610 8.610 8.576 0.034 19817 24 1 1 . 1 1 96 96 GLU N N 96 120.300 120.300 120.376 -0.076 19817 25 1 1 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.112 0.178 19817 26 1 1 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.225 -0.225 19817 27 1 1 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.398 0.802 19817 28 1 1 . 1 1 96 96 GLU H H 96 7.930 7.930 7.964 -0.034 19817 29 1 1 . 1 1 97 97 LEU N N 97 119.340 119.340 119.339 0.001 19817 30 1 1 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.136 0.134 19817 31 1 1 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.184 0.316 19817 32 1 1 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.820 0.080 19817 33 1 1 . 1 1 97 97 LEU H H 97 8.520 8.520 7.480 1.040 19817 34 1 1 . 1 1 98 98 SER N N 98 115.800 115.800 115.371 0.429 19817 35 1 1 . 1 1 98 98 SER HA H 98 4.280 4.280 3.946 0.334 19817 36 1 1 . 1 1 98 98 SER CA C 98 62.300 62.300 62.723 -0.423 19817 37 1 1 . 1 1 98 98 SER CB C 98 62.500 62.500 62.935 -0.435 19817 38 1 1 . 1 1 98 98 SER H H 98 8.700 8.700 7.999 0.701 19817 39 1 1 . 1 1 99 99 ASP N N 99 121.600 121.600 122.287 -0.687 19817 40 1 1 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.541 0.159 19817 41 1 1 . 1 1 99 99 ASP CA C 99 58.500 58.500 56.739 1.761 19817 42 1 1 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.946 0.454 19817 43 1 1 . 1 1 99 99 ASP H H 99 7.510 7.510 7.807 -0.297 19817 44 1 1 . 1 1 100 100 LEU N N 100 117.900 117.900 119.717 -1.817 19817 45 1 1 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.094 0.056 19817 46 1 1 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.634 0.666 19817 47 1 1 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.992 -0.392 19817 48 1 1 . 1 1 100 100 LEU H H 100 8.170 8.170 8.352 -0.182 19817 49 1 1 . 1 1 101 101 PHE N N 101 120.490 120.490 118.912 1.578 19817 50 1 1 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.531 1.739 19817 51 1 1 . 1 1 101 101 PHE CA C 101 62.200 62.200 60.966 1.234 19817 52 1 1 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.560 0.640 19817 53 1 1 . 1 1 101 101 PHE H H 101 8.760 8.760 8.406 0.354 19817 54 1 1 . 1 1 102 102 ARG N N 102 115.520 115.520 118.667 -3.147 19817 55 1 1 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.852 0.118 19817 56 1 1 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.135 0.065 19817 57 1 1 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.881 0.519 19817 58 1 1 . 1 1 102 102 ARG H H 102 7.470 7.470 7.760 -0.290 19817 59 1 1 . 1 1 103 103 MET N N 103 114.150 114.150 116.528 -2.378 19817 60 1 1 . 1 1 103 103 MET HA H 103 4.370 4.370 4.056 0.314 19817 61 1 1 . 1 1 103 103 MET CA C 103 55.900 55.900 58.818 -2.918 19817 62 1 1 . 1 1 103 103 MET CB C 103 34.300 34.300 32.504 1.796 19817 63 1 1 . 1 1 103 103 MET H H 103 7.590 7.590 7.532 0.058 19817 64 1 1 . 1 1 104 104 PHE N N 104 115.060 115.060 117.848 -2.788 19817 65 1 1 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.295 -0.005 19817 66 1 1 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.309 -0.909 19817 67 1 1 . 1 1 104 104 PHE CB C 104 41.700 41.700 38.976 2.724 19817 68 1 1 . 1 1 104 104 PHE H H 104 7.380 7.380 7.262 0.118 19817 69 1 1 . 1 1 105 105 ASP N N 105 116.710 116.710 117.681 -0.971 19817 70 1 1 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.591 -0.171 19817 71 1 1 . 1 1 105 105 ASP CA C 105 52.400 52.400 55.001 -2.601 19817 72 1 1 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.915 -2.915 19817 73 1 1 . 1 1 105 105 ASP H H 105 7.270 7.270 7.352 -0.082 19817 74 1 1 . 1 1 106 106 LYS N N 106 124.270 124.270 124.063 0.207 19817 75 1 1 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.421 -0.391 19817 76 1 1 . 1 1 106 106 LYS C C 106 113.428 113.428 177.802 -64.374 19817 77 1 1 . 1 1 106 106 LYS CA C 106 58.200 58.200 56.385 1.815 19817 78 1 1 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.266 -0.366 19817 79 1 1 . 1 1 106 106 LYS H H 106 7.510 7.510 8.979 -1.469 19817 80 1 1 . 1 1 107 107 ASN N N 107 113.600 113.600 117.574 -3.974 19817 81 1 1 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.714 0.016 19817 82 1 1 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.302 -0.602 19817 83 1 1 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.605 -1.706 19817 84 1 1 . 1 1 107 107 ASN H H 107 8.000 8.000 8.033 -0.033 19817 85 1 1 . 1 1 108 108 ALA N N 108 121.600 121.600 121.073 0.527 19817 86 1 1 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.009 0.061 19817 87 1 1 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.387 -0.087 19817 88 1 1 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.543 0.557 19817 89 1 1 . 1 1 108 108 ALA H H 108 7.810 7.810 8.181 -0.371 19817 90 1 1 . 1 1 109 109 ASP N N 109 118.480 118.480 117.551 0.929 19817 91 1 1 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.602 0.098 19817 92 1 1 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.311 -1.111 19817 93 1 1 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.358 -0.358 19817 94 1 1 . 1 1 109 109 ASP H H 109 8.520 8.520 8.061 0.459 19817 95 1 1 . 1 1 110 110 GLY N N 110 112.250 112.250 107.114 5.136 19817 96 1 1 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.074 -0.074 19817 97 1 1 . 1 1 110 110 GLY H H 110 10.400 10.400 8.648 1.752 19817 98 1 1 . 1 1 111 111 TYR N N 111 115.590 115.590 118.567 -2.977 19817 99 1 1 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.190 -0.020 19817 100 1 1 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.868 -0.768 19817 101 1 1 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.481 1.619 19817 102 1 1 . 1 1 111 111 TYR H H 111 8.000 8.000 8.368 -0.368 19817 103 1 1 . 1 1 112 112 ILE N N 112 125.560 125.560 123.065 2.495 19817 104 1 1 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.385 0.375 19817 105 1 1 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.959 -0.359 19817 106 1 1 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.982 0.018 19817 107 1 1 . 1 1 112 112 ILE H H 112 9.830 9.830 9.338 0.492 19817 108 1 1 . 1 1 113 113 ASP N N 113 128.350 128.350 126.635 1.715 19817 109 1 1 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.047 -0.087 19817 110 1 1 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.480 -0.480 19817 111 1 1 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.816 -1.616 19817 112 1 1 . 1 1 113 113 ASP H H 113 9.030 9.030 8.612 0.418 19817 113 1 1 . 1 1 114 114 LEU N N 114 118.300 118.300 120.769 -2.469 19817 114 1 1 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.016 -0.036 19817 115 1 1 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.381 0.419 19817 116 1 1 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.665 0.935 19817 117 1 1 . 1 1 114 114 LEU H H 114 8.530 8.530 8.262 0.268 19817 118 1 1 . 1 1 115 115 ASP N N 115 118.300 118.300 119.178 -0.878 19817 119 1 1 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.354 0.016 19817 120 1 1 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.023 -0.023 19817 121 1 1 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.688 -0.048 19817 122 1 1 . 1 1 115 115 ASP H H 115 7.920 7.920 8.956 -1.036 19817 123 1 1 . 1 1 116 116 GLU N N 116 121.400 121.400 119.901 1.499 19817 124 1 1 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.028 0.602 19817 125 1 1 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.981 -0.481 19817 126 1 1 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.507 -0.107 19817 127 1 1 . 1 1 116 116 GLU H H 116 8.670 8.670 7.492 1.178 19817 128 1 1 . 1 1 117 117 LEU N N 117 121.200 121.200 121.130 0.070 19817 129 1 1 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.082 -0.092 19817 130 1 1 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.753 0.707 19817 131 1 1 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.158 -0.108 19817 132 1 1 . 1 1 117 117 LEU H H 117 8.670 8.670 8.184 0.486 19817 133 1 1 . 1 1 118 118 LYS N N 118 118.800 118.800 119.329 -0.529 19817 134 1 1 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.877 -0.057 19817 135 1 1 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.897 1.403 19817 136 1 1 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.222 0.278 19817 137 1 1 . 1 1 118 118 LYS H H 118 8.610 8.610 7.802 0.808 19817 138 1 1 . 1 1 119 119 ILE N N 119 119.400 119.400 119.187 0.213 19817 139 1 1 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.632 0.178 19817 140 1 1 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.761 0.339 19817 141 1 1 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.644 0.556 19817 142 1 1 . 1 1 119 119 ILE H H 119 8.180 8.180 7.648 0.532 19817 143 1 1 . 1 1 120 120 MET N N 120 119.340 119.340 117.990 1.350 19817 144 1 1 . 1 1 120 120 MET HA H 120 3.360 3.360 3.937 -0.577 19817 145 1 1 . 1 1 120 120 MET CA C 120 57.100 57.100 59.446 -2.346 19817 146 1 1 . 1 1 120 120 MET CB C 120 31.600 31.600 32.111 -0.510 19817 147 1 1 . 1 1 120 120 MET H H 120 7.500 7.500 7.442 0.058 19817 148 1 1 . 1 1 121 121 LEU N N 121 117.920 117.920 119.224 -1.304 19817 149 1 1 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.285 -0.255 19817 150 1 1 . 1 1 121 121 LEU CA C 121 57.600 57.600 56.236 1.364 19817 151 1 1 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.287 1.413 19817 152 1 1 . 1 1 121 121 LEU H H 121 8.520 8.520 7.329 1.191 19817 153 1 1 . 1 1 122 122 GLN N N 122 120.780 120.780 119.084 1.696 19817 154 1 1 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.926 0.184 19817 155 1 1 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.854 -0.054 19817 156 1 1 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.348 -0.348 19817 157 1 1 . 1 1 122 122 GLN H H 122 8.810 8.810 8.491 0.319 19817 158 1 1 . 1 1 123 123 ALA N N 123 121.220 121.220 121.260 -0.040 19817 159 1 1 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.123 0.177 19817 160 1 1 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.747 -1.147 19817 161 1 1 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.558 -0.058 19817 162 1 1 . 1 1 123 123 ALA H H 123 7.580 7.580 7.855 -0.275 19817 163 1 1 . 1 1 124 124 THR N N 124 106.720 106.720 109.631 -2.911 19817 164 1 1 . 1 1 124 124 THR HA H 124 4.050 4.050 4.224 -0.174 19817 165 1 1 . 1 1 124 124 THR CA C 124 64.200 64.200 62.401 1.799 19817 166 1 1 . 1 1 124 124 THR CB C 124 71.300 71.300 69.325 1.975 19817 167 1 1 . 1 1 124 124 THR H H 124 7.490 7.490 7.537 -0.047 19817 168 1 1 . 1 1 125 125 GLY N N 125 108.350 108.350 110.421 -2.071 19817 169 1 1 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.015 0.585 19817 170 1 1 . 1 1 125 125 GLY H H 125 7.680 7.680 7.919 -0.239 19817 171 1 1 . 1 1 126 126 GLU N N 126 120.100 120.100 119.918 0.182 19817 172 1 1 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.650 -0.370 19817 173 1 1 . 1 1 126 126 GLU CA C 126 55.200 55.200 54.504 0.696 19817 174 1 1 . 1 1 126 126 GLU CB C 126 31.000 31.000 31.526 -0.526 19817 175 1 1 . 1 1 126 126 GLU H H 126 7.500 7.500 8.187 -0.687 19817 176 1 1 . 1 1 127 127 THR N N 127 119.830 119.830 117.647 2.183 19817 177 1 1 . 1 1 127 127 THR HA H 127 4.170 4.170 4.423 -0.253 19817 178 1 1 . 1 1 127 127 THR CA C 127 63.700 63.700 62.172 1.528 19817 179 1 1 . 1 1 127 127 THR CB C 127 68.800 68.800 69.365 -0.565 19817 180 1 1 . 1 1 127 127 THR H H 127 8.650 8.650 8.363 0.287 19817 181 1 1 . 1 1 128 128 ILE N N 128 128.630 128.630 125.602 3.028 19817 182 1 1 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.360 0.280 19817 183 1 1 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.283 -1.583 19817 184 1 1 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.833 -1.633 19817 185 1 1 . 1 1 128 128 ILE H H 128 8.370 8.370 8.374 -0.004 19817 186 1 1 . 1 1 129 129 THR N N 129 119.830 119.830 120.725 -0.895 19817 187 1 1 . 1 1 129 129 THR HA H 129 4.750 4.750 4.495 0.255 19817 188 1 1 . 1 1 129 129 THR CA C 129 59.700 59.700 60.944 -1.244 19817 189 1 1 . 1 1 129 129 THR CB C 129 72.300 72.300 70.297 2.003 19817 190 1 1 . 1 1 129 129 THR H H 129 9.680 9.680 8.372 1.308 19817 191 1 1 . 1 1 130 130 GLU N N 130 119.760 119.760 122.846 -3.086 19817 192 1 1 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.972 0.058 19817 193 1 1 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.079 -0.279 19817 194 1 1 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.105 -0.005 19817 195 1 1 . 1 1 130 130 GLU H H 130 8.920 8.920 9.002 -0.082 19817 196 1 1 . 1 1 131 131 ASP N N 131 117.750 117.750 116.892 0.858 19817 197 1 1 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.369 0.011 19817 198 1 1 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.589 -0.289 19817 199 1 1 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.708 1.092 19817 200 1 1 . 1 1 131 131 ASP H H 131 7.830 7.830 8.756 -0.926 19817 201 1 1 . 1 1 132 132 ASP N N 132 119.880 119.880 121.033 -1.153 19817 202 1 1 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.403 -0.183 19817 203 1 1 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.197 1.002 19817 204 1 1 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.892 1.208 19817 205 1 1 . 1 1 132 132 ASP H H 132 7.570 7.570 7.655 -0.085 19817 206 1 1 . 1 1 133 133 ILE N N 133 116.580 116.580 119.644 -3.064 19817 207 1 1 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.741 -0.401 19817 208 1 1 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.243 0.257 19817 209 1 1 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.948 0.752 19817 210 1 1 . 1 1 133 133 ILE H H 133 7.180 7.180 7.374 -0.194 19817 211 1 1 . 1 1 134 134 GLU N N 134 117.740 117.740 120.804 -3.064 19817 212 1 1 . 1 1 134 134 GLU HA H 134 3.890 3.890 4.011 -0.121 19817 213 1 1 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.930 -0.330 19817 214 1 1 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.670 0.430 19817 215 1 1 . 1 1 134 134 GLU H H 134 8.150 8.150 8.210 -0.060 19817 216 1 1 . 1 1 135 135 GLU N N 135 116.300 116.300 119.302 -3.002 19817 217 1 1 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.078 0.142 19817 218 1 1 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.908 -0.008 19817 219 1 1 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.276 0.024 19817 220 1 1 . 1 1 135 135 GLU H H 135 8.430 8.430 8.793 -0.363 19817 221 1 1 . 1 1 136 136 LEU N N 136 120.700 120.700 121.154 -0.454 19817 222 1 1 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.114 0.146 19817 223 1 1 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.850 -0.450 19817 224 1 1 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.022 -0.322 19817 225 1 1 . 1 1 136 136 LEU H H 136 8.100 8.100 7.640 0.460 19817 226 1 1 . 1 1 137 137 MET N N 137 117.930 117.930 117.495 0.435 19817 227 1 1 . 1 1 137 137 MET HA H 137 4.290 4.290 4.282 0.008 19817 228 1 1 . 1 1 137 137 MET CA C 137 57.700 57.700 59.632 -1.931 19817 229 1 1 . 1 1 137 137 MET CB C 137 30.600 30.600 32.346 -1.746 19817 230 1 1 . 1 1 137 137 MET H H 137 8.180 8.180 7.826 0.354 19817 231 1 1 . 1 1 138 138 LYS N N 138 117.370 117.370 118.568 -1.198 19817 232 1 1 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.990 0.080 19817 233 1 1 . 1 1 138 138 LYS CA C 138 59.000 59.000 58.922 0.078 19817 234 1 1 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.035 0.565 19817 235 1 1 . 1 1 138 138 LYS H H 138 8.060 8.060 7.960 0.100 19817 236 1 1 . 1 1 139 139 ASP N N 139 117.330 117.330 117.225 0.105 19817 237 1 1 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.379 0.001 19817 238 1 1 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.285 0.415 19817 239 1 1 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.048 2.152 19817 240 1 1 . 1 1 139 139 ASP H H 139 7.650 7.650 7.725 -0.075 19817 241 1 1 . 1 1 140 140 GLY N N 140 101.850 101.850 104.018 -2.168 19817 242 1 1 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.578 2.623 19817 243 1 1 . 1 1 140 140 GLY H H 140 7.850 7.850 6.961 0.889 19817 244 1 1 . 1 1 141 141 ASP N N 141 120.420 120.420 122.915 -2.495 19817 245 1 1 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.653 -0.083 19817 246 1 1 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.180 -0.980 19817 247 1 1 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.805 -1.305 19817 248 1 1 . 1 1 141 141 ASP H H 141 8.500 8.500 8.265 0.235 19817 249 1 1 . 1 1 142 142 LYS N N 142 125.890 125.890 126.431 -0.541 19817 250 1 1 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.002 0.148 19817 251 1 1 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.594 -0.694 19817 252 1 1 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.142 0.858 19817 253 1 1 . 1 1 142 142 LYS H H 142 7.740 7.740 8.224 -0.484 19817 254 1 1 . 1 1 143 143 ASN N N 143 113.610 113.610 115.648 -2.038 19817 255 1 1 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.626 0.174 19817 256 1 1 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.995 -2.295 19817 257 1 1 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.234 -2.034 19817 258 1 1 . 1 1 143 143 ASN H H 143 8.120 8.120 7.947 0.173 19817 259 1 1 . 1 1 144 144 ASN N N 144 115.900 115.900 115.628 0.272 19817 260 1 1 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.507 -0.007 19817 261 1 1 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.301 0.799 19817 262 1 1 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.322 0.478 19817 263 1 1 . 1 1 144 144 ASN H H 144 7.720 7.720 8.521 -0.801 19817 264 1 1 . 1 1 145 145 ASP N N 145 118.570 118.570 117.239 1.331 19817 265 1 1 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.711 -0.001 19817 266 1 1 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.826 -0.826 19817 267 1 1 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.706 0.294 19817 268 1 1 . 1 1 145 145 ASP H H 145 8.680 8.680 8.353 0.327 19817 269 1 1 . 1 1 146 146 GLY N N 146 112.940 112.940 107.150 5.790 19817 270 1 1 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.496 0.204 19817 271 1 1 . 1 1 146 146 GLY H H 146 10.320 10.320 8.728 1.592 19817 272 1 1 . 1 1 147 147 ARG N N 147 115.440 115.440 116.664 -1.224 19817 273 1 1 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.426 -0.516 19817 274 1 1 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.321 -0.321 19817 275 1 1 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.568 0.832 19817 276 1 1 . 1 1 147 147 ARG H H 147 7.690 7.690 8.551 -0.861 19817 277 1 1 . 1 1 148 148 ILE N N 148 126.090 126.090 122.957 3.133 19817 278 1 1 . 1 1 148 148 ILE HA H 148 5.050 5.050 5.020 0.030 19817 279 1 1 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.257 2.344 19817 280 1 1 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.685 2.315 19817 281 1 1 . 1 1 148 148 ILE H H 148 9.430 9.430 9.203 0.227 19817 282 1 1 . 1 1 149 149 ASP N N 149 129.170 129.170 128.641 0.529 19817 283 1 1 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.048 0.112 19817 284 1 1 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.664 -1.164 19817 285 1 1 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.768 -1.868 19817 286 1 1 . 1 1 149 149 ASP H H 149 9.390 9.390 9.427 -0.037 19817 287 1 1 . 1 1 150 150 TYR N N 150 118.600 118.600 122.936 -4.336 19817 288 1 1 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.383 0.997 19817 289 1 1 . 1 1 150 150 TYR CA C 150 62.200 62.200 61.828 0.372 19817 290 1 1 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.124 0.076 19817 291 1 1 . 1 1 150 150 TYR H H 150 8.420 8.420 8.750 -0.330 19817 292 1 1 . 1 1 151 151 ASP N N 151 118.060 118.060 117.585 0.475 19817 293 1 1 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.250 -0.170 19817 294 1 1 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.604 0.296 19817 295 1 1 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.128 0.472 19817 296 1 1 . 1 1 151 151 ASP H H 151 7.740 7.740 8.626 -0.886 19817 297 1 1 . 1 1 152 152 GLU N N 152 120.480 120.480 120.226 0.254 19817 298 1 1 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.072 -0.042 19817 299 1 1 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.123 -0.423 19817 300 1 1 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.803 -0.103 19817 301 1 1 . 1 1 152 152 GLU H H 152 8.880 8.880 8.003 0.877 19817 302 1 1 . 1 1 153 153 PHE N N 153 124.990 124.990 120.775 4.215 19817 303 1 1 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.260 -0.260 19817 304 1 1 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.515 0.285 19817 305 1 1 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.398 0.402 19817 306 1 1 . 1 1 153 153 PHE H H 153 9.280 9.280 8.563 0.717 19817 307 1 1 . 1 1 154 154 LEU N N 154 117.780 117.780 118.257 -0.477 19817 308 1 1 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.892 -0.242 19817 309 1 1 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.911 0.289 19817 310 1 1 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.945 0.455 19817 311 1 1 . 1 1 154 154 LEU H H 154 7.880 7.880 8.166 -0.286 19817 312 1 1 . 1 1 155 155 GLU N N 155 116.556 116.556 119.270 -2.714 19817 313 1 1 . 1 1 155 155 GLU HA H 155 4.050 4.050 4.049 0.001 19817 314 1 1 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.755 0.145 19817 315 1 1 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.646 0.854 19817 316 1 1 . 1 1 155 155 GLU H H 155 6.910 6.910 7.732 -0.822 19817 317 1 1 . 1 1 156 156 PHE N N 156 121.800 121.800 118.766 3.034 19817 318 1 1 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.086 0.034 19817 319 1 1 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.074 -2.474 19817 320 1 1 . 1 1 156 156 PHE CB C 156 40.900 40.900 39.123 1.777 19817 321 1 1 . 1 1 156 156 PHE H H 156 8.610 8.610 7.661 0.949 19817 322 1 1 . 1 1 157 157 MET N N 157 111.800 111.800 113.135 -1.335 19817 323 1 1 . 1 1 157 157 MET HA H 157 4.360 4.360 4.721 -0.361 19817 324 1 1 . 1 1 157 157 MET CA C 157 53.300 53.300 54.118 -0.819 19817 325 1 1 . 1 1 157 157 MET CB C 157 32.500 32.500 31.667 0.833 19817 326 1 1 . 1 1 157 157 MET H H 157 7.490 7.490 7.913 -0.423 19817 327 1 1 . 1 1 158 158 LYS N N 158 121.970 121.970 121.431 0.539 19817 328 1 1 . 1 1 158 158 LYS HA H 158 3.950 3.950 3.906 0.044 19817 329 1 1 . 1 1 158 158 LYS CA C 158 59.300 59.300 60.220 -0.920 19817 330 1 1 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.541 -0.141 19817 331 1 1 . 1 1 158 158 LYS H H 158 7.110 7.110 7.789 -0.679 19817 332 1 1 . 1 1 159 159 ASP N N 159 116.800 116.800 117.358 -0.558 19817 333 1 1 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.569 -0.129 19817 334 1 1 . 1 1 159 159 ASP CA C 159 54.900 54.900 55.844 -0.944 19817 335 1 1 . 1 1 159 159 ASP CB C 159 40.400 40.400 41.000 -0.600 19817 336 1 1 . 1 1 159 159 ASP H H 159 8.470 8.470 8.385 0.085 19817 337 1 1 . 1 1 160 160 VAL N N 160 119.800 119.800 117.125 2.675 19817 338 1 1 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.712 0.078 19817 339 1 1 . 1 1 160 160 VAL CA C 160 63.300 63.300 63.342 -0.042 19817 340 1 1 . 1 1 160 160 VAL CB C 160 32.100 32.100 30.076 2.024 19817 341 1 1 . 1 1 160 160 VAL H H 160 7.270 7.270 8.205 -0.935 19817 342 1 2 . 1 1 91 91 GLY N N 91 123.830 123.830 110.849 12.981 19817 343 1 2 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.024 -0.024 19817 344 1 2 . 1 1 91 91 GLY H H 91 6.020 6.020 9.072 -3.052 19817 345 1 2 . 1 1 92 92 LYS N N 92 121.100 121.100 117.650 3.450 19817 346 1 2 . 1 1 92 92 LYS HA H 92 4.430 4.430 3.760 0.670 19817 347 1 2 . 1 1 92 92 LYS CA C 92 56.000 56.000 57.511 -1.511 19817 348 1 2 . 1 1 92 92 LYS CB C 92 33.800 33.800 30.336 3.464 19817 349 1 2 . 1 1 92 92 LYS H H 92 8.610 8.610 8.514 0.096 19817 350 1 2 . 1 1 93 93 SER N N 93 117.190 117.190 114.823 2.367 19817 351 1 2 . 1 1 93 93 SER HA H 93 4.470 4.470 4.660 -0.190 19817 352 1 2 . 1 1 93 93 SER CA C 93 58.100 58.100 57.020 1.081 19817 353 1 2 . 1 1 93 93 SER CB C 93 65.000 65.000 66.102 -1.102 19817 354 1 2 . 1 1 93 93 SER H H 93 8.760 8.760 8.998 -0.238 19817 355 1 2 . 1 1 94 94 GLU N N 94 122.350 122.350 124.550 -2.200 19817 356 1 2 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.025 -0.025 19817 357 1 2 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.035 -0.035 19817 358 1 2 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.355 -0.255 19817 359 1 2 . 1 1 94 94 GLU H H 94 8.890 8.890 9.146 -0.256 19817 360 1 2 . 1 1 95 95 GLU N N 95 119.160 119.160 118.507 0.653 19817 361 1 2 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.086 0.004 19817 362 1 2 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.072 0.628 19817 363 1 2 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.904 0.296 19817 364 1 2 . 1 1 95 95 GLU H H 95 8.610 8.610 9.010 -0.400 19817 365 1 2 . 1 1 96 96 GLU N N 96 120.300 120.300 120.181 0.119 19817 366 1 2 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.156 0.134 19817 367 1 2 . 1 1 96 96 GLU CA C 96 59.000 59.000 58.866 0.134 19817 368 1 2 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.365 0.835 19817 369 1 2 . 1 1 96 96 GLU H H 96 7.930 7.930 7.853 0.077 19817 370 1 2 . 1 1 97 97 LEU N N 97 119.340 119.340 119.598 -0.258 19817 371 1 2 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.299 -0.029 19817 372 1 2 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.691 0.809 19817 373 1 2 . 1 1 97 97 LEU CB C 97 41.900 41.900 42.046 -0.146 19817 374 1 2 . 1 1 97 97 LEU H H 97 8.520 8.520 7.647 0.873 19817 375 1 2 . 1 1 98 98 SER N N 98 115.800 115.800 115.079 0.721 19817 376 1 2 . 1 1 98 98 SER HA H 98 4.280 4.280 4.475 -0.195 19817 377 1 2 . 1 1 98 98 SER CA C 98 62.300 62.300 61.926 0.374 19817 378 1 2 . 1 1 98 98 SER CB C 98 62.500 62.500 62.458 0.042 19817 379 1 2 . 1 1 98 98 SER H H 98 8.700 8.700 8.316 0.384 19817 380 1 2 . 1 1 99 99 ASP N N 99 121.600 121.600 122.832 -1.232 19817 381 1 2 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.456 0.244 19817 382 1 2 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.401 1.099 19817 383 1 2 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.045 0.355 19817 384 1 2 . 1 1 99 99 ASP H H 99 7.510 7.510 7.837 -0.327 19817 385 1 2 . 1 1 100 100 LEU N N 100 117.900 117.900 119.814 -1.914 19817 386 1 2 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.104 0.046 19817 387 1 2 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.559 0.741 19817 388 1 2 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.171 -0.571 19817 389 1 2 . 1 1 100 100 LEU H H 100 8.170 8.170 7.692 0.478 19817 390 1 2 . 1 1 101 101 PHE N N 101 120.490 120.490 120.762 -0.272 19817 391 1 2 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.774 1.496 19817 392 1 2 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.321 0.879 19817 393 1 2 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.371 0.829 19817 394 1 2 . 1 1 101 101 PHE H H 101 8.760 8.760 8.465 0.295 19817 395 1 2 . 1 1 102 102 ARG N N 102 115.520 115.520 118.014 -2.494 19817 396 1 2 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.953 0.017 19817 397 1 2 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.617 -0.417 19817 398 1 2 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.969 0.431 19817 399 1 2 . 1 1 102 102 ARG H H 102 7.470 7.470 8.521 -1.051 19817 400 1 2 . 1 1 103 103 MET N N 103 114.150 114.150 116.380 -2.230 19817 401 1 2 . 1 1 103 103 MET HA H 103 4.370 4.370 4.107 0.263 19817 402 1 2 . 1 1 103 103 MET CA C 103 55.900 55.900 57.080 -1.180 19817 403 1 2 . 1 1 103 103 MET CB C 103 34.300 34.300 31.588 2.712 19817 404 1 2 . 1 1 103 103 MET H H 103 7.590 7.590 7.370 0.220 19817 405 1 2 . 1 1 104 104 PHE N N 104 115.060 115.060 119.025 -3.965 19817 406 1 2 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.409 -0.119 19817 407 1 2 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.823 -0.423 19817 408 1 2 . 1 1 104 104 PHE CB C 104 41.700 41.700 38.921 2.779 19817 409 1 2 . 1 1 104 104 PHE H H 104 7.380 7.380 7.347 0.033 19817 410 1 2 . 1 1 105 105 ASP N N 105 116.710 116.710 119.204 -2.494 19817 411 1 2 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.592 -0.172 19817 412 1 2 . 1 1 105 105 ASP CA C 105 52.400 52.400 55.465 -3.064 19817 413 1 2 . 1 1 105 105 ASP CB C 105 39.000 39.000 42.068 -3.068 19817 414 1 2 . 1 1 105 105 ASP H H 105 7.270 7.270 7.915 -0.645 19817 415 1 2 . 1 1 106 106 LYS N N 106 124.270 124.270 122.725 1.545 19817 416 1 2 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.387 -0.357 19817 417 1 2 . 1 1 106 106 LYS C C 106 113.428 113.428 177.904 -64.476 19817 418 1 2 . 1 1 106 106 LYS CA C 106 58.200 58.200 56.545 1.655 19817 419 1 2 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.840 -0.940 19817 420 1 2 . 1 1 106 106 LYS H H 106 7.510 7.510 9.120 -1.610 19817 421 1 2 . 1 1 107 107 ASN N N 107 113.600 113.600 116.909 -3.309 19817 422 1 2 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.877 -0.147 19817 423 1 2 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.243 -1.543 19817 424 1 2 . 1 1 107 107 ASN CB C 107 36.900 36.900 39.128 -2.228 19817 425 1 2 . 1 1 107 107 ASN H H 107 8.000 8.000 7.931 0.069 19817 426 1 2 . 1 1 108 108 ALA N N 108 121.600 121.600 121.495 0.105 19817 427 1 2 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.108 -0.038 19817 428 1 2 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.347 -0.047 19817 429 1 2 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.604 0.496 19817 430 1 2 . 1 1 108 108 ALA H H 108 7.810 7.810 8.259 -0.449 19817 431 1 2 . 1 1 109 109 ASP N N 109 118.480 118.480 117.241 1.239 19817 432 1 2 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.703 -0.003 19817 433 1 2 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.746 -0.546 19817 434 1 2 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.218 -0.218 19817 435 1 2 . 1 1 109 109 ASP H H 109 8.520 8.520 8.271 0.249 19817 436 1 2 . 1 1 110 110 GLY N N 110 112.250 112.250 106.530 5.720 19817 437 1 2 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.241 -0.241 19817 438 1 2 . 1 1 110 110 GLY H H 110 10.400 10.400 8.540 1.860 19817 439 1 2 . 1 1 111 111 TYR N N 111 115.590 115.590 118.922 -3.332 19817 440 1 2 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.267 -0.097 19817 441 1 2 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.034 -0.934 19817 442 1 2 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.456 1.644 19817 443 1 2 . 1 1 111 111 TYR H H 111 8.000 8.000 8.578 -0.578 19817 444 1 2 . 1 1 112 112 ILE N N 112 125.560 125.560 124.664 0.896 19817 445 1 2 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.061 0.699 19817 446 1 2 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.047 -0.448 19817 447 1 2 . 1 1 112 112 ILE CB C 112 39.000 39.000 37.798 1.202 19817 448 1 2 . 1 1 112 112 ILE H H 112 9.830 9.830 9.189 0.641 19817 449 1 2 . 1 1 113 113 ASP N N 113 128.350 128.350 126.820 1.530 19817 450 1 2 . 1 1 113 113 ASP HA H 113 4.960 4.960 4.924 0.036 19817 451 1 2 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.891 -1.891 19817 452 1 2 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.672 -1.472 19817 453 1 2 . 1 1 113 113 ASP H H 113 9.030 9.030 8.217 0.813 19817 454 1 2 . 1 1 114 114 LEU N N 114 118.300 118.300 124.017 -5.717 19817 455 1 2 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.006 -0.026 19817 456 1 2 . 1 1 114 114 LEU CA C 114 58.800 58.800 59.004 -0.204 19817 457 1 2 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.380 0.220 19817 458 1 2 . 1 1 114 114 LEU H H 114 8.530 8.530 8.928 -0.398 19817 459 1 2 . 1 1 115 115 ASP N N 115 118.300 118.300 116.860 1.440 19817 460 1 2 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.302 0.068 19817 461 1 2 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.394 -0.394 19817 462 1 2 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.642 -0.002 19817 463 1 2 . 1 1 115 115 ASP H H 115 7.920 7.920 8.838 -0.918 19817 464 1 2 . 1 1 116 116 GLU N N 116 121.400 121.400 119.710 1.690 19817 465 1 2 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.037 0.593 19817 466 1 2 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.929 -0.429 19817 467 1 2 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.473 -0.073 19817 468 1 2 . 1 1 116 116 GLU H H 116 8.670 8.670 7.557 1.113 19817 469 1 2 . 1 1 117 117 LEU N N 117 121.200 121.200 121.027 0.173 19817 470 1 2 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.100 -0.110 19817 471 1 2 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.504 0.956 19817 472 1 2 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.142 -0.092 19817 473 1 2 . 1 1 117 117 LEU H H 117 8.670 8.670 8.379 0.291 19817 474 1 2 . 1 1 118 118 LYS N N 118 118.800 118.800 118.797 0.003 19817 475 1 2 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.896 -0.076 19817 476 1 2 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.964 1.336 19817 477 1 2 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.965 0.535 19817 478 1 2 . 1 1 118 118 LYS H H 118 8.610 8.610 7.896 0.714 19817 479 1 2 . 1 1 119 119 ILE N N 119 119.400 119.400 119.059 0.341 19817 480 1 2 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.756 0.054 19817 481 1 2 . 1 1 119 119 ILE CA C 119 65.100 65.100 63.999 1.101 19817 482 1 2 . 1 1 119 119 ILE CB C 119 38.200 38.200 36.903 1.297 19817 483 1 2 . 1 1 119 119 ILE H H 119 8.180 8.180 7.405 0.775 19817 484 1 2 . 1 1 120 120 MET N N 120 119.340 119.340 117.722 1.618 19817 485 1 2 . 1 1 120 120 MET HA H 120 3.360 3.360 3.970 -0.610 19817 486 1 2 . 1 1 120 120 MET CA C 120 57.100 57.100 59.234 -2.134 19817 487 1 2 . 1 1 120 120 MET CB C 120 31.600 31.600 32.206 -0.606 19817 488 1 2 . 1 1 120 120 MET H H 120 7.500 7.500 7.287 0.213 19817 489 1 2 . 1 1 121 121 LEU N N 121 117.920 117.920 120.069 -2.149 19817 490 1 2 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.229 -0.199 19817 491 1 2 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.380 0.220 19817 492 1 2 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.661 1.039 19817 493 1 2 . 1 1 121 121 LEU H H 121 8.520 8.520 7.715 0.805 19817 494 1 2 . 1 1 122 122 GLN N N 122 120.780 120.780 118.416 2.364 19817 495 1 2 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.957 0.153 19817 496 1 2 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.254 0.546 19817 497 1 2 . 1 1 122 122 GLN CB C 122 28.000 28.000 27.753 0.247 19817 498 1 2 . 1 1 122 122 GLN H H 122 8.810 8.810 8.145 0.665 19817 499 1 2 . 1 1 123 123 ALA N N 123 121.220 121.220 121.108 0.112 19817 500 1 2 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.128 0.172 19817 501 1 2 . 1 1 123 123 ALA CA C 123 53.600 53.600 55.059 -1.459 19817 502 1 2 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.369 0.131 19817 503 1 2 . 1 1 123 123 ALA H H 123 7.580 7.580 7.504 0.076 19817 504 1 2 . 1 1 124 124 THR N N 124 106.720 106.720 110.325 -3.605 19817 505 1 2 . 1 1 124 124 THR HA H 124 4.050 4.050 4.121 -0.071 19817 506 1 2 . 1 1 124 124 THR CA C 124 64.200 64.200 63.164 1.036 19817 507 1 2 . 1 1 124 124 THR CB C 124 71.300 71.300 69.262 2.038 19817 508 1 2 . 1 1 124 124 THR H H 124 7.490 7.490 7.532 -0.042 19817 509 1 2 . 1 1 125 125 GLY N N 125 108.350 108.350 110.655 -2.305 19817 510 1 2 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.774 0.826 19817 511 1 2 . 1 1 125 125 GLY H H 125 7.680 7.680 7.638 0.042 19817 512 1 2 . 1 1 126 126 GLU N N 126 120.100 120.100 122.016 -1.916 19817 513 1 2 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.319 -0.039 19817 514 1 2 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.415 -1.215 19817 515 1 2 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.160 0.840 19817 516 1 2 . 1 1 126 126 GLU H H 126 7.500 7.500 8.382 -0.882 19817 517 1 2 . 1 1 127 127 THR N N 127 119.830 119.830 118.705 1.125 19817 518 1 2 . 1 1 127 127 THR HA H 127 4.170 4.170 4.369 -0.199 19817 519 1 2 . 1 1 127 127 THR CA C 127 63.700 63.700 62.622 1.078 19817 520 1 2 . 1 1 127 127 THR CB C 127 68.800 68.800 68.992 -0.191 19817 521 1 2 . 1 1 127 127 THR H H 127 8.650 8.650 8.366 0.284 19817 522 1 2 . 1 1 128 128 ILE N N 128 128.630 128.630 126.199 2.431 19817 523 1 2 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.397 0.243 19817 524 1 2 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.464 -1.764 19817 525 1 2 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.200 -2.000 19817 526 1 2 . 1 1 128 128 ILE H H 128 8.370 8.370 8.312 0.058 19817 527 1 2 . 1 1 129 129 THR N N 129 119.830 119.830 114.715 5.115 19817 528 1 2 . 1 1 129 129 THR HA H 129 4.750 4.750 4.506 0.244 19817 529 1 2 . 1 1 129 129 THR CA C 129 59.700 59.700 60.598 -0.898 19817 530 1 2 . 1 1 129 129 THR CB C 129 72.300 72.300 70.858 1.442 19817 531 1 2 . 1 1 129 129 THR H H 129 9.680 9.680 8.256 1.424 19817 532 1 2 . 1 1 130 130 GLU N N 130 119.760 119.760 120.689 -0.929 19817 533 1 2 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.926 0.104 19817 534 1 2 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.376 0.424 19817 535 1 2 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.702 0.398 19817 536 1 2 . 1 1 130 130 GLU H H 130 8.920 8.920 8.901 0.019 19817 537 1 2 . 1 1 131 131 ASP N N 131 117.750 117.750 120.601 -2.851 19817 538 1 2 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.301 0.079 19817 539 1 2 . 1 1 131 131 ASP CA C 131 57.300 57.300 58.075 -0.775 19817 540 1 2 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.383 0.417 19817 541 1 2 . 1 1 131 131 ASP H H 131 7.830 7.830 8.129 -0.299 19817 542 1 2 . 1 1 132 132 ASP N N 132 119.880 119.880 120.113 -0.233 19817 543 1 2 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.459 -0.239 19817 544 1 2 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.977 1.223 19817 545 1 2 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.986 1.114 19817 546 1 2 . 1 1 132 132 ASP H H 132 7.570 7.570 7.601 -0.031 19817 547 1 2 . 1 1 133 133 ILE N N 133 116.580 116.580 120.214 -3.634 19817 548 1 2 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.600 -0.260 19817 549 1 2 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.275 0.225 19817 550 1 2 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.889 0.811 19817 551 1 2 . 1 1 133 133 ILE H H 133 7.180 7.180 7.349 -0.169 19817 552 1 2 . 1 1 134 134 GLU N N 134 117.740 117.740 119.693 -1.953 19817 553 1 2 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.910 -0.020 19817 554 1 2 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.040 -0.440 19817 555 1 2 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.522 0.578 19817 556 1 2 . 1 1 134 134 GLU H H 134 8.150 8.150 8.824 -0.674 19817 557 1 2 . 1 1 135 135 GLU N N 135 116.300 116.300 119.620 -3.320 19817 558 1 2 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.050 0.170 19817 559 1 2 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.844 0.056 19817 560 1 2 . 1 1 135 135 GLU CB C 135 29.300 29.300 28.892 0.408 19817 561 1 2 . 1 1 135 135 GLU H H 135 8.430 8.430 7.650 0.780 19817 562 1 2 . 1 1 136 136 LEU N N 136 120.700 120.700 121.102 -0.402 19817 563 1 2 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.138 0.122 19817 564 1 2 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.917 -0.517 19817 565 1 2 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.584 0.116 19817 566 1 2 . 1 1 136 136 LEU H H 136 8.100 8.100 7.585 0.515 19817 567 1 2 . 1 1 137 137 MET N N 137 117.930 117.930 117.888 0.042 19817 568 1 2 . 1 1 137 137 MET HA H 137 4.290 4.290 4.120 0.170 19817 569 1 2 . 1 1 137 137 MET CA C 137 57.700 57.700 59.679 -1.979 19817 570 1 2 . 1 1 137 137 MET CB C 137 30.600 30.600 32.398 -1.798 19817 571 1 2 . 1 1 137 137 MET H H 137 8.180 8.180 8.365 -0.185 19817 572 1 2 . 1 1 138 138 LYS N N 138 117.370 117.370 119.331 -1.961 19817 573 1 2 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.957 0.113 19817 574 1 2 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.730 -0.730 19817 575 1 2 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.046 0.554 19817 576 1 2 . 1 1 138 138 LYS H H 138 8.060 8.060 8.508 -0.448 19817 577 1 2 . 1 1 139 139 ASP N N 139 117.330 117.330 118.015 -0.685 19817 578 1 2 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.382 -0.002 19817 579 1 2 . 1 1 139 139 ASP CA C 139 56.700 56.700 57.068 -0.368 19817 580 1 2 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.727 2.473 19817 581 1 2 . 1 1 139 139 ASP H H 139 7.650 7.650 7.709 -0.059 19817 582 1 2 . 1 1 140 140 GLY N N 140 101.850 101.850 106.089 -4.239 19817 583 1 2 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.054 1.146 19817 584 1 2 . 1 1 140 140 GLY H H 140 7.850 7.850 7.285 0.565 19817 585 1 2 . 1 1 141 141 ASP N N 141 120.420 120.420 122.732 -2.312 19817 586 1 2 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.967 -0.397 19817 587 1 2 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.346 -0.146 19817 588 1 2 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.469 0.031 19817 589 1 2 . 1 1 141 141 ASP H H 141 8.500 8.500 8.699 -0.199 19817 590 1 2 . 1 1 142 142 LYS N N 142 125.890 125.890 121.843 4.047 19817 591 1 2 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.019 0.131 19817 592 1 2 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.212 -0.312 19817 593 1 2 . 1 1 142 142 LYS CB C 142 33.000 33.000 31.765 1.235 19817 594 1 2 . 1 1 142 142 LYS H H 142 7.740 7.740 8.388 -0.648 19817 595 1 2 . 1 1 143 143 ASN N N 143 113.610 113.610 116.039 -2.429 19817 596 1 2 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.536 0.264 19817 597 1 2 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.937 -2.237 19817 598 1 2 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.758 -1.558 19817 599 1 2 . 1 1 143 143 ASN H H 143 8.120 8.120 8.021 0.099 19817 600 1 2 . 1 1 144 144 ASN N N 144 115.900 115.900 115.412 0.488 19817 601 1 2 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.589 -0.089 19817 602 1 2 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.325 0.775 19817 603 1 2 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.212 0.588 19817 604 1 2 . 1 1 144 144 ASN H H 144 7.720 7.720 8.246 -0.526 19817 605 1 2 . 1 1 145 145 ASP N N 145 118.570 118.570 117.447 1.123 19817 606 1 2 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.741 -0.031 19817 607 1 2 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.363 -0.363 19817 608 1 2 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.570 0.430 19817 609 1 2 . 1 1 145 145 ASP H H 145 8.680 8.680 8.587 0.093 19817 610 1 2 . 1 1 146 146 GLY N N 146 112.940 112.940 108.979 3.961 19817 611 1 2 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.671 0.029 19817 612 1 2 . 1 1 146 146 GLY H H 146 10.320 10.320 8.688 1.632 19817 613 1 2 . 1 1 147 147 ARG N N 147 115.440 115.440 118.402 -2.962 19817 614 1 2 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.704 0.206 19817 615 1 2 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.456 -0.456 19817 616 1 2 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.303 1.097 19817 617 1 2 . 1 1 147 147 ARG H H 147 7.690 7.690 8.318 -0.628 19817 618 1 2 . 1 1 148 148 ILE N N 148 126.090 126.090 124.867 1.223 19817 619 1 2 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.723 0.327 19817 620 1 2 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.955 1.645 19817 621 1 2 . 1 1 148 148 ILE CB C 148 40.000 40.000 36.761 3.239 19817 622 1 2 . 1 1 148 148 ILE H H 148 9.430 9.430 9.057 0.373 19817 623 1 2 . 1 1 149 149 ASP N N 149 129.170 129.170 128.961 0.209 19817 624 1 2 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.990 0.170 19817 625 1 2 . 1 1 149 149 ASP CA C 149 52.500 52.500 54.277 -1.777 19817 626 1 2 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.204 -1.304 19817 627 1 2 . 1 1 149 149 ASP H H 149 9.390 9.390 9.454 -0.064 19817 628 1 2 . 1 1 150 150 TYR N N 150 118.600 118.600 122.374 -3.774 19817 629 1 2 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.922 -0.542 19817 630 1 2 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.934 -0.734 19817 631 1 2 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.054 0.146 19817 632 1 2 . 1 1 150 150 TYR H H 150 8.420 8.420 8.902 -0.482 19817 633 1 2 . 1 1 151 151 ASP N N 151 118.060 118.060 118.427 -0.367 19817 634 1 2 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.395 -0.315 19817 635 1 2 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.726 -0.826 19817 636 1 2 . 1 1 151 151 ASP CB C 151 40.600 40.600 39.882 0.718 19817 637 1 2 . 1 1 151 151 ASP H H 151 7.740 7.740 8.920 -1.180 19817 638 1 2 . 1 1 152 152 GLU N N 152 120.480 120.480 120.265 0.215 19817 639 1 2 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.080 -0.050 19817 640 1 2 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.344 -0.645 19817 641 1 2 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.517 0.183 19817 642 1 2 . 1 1 152 152 GLU H H 152 8.880 8.880 8.494 0.386 19817 643 1 2 . 1 1 153 153 PHE N N 153 124.990 124.990 121.217 3.773 19817 644 1 2 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.488 -0.488 19817 645 1 2 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.707 0.093 19817 646 1 2 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.395 0.405 19817 647 1 2 . 1 1 153 153 PHE H H 153 9.280 9.280 8.557 0.723 19817 648 1 2 . 1 1 154 154 LEU N N 154 117.780 117.780 118.939 -1.159 19817 649 1 2 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.892 -0.242 19817 650 1 2 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.860 0.340 19817 651 1 2 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.533 -0.133 19817 652 1 2 . 1 1 154 154 LEU H H 154 7.880 7.880 8.451 -0.571 19817 653 1 2 . 1 1 155 155 GLU N N 155 116.556 116.556 118.669 -2.113 19817 654 1 2 . 1 1 155 155 GLU HA H 155 4.050 4.050 4.015 0.035 19817 655 1 2 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.968 -0.068 19817 656 1 2 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.973 0.527 19817 657 1 2 . 1 1 155 155 GLU H H 155 6.910 6.910 8.302 -1.392 19817 658 1 2 . 1 1 156 156 PHE N N 156 121.800 121.800 119.362 2.438 19817 659 1 2 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.159 -0.039 19817 660 1 2 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.152 -2.552 19817 661 1 2 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.733 2.167 19817 662 1 2 . 1 1 156 156 PHE H H 156 8.610 8.610 7.853 0.757 19817 663 1 2 . 1 1 157 157 MET N N 157 111.800 111.800 115.529 -3.729 19817 664 1 2 . 1 1 157 157 MET HA H 157 4.360 4.360 4.535 -0.175 19817 665 1 2 . 1 1 157 157 MET CA C 157 53.300 53.300 55.348 -2.048 19817 666 1 2 . 1 1 157 157 MET CB C 157 32.500 32.500 33.239 -0.739 19817 667 1 2 . 1 1 157 157 MET H H 157 7.490 7.490 7.558 -0.068 19817 668 1 2 . 1 1 158 158 LYS N N 158 121.970 121.970 120.837 1.133 19817 669 1 2 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.251 -0.301 19817 670 1 2 . 1 1 158 158 LYS CA C 158 59.300 59.300 56.657 2.643 19817 671 1 2 . 1 1 158 158 LYS CB C 158 32.400 32.400 30.433 1.967 19817 672 1 2 . 1 1 158 158 LYS H H 158 7.110 7.110 7.870 -0.760 19817 673 1 2 . 1 1 159 159 ASP N N 159 116.800 116.800 120.098 -3.298 19817 674 1 2 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.192 0.248 19817 675 1 2 . 1 1 159 159 ASP CA C 159 54.900 54.900 56.601 -1.701 19817 676 1 2 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.497 -0.097 19817 677 1 2 . 1 1 159 159 ASP H H 159 8.470 8.470 8.632 -0.162 19817 678 1 2 . 1 1 160 160 VAL N N 160 119.800 119.800 117.419 2.381 19817 679 1 2 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.665 0.125 19817 680 1 2 . 1 1 160 160 VAL CA C 160 63.300 63.300 63.243 0.056 19817 681 1 2 . 1 1 160 160 VAL CB C 160 32.100 32.100 30.053 2.047 19817 682 1 2 . 1 1 160 160 VAL H H 160 7.270 7.270 8.252 -0.982 19817 683 1 3 . 1 1 91 91 GLY N N 91 123.830 123.830 110.218 13.612 19817 684 1 3 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.544 -0.544 19817 685 1 3 . 1 1 91 91 GLY H H 91 6.020 6.020 9.028 -3.008 19817 686 1 3 . 1 1 92 92 LYS N N 92 121.100 121.100 122.172 -1.072 19817 687 1 3 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.099 0.331 19817 688 1 3 . 1 1 92 92 LYS CA C 92 56.000 56.000 57.776 -1.776 19817 689 1 3 . 1 1 92 92 LYS CB C 92 33.800 33.800 32.816 0.984 19817 690 1 3 . 1 1 92 92 LYS H H 92 8.610 8.610 8.135 0.475 19817 691 1 3 . 1 1 93 93 SER N N 93 117.190 117.190 115.061 2.129 19817 692 1 3 . 1 1 93 93 SER HA H 93 4.470 4.470 4.698 -0.228 19817 693 1 3 . 1 1 93 93 SER CA C 93 58.100 58.100 56.679 1.421 19817 694 1 3 . 1 1 93 93 SER CB C 93 65.000 65.000 65.769 -0.769 19817 695 1 3 . 1 1 93 93 SER H H 93 8.760 8.760 8.023 0.737 19817 696 1 3 . 1 1 94 94 GLU N N 94 122.350 122.350 126.134 -3.784 19817 697 1 3 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.070 -0.070 19817 698 1 3 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.821 0.179 19817 699 1 3 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.336 -0.236 19817 700 1 3 . 1 1 94 94 GLU H H 94 8.890 8.890 9.097 -0.207 19817 701 1 3 . 1 1 95 95 GLU N N 95 119.160 119.160 120.188 -1.028 19817 702 1 3 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.033 0.057 19817 703 1 3 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.795 -0.095 19817 704 1 3 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.251 -0.051 19817 705 1 3 . 1 1 95 95 GLU H H 95 8.610 8.610 8.942 -0.332 19817 706 1 3 . 1 1 96 96 GLU N N 96 120.300 120.300 119.603 0.697 19817 707 1 3 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.129 0.161 19817 708 1 3 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.113 -0.113 19817 709 1 3 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.583 0.617 19817 710 1 3 . 1 1 96 96 GLU H H 96 7.930 7.930 7.673 0.257 19817 711 1 3 . 1 1 97 97 LEU N N 97 119.340 119.340 120.669 -1.329 19817 712 1 3 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.270 0.000 19817 713 1 3 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.154 0.346 19817 714 1 3 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.947 -0.047 19817 715 1 3 . 1 1 97 97 LEU H H 97 8.520 8.520 7.849 0.671 19817 716 1 3 . 1 1 98 98 SER N N 98 115.800 115.800 116.178 -0.378 19817 717 1 3 . 1 1 98 98 SER HA H 98 4.280 4.280 4.137 0.143 19817 718 1 3 . 1 1 98 98 SER CA C 98 62.300 62.300 62.662 -0.362 19817 719 1 3 . 1 1 98 98 SER CB C 98 62.500 62.500 62.689 -0.189 19817 720 1 3 . 1 1 98 98 SER H H 98 8.700 8.700 9.004 -0.304 19817 721 1 3 . 1 1 99 99 ASP N N 99 121.600 121.600 122.550 -0.950 19817 722 1 3 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.497 0.203 19817 723 1 3 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.480 1.020 19817 724 1 3 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.054 0.346 19817 725 1 3 . 1 1 99 99 ASP H H 99 7.510 7.510 7.923 -0.413 19817 726 1 3 . 1 1 100 100 LEU N N 100 117.900 117.900 121.221 -3.321 19817 727 1 3 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.273 -0.123 19817 728 1 3 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.884 0.416 19817 729 1 3 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.485 0.115 19817 730 1 3 . 1 1 100 100 LEU H H 100 8.170 8.170 8.413 -0.243 19817 731 1 3 . 1 1 101 101 PHE N N 101 120.490 120.490 120.084 0.406 19817 732 1 3 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.702 1.568 19817 733 1 3 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.824 0.376 19817 734 1 3 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.794 0.406 19817 735 1 3 . 1 1 101 101 PHE H H 101 8.760 8.760 8.990 -0.230 19817 736 1 3 . 1 1 102 102 ARG N N 102 115.520 115.520 117.570 -2.050 19817 737 1 3 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.980 -0.010 19817 738 1 3 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.327 -0.127 19817 739 1 3 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.114 0.286 19817 740 1 3 . 1 1 102 102 ARG H H 102 7.470 7.470 7.788 -0.318 19817 741 1 3 . 1 1 103 103 MET N N 103 114.150 114.150 115.918 -1.768 19817 742 1 3 . 1 1 103 103 MET HA H 103 4.370 4.370 4.126 0.244 19817 743 1 3 . 1 1 103 103 MET CA C 103 55.900 55.900 58.366 -2.466 19817 744 1 3 . 1 1 103 103 MET CB C 103 34.300 34.300 32.676 1.624 19817 745 1 3 . 1 1 103 103 MET H H 103 7.590 7.590 7.382 0.208 19817 746 1 3 . 1 1 104 104 PHE N N 104 115.060 115.060 117.332 -2.272 19817 747 1 3 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.265 0.025 19817 748 1 3 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.447 -0.047 19817 749 1 3 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.204 2.496 19817 750 1 3 . 1 1 104 104 PHE H H 104 7.380 7.380 7.343 0.037 19817 751 1 3 . 1 1 105 105 ASP N N 105 116.710 116.710 118.295 -1.585 19817 752 1 3 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.890 -0.470 19817 753 1 3 . 1 1 105 105 ASP CA C 105 52.400 52.400 53.027 -0.627 19817 754 1 3 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.266 -1.266 19817 755 1 3 . 1 1 105 105 ASP H H 105 7.270 7.270 8.207 -0.937 19817 756 1 3 . 1 1 106 106 LYS N N 106 124.270 124.270 126.937 -2.667 19817 757 1 3 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.079 -0.049 19817 758 1 3 . 1 1 106 106 LYS C C 106 113.428 113.428 177.788 -64.360 19817 759 1 3 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.336 -0.136 19817 760 1 3 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.115 0.785 19817 761 1 3 . 1 1 106 106 LYS H H 106 7.510 7.510 8.211 -0.701 19817 762 1 3 . 1 1 107 107 ASN N N 107 113.600 113.600 115.597 -1.997 19817 763 1 3 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.681 0.049 19817 764 1 3 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.756 -1.056 19817 765 1 3 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.928 -2.028 19817 766 1 3 . 1 1 107 107 ASN H H 107 8.000 8.000 8.175 -0.175 19817 767 1 3 . 1 1 108 108 ALA N N 108 121.600 121.600 119.473 2.127 19817 768 1 3 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.127 -0.057 19817 769 1 3 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.119 0.181 19817 770 1 3 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.437 0.663 19817 771 1 3 . 1 1 108 108 ALA H H 108 7.810 7.810 7.390 0.420 19817 772 1 3 . 1 1 109 109 ASP N N 109 118.480 118.480 116.936 1.544 19817 773 1 3 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.571 0.129 19817 774 1 3 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.467 -0.267 19817 775 1 3 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.249 -0.249 19817 776 1 3 . 1 1 109 109 ASP H H 109 8.520 8.520 8.105 0.415 19817 777 1 3 . 1 1 110 110 GLY N N 110 112.250 112.250 106.679 5.571 19817 778 1 3 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.119 -0.119 19817 779 1 3 . 1 1 110 110 GLY H H 110 10.400 10.400 8.876 1.524 19817 780 1 3 . 1 1 111 111 TYR N N 111 115.590 115.590 118.413 -2.823 19817 781 1 3 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.364 -0.194 19817 782 1 3 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.553 -0.454 19817 783 1 3 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.189 1.911 19817 784 1 3 . 1 1 111 111 TYR H H 111 8.000 8.000 8.527 -0.527 19817 785 1 3 . 1 1 112 112 ILE N N 112 125.560 125.560 124.487 1.073 19817 786 1 3 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.322 0.438 19817 787 1 3 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.202 -0.602 19817 788 1 3 . 1 1 112 112 ILE CB C 112 39.000 39.000 37.957 1.043 19817 789 1 3 . 1 1 112 112 ILE H H 112 9.830 9.830 9.300 0.530 19817 790 1 3 . 1 1 113 113 ASP N N 113 128.350 128.350 127.624 0.726 19817 791 1 3 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.000 -0.040 19817 792 1 3 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.621 -1.621 19817 793 1 3 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.434 -1.234 19817 794 1 3 . 1 1 113 113 ASP H H 113 9.030 9.030 9.353 -0.323 19817 795 1 3 . 1 1 114 114 LEU N N 114 118.300 118.300 124.043 -5.743 19817 796 1 3 . 1 1 114 114 LEU HA H 114 3.980 3.980 3.996 -0.016 19817 797 1 3 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.795 0.005 19817 798 1 3 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.146 0.454 19817 799 1 3 . 1 1 114 114 LEU H H 114 8.530 8.530 8.957 -0.427 19817 800 1 3 . 1 1 115 115 ASP N N 115 118.300 118.300 116.782 1.518 19817 801 1 3 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.293 0.077 19817 802 1 3 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.659 0.341 19817 803 1 3 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.007 0.633 19817 804 1 3 . 1 1 115 115 ASP H H 115 7.920 7.920 8.559 -0.639 19817 805 1 3 . 1 1 116 116 GLU N N 116 121.400 121.400 119.972 1.428 19817 806 1 3 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.053 0.577 19817 807 1 3 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.783 -0.283 19817 808 1 3 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.471 -0.071 19817 809 1 3 . 1 1 116 116 GLU H H 116 8.670 8.670 8.045 0.625 19817 810 1 3 . 1 1 117 117 LEU N N 117 121.200 121.200 121.461 -0.261 19817 811 1 3 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.087 -0.097 19817 812 1 3 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.333 1.127 19817 813 1 3 . 1 1 117 117 LEU CB C 117 42.050 42.050 41.996 0.054 19817 814 1 3 . 1 1 117 117 LEU H H 117 8.670 8.670 8.316 0.354 19817 815 1 3 . 1 1 118 118 LYS N N 118 118.800 118.800 119.668 -0.868 19817 816 1 3 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.899 -0.079 19817 817 1 3 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.979 1.321 19817 818 1 3 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.049 0.451 19817 819 1 3 . 1 1 118 118 LYS H H 118 8.610 8.610 7.679 0.931 19817 820 1 3 . 1 1 119 119 ILE N N 119 119.400 119.400 119.268 0.132 19817 821 1 3 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.934 -0.124 19817 822 1 3 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.364 0.736 19817 823 1 3 . 1 1 119 119 ILE CB C 119 38.200 38.200 38.181 0.019 19817 824 1 3 . 1 1 119 119 ILE H H 119 8.180 8.180 7.455 0.725 19817 825 1 3 . 1 1 120 120 MET N N 120 119.340 119.340 117.633 1.707 19817 826 1 3 . 1 1 120 120 MET HA H 120 3.360 3.360 4.214 -0.854 19817 827 1 3 . 1 1 120 120 MET CA C 120 57.100 57.100 58.536 -1.436 19817 828 1 3 . 1 1 120 120 MET CB C 120 31.600 31.600 31.672 -0.071 19817 829 1 3 . 1 1 120 120 MET H H 120 7.500 7.500 7.329 0.171 19817 830 1 3 . 1 1 121 121 LEU N N 121 117.920 117.920 122.742 -4.822 19817 831 1 3 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.129 -0.099 19817 832 1 3 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.613 -0.013 19817 833 1 3 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.989 0.711 19817 834 1 3 . 1 1 121 121 LEU H H 121 8.520 8.520 7.720 0.800 19817 835 1 3 . 1 1 122 122 GLN N N 122 120.780 120.780 117.131 3.649 19817 836 1 3 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.046 0.064 19817 837 1 3 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.511 0.289 19817 838 1 3 . 1 1 122 122 GLN CB C 122 28.000 28.000 27.915 0.085 19817 839 1 3 . 1 1 122 122 GLN H H 122 8.810 8.810 8.304 0.506 19817 840 1 3 . 1 1 123 123 ALA N N 123 121.220 121.220 122.611 -1.391 19817 841 1 3 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.226 0.074 19817 842 1 3 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.425 -0.825 19817 843 1 3 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.088 0.412 19817 844 1 3 . 1 1 123 123 ALA H H 123 7.580 7.580 7.767 -0.187 19817 845 1 3 . 1 1 124 124 THR N N 124 106.720 106.720 112.702 -5.982 19817 846 1 3 . 1 1 124 124 THR HA H 124 4.050 4.050 4.155 -0.105 19817 847 1 3 . 1 1 124 124 THR CA C 124 64.200 64.200 64.152 0.048 19817 848 1 3 . 1 1 124 124 THR CB C 124 71.300 71.300 69.215 2.085 19817 849 1 3 . 1 1 124 124 THR H H 124 7.490 7.490 7.663 -0.173 19817 850 1 3 . 1 1 125 125 GLY N N 125 108.350 108.350 109.212 -0.862 19817 851 1 3 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.819 0.781 19817 852 1 3 . 1 1 125 125 GLY H H 125 7.680 7.680 7.595 0.085 19817 853 1 3 . 1 1 126 126 GLU N N 126 120.100 120.100 121.707 -1.607 19817 854 1 3 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.614 -0.334 19817 855 1 3 . 1 1 126 126 GLU CA C 126 55.200 55.200 54.146 1.054 19817 856 1 3 . 1 1 126 126 GLU CB C 126 31.000 31.000 31.141 -0.141 19817 857 1 3 . 1 1 126 126 GLU H H 126 7.500 7.500 7.869 -0.369 19817 858 1 3 . 1 1 127 127 THR N N 127 119.830 119.830 119.943 -0.113 19817 859 1 3 . 1 1 127 127 THR HA H 127 4.170 4.170 4.423 -0.253 19817 860 1 3 . 1 1 127 127 THR CA C 127 63.700 63.700 62.104 1.596 19817 861 1 3 . 1 1 127 127 THR CB C 127 68.800 68.800 69.347 -0.546 19817 862 1 3 . 1 1 127 127 THR H H 127 8.650 8.650 8.318 0.332 19817 863 1 3 . 1 1 128 128 ILE N N 128 128.630 128.630 126.352 2.278 19817 864 1 3 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.463 0.177 19817 865 1 3 . 1 1 128 128 ILE CA C 128 57.700 57.700 58.000 -0.300 19817 866 1 3 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.433 -1.233 19817 867 1 3 . 1 1 128 128 ILE H H 128 8.370 8.370 8.129 0.241 19817 868 1 3 . 1 1 129 129 THR N N 129 119.830 119.830 115.464 4.366 19817 869 1 3 . 1 1 129 129 THR HA H 129 4.750 4.750 4.392 0.358 19817 870 1 3 . 1 1 129 129 THR CA C 129 59.700 59.700 60.810 -1.110 19817 871 1 3 . 1 1 129 129 THR CB C 129 72.300 72.300 70.138 2.162 19817 872 1 3 . 1 1 129 129 THR H H 129 9.680 9.680 8.104 1.576 19817 873 1 3 . 1 1 130 130 GLU N N 130 119.760 119.760 120.853 -1.093 19817 874 1 3 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.989 0.041 19817 875 1 3 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.973 -0.173 19817 876 1 3 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.115 -0.015 19817 877 1 3 . 1 1 130 130 GLU H H 130 8.920 8.920 8.925 -0.005 19817 878 1 3 . 1 1 131 131 ASP N N 131 117.750 117.750 118.521 -0.771 19817 879 1 3 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.340 0.040 19817 880 1 3 . 1 1 131 131 ASP CA C 131 57.300 57.300 58.022 -0.722 19817 881 1 3 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.116 0.684 19817 882 1 3 . 1 1 131 131 ASP H H 131 7.830 7.830 8.592 -0.762 19817 883 1 3 . 1 1 132 132 ASP N N 132 119.880 119.880 120.353 -0.473 19817 884 1 3 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.460 -0.240 19817 885 1 3 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.068 1.132 19817 886 1 3 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.007 1.093 19817 887 1 3 . 1 1 132 132 ASP H H 132 7.570 7.570 7.616 -0.046 19817 888 1 3 . 1 1 133 133 ILE N N 133 116.580 116.580 120.149 -3.569 19817 889 1 3 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.646 -0.306 19817 890 1 3 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.354 0.146 19817 891 1 3 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.856 0.844 19817 892 1 3 . 1 1 133 133 ILE H H 133 7.180 7.180 7.412 -0.232 19817 893 1 3 . 1 1 134 134 GLU N N 134 117.740 117.740 120.930 -3.190 19817 894 1 3 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.947 -0.057 19817 895 1 3 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.797 -0.197 19817 896 1 3 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.685 0.415 19817 897 1 3 . 1 1 134 134 GLU H H 134 8.150 8.150 8.667 -0.517 19817 898 1 3 . 1 1 135 135 GLU N N 135 116.300 116.300 119.492 -3.192 19817 899 1 3 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.085 0.135 19817 900 1 3 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.813 0.087 19817 901 1 3 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.271 0.029 19817 902 1 3 . 1 1 135 135 GLU H H 135 8.430 8.430 8.035 0.395 19817 903 1 3 . 1 1 136 136 LEU N N 136 120.700 120.700 121.189 -0.489 19817 904 1 3 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.089 0.171 19817 905 1 3 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.051 -0.651 19817 906 1 3 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.137 -0.437 19817 907 1 3 . 1 1 136 136 LEU H H 136 8.100 8.100 8.109 -0.009 19817 908 1 3 . 1 1 137 137 MET N N 137 117.930 117.930 117.294 0.636 19817 909 1 3 . 1 1 137 137 MET HA H 137 4.290 4.290 4.241 0.049 19817 910 1 3 . 1 1 137 137 MET CA C 137 57.700 57.700 59.377 -1.677 19817 911 1 3 . 1 1 137 137 MET CB C 137 30.600 30.600 32.373 -1.773 19817 912 1 3 . 1 1 137 137 MET H H 137 8.180 8.180 8.246 -0.066 19817 913 1 3 . 1 1 138 138 LYS N N 138 117.370 117.370 119.128 -1.758 19817 914 1 3 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.024 0.046 19817 915 1 3 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.096 -0.096 19817 916 1 3 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.590 1.010 19817 917 1 3 . 1 1 138 138 LYS H H 138 8.060 8.060 8.120 -0.060 19817 918 1 3 . 1 1 139 139 ASP N N 139 117.330 117.330 118.100 -0.770 19817 919 1 3 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.325 0.055 19817 920 1 3 . 1 1 139 139 ASP CA C 139 56.700 56.700 57.152 -0.452 19817 921 1 3 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.882 2.318 19817 922 1 3 . 1 1 139 139 ASP H H 139 7.650 7.650 7.534 0.116 19817 923 1 3 . 1 1 140 140 GLY N N 140 101.850 101.850 106.641 -4.791 19817 924 1 3 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.691 0.509 19817 925 1 3 . 1 1 140 140 GLY H H 140 7.850 7.850 7.479 0.371 19817 926 1 3 . 1 1 141 141 ASP N N 141 120.420 120.420 122.871 -2.451 19817 927 1 3 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.116 -0.546 19817 928 1 3 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.334 -0.134 19817 929 1 3 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.588 -0.088 19817 930 1 3 . 1 1 141 141 ASP H H 141 8.500 8.500 8.649 -0.149 19817 931 1 3 . 1 1 142 142 LYS N N 142 125.890 125.890 124.131 1.759 19817 932 1 3 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.056 0.094 19817 933 1 3 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.485 -0.585 19817 934 1 3 . 1 1 142 142 LYS CB C 142 33.000 33.000 31.988 1.012 19817 935 1 3 . 1 1 142 142 LYS H H 142 7.740 7.740 8.526 -0.786 19817 936 1 3 . 1 1 143 143 ASN N N 143 113.610 113.610 115.744 -2.134 19817 937 1 3 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.561 0.239 19817 938 1 3 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.859 -2.159 19817 939 1 3 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.965 -1.765 19817 940 1 3 . 1 1 143 143 ASN H H 143 8.120 8.120 8.072 0.048 19817 941 1 3 . 1 1 144 144 ASN N N 144 115.900 115.900 115.410 0.490 19817 942 1 3 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.614 -0.114 19817 943 1 3 . 1 1 144 144 ASN CA C 144 55.100 55.100 53.967 1.133 19817 944 1 3 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.276 0.524 19817 945 1 3 . 1 1 144 144 ASN H H 144 7.720 7.720 7.987 -0.267 19817 946 1 3 . 1 1 145 145 ASP N N 145 118.570 118.570 116.030 2.540 19817 947 1 3 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.642 0.068 19817 948 1 3 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.599 -0.598 19817 949 1 3 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.157 -0.157 19817 950 1 3 . 1 1 145 145 ASP H H 145 8.680 8.680 8.159 0.521 19817 951 1 3 . 1 1 146 146 GLY N N 146 112.940 112.940 109.577 3.363 19817 952 1 3 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.377 0.323 19817 953 1 3 . 1 1 146 146 GLY H H 146 10.320 10.320 8.805 1.515 19817 954 1 3 . 1 1 147 147 ARG N N 147 115.440 115.440 118.663 -3.223 19817 955 1 3 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.903 0.007 19817 956 1 3 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.142 -0.142 19817 957 1 3 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.967 0.433 19817 958 1 3 . 1 1 147 147 ARG H H 147 7.690 7.690 8.507 -0.817 19817 959 1 3 . 1 1 148 148 ILE N N 148 126.090 126.090 123.779 2.311 19817 960 1 3 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.816 0.234 19817 961 1 3 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.707 1.893 19817 962 1 3 . 1 1 148 148 ILE CB C 148 40.000 40.000 36.817 3.183 19817 963 1 3 . 1 1 148 148 ILE H H 148 9.430 9.430 8.898 0.532 19817 964 1 3 . 1 1 149 149 ASP N N 149 129.170 129.170 129.183 -0.013 19817 965 1 3 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.253 -0.093 19817 966 1 3 . 1 1 149 149 ASP CA C 149 52.500 52.500 54.440 -1.940 19817 967 1 3 . 1 1 149 149 ASP CB C 149 41.900 41.900 42.794 -0.894 19817 968 1 3 . 1 1 149 149 ASP H H 149 9.390 9.390 9.486 -0.096 19817 969 1 3 . 1 1 150 150 TYR N N 150 118.600 118.600 123.734 -5.134 19817 970 1 3 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.873 -0.493 19817 971 1 3 . 1 1 150 150 TYR CA C 150 62.200 62.200 63.535 -1.335 19817 972 1 3 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.322 -0.122 19817 973 1 3 . 1 1 150 150 TYR H H 150 8.420 8.420 8.737 -0.317 19817 974 1 3 . 1 1 151 151 ASP N N 151 118.060 118.060 117.655 0.405 19817 975 1 3 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.137 -0.057 19817 976 1 3 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.910 -0.010 19817 977 1 3 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.373 0.227 19817 978 1 3 . 1 1 151 151 ASP H H 151 7.740 7.740 8.771 -1.031 19817 979 1 3 . 1 1 152 152 GLU N N 152 120.480 120.480 119.704 0.776 19817 980 1 3 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.051 -0.021 19817 981 1 3 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.883 -0.183 19817 982 1 3 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.749 -0.049 19817 983 1 3 . 1 1 152 152 GLU H H 152 8.880 8.880 7.471 1.409 19817 984 1 3 . 1 1 153 153 PHE N N 153 124.990 124.990 121.341 3.649 19817 985 1 3 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.474 -0.474 19817 986 1 3 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.152 0.648 19817 987 1 3 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.371 0.429 19817 988 1 3 . 1 1 153 153 PHE H H 153 9.280 9.280 8.582 0.698 19817 989 1 3 . 1 1 154 154 LEU N N 154 117.780 117.780 117.305 0.475 19817 990 1 3 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.631 0.019 19817 991 1 3 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.645 0.555 19817 992 1 3 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.999 0.401 19817 993 1 3 . 1 1 154 154 LEU H H 154 7.880 7.880 8.246 -0.366 19817 994 1 3 . 1 1 155 155 GLU N N 155 116.556 116.556 119.424 -2.868 19817 995 1 3 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.858 0.192 19817 996 1 3 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.197 -0.297 19817 997 1 3 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.683 0.817 19817 998 1 3 . 1 1 155 155 GLU H H 155 6.910 6.910 7.609 -0.699 19817 999 1 3 . 1 1 156 156 PHE N N 156 121.800 121.800 116.442 5.358 19817 1000 1 3 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.184 -0.064 19817 1001 1 3 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.138 -2.538 19817 1002 1 3 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.898 2.002 19817 1003 1 3 . 1 1 156 156 PHE H H 156 8.610 8.610 7.436 1.174 19817 1004 1 3 . 1 1 157 157 MET N N 157 111.800 111.800 117.046 -5.246 19817 1005 1 3 . 1 1 157 157 MET HA H 157 4.360 4.360 4.574 -0.214 19817 1006 1 3 . 1 1 157 157 MET CA C 157 53.300 53.300 54.700 -1.400 19817 1007 1 3 . 1 1 157 157 MET CB C 157 32.500 32.500 32.676 -0.176 19817 1008 1 3 . 1 1 157 157 MET H H 157 7.490 7.490 7.565 -0.075 19817 1009 1 3 . 1 1 158 158 LYS N N 158 121.970 121.970 120.670 1.300 19817 1010 1 3 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.035 -0.085 19817 1011 1 3 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.478 0.822 19817 1012 1 3 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.121 0.279 19817 1013 1 3 . 1 1 158 158 LYS H H 158 7.110 7.110 7.703 -0.593 19817 1014 1 3 . 1 1 159 159 ASP N N 159 116.800 116.800 119.417 -2.617 19817 1015 1 3 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.678 -0.238 19817 1016 1 3 . 1 1 159 159 ASP CA C 159 54.900 54.900 53.396 1.504 19817 1017 1 3 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.815 -0.415 19817 1018 1 3 . 1 1 159 159 ASP H H 159 8.470 8.470 8.175 0.295 19817 1019 1 3 . 1 1 160 160 VAL N N 160 119.800 119.800 122.156 -2.356 19817 1020 1 3 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.240 -0.450 19817 1021 1 3 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.667 1.633 19817 1022 1 3 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.216 -2.116 19817 1023 1 3 . 1 1 160 160 VAL H H 160 7.270 7.270 8.177 -0.907 19817 1024 1 4 . 1 1 91 91 GLY N N 91 123.830 123.830 108.394 15.436 19817 1025 1 4 . 1 1 91 91 GLY CA C 91 45.000 45.000 44.595 0.405 19817 1026 1 4 . 1 1 91 91 GLY H H 91 6.020 6.020 8.969 -2.949 19817 1027 1 4 . 1 1 92 92 LYS N N 92 121.100 121.100 119.033 2.067 19817 1028 1 4 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.498 -0.068 19817 1029 1 4 . 1 1 92 92 LYS CA C 92 56.000 56.000 55.565 0.435 19817 1030 1 4 . 1 1 92 92 LYS CB C 92 33.800 33.800 31.695 2.105 19817 1031 1 4 . 1 1 92 92 LYS H H 92 8.610 8.610 8.128 0.482 19817 1032 1 4 . 1 1 93 93 SER N N 93 117.190 117.190 117.464 -0.274 19817 1033 1 4 . 1 1 93 93 SER HA H 93 4.470 4.470 4.685 -0.215 19817 1034 1 4 . 1 1 93 93 SER CA C 93 58.100 58.100 57.611 0.489 19817 1035 1 4 . 1 1 93 93 SER CB C 93 65.000 65.000 65.529 -0.529 19817 1036 1 4 . 1 1 93 93 SER H H 93 8.760 8.760 8.744 0.016 19817 1037 1 4 . 1 1 94 94 GLU N N 94 122.350 122.350 124.269 -1.919 19817 1038 1 4 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.046 -0.046 19817 1039 1 4 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.726 -0.726 19817 1040 1 4 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.455 -0.355 19817 1041 1 4 . 1 1 94 94 GLU H H 94 8.890 8.890 9.125 -0.235 19817 1042 1 4 . 1 1 95 95 GLU N N 95 119.160 119.160 118.505 0.655 19817 1043 1 4 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.050 0.040 19817 1044 1 4 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.803 -0.103 19817 1045 1 4 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.129 0.071 19817 1046 1 4 . 1 1 95 95 GLU H H 95 8.610 8.610 8.871 -0.261 19817 1047 1 4 . 1 1 96 96 GLU N N 96 120.300 120.300 120.201 0.099 19817 1048 1 4 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.157 0.133 19817 1049 1 4 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.128 -0.128 19817 1050 1 4 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.470 0.730 19817 1051 1 4 . 1 1 96 96 GLU H H 96 7.930 7.930 7.606 0.324 19817 1052 1 4 . 1 1 97 97 LEU N N 97 119.340 119.340 120.666 -1.326 19817 1053 1 4 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.206 0.064 19817 1054 1 4 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.110 0.390 19817 1055 1 4 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.863 0.037 19817 1056 1 4 . 1 1 97 97 LEU H H 97 8.520 8.520 8.526 -0.006 19817 1057 1 4 . 1 1 98 98 SER N N 98 115.800 115.800 115.531 0.269 19817 1058 1 4 . 1 1 98 98 SER HA H 98 4.280 4.280 4.377 -0.097 19817 1059 1 4 . 1 1 98 98 SER CA C 98 62.300 62.300 62.767 -0.467 19817 1060 1 4 . 1 1 98 98 SER CB C 98 62.500 62.500 62.847 -0.347 19817 1061 1 4 . 1 1 98 98 SER H H 98 8.700 8.700 8.569 0.131 19817 1062 1 4 . 1 1 99 99 ASP N N 99 121.600 121.600 122.768 -1.168 19817 1063 1 4 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.581 0.119 19817 1064 1 4 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.384 1.116 19817 1065 1 4 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.008 0.392 19817 1066 1 4 . 1 1 99 99 ASP H H 99 7.510 7.510 8.034 -0.524 19817 1067 1 4 . 1 1 100 100 LEU N N 100 117.900 117.900 119.837 -1.937 19817 1068 1 4 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.188 -0.038 19817 1069 1 4 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.990 0.310 19817 1070 1 4 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.171 -0.571 19817 1071 1 4 . 1 1 100 100 LEU H H 100 8.170 8.170 8.561 -0.391 19817 1072 1 4 . 1 1 101 101 PHE N N 101 120.490 120.490 119.985 0.505 19817 1073 1 4 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.898 1.372 19817 1074 1 4 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.254 0.946 19817 1075 1 4 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.908 0.292 19817 1076 1 4 . 1 1 101 101 PHE H H 101 8.760 8.760 8.873 -0.113 19817 1077 1 4 . 1 1 102 102 ARG N N 102 115.520 115.520 119.040 -3.520 19817 1078 1 4 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.918 0.052 19817 1079 1 4 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.890 -0.690 19817 1080 1 4 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.176 0.224 19817 1081 1 4 . 1 1 102 102 ARG H H 102 7.470 7.470 8.327 -0.857 19817 1082 1 4 . 1 1 103 103 MET N N 103 114.150 114.150 116.971 -2.821 19817 1083 1 4 . 1 1 103 103 MET HA H 103 4.370 4.370 4.072 0.298 19817 1084 1 4 . 1 1 103 103 MET CA C 103 55.900 55.900 59.323 -3.423 19817 1085 1 4 . 1 1 103 103 MET CB C 103 34.300 34.300 32.328 1.972 19817 1086 1 4 . 1 1 103 103 MET H H 103 7.590 7.590 7.536 0.054 19817 1087 1 4 . 1 1 104 104 PHE N N 104 115.060 115.060 117.432 -2.372 19817 1088 1 4 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.234 0.056 19817 1089 1 4 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.076 -0.676 19817 1090 1 4 . 1 1 104 104 PHE CB C 104 41.700 41.700 38.937 2.763 19817 1091 1 4 . 1 1 104 104 PHE H H 104 7.380 7.380 7.309 0.071 19817 1092 1 4 . 1 1 105 105 ASP N N 105 116.710 116.710 117.714 -1.004 19817 1093 1 4 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.731 -0.311 19817 1094 1 4 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.173 -1.773 19817 1095 1 4 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.901 -2.901 19817 1096 1 4 . 1 1 105 105 ASP H H 105 7.270 7.270 7.920 -0.650 19817 1097 1 4 . 1 1 106 106 LYS N N 106 124.270 124.270 122.654 1.616 19817 1098 1 4 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.467 -0.437 19817 1099 1 4 . 1 1 106 106 LYS C C 106 113.428 113.428 177.202 -63.774 19817 1100 1 4 . 1 1 106 106 LYS CA C 106 58.200 58.200 56.368 1.832 19817 1101 1 4 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.027 -0.127 19817 1102 1 4 . 1 1 106 106 LYS H H 106 7.510 7.510 8.408 -0.898 19817 1103 1 4 . 1 1 107 107 ASN N N 107 113.600 113.600 117.786 -4.186 19817 1104 1 4 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.722 0.008 19817 1105 1 4 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.035 -1.335 19817 1106 1 4 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.838 -1.938 19817 1107 1 4 . 1 1 107 107 ASN H H 107 8.000 8.000 8.075 -0.075 19817 1108 1 4 . 1 1 108 108 ALA N N 108 121.600 121.600 119.680 1.920 19817 1109 1 4 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.003 0.067 19817 1110 1 4 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.687 -0.387 19817 1111 1 4 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.207 -0.107 19817 1112 1 4 . 1 1 108 108 ALA H H 108 7.810 7.810 7.846 -0.036 19817 1113 1 4 . 1 1 109 109 ASP N N 109 118.480 118.480 118.846 -0.366 19817 1114 1 4 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.560 0.140 19817 1115 1 4 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.661 -1.461 19817 1116 1 4 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.114 -0.114 19817 1117 1 4 . 1 1 109 109 ASP H H 109 8.520 8.520 8.158 0.362 19817 1118 1 4 . 1 1 110 110 GLY N N 110 112.250 112.250 106.071 6.179 19817 1119 1 4 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.657 0.343 19817 1120 1 4 . 1 1 110 110 GLY H H 110 10.400 10.400 8.366 2.034 19817 1121 1 4 . 1 1 111 111 TYR N N 111 115.590 115.590 119.108 -3.518 19817 1122 1 4 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.181 -0.011 19817 1123 1 4 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.121 -1.021 19817 1124 1 4 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.267 1.833 19817 1125 1 4 . 1 1 111 111 TYR H H 111 8.000 8.000 8.104 -0.104 19817 1126 1 4 . 1 1 112 112 ILE N N 112 125.560 125.560 124.646 0.914 19817 1127 1 4 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.494 0.266 19817 1128 1 4 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.931 -0.331 19817 1129 1 4 . 1 1 112 112 ILE CB C 112 39.000 39.000 37.877 1.123 19817 1130 1 4 . 1 1 112 112 ILE H H 112 9.830 9.830 9.444 0.386 19817 1131 1 4 . 1 1 113 113 ASP N N 113 128.350 128.350 128.397 -0.047 19817 1132 1 4 . 1 1 113 113 ASP HA H 113 4.960 4.960 4.798 0.162 19817 1133 1 4 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.775 -1.775 19817 1134 1 4 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.761 -1.561 19817 1135 1 4 . 1 1 113 113 ASP H H 113 9.030 9.030 8.584 0.446 19817 1136 1 4 . 1 1 114 114 LEU N N 114 118.300 118.300 126.181 -7.881 19817 1137 1 4 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.040 -0.060 19817 1138 1 4 . 1 1 114 114 LEU CA C 114 58.800 58.800 57.983 0.817 19817 1139 1 4 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.249 0.351 19817 1140 1 4 . 1 1 114 114 LEU H H 114 8.530 8.530 8.320 0.210 19817 1141 1 4 . 1 1 115 115 ASP N N 115 118.300 118.300 119.011 -0.711 19817 1142 1 4 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.311 0.059 19817 1143 1 4 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.038 -0.038 19817 1144 1 4 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.534 0.106 19817 1145 1 4 . 1 1 115 115 ASP H H 115 7.920 7.920 8.944 -1.024 19817 1146 1 4 . 1 1 116 116 GLU N N 116 121.400 121.400 120.218 1.182 19817 1147 1 4 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.073 0.557 19817 1148 1 4 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.035 -0.535 19817 1149 1 4 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.601 -0.201 19817 1150 1 4 . 1 1 116 116 GLU H H 116 8.670 8.670 7.453 1.217 19817 1151 1 4 . 1 1 117 117 LEU N N 117 121.200 121.200 121.309 -0.109 19817 1152 1 4 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.043 -0.053 19817 1153 1 4 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.907 0.553 19817 1154 1 4 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.231 -0.181 19817 1155 1 4 . 1 1 117 117 LEU H H 117 8.670 8.670 8.492 0.178 19817 1156 1 4 . 1 1 118 118 LYS N N 118 118.800 118.800 119.268 -0.468 19817 1157 1 4 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.981 -0.161 19817 1158 1 4 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.546 1.754 19817 1159 1 4 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.683 0.817 19817 1160 1 4 . 1 1 118 118 LYS H H 118 8.610 8.610 8.532 0.078 19817 1161 1 4 . 1 1 119 119 ILE N N 119 119.400 119.400 120.451 -1.051 19817 1162 1 4 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.933 -0.123 19817 1163 1 4 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.671 0.429 19817 1164 1 4 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.671 0.529 19817 1165 1 4 . 1 1 119 119 ILE H H 119 8.180 8.180 7.412 0.768 19817 1166 1 4 . 1 1 120 120 MET N N 120 119.340 119.340 119.284 0.056 19817 1167 1 4 . 1 1 120 120 MET HA H 120 3.360 3.360 4.033 -0.673 19817 1168 1 4 . 1 1 120 120 MET CA C 120 57.100 57.100 58.928 -1.828 19817 1169 1 4 . 1 1 120 120 MET CB C 120 31.600 31.600 32.280 -0.680 19817 1170 1 4 . 1 1 120 120 MET H H 120 7.500 7.500 7.379 0.121 19817 1171 1 4 . 1 1 121 121 LEU N N 121 117.920 117.920 120.316 -2.396 19817 1172 1 4 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.123 -0.093 19817 1173 1 4 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.348 0.252 19817 1174 1 4 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.788 0.911 19817 1175 1 4 . 1 1 121 121 LEU H H 121 8.520 8.520 7.729 0.791 19817 1176 1 4 . 1 1 122 122 GLN N N 122 120.780 120.780 118.566 2.214 19817 1177 1 4 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.282 -0.172 19817 1178 1 4 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.526 0.274 19817 1179 1 4 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.561 -0.561 19817 1180 1 4 . 1 1 122 122 GLN H H 122 8.810 8.810 8.697 0.113 19817 1181 1 4 . 1 1 123 123 ALA N N 123 121.220 121.220 120.324 0.896 19817 1182 1 4 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.166 0.134 19817 1183 1 4 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.525 -0.925 19817 1184 1 4 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.812 -0.312 19817 1185 1 4 . 1 1 123 123 ALA H H 123 7.580 7.580 7.882 -0.302 19817 1186 1 4 . 1 1 124 124 THR N N 124 106.720 106.720 107.908 -1.188 19817 1187 1 4 . 1 1 124 124 THR HA H 124 4.050 4.050 4.345 -0.295 19817 1188 1 4 . 1 1 124 124 THR CA C 124 64.200 64.200 62.174 2.026 19817 1189 1 4 . 1 1 124 124 THR CB C 124 71.300 71.300 69.726 1.574 19817 1190 1 4 . 1 1 124 124 THR H H 124 7.490 7.490 7.581 -0.091 19817 1191 1 4 . 1 1 125 125 GLY N N 125 108.350 108.350 109.528 -1.178 19817 1192 1 4 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.931 0.669 19817 1193 1 4 . 1 1 125 125 GLY H H 125 7.680 7.680 7.756 -0.076 19817 1194 1 4 . 1 1 126 126 GLU N N 126 120.100 120.100 119.314 0.786 19817 1195 1 4 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.200 0.080 19817 1196 1 4 . 1 1 126 126 GLU CA C 126 55.200 55.200 59.445 -4.245 19817 1197 1 4 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.934 1.066 19817 1198 1 4 . 1 1 126 126 GLU H H 126 7.500 7.500 8.615 -1.115 19817 1199 1 4 . 1 1 127 127 THR N N 127 119.830 119.830 110.228 9.602 19817 1200 1 4 . 1 1 127 127 THR HA H 127 4.170 4.170 4.518 -0.348 19817 1201 1 4 . 1 1 127 127 THR CA C 127 63.700 63.700 61.217 2.483 19817 1202 1 4 . 1 1 127 127 THR CB C 127 68.800 68.800 69.024 -0.224 19817 1203 1 4 . 1 1 127 127 THR H H 127 8.650 8.650 7.964 0.686 19817 1204 1 4 . 1 1 128 128 ILE N N 128 128.630 128.630 120.276 8.354 19817 1205 1 4 . 1 1 128 128 ILE HA H 128 4.640 4.640 3.884 0.756 19817 1206 1 4 . 1 1 128 128 ILE CA C 128 57.700 57.700 61.422 -3.722 19817 1207 1 4 . 1 1 128 128 ILE CB C 128 38.200 38.200 37.021 1.179 19817 1208 1 4 . 1 1 128 128 ILE H H 128 8.370 8.370 8.001 0.369 19817 1209 1 4 . 1 1 129 129 THR N N 129 119.830 119.830 113.417 6.413 19817 1210 1 4 . 1 1 129 129 THR HA H 129 4.750 4.750 4.518 0.232 19817 1211 1 4 . 1 1 129 129 THR CA C 129 59.700 59.700 61.573 -1.873 19817 1212 1 4 . 1 1 129 129 THR CB C 129 72.300 72.300 69.023 3.277 19817 1213 1 4 . 1 1 129 129 THR H H 129 9.680 9.680 8.341 1.339 19817 1214 1 4 . 1 1 130 130 GLU N N 130 119.760 119.760 120.300 -0.540 19817 1215 1 4 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.742 0.288 19817 1216 1 4 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.998 -0.198 19817 1217 1 4 . 1 1 130 130 GLU CB C 130 29.100 29.100 27.886 1.214 19817 1218 1 4 . 1 1 130 130 GLU H H 130 8.920 8.920 8.543 0.377 19817 1219 1 4 . 1 1 131 131 ASP N N 131 117.750 117.750 120.034 -2.284 19817 1220 1 4 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.375 0.005 19817 1221 1 4 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.066 0.233 19817 1222 1 4 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.394 0.406 19817 1223 1 4 . 1 1 131 131 ASP H H 131 7.830 7.830 8.494 -0.664 19817 1224 1 4 . 1 1 132 132 ASP N N 132 119.880 119.880 119.863 0.017 19817 1225 1 4 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.399 -0.179 19817 1226 1 4 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.199 1.001 19817 1227 1 4 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.998 1.103 19817 1228 1 4 . 1 1 132 132 ASP H H 132 7.570 7.570 7.641 -0.071 19817 1229 1 4 . 1 1 133 133 ILE N N 133 116.580 116.580 119.724 -3.144 19817 1230 1 4 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.692 -0.352 19817 1231 1 4 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.024 0.476 19817 1232 1 4 . 1 1 133 133 ILE CB C 133 38.700 38.700 38.001 0.699 19817 1233 1 4 . 1 1 133 133 ILE H H 133 7.180 7.180 7.506 -0.326 19817 1234 1 4 . 1 1 134 134 GLU N N 134 117.740 117.740 119.250 -1.510 19817 1235 1 4 . 1 1 134 134 GLU HA H 134 3.890 3.890 4.000 -0.110 19817 1236 1 4 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.129 0.471 19817 1237 1 4 . 1 1 134 134 GLU CB C 134 30.100 30.100 28.796 1.304 19817 1238 1 4 . 1 1 134 134 GLU H H 134 8.150 8.150 8.428 -0.278 19817 1239 1 4 . 1 1 135 135 GLU N N 135 116.300 116.300 120.328 -4.028 19817 1240 1 4 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.066 0.154 19817 1241 1 4 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.339 -0.439 19817 1242 1 4 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.711 -0.411 19817 1243 1 4 . 1 1 135 135 GLU H H 135 8.430 8.430 8.490 -0.060 19817 1244 1 4 . 1 1 136 136 LEU N N 136 120.700 120.700 120.524 0.176 19817 1245 1 4 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.202 0.058 19817 1246 1 4 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.985 -0.585 19817 1247 1 4 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.214 -0.513 19817 1248 1 4 . 1 1 136 136 LEU H H 136 8.100 8.100 7.468 0.632 19817 1249 1 4 . 1 1 137 137 MET N N 137 117.930 117.930 118.500 -0.570 19817 1250 1 4 . 1 1 137 137 MET HA H 137 4.290 4.290 4.205 0.085 19817 1251 1 4 . 1 1 137 137 MET CA C 137 57.700 57.700 58.668 -0.968 19817 1252 1 4 . 1 1 137 137 MET CB C 137 30.600 30.600 32.511 -1.911 19817 1253 1 4 . 1 1 137 137 MET H H 137 8.180 8.180 8.736 -0.556 19817 1254 1 4 . 1 1 138 138 LYS N N 138 117.370 117.370 119.291 -1.921 19817 1255 1 4 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.002 0.068 19817 1256 1 4 . 1 1 138 138 LYS CA C 138 59.000 59.000 60.269 -1.269 19817 1257 1 4 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.082 0.518 19817 1258 1 4 . 1 1 138 138 LYS H H 138 8.060 8.060 8.508 -0.448 19817 1259 1 4 . 1 1 139 139 ASP N N 139 117.330 117.330 117.891 -0.561 19817 1260 1 4 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.318 0.062 19817 1261 1 4 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.587 0.113 19817 1262 1 4 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.697 2.503 19817 1263 1 4 . 1 1 139 139 ASP H H 139 7.650 7.650 7.498 0.152 19817 1264 1 4 . 1 1 140 140 GLY N N 140 101.850 101.850 106.821 -4.971 19817 1265 1 4 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.594 0.605 19817 1266 1 4 . 1 1 140 140 GLY H H 140 7.850 7.850 7.356 0.494 19817 1267 1 4 . 1 1 141 141 ASP N N 141 120.420 120.420 122.936 -2.516 19817 1268 1 4 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.185 -0.615 19817 1269 1 4 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.248 -0.048 19817 1270 1 4 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.084 -0.584 19817 1271 1 4 . 1 1 141 141 ASP H H 141 8.500 8.500 8.589 -0.089 19817 1272 1 4 . 1 1 142 142 LYS N N 142 125.890 125.890 125.923 -0.033 19817 1273 1 4 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.078 0.072 19817 1274 1 4 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.502 -0.602 19817 1275 1 4 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.065 0.935 19817 1276 1 4 . 1 1 142 142 LYS H H 142 7.740 7.740 8.370 -0.630 19817 1277 1 4 . 1 1 143 143 ASN N N 143 113.610 113.610 115.192 -1.582 19817 1278 1 4 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.742 0.058 19817 1279 1 4 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.847 -1.147 19817 1280 1 4 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.214 -2.014 19817 1281 1 4 . 1 1 143 143 ASN H H 143 8.120 8.120 7.939 0.181 19817 1282 1 4 . 1 1 144 144 ASN N N 144 115.900 115.900 115.108 0.792 19817 1283 1 4 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.607 -0.107 19817 1284 1 4 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.553 0.547 19817 1285 1 4 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.173 0.627 19817 1286 1 4 . 1 1 144 144 ASN H H 144 7.720 7.720 7.915 -0.195 19817 1287 1 4 . 1 1 145 145 ASP N N 145 118.570 118.570 114.032 4.538 19817 1288 1 4 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.566 0.144 19817 1289 1 4 . 1 1 145 145 ASP CA C 145 53.000 53.000 54.007 -1.007 19817 1290 1 4 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.145 -0.145 19817 1291 1 4 . 1 1 145 145 ASP H H 145 8.680 8.680 8.017 0.663 19817 1292 1 4 . 1 1 146 146 GLY N N 146 112.940 112.940 107.632 5.308 19817 1293 1 4 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.214 0.486 19817 1294 1 4 . 1 1 146 146 GLY H H 146 10.320 10.320 8.741 1.579 19817 1295 1 4 . 1 1 147 147 ARG N N 147 115.440 115.440 117.761 -2.321 19817 1296 1 4 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.243 -0.333 19817 1297 1 4 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.061 -0.061 19817 1298 1 4 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.807 0.593 19817 1299 1 4 . 1 1 147 147 ARG H H 147 7.690 7.690 8.187 -0.497 19817 1300 1 4 . 1 1 148 148 ILE N N 148 126.090 126.090 122.884 3.206 19817 1301 1 4 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.874 0.176 19817 1302 1 4 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.540 2.060 19817 1303 1 4 . 1 1 148 148 ILE CB C 148 40.000 40.000 36.320 3.680 19817 1304 1 4 . 1 1 148 148 ILE H H 148 9.430 9.430 9.175 0.255 19817 1305 1 4 . 1 1 149 149 ASP N N 149 129.170 129.170 129.967 -0.797 19817 1306 1 4 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.076 0.084 19817 1307 1 4 . 1 1 149 149 ASP CA C 149 52.500 52.500 55.704 -3.204 19817 1308 1 4 . 1 1 149 149 ASP CB C 149 41.900 41.900 42.370 -0.470 19817 1309 1 4 . 1 1 149 149 ASP H H 149 9.390 9.390 9.719 -0.329 19817 1310 1 4 . 1 1 150 150 TYR N N 150 118.600 118.600 124.712 -6.112 19817 1311 1 4 . 1 1 150 150 TYR HA H 150 3.380 3.380 4.040 -0.660 19817 1312 1 4 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.777 -0.577 19817 1313 1 4 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.193 0.007 19817 1314 1 4 . 1 1 150 150 TYR H H 150 8.420 8.420 8.354 0.066 19817 1315 1 4 . 1 1 151 151 ASP N N 151 118.060 118.060 116.267 1.793 19817 1316 1 4 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.292 -0.212 19817 1317 1 4 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.311 -0.411 19817 1318 1 4 . 1 1 151 151 ASP CB C 151 40.600 40.600 39.958 0.642 19817 1319 1 4 . 1 1 151 151 ASP H H 151 7.740 7.740 8.921 -1.181 19817 1320 1 4 . 1 1 152 152 GLU N N 152 120.480 120.480 119.788 0.692 19817 1321 1 4 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.094 -0.064 19817 1322 1 4 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.664 0.036 19817 1323 1 4 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.757 -0.057 19817 1324 1 4 . 1 1 152 152 GLU H H 152 8.880 8.880 7.523 1.357 19817 1325 1 4 . 1 1 153 153 PHE N N 153 124.990 124.990 121.797 3.193 19817 1326 1 4 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.537 -0.537 19817 1327 1 4 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.321 0.479 19817 1328 1 4 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.376 0.424 19817 1329 1 4 . 1 1 153 153 PHE H H 153 9.280 9.280 8.655 0.625 19817 1330 1 4 . 1 1 154 154 LEU N N 154 117.780 117.780 118.359 -0.579 19817 1331 1 4 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.777 -0.127 19817 1332 1 4 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.297 0.902 19817 1333 1 4 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.820 0.580 19817 1334 1 4 . 1 1 154 154 LEU H H 154 7.880 7.880 8.166 -0.286 19817 1335 1 4 . 1 1 155 155 GLU N N 155 116.556 116.556 119.506 -2.950 19817 1336 1 4 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.869 0.181 19817 1337 1 4 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.917 -0.017 19817 1338 1 4 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.805 0.695 19817 1339 1 4 . 1 1 155 155 GLU H H 155 6.910 6.910 7.508 -0.598 19817 1340 1 4 . 1 1 156 156 PHE N N 156 121.800 121.800 117.194 4.606 19817 1341 1 4 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.160 -0.040 19817 1342 1 4 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.286 -2.686 19817 1343 1 4 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.348 2.552 19817 1344 1 4 . 1 1 156 156 PHE H H 156 8.610 8.610 7.683 0.927 19817 1345 1 4 . 1 1 157 157 MET N N 157 111.800 111.800 116.060 -4.260 19817 1346 1 4 . 1 1 157 157 MET HA H 157 4.360 4.360 4.116 0.244 19817 1347 1 4 . 1 1 157 157 MET CA C 157 53.300 53.300 57.447 -4.147 19817 1348 1 4 . 1 1 157 157 MET CB C 157 32.500 32.500 32.275 0.225 19817 1349 1 4 . 1 1 157 157 MET H H 157 7.490 7.490 7.483 0.007 19817 1350 1 4 . 1 1 158 158 LYS N N 158 121.970 121.970 116.437 5.533 19817 1351 1 4 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.059 -0.109 19817 1352 1 4 . 1 1 158 158 LYS CA C 158 59.300 59.300 57.230 2.070 19817 1353 1 4 . 1 1 158 158 LYS CB C 158 32.400 32.400 31.859 0.541 19817 1354 1 4 . 1 1 158 158 LYS H H 158 7.110 7.110 7.389 -0.279 19817 1355 1 4 . 1 1 159 159 ASP N N 159 116.800 116.800 121.502 -4.702 19817 1356 1 4 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.587 -0.147 19817 1357 1 4 . 1 1 159 159 ASP CA C 159 54.900 54.900 55.436 -0.536 19817 1358 1 4 . 1 1 159 159 ASP CB C 159 40.400 40.400 41.165 -0.765 19817 1359 1 4 . 1 1 159 159 ASP H H 159 8.470 8.470 7.766 0.704 19817 1360 1 4 . 1 1 160 160 VAL N N 160 119.800 119.800 118.798 1.002 19817 1361 1 4 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.506 -0.716 19817 1362 1 4 . 1 1 160 160 VAL CA C 160 63.300 63.300 60.634 2.666 19817 1363 1 4 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.175 -2.075 19817 1364 1 4 . 1 1 160 160 VAL H H 160 7.270 7.270 8.011 -0.741 19817 1365 1 5 . 1 1 91 91 GLY N N 91 123.830 123.830 111.920 11.910 19817 1366 1 5 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.609 -0.609 19817 1367 1 5 . 1 1 91 91 GLY H H 91 6.020 6.020 8.296 -2.276 19817 1368 1 5 . 1 1 92 92 LYS N N 92 121.100 121.100 122.152 -1.052 19817 1369 1 5 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.510 -0.080 19817 1370 1 5 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.348 -0.348 19817 1371 1 5 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.908 -0.108 19817 1372 1 5 . 1 1 92 92 LYS H H 92 8.610 8.610 8.271 0.339 19817 1373 1 5 . 1 1 93 93 SER N N 93 117.190 117.190 116.808 0.382 19817 1374 1 5 . 1 1 93 93 SER HA H 93 4.470 4.470 4.717 -0.247 19817 1375 1 5 . 1 1 93 93 SER CA C 93 58.100 58.100 57.801 0.299 19817 1376 1 5 . 1 1 93 93 SER CB C 93 65.000 65.000 65.997 -0.997 19817 1377 1 5 . 1 1 93 93 SER H H 93 8.760 8.760 8.461 0.299 19817 1378 1 5 . 1 1 94 94 GLU N N 94 122.350 122.350 124.929 -2.579 19817 1379 1 5 . 1 1 94 94 GLU HA H 94 4.000 4.000 3.993 0.007 19817 1380 1 5 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.805 0.195 19817 1381 1 5 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.118 -0.018 19817 1382 1 5 . 1 1 94 94 GLU H H 94 8.890 8.890 9.112 -0.222 19817 1383 1 5 . 1 1 95 95 GLU N N 95 119.160 119.160 118.751 0.409 19817 1384 1 5 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.085 0.005 19817 1385 1 5 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.751 -0.051 19817 1386 1 5 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.225 -0.025 19817 1387 1 5 . 1 1 95 95 GLU H H 95 8.610 8.610 8.959 -0.349 19817 1388 1 5 . 1 1 96 96 GLU N N 96 120.300 120.300 119.850 0.450 19817 1389 1 5 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.107 0.183 19817 1390 1 5 . 1 1 96 96 GLU CA C 96 59.000 59.000 58.930 0.070 19817 1391 1 5 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.497 0.703 19817 1392 1 5 . 1 1 96 96 GLU H H 96 7.930 7.930 7.656 0.274 19817 1393 1 5 . 1 1 97 97 LEU N N 97 119.340 119.340 119.695 -0.355 19817 1394 1 5 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.005 0.265 19817 1395 1 5 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.634 0.866 19817 1396 1 5 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.703 0.197 19817 1397 1 5 . 1 1 97 97 LEU H H 97 8.520 8.520 7.799 0.721 19817 1398 1 5 . 1 1 98 98 SER N N 98 115.800 115.800 114.628 1.172 19817 1399 1 5 . 1 1 98 98 SER HA H 98 4.280 4.280 3.942 0.338 19817 1400 1 5 . 1 1 98 98 SER CA C 98 62.300 62.300 62.364 -0.064 19817 1401 1 5 . 1 1 98 98 SER CB C 98 62.500 62.500 62.911 -0.411 19817 1402 1 5 . 1 1 98 98 SER H H 98 8.700 8.700 8.510 0.190 19817 1403 1 5 . 1 1 99 99 ASP N N 99 121.600 121.600 121.912 -0.312 19817 1404 1 5 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.547 0.153 19817 1405 1 5 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.108 1.393 19817 1406 1 5 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.978 0.422 19817 1407 1 5 . 1 1 99 99 ASP H H 99 7.510 7.510 7.728 -0.218 19817 1408 1 5 . 1 1 100 100 LEU N N 100 117.900 117.900 119.903 -2.003 19817 1409 1 5 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.221 -0.071 19817 1410 1 5 . 1 1 100 100 LEU CA C 100 58.300 58.300 58.197 0.103 19817 1411 1 5 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.032 -0.433 19817 1412 1 5 . 1 1 100 100 LEU H H 100 8.170 8.170 7.626 0.544 19817 1413 1 5 . 1 1 101 101 PHE N N 101 120.490 120.490 118.967 1.523 19817 1414 1 5 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.596 1.674 19817 1415 1 5 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.359 0.841 19817 1416 1 5 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.588 0.612 19817 1417 1 5 . 1 1 101 101 PHE H H 101 8.760 8.760 7.444 1.316 19817 1418 1 5 . 1 1 102 102 ARG N N 102 115.520 115.520 117.031 -1.511 19817 1419 1 5 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.877 0.093 19817 1420 1 5 . 1 1 102 102 ARG CA C 102 59.200 59.200 58.990 0.210 19817 1421 1 5 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.997 0.403 19817 1422 1 5 . 1 1 102 102 ARG H H 102 7.470 7.470 7.730 -0.260 19817 1423 1 5 . 1 1 103 103 MET N N 103 114.150 114.150 117.623 -3.473 19817 1424 1 5 . 1 1 103 103 MET HA H 103 4.370 4.370 4.091 0.279 19817 1425 1 5 . 1 1 103 103 MET CA C 103 55.900 55.900 58.878 -2.978 19817 1426 1 5 . 1 1 103 103 MET CB C 103 34.300 34.300 32.533 1.767 19817 1427 1 5 . 1 1 103 103 MET H H 103 7.590 7.590 7.573 0.017 19817 1428 1 5 . 1 1 104 104 PHE N N 104 115.060 115.060 119.411 -4.351 19817 1429 1 5 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.386 -0.096 19817 1430 1 5 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.379 -0.979 19817 1431 1 5 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.082 2.618 19817 1432 1 5 . 1 1 104 104 PHE H H 104 7.380 7.380 7.873 -0.493 19817 1433 1 5 . 1 1 105 105 ASP N N 105 116.710 116.710 117.543 -0.833 19817 1434 1 5 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.429 -0.009 19817 1435 1 5 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.103 -1.703 19817 1436 1 5 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.988 -1.988 19817 1437 1 5 . 1 1 105 105 ASP H H 105 7.270 7.270 7.709 -0.439 19817 1438 1 5 . 1 1 106 106 LYS N N 106 124.270 124.270 125.578 -1.308 19817 1439 1 5 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.065 -0.035 19817 1440 1 5 . 1 1 106 106 LYS C C 106 113.428 113.428 177.818 -64.390 19817 1441 1 5 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.045 0.155 19817 1442 1 5 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.207 0.693 19817 1443 1 5 . 1 1 106 106 LYS H H 106 7.510 7.510 8.330 -0.820 19817 1444 1 5 . 1 1 107 107 ASN N N 107 113.600 113.600 116.883 -3.283 19817 1445 1 5 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.569 0.161 19817 1446 1 5 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.669 -1.969 19817 1447 1 5 . 1 1 107 107 ASN CB C 107 36.900 36.900 39.623 -2.724 19817 1448 1 5 . 1 1 107 107 ASN H H 107 8.000 8.000 7.937 0.063 19817 1449 1 5 . 1 1 108 108 ALA N N 108 121.600 121.600 119.791 1.809 19817 1450 1 5 . 1 1 108 108 ALA HA H 108 4.070 4.070 3.939 0.131 19817 1451 1 5 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.123 0.177 19817 1452 1 5 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.000 0.100 19817 1453 1 5 . 1 1 108 108 ALA H H 108 7.810 7.810 8.543 -0.733 19817 1454 1 5 . 1 1 109 109 ASP N N 109 118.480 118.480 118.661 -0.181 19817 1455 1 5 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.448 0.252 19817 1456 1 5 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.362 -1.163 19817 1457 1 5 . 1 1 109 109 ASP CB C 109 41.000 41.000 40.974 0.026 19817 1458 1 5 . 1 1 109 109 ASP H H 109 8.520 8.520 8.063 0.457 19817 1459 1 5 . 1 1 110 110 GLY N N 110 112.250 112.250 105.904 6.346 19817 1460 1 5 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.822 0.178 19817 1461 1 5 . 1 1 110 110 GLY H H 110 10.400 10.400 7.893 2.507 19817 1462 1 5 . 1 1 111 111 TYR N N 111 115.590 115.590 118.996 -3.406 19817 1463 1 5 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.315 -0.145 19817 1464 1 5 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.471 -0.371 19817 1465 1 5 . 1 1 111 111 TYR CB C 111 43.100 43.100 40.718 2.382 19817 1466 1 5 . 1 1 111 111 TYR H H 111 8.000 8.000 8.047 -0.047 19817 1467 1 5 . 1 1 112 112 ILE N N 112 125.560 125.560 123.253 2.307 19817 1468 1 5 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.623 0.137 19817 1469 1 5 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.226 -0.626 19817 1470 1 5 . 1 1 112 112 ILE CB C 112 39.000 39.000 39.016 -0.016 19817 1471 1 5 . 1 1 112 112 ILE H H 112 9.830 9.830 9.424 0.406 19817 1472 1 5 . 1 1 113 113 ASP N N 113 128.350 128.350 126.585 1.765 19817 1473 1 5 . 1 1 113 113 ASP HA H 113 4.960 4.960 4.973 -0.013 19817 1474 1 5 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.144 -0.144 19817 1475 1 5 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.421 -2.221 19817 1476 1 5 . 1 1 113 113 ASP H H 113 9.030 9.030 8.944 0.086 19817 1477 1 5 . 1 1 114 114 LEU N N 114 118.300 118.300 124.305 -6.005 19817 1478 1 5 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.132 -0.152 19817 1479 1 5 . 1 1 114 114 LEU CA C 114 58.800 58.800 57.778 1.022 19817 1480 1 5 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.387 0.213 19817 1481 1 5 . 1 1 114 114 LEU H H 114 8.530 8.530 8.964 -0.434 19817 1482 1 5 . 1 1 115 115 ASP N N 115 118.300 118.300 118.891 -0.591 19817 1483 1 5 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.326 0.044 19817 1484 1 5 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.033 -0.034 19817 1485 1 5 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.345 0.295 19817 1486 1 5 . 1 1 115 115 ASP H H 115 7.920 7.920 9.074 -1.154 19817 1487 1 5 . 1 1 116 116 GLU N N 116 121.400 121.400 120.630 0.770 19817 1488 1 5 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.035 0.595 19817 1489 1 5 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.971 -0.471 19817 1490 1 5 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.515 -0.115 19817 1491 1 5 . 1 1 116 116 GLU H H 116 8.670 8.670 7.875 0.795 19817 1492 1 5 . 1 1 117 117 LEU N N 117 121.200 121.200 121.293 -0.093 19817 1493 1 5 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.075 -0.085 19817 1494 1 5 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.479 0.981 19817 1495 1 5 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.267 -0.217 19817 1496 1 5 . 1 1 117 117 LEU H H 117 8.670 8.670 8.398 0.272 19817 1497 1 5 . 1 1 118 118 LYS N N 118 118.800 118.800 120.707 -1.907 19817 1498 1 5 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.948 -0.128 19817 1499 1 5 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.819 1.481 19817 1500 1 5 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.313 0.187 19817 1501 1 5 . 1 1 118 118 LYS H H 118 8.610 8.610 8.157 0.453 19817 1502 1 5 . 1 1 119 119 ILE N N 119 119.400 119.400 119.033 0.367 19817 1503 1 5 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.902 -0.092 19817 1504 1 5 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.059 1.041 19817 1505 1 5 . 1 1 119 119 ILE CB C 119 38.200 38.200 36.880 1.320 19817 1506 1 5 . 1 1 119 119 ILE H H 119 8.180 8.180 8.434 -0.254 19817 1507 1 5 . 1 1 120 120 MET N N 120 119.340 119.340 118.082 1.258 19817 1508 1 5 . 1 1 120 120 MET HA H 120 3.360 3.360 3.977 -0.617 19817 1509 1 5 . 1 1 120 120 MET CA C 120 57.100 57.100 59.103 -2.003 19817 1510 1 5 . 1 1 120 120 MET CB C 120 31.600 31.600 32.327 -0.727 19817 1511 1 5 . 1 1 120 120 MET H H 120 7.500 7.500 7.225 0.275 19817 1512 1 5 . 1 1 121 121 LEU N N 121 117.920 117.920 120.243 -2.323 19817 1513 1 5 . 1 1 121 121 LEU HA H 121 4.030 4.030 3.969 0.061 19817 1514 1 5 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.812 -0.212 19817 1515 1 5 . 1 1 121 121 LEU CB C 121 41.700 41.700 41.588 0.112 19817 1516 1 5 . 1 1 121 121 LEU H H 121 8.520 8.520 8.104 0.416 19817 1517 1 5 . 1 1 122 122 GLN N N 122 120.780 120.780 118.773 2.007 19817 1518 1 5 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.942 0.168 19817 1519 1 5 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.879 -0.079 19817 1520 1 5 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.378 -0.378 19817 1521 1 5 . 1 1 122 122 GLN H H 122 8.810 8.810 8.842 -0.032 19817 1522 1 5 . 1 1 123 123 ALA N N 123 121.220 121.220 120.983 0.237 19817 1523 1 5 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.112 0.188 19817 1524 1 5 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.503 -0.903 19817 1525 1 5 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.316 0.184 19817 1526 1 5 . 1 1 123 123 ALA H H 123 7.580 7.580 7.605 -0.025 19817 1527 1 5 . 1 1 124 124 THR N N 124 106.720 106.720 108.547 -1.827 19817 1528 1 5 . 1 1 124 124 THR HA H 124 4.050 4.050 4.120 -0.070 19817 1529 1 5 . 1 1 124 124 THR CA C 124 64.200 64.200 63.579 0.621 19817 1530 1 5 . 1 1 124 124 THR CB C 124 71.300 71.300 69.567 1.734 19817 1531 1 5 . 1 1 124 124 THR H H 124 7.490 7.490 7.736 -0.246 19817 1532 1 5 . 1 1 125 125 GLY N N 125 108.350 108.350 109.774 -1.424 19817 1533 1 5 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.726 0.874 19817 1534 1 5 . 1 1 125 125 GLY H H 125 7.680 7.680 7.501 0.179 19817 1535 1 5 . 1 1 126 126 GLU N N 126 120.100 120.100 122.184 -2.084 19817 1536 1 5 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.375 -0.095 19817 1537 1 5 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.484 -1.284 19817 1538 1 5 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.963 1.037 19817 1539 1 5 . 1 1 126 126 GLU H H 126 7.500 7.500 8.461 -0.961 19817 1540 1 5 . 1 1 127 127 THR N N 127 119.830 119.830 114.577 5.253 19817 1541 1 5 . 1 1 127 127 THR HA H 127 4.170 4.170 4.292 -0.122 19817 1542 1 5 . 1 1 127 127 THR CA C 127 63.700 63.700 62.132 1.568 19817 1543 1 5 . 1 1 127 127 THR CB C 127 68.800 68.800 69.395 -0.595 19817 1544 1 5 . 1 1 127 127 THR H H 127 8.650 8.650 8.289 0.361 19817 1545 1 5 . 1 1 128 128 ILE N N 128 128.630 128.630 123.609 5.021 19817 1546 1 5 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.368 0.272 19817 1547 1 5 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.728 -2.028 19817 1548 1 5 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.021 -0.821 19817 1549 1 5 . 1 1 128 128 ILE H H 128 8.370 8.370 8.322 0.048 19817 1550 1 5 . 1 1 129 129 THR N N 129 119.830 119.830 117.317 2.513 19817 1551 1 5 . 1 1 129 129 THR HA H 129 4.750 4.750 4.274 0.476 19817 1552 1 5 . 1 1 129 129 THR CA C 129 59.700 59.700 60.564 -0.864 19817 1553 1 5 . 1 1 129 129 THR CB C 129 72.300 72.300 69.621 2.679 19817 1554 1 5 . 1 1 129 129 THR H H 129 9.680 9.680 8.171 1.509 19817 1555 1 5 . 1 1 130 130 GLU N N 130 119.760 119.760 120.317 -0.557 19817 1556 1 5 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.240 -0.210 19817 1557 1 5 . 1 1 130 130 GLU CA C 130 59.800 59.800 57.133 2.667 19817 1558 1 5 . 1 1 130 130 GLU CB C 130 29.100 29.100 27.365 1.735 19817 1559 1 5 . 1 1 130 130 GLU H H 130 8.920 8.920 8.861 0.059 19817 1560 1 5 . 1 1 131 131 ASP N N 131 117.750 117.750 115.542 2.208 19817 1561 1 5 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.704 -0.324 19817 1562 1 5 . 1 1 131 131 ASP CA C 131 57.300 57.300 54.935 2.365 19817 1563 1 5 . 1 1 131 131 ASP CB C 131 40.800 40.800 41.393 -0.593 19817 1564 1 5 . 1 1 131 131 ASP H H 131 7.830 7.830 8.186 -0.356 19817 1565 1 5 . 1 1 132 132 ASP N N 132 119.880 119.880 121.782 -1.902 19817 1566 1 5 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.428 -0.208 19817 1567 1 5 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.798 1.402 19817 1568 1 5 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.938 1.162 19817 1569 1 5 . 1 1 132 132 ASP H H 132 7.570 7.570 8.318 -0.748 19817 1570 1 5 . 1 1 133 133 ILE N N 133 116.580 116.580 119.025 -2.445 19817 1571 1 5 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.696 -0.356 19817 1572 1 5 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.405 0.095 19817 1573 1 5 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.797 0.903 19817 1574 1 5 . 1 1 133 133 ILE H H 133 7.180 7.180 7.483 -0.303 19817 1575 1 5 . 1 1 134 134 GLU N N 134 117.740 117.740 120.937 -3.197 19817 1576 1 5 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.983 -0.093 19817 1577 1 5 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.630 -0.030 19817 1578 1 5 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.440 0.660 19817 1579 1 5 . 1 1 134 134 GLU H H 134 8.150 8.150 7.811 0.339 19817 1580 1 5 . 1 1 135 135 GLU N N 135 116.300 116.300 119.564 -3.264 19817 1581 1 5 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.045 0.175 19817 1582 1 5 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.072 -0.172 19817 1583 1 5 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.267 0.033 19817 1584 1 5 . 1 1 135 135 GLU H H 135 8.430 8.430 8.001 0.429 19817 1585 1 5 . 1 1 136 136 LEU N N 136 120.700 120.700 121.312 -0.612 19817 1586 1 5 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.146 0.114 19817 1587 1 5 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.848 -0.448 19817 1588 1 5 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.001 -0.301 19817 1589 1 5 . 1 1 136 136 LEU H H 136 8.100 8.100 8.124 -0.024 19817 1590 1 5 . 1 1 137 137 MET N N 137 117.930 117.930 117.817 0.113 19817 1591 1 5 . 1 1 137 137 MET HA H 137 4.290 4.290 4.253 0.037 19817 1592 1 5 . 1 1 137 137 MET CA C 137 57.700 57.700 59.675 -1.975 19817 1593 1 5 . 1 1 137 137 MET CB C 137 30.600 30.600 32.339 -1.739 19817 1594 1 5 . 1 1 137 137 MET H H 137 8.180 8.180 8.159 0.021 19817 1595 1 5 . 1 1 138 138 LYS N N 138 117.370 117.370 119.517 -2.147 19817 1596 1 5 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.105 -0.035 19817 1597 1 5 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.270 -0.270 19817 1598 1 5 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.938 0.662 19817 1599 1 5 . 1 1 138 138 LYS H H 138 8.060 8.060 8.338 -0.278 19817 1600 1 5 . 1 1 139 139 ASP N N 139 117.330 117.330 117.822 -0.492 19817 1601 1 5 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.239 0.141 19817 1602 1 5 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.957 -0.257 19817 1603 1 5 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.930 2.270 19817 1604 1 5 . 1 1 139 139 ASP H H 139 7.650 7.650 7.687 -0.037 19817 1605 1 5 . 1 1 140 140 GLY N N 140 101.850 101.850 104.955 -3.105 19817 1606 1 5 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.150 2.050 19817 1607 1 5 . 1 1 140 140 GLY H H 140 7.850 7.850 6.868 0.982 19817 1608 1 5 . 1 1 141 141 ASP N N 141 120.420 120.420 123.727 -3.307 19817 1609 1 5 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.580 -0.010 19817 1610 1 5 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.549 -1.349 19817 1611 1 5 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.998 -0.498 19817 1612 1 5 . 1 1 141 141 ASP H H 141 8.500 8.500 8.216 0.284 19817 1613 1 5 . 1 1 142 142 LYS N N 142 125.890 125.890 121.809 4.081 19817 1614 1 5 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.014 0.136 19817 1615 1 5 . 1 1 142 142 LYS CA C 142 57.900 57.900 57.956 -0.056 19817 1616 1 5 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.641 0.359 19817 1617 1 5 . 1 1 142 142 LYS H H 142 7.740 7.740 7.829 -0.089 19817 1618 1 5 . 1 1 143 143 ASN N N 143 113.610 113.610 117.616 -4.006 19817 1619 1 5 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.779 0.021 19817 1620 1 5 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.064 -0.364 19817 1621 1 5 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.828 -2.628 19817 1622 1 5 . 1 1 143 143 ASN H H 143 8.120 8.120 7.968 0.152 19817 1623 1 5 . 1 1 144 144 ASN N N 144 115.900 115.900 123.986 -8.086 19817 1624 1 5 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.672 -0.172 19817 1625 1 5 . 1 1 144 144 ASN CA C 144 55.100 55.100 53.442 1.658 19817 1626 1 5 . 1 1 144 144 ASN CB C 144 37.800 37.800 38.667 -0.867 19817 1627 1 5 . 1 1 144 144 ASN H H 144 7.720 7.720 8.872 -1.152 19817 1628 1 5 . 1 1 145 145 ASP N N 145 118.570 118.570 125.161 -6.591 19817 1629 1 5 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.625 0.085 19817 1630 1 5 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.413 -0.413 19817 1631 1 5 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.485 0.515 19817 1632 1 5 . 1 1 145 145 ASP H H 145 8.680 8.680 8.498 0.182 19817 1633 1 5 . 1 1 146 146 GLY N N 146 112.940 112.940 109.384 3.556 19817 1634 1 5 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.167 0.533 19817 1635 1 5 . 1 1 146 146 GLY H H 146 10.320 10.320 8.779 1.541 19817 1636 1 5 . 1 1 147 147 ARG N N 147 115.440 115.440 119.312 -3.872 19817 1637 1 5 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.862 0.048 19817 1638 1 5 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.248 -0.248 19817 1639 1 5 . 1 1 147 147 ARG CB C 147 34.400 34.400 34.148 0.252 19817 1640 1 5 . 1 1 147 147 ARG H H 147 7.690 7.690 7.568 0.122 19817 1641 1 5 . 1 1 148 148 ILE N N 148 126.090 126.090 121.635 4.455 19817 1642 1 5 . 1 1 148 148 ILE HA H 148 5.050 5.050 5.119 -0.069 19817 1643 1 5 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.896 1.704 19817 1644 1 5 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.883 2.116 19817 1645 1 5 . 1 1 148 148 ILE H H 148 9.430 9.430 8.725 0.705 19817 1646 1 5 . 1 1 149 149 ASP N N 149 129.170 129.170 128.578 0.592 19817 1647 1 5 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.256 -0.096 19817 1648 1 5 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.459 -0.959 19817 1649 1 5 . 1 1 149 149 ASP CB C 149 41.900 41.900 44.319 -2.420 19817 1650 1 5 . 1 1 149 149 ASP H H 149 9.390 9.390 9.455 -0.065 19817 1651 1 5 . 1 1 150 150 TYR N N 150 118.600 118.600 121.951 -3.351 19817 1652 1 5 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.454 -0.074 19817 1653 1 5 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.250 -0.050 19817 1654 1 5 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.452 -0.252 19817 1655 1 5 . 1 1 150 150 TYR H H 150 8.420 8.420 9.116 -0.696 19817 1656 1 5 . 1 1 151 151 ASP N N 151 118.060 118.060 118.065 -0.005 19817 1657 1 5 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.334 -0.254 19817 1658 1 5 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.009 -0.109 19817 1659 1 5 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.485 0.115 19817 1660 1 5 . 1 1 151 151 ASP H H 151 7.740 7.740 8.062 -0.322 19817 1661 1 5 . 1 1 152 152 GLU N N 152 120.480 120.480 119.832 0.648 19817 1662 1 5 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.055 -0.025 19817 1663 1 5 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.094 -0.394 19817 1664 1 5 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.534 0.166 19817 1665 1 5 . 1 1 152 152 GLU H H 152 8.880 8.880 8.202 0.678 19817 1666 1 5 . 1 1 153 153 PHE N N 153 124.990 124.990 120.969 4.021 19817 1667 1 5 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.571 -0.571 19817 1668 1 5 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.504 0.296 19817 1669 1 5 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.368 0.432 19817 1670 1 5 . 1 1 153 153 PHE H H 153 9.280 9.280 8.648 0.632 19817 1671 1 5 . 1 1 154 154 LEU N N 154 117.780 117.780 118.383 -0.603 19817 1672 1 5 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.798 -0.148 19817 1673 1 5 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.954 0.246 19817 1674 1 5 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.863 0.537 19817 1675 1 5 . 1 1 154 154 LEU H H 154 7.880 7.880 8.019 -0.139 19817 1676 1 5 . 1 1 155 155 GLU N N 155 116.556 116.556 118.807 -2.251 19817 1677 1 5 . 1 1 155 155 GLU HA H 155 4.050 4.050 4.052 -0.002 19817 1678 1 5 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.683 0.217 19817 1679 1 5 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.509 0.991 19817 1680 1 5 . 1 1 155 155 GLU H H 155 6.910 6.910 7.558 -0.648 19817 1681 1 5 . 1 1 156 156 PHE N N 156 121.800 121.800 119.691 2.109 19817 1682 1 5 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.289 -0.169 19817 1683 1 5 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.351 -2.751 19817 1684 1 5 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.423 2.477 19817 1685 1 5 . 1 1 156 156 PHE H H 156 8.610 8.610 7.646 0.964 19817 1686 1 5 . 1 1 157 157 MET N N 157 111.800 111.800 115.721 -3.921 19817 1687 1 5 . 1 1 157 157 MET HA H 157 4.360 4.360 4.081 0.279 19817 1688 1 5 . 1 1 157 157 MET CA C 157 53.300 53.300 58.166 -4.866 19817 1689 1 5 . 1 1 157 157 MET CB C 157 32.500 32.500 32.218 0.283 19817 1690 1 5 . 1 1 157 157 MET H H 157 7.490 7.490 8.040 -0.550 19817 1691 1 5 . 1 1 158 158 LYS N N 158 121.970 121.970 116.042 5.928 19817 1692 1 5 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.053 -0.103 19817 1693 1 5 . 1 1 158 158 LYS CA C 158 59.300 59.300 57.763 1.537 19817 1694 1 5 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.140 0.260 19817 1695 1 5 . 1 1 158 158 LYS H H 158 7.110 7.110 7.512 -0.402 19817 1696 1 5 . 1 1 159 159 ASP N N 159 116.800 116.800 120.435 -3.635 19817 1697 1 5 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.587 -0.147 19817 1698 1 5 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.589 0.311 19817 1699 1 5 . 1 1 159 159 ASP CB C 159 40.400 40.400 38.905 1.495 19817 1700 1 5 . 1 1 159 159 ASP H H 159 8.470 8.470 7.728 0.742 19817 1701 1 5 . 1 1 160 160 VAL N N 160 119.800 119.800 119.930 -0.130 19817 1702 1 5 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.769 0.021 19817 1703 1 5 . 1 1 160 160 VAL CA C 160 63.300 63.300 64.927 -1.627 19817 1704 1 5 . 1 1 160 160 VAL CB C 160 32.100 32.100 32.378 -0.278 19817 1705 1 5 . 1 1 160 160 VAL H H 160 7.270 7.270 8.161 -0.891 19817 1706 1 6 . 1 1 91 91 GLY N N 91 123.830 123.830 107.879 15.951 19817 1707 1 6 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.877 -0.877 19817 1708 1 6 . 1 1 91 91 GLY H H 91 6.020 6.020 8.979 -2.959 19817 1709 1 6 . 1 1 92 92 LYS N N 92 121.100 121.100 118.367 2.733 19817 1710 1 6 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.764 -0.334 19817 1711 1 6 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.365 -0.365 19817 1712 1 6 . 1 1 92 92 LYS CB C 92 33.800 33.800 35.083 -1.283 19817 1713 1 6 . 1 1 92 92 LYS H H 92 8.610 8.610 8.612 -0.002 19817 1714 1 6 . 1 1 93 93 SER N N 93 117.190 117.190 113.143 4.047 19817 1715 1 6 . 1 1 93 93 SER HA H 93 4.470 4.470 4.573 -0.103 19817 1716 1 6 . 1 1 93 93 SER CA C 93 58.100 58.100 59.642 -1.542 19817 1717 1 6 . 1 1 93 93 SER CB C 93 65.000 65.000 63.384 1.616 19817 1718 1 6 . 1 1 93 93 SER H H 93 8.760 8.760 8.069 0.691 19817 1719 1 6 . 1 1 94 94 GLU N N 94 122.350 122.350 122.277 0.073 19817 1720 1 6 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.244 -0.244 19817 1721 1 6 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.063 -0.063 19817 1722 1 6 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.518 -0.418 19817 1723 1 6 . 1 1 94 94 GLU H H 94 8.890 8.890 8.725 0.165 19817 1724 1 6 . 1 1 95 95 GLU N N 95 119.160 119.160 117.636 1.524 19817 1725 1 6 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.102 -0.012 19817 1726 1 6 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.937 -0.237 19817 1727 1 6 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.413 -0.213 19817 1728 1 6 . 1 1 95 95 GLU H H 95 8.610 8.610 8.581 0.029 19817 1729 1 6 . 1 1 96 96 GLU N N 96 120.300 120.300 119.932 0.368 19817 1730 1 6 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.177 0.113 19817 1731 1 6 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.282 -0.283 19817 1732 1 6 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.038 1.162 19817 1733 1 6 . 1 1 96 96 GLU H H 96 7.930 7.930 8.242 -0.312 19817 1734 1 6 . 1 1 97 97 LEU N N 97 119.340 119.340 120.633 -1.293 19817 1735 1 6 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.110 0.160 19817 1736 1 6 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.571 -0.070 19817 1737 1 6 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.673 0.227 19817 1738 1 6 . 1 1 97 97 LEU H H 97 8.520 8.520 8.842 -0.322 19817 1739 1 6 . 1 1 98 98 SER N N 98 115.800 115.800 115.514 0.286 19817 1740 1 6 . 1 1 98 98 SER HA H 98 4.280 4.280 4.321 -0.041 19817 1741 1 6 . 1 1 98 98 SER CA C 98 62.300 62.300 63.116 -0.816 19817 1742 1 6 . 1 1 98 98 SER CB C 98 62.500 62.500 62.766 -0.266 19817 1743 1 6 . 1 1 98 98 SER H H 98 8.700 8.700 8.815 -0.115 19817 1744 1 6 . 1 1 99 99 ASP N N 99 121.600 121.600 122.505 -0.905 19817 1745 1 6 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.490 0.210 19817 1746 1 6 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.278 1.222 19817 1747 1 6 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.977 0.423 19817 1748 1 6 . 1 1 99 99 ASP H H 99 7.510 7.510 7.671 -0.161 19817 1749 1 6 . 1 1 100 100 LEU N N 100 117.900 117.900 120.012 -2.112 19817 1750 1 6 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.125 0.025 19817 1751 1 6 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.801 0.499 19817 1752 1 6 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.008 -0.408 19817 1753 1 6 . 1 1 100 100 LEU H H 100 8.170 8.170 8.185 -0.015 19817 1754 1 6 . 1 1 101 101 PHE N N 101 120.490 120.490 119.962 0.528 19817 1755 1 6 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.905 1.365 19817 1756 1 6 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.271 0.929 19817 1757 1 6 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.752 0.448 19817 1758 1 6 . 1 1 101 101 PHE H H 101 8.760 8.760 8.986 -0.226 19817 1759 1 6 . 1 1 102 102 ARG N N 102 115.520 115.520 119.491 -3.971 19817 1760 1 6 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.907 0.063 19817 1761 1 6 . 1 1 102 102 ARG CA C 102 59.200 59.200 58.102 1.098 19817 1762 1 6 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.469 0.931 19817 1763 1 6 . 1 1 102 102 ARG H H 102 7.470 7.470 7.963 -0.493 19817 1764 1 6 . 1 1 103 103 MET N N 103 114.150 114.150 116.949 -2.799 19817 1765 1 6 . 1 1 103 103 MET HA H 103 4.370 4.370 3.976 0.394 19817 1766 1 6 . 1 1 103 103 MET CA C 103 55.900 55.900 59.090 -3.190 19817 1767 1 6 . 1 1 103 103 MET CB C 103 34.300 34.300 32.384 1.916 19817 1768 1 6 . 1 1 103 103 MET H H 103 7.590 7.590 7.812 -0.222 19817 1769 1 6 . 1 1 104 104 PHE N N 104 115.060 115.060 119.109 -4.049 19817 1770 1 6 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.440 -0.150 19817 1771 1 6 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.827 -0.427 19817 1772 1 6 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.234 2.466 19817 1773 1 6 . 1 1 104 104 PHE H H 104 7.380 7.380 7.469 -0.089 19817 1774 1 6 . 1 1 105 105 ASP N N 105 116.710 116.710 118.559 -1.849 19817 1775 1 6 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.968 -0.548 19817 1776 1 6 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.692 -0.292 19817 1777 1 6 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.049 -0.049 19817 1778 1 6 . 1 1 105 105 ASP H H 105 7.270 7.270 8.252 -0.982 19817 1779 1 6 . 1 1 106 106 LYS N N 106 124.270 124.270 124.551 -0.281 19817 1780 1 6 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.020 0.010 19817 1781 1 6 . 1 1 106 106 LYS C C 106 113.428 113.428 177.738 -64.310 19817 1782 1 6 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.593 -0.392 19817 1783 1 6 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.346 0.554 19817 1784 1 6 . 1 1 106 106 LYS H H 106 7.510 7.510 8.099 -0.589 19817 1785 1 6 . 1 1 107 107 ASN N N 107 113.600 113.600 115.627 -2.027 19817 1786 1 6 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.627 0.103 19817 1787 1 6 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.983 -1.284 19817 1788 1 6 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.673 -1.773 19817 1789 1 6 . 1 1 107 107 ASN H H 107 8.000 8.000 8.244 -0.244 19817 1790 1 6 . 1 1 108 108 ALA N N 108 121.600 121.600 119.364 2.236 19817 1791 1 6 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.108 -0.038 19817 1792 1 6 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.408 -0.108 19817 1793 1 6 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.773 0.327 19817 1794 1 6 . 1 1 108 108 ALA H H 108 7.810 7.810 7.478 0.332 19817 1795 1 6 . 1 1 109 109 ASP N N 109 118.480 118.480 117.833 0.647 19817 1796 1 6 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.483 0.217 19817 1797 1 6 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.867 -1.667 19817 1798 1 6 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.419 -0.419 19817 1799 1 6 . 1 1 109 109 ASP H H 109 8.520 8.520 8.285 0.235 19817 1800 1 6 . 1 1 110 110 GLY N N 110 112.250 112.250 107.445 4.805 19817 1801 1 6 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.801 0.199 19817 1802 1 6 . 1 1 110 110 GLY H H 110 10.400 10.400 8.893 1.507 19817 1803 1 6 . 1 1 111 111 TYR N N 111 115.590 115.590 118.996 -3.406 19817 1804 1 6 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.238 -0.068 19817 1805 1 6 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.840 -0.740 19817 1806 1 6 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.572 1.528 19817 1807 1 6 . 1 1 111 111 TYR H H 111 8.000 8.000 8.456 -0.456 19817 1808 1 6 . 1 1 112 112 ILE N N 112 125.560 125.560 123.259 2.301 19817 1809 1 6 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.138 0.622 19817 1810 1 6 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.673 -1.073 19817 1811 1 6 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.288 0.712 19817 1812 1 6 . 1 1 112 112 ILE H H 112 9.830 9.830 9.248 0.582 19817 1813 1 6 . 1 1 113 113 ASP N N 113 128.350 128.350 128.133 0.217 19817 1814 1 6 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.026 -0.066 19817 1815 1 6 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.428 -1.428 19817 1816 1 6 . 1 1 113 113 ASP CB C 113 42.200 42.200 42.896 -0.696 19817 1817 1 6 . 1 1 113 113 ASP H H 113 9.030 9.030 9.205 -0.175 19817 1818 1 6 . 1 1 114 114 LEU N N 114 118.300 118.300 121.897 -3.597 19817 1819 1 6 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.009 -0.029 19817 1820 1 6 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.431 0.369 19817 1821 1 6 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.651 0.949 19817 1822 1 6 . 1 1 114 114 LEU H H 114 8.530 8.530 8.611 -0.081 19817 1823 1 6 . 1 1 115 115 ASP N N 115 118.300 118.300 119.510 -1.210 19817 1824 1 6 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.191 0.179 19817 1825 1 6 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.709 0.291 19817 1826 1 6 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.447 0.193 19817 1827 1 6 . 1 1 115 115 ASP H H 115 7.920 7.920 8.451 -0.531 19817 1828 1 6 . 1 1 116 116 GLU N N 116 121.400 121.400 120.666 0.734 19817 1829 1 6 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.044 0.586 19817 1830 1 6 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.977 -0.478 19817 1831 1 6 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.456 -0.056 19817 1832 1 6 . 1 1 116 116 GLU H H 116 8.670 8.670 8.083 0.587 19817 1833 1 6 . 1 1 117 117 LEU N N 117 121.200 121.200 121.039 0.161 19817 1834 1 6 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.091 -0.101 19817 1835 1 6 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.070 0.390 19817 1836 1 6 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.100 -0.050 19817 1837 1 6 . 1 1 117 117 LEU H H 117 8.670 8.670 8.173 0.497 19817 1838 1 6 . 1 1 118 118 LYS N N 118 118.800 118.800 119.659 -0.859 19817 1839 1 6 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.902 -0.082 19817 1840 1 6 . 1 1 118 118 LYS CA C 118 61.300 61.300 60.085 1.215 19817 1841 1 6 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.242 0.258 19817 1842 1 6 . 1 1 118 118 LYS H H 118 8.610 8.610 8.009 0.601 19817 1843 1 6 . 1 1 119 119 ILE N N 119 119.400 119.400 119.138 0.262 19817 1844 1 6 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.644 0.166 19817 1845 1 6 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.258 -0.158 19817 1846 1 6 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.909 0.291 19817 1847 1 6 . 1 1 119 119 ILE H H 119 8.180 8.180 7.548 0.632 19817 1848 1 6 . 1 1 120 120 MET N N 120 119.340 119.340 117.610 1.730 19817 1849 1 6 . 1 1 120 120 MET HA H 120 3.360 3.360 4.158 -0.798 19817 1850 1 6 . 1 1 120 120 MET CA C 120 57.100 57.100 58.811 -1.711 19817 1851 1 6 . 1 1 120 120 MET CB C 120 31.600 31.600 32.321 -0.721 19817 1852 1 6 . 1 1 120 120 MET H H 120 7.500 7.500 7.365 0.135 19817 1853 1 6 . 1 1 121 121 LEU N N 121 117.920 117.920 121.850 -3.930 19817 1854 1 6 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.052 -0.022 19817 1855 1 6 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.886 -0.286 19817 1856 1 6 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.388 1.312 19817 1857 1 6 . 1 1 121 121 LEU H H 121 8.520 8.520 8.895 -0.375 19817 1858 1 6 . 1 1 122 122 GLN N N 122 120.780 120.780 118.922 1.858 19817 1859 1 6 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.221 -0.111 19817 1860 1 6 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.649 0.151 19817 1861 1 6 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.657 -0.656 19817 1862 1 6 . 1 1 122 122 GLN H H 122 8.810 8.810 8.301 0.509 19817 1863 1 6 . 1 1 123 123 ALA N N 123 121.220 121.220 119.266 1.954 19817 1864 1 6 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.176 0.124 19817 1865 1 6 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.188 -0.588 19817 1866 1 6 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.537 -0.037 19817 1867 1 6 . 1 1 123 123 ALA H H 123 7.580 7.580 7.354 0.226 19817 1868 1 6 . 1 1 124 124 THR N N 124 106.720 106.720 112.755 -6.035 19817 1869 1 6 . 1 1 124 124 THR HA H 124 4.050 4.050 4.088 -0.038 19817 1870 1 6 . 1 1 124 124 THR CA C 124 64.200 64.200 64.914 -0.714 19817 1871 1 6 . 1 1 124 124 THR CB C 124 71.300 71.300 69.488 1.812 19817 1872 1 6 . 1 1 124 124 THR H H 124 7.490 7.490 7.739 -0.249 19817 1873 1 6 . 1 1 125 125 GLY N N 125 108.350 108.350 108.872 -0.522 19817 1874 1 6 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.192 0.408 19817 1875 1 6 . 1 1 125 125 GLY H H 125 7.680 7.680 8.028 -0.348 19817 1876 1 6 . 1 1 126 126 GLU N N 126 120.100 120.100 122.012 -1.912 19817 1877 1 6 . 1 1 126 126 GLU HA H 126 4.280 4.280 3.881 0.399 19817 1878 1 6 . 1 1 126 126 GLU CA C 126 55.200 55.200 58.781 -3.581 19817 1879 1 6 . 1 1 126 126 GLU CB C 126 31.000 31.000 28.675 2.325 19817 1880 1 6 . 1 1 126 126 GLU H H 126 7.500 7.500 8.584 -1.084 19817 1881 1 6 . 1 1 127 127 THR N N 127 119.830 119.830 117.676 2.154 19817 1882 1 6 . 1 1 127 127 THR HA H 127 4.170 4.170 4.540 -0.370 19817 1883 1 6 . 1 1 127 127 THR CA C 127 63.700 63.700 61.312 2.388 19817 1884 1 6 . 1 1 127 127 THR CB C 127 68.800 68.800 69.932 -1.132 19817 1885 1 6 . 1 1 127 127 THR H H 127 8.650 8.650 8.177 0.473 19817 1886 1 6 . 1 1 128 128 ILE N N 128 128.630 128.630 125.506 3.124 19817 1887 1 6 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.354 0.286 19817 1888 1 6 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.064 -1.364 19817 1889 1 6 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.620 -1.419 19817 1890 1 6 . 1 1 128 128 ILE H H 128 8.370 8.370 8.349 0.021 19817 1891 1 6 . 1 1 129 129 THR N N 129 119.830 119.830 118.694 1.136 19817 1892 1 6 . 1 1 129 129 THR HA H 129 4.750 4.750 4.395 0.355 19817 1893 1 6 . 1 1 129 129 THR CA C 129 59.700 59.700 60.471 -0.771 19817 1894 1 6 . 1 1 129 129 THR CB C 129 72.300 72.300 70.183 2.117 19817 1895 1 6 . 1 1 129 129 THR H H 129 9.680 9.680 8.206 1.474 19817 1896 1 6 . 1 1 130 130 GLU N N 130 119.760 119.760 121.162 -1.402 19817 1897 1 6 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.963 0.067 19817 1898 1 6 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.145 -0.346 19817 1899 1 6 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.966 0.134 19817 1900 1 6 . 1 1 130 130 GLU H H 130 8.920 8.920 8.901 0.019 19817 1901 1 6 . 1 1 131 131 ASP N N 131 117.750 117.750 116.714 1.036 19817 1902 1 6 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.439 -0.059 19817 1903 1 6 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.715 -0.415 19817 1904 1 6 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.656 1.144 19817 1905 1 6 . 1 1 131 131 ASP H H 131 7.830 7.830 8.680 -0.850 19817 1906 1 6 . 1 1 132 132 ASP N N 132 119.880 119.880 120.768 -0.888 19817 1907 1 6 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.416 -0.196 19817 1908 1 6 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.240 0.960 19817 1909 1 6 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.972 1.128 19817 1910 1 6 . 1 1 132 132 ASP H H 132 7.570 7.570 7.895 -0.325 19817 1911 1 6 . 1 1 133 133 ILE N N 133 116.580 116.580 119.934 -3.354 19817 1912 1 6 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.650 -0.310 19817 1913 1 6 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.372 0.128 19817 1914 1 6 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.882 0.818 19817 1915 1 6 . 1 1 133 133 ILE H H 133 7.180 7.180 7.598 -0.418 19817 1916 1 6 . 1 1 134 134 GLU N N 134 117.740 117.740 121.060 -3.320 19817 1917 1 6 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.879 0.011 19817 1918 1 6 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.995 -0.395 19817 1919 1 6 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.642 0.458 19817 1920 1 6 . 1 1 134 134 GLU H H 134 8.150 8.150 8.487 -0.337 19817 1921 1 6 . 1 1 135 135 GLU N N 135 116.300 116.300 119.551 -3.251 19817 1922 1 6 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.057 0.163 19817 1923 1 6 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.217 -0.317 19817 1924 1 6 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.321 -0.021 19817 1925 1 6 . 1 1 135 135 GLU H H 135 8.430 8.430 8.756 -0.326 19817 1926 1 6 . 1 1 136 136 LEU N N 136 120.700 120.700 121.222 -0.522 19817 1927 1 6 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.134 0.126 19817 1928 1 6 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.944 -0.544 19817 1929 1 6 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.038 -0.338 19817 1930 1 6 . 1 1 136 136 LEU H H 136 8.100 8.100 8.118 -0.018 19817 1931 1 6 . 1 1 137 137 MET N N 137 117.930 117.930 117.141 0.789 19817 1932 1 6 . 1 1 137 137 MET HA H 137 4.290 4.290 4.197 0.093 19817 1933 1 6 . 1 1 137 137 MET CA C 137 57.700 57.700 59.180 -1.480 19817 1934 1 6 . 1 1 137 137 MET CB C 137 30.600 30.600 32.741 -2.141 19817 1935 1 6 . 1 1 137 137 MET H H 137 8.180 8.180 7.806 0.374 19817 1936 1 6 . 1 1 138 138 LYS N N 138 117.370 117.370 118.727 -1.357 19817 1937 1 6 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.027 0.043 19817 1938 1 6 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.062 -0.062 19817 1939 1 6 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.139 0.461 19817 1940 1 6 . 1 1 138 138 LYS H H 138 8.060 8.060 8.562 -0.502 19817 1941 1 6 . 1 1 139 139 ASP N N 139 117.330 117.330 117.211 0.119 19817 1942 1 6 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.385 -0.005 19817 1943 1 6 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.325 0.375 19817 1944 1 6 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.024 2.176 19817 1945 1 6 . 1 1 139 139 ASP H H 139 7.650 7.650 7.896 -0.246 19817 1946 1 6 . 1 1 140 140 GLY N N 140 101.850 101.850 102.967 -1.117 19817 1947 1 6 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.101 2.099 19817 1948 1 6 . 1 1 140 140 GLY H H 140 7.850 7.850 7.511 0.339 19817 1949 1 6 . 1 1 141 141 ASP N N 141 120.420 120.420 121.519 -1.099 19817 1950 1 6 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.941 -0.371 19817 1951 1 6 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.479 -1.279 19817 1952 1 6 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.162 -1.662 19817 1953 1 6 . 1 1 141 141 ASP H H 141 8.500 8.500 7.936 0.564 19817 1954 1 6 . 1 1 142 142 LYS N N 142 125.890 125.890 125.003 0.887 19817 1955 1 6 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.359 -0.209 19817 1956 1 6 . 1 1 142 142 LYS CA C 142 57.900 57.900 57.221 0.679 19817 1957 1 6 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.839 0.161 19817 1958 1 6 . 1 1 142 142 LYS H H 142 7.740 7.740 8.240 -0.500 19817 1959 1 6 . 1 1 143 143 ASN N N 143 113.610 113.610 117.371 -3.761 19817 1960 1 6 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.748 0.052 19817 1961 1 6 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.930 -1.230 19817 1962 1 6 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.898 -1.698 19817 1963 1 6 . 1 1 143 143 ASN H H 143 8.120 8.120 7.904 0.216 19817 1964 1 6 . 1 1 144 144 ASN N N 144 115.900 115.900 115.980 -0.080 19817 1965 1 6 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.470 0.030 19817 1966 1 6 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.256 0.844 19817 1967 1 6 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.380 0.420 19817 1968 1 6 . 1 1 144 144 ASN H H 144 7.720 7.720 8.243 -0.523 19817 1969 1 6 . 1 1 145 145 ASP N N 145 118.570 118.570 115.923 2.647 19817 1970 1 6 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.722 -0.012 19817 1971 1 6 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.380 -0.380 19817 1972 1 6 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.059 -0.059 19817 1973 1 6 . 1 1 145 145 ASP H H 145 8.680 8.680 8.671 0.009 19817 1974 1 6 . 1 1 146 146 GLY N N 146 112.940 112.940 108.161 4.779 19817 1975 1 6 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.462 0.238 19817 1976 1 6 . 1 1 146 146 GLY H H 146 10.320 10.320 8.048 2.272 19817 1977 1 6 . 1 1 147 147 ARG N N 147 115.440 115.440 118.444 -3.004 19817 1978 1 6 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.883 0.027 19817 1979 1 6 . 1 1 147 147 ARG CA C 147 54.000 54.000 53.962 0.038 19817 1980 1 6 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.960 0.440 19817 1981 1 6 . 1 1 147 147 ARG H H 147 7.690 7.690 8.356 -0.666 19817 1982 1 6 . 1 1 148 148 ILE N N 148 126.090 126.090 121.883 4.207 19817 1983 1 6 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.622 0.428 19817 1984 1 6 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.380 2.220 19817 1985 1 6 . 1 1 148 148 ILE CB C 148 40.000 40.000 38.253 1.747 19817 1986 1 6 . 1 1 148 148 ILE H H 148 9.430 9.430 8.291 1.139 19817 1987 1 6 . 1 1 149 149 ASP N N 149 129.170 129.170 128.672 0.498 19817 1988 1 6 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.186 -0.026 19817 1989 1 6 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.075 -0.575 19817 1990 1 6 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.854 -1.954 19817 1991 1 6 . 1 1 149 149 ASP H H 149 9.390 9.390 8.939 0.451 19817 1992 1 6 . 1 1 150 150 TYR N N 150 118.600 118.600 122.206 -3.606 19817 1993 1 6 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.470 -0.090 19817 1994 1 6 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.045 0.155 19817 1995 1 6 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.299 -0.099 19817 1996 1 6 . 1 1 150 150 TYR H H 150 8.420 8.420 8.869 -0.449 19817 1997 1 6 . 1 1 151 151 ASP N N 151 118.060 118.060 118.591 -0.531 19817 1998 1 6 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.288 -0.208 19817 1999 1 6 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.625 -0.725 19817 2000 1 6 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.609 -0.009 19817 2001 1 6 . 1 1 151 151 ASP H H 151 7.740 7.740 8.743 -1.003 19817 2002 1 6 . 1 1 152 152 GLU N N 152 120.480 120.480 118.931 1.549 19817 2003 1 6 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.157 -0.127 19817 2004 1 6 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.897 -0.197 19817 2005 1 6 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.801 -0.101 19817 2006 1 6 . 1 1 152 152 GLU H H 152 8.880 8.880 8.320 0.560 19817 2007 1 6 . 1 1 153 153 PHE N N 153 124.990 124.990 121.415 3.575 19817 2008 1 6 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.281 -0.281 19817 2009 1 6 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.338 0.462 19817 2010 1 6 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.447 0.353 19817 2011 1 6 . 1 1 153 153 PHE H H 153 9.280 9.280 8.575 0.705 19817 2012 1 6 . 1 1 154 154 LEU N N 154 117.780 117.780 117.320 0.460 19817 2013 1 6 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.753 -0.103 19817 2014 1 6 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.705 0.495 19817 2015 1 6 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.250 0.150 19817 2016 1 6 . 1 1 154 154 LEU H H 154 7.880 7.880 7.974 -0.094 19817 2017 1 6 . 1 1 155 155 GLU N N 155 116.556 116.556 118.852 -2.296 19817 2018 1 6 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.926 0.124 19817 2019 1 6 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.857 0.043 19817 2020 1 6 . 1 1 155 155 GLU CB C 155 29.500 29.500 29.168 0.332 19817 2021 1 6 . 1 1 155 155 GLU H H 155 6.910 6.910 8.278 -1.368 19817 2022 1 6 . 1 1 156 156 PHE N N 156 121.800 121.800 117.847 3.953 19817 2023 1 6 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.159 -0.039 19817 2024 1 6 . 1 1 156 156 PHE CA C 156 58.600 58.600 60.973 -2.373 19817 2025 1 6 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.827 2.073 19817 2026 1 6 . 1 1 156 156 PHE H H 156 8.610 8.610 7.671 0.939 19817 2027 1 6 . 1 1 157 157 MET N N 157 111.800 111.800 115.162 -3.362 19817 2028 1 6 . 1 1 157 157 MET HA H 157 4.360 4.360 4.503 -0.143 19817 2029 1 6 . 1 1 157 157 MET CA C 157 53.300 53.300 54.103 -0.804 19817 2030 1 6 . 1 1 157 157 MET CB C 157 32.500 32.500 31.875 0.625 19817 2031 1 6 . 1 1 157 157 MET H H 157 7.490 7.490 7.640 -0.150 19817 2032 1 6 . 1 1 158 158 LYS N N 158 121.970 121.970 121.452 0.518 19817 2033 1 6 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.125 -0.175 19817 2034 1 6 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.399 0.901 19817 2035 1 6 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.845 -0.445 19817 2036 1 6 . 1 1 158 158 LYS H H 158 7.110 7.110 7.744 -0.634 19817 2037 1 6 . 1 1 159 159 ASP N N 159 116.800 116.800 119.107 -2.307 19817 2038 1 6 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.849 -0.409 19817 2039 1 6 . 1 1 159 159 ASP CA C 159 54.900 54.900 53.625 1.275 19817 2040 1 6 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.367 0.033 19817 2041 1 6 . 1 1 159 159 ASP H H 159 8.470 8.470 8.500 -0.030 19817 2042 1 6 . 1 1 160 160 VAL N N 160 119.800 119.800 120.610 -0.810 19817 2043 1 6 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.388 -0.598 19817 2044 1 6 . 1 1 160 160 VAL CA C 160 63.300 63.300 62.080 1.220 19817 2045 1 6 . 1 1 160 160 VAL CB C 160 32.100 32.100 33.242 -1.142 19817 2046 1 6 . 1 1 160 160 VAL H H 160 7.270 7.270 8.332 -1.062 19817 2047 1 7 . 1 1 91 91 GLY N N 91 123.830 123.830 115.574 8.256 19817 2048 1 7 . 1 1 91 91 GLY CA C 91 45.000 45.000 46.495 -1.495 19817 2049 1 7 . 1 1 91 91 GLY H H 91 6.020 6.020 8.596 -2.576 19817 2050 1 7 . 1 1 92 92 LYS N N 92 121.100 121.100 123.400 -2.300 19817 2051 1 7 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.611 -0.181 19817 2052 1 7 . 1 1 92 92 LYS CA C 92 56.000 56.000 55.410 0.590 19817 2053 1 7 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.613 0.187 19817 2054 1 7 . 1 1 92 92 LYS H H 92 8.610 8.610 7.971 0.639 19817 2055 1 7 . 1 1 93 93 SER N N 93 117.190 117.190 115.880 1.310 19817 2056 1 7 . 1 1 93 93 SER HA H 93 4.470 4.470 4.756 -0.286 19817 2057 1 7 . 1 1 93 93 SER CA C 93 58.100 58.100 57.191 0.909 19817 2058 1 7 . 1 1 93 93 SER CB C 93 65.000 65.000 64.986 0.014 19817 2059 1 7 . 1 1 93 93 SER H H 93 8.760 8.760 8.779 -0.019 19817 2060 1 7 . 1 1 94 94 GLU N N 94 122.350 122.350 121.462 0.888 19817 2061 1 7 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.076 -0.076 19817 2062 1 7 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.000 -0.000 19817 2063 1 7 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.341 -0.241 19817 2064 1 7 . 1 1 94 94 GLU H H 94 8.890 8.890 9.054 -0.164 19817 2065 1 7 . 1 1 95 95 GLU N N 95 119.160 119.160 118.439 0.721 19817 2066 1 7 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.109 -0.019 19817 2067 1 7 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.712 -0.012 19817 2068 1 7 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.247 -0.047 19817 2069 1 7 . 1 1 95 95 GLU H H 95 8.610 8.610 8.801 -0.191 19817 2070 1 7 . 1 1 96 96 GLU N N 96 120.300 120.300 119.958 0.342 19817 2071 1 7 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.159 0.131 19817 2072 1 7 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.287 -0.287 19817 2073 1 7 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.007 1.193 19817 2074 1 7 . 1 1 96 96 GLU H H 96 7.930 7.930 7.768 0.162 19817 2075 1 7 . 1 1 97 97 LEU N N 97 119.340 119.340 120.719 -1.379 19817 2076 1 7 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.143 0.127 19817 2077 1 7 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.858 0.642 19817 2078 1 7 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.743 0.157 19817 2079 1 7 . 1 1 97 97 LEU H H 97 8.520 8.520 7.694 0.826 19817 2080 1 7 . 1 1 98 98 SER N N 98 115.800 115.800 115.157 0.643 19817 2081 1 7 . 1 1 98 98 SER HA H 98 4.280 4.280 4.270 0.010 19817 2082 1 7 . 1 1 98 98 SER CA C 98 62.300 62.300 62.676 -0.376 19817 2083 1 7 . 1 1 98 98 SER CB C 98 62.500 62.500 62.868 -0.368 19817 2084 1 7 . 1 1 98 98 SER H H 98 8.700 8.700 8.719 -0.019 19817 2085 1 7 . 1 1 99 99 ASP N N 99 121.600 121.600 122.406 -0.806 19817 2086 1 7 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.483 0.217 19817 2087 1 7 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.215 1.285 19817 2088 1 7 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.087 0.313 19817 2089 1 7 . 1 1 99 99 ASP H H 99 7.510 7.510 8.160 -0.650 19817 2090 1 7 . 1 1 100 100 LEU N N 100 117.900 117.900 120.828 -2.928 19817 2091 1 7 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.195 -0.045 19817 2092 1 7 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.746 0.554 19817 2093 1 7 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.284 0.316 19817 2094 1 7 . 1 1 100 100 LEU H H 100 8.170 8.170 8.424 -0.254 19817 2095 1 7 . 1 1 101 101 PHE N N 101 120.490 120.490 119.552 0.938 19817 2096 1 7 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.497 1.773 19817 2097 1 7 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.532 0.668 19817 2098 1 7 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.486 0.714 19817 2099 1 7 . 1 1 101 101 PHE H H 101 8.760 8.760 8.310 0.450 19817 2100 1 7 . 1 1 102 102 ARG N N 102 115.520 115.520 117.693 -2.173 19817 2101 1 7 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.966 0.004 19817 2102 1 7 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.303 -0.103 19817 2103 1 7 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.964 0.436 19817 2104 1 7 . 1 1 102 102 ARG H H 102 7.470 7.470 7.746 -0.276 19817 2105 1 7 . 1 1 103 103 MET N N 103 114.150 114.150 116.738 -2.588 19817 2106 1 7 . 1 1 103 103 MET HA H 103 4.370 4.370 4.155 0.215 19817 2107 1 7 . 1 1 103 103 MET CA C 103 55.900 55.900 57.649 -1.749 19817 2108 1 7 . 1 1 103 103 MET CB C 103 34.300 34.300 31.656 2.644 19817 2109 1 7 . 1 1 103 103 MET H H 103 7.590 7.590 7.773 -0.183 19817 2110 1 7 . 1 1 104 104 PHE N N 104 115.060 115.060 118.726 -3.666 19817 2111 1 7 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.336 -0.046 19817 2112 1 7 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.267 -0.866 19817 2113 1 7 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.077 2.623 19817 2114 1 7 . 1 1 104 104 PHE H H 104 7.380 7.380 7.437 -0.057 19817 2115 1 7 . 1 1 105 105 ASP N N 105 116.710 116.710 117.866 -1.156 19817 2116 1 7 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.676 -0.256 19817 2117 1 7 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.525 -2.125 19817 2118 1 7 . 1 1 105 105 ASP CB C 105 39.000 39.000 42.306 -3.307 19817 2119 1 7 . 1 1 105 105 ASP H H 105 7.270 7.270 7.932 -0.662 19817 2120 1 7 . 1 1 106 106 LYS N N 106 124.270 124.270 124.331 -0.061 19817 2121 1 7 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.416 -0.386 19817 2122 1 7 . 1 1 106 106 LYS C C 106 113.428 113.428 177.621 -64.193 19817 2123 1 7 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.209 0.991 19817 2124 1 7 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.023 -0.123 19817 2125 1 7 . 1 1 106 106 LYS H H 106 7.510 7.510 8.708 -1.198 19817 2126 1 7 . 1 1 107 107 ASN N N 107 113.600 113.600 117.300 -3.700 19817 2127 1 7 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.593 0.137 19817 2128 1 7 . 1 1 107 107 ASN CA C 107 51.700 51.700 54.081 -2.381 19817 2129 1 7 . 1 1 107 107 ASN CB C 107 36.900 36.900 39.161 -2.261 19817 2130 1 7 . 1 1 107 107 ASN H H 107 8.000 8.000 8.182 -0.182 19817 2131 1 7 . 1 1 108 108 ALA N N 108 121.600 121.600 120.337 1.263 19817 2132 1 7 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.169 -0.099 19817 2133 1 7 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.198 0.102 19817 2134 1 7 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.325 0.775 19817 2135 1 7 . 1 1 108 108 ALA H H 108 7.810 7.810 8.933 -1.123 19817 2136 1 7 . 1 1 109 109 ASP N N 109 118.480 118.480 118.261 0.219 19817 2137 1 7 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.632 0.068 19817 2138 1 7 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.369 -1.169 19817 2139 1 7 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.430 -0.430 19817 2140 1 7 . 1 1 109 109 ASP H H 109 8.520 8.520 8.067 0.453 19817 2141 1 7 . 1 1 110 110 GLY N N 110 112.250 112.250 107.368 4.882 19817 2142 1 7 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.793 0.207 19817 2143 1 7 . 1 1 110 110 GLY H H 110 10.400 10.400 8.537 1.863 19817 2144 1 7 . 1 1 111 111 TYR N N 111 115.590 115.590 120.553 -4.963 19817 2145 1 7 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.144 0.026 19817 2146 1 7 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.718 -1.618 19817 2147 1 7 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.036 2.064 19817 2148 1 7 . 1 1 111 111 TYR H H 111 8.000 8.000 8.433 -0.433 19817 2149 1 7 . 1 1 112 112 ILE N N 112 125.560 125.560 124.060 1.500 19817 2150 1 7 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.421 0.339 19817 2151 1 7 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.408 -0.808 19817 2152 1 7 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.640 0.360 19817 2153 1 7 . 1 1 112 112 ILE H H 112 9.830 9.830 9.471 0.359 19817 2154 1 7 . 1 1 113 113 ASP N N 113 128.350 128.350 126.192 2.158 19817 2155 1 7 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.085 -0.125 19817 2156 1 7 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.584 -0.584 19817 2157 1 7 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.541 -2.341 19817 2158 1 7 . 1 1 113 113 ASP H H 113 9.030 9.030 9.209 -0.179 19817 2159 1 7 . 1 1 114 114 LEU N N 114 118.300 118.300 120.730 -2.430 19817 2160 1 7 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.095 -0.115 19817 2161 1 7 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.731 0.069 19817 2162 1 7 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.891 0.709 19817 2163 1 7 . 1 1 114 114 LEU H H 114 8.530 8.530 8.760 -0.230 19817 2164 1 7 . 1 1 115 115 ASP N N 115 118.300 118.300 118.797 -0.497 19817 2165 1 7 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.271 0.099 19817 2166 1 7 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.852 0.148 19817 2167 1 7 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.556 0.084 19817 2168 1 7 . 1 1 115 115 ASP H H 115 7.920 7.920 8.815 -0.895 19817 2169 1 7 . 1 1 116 116 GLU N N 116 121.400 121.400 120.123 1.277 19817 2170 1 7 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.057 0.573 19817 2171 1 7 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.101 -0.601 19817 2172 1 7 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.448 -0.048 19817 2173 1 7 . 1 1 116 116 GLU H H 116 8.670 8.670 8.397 0.273 19817 2174 1 7 . 1 1 117 117 LEU N N 117 121.200 121.200 119.440 1.760 19817 2175 1 7 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.039 -0.049 19817 2176 1 7 . 1 1 117 117 LEU CA C 117 58.460 58.460 56.924 1.536 19817 2177 1 7 . 1 1 117 117 LEU CB C 117 42.050 42.050 40.871 1.179 19817 2178 1 7 . 1 1 117 117 LEU H H 117 8.670 8.670 8.272 0.398 19817 2179 1 7 . 1 1 118 118 LYS N N 118 118.800 118.800 119.785 -0.985 19817 2180 1 7 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.903 -0.083 19817 2181 1 7 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.856 1.444 19817 2182 1 7 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.915 0.585 19817 2183 1 7 . 1 1 118 118 LYS H H 118 8.610 8.610 7.741 0.869 19817 2184 1 7 . 1 1 119 119 ILE N N 119 119.400 119.400 119.549 -0.149 19817 2185 1 7 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.963 -0.153 19817 2186 1 7 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.451 0.649 19817 2187 1 7 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.977 0.223 19817 2188 1 7 . 1 1 119 119 ILE H H 119 8.180 8.180 7.422 0.758 19817 2189 1 7 . 1 1 120 120 MET N N 120 119.340 119.340 119.583 -0.243 19817 2190 1 7 . 1 1 120 120 MET HA H 120 3.360 3.360 3.978 -0.618 19817 2191 1 7 . 1 1 120 120 MET CA C 120 57.100 57.100 58.934 -1.834 19817 2192 1 7 . 1 1 120 120 MET CB C 120 31.600 31.600 32.566 -0.966 19817 2193 1 7 . 1 1 120 120 MET H H 120 7.500 7.500 7.162 0.338 19817 2194 1 7 . 1 1 121 121 LEU N N 121 117.920 117.920 120.939 -3.019 19817 2195 1 7 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.094 -0.064 19817 2196 1 7 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.569 0.031 19817 2197 1 7 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.803 0.897 19817 2198 1 7 . 1 1 121 121 LEU H H 121 8.520 8.520 8.679 -0.159 19817 2199 1 7 . 1 1 122 122 GLN N N 122 120.780 120.780 117.143 3.637 19817 2200 1 7 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.101 0.009 19817 2201 1 7 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.622 0.178 19817 2202 1 7 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.366 -0.366 19817 2203 1 7 . 1 1 122 122 GLN H H 122 8.810 8.810 8.124 0.686 19817 2204 1 7 . 1 1 123 123 ALA N N 123 121.220 121.220 120.208 1.012 19817 2205 1 7 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.188 0.112 19817 2206 1 7 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.296 -0.696 19817 2207 1 7 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.711 -0.211 19817 2208 1 7 . 1 1 123 123 ALA H H 123 7.580 7.580 7.435 0.145 19817 2209 1 7 . 1 1 124 124 THR N N 124 106.720 106.720 108.997 -2.277 19817 2210 1 7 . 1 1 124 124 THR HA H 124 4.050 4.050 4.268 -0.218 19817 2211 1 7 . 1 1 124 124 THR CA C 124 64.200 64.200 62.803 1.397 19817 2212 1 7 . 1 1 124 124 THR CB C 124 71.300 71.300 69.764 1.536 19817 2213 1 7 . 1 1 124 124 THR H H 124 7.490 7.490 7.783 -0.293 19817 2214 1 7 . 1 1 125 125 GLY N N 125 108.350 108.350 109.985 -1.635 19817 2215 1 7 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.462 1.139 19817 2216 1 7 . 1 1 125 125 GLY H H 125 7.680 7.680 8.019 -0.339 19817 2217 1 7 . 1 1 126 126 GLU N N 126 120.100 120.100 121.566 -1.466 19817 2218 1 7 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.050 0.230 19817 2219 1 7 . 1 1 126 126 GLU CA C 126 55.200 55.200 58.123 -2.923 19817 2220 1 7 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.550 1.450 19817 2221 1 7 . 1 1 126 126 GLU H H 126 7.500 7.500 8.717 -1.217 19817 2222 1 7 . 1 1 127 127 THR N N 127 119.830 119.830 116.028 3.802 19817 2223 1 7 . 1 1 127 127 THR HA H 127 4.170 4.170 4.465 -0.295 19817 2224 1 7 . 1 1 127 127 THR CA C 127 63.700 63.700 61.399 2.301 19817 2225 1 7 . 1 1 127 127 THR CB C 127 68.800 68.800 69.950 -1.150 19817 2226 1 7 . 1 1 127 127 THR H H 127 8.650 8.650 7.718 0.932 19817 2227 1 7 . 1 1 128 128 ILE N N 128 128.630 128.630 126.064 2.566 19817 2228 1 7 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.402 0.238 19817 2229 1 7 . 1 1 128 128 ILE CA C 128 57.700 57.700 60.172 -2.472 19817 2230 1 7 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.385 -1.185 19817 2231 1 7 . 1 1 128 128 ILE H H 128 8.370 8.370 8.506 -0.136 19817 2232 1 7 . 1 1 129 129 THR N N 129 119.830 119.830 118.043 1.787 19817 2233 1 7 . 1 1 129 129 THR HA H 129 4.750 4.750 4.342 0.408 19817 2234 1 7 . 1 1 129 129 THR CA C 129 59.700 59.700 61.522 -1.822 19817 2235 1 7 . 1 1 129 129 THR CB C 129 72.300 72.300 69.265 3.035 19817 2236 1 7 . 1 1 129 129 THR H H 129 9.680 9.680 8.291 1.389 19817 2237 1 7 . 1 1 130 130 GLU N N 130 119.760 119.760 119.931 -0.171 19817 2238 1 7 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.651 0.379 19817 2239 1 7 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.230 -0.430 19817 2240 1 7 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.739 0.361 19817 2241 1 7 . 1 1 130 130 GLU H H 130 8.920 8.920 8.493 0.427 19817 2242 1 7 . 1 1 131 131 ASP N N 131 117.750 117.750 120.205 -2.455 19817 2243 1 7 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.288 0.092 19817 2244 1 7 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.717 -0.417 19817 2245 1 7 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.333 0.467 19817 2246 1 7 . 1 1 131 131 ASP H H 131 7.830 7.830 8.520 -0.690 19817 2247 1 7 . 1 1 132 132 ASP N N 132 119.880 119.880 119.947 -0.067 19817 2248 1 7 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.384 -0.164 19817 2249 1 7 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.298 0.902 19817 2250 1 7 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.929 1.171 19817 2251 1 7 . 1 1 132 132 ASP H H 132 7.570 7.570 7.688 -0.118 19817 2252 1 7 . 1 1 133 133 ILE N N 133 116.580 116.580 120.456 -3.876 19817 2253 1 7 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.693 -0.353 19817 2254 1 7 . 1 1 133 133 ILE CA C 133 65.500 65.500 64.556 0.944 19817 2255 1 7 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.891 0.809 19817 2256 1 7 . 1 1 133 133 ILE H H 133 7.180 7.180 7.780 -0.600 19817 2257 1 7 . 1 1 134 134 GLU N N 134 117.740 117.740 120.589 -2.849 19817 2258 1 7 . 1 1 134 134 GLU HA H 134 3.890 3.890 4.056 -0.166 19817 2259 1 7 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.762 -0.162 19817 2260 1 7 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.346 0.753 19817 2261 1 7 . 1 1 134 134 GLU H H 134 8.150 8.150 8.137 0.013 19817 2262 1 7 . 1 1 135 135 GLU N N 135 116.300 116.300 119.718 -3.418 19817 2263 1 7 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.112 0.108 19817 2264 1 7 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.328 0.572 19817 2265 1 7 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.168 0.132 19817 2266 1 7 . 1 1 135 135 GLU H H 135 8.430 8.430 8.573 -0.143 19817 2267 1 7 . 1 1 136 136 LEU N N 136 120.700 120.700 121.143 -0.443 19817 2268 1 7 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.185 0.075 19817 2269 1 7 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.752 -0.352 19817 2270 1 7 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.114 -0.414 19817 2271 1 7 . 1 1 136 136 LEU H H 136 8.100 8.100 7.661 0.439 19817 2272 1 7 . 1 1 137 137 MET N N 137 117.930 117.930 118.402 -0.472 19817 2273 1 7 . 1 1 137 137 MET HA H 137 4.290 4.290 4.231 0.059 19817 2274 1 7 . 1 1 137 137 MET CA C 137 57.700 57.700 59.711 -2.011 19817 2275 1 7 . 1 1 137 137 MET CB C 137 30.600 30.600 32.340 -1.740 19817 2276 1 7 . 1 1 137 137 MET H H 137 8.180 8.180 8.543 -0.363 19817 2277 1 7 . 1 1 138 138 LYS N N 138 117.370 117.370 118.985 -1.615 19817 2278 1 7 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.157 -0.087 19817 2279 1 7 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.207 -0.207 19817 2280 1 7 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.944 0.656 19817 2281 1 7 . 1 1 138 138 LYS H H 138 8.060 8.060 7.942 0.118 19817 2282 1 7 . 1 1 139 139 ASP N N 139 117.330 117.330 118.427 -1.097 19817 2283 1 7 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.254 0.126 19817 2284 1 7 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.853 -0.153 19817 2285 1 7 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.336 2.864 19817 2286 1 7 . 1 1 139 139 ASP H H 139 7.650 7.650 7.726 -0.076 19817 2287 1 7 . 1 1 140 140 GLY N N 140 101.850 101.850 106.430 -4.580 19817 2288 1 7 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.546 0.654 19817 2289 1 7 . 1 1 140 140 GLY H H 140 7.850 7.850 7.399 0.451 19817 2290 1 7 . 1 1 141 141 ASP N N 141 120.420 120.420 124.162 -3.742 19817 2291 1 7 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.008 -0.438 19817 2292 1 7 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.308 -0.108 19817 2293 1 7 . 1 1 141 141 ASP CB C 141 39.500 39.500 38.727 0.773 19817 2294 1 7 . 1 1 141 141 ASP H H 141 8.500 8.500 8.704 -0.204 19817 2295 1 7 . 1 1 142 142 LYS N N 142 125.890 125.890 121.019 4.871 19817 2296 1 7 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.223 -0.073 19817 2297 1 7 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.160 -0.260 19817 2298 1 7 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.576 0.424 19817 2299 1 7 . 1 1 142 142 LYS H H 142 7.740 7.740 7.928 -0.188 19817 2300 1 7 . 1 1 143 143 ASN N N 143 113.610 113.610 118.453 -4.843 19817 2301 1 7 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.757 0.043 19817 2302 1 7 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.282 -1.582 19817 2303 1 7 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.688 -2.488 19817 2304 1 7 . 1 1 143 143 ASN H H 143 8.120 8.120 8.442 -0.322 19817 2305 1 7 . 1 1 144 144 ASN N N 144 115.900 115.900 116.509 -0.609 19817 2306 1 7 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.850 -0.350 19817 2307 1 7 . 1 1 144 144 ASN CA C 144 55.100 55.100 53.041 2.058 19817 2308 1 7 . 1 1 144 144 ASN CB C 144 37.800 37.800 39.436 -1.636 19817 2309 1 7 . 1 1 144 144 ASN H H 144 7.720 7.720 8.394 -0.674 19817 2310 1 7 . 1 1 145 145 ASP N N 145 118.570 118.570 120.063 -1.493 19817 2311 1 7 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.558 0.152 19817 2312 1 7 . 1 1 145 145 ASP CA C 145 53.000 53.000 54.399 -1.399 19817 2313 1 7 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.527 0.473 19817 2314 1 7 . 1 1 145 145 ASP H H 145 8.680 8.680 8.256 0.424 19817 2315 1 7 . 1 1 146 146 GLY N N 146 112.940 112.940 109.259 3.681 19817 2316 1 7 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.851 -0.151 19817 2317 1 7 . 1 1 146 146 GLY H H 146 10.320 10.320 8.620 1.700 19817 2318 1 7 . 1 1 147 147 ARG N N 147 115.440 115.440 120.839 -5.399 19817 2319 1 7 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.619 0.291 19817 2320 1 7 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.877 -0.876 19817 2321 1 7 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.540 0.860 19817 2322 1 7 . 1 1 147 147 ARG H H 147 7.690 7.690 7.704 -0.014 19817 2323 1 7 . 1 1 148 148 ILE N N 148 126.090 126.090 123.347 2.743 19817 2324 1 7 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.960 0.090 19817 2325 1 7 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.803 -0.203 19817 2326 1 7 . 1 1 148 148 ILE CB C 148 40.000 40.000 38.924 1.076 19817 2327 1 7 . 1 1 148 148 ILE H H 148 9.430 9.430 8.437 0.993 19817 2328 1 7 . 1 1 149 149 ASP N N 149 129.170 129.170 129.331 -0.161 19817 2329 1 7 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.073 0.087 19817 2330 1 7 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.796 -0.296 19817 2331 1 7 . 1 1 149 149 ASP CB C 149 41.900 41.900 42.929 -1.029 19817 2332 1 7 . 1 1 149 149 ASP H H 149 9.390 9.390 9.257 0.133 19817 2333 1 7 . 1 1 150 150 TYR N N 150 118.600 118.600 119.584 -0.984 19817 2334 1 7 . 1 1 150 150 TYR HA H 150 3.380 3.380 4.040 -0.660 19817 2335 1 7 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.833 -0.633 19817 2336 1 7 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.536 -0.336 19817 2337 1 7 . 1 1 150 150 TYR H H 150 8.420 8.420 8.314 0.106 19817 2338 1 7 . 1 1 151 151 ASP N N 151 118.060 118.060 117.921 0.139 19817 2339 1 7 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.364 -0.284 19817 2340 1 7 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.760 0.140 19817 2341 1 7 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.875 -0.275 19817 2342 1 7 . 1 1 151 151 ASP H H 151 7.740 7.740 8.538 -0.798 19817 2343 1 7 . 1 1 152 152 GLU N N 152 120.480 120.480 119.608 0.872 19817 2344 1 7 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.019 0.011 19817 2345 1 7 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.946 -0.245 19817 2346 1 7 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.776 -0.076 19817 2347 1 7 . 1 1 152 152 GLU H H 152 8.880 8.880 8.431 0.449 19817 2348 1 7 . 1 1 153 153 PHE N N 153 124.990 124.990 121.105 3.885 19817 2349 1 7 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.457 -0.457 19817 2350 1 7 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.151 0.649 19817 2351 1 7 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.358 0.442 19817 2352 1 7 . 1 1 153 153 PHE H H 153 9.280 9.280 8.389 0.891 19817 2353 1 7 . 1 1 154 154 LEU N N 154 117.780 117.780 117.839 -0.059 19817 2354 1 7 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.658 -0.008 19817 2355 1 7 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.796 0.404 19817 2356 1 7 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.038 0.362 19817 2357 1 7 . 1 1 154 154 LEU H H 154 7.880 7.880 8.086 -0.206 19817 2358 1 7 . 1 1 155 155 GLU N N 155 116.556 116.556 119.630 -3.074 19817 2359 1 7 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.893 0.157 19817 2360 1 7 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.103 -0.203 19817 2361 1 7 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.630 0.870 19817 2362 1 7 . 1 1 155 155 GLU H H 155 6.910 6.910 7.633 -0.723 19817 2363 1 7 . 1 1 156 156 PHE N N 156 121.800 121.800 116.716 5.084 19817 2364 1 7 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.252 -0.132 19817 2365 1 7 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.133 -2.534 19817 2366 1 7 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.682 2.218 19817 2367 1 7 . 1 1 156 156 PHE H H 156 8.610 8.610 7.454 1.157 19817 2368 1 7 . 1 1 157 157 MET N N 157 111.800 111.800 114.608 -2.808 19817 2369 1 7 . 1 1 157 157 MET HA H 157 4.360 4.360 4.453 -0.093 19817 2370 1 7 . 1 1 157 157 MET CA C 157 53.300 53.300 56.060 -2.760 19817 2371 1 7 . 1 1 157 157 MET CB C 157 32.500 32.500 32.734 -0.234 19817 2372 1 7 . 1 1 157 157 MET H H 157 7.490 7.490 7.397 0.093 19817 2373 1 7 . 1 1 158 158 LYS N N 158 121.970 121.970 121.251 0.719 19817 2374 1 7 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.001 -0.051 19817 2375 1 7 . 1 1 158 158 LYS CA C 158 59.300 59.300 59.332 -0.032 19817 2376 1 7 . 1 1 158 158 LYS CB C 158 32.400 32.400 31.923 0.477 19817 2377 1 7 . 1 1 158 158 LYS H H 158 7.110 7.110 8.121 -1.011 19817 2378 1 7 . 1 1 159 159 ASP N N 159 116.800 116.800 115.857 0.943 19817 2379 1 7 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.641 -0.201 19817 2380 1 7 . 1 1 159 159 ASP CA C 159 54.900 54.900 52.774 2.126 19817 2381 1 7 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.612 -0.212 19817 2382 1 7 . 1 1 159 159 ASP H H 159 8.470 8.470 8.204 0.266 19817 2383 1 7 . 1 1 160 160 VAL N N 160 119.800 119.800 120.337 -0.537 19817 2384 1 7 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.353 -0.563 19817 2385 1 7 . 1 1 160 160 VAL CA C 160 63.300 63.300 60.264 3.036 19817 2386 1 7 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.216 -2.116 19817 2387 1 7 . 1 1 160 160 VAL H H 160 7.270 7.270 7.268 0.002 19817 2388 1 8 . 1 1 91 91 GLY N N 91 123.830 123.830 110.903 12.927 19817 2389 1 8 . 1 1 91 91 GLY CA C 91 45.000 45.000 46.874 -1.874 19817 2390 1 8 . 1 1 91 91 GLY H H 91 6.020 6.020 8.709 -2.689 19817 2391 1 8 . 1 1 92 92 LYS N N 92 121.100 121.100 123.879 -2.779 19817 2392 1 8 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.864 -0.434 19817 2393 1 8 . 1 1 92 92 LYS CA C 92 56.000 56.000 54.425 1.575 19817 2394 1 8 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.734 0.066 19817 2395 1 8 . 1 1 92 92 LYS H H 92 8.610 8.610 8.054 0.556 19817 2396 1 8 . 1 1 93 93 SER N N 93 117.190 117.190 118.004 -0.814 19817 2397 1 8 . 1 1 93 93 SER HA H 93 4.470 4.470 4.540 -0.070 19817 2398 1 8 . 1 1 93 93 SER CA C 93 58.100 58.100 58.462 -0.362 19817 2399 1 8 . 1 1 93 93 SER CB C 93 65.000 65.000 62.014 2.986 19817 2400 1 8 . 1 1 93 93 SER H H 93 8.760 8.760 8.405 0.355 19817 2401 1 8 . 1 1 94 94 GLU N N 94 122.350 122.350 123.889 -1.539 19817 2402 1 8 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.199 -0.199 19817 2403 1 8 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.307 0.693 19817 2404 1 8 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.643 -0.543 19817 2405 1 8 . 1 1 94 94 GLU H H 94 8.890 8.890 8.189 0.701 19817 2406 1 8 . 1 1 95 95 GLU N N 95 119.160 119.160 119.499 -0.339 19817 2407 1 8 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.071 0.019 19817 2408 1 8 . 1 1 95 95 GLU CA C 95 59.700 59.700 60.024 -0.324 19817 2409 1 8 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.823 0.377 19817 2410 1 8 . 1 1 95 95 GLU H H 95 8.610 8.610 8.912 -0.302 19817 2411 1 8 . 1 1 96 96 GLU N N 96 120.300 120.300 120.211 0.089 19817 2412 1 8 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.141 0.149 19817 2413 1 8 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.253 -0.253 19817 2414 1 8 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.575 0.626 19817 2415 1 8 . 1 1 96 96 GLU H H 96 7.930 7.930 7.802 0.128 19817 2416 1 8 . 1 1 97 97 LEU N N 97 119.340 119.340 120.589 -1.249 19817 2417 1 8 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.364 -0.094 19817 2418 1 8 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.469 0.031 19817 2419 1 8 . 1 1 97 97 LEU CB C 97 41.900 41.900 42.011 -0.111 19817 2420 1 8 . 1 1 97 97 LEU H H 97 8.520 8.520 7.668 0.852 19817 2421 1 8 . 1 1 98 98 SER N N 98 115.800 115.800 115.910 -0.110 19817 2422 1 8 . 1 1 98 98 SER HA H 98 4.280 4.280 4.382 -0.102 19817 2423 1 8 . 1 1 98 98 SER CA C 98 62.300 62.300 62.853 -0.553 19817 2424 1 8 . 1 1 98 98 SER CB C 98 62.500 62.500 62.720 -0.220 19817 2425 1 8 . 1 1 98 98 SER H H 98 8.700 8.700 9.058 -0.358 19817 2426 1 8 . 1 1 99 99 ASP N N 99 121.600 121.600 123.563 -1.963 19817 2427 1 8 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.521 0.179 19817 2428 1 8 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.589 0.911 19817 2429 1 8 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.032 0.368 19817 2430 1 8 . 1 1 99 99 ASP H H 99 7.510 7.510 8.301 -0.791 19817 2431 1 8 . 1 1 100 100 LEU N N 100 117.900 117.900 120.327 -2.427 19817 2432 1 8 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.148 0.002 19817 2433 1 8 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.874 0.425 19817 2434 1 8 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.340 -0.740 19817 2435 1 8 . 1 1 100 100 LEU H H 100 8.170 8.170 8.055 0.115 19817 2436 1 8 . 1 1 101 101 PHE N N 101 120.490 120.490 120.118 0.372 19817 2437 1 8 . 1 1 101 101 PHE HA H 101 4.270 4.270 3.269 1.001 19817 2438 1 8 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.301 0.899 19817 2439 1 8 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.675 0.525 19817 2440 1 8 . 1 1 101 101 PHE H H 101 8.760 8.760 8.743 0.017 19817 2441 1 8 . 1 1 102 102 ARG N N 102 115.520 115.520 117.948 -2.428 19817 2442 1 8 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.889 0.081 19817 2443 1 8 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.283 -0.083 19817 2444 1 8 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.946 0.454 19817 2445 1 8 . 1 1 102 102 ARG H H 102 7.470 7.470 8.002 -0.532 19817 2446 1 8 . 1 1 103 103 MET N N 103 114.150 114.150 115.594 -1.444 19817 2447 1 8 . 1 1 103 103 MET HA H 103 4.370 4.370 4.192 0.178 19817 2448 1 8 . 1 1 103 103 MET CA C 103 55.900 55.900 56.681 -0.781 19817 2449 1 8 . 1 1 103 103 MET CB C 103 34.300 34.300 31.910 2.390 19817 2450 1 8 . 1 1 103 103 MET H H 103 7.590 7.590 7.400 0.190 19817 2451 1 8 . 1 1 104 104 PHE N N 104 115.060 115.060 118.617 -3.557 19817 2452 1 8 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.457 -0.167 19817 2453 1 8 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.374 -0.974 19817 2454 1 8 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.182 2.518 19817 2455 1 8 . 1 1 104 104 PHE H H 104 7.380 7.380 7.426 -0.046 19817 2456 1 8 . 1 1 105 105 ASP N N 105 116.710 116.710 117.233 -0.523 19817 2457 1 8 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.774 -0.354 19817 2458 1 8 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.532 -2.132 19817 2459 1 8 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.684 -2.684 19817 2460 1 8 . 1 1 105 105 ASP H H 105 7.270 7.270 7.635 -0.365 19817 2461 1 8 . 1 1 106 106 LYS N N 106 124.270 124.270 125.846 -1.576 19817 2462 1 8 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.268 -0.238 19817 2463 1 8 . 1 1 106 106 LYS C C 106 113.428 113.428 177.732 -64.304 19817 2464 1 8 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.277 0.923 19817 2465 1 8 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.038 -0.137 19817 2466 1 8 . 1 1 106 106 LYS H H 106 7.510 7.510 8.913 -1.403 19817 2467 1 8 . 1 1 107 107 ASN N N 107 113.600 113.600 116.783 -3.183 19817 2468 1 8 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.731 -0.001 19817 2469 1 8 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.997 -1.297 19817 2470 1 8 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.592 -1.692 19817 2471 1 8 . 1 1 107 107 ASN H H 107 8.000 8.000 7.976 0.024 19817 2472 1 8 . 1 1 108 108 ALA N N 108 121.600 121.600 122.095 -0.495 19817 2473 1 8 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.028 0.042 19817 2474 1 8 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.340 -0.040 19817 2475 1 8 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.869 0.231 19817 2476 1 8 . 1 1 108 108 ALA H H 108 7.810 7.810 8.021 -0.211 19817 2477 1 8 . 1 1 109 109 ASP N N 109 118.480 118.480 116.613 1.867 19817 2478 1 8 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.485 0.215 19817 2479 1 8 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.791 -1.591 19817 2480 1 8 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.233 -0.233 19817 2481 1 8 . 1 1 109 109 ASP H H 109 8.520 8.520 8.267 0.253 19817 2482 1 8 . 1 1 110 110 GLY N N 110 112.250 112.250 106.768 5.482 19817 2483 1 8 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.009 -0.009 19817 2484 1 8 . 1 1 110 110 GLY H H 110 10.400 10.400 8.021 2.379 19817 2485 1 8 . 1 1 111 111 TYR N N 111 115.590 115.590 118.587 -2.997 19817 2486 1 8 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.439 -0.269 19817 2487 1 8 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.628 -0.528 19817 2488 1 8 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.420 1.680 19817 2489 1 8 . 1 1 111 111 TYR H H 111 8.000 8.000 8.319 -0.319 19817 2490 1 8 . 1 1 112 112 ILE N N 112 125.560 125.560 122.023 3.537 19817 2491 1 8 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.194 0.566 19817 2492 1 8 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.987 -0.387 19817 2493 1 8 . 1 1 112 112 ILE CB C 112 39.000 39.000 39.092 -0.092 19817 2494 1 8 . 1 1 112 112 ILE H H 112 9.830 9.830 9.309 0.521 19817 2495 1 8 . 1 1 113 113 ASP N N 113 128.350 128.350 126.176 2.174 19817 2496 1 8 . 1 1 113 113 ASP HA H 113 4.960 4.960 4.993 -0.033 19817 2497 1 8 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.255 -0.255 19817 2498 1 8 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.979 -1.779 19817 2499 1 8 . 1 1 113 113 ASP H H 113 9.030 9.030 8.533 0.497 19817 2500 1 8 . 1 1 114 114 LEU N N 114 118.300 118.300 121.791 -3.491 19817 2501 1 8 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.094 -0.114 19817 2502 1 8 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.196 0.604 19817 2503 1 8 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.878 0.722 19817 2504 1 8 . 1 1 114 114 LEU H H 114 8.530 8.530 8.610 -0.080 19817 2505 1 8 . 1 1 115 115 ASP N N 115 118.300 118.300 119.172 -0.872 19817 2506 1 8 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.344 0.026 19817 2507 1 8 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.084 -0.083 19817 2508 1 8 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.855 -0.215 19817 2509 1 8 . 1 1 115 115 ASP H H 115 7.920 7.920 8.934 -1.014 19817 2510 1 8 . 1 1 116 116 GLU N N 116 121.400 121.400 119.957 1.443 19817 2511 1 8 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.034 0.596 19817 2512 1 8 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.087 -0.587 19817 2513 1 8 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.674 -0.274 19817 2514 1 8 . 1 1 116 116 GLU H H 116 8.670 8.670 7.880 0.790 19817 2515 1 8 . 1 1 117 117 LEU N N 117 121.200 121.200 121.322 -0.122 19817 2516 1 8 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.180 -0.190 19817 2517 1 8 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.668 0.792 19817 2518 1 8 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.456 -0.406 19817 2519 1 8 . 1 1 117 117 LEU H H 117 8.670 8.670 8.306 0.364 19817 2520 1 8 . 1 1 118 118 LYS N N 118 118.800 118.800 119.789 -0.989 19817 2521 1 8 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.990 -0.170 19817 2522 1 8 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.525 1.775 19817 2523 1 8 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.774 0.726 19817 2524 1 8 . 1 1 118 118 LYS H H 118 8.610 8.610 8.406 0.204 19817 2525 1 8 . 1 1 119 119 ILE N N 119 119.400 119.400 119.620 -0.220 19817 2526 1 8 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.747 0.063 19817 2527 1 8 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.762 0.338 19817 2528 1 8 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.567 0.633 19817 2529 1 8 . 1 1 119 119 ILE H H 119 8.180 8.180 7.605 0.575 19817 2530 1 8 . 1 1 120 120 MET N N 120 119.340 119.340 117.910 1.430 19817 2531 1 8 . 1 1 120 120 MET HA H 120 3.360 3.360 3.877 -0.517 19817 2532 1 8 . 1 1 120 120 MET CA C 120 57.100 57.100 59.125 -2.025 19817 2533 1 8 . 1 1 120 120 MET CB C 120 31.600 31.600 32.272 -0.672 19817 2534 1 8 . 1 1 120 120 MET H H 120 7.500 7.500 7.407 0.093 19817 2535 1 8 . 1 1 121 121 LEU N N 121 117.920 117.920 119.267 -1.347 19817 2536 1 8 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.132 -0.102 19817 2537 1 8 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.686 -0.086 19817 2538 1 8 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.844 0.856 19817 2539 1 8 . 1 1 121 121 LEU H H 121 8.520 8.520 7.591 0.929 19817 2540 1 8 . 1 1 122 122 GLN N N 122 120.780 120.780 119.849 0.931 19817 2541 1 8 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.290 -0.180 19817 2542 1 8 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.564 0.236 19817 2543 1 8 . 1 1 122 122 GLN CB C 122 28.000 28.000 27.938 0.062 19817 2544 1 8 . 1 1 122 122 GLN H H 122 8.810 8.810 8.912 -0.102 19817 2545 1 8 . 1 1 123 123 ALA N N 123 121.220 121.220 122.050 -0.830 19817 2546 1 8 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.134 0.166 19817 2547 1 8 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.502 -0.902 19817 2548 1 8 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.173 0.327 19817 2549 1 8 . 1 1 123 123 ALA H H 123 7.580 7.580 7.927 -0.347 19817 2550 1 8 . 1 1 124 124 THR N N 124 106.720 106.720 108.597 -1.877 19817 2551 1 8 . 1 1 124 124 THR HA H 124 4.050 4.050 4.123 -0.073 19817 2552 1 8 . 1 1 124 124 THR CA C 124 64.200 64.200 63.194 1.006 19817 2553 1 8 . 1 1 124 124 THR CB C 124 71.300 71.300 69.666 1.634 19817 2554 1 8 . 1 1 124 124 THR H H 124 7.490 7.490 7.557 -0.067 19817 2555 1 8 . 1 1 125 125 GLY N N 125 108.350 108.350 109.970 -1.620 19817 2556 1 8 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.960 0.640 19817 2557 1 8 . 1 1 125 125 GLY H H 125 7.680 7.680 7.620 0.060 19817 2558 1 8 . 1 1 126 126 GLU N N 126 120.100 120.100 122.639 -2.539 19817 2559 1 8 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.348 -0.068 19817 2560 1 8 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.381 -1.181 19817 2561 1 8 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.939 1.061 19817 2562 1 8 . 1 1 126 126 GLU H H 126 7.500 7.500 8.202 -0.702 19817 2563 1 8 . 1 1 127 127 THR N N 127 119.830 119.830 119.268 0.562 19817 2564 1 8 . 1 1 127 127 THR HA H 127 4.170 4.170 4.533 -0.363 19817 2565 1 8 . 1 1 127 127 THR CA C 127 63.700 63.700 62.199 1.501 19817 2566 1 8 . 1 1 127 127 THR CB C 127 68.800 68.800 68.516 0.284 19817 2567 1 8 . 1 1 127 127 THR H H 127 8.650 8.650 8.450 0.200 19817 2568 1 8 . 1 1 128 128 ILE N N 128 128.630 128.630 123.890 4.740 19817 2569 1 8 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.636 0.004 19817 2570 1 8 . 1 1 128 128 ILE CA C 128 57.700 57.700 60.458 -2.758 19817 2571 1 8 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.109 -1.909 19817 2572 1 8 . 1 1 128 128 ILE H H 128 8.370 8.370 8.135 0.235 19817 2573 1 8 . 1 1 129 129 THR N N 129 119.830 119.830 114.671 5.159 19817 2574 1 8 . 1 1 129 129 THR HA H 129 4.750 4.750 4.327 0.423 19817 2575 1 8 . 1 1 129 129 THR CA C 129 59.700 59.700 63.573 -3.873 19817 2576 1 8 . 1 1 129 129 THR CB C 129 72.300 72.300 70.435 1.865 19817 2577 1 8 . 1 1 129 129 THR H H 129 9.680 9.680 8.572 1.108 19817 2578 1 8 . 1 1 130 130 GLU N N 130 119.760 119.760 115.220 4.540 19817 2579 1 8 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.384 -0.354 19817 2580 1 8 . 1 1 130 130 GLU CA C 130 59.800 59.800 57.351 2.449 19817 2581 1 8 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.778 -0.678 19817 2582 1 8 . 1 1 130 130 GLU H H 130 8.920 8.920 8.058 0.862 19817 2583 1 8 . 1 1 131 131 ASP N N 131 117.750 117.750 121.614 -3.864 19817 2584 1 8 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.253 0.127 19817 2585 1 8 . 1 1 131 131 ASP CA C 131 57.300 57.300 58.027 -0.727 19817 2586 1 8 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.970 0.830 19817 2587 1 8 . 1 1 131 131 ASP H H 131 7.830 7.830 8.064 -0.234 19817 2588 1 8 . 1 1 132 132 ASP N N 132 119.880 119.880 119.991 -0.111 19817 2589 1 8 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.432 -0.212 19817 2590 1 8 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.980 1.220 19817 2591 1 8 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.908 1.192 19817 2592 1 8 . 1 1 132 132 ASP H H 132 7.570 7.570 8.539 -0.969 19817 2593 1 8 . 1 1 133 133 ILE N N 133 116.580 116.580 120.092 -3.512 19817 2594 1 8 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.706 -0.366 19817 2595 1 8 . 1 1 133 133 ILE CA C 133 65.500 65.500 64.798 0.702 19817 2596 1 8 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.769 0.931 19817 2597 1 8 . 1 1 133 133 ILE H H 133 7.180 7.180 7.913 -0.733 19817 2598 1 8 . 1 1 134 134 GLU N N 134 117.740 117.740 119.555 -1.815 19817 2599 1 8 . 1 1 134 134 GLU HA H 134 3.890 3.890 4.027 -0.137 19817 2600 1 8 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.011 -0.411 19817 2601 1 8 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.142 0.959 19817 2602 1 8 . 1 1 134 134 GLU H H 134 8.150 8.150 8.896 -0.746 19817 2603 1 8 . 1 1 135 135 GLU N N 135 116.300 116.300 119.883 -3.583 19817 2604 1 8 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.131 0.089 19817 2605 1 8 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.506 0.394 19817 2606 1 8 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.244 0.056 19817 2607 1 8 . 1 1 135 135 GLU H H 135 8.430 8.430 7.816 0.614 19817 2608 1 8 . 1 1 136 136 LEU N N 136 120.700 120.700 121.264 -0.564 19817 2609 1 8 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.098 0.163 19817 2610 1 8 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.730 -0.330 19817 2611 1 8 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.154 -0.454 19817 2612 1 8 . 1 1 136 136 LEU H H 136 8.100 8.100 7.307 0.793 19817 2613 1 8 . 1 1 137 137 MET N N 137 117.930 117.930 117.757 0.173 19817 2614 1 8 . 1 1 137 137 MET HA H 137 4.290 4.290 4.141 0.149 19817 2615 1 8 . 1 1 137 137 MET CA C 137 57.700 57.700 59.596 -1.895 19817 2616 1 8 . 1 1 137 137 MET CB C 137 30.600 30.600 32.451 -1.851 19817 2617 1 8 . 1 1 137 137 MET H H 137 8.180 8.180 8.787 -0.607 19817 2618 1 8 . 1 1 138 138 LYS N N 138 117.370 117.370 118.721 -1.351 19817 2619 1 8 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.992 0.078 19817 2620 1 8 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.640 -0.640 19817 2621 1 8 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.973 0.627 19817 2622 1 8 . 1 1 138 138 LYS H H 138 8.060 8.060 7.972 0.088 19817 2623 1 8 . 1 1 139 139 ASP N N 139 117.330 117.330 118.917 -1.587 19817 2624 1 8 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.382 -0.002 19817 2625 1 8 . 1 1 139 139 ASP CA C 139 56.700 56.700 57.097 -0.397 19817 2626 1 8 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.580 2.620 19817 2627 1 8 . 1 1 139 139 ASP H H 139 7.650 7.650 7.692 -0.042 19817 2628 1 8 . 1 1 140 140 GLY N N 140 101.850 101.850 107.089 -5.239 19817 2629 1 8 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.983 0.217 19817 2630 1 8 . 1 1 140 140 GLY H H 140 7.850 7.850 7.572 0.278 19817 2631 1 8 . 1 1 141 141 ASP N N 141 120.420 120.420 122.737 -2.317 19817 2632 1 8 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.152 -0.582 19817 2633 1 8 . 1 1 141 141 ASP CA C 141 53.200 53.200 52.734 0.466 19817 2634 1 8 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.946 -0.446 19817 2635 1 8 . 1 1 141 141 ASP H H 141 8.500 8.500 8.624 -0.124 19817 2636 1 8 . 1 1 142 142 LYS N N 142 125.890 125.890 121.889 4.001 19817 2637 1 8 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.188 -0.038 19817 2638 1 8 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.297 -0.397 19817 2639 1 8 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.192 0.808 19817 2640 1 8 . 1 1 142 142 LYS H H 142 7.740 7.740 7.720 0.020 19817 2641 1 8 . 1 1 143 143 ASN N N 143 113.610 113.610 115.945 -2.335 19817 2642 1 8 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.839 -0.039 19817 2643 1 8 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.300 -0.600 19817 2644 1 8 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.676 -1.476 19817 2645 1 8 . 1 1 143 143 ASN H H 143 8.120 8.120 7.949 0.171 19817 2646 1 8 . 1 1 144 144 ASN N N 144 115.900 115.900 116.799 -0.899 19817 2647 1 8 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.400 0.100 19817 2648 1 8 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.245 0.855 19817 2649 1 8 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.835 -0.035 19817 2650 1 8 . 1 1 144 144 ASN H H 144 7.720 7.720 7.912 -0.192 19817 2651 1 8 . 1 1 145 145 ASP N N 145 118.570 118.570 116.722 1.848 19817 2652 1 8 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.472 0.238 19817 2653 1 8 . 1 1 145 145 ASP CA C 145 53.000 53.000 54.756 -1.756 19817 2654 1 8 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.190 -0.190 19817 2655 1 8 . 1 1 145 145 ASP H H 145 8.680 8.680 8.180 0.501 19817 2656 1 8 . 1 1 146 146 GLY N N 146 112.940 112.940 107.467 5.473 19817 2657 1 8 . 1 1 146 146 GLY CA C 146 45.700 45.700 44.828 0.872 19817 2658 1 8 . 1 1 146 146 GLY H H 146 10.320 10.320 8.683 1.637 19817 2659 1 8 . 1 1 147 147 ARG N N 147 115.440 115.440 120.206 -4.766 19817 2660 1 8 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.744 0.166 19817 2661 1 8 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.027 -0.027 19817 2662 1 8 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.231 1.169 19817 2663 1 8 . 1 1 147 147 ARG H H 147 7.690 7.690 8.468 -0.778 19817 2664 1 8 . 1 1 148 148 ILE N N 148 126.090 126.090 122.762 3.328 19817 2665 1 8 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.705 0.345 19817 2666 1 8 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.551 0.049 19817 2667 1 8 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.725 0.275 19817 2668 1 8 . 1 1 148 148 ILE H H 148 9.430 9.430 8.341 1.089 19817 2669 1 8 . 1 1 149 149 ASP N N 149 129.170 129.170 128.204 0.966 19817 2670 1 8 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.254 -0.094 19817 2671 1 8 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.380 0.120 19817 2672 1 8 . 1 1 149 149 ASP CB C 149 41.900 41.900 44.185 -2.285 19817 2673 1 8 . 1 1 149 149 ASP H H 149 9.390 9.390 8.860 0.530 19817 2674 1 8 . 1 1 150 150 TYR N N 150 118.600 118.600 120.807 -2.207 19817 2675 1 8 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.115 0.265 19817 2676 1 8 . 1 1 150 150 TYR CA C 150 62.200 62.200 61.913 0.287 19817 2677 1 8 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.306 -0.106 19817 2678 1 8 . 1 1 150 150 TYR H H 150 8.420 8.420 8.859 -0.439 19817 2679 1 8 . 1 1 151 151 ASP N N 151 118.060 118.060 118.578 -0.518 19817 2680 1 8 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.154 -0.074 19817 2681 1 8 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.642 -0.742 19817 2682 1 8 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.361 0.239 19817 2683 1 8 . 1 1 151 151 ASP H H 151 7.740 7.740 8.375 -0.635 19817 2684 1 8 . 1 1 152 152 GLU N N 152 120.480 120.480 119.012 1.468 19817 2685 1 8 . 1 1 152 152 GLU HA H 152 4.030 4.030 3.960 0.070 19817 2686 1 8 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.647 0.053 19817 2687 1 8 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.470 0.230 19817 2688 1 8 . 1 1 152 152 GLU H H 152 8.880 8.880 8.250 0.630 19817 2689 1 8 . 1 1 153 153 PHE N N 153 124.990 124.990 121.552 3.438 19817 2690 1 8 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.208 -0.208 19817 2691 1 8 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.090 0.709 19817 2692 1 8 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.150 0.650 19817 2693 1 8 . 1 1 153 153 PHE H H 153 9.280 9.280 8.411 0.869 19817 2694 1 8 . 1 1 154 154 LEU N N 154 117.780 117.780 117.888 -0.108 19817 2695 1 8 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.642 0.008 19817 2696 1 8 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.557 0.643 19817 2697 1 8 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.777 0.623 19817 2698 1 8 . 1 1 154 154 LEU H H 154 7.880 7.880 8.014 -0.134 19817 2699 1 8 . 1 1 155 155 GLU N N 155 116.556 116.556 119.135 -2.579 19817 2700 1 8 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.898 0.152 19817 2701 1 8 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.938 -0.038 19817 2702 1 8 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.708 0.792 19817 2703 1 8 . 1 1 155 155 GLU H H 155 6.910 6.910 7.462 -0.552 19817 2704 1 8 . 1 1 156 156 PHE N N 156 121.800 121.800 117.654 4.146 19817 2705 1 8 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.458 -0.338 19817 2706 1 8 . 1 1 156 156 PHE CA C 156 58.600 58.600 60.404 -1.804 19817 2707 1 8 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.425 2.474 19817 2708 1 8 . 1 1 156 156 PHE H H 156 8.610 8.610 7.129 1.481 19817 2709 1 8 . 1 1 157 157 MET N N 157 111.800 111.800 115.160 -3.360 19817 2710 1 8 . 1 1 157 157 MET HA H 157 4.360 4.360 4.507 -0.147 19817 2711 1 8 . 1 1 157 157 MET CA C 157 53.300 53.300 54.935 -1.635 19817 2712 1 8 . 1 1 157 157 MET CB C 157 32.500 32.500 31.911 0.589 19817 2713 1 8 . 1 1 157 157 MET H H 157 7.490 7.490 7.540 -0.050 19817 2714 1 8 . 1 1 158 158 LYS N N 158 121.970 121.970 120.498 1.472 19817 2715 1 8 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.025 -0.075 19817 2716 1 8 . 1 1 158 158 LYS CA C 158 59.300 59.300 59.187 0.113 19817 2717 1 8 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.100 0.300 19817 2718 1 8 . 1 1 158 158 LYS H H 158 7.110 7.110 7.449 -0.339 19817 2719 1 8 . 1 1 159 159 ASP N N 159 116.800 116.800 121.298 -4.498 19817 2720 1 8 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.633 -0.193 19817 2721 1 8 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.640 0.260 19817 2722 1 8 . 1 1 159 159 ASP CB C 159 40.400 40.400 39.489 0.911 19817 2723 1 8 . 1 1 159 159 ASP H H 159 8.470 8.470 8.381 0.089 19817 2724 1 8 . 1 1 160 160 VAL N N 160 119.800 119.800 119.882 -0.082 19817 2725 1 8 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.401 -0.611 19817 2726 1 8 . 1 1 160 160 VAL CA C 160 63.300 63.300 59.429 3.871 19817 2727 1 8 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.917 -2.817 19817 2728 1 8 . 1 1 160 160 VAL H H 160 7.270 7.270 7.670 -0.400 19817 2729 1 9 . 1 1 91 91 GLY N N 91 123.830 123.830 116.046 7.784 19817 2730 1 9 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.894 -0.894 19817 2731 1 9 . 1 1 91 91 GLY H H 91 6.020 6.020 9.090 -3.070 19817 2732 1 9 . 1 1 92 92 LYS N N 92 121.100 121.100 123.427 -2.327 19817 2733 1 9 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.465 -0.035 19817 2734 1 9 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.013 -0.013 19817 2735 1 9 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.373 0.427 19817 2736 1 9 . 1 1 92 92 LYS H H 92 8.610 8.610 8.042 0.568 19817 2737 1 9 . 1 1 93 93 SER N N 93 117.190 117.190 116.407 0.783 19817 2738 1 9 . 1 1 93 93 SER HA H 93 4.470 4.470 4.788 -0.318 19817 2739 1 9 . 1 1 93 93 SER CA C 93 58.100 58.100 57.259 0.841 19817 2740 1 9 . 1 1 93 93 SER CB C 93 65.000 65.000 65.938 -0.938 19817 2741 1 9 . 1 1 93 93 SER H H 93 8.760 8.760 9.147 -0.387 19817 2742 1 9 . 1 1 94 94 GLU N N 94 122.350 122.350 123.788 -1.438 19817 2743 1 9 . 1 1 94 94 GLU HA H 94 4.000 4.000 3.967 0.033 19817 2744 1 9 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.466 -0.466 19817 2745 1 9 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.312 -0.212 19817 2746 1 9 . 1 1 94 94 GLU H H 94 8.890 8.890 9.153 -0.263 19817 2747 1 9 . 1 1 95 95 GLU N N 95 119.160 119.160 118.810 0.350 19817 2748 1 9 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.053 0.037 19817 2749 1 9 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.446 0.254 19817 2750 1 9 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.879 0.321 19817 2751 1 9 . 1 1 95 95 GLU H H 95 8.610 8.610 9.068 -0.458 19817 2752 1 9 . 1 1 96 96 GLU N N 96 120.300 120.300 119.968 0.332 19817 2753 1 9 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.099 0.191 19817 2754 1 9 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.041 -0.042 19817 2755 1 9 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.651 0.549 19817 2756 1 9 . 1 1 96 96 GLU H H 96 7.930 7.930 7.659 0.271 19817 2757 1 9 . 1 1 97 97 LEU N N 97 119.340 119.340 119.606 -0.266 19817 2758 1 9 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.060 0.210 19817 2759 1 9 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.812 0.688 19817 2760 1 9 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.490 0.410 19817 2761 1 9 . 1 1 97 97 LEU H H 97 8.520 8.520 7.416 1.104 19817 2762 1 9 . 1 1 98 98 SER N N 98 115.800 115.800 115.203 0.597 19817 2763 1 9 . 1 1 98 98 SER HA H 98 4.280 4.280 4.173 0.107 19817 2764 1 9 . 1 1 98 98 SER CA C 98 62.300 62.300 62.540 -0.240 19817 2765 1 9 . 1 1 98 98 SER CB C 98 62.500 62.500 63.131 -0.631 19817 2766 1 9 . 1 1 98 98 SER H H 98 8.700 8.700 9.041 -0.341 19817 2767 1 9 . 1 1 99 99 ASP N N 99 121.600 121.600 122.159 -0.559 19817 2768 1 9 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.465 0.235 19817 2769 1 9 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.572 0.928 19817 2770 1 9 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.043 0.357 19817 2771 1 9 . 1 1 99 99 ASP H H 99 7.510 7.510 8.194 -0.684 19817 2772 1 9 . 1 1 100 100 LEU N N 100 117.900 117.900 119.284 -1.384 19817 2773 1 9 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.250 -0.100 19817 2774 1 9 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.408 0.892 19817 2775 1 9 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.177 0.423 19817 2776 1 9 . 1 1 100 100 LEU H H 100 8.170 8.170 7.619 0.551 19817 2777 1 9 . 1 1 101 101 PHE N N 101 120.490 120.490 121.067 -0.577 19817 2778 1 9 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.965 1.305 19817 2779 1 9 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.562 0.638 19817 2780 1 9 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.743 0.457 19817 2781 1 9 . 1 1 101 101 PHE H H 101 8.760 8.760 8.772 -0.012 19817 2782 1 9 . 1 1 102 102 ARG N N 102 115.520 115.520 117.369 -1.849 19817 2783 1 9 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.917 0.053 19817 2784 1 9 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.348 -0.148 19817 2785 1 9 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.055 0.345 19817 2786 1 9 . 1 1 102 102 ARG H H 102 7.470 7.470 8.360 -0.890 19817 2787 1 9 . 1 1 103 103 MET N N 103 114.150 114.150 115.648 -1.498 19817 2788 1 9 . 1 1 103 103 MET HA H 103 4.370 4.370 4.089 0.281 19817 2789 1 9 . 1 1 103 103 MET CA C 103 55.900 55.900 58.124 -2.224 19817 2790 1 9 . 1 1 103 103 MET CB C 103 34.300 34.300 32.639 1.661 19817 2791 1 9 . 1 1 103 103 MET H H 103 7.590 7.590 7.333 0.257 19817 2792 1 9 . 1 1 104 104 PHE N N 104 115.060 115.060 117.381 -2.321 19817 2793 1 9 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.158 0.132 19817 2794 1 9 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.912 -0.512 19817 2795 1 9 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.226 2.474 19817 2796 1 9 . 1 1 104 104 PHE H H 104 7.380 7.380 7.331 0.049 19817 2797 1 9 . 1 1 105 105 ASP N N 105 116.710 116.710 118.625 -1.915 19817 2798 1 9 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.738 -0.318 19817 2799 1 9 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.711 -0.311 19817 2800 1 9 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.299 -0.299 19817 2801 1 9 . 1 1 105 105 ASP H H 105 7.270 7.270 8.033 -0.763 19817 2802 1 9 . 1 1 106 106 LYS N N 106 124.270 124.270 126.995 -2.725 19817 2803 1 9 . 1 1 106 106 LYS HA H 106 4.030 4.030 3.976 0.054 19817 2804 1 9 . 1 1 106 106 LYS C C 106 113.428 113.428 177.711 -64.283 19817 2805 1 9 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.965 -0.765 19817 2806 1 9 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.501 0.399 19817 2807 1 9 . 1 1 106 106 LYS H H 106 7.510 7.510 8.128 -0.618 19817 2808 1 9 . 1 1 107 107 ASN N N 107 113.600 113.600 115.341 -1.741 19817 2809 1 9 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.688 0.042 19817 2810 1 9 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.539 -0.839 19817 2811 1 9 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.687 -1.787 19817 2812 1 9 . 1 1 107 107 ASN H H 107 8.000 8.000 7.963 0.037 19817 2813 1 9 . 1 1 108 108 ALA N N 108 121.600 121.600 119.382 2.218 19817 2814 1 9 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.121 -0.051 19817 2815 1 9 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.237 0.063 19817 2816 1 9 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.531 0.569 19817 2817 1 9 . 1 1 108 108 ALA H H 108 7.810 7.810 7.523 0.287 19817 2818 1 9 . 1 1 109 109 ASP N N 109 118.480 118.480 118.364 0.116 19817 2819 1 9 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.659 0.041 19817 2820 1 9 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.534 -0.334 19817 2821 1 9 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.077 -0.077 19817 2822 1 9 . 1 1 109 109 ASP H H 109 8.520 8.520 7.990 0.530 19817 2823 1 9 . 1 1 110 110 GLY N N 110 112.250 112.250 106.283 5.967 19817 2824 1 9 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.775 -0.775 19817 2825 1 9 . 1 1 110 110 GLY H H 110 10.400 10.400 9.061 1.339 19817 2826 1 9 . 1 1 111 111 TYR N N 111 115.590 115.590 118.015 -2.425 19817 2827 1 9 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.330 -0.160 19817 2828 1 9 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.933 -0.833 19817 2829 1 9 . 1 1 111 111 TYR CB C 111 43.100 43.100 42.442 0.658 19817 2830 1 9 . 1 1 111 111 TYR H H 111 8.000 8.000 8.358 -0.358 19817 2831 1 9 . 1 1 112 112 ILE N N 112 125.560 125.560 121.255 4.305 19817 2832 1 9 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.353 0.407 19817 2833 1 9 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.642 -0.042 19817 2834 1 9 . 1 1 112 112 ILE CB C 112 39.000 39.000 39.310 -0.310 19817 2835 1 9 . 1 1 112 112 ILE H H 112 9.830 9.830 9.322 0.508 19817 2836 1 9 . 1 1 113 113 ASP N N 113 128.350 128.350 127.154 1.196 19817 2837 1 9 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.106 -0.146 19817 2838 1 9 . 1 1 113 113 ASP CA C 113 52.000 52.000 51.794 0.206 19817 2839 1 9 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.127 -1.927 19817 2840 1 9 . 1 1 113 113 ASP H H 113 9.030 9.030 8.246 0.784 19817 2841 1 9 . 1 1 114 114 LEU N N 114 118.300 118.300 123.667 -5.367 19817 2842 1 9 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.002 -0.022 19817 2843 1 9 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.724 0.076 19817 2844 1 9 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.007 0.593 19817 2845 1 9 . 1 1 114 114 LEU H H 114 8.530 8.530 8.709 -0.179 19817 2846 1 9 . 1 1 115 115 ASP N N 115 118.300 118.300 117.662 0.638 19817 2847 1 9 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.313 0.057 19817 2848 1 9 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.990 0.010 19817 2849 1 9 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.355 0.285 19817 2850 1 9 . 1 1 115 115 ASP H H 115 7.920 7.920 8.806 -0.886 19817 2851 1 9 . 1 1 116 116 GLU N N 116 121.400 121.400 120.067 1.333 19817 2852 1 9 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.073 0.557 19817 2853 1 9 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.115 -0.616 19817 2854 1 9 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.672 -0.272 19817 2855 1 9 . 1 1 116 116 GLU H H 116 8.670 8.670 7.483 1.187 19817 2856 1 9 . 1 1 117 117 LEU N N 117 121.200 121.200 119.529 1.671 19817 2857 1 9 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.019 -0.029 19817 2858 1 9 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.687 0.773 19817 2859 1 9 . 1 1 117 117 LEU CB C 117 42.050 42.050 41.924 0.126 19817 2860 1 9 . 1 1 117 117 LEU H H 117 8.670 8.670 8.636 0.034 19817 2861 1 9 . 1 1 118 118 LYS N N 118 118.800 118.800 119.862 -1.062 19817 2862 1 9 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.986 -0.166 19817 2863 1 9 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.640 1.660 19817 2864 1 9 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.872 0.628 19817 2865 1 9 . 1 1 118 118 LYS H H 118 8.610 8.610 8.561 0.049 19817 2866 1 9 . 1 1 119 119 ILE N N 119 119.400 119.400 120.043 -0.643 19817 2867 1 9 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.746 0.064 19817 2868 1 9 . 1 1 119 119 ILE CA C 119 65.100 65.100 63.436 1.664 19817 2869 1 9 . 1 1 119 119 ILE CB C 119 38.200 38.200 36.853 1.347 19817 2870 1 9 . 1 1 119 119 ILE H H 119 8.180 8.180 7.403 0.777 19817 2871 1 9 . 1 1 120 120 MET N N 120 119.340 119.340 118.582 0.758 19817 2872 1 9 . 1 1 120 120 MET HA H 120 3.360 3.360 4.022 -0.662 19817 2873 1 9 . 1 1 120 120 MET CA C 120 57.100 57.100 58.992 -1.893 19817 2874 1 9 . 1 1 120 120 MET CB C 120 31.600 31.600 31.884 -0.283 19817 2875 1 9 . 1 1 120 120 MET H H 120 7.500 7.500 7.391 0.110 19817 2876 1 9 . 1 1 121 121 LEU N N 121 117.920 117.920 120.215 -2.295 19817 2877 1 9 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.017 0.013 19817 2878 1 9 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.438 0.162 19817 2879 1 9 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.612 1.088 19817 2880 1 9 . 1 1 121 121 LEU H H 121 8.520 8.520 8.160 0.360 19817 2881 1 9 . 1 1 122 122 GLN N N 122 120.780 120.780 116.970 3.810 19817 2882 1 9 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.930 0.180 19817 2883 1 9 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.505 0.295 19817 2884 1 9 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.561 -0.561 19817 2885 1 9 . 1 1 122 122 GLN H H 122 8.810 8.810 7.957 0.853 19817 2886 1 9 . 1 1 123 123 ALA N N 123 121.220 121.220 120.700 0.520 19817 2887 1 9 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.248 0.052 19817 2888 1 9 . 1 1 123 123 ALA CA C 123 53.600 53.600 53.910 -0.310 19817 2889 1 9 . 1 1 123 123 ALA CB C 123 18.500 18.500 19.496 -0.996 19817 2890 1 9 . 1 1 123 123 ALA H H 123 7.580 7.580 7.636 -0.056 19817 2891 1 9 . 1 1 124 124 THR N N 124 106.720 106.720 112.099 -5.379 19817 2892 1 9 . 1 1 124 124 THR HA H 124 4.050 4.050 4.470 -0.420 19817 2893 1 9 . 1 1 124 124 THR CA C 124 64.200 64.200 61.781 2.419 19817 2894 1 9 . 1 1 124 124 THR CB C 124 71.300 71.300 68.162 3.138 19817 2895 1 9 . 1 1 124 124 THR H H 124 7.490 7.490 7.728 -0.238 19817 2896 1 9 . 1 1 125 125 GLY N N 125 108.350 108.350 112.221 -3.871 19817 2897 1 9 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.485 0.115 19817 2898 1 9 . 1 1 125 125 GLY H H 125 7.680 7.680 7.908 -0.228 19817 2899 1 9 . 1 1 126 126 GLU N N 126 120.100 120.100 119.791 0.309 19817 2900 1 9 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.368 -0.088 19817 2901 1 9 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.719 -1.519 19817 2902 1 9 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.348 0.652 19817 2903 1 9 . 1 1 126 126 GLU H H 126 7.500 7.500 8.555 -1.055 19817 2904 1 9 . 1 1 127 127 THR N N 127 119.830 119.830 115.329 4.501 19817 2905 1 9 . 1 1 127 127 THR HA H 127 4.170 4.170 4.494 -0.324 19817 2906 1 9 . 1 1 127 127 THR CA C 127 63.700 63.700 61.844 1.856 19817 2907 1 9 . 1 1 127 127 THR CB C 127 68.800 68.800 69.877 -1.077 19817 2908 1 9 . 1 1 127 127 THR H H 127 8.650 8.650 8.124 0.526 19817 2909 1 9 . 1 1 128 128 ILE N N 128 128.630 128.630 126.508 2.122 19817 2910 1 9 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.420 0.220 19817 2911 1 9 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.866 -2.166 19817 2912 1 9 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.367 -1.167 19817 2913 1 9 . 1 1 128 128 ILE H H 128 8.370 8.370 8.486 -0.116 19817 2914 1 9 . 1 1 129 129 THR N N 129 119.830 119.830 118.453 1.377 19817 2915 1 9 . 1 1 129 129 THR HA H 129 4.750 4.750 4.634 0.116 19817 2916 1 9 . 1 1 129 129 THR CA C 129 59.700 59.700 59.529 0.171 19817 2917 1 9 . 1 1 129 129 THR CB C 129 72.300 72.300 70.953 1.347 19817 2918 1 9 . 1 1 129 129 THR H H 129 9.680 9.680 7.925 1.755 19817 2919 1 9 . 1 1 130 130 GLU N N 130 119.760 119.760 121.395 -1.635 19817 2920 1 9 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.977 0.053 19817 2921 1 9 . 1 1 130 130 GLU CA C 130 59.800 59.800 61.008 -1.208 19817 2922 1 9 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.477 -0.377 19817 2923 1 9 . 1 1 130 130 GLU H H 130 8.920 8.920 8.944 -0.024 19817 2924 1 9 . 1 1 131 131 ASP N N 131 117.750 117.750 118.370 -0.620 19817 2925 1 9 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.370 0.010 19817 2926 1 9 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.646 -0.346 19817 2927 1 9 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.514 0.286 19817 2928 1 9 . 1 1 131 131 ASP H H 131 7.830 7.830 8.501 -0.671 19817 2929 1 9 . 1 1 132 132 ASP N N 132 119.880 119.880 119.971 -0.091 19817 2930 1 9 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.418 -0.198 19817 2931 1 9 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.345 0.855 19817 2932 1 9 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.017 1.083 19817 2933 1 9 . 1 1 132 132 ASP H H 132 7.570 7.570 7.801 -0.231 19817 2934 1 9 . 1 1 133 133 ILE N N 133 116.580 116.580 120.141 -3.561 19817 2935 1 9 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.666 -0.326 19817 2936 1 9 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.299 0.201 19817 2937 1 9 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.896 0.804 19817 2938 1 9 . 1 1 133 133 ILE H H 133 7.180 7.180 8.098 -0.918 19817 2939 1 9 . 1 1 134 134 GLU N N 134 117.740 117.740 120.249 -2.509 19817 2940 1 9 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.992 -0.102 19817 2941 1 9 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.394 -0.794 19817 2942 1 9 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.414 0.686 19817 2943 1 9 . 1 1 134 134 GLU H H 134 8.150 8.150 8.799 -0.649 19817 2944 1 9 . 1 1 135 135 GLU N N 135 116.300 116.300 119.118 -2.818 19817 2945 1 9 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.110 0.110 19817 2946 1 9 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.585 0.315 19817 2947 1 9 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.071 0.229 19817 2948 1 9 . 1 1 135 135 GLU H H 135 8.430 8.430 8.509 -0.079 19817 2949 1 9 . 1 1 136 136 LEU N N 136 120.700 120.700 122.079 -1.379 19817 2950 1 9 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.142 0.118 19817 2951 1 9 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.117 -0.717 19817 2952 1 9 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.942 -0.242 19817 2953 1 9 . 1 1 136 136 LEU H H 136 8.100 8.100 7.538 0.562 19817 2954 1 9 . 1 1 137 137 MET N N 137 117.930 117.930 117.688 0.242 19817 2955 1 9 . 1 1 137 137 MET HA H 137 4.290 4.290 4.280 0.010 19817 2956 1 9 . 1 1 137 137 MET CA C 137 57.700 57.700 57.588 0.112 19817 2957 1 9 . 1 1 137 137 MET CB C 137 30.600 30.600 31.502 -0.902 19817 2958 1 9 . 1 1 137 137 MET H H 137 8.180 8.180 8.185 -0.005 19817 2959 1 9 . 1 1 138 138 LYS N N 138 117.370 117.370 118.902 -1.532 19817 2960 1 9 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.078 -0.008 19817 2961 1 9 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.182 -0.182 19817 2962 1 9 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.169 0.431 19817 2963 1 9 . 1 1 138 138 LYS H H 138 8.060 8.060 8.665 -0.605 19817 2964 1 9 . 1 1 139 139 ASP N N 139 117.330 117.330 117.593 -0.263 19817 2965 1 9 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.477 -0.097 19817 2966 1 9 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.248 0.452 19817 2967 1 9 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.993 2.207 19817 2968 1 9 . 1 1 139 139 ASP H H 139 7.650 7.650 8.074 -0.424 19817 2969 1 9 . 1 1 140 140 GLY N N 140 101.850 101.850 104.335 -2.485 19817 2970 1 9 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.814 2.386 19817 2971 1 9 . 1 1 140 140 GLY H H 140 7.850 7.850 7.378 0.472 19817 2972 1 9 . 1 1 141 141 ASP N N 141 120.420 120.420 123.021 -2.601 19817 2973 1 9 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.734 -0.164 19817 2974 1 9 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.046 -0.846 19817 2975 1 9 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.509 -1.009 19817 2976 1 9 . 1 1 141 141 ASP H H 141 8.500 8.500 8.564 -0.064 19817 2977 1 9 . 1 1 142 142 LYS N N 142 125.890 125.890 127.134 -1.244 19817 2978 1 9 . 1 1 142 142 LYS HA H 142 4.150 4.150 3.944 0.206 19817 2979 1 9 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.953 -1.053 19817 2980 1 9 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.498 0.502 19817 2981 1 9 . 1 1 142 142 LYS H H 142 7.740 7.740 8.235 -0.495 19817 2982 1 9 . 1 1 143 143 ASN N N 143 113.610 113.610 114.504 -0.894 19817 2983 1 9 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.794 0.006 19817 2984 1 9 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.130 -1.430 19817 2985 1 9 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.513 -1.312 19817 2986 1 9 . 1 1 143 143 ASN H H 143 8.120 8.120 8.391 -0.271 19817 2987 1 9 . 1 1 144 144 ASN N N 144 115.900 115.900 117.445 -1.545 19817 2988 1 9 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.520 -0.020 19817 2989 1 9 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.304 0.796 19817 2990 1 9 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.757 0.043 19817 2991 1 9 . 1 1 144 144 ASN H H 144 7.720 7.720 8.223 -0.503 19817 2992 1 9 . 1 1 145 145 ASP N N 145 118.570 118.570 115.773 2.797 19817 2993 1 9 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.699 0.011 19817 2994 1 9 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.489 -0.489 19817 2995 1 9 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.761 0.238 19817 2996 1 9 . 1 1 145 145 ASP H H 145 8.680 8.680 8.377 0.303 19817 2997 1 9 . 1 1 146 146 GLY N N 146 112.940 112.940 108.033 4.907 19817 2998 1 9 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.026 0.674 19817 2999 1 9 . 1 1 146 146 GLY H H 146 10.320 10.320 8.019 2.301 19817 3000 1 9 . 1 1 147 147 ARG N N 147 115.440 115.440 119.788 -4.348 19817 3001 1 9 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.191 -0.281 19817 3002 1 9 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.527 -0.527 19817 3003 1 9 . 1 1 147 147 ARG CB C 147 34.400 34.400 34.137 0.263 19817 3004 1 9 . 1 1 147 147 ARG H H 147 7.690 7.690 8.306 -0.616 19817 3005 1 9 . 1 1 148 148 ILE N N 148 126.090 126.090 123.002 3.088 19817 3006 1 9 . 1 1 148 148 ILE HA H 148 5.050 5.050 5.105 -0.055 19817 3007 1 9 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.468 0.132 19817 3008 1 9 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.855 0.145 19817 3009 1 9 . 1 1 148 148 ILE H H 148 9.430 9.430 9.182 0.248 19817 3010 1 9 . 1 1 149 149 ASP N N 149 129.170 129.170 129.084 0.086 19817 3011 1 9 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.121 0.039 19817 3012 1 9 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.986 -0.486 19817 3013 1 9 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.019 -1.119 19817 3014 1 9 . 1 1 149 149 ASP H H 149 9.390 9.390 9.019 0.371 19817 3015 1 9 . 1 1 150 150 TYR N N 150 118.600 118.600 119.708 -1.108 19817 3016 1 9 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.988 0.392 19817 3017 1 9 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.467 -0.267 19817 3018 1 9 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.284 -0.084 19817 3019 1 9 . 1 1 150 150 TYR H H 150 8.420 8.420 8.129 0.291 19817 3020 1 9 . 1 1 151 151 ASP N N 151 118.060 118.060 117.825 0.235 19817 3021 1 9 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.288 -0.208 19817 3022 1 9 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.718 0.182 19817 3023 1 9 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.855 -0.255 19817 3024 1 9 . 1 1 151 151 ASP H H 151 7.740 7.740 8.487 -0.747 19817 3025 1 9 . 1 1 152 152 GLU N N 152 120.480 120.480 120.127 0.353 19817 3026 1 9 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.053 -0.023 19817 3027 1 9 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.144 -0.444 19817 3028 1 9 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.955 -0.255 19817 3029 1 9 . 1 1 152 152 GLU H H 152 8.880 8.880 8.674 0.206 19817 3030 1 9 . 1 1 153 153 PHE N N 153 124.990 124.990 121.220 3.770 19817 3031 1 9 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.407 -0.407 19817 3032 1 9 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.541 0.259 19817 3033 1 9 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.431 0.369 19817 3034 1 9 . 1 1 153 153 PHE H H 153 9.280 9.280 8.544 0.736 19817 3035 1 9 . 1 1 154 154 LEU N N 154 117.780 117.780 118.064 -0.284 19817 3036 1 9 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.692 -0.042 19817 3037 1 9 . 1 1 154 154 LEU CA C 154 58.200 58.200 58.279 -0.078 19817 3038 1 9 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.938 0.462 19817 3039 1 9 . 1 1 154 154 LEU H H 154 7.880 7.880 8.461 -0.581 19817 3040 1 9 . 1 1 155 155 GLU N N 155 116.556 116.556 118.800 -2.244 19817 3041 1 9 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.961 0.089 19817 3042 1 9 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.425 -0.525 19817 3043 1 9 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.800 0.700 19817 3044 1 9 . 1 1 155 155 GLU H H 155 6.910 6.910 7.794 -0.884 19817 3045 1 9 . 1 1 156 156 PHE N N 156 121.800 121.800 118.647 3.153 19817 3046 1 9 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.083 0.037 19817 3047 1 9 . 1 1 156 156 PHE CA C 156 58.600 58.600 60.786 -2.187 19817 3048 1 9 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.542 2.358 19817 3049 1 9 . 1 1 156 156 PHE H H 156 8.610 8.610 7.509 1.101 19817 3050 1 9 . 1 1 157 157 MET N N 157 111.800 111.800 114.817 -3.017 19817 3051 1 9 . 1 1 157 157 MET HA H 157 4.360 4.360 4.211 0.149 19817 3052 1 9 . 1 1 157 157 MET CA C 157 53.300 53.300 55.947 -2.647 19817 3053 1 9 . 1 1 157 157 MET CB C 157 32.500 32.500 32.614 -0.114 19817 3054 1 9 . 1 1 157 157 MET H H 157 7.490 7.490 7.637 -0.147 19817 3055 1 9 . 1 1 158 158 LYS N N 158 121.970 121.970 116.826 5.144 19817 3056 1 9 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.119 -0.169 19817 3057 1 9 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.214 1.086 19817 3058 1 9 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.815 -0.415 19817 3059 1 9 . 1 1 158 158 LYS H H 158 7.110 7.110 8.214 -1.104 19817 3060 1 9 . 1 1 159 159 ASP N N 159 116.800 116.800 120.809 -4.009 19817 3061 1 9 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.852 -0.412 19817 3062 1 9 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.469 0.431 19817 3063 1 9 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.367 0.033 19817 3064 1 9 . 1 1 159 159 ASP H H 159 8.470 8.470 7.595 0.875 19817 3065 1 9 . 1 1 160 160 VAL N N 160 119.800 119.800 124.714 -4.914 19817 3066 1 9 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.330 -0.540 19817 3067 1 9 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.599 1.701 19817 3068 1 9 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.204 -2.104 19817 3069 1 9 . 1 1 160 160 VAL H H 160 7.270 7.270 7.996 -0.726 19817 3070 1 10 . 1 1 91 91 GLY N N 91 123.830 123.830 110.530 13.300 19817 3071 1 10 . 1 1 91 91 GLY CA C 91 45.000 45.000 46.198 -1.198 19817 3072 1 10 . 1 1 91 91 GLY H H 91 6.020 6.020 9.355 -3.335 19817 3073 1 10 . 1 1 92 92 LYS N N 92 121.100 121.100 117.958 3.142 19817 3074 1 10 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.513 -0.083 19817 3075 1 10 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.573 -0.573 19817 3076 1 10 . 1 1 92 92 LYS CB C 92 33.800 33.800 35.355 -1.555 19817 3077 1 10 . 1 1 92 92 LYS H H 92 8.610 8.610 8.871 -0.261 19817 3078 1 10 . 1 1 93 93 SER N N 93 117.190 117.190 116.122 1.068 19817 3079 1 10 . 1 1 93 93 SER HA H 93 4.470 4.470 4.746 -0.276 19817 3080 1 10 . 1 1 93 93 SER CA C 93 58.100 58.100 57.522 0.578 19817 3081 1 10 . 1 1 93 93 SER CB C 93 65.000 65.000 65.648 -0.648 19817 3082 1 10 . 1 1 93 93 SER H H 93 8.760 8.760 8.969 -0.209 19817 3083 1 10 . 1 1 94 94 GLU N N 94 122.350 122.350 125.401 -3.051 19817 3084 1 10 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.130 -0.130 19817 3085 1 10 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.453 0.547 19817 3086 1 10 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.149 -0.049 19817 3087 1 10 . 1 1 94 94 GLU H H 94 8.890 8.890 9.148 -0.258 19817 3088 1 10 . 1 1 95 95 GLU N N 95 119.160 119.160 119.828 -0.668 19817 3089 1 10 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.246 -0.156 19817 3090 1 10 . 1 1 95 95 GLU CA C 95 59.700 59.700 58.962 0.738 19817 3091 1 10 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.113 0.087 19817 3092 1 10 . 1 1 95 95 GLU H H 95 8.610 8.610 8.897 -0.287 19817 3093 1 10 . 1 1 96 96 GLU N N 96 120.300 120.300 120.535 -0.235 19817 3094 1 10 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.103 0.187 19817 3095 1 10 . 1 1 96 96 GLU CA C 96 59.000 59.000 58.868 0.132 19817 3096 1 10 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.375 0.825 19817 3097 1 10 . 1 1 96 96 GLU H H 96 7.930 7.930 7.765 0.165 19817 3098 1 10 . 1 1 97 97 LEU N N 97 119.340 119.340 119.100 0.240 19817 3099 1 10 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.143 0.127 19817 3100 1 10 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.457 1.043 19817 3101 1 10 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.649 0.251 19817 3102 1 10 . 1 1 97 97 LEU H H 97 8.520 8.520 8.161 0.359 19817 3103 1 10 . 1 1 98 98 SER N N 98 115.800 115.800 115.224 0.576 19817 3104 1 10 . 1 1 98 98 SER HA H 98 4.280 4.280 4.449 -0.169 19817 3105 1 10 . 1 1 98 98 SER CA C 98 62.300 62.300 62.296 0.004 19817 3106 1 10 . 1 1 98 98 SER CB C 98 62.500 62.500 62.962 -0.462 19817 3107 1 10 . 1 1 98 98 SER H H 98 8.700 8.700 8.305 0.395 19817 3108 1 10 . 1 1 99 99 ASP N N 99 121.600 121.600 121.819 -0.219 19817 3109 1 10 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.492 0.208 19817 3110 1 10 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.146 1.354 19817 3111 1 10 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.981 0.419 19817 3112 1 10 . 1 1 99 99 ASP H H 99 7.510 7.510 7.798 -0.288 19817 3113 1 10 . 1 1 100 100 LEU N N 100 117.900 117.900 119.650 -1.750 19817 3114 1 10 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.120 0.030 19817 3115 1 10 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.468 0.833 19817 3116 1 10 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.075 -0.475 19817 3117 1 10 . 1 1 100 100 LEU H H 100 8.170 8.170 7.598 0.572 19817 3118 1 10 . 1 1 101 101 PHE N N 101 120.490 120.490 120.386 0.104 19817 3119 1 10 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.991 1.279 19817 3120 1 10 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.342 0.859 19817 3121 1 10 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.798 0.402 19817 3122 1 10 . 1 1 101 101 PHE H H 101 8.760 8.760 7.689 1.071 19817 3123 1 10 . 1 1 102 102 ARG N N 102 115.520 115.520 117.205 -1.685 19817 3124 1 10 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.996 -0.026 19817 3125 1 10 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.042 0.158 19817 3126 1 10 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.939 0.461 19817 3127 1 10 . 1 1 102 102 ARG H H 102 7.470 7.470 7.761 -0.291 19817 3128 1 10 . 1 1 103 103 MET N N 103 114.150 114.150 115.595 -1.445 19817 3129 1 10 . 1 1 103 103 MET HA H 103 4.370 4.370 4.127 0.243 19817 3130 1 10 . 1 1 103 103 MET CA C 103 55.900 55.900 56.941 -1.041 19817 3131 1 10 . 1 1 103 103 MET CB C 103 34.300 34.300 31.980 2.320 19817 3132 1 10 . 1 1 103 103 MET H H 103 7.590 7.590 7.586 0.004 19817 3133 1 10 . 1 1 104 104 PHE N N 104 115.060 115.060 119.089 -4.029 19817 3134 1 10 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.450 -0.160 19817 3135 1 10 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.651 -0.251 19817 3136 1 10 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.174 2.526 19817 3137 1 10 . 1 1 104 104 PHE H H 104 7.380 7.380 7.340 0.040 19817 3138 1 10 . 1 1 105 105 ASP N N 105 116.710 116.710 118.902 -2.192 19817 3139 1 10 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.755 -0.335 19817 3140 1 10 . 1 1 105 105 ASP CA C 105 52.400 52.400 53.186 -0.786 19817 3141 1 10 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.275 -1.275 19817 3142 1 10 . 1 1 105 105 ASP H H 105 7.270 7.270 7.917 -0.647 19817 3143 1 10 . 1 1 106 106 LYS N N 106 124.270 124.270 125.836 -1.566 19817 3144 1 10 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.061 -0.031 19817 3145 1 10 . 1 1 106 106 LYS C C 106 113.428 113.428 177.995 -64.567 19817 3146 1 10 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.648 -0.448 19817 3147 1 10 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.466 0.434 19817 3148 1 10 . 1 1 106 106 LYS H H 106 7.510 7.510 8.262 -0.752 19817 3149 1 10 . 1 1 107 107 ASN N N 107 113.600 113.600 115.218 -1.618 19817 3150 1 10 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.649 0.081 19817 3151 1 10 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.680 -0.980 19817 3152 1 10 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.901 -2.001 19817 3153 1 10 . 1 1 107 107 ASN H H 107 8.000 8.000 7.953 0.047 19817 3154 1 10 . 1 1 108 108 ALA N N 108 121.600 121.600 119.282 2.318 19817 3155 1 10 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.238 -0.168 19817 3156 1 10 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.007 0.293 19817 3157 1 10 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.338 0.762 19817 3158 1 10 . 1 1 108 108 ALA H H 108 7.810 7.810 7.784 0.026 19817 3159 1 10 . 1 1 109 109 ASP N N 109 118.480 118.480 118.900 -0.420 19817 3160 1 10 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.612 0.088 19817 3161 1 10 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.763 -0.563 19817 3162 1 10 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.286 -0.286 19817 3163 1 10 . 1 1 109 109 ASP H H 109 8.520 8.520 8.168 0.352 19817 3164 1 10 . 1 1 110 110 GLY N N 110 112.250 112.250 106.320 5.930 19817 3165 1 10 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.224 -0.224 19817 3166 1 10 . 1 1 110 110 GLY H H 110 10.400 10.400 8.791 1.609 19817 3167 1 10 . 1 1 111 111 TYR N N 111 115.590 115.590 119.600 -4.010 19817 3168 1 10 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.361 -0.191 19817 3169 1 10 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.203 -1.103 19817 3170 1 10 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.851 1.249 19817 3171 1 10 . 1 1 111 111 TYR H H 111 8.000 8.000 8.431 -0.431 19817 3172 1 10 . 1 1 112 112 ILE N N 112 125.560 125.560 123.407 2.153 19817 3173 1 10 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.431 0.329 19817 3174 1 10 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.928 -0.329 19817 3175 1 10 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.861 0.139 19817 3176 1 10 . 1 1 112 112 ILE H H 112 9.830 9.830 9.276 0.554 19817 3177 1 10 . 1 1 113 113 ASP N N 113 128.350 128.350 126.252 2.098 19817 3178 1 10 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.075 -0.115 19817 3179 1 10 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.982 -0.982 19817 3180 1 10 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.481 -2.281 19817 3181 1 10 . 1 1 113 113 ASP H H 113 9.030 9.030 8.965 0.065 19817 3182 1 10 . 1 1 114 114 LEU N N 114 118.300 118.300 120.441 -2.141 19817 3183 1 10 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.149 -0.169 19817 3184 1 10 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.896 -0.096 19817 3185 1 10 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.639 0.961 19817 3186 1 10 . 1 1 114 114 LEU H H 114 8.530 8.530 8.906 -0.376 19817 3187 1 10 . 1 1 115 115 ASP N N 115 118.300 118.300 119.884 -1.584 19817 3188 1 10 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.321 0.049 19817 3189 1 10 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.756 0.244 19817 3190 1 10 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.177 0.463 19817 3191 1 10 . 1 1 115 115 ASP H H 115 7.920 7.920 8.040 -0.120 19817 3192 1 10 . 1 1 116 116 GLU N N 116 121.400 121.400 120.078 1.322 19817 3193 1 10 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.031 0.599 19817 3194 1 10 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.066 -0.566 19817 3195 1 10 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.600 -0.200 19817 3196 1 10 . 1 1 116 116 GLU H H 116 8.670 8.670 8.191 0.479 19817 3197 1 10 . 1 1 117 117 LEU N N 117 121.200 121.200 121.544 -0.344 19817 3198 1 10 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.118 -0.128 19817 3199 1 10 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.772 0.688 19817 3200 1 10 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.149 -0.099 19817 3201 1 10 . 1 1 117 117 LEU H H 117 8.670 8.670 8.520 0.150 19817 3202 1 10 . 1 1 118 118 LYS N N 118 118.800 118.800 119.935 -1.135 19817 3203 1 10 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.910 -0.090 19817 3204 1 10 . 1 1 118 118 LYS CA C 118 61.300 61.300 60.075 1.225 19817 3205 1 10 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.215 0.285 19817 3206 1 10 . 1 1 118 118 LYS H H 118 8.610 8.610 8.159 0.451 19817 3207 1 10 . 1 1 119 119 ILE N N 119 119.400 119.400 119.727 -0.327 19817 3208 1 10 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.604 0.206 19817 3209 1 10 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.947 0.153 19817 3210 1 10 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.747 0.453 19817 3211 1 10 . 1 1 119 119 ILE H H 119 8.180 8.180 7.715 0.465 19817 3212 1 10 . 1 1 120 120 MET N N 120 119.340 119.340 118.141 1.199 19817 3213 1 10 . 1 1 120 120 MET HA H 120 3.360 3.360 4.019 -0.659 19817 3214 1 10 . 1 1 120 120 MET CA C 120 57.100 57.100 59.153 -2.053 19817 3215 1 10 . 1 1 120 120 MET CB C 120 31.600 31.600 32.493 -0.893 19817 3216 1 10 . 1 1 120 120 MET H H 120 7.500 7.500 7.276 0.224 19817 3217 1 10 . 1 1 121 121 LEU N N 121 117.920 117.920 120.671 -2.751 19817 3218 1 10 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.183 -0.153 19817 3219 1 10 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.722 -0.122 19817 3220 1 10 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.996 0.704 19817 3221 1 10 . 1 1 121 121 LEU H H 121 8.520 8.520 8.506 0.014 19817 3222 1 10 . 1 1 122 122 GLN N N 122 120.780 120.780 117.549 3.231 19817 3223 1 10 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.182 -0.072 19817 3224 1 10 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.482 0.318 19817 3225 1 10 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.382 -0.382 19817 3226 1 10 . 1 1 122 122 GLN H H 122 8.810 8.810 8.595 0.215 19817 3227 1 10 . 1 1 123 123 ALA N N 123 121.220 121.220 120.272 0.948 19817 3228 1 10 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.167 0.133 19817 3229 1 10 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.612 -1.012 19817 3230 1 10 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.758 -0.258 19817 3231 1 10 . 1 1 123 123 ALA H H 123 7.580 7.580 7.813 -0.233 19817 3232 1 10 . 1 1 124 124 THR N N 124 106.720 106.720 109.108 -2.388 19817 3233 1 10 . 1 1 124 124 THR HA H 124 4.050 4.050 4.336 -0.286 19817 3234 1 10 . 1 1 124 124 THR CA C 124 64.200 64.200 62.577 1.623 19817 3235 1 10 . 1 1 124 124 THR CB C 124 71.300 71.300 69.459 1.841 19817 3236 1 10 . 1 1 124 124 THR H H 124 7.490 7.490 7.491 -0.001 19817 3237 1 10 . 1 1 125 125 GLY N N 125 108.350 108.350 109.421 -1.071 19817 3238 1 10 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.441 1.159 19817 3239 1 10 . 1 1 125 125 GLY H H 125 7.680 7.680 7.906 -0.226 19817 3240 1 10 . 1 1 126 126 GLU N N 126 120.100 120.100 119.013 1.087 19817 3241 1 10 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.181 0.099 19817 3242 1 10 . 1 1 126 126 GLU CA C 126 55.200 55.200 58.433 -3.233 19817 3243 1 10 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.061 0.940 19817 3244 1 10 . 1 1 126 126 GLU H H 126 7.500 7.500 8.657 -1.157 19817 3245 1 10 . 1 1 127 127 THR N N 127 119.830 119.830 113.244 6.586 19817 3246 1 10 . 1 1 127 127 THR HA H 127 4.170 4.170 4.495 -0.325 19817 3247 1 10 . 1 1 127 127 THR CA C 127 63.700 63.700 61.634 2.066 19817 3248 1 10 . 1 1 127 127 THR CB C 127 68.800 68.800 70.108 -1.308 19817 3249 1 10 . 1 1 127 127 THR H H 127 8.650 8.650 7.870 0.780 19817 3250 1 10 . 1 1 128 128 ILE N N 128 128.630 128.630 124.580 4.050 19817 3251 1 10 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.356 0.284 19817 3252 1 10 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.614 -1.914 19817 3253 1 10 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.946 -1.746 19817 3254 1 10 . 1 1 128 128 ILE H H 128 8.370 8.370 8.260 0.110 19817 3255 1 10 . 1 1 129 129 THR N N 129 119.830 119.830 120.502 -0.672 19817 3256 1 10 . 1 1 129 129 THR HA H 129 4.750 4.750 4.479 0.271 19817 3257 1 10 . 1 1 129 129 THR CA C 129 59.700 59.700 61.034 -1.334 19817 3258 1 10 . 1 1 129 129 THR CB C 129 72.300 72.300 70.397 1.903 19817 3259 1 10 . 1 1 129 129 THR H H 129 9.680 9.680 8.368 1.312 19817 3260 1 10 . 1 1 130 130 GLU N N 130 119.760 119.760 122.705 -2.945 19817 3261 1 10 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.939 0.091 19817 3262 1 10 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.293 -0.493 19817 3263 1 10 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.134 -0.034 19817 3264 1 10 . 1 1 130 130 GLU H H 130 8.920 8.920 8.936 -0.016 19817 3265 1 10 . 1 1 131 131 ASP N N 131 117.750 117.750 116.945 0.805 19817 3266 1 10 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.674 -0.294 19817 3267 1 10 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.323 -0.023 19817 3268 1 10 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.653 1.147 19817 3269 1 10 . 1 1 131 131 ASP H H 131 7.830 7.830 8.688 -0.858 19817 3270 1 10 . 1 1 132 132 ASP N N 132 119.880 119.880 120.402 -0.522 19817 3271 1 10 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.459 -0.239 19817 3272 1 10 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.050 1.150 19817 3273 1 10 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.999 1.101 19817 3274 1 10 . 1 1 132 132 ASP H H 132 7.570 7.570 7.657 -0.087 19817 3275 1 10 . 1 1 133 133 ILE N N 133 116.580 116.580 119.010 -2.430 19817 3276 1 10 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.732 -0.392 19817 3277 1 10 . 1 1 133 133 ILE CA C 133 65.500 65.500 63.111 2.389 19817 3278 1 10 . 1 1 133 133 ILE CB C 133 38.700 38.700 36.934 1.766 19817 3279 1 10 . 1 1 133 133 ILE H H 133 7.180 7.180 7.321 -0.141 19817 3280 1 10 . 1 1 134 134 GLU N N 134 117.740 117.740 120.446 -2.706 19817 3281 1 10 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.929 -0.039 19817 3282 1 10 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.924 -0.324 19817 3283 1 10 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.390 0.710 19817 3284 1 10 . 1 1 134 134 GLU H H 134 8.150 8.150 8.590 -0.440 19817 3285 1 10 . 1 1 135 135 GLU N N 135 116.300 116.300 118.651 -2.351 19817 3286 1 10 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.098 0.122 19817 3287 1 10 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.436 -0.536 19817 3288 1 10 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.263 0.037 19817 3289 1 10 . 1 1 135 135 GLU H H 135 8.430 8.430 8.174 0.256 19817 3290 1 10 . 1 1 136 136 LEU N N 136 120.700 120.700 121.442 -0.742 19817 3291 1 10 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.205 0.055 19817 3292 1 10 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.990 -0.590 19817 3293 1 10 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.506 0.194 19817 3294 1 10 . 1 1 136 136 LEU H H 136 8.100 8.100 7.482 0.618 19817 3295 1 10 . 1 1 137 137 MET N N 137 117.930 117.930 116.820 1.110 19817 3296 1 10 . 1 1 137 137 MET HA H 137 4.290 4.290 4.244 0.046 19817 3297 1 10 . 1 1 137 137 MET CA C 137 57.700 57.700 59.118 -1.418 19817 3298 1 10 . 1 1 137 137 MET CB C 137 30.600 30.600 32.799 -2.199 19817 3299 1 10 . 1 1 137 137 MET H H 137 8.180 8.180 7.602 0.578 19817 3300 1 10 . 1 1 138 138 LYS N N 138 117.370 117.370 118.128 -0.758 19817 3301 1 10 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.016 0.054 19817 3302 1 10 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.240 -0.240 19817 3303 1 10 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.024 0.576 19817 3304 1 10 . 1 1 138 138 LYS H H 138 8.060 8.060 8.249 -0.189 19817 3305 1 10 . 1 1 139 139 ASP N N 139 117.330 117.330 118.092 -0.762 19817 3306 1 10 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.489 -0.109 19817 3307 1 10 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.004 0.696 19817 3308 1 10 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.787 2.413 19817 3309 1 10 . 1 1 139 139 ASP H H 139 7.650 7.650 7.952 -0.302 19817 3310 1 10 . 1 1 140 140 GLY N N 140 101.850 101.850 104.499 -2.649 19817 3311 1 10 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.126 2.074 19817 3312 1 10 . 1 1 140 140 GLY H H 140 7.850 7.850 7.433 0.417 19817 3313 1 10 . 1 1 141 141 ASP N N 141 120.420 120.420 122.853 -2.433 19817 3314 1 10 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.931 -0.361 19817 3315 1 10 . 1 1 141 141 ASP CA C 141 53.200 53.200 52.672 0.528 19817 3316 1 10 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.546 -0.046 19817 3317 1 10 . 1 1 141 141 ASP H H 141 8.500 8.500 7.808 0.692 19817 3318 1 10 . 1 1 142 142 LYS N N 142 125.890 125.890 124.898 0.992 19817 3319 1 10 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.007 0.143 19817 3320 1 10 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.895 -0.995 19817 3321 1 10 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.529 0.471 19817 3322 1 10 . 1 1 142 142 LYS H H 142 7.740 7.740 8.555 -0.815 19817 3323 1 10 . 1 1 143 143 ASN N N 143 113.610 113.610 114.637 -1.027 19817 3324 1 10 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.841 -0.041 19817 3325 1 10 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.898 -1.198 19817 3326 1 10 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.302 -1.102 19817 3327 1 10 . 1 1 143 143 ASN H H 143 8.120 8.120 8.064 0.056 19817 3328 1 10 . 1 1 144 144 ASN N N 144 115.900 115.900 116.909 -1.009 19817 3329 1 10 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.567 -0.067 19817 3330 1 10 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.227 0.873 19817 3331 1 10 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.624 0.176 19817 3332 1 10 . 1 1 144 144 ASN H H 144 7.720 7.720 7.898 -0.178 19817 3333 1 10 . 1 1 145 145 ASP N N 145 118.570 118.570 115.659 2.911 19817 3334 1 10 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.719 -0.009 19817 3335 1 10 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.284 -0.284 19817 3336 1 10 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.907 0.093 19817 3337 1 10 . 1 1 145 145 ASP H H 145 8.680 8.680 8.223 0.457 19817 3338 1 10 . 1 1 146 146 GLY N N 146 112.940 112.940 108.861 4.079 19817 3339 1 10 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.927 -0.227 19817 3340 1 10 . 1 1 146 146 GLY H H 146 10.320 10.320 9.134 1.186 19817 3341 1 10 . 1 1 147 147 ARG N N 147 115.440 115.440 115.045 0.395 19817 3342 1 10 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.099 -0.189 19817 3343 1 10 . 1 1 147 147 ARG CA C 147 54.000 54.000 53.610 0.390 19817 3344 1 10 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.445 0.955 19817 3345 1 10 . 1 1 147 147 ARG H H 147 7.690 7.690 8.104 -0.414 19817 3346 1 10 . 1 1 148 148 ILE N N 148 126.090 126.090 120.608 5.482 19817 3347 1 10 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.724 0.326 19817 3348 1 10 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.610 1.990 19817 3349 1 10 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.586 2.414 19817 3350 1 10 . 1 1 148 148 ILE H H 148 9.430 9.430 8.846 0.584 19817 3351 1 10 . 1 1 149 149 ASP N N 149 129.170 129.170 129.242 -0.072 19817 3352 1 10 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.377 0.783 19817 3353 1 10 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.705 -1.204 19817 3354 1 10 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.325 -1.425 19817 3355 1 10 . 1 1 149 149 ASP H H 149 9.390 9.390 9.571 -0.181 19817 3356 1 10 . 1 1 150 150 TYR N N 150 118.600 118.600 123.438 -4.838 19817 3357 1 10 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.316 0.064 19817 3358 1 10 . 1 1 150 150 TYR CA C 150 62.200 62.200 61.735 0.465 19817 3359 1 10 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.118 0.082 19817 3360 1 10 . 1 1 150 150 TYR H H 150 8.420 8.420 7.982 0.438 19817 3361 1 10 . 1 1 151 151 ASP N N 151 118.060 118.060 117.429 0.631 19817 3362 1 10 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.134 -0.054 19817 3363 1 10 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.190 -0.290 19817 3364 1 10 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.511 0.089 19817 3365 1 10 . 1 1 151 151 ASP H H 151 7.740 7.740 8.946 -1.206 19817 3366 1 10 . 1 1 152 152 GLU N N 152 120.480 120.480 121.304 -0.824 19817 3367 1 10 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.004 0.026 19817 3368 1 10 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.071 -0.371 19817 3369 1 10 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.702 -0.002 19817 3370 1 10 . 1 1 152 152 GLU H H 152 8.880 8.880 7.888 0.992 19817 3371 1 10 . 1 1 153 153 PHE N N 153 124.990 124.990 121.396 3.594 19817 3372 1 10 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.475 -0.475 19817 3373 1 10 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.543 0.257 19817 3374 1 10 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.500 0.300 19817 3375 1 10 . 1 1 153 153 PHE H H 153 9.280 9.280 8.791 0.489 19817 3376 1 10 . 1 1 154 154 LEU N N 154 117.780 117.780 118.548 -0.768 19817 3377 1 10 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.704 -0.054 19817 3378 1 10 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.719 0.481 19817 3379 1 10 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.068 0.332 19817 3380 1 10 . 1 1 154 154 LEU H H 154 7.880 7.880 8.442 -0.562 19817 3381 1 10 . 1 1 155 155 GLU N N 155 116.556 116.556 119.351 -2.795 19817 3382 1 10 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.901 0.149 19817 3383 1 10 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.316 -0.415 19817 3384 1 10 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.998 0.502 19817 3385 1 10 . 1 1 155 155 GLU H H 155 6.910 6.910 7.863 -0.953 19817 3386 1 10 . 1 1 156 156 PHE N N 156 121.800 121.800 117.486 4.314 19817 3387 1 10 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.033 0.087 19817 3388 1 10 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.511 -2.911 19817 3389 1 10 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.502 2.398 19817 3390 1 10 . 1 1 156 156 PHE H H 156 8.610 8.610 7.448 1.162 19817 3391 1 10 . 1 1 157 157 MET N N 157 111.800 111.800 117.011 -5.211 19817 3392 1 10 . 1 1 157 157 MET HA H 157 4.360 4.360 4.034 0.326 19817 3393 1 10 . 1 1 157 157 MET CA C 157 53.300 53.300 58.250 -4.950 19817 3394 1 10 . 1 1 157 157 MET CB C 157 32.500 32.500 32.417 0.083 19817 3395 1 10 . 1 1 157 157 MET H H 157 7.490 7.490 7.461 0.029 19817 3396 1 10 . 1 1 158 158 LYS N N 158 121.970 121.970 120.091 1.879 19817 3397 1 10 . 1 1 158 158 LYS HA H 158 3.950 3.950 3.994 -0.044 19817 3398 1 10 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.897 0.403 19817 3399 1 10 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.477 -0.077 19817 3400 1 10 . 1 1 158 158 LYS H H 158 7.110 7.110 7.964 -0.854 19817 3401 1 10 . 1 1 159 159 ASP N N 159 116.800 116.800 120.386 -3.586 19817 3402 1 10 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.769 -0.329 19817 3403 1 10 . 1 1 159 159 ASP CA C 159 54.900 54.900 53.952 0.948 19817 3404 1 10 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.243 0.157 19817 3405 1 10 . 1 1 159 159 ASP H H 159 8.470 8.470 7.775 0.695 19817 3406 1 10 . 1 1 160 160 VAL N N 160 119.800 119.800 119.478 0.322 19817 3407 1 10 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.283 -0.493 19817 3408 1 10 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.399 1.901 19817 3409 1 10 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.303 -2.203 19817 3410 1 10 . 1 1 160 160 VAL H H 160 7.270 7.270 7.574 -0.304 19817 3411 1 11 . 1 1 91 91 GLY N N 91 123.830 123.830 114.937 8.893 19817 3412 1 11 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.554 -0.554 19817 3413 1 11 . 1 1 91 91 GLY H H 91 6.020 6.020 8.690 -2.670 19817 3414 1 11 . 1 1 92 92 LYS N N 92 121.100 121.100 123.362 -2.262 19817 3415 1 11 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.715 -0.285 19817 3416 1 11 . 1 1 92 92 LYS CA C 92 56.000 56.000 55.598 0.402 19817 3417 1 11 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.777 0.023 19817 3418 1 11 . 1 1 92 92 LYS H H 92 8.610 8.610 8.363 0.247 19817 3419 1 11 . 1 1 93 93 SER N N 93 117.190 117.190 119.735 -2.545 19817 3420 1 11 . 1 1 93 93 SER HA H 93 4.470 4.470 4.773 -0.303 19817 3421 1 11 . 1 1 93 93 SER CA C 93 58.100 58.100 57.068 1.032 19817 3422 1 11 . 1 1 93 93 SER CB C 93 65.000 65.000 66.098 -1.098 19817 3423 1 11 . 1 1 93 93 SER H H 93 8.760 8.760 9.271 -0.511 19817 3424 1 11 . 1 1 94 94 GLU N N 94 122.350 122.350 124.126 -1.776 19817 3425 1 11 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.113 -0.113 19817 3426 1 11 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.381 -0.381 19817 3427 1 11 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.456 -0.356 19817 3428 1 11 . 1 1 94 94 GLU H H 94 8.890 8.890 9.114 -0.224 19817 3429 1 11 . 1 1 95 95 GLU N N 95 119.160 119.160 118.274 0.886 19817 3430 1 11 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.107 -0.017 19817 3431 1 11 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.693 0.007 19817 3432 1 11 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.764 0.436 19817 3433 1 11 . 1 1 95 95 GLU H H 95 8.610 8.610 9.060 -0.450 19817 3434 1 11 . 1 1 96 96 GLU N N 96 120.300 120.300 120.201 0.099 19817 3435 1 11 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.187 0.103 19817 3436 1 11 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.064 -0.064 19817 3437 1 11 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.566 0.634 19817 3438 1 11 . 1 1 96 96 GLU H H 96 7.930 7.930 7.610 0.320 19817 3439 1 11 . 1 1 97 97 LEU N N 97 119.340 119.340 120.801 -1.461 19817 3440 1 11 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.249 0.021 19817 3441 1 11 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.117 0.383 19817 3442 1 11 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.978 -0.078 19817 3443 1 11 . 1 1 97 97 LEU H H 97 8.520 8.520 8.360 0.160 19817 3444 1 11 . 1 1 98 98 SER N N 98 115.800 115.800 115.707 0.093 19817 3445 1 11 . 1 1 98 98 SER HA H 98 4.280 4.280 4.357 -0.077 19817 3446 1 11 . 1 1 98 98 SER CA C 98 62.300 62.300 62.692 -0.392 19817 3447 1 11 . 1 1 98 98 SER CB C 98 62.500 62.500 62.871 -0.371 19817 3448 1 11 . 1 1 98 98 SER H H 98 8.700 8.700 9.008 -0.308 19817 3449 1 11 . 1 1 99 99 ASP N N 99 121.600 121.600 122.754 -1.154 19817 3450 1 11 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.482 0.218 19817 3451 1 11 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.413 1.087 19817 3452 1 11 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.149 0.251 19817 3453 1 11 . 1 1 99 99 ASP H H 99 7.510 7.510 7.981 -0.471 19817 3454 1 11 . 1 1 100 100 LEU N N 100 117.900 117.900 119.682 -1.782 19817 3455 1 11 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.225 -0.075 19817 3456 1 11 . 1 1 100 100 LEU CA C 100 58.300 58.300 58.402 -0.102 19817 3457 1 11 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.711 -0.111 19817 3458 1 11 . 1 1 100 100 LEU H H 100 8.170 8.170 8.145 0.025 19817 3459 1 11 . 1 1 101 101 PHE N N 101 120.490 120.490 119.750 0.740 19817 3460 1 11 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.925 1.345 19817 3461 1 11 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.475 0.725 19817 3462 1 11 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.889 0.311 19817 3463 1 11 . 1 1 101 101 PHE H H 101 8.760 8.760 8.800 -0.040 19817 3464 1 11 . 1 1 102 102 ARG N N 102 115.520 115.520 118.442 -2.922 19817 3465 1 11 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.939 0.031 19817 3466 1 11 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.366 -0.166 19817 3467 1 11 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.117 0.283 19817 3468 1 11 . 1 1 102 102 ARG H H 102 7.470 7.470 8.449 -0.979 19817 3469 1 11 . 1 1 103 103 MET N N 103 114.150 114.150 117.644 -3.494 19817 3470 1 11 . 1 1 103 103 MET HA H 103 4.370 4.370 4.154 0.216 19817 3471 1 11 . 1 1 103 103 MET CA C 103 55.900 55.900 58.050 -2.150 19817 3472 1 11 . 1 1 103 103 MET CB C 103 34.300 34.300 32.745 1.555 19817 3473 1 11 . 1 1 103 103 MET H H 103 7.590 7.590 7.435 0.155 19817 3474 1 11 . 1 1 104 104 PHE N N 104 115.060 115.060 115.649 -0.589 19817 3475 1 11 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.197 0.093 19817 3476 1 11 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.047 -0.647 19817 3477 1 11 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.084 2.616 19817 3478 1 11 . 1 1 104 104 PHE H H 104 7.380 7.380 7.404 -0.024 19817 3479 1 11 . 1 1 105 105 ASP N N 105 116.710 116.710 117.654 -0.944 19817 3480 1 11 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.882 -0.462 19817 3481 1 11 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.591 -0.191 19817 3482 1 11 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.939 -0.939 19817 3483 1 11 . 1 1 105 105 ASP H H 105 7.270 7.270 7.807 -0.537 19817 3484 1 11 . 1 1 106 106 LYS N N 106 124.270 124.270 126.439 -2.169 19817 3485 1 11 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.023 0.007 19817 3486 1 11 . 1 1 106 106 LYS C C 106 113.428 113.428 177.649 -64.221 19817 3487 1 11 . 1 1 106 106 LYS CA C 106 58.200 58.200 59.032 -0.832 19817 3488 1 11 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.482 0.418 19817 3489 1 11 . 1 1 106 106 LYS H H 106 7.510 7.510 8.140 -0.630 19817 3490 1 11 . 1 1 107 107 ASN N N 107 113.600 113.600 114.844 -1.244 19817 3491 1 11 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.781 -0.051 19817 3492 1 11 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.185 -1.485 19817 3493 1 11 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.566 -1.665 19817 3494 1 11 . 1 1 107 107 ASN H H 107 8.000 8.000 8.093 -0.093 19817 3495 1 11 . 1 1 108 108 ALA N N 108 121.600 121.600 119.843 1.757 19817 3496 1 11 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.190 -0.120 19817 3497 1 11 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.061 0.239 19817 3498 1 11 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.679 0.421 19817 3499 1 11 . 1 1 108 108 ALA H H 108 7.810 7.810 7.527 0.283 19817 3500 1 11 . 1 1 109 109 ASP N N 109 118.480 118.480 117.152 1.328 19817 3501 1 11 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.578 0.122 19817 3502 1 11 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.648 -0.448 19817 3503 1 11 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.229 -0.229 19817 3504 1 11 . 1 1 109 109 ASP H H 109 8.520 8.520 8.127 0.393 19817 3505 1 11 . 1 1 110 110 GLY N N 110 112.250 112.250 107.304 4.946 19817 3506 1 11 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.053 -0.053 19817 3507 1 11 . 1 1 110 110 GLY H H 110 10.400 10.400 8.950 1.450 19817 3508 1 11 . 1 1 111 111 TYR N N 111 115.590 115.590 118.977 -3.387 19817 3509 1 11 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.522 -0.352 19817 3510 1 11 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.686 -0.586 19817 3511 1 11 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.775 1.325 19817 3512 1 11 . 1 1 111 111 TYR H H 111 8.000 8.000 8.003 -0.003 19817 3513 1 11 . 1 1 112 112 ILE N N 112 125.560 125.560 123.788 1.772 19817 3514 1 11 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.343 0.417 19817 3515 1 11 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.317 -0.717 19817 3516 1 11 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.368 0.632 19817 3517 1 11 . 1 1 112 112 ILE H H 112 9.830 9.830 9.385 0.445 19817 3518 1 11 . 1 1 113 113 ASP N N 113 128.350 128.350 127.799 0.551 19817 3519 1 11 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.021 -0.061 19817 3520 1 11 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.585 -1.585 19817 3521 1 11 . 1 1 113 113 ASP CB C 113 42.200 42.200 42.593 -0.393 19817 3522 1 11 . 1 1 113 113 ASP H H 113 9.030 9.030 9.297 -0.267 19817 3523 1 11 . 1 1 114 114 LEU N N 114 118.300 118.300 122.449 -4.149 19817 3524 1 11 . 1 1 114 114 LEU HA H 114 3.980 3.980 3.958 0.022 19817 3525 1 11 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.741 0.059 19817 3526 1 11 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.841 0.759 19817 3527 1 11 . 1 1 114 114 LEU H H 114 8.530 8.530 8.907 -0.377 19817 3528 1 11 . 1 1 115 115 ASP N N 115 118.300 118.300 118.815 -0.515 19817 3529 1 11 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.381 -0.011 19817 3530 1 11 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.488 0.512 19817 3531 1 11 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.539 0.101 19817 3532 1 11 . 1 1 115 115 ASP H H 115 7.920 7.920 8.671 -0.751 19817 3533 1 11 . 1 1 116 116 GLU N N 116 121.400 121.400 119.999 1.401 19817 3534 1 11 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.032 0.598 19817 3535 1 11 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.115 -0.616 19817 3536 1 11 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.476 -0.076 19817 3537 1 11 . 1 1 116 116 GLU H H 116 8.670 8.670 8.312 0.358 19817 3538 1 11 . 1 1 117 117 LEU N N 117 121.200 121.200 118.997 2.203 19817 3539 1 11 . 1 1 117 117 LEU HA H 117 3.990 3.990 3.985 0.005 19817 3540 1 11 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.293 0.167 19817 3541 1 11 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.073 -0.023 19817 3542 1 11 . 1 1 117 117 LEU H H 117 8.670 8.670 8.206 0.464 19817 3543 1 11 . 1 1 118 118 LYS N N 118 118.800 118.800 118.811 -0.011 19817 3544 1 11 . 1 1 118 118 LYS HA H 118 3.820 3.820 4.029 -0.209 19817 3545 1 11 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.245 2.054 19817 3546 1 11 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.703 0.797 19817 3547 1 11 . 1 1 118 118 LYS H H 118 8.610 8.610 7.732 0.878 19817 3548 1 11 . 1 1 119 119 ILE N N 119 119.400 119.400 120.684 -1.284 19817 3549 1 11 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.976 -0.166 19817 3550 1 11 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.760 0.340 19817 3551 1 11 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.590 0.610 19817 3552 1 11 . 1 1 119 119 ILE H H 119 8.180 8.180 7.920 0.260 19817 3553 1 11 . 1 1 120 120 MET N N 120 119.340 119.340 118.479 0.861 19817 3554 1 11 . 1 1 120 120 MET HA H 120 3.360 3.360 4.030 -0.670 19817 3555 1 11 . 1 1 120 120 MET CA C 120 57.100 57.100 59.675 -2.575 19817 3556 1 11 . 1 1 120 120 MET CB C 120 31.600 31.600 32.017 -0.417 19817 3557 1 11 . 1 1 120 120 MET H H 120 7.500 7.500 7.442 0.058 19817 3558 1 11 . 1 1 121 121 LEU N N 121 117.920 117.920 119.693 -1.773 19817 3559 1 11 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.065 -0.035 19817 3560 1 11 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.500 0.100 19817 3561 1 11 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.346 1.354 19817 3562 1 11 . 1 1 121 121 LEU H H 121 8.520 8.520 7.473 1.047 19817 3563 1 11 . 1 1 122 122 GLN N N 122 120.780 120.780 118.396 2.384 19817 3564 1 11 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.432 -0.322 19817 3565 1 11 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.309 0.491 19817 3566 1 11 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.707 -0.707 19817 3567 1 11 . 1 1 122 122 GLN H H 122 8.810 8.810 8.211 0.599 19817 3568 1 11 . 1 1 123 123 ALA N N 123 121.220 121.220 119.723 1.497 19817 3569 1 11 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.068 0.232 19817 3570 1 11 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.257 -0.657 19817 3571 1 11 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.904 -0.404 19817 3572 1 11 . 1 1 123 123 ALA H H 123 7.580 7.580 7.959 -0.379 19817 3573 1 11 . 1 1 124 124 THR N N 124 106.720 106.720 112.612 -5.892 19817 3574 1 11 . 1 1 124 124 THR HA H 124 4.050 4.050 3.980 0.070 19817 3575 1 11 . 1 1 124 124 THR CA C 124 64.200 64.200 65.353 -1.153 19817 3576 1 11 . 1 1 124 124 THR CB C 124 71.300 71.300 69.311 1.989 19817 3577 1 11 . 1 1 124 124 THR H H 124 7.490 7.490 7.746 -0.256 19817 3578 1 11 . 1 1 125 125 GLY N N 125 108.350 108.350 107.941 0.409 19817 3579 1 11 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.404 0.196 19817 3580 1 11 . 1 1 125 125 GLY H H 125 7.680 7.680 7.627 0.053 19817 3581 1 11 . 1 1 126 126 GLU N N 126 120.100 120.100 120.839 -0.739 19817 3582 1 11 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.430 -0.150 19817 3583 1 11 . 1 1 126 126 GLU CA C 126 55.200 55.200 57.181 -1.981 19817 3584 1 11 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.504 0.496 19817 3585 1 11 . 1 1 126 126 GLU H H 126 7.500 7.500 8.281 -0.781 19817 3586 1 11 . 1 1 127 127 THR N N 127 119.830 119.830 111.604 8.226 19817 3587 1 11 . 1 1 127 127 THR HA H 127 4.170 4.170 4.566 -0.396 19817 3588 1 11 . 1 1 127 127 THR CA C 127 63.700 63.700 60.495 3.205 19817 3589 1 11 . 1 1 127 127 THR CB C 127 68.800 68.800 70.057 -1.257 19817 3590 1 11 . 1 1 127 127 THR H H 127 8.650 8.650 8.006 0.644 19817 3591 1 11 . 1 1 128 128 ILE N N 128 128.630 128.630 123.732 4.898 19817 3592 1 11 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.454 0.186 19817 3593 1 11 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.099 -1.399 19817 3594 1 11 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.615 -1.415 19817 3595 1 11 . 1 1 128 128 ILE H H 128 8.370 8.370 8.414 -0.044 19817 3596 1 11 . 1 1 129 129 THR N N 129 119.830 119.830 116.111 3.719 19817 3597 1 11 . 1 1 129 129 THR HA H 129 4.750 4.750 4.449 0.301 19817 3598 1 11 . 1 1 129 129 THR CA C 129 59.700 59.700 61.045 -1.345 19817 3599 1 11 . 1 1 129 129 THR CB C 129 72.300 72.300 70.581 1.719 19817 3600 1 11 . 1 1 129 129 THR H H 129 9.680 9.680 8.257 1.423 19817 3601 1 11 . 1 1 130 130 GLU N N 130 119.760 119.760 122.067 -2.307 19817 3602 1 11 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.902 0.128 19817 3603 1 11 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.792 -0.992 19817 3604 1 11 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.969 0.131 19817 3605 1 11 . 1 1 130 130 GLU H H 130 8.920 8.920 9.074 -0.154 19817 3606 1 11 . 1 1 131 131 ASP N N 131 117.750 117.750 116.445 1.305 19817 3607 1 11 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.497 -0.117 19817 3608 1 11 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.306 -0.006 19817 3609 1 11 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.875 0.925 19817 3610 1 11 . 1 1 131 131 ASP H H 131 7.830 7.830 8.662 -0.832 19817 3611 1 11 . 1 1 132 132 ASP N N 132 119.880 119.880 120.833 -0.953 19817 3612 1 11 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.423 -0.203 19817 3613 1 11 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.082 1.118 19817 3614 1 11 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.976 1.124 19817 3615 1 11 . 1 1 132 132 ASP H H 132 7.570 7.570 7.709 -0.139 19817 3616 1 11 . 1 1 133 133 ILE N N 133 116.580 116.580 120.229 -3.649 19817 3617 1 11 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.617 -0.277 19817 3618 1 11 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.392 0.108 19817 3619 1 11 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.907 0.792 19817 3620 1 11 . 1 1 133 133 ILE H H 133 7.180 7.180 7.317 -0.137 19817 3621 1 11 . 1 1 134 134 GLU N N 134 117.740 117.740 120.403 -2.663 19817 3622 1 11 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.973 -0.083 19817 3623 1 11 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.006 -0.406 19817 3624 1 11 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.347 0.753 19817 3625 1 11 . 1 1 134 134 GLU H H 134 8.150 8.150 8.731 -0.581 19817 3626 1 11 . 1 1 135 135 GLU N N 135 116.300 116.300 119.138 -2.838 19817 3627 1 11 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.123 0.097 19817 3628 1 11 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.320 -0.420 19817 3629 1 11 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.476 -0.176 19817 3630 1 11 . 1 1 135 135 GLU H H 135 8.430 8.430 8.209 0.221 19817 3631 1 11 . 1 1 136 136 LEU N N 136 120.700 120.700 122.809 -2.109 19817 3632 1 11 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.260 0.000 19817 3633 1 11 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.837 -0.437 19817 3634 1 11 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.129 -0.429 19817 3635 1 11 . 1 1 136 136 LEU H H 136 8.100 8.100 7.840 0.260 19817 3636 1 11 . 1 1 137 137 MET N N 137 117.930 117.930 117.454 0.476 19817 3637 1 11 . 1 1 137 137 MET HA H 137 4.290 4.290 4.232 0.058 19817 3638 1 11 . 1 1 137 137 MET CA C 137 57.700 57.700 59.778 -2.078 19817 3639 1 11 . 1 1 137 137 MET CB C 137 30.600 30.600 32.460 -1.860 19817 3640 1 11 . 1 1 137 137 MET H H 137 8.180 8.180 8.655 -0.475 19817 3641 1 11 . 1 1 138 138 LYS N N 138 117.370 117.370 119.352 -1.982 19817 3642 1 11 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.979 0.091 19817 3643 1 11 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.498 -0.498 19817 3644 1 11 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.284 0.316 19817 3645 1 11 . 1 1 138 138 LYS H H 138 8.060 8.060 8.466 -0.406 19817 3646 1 11 . 1 1 139 139 ASP N N 139 117.330 117.330 117.094 0.236 19817 3647 1 11 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.444 -0.064 19817 3648 1 11 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.283 0.417 19817 3649 1 11 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.039 2.160 19817 3650 1 11 . 1 1 139 139 ASP H H 139 7.650 7.650 7.922 -0.272 19817 3651 1 11 . 1 1 140 140 GLY N N 140 101.850 101.850 102.292 -0.442 19817 3652 1 11 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.832 2.368 19817 3653 1 11 . 1 1 140 140 GLY H H 140 7.850 7.850 7.254 0.596 19817 3654 1 11 . 1 1 141 141 ASP N N 141 120.420 120.420 121.491 -1.071 19817 3655 1 11 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.803 -0.233 19817 3656 1 11 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.042 -0.842 19817 3657 1 11 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.483 -1.983 19817 3658 1 11 . 1 1 141 141 ASP H H 141 8.500 8.500 8.331 0.169 19817 3659 1 11 . 1 1 142 142 LYS N N 142 125.890 125.890 123.397 2.493 19817 3660 1 11 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.289 -0.139 19817 3661 1 11 . 1 1 142 142 LYS CA C 142 57.900 57.900 56.781 1.119 19817 3662 1 11 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.556 0.444 19817 3663 1 11 . 1 1 142 142 LYS H H 142 7.740 7.740 8.458 -0.718 19817 3664 1 11 . 1 1 143 143 ASN N N 143 113.610 113.610 118.025 -4.415 19817 3665 1 11 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.938 -0.138 19817 3666 1 11 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.106 -0.406 19817 3667 1 11 . 1 1 143 143 ASN CB C 143 37.200 37.200 41.120 -3.920 19817 3668 1 11 . 1 1 143 143 ASN H H 143 8.120 8.120 8.434 -0.314 19817 3669 1 11 . 1 1 144 144 ASN N N 144 115.900 115.900 117.742 -1.842 19817 3670 1 11 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.696 -0.196 19817 3671 1 11 . 1 1 144 144 ASN CA C 144 55.100 55.100 53.313 1.787 19817 3672 1 11 . 1 1 144 144 ASN CB C 144 37.800 37.800 38.551 -0.751 19817 3673 1 11 . 1 1 144 144 ASN H H 144 7.720 7.720 8.848 -1.128 19817 3674 1 11 . 1 1 145 145 ASP N N 145 118.570 118.570 118.822 -0.252 19817 3675 1 11 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.411 0.299 19817 3676 1 11 . 1 1 145 145 ASP CA C 145 53.000 53.000 54.955 -1.955 19817 3677 1 11 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.155 0.845 19817 3678 1 11 . 1 1 145 145 ASP H H 145 8.680 8.680 8.299 0.381 19817 3679 1 11 . 1 1 146 146 GLY N N 146 112.940 112.940 107.577 5.363 19817 3680 1 11 . 1 1 146 146 GLY CA C 146 45.700 45.700 44.961 0.739 19817 3681 1 11 . 1 1 146 146 GLY H H 146 10.320 10.320 8.635 1.685 19817 3682 1 11 . 1 1 147 147 ARG N N 147 115.440 115.440 118.137 -2.697 19817 3683 1 11 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.040 -0.130 19817 3684 1 11 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.005 -0.005 19817 3685 1 11 . 1 1 147 147 ARG CB C 147 34.400 34.400 34.489 -0.089 19817 3686 1 11 . 1 1 147 147 ARG H H 147 7.690 7.690 7.671 0.019 19817 3687 1 11 . 1 1 148 148 ILE N N 148 126.090 126.090 122.380 3.710 19817 3688 1 11 . 1 1 148 148 ILE HA H 148 5.050 5.050 5.010 0.040 19817 3689 1 11 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.411 2.189 19817 3690 1 11 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.083 2.917 19817 3691 1 11 . 1 1 148 148 ILE H H 148 9.430 9.430 8.898 0.532 19817 3692 1 11 . 1 1 149 149 ASP N N 149 129.170 129.170 129.171 -0.001 19817 3693 1 11 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.974 0.186 19817 3694 1 11 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.691 -0.191 19817 3695 1 11 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.473 -1.573 19817 3696 1 11 . 1 1 149 149 ASP H H 149 9.390 9.390 9.454 -0.064 19817 3697 1 11 . 1 1 150 150 TYR N N 150 118.600 118.600 125.194 -6.594 19817 3698 1 11 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.648 -0.268 19817 3699 1 11 . 1 1 150 150 TYR CA C 150 62.200 62.200 63.004 -0.804 19817 3700 1 11 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.213 -0.013 19817 3701 1 11 . 1 1 150 150 TYR H H 150 8.420 8.420 7.939 0.481 19817 3702 1 11 . 1 1 151 151 ASP N N 151 118.060 118.060 118.186 -0.126 19817 3703 1 11 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.247 -0.167 19817 3704 1 11 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.447 0.453 19817 3705 1 11 . 1 1 151 151 ASP CB C 151 40.600 40.600 39.994 0.606 19817 3706 1 11 . 1 1 151 151 ASP H H 151 7.740 7.740 8.894 -1.154 19817 3707 1 11 . 1 1 152 152 GLU N N 152 120.480 120.480 120.518 -0.038 19817 3708 1 11 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.141 -0.111 19817 3709 1 11 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.216 -0.516 19817 3710 1 11 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.833 -0.133 19817 3711 1 11 . 1 1 152 152 GLU H H 152 8.880 8.880 8.112 0.768 19817 3712 1 11 . 1 1 153 153 PHE N N 153 124.990 124.990 121.454 3.536 19817 3713 1 11 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.391 -0.391 19817 3714 1 11 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.417 0.383 19817 3715 1 11 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.404 0.396 19817 3716 1 11 . 1 1 153 153 PHE H H 153 9.280 9.280 8.659 0.621 19817 3717 1 11 . 1 1 154 154 LEU N N 154 117.780 117.780 117.356 0.424 19817 3718 1 11 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.727 -0.077 19817 3719 1 11 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.898 0.302 19817 3720 1 11 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.927 0.473 19817 3721 1 11 . 1 1 154 154 LEU H H 154 7.880 7.880 8.597 -0.717 19817 3722 1 11 . 1 1 155 155 GLU N N 155 116.556 116.556 118.728 -2.172 19817 3723 1 11 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.944 0.106 19817 3724 1 11 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.003 -0.103 19817 3725 1 11 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.780 0.720 19817 3726 1 11 . 1 1 155 155 GLU H H 155 6.910 6.910 7.757 -0.847 19817 3727 1 11 . 1 1 156 156 PHE N N 156 121.800 121.800 119.772 2.028 19817 3728 1 11 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.097 0.023 19817 3729 1 11 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.432 -2.832 19817 3730 1 11 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.319 2.581 19817 3731 1 11 . 1 1 156 156 PHE H H 156 8.610 8.610 7.675 0.935 19817 3732 1 11 . 1 1 157 157 MET N N 157 111.800 111.800 118.753 -6.953 19817 3733 1 11 . 1 1 157 157 MET HA H 157 4.360 4.360 3.932 0.428 19817 3734 1 11 . 1 1 157 157 MET CA C 157 53.300 53.300 58.977 -5.677 19817 3735 1 11 . 1 1 157 157 MET CB C 157 32.500 32.500 32.447 0.053 19817 3736 1 11 . 1 1 157 157 MET H H 157 7.490 7.490 7.544 -0.054 19817 3737 1 11 . 1 1 158 158 LYS N N 158 121.970 121.970 119.259 2.711 19817 3738 1 11 . 1 1 158 158 LYS HA H 158 3.950 3.950 3.965 -0.015 19817 3739 1 11 . 1 1 158 158 LYS CA C 158 59.300 59.300 59.175 0.125 19817 3740 1 11 . 1 1 158 158 LYS CB C 158 32.400 32.400 31.685 0.715 19817 3741 1 11 . 1 1 158 158 LYS H H 158 7.110 7.110 7.766 -0.656 19817 3742 1 11 . 1 1 159 159 ASP N N 159 116.800 116.800 119.356 -2.556 19817 3743 1 11 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.380 0.060 19817 3744 1 11 . 1 1 159 159 ASP CA C 159 54.900 54.900 56.512 -1.612 19817 3745 1 11 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.816 -0.416 19817 3746 1 11 . 1 1 159 159 ASP H H 159 8.470 8.470 7.748 0.722 19817 3747 1 11 . 1 1 160 160 VAL N N 160 119.800 119.800 118.593 1.207 19817 3748 1 11 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.857 -0.067 19817 3749 1 11 . 1 1 160 160 VAL CA C 160 63.300 63.300 64.306 -1.006 19817 3750 1 11 . 1 1 160 160 VAL CB C 160 32.100 32.100 32.241 -0.141 19817 3751 1 11 . 1 1 160 160 VAL H H 160 7.270 7.270 7.628 -0.358 19817 3752 1 12 . 1 1 91 91 GLY N N 91 123.830 123.830 107.928 15.902 19817 3753 1 12 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.475 -0.475 19817 3754 1 12 . 1 1 91 91 GLY H H 91 6.020 6.020 9.307 -3.287 19817 3755 1 12 . 1 1 92 92 LYS N N 92 121.100 121.100 119.246 1.854 19817 3756 1 12 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.781 -0.351 19817 3757 1 12 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.899 -0.899 19817 3758 1 12 . 1 1 92 92 LYS CB C 92 33.800 33.800 34.410 -0.610 19817 3759 1 12 . 1 1 92 92 LYS H H 92 8.610 8.610 8.466 0.144 19817 3760 1 12 . 1 1 93 93 SER N N 93 117.190 117.190 118.132 -0.942 19817 3761 1 12 . 1 1 93 93 SER HA H 93 4.470 4.470 4.357 0.113 19817 3762 1 12 . 1 1 93 93 SER CA C 93 58.100 58.100 59.640 -1.540 19817 3763 1 12 . 1 1 93 93 SER CB C 93 65.000 65.000 64.181 0.819 19817 3764 1 12 . 1 1 93 93 SER H H 93 8.760 8.760 8.992 -0.232 19817 3765 1 12 . 1 1 94 94 GLU N N 94 122.350 122.350 125.070 -2.720 19817 3766 1 12 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.043 -0.043 19817 3767 1 12 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.834 0.166 19817 3768 1 12 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.281 -0.181 19817 3769 1 12 . 1 1 94 94 GLU H H 94 8.890 8.890 9.171 -0.281 19817 3770 1 12 . 1 1 95 95 GLU N N 95 119.160 119.160 118.836 0.324 19817 3771 1 12 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.168 -0.078 19817 3772 1 12 . 1 1 95 95 GLU CA C 95 59.700 59.700 60.138 -0.438 19817 3773 1 12 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.993 0.207 19817 3774 1 12 . 1 1 95 95 GLU H H 95 8.610 8.610 8.891 -0.281 19817 3775 1 12 . 1 1 96 96 GLU N N 96 120.300 120.300 120.160 0.140 19817 3776 1 12 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.123 0.167 19817 3777 1 12 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.142 -0.142 19817 3778 1 12 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.445 0.755 19817 3779 1 12 . 1 1 96 96 GLU H H 96 7.930 7.930 7.560 0.370 19817 3780 1 12 . 1 1 97 97 LEU N N 97 119.340 119.340 120.118 -0.778 19817 3781 1 12 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.124 0.146 19817 3782 1 12 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.243 0.257 19817 3783 1 12 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.672 0.229 19817 3784 1 12 . 1 1 97 97 LEU H H 97 8.520 8.520 8.622 -0.102 19817 3785 1 12 . 1 1 98 98 SER N N 98 115.800 115.800 114.999 0.801 19817 3786 1 12 . 1 1 98 98 SER HA H 98 4.280 4.280 4.174 0.106 19817 3787 1 12 . 1 1 98 98 SER CA C 98 62.300 62.300 62.893 -0.593 19817 3788 1 12 . 1 1 98 98 SER CB C 98 62.500 62.500 62.816 -0.316 19817 3789 1 12 . 1 1 98 98 SER H H 98 8.700 8.700 8.520 0.180 19817 3790 1 12 . 1 1 99 99 ASP N N 99 121.600 121.600 122.472 -0.872 19817 3791 1 12 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.483 0.217 19817 3792 1 12 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.351 1.149 19817 3793 1 12 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.044 0.356 19817 3794 1 12 . 1 1 99 99 ASP H H 99 7.510 7.510 7.686 -0.176 19817 3795 1 12 . 1 1 100 100 LEU N N 100 117.900 117.900 120.054 -2.154 19817 3796 1 12 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.114 0.036 19817 3797 1 12 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.751 0.549 19817 3798 1 12 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.039 -0.439 19817 3799 1 12 . 1 1 100 100 LEU H H 100 8.170 8.170 7.926 0.244 19817 3800 1 12 . 1 1 101 101 PHE N N 101 120.490 120.490 119.613 0.877 19817 3801 1 12 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.816 1.454 19817 3802 1 12 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.030 1.170 19817 3803 1 12 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.643 0.557 19817 3804 1 12 . 1 1 101 101 PHE H H 101 8.760 8.760 8.435 0.325 19817 3805 1 12 . 1 1 102 102 ARG N N 102 115.520 115.520 119.517 -3.997 19817 3806 1 12 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.865 0.105 19817 3807 1 12 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.087 0.113 19817 3808 1 12 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.994 0.406 19817 3809 1 12 . 1 1 102 102 ARG H H 102 7.470 7.470 7.900 -0.430 19817 3810 1 12 . 1 1 103 103 MET N N 103 114.150 114.150 116.906 -2.756 19817 3811 1 12 . 1 1 103 103 MET HA H 103 4.370 4.370 4.160 0.210 19817 3812 1 12 . 1 1 103 103 MET CA C 103 55.900 55.900 56.976 -1.076 19817 3813 1 12 . 1 1 103 103 MET CB C 103 34.300 34.300 31.624 2.676 19817 3814 1 12 . 1 1 103 103 MET H H 103 7.590 7.590 7.726 -0.136 19817 3815 1 12 . 1 1 104 104 PHE N N 104 115.060 115.060 118.498 -3.438 19817 3816 1 12 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.312 -0.022 19817 3817 1 12 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.766 -1.366 19817 3818 1 12 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.055 2.645 19817 3819 1 12 . 1 1 104 104 PHE H H 104 7.380 7.380 8.239 -0.859 19817 3820 1 12 . 1 1 105 105 ASP N N 105 116.710 116.710 119.379 -2.669 19817 3821 1 12 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.828 -0.408 19817 3822 1 12 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.129 -1.729 19817 3823 1 12 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.583 -2.583 19817 3824 1 12 . 1 1 105 105 ASP H H 105 7.270 7.270 7.490 -0.220 19817 3825 1 12 . 1 1 106 106 LYS N N 106 124.270 124.270 125.281 -1.011 19817 3826 1 12 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.362 -0.332 19817 3827 1 12 . 1 1 106 106 LYS C C 106 113.428 113.428 177.444 -64.016 19817 3828 1 12 . 1 1 106 106 LYS CA C 106 58.200 58.200 56.555 1.645 19817 3829 1 12 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.565 -0.665 19817 3830 1 12 . 1 1 106 106 LYS H H 106 7.510 7.510 8.266 -0.756 19817 3831 1 12 . 1 1 107 107 ASN N N 107 113.600 113.600 117.080 -3.480 19817 3832 1 12 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.751 -0.021 19817 3833 1 12 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.883 -1.183 19817 3834 1 12 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.803 -1.903 19817 3835 1 12 . 1 1 107 107 ASN H H 107 8.000 8.000 7.831 0.169 19817 3836 1 12 . 1 1 108 108 ALA N N 108 121.600 121.600 120.812 0.788 19817 3837 1 12 . 1 1 108 108 ALA HA H 108 4.070 4.070 3.924 0.146 19817 3838 1 12 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.574 -0.274 19817 3839 1 12 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.011 0.089 19817 3840 1 12 . 1 1 108 108 ALA H H 108 7.810 7.810 8.157 -0.347 19817 3841 1 12 . 1 1 109 109 ASP N N 109 118.480 118.480 118.111 0.369 19817 3842 1 12 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.417 0.283 19817 3843 1 12 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.648 -1.448 19817 3844 1 12 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.107 -0.107 19817 3845 1 12 . 1 1 109 109 ASP H H 109 8.520 8.520 7.923 0.597 19817 3846 1 12 . 1 1 110 110 GLY N N 110 112.250 112.250 106.703 5.547 19817 3847 1 12 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.787 0.213 19817 3848 1 12 . 1 1 110 110 GLY H H 110 10.400 10.400 8.652 1.748 19817 3849 1 12 . 1 1 111 111 TYR N N 111 115.590 115.590 118.873 -3.283 19817 3850 1 12 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.013 0.157 19817 3851 1 12 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.399 -0.299 19817 3852 1 12 . 1 1 111 111 TYR CB C 111 43.100 43.100 40.473 2.627 19817 3853 1 12 . 1 1 111 111 TYR H H 111 8.000 8.000 8.327 -0.327 19817 3854 1 12 . 1 1 112 112 ILE N N 112 125.560 125.560 123.076 2.484 19817 3855 1 12 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.194 0.566 19817 3856 1 12 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.278 -0.678 19817 3857 1 12 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.794 0.206 19817 3858 1 12 . 1 1 112 112 ILE H H 112 9.830 9.830 9.266 0.564 19817 3859 1 12 . 1 1 113 113 ASP N N 113 128.350 128.350 127.009 1.341 19817 3860 1 12 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.009 -0.049 19817 3861 1 12 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.458 -0.458 19817 3862 1 12 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.300 -2.100 19817 3863 1 12 . 1 1 113 113 ASP H H 113 9.030 9.030 8.570 0.460 19817 3864 1 12 . 1 1 114 114 LEU N N 114 118.300 118.300 121.852 -3.552 19817 3865 1 12 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.135 -0.155 19817 3866 1 12 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.373 0.427 19817 3867 1 12 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.539 1.061 19817 3868 1 12 . 1 1 114 114 LEU H H 114 8.530 8.530 8.907 -0.377 19817 3869 1 12 . 1 1 115 115 ASP N N 115 118.300 118.300 118.917 -0.617 19817 3870 1 12 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.315 0.055 19817 3871 1 12 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.068 -0.068 19817 3872 1 12 . 1 1 115 115 ASP CB C 115 40.640 40.640 41.002 -0.362 19817 3873 1 12 . 1 1 115 115 ASP H H 115 7.920 7.920 9.053 -1.133 19817 3874 1 12 . 1 1 116 116 GLU N N 116 121.400 121.400 119.792 1.608 19817 3875 1 12 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.005 0.625 19817 3876 1 12 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.994 -0.494 19817 3877 1 12 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.596 -0.196 19817 3878 1 12 . 1 1 116 116 GLU H H 116 8.670 8.670 7.897 0.773 19817 3879 1 12 . 1 1 117 117 LEU N N 117 121.200 121.200 120.746 0.454 19817 3880 1 12 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.112 -0.122 19817 3881 1 12 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.026 0.433 19817 3882 1 12 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.194 -0.144 19817 3883 1 12 . 1 1 117 117 LEU H H 117 8.670 8.670 8.409 0.261 19817 3884 1 12 . 1 1 118 118 LYS N N 118 118.800 118.800 119.400 -0.600 19817 3885 1 12 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.925 -0.105 19817 3886 1 12 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.626 1.674 19817 3887 1 12 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.785 0.715 19817 3888 1 12 . 1 1 118 118 LYS H H 118 8.610 8.610 8.261 0.349 19817 3889 1 12 . 1 1 119 119 ILE N N 119 119.400 119.400 120.635 -1.235 19817 3890 1 12 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.852 -0.042 19817 3891 1 12 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.054 0.046 19817 3892 1 12 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.709 0.492 19817 3893 1 12 . 1 1 119 119 ILE H H 119 8.180 8.180 7.591 0.589 19817 3894 1 12 . 1 1 120 120 MET N N 120 119.340 119.340 118.760 0.580 19817 3895 1 12 . 1 1 120 120 MET HA H 120 3.360 3.360 4.107 -0.747 19817 3896 1 12 . 1 1 120 120 MET CA C 120 57.100 57.100 58.807 -1.707 19817 3897 1 12 . 1 1 120 120 MET CB C 120 31.600 31.600 32.596 -0.996 19817 3898 1 12 . 1 1 120 120 MET H H 120 7.500 7.500 7.330 0.170 19817 3899 1 12 . 1 1 121 121 LEU N N 121 117.920 117.920 120.766 -2.846 19817 3900 1 12 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.102 -0.072 19817 3901 1 12 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.616 -0.016 19817 3902 1 12 . 1 1 121 121 LEU CB C 121 41.700 41.700 41.378 0.322 19817 3903 1 12 . 1 1 121 121 LEU H H 121 8.520 8.520 7.719 0.801 19817 3904 1 12 . 1 1 122 122 GLN N N 122 120.780 120.780 118.751 2.029 19817 3905 1 12 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.037 0.073 19817 3906 1 12 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.423 0.377 19817 3907 1 12 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.049 -0.049 19817 3908 1 12 . 1 1 122 122 GLN H H 122 8.810 8.810 8.816 -0.006 19817 3909 1 12 . 1 1 123 123 ALA N N 123 121.220 121.220 122.623 -1.403 19817 3910 1 12 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.229 0.071 19817 3911 1 12 . 1 1 123 123 ALA CA C 123 53.600 53.600 53.973 -0.373 19817 3912 1 12 . 1 1 123 123 ALA CB C 123 18.500 18.500 19.044 -0.544 19817 3913 1 12 . 1 1 123 123 ALA H H 123 7.580 7.580 7.830 -0.250 19817 3914 1 12 . 1 1 124 124 THR N N 124 106.720 106.720 111.392 -4.672 19817 3915 1 12 . 1 1 124 124 THR HA H 124 4.050 4.050 4.417 -0.367 19817 3916 1 12 . 1 1 124 124 THR CA C 124 64.200 64.200 62.202 1.998 19817 3917 1 12 . 1 1 124 124 THR CB C 124 71.300 71.300 68.067 3.233 19817 3918 1 12 . 1 1 124 124 THR H H 124 7.490 7.490 7.517 -0.027 19817 3919 1 12 . 1 1 125 125 GLY N N 125 108.350 108.350 109.219 -0.869 19817 3920 1 12 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.321 0.279 19817 3921 1 12 . 1 1 125 125 GLY H H 125 7.680 7.680 7.629 0.051 19817 3922 1 12 . 1 1 126 126 GLU N N 126 120.100 120.100 120.367 -0.267 19817 3923 1 12 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.478 -0.198 19817 3924 1 12 . 1 1 126 126 GLU CA C 126 55.200 55.200 55.765 -0.565 19817 3925 1 12 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.814 0.187 19817 3926 1 12 . 1 1 126 126 GLU H H 126 7.500 7.500 8.448 -0.948 19817 3927 1 12 . 1 1 127 127 THR N N 127 119.830 119.830 115.722 4.108 19817 3928 1 12 . 1 1 127 127 THR HA H 127 4.170 4.170 4.376 -0.206 19817 3929 1 12 . 1 1 127 127 THR CA C 127 63.700 63.700 62.475 1.225 19817 3930 1 12 . 1 1 127 127 THR CB C 127 68.800 68.800 68.907 -0.107 19817 3931 1 12 . 1 1 127 127 THR H H 127 8.650 8.650 8.299 0.351 19817 3932 1 12 . 1 1 128 128 ILE N N 128 128.630 128.630 122.269 6.361 19817 3933 1 12 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.539 0.101 19817 3934 1 12 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.341 -1.641 19817 3935 1 12 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.138 -1.938 19817 3936 1 12 . 1 1 128 128 ILE H H 128 8.370 8.370 8.181 0.189 19817 3937 1 12 . 1 1 129 129 THR N N 129 119.830 119.830 115.531 4.299 19817 3938 1 12 . 1 1 129 129 THR HA H 129 4.750 4.750 4.530 0.220 19817 3939 1 12 . 1 1 129 129 THR CA C 129 59.700 59.700 60.807 -1.107 19817 3940 1 12 . 1 1 129 129 THR CB C 129 72.300 72.300 70.057 2.243 19817 3941 1 12 . 1 1 129 129 THR H H 129 9.680 9.680 8.363 1.317 19817 3942 1 12 . 1 1 130 130 GLU N N 130 119.760 119.760 120.893 -1.133 19817 3943 1 12 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.242 -0.212 19817 3944 1 12 . 1 1 130 130 GLU CA C 130 59.800 59.800 57.188 2.612 19817 3945 1 12 . 1 1 130 130 GLU CB C 130 29.100 29.100 27.782 1.318 19817 3946 1 12 . 1 1 130 130 GLU H H 130 8.920 8.920 8.746 0.174 19817 3947 1 12 . 1 1 131 131 ASP N N 131 117.750 117.750 119.151 -1.401 19817 3948 1 12 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.606 -0.226 19817 3949 1 12 . 1 1 131 131 ASP CA C 131 57.300 57.300 55.102 2.198 19817 3950 1 12 . 1 1 131 131 ASP CB C 131 40.800 40.800 41.456 -0.657 19817 3951 1 12 . 1 1 131 131 ASP H H 131 7.830 7.830 8.392 -0.562 19817 3952 1 12 . 1 1 132 132 ASP N N 132 119.880 119.880 122.102 -2.222 19817 3953 1 12 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.385 -0.165 19817 3954 1 12 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.447 0.753 19817 3955 1 12 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.971 1.129 19817 3956 1 12 . 1 1 132 132 ASP H H 132 7.570 7.570 8.293 -0.723 19817 3957 1 12 . 1 1 133 133 ILE N N 133 116.580 116.580 118.639 -2.059 19817 3958 1 12 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.678 -0.338 19817 3959 1 12 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.298 0.202 19817 3960 1 12 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.630 1.070 19817 3961 1 12 . 1 1 133 133 ILE H H 133 7.180 7.180 7.840 -0.660 19817 3962 1 12 . 1 1 134 134 GLU N N 134 117.740 117.740 120.297 -2.557 19817 3963 1 12 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.900 -0.010 19817 3964 1 12 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.150 -0.550 19817 3965 1 12 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.270 0.830 19817 3966 1 12 . 1 1 134 134 GLU H H 134 8.150 8.150 8.442 -0.292 19817 3967 1 12 . 1 1 135 135 GLU N N 135 116.300 116.300 119.556 -3.256 19817 3968 1 12 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.065 0.155 19817 3969 1 12 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.238 -0.338 19817 3970 1 12 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.312 -0.012 19817 3971 1 12 . 1 1 135 135 GLU H H 135 8.430 8.430 8.382 0.048 19817 3972 1 12 . 1 1 136 136 LEU N N 136 120.700 120.700 121.490 -0.790 19817 3973 1 12 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.131 0.129 19817 3974 1 12 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.873 -0.473 19817 3975 1 12 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.966 -0.266 19817 3976 1 12 . 1 1 136 136 LEU H H 136 8.100 8.100 8.018 0.082 19817 3977 1 12 . 1 1 137 137 MET N N 137 117.930 117.930 117.634 0.296 19817 3978 1 12 . 1 1 137 137 MET HA H 137 4.290 4.290 4.286 0.004 19817 3979 1 12 . 1 1 137 137 MET CA C 137 57.700 57.700 57.773 -0.073 19817 3980 1 12 . 1 1 137 137 MET CB C 137 30.600 30.600 31.552 -0.952 19817 3981 1 12 . 1 1 137 137 MET H H 137 8.180 8.180 8.253 -0.073 19817 3982 1 12 . 1 1 138 138 LYS N N 138 117.370 117.370 118.368 -0.998 19817 3983 1 12 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.000 0.070 19817 3984 1 12 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.556 -0.556 19817 3985 1 12 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.081 0.519 19817 3986 1 12 . 1 1 138 138 LYS H H 138 8.060 8.060 8.751 -0.691 19817 3987 1 12 . 1 1 139 139 ASP N N 139 117.330 117.330 117.158 0.172 19817 3988 1 12 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.481 -0.101 19817 3989 1 12 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.480 0.220 19817 3990 1 12 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.264 1.936 19817 3991 1 12 . 1 1 139 139 ASP H H 139 7.650 7.650 7.925 -0.275 19817 3992 1 12 . 1 1 140 140 GLY N N 140 101.850 101.850 103.988 -2.138 19817 3993 1 12 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.129 2.071 19817 3994 1 12 . 1 1 140 140 GLY H H 140 7.850 7.850 7.561 0.289 19817 3995 1 12 . 1 1 141 141 ASP N N 141 120.420 120.420 123.230 -2.810 19817 3996 1 12 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.156 -0.586 19817 3997 1 12 . 1 1 141 141 ASP CA C 141 53.200 53.200 55.203 -2.003 19817 3998 1 12 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.993 -2.493 19817 3999 1 12 . 1 1 141 141 ASP H H 141 8.500 8.500 8.309 0.191 19817 4000 1 12 . 1 1 142 142 LYS N N 142 125.890 125.890 124.862 1.028 19817 4001 1 12 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.556 -0.406 19817 4002 1 12 . 1 1 142 142 LYS CA C 142 57.900 57.900 55.040 2.860 19817 4003 1 12 . 1 1 142 142 LYS CB C 142 33.000 33.000 35.380 -2.380 19817 4004 1 12 . 1 1 142 142 LYS H H 142 7.740 7.740 9.098 -1.358 19817 4005 1 12 . 1 1 143 143 ASN N N 143 113.610 113.610 120.017 -6.407 19817 4006 1 12 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.347 0.453 19817 4007 1 12 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.350 -1.650 19817 4008 1 12 . 1 1 143 143 ASN CB C 143 37.200 37.200 37.873 -0.673 19817 4009 1 12 . 1 1 143 143 ASN H H 143 8.120 8.120 8.931 -0.811 19817 4010 1 12 . 1 1 144 144 ASN N N 144 115.900 115.900 114.250 1.650 19817 4011 1 12 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.469 0.031 19817 4012 1 12 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.279 0.821 19817 4013 1 12 . 1 1 144 144 ASN CB C 144 37.800 37.800 38.183 -0.383 19817 4014 1 12 . 1 1 144 144 ASN H H 144 7.720 7.720 8.487 -0.767 19817 4015 1 12 . 1 1 145 145 ASP N N 145 118.570 118.570 115.855 2.715 19817 4016 1 12 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.612 0.098 19817 4017 1 12 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.667 -0.667 19817 4018 1 12 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.834 0.166 19817 4019 1 12 . 1 1 145 145 ASP H H 145 8.680 8.680 7.888 0.792 19817 4020 1 12 . 1 1 146 146 GLY N N 146 112.940 112.940 108.921 4.019 19817 4021 1 12 . 1 1 146 146 GLY CA C 146 45.700 45.700 46.121 -0.421 19817 4022 1 12 . 1 1 146 146 GLY H H 146 10.320 10.320 8.640 1.680 19817 4023 1 12 . 1 1 147 147 ARG N N 147 115.440 115.440 118.556 -3.116 19817 4024 1 12 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.121 -0.211 19817 4025 1 12 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.334 -0.334 19817 4026 1 12 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.475 0.925 19817 4027 1 12 . 1 1 147 147 ARG H H 147 7.690 7.690 7.999 -0.309 19817 4028 1 12 . 1 1 148 148 ILE N N 148 126.090 126.090 122.304 3.786 19817 4029 1 12 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.585 0.465 19817 4030 1 12 . 1 1 148 148 ILE CA C 148 60.600 60.600 58.637 1.963 19817 4031 1 12 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.463 2.537 19817 4032 1 12 . 1 1 148 148 ILE H H 148 9.430 9.430 9.136 0.294 19817 4033 1 12 . 1 1 149 149 ASP N N 149 129.170 129.170 128.625 0.545 19817 4034 1 12 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.276 -0.116 19817 4035 1 12 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.416 -0.916 19817 4036 1 12 . 1 1 149 149 ASP CB C 149 41.900 41.900 44.169 -2.269 19817 4037 1 12 . 1 1 149 149 ASP H H 149 9.390 9.390 8.822 0.568 19817 4038 1 12 . 1 1 150 150 TYR N N 150 118.600 118.600 122.305 -3.705 19817 4039 1 12 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.400 0.980 19817 4040 1 12 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.742 -0.541 19817 4041 1 12 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.355 -0.155 19817 4042 1 12 . 1 1 150 150 TYR H H 150 8.420 8.420 9.204 -0.784 19817 4043 1 12 . 1 1 151 151 ASP N N 151 118.060 118.060 117.247 0.813 19817 4044 1 12 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.205 -0.125 19817 4045 1 12 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.031 -0.131 19817 4046 1 12 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.663 -0.063 19817 4047 1 12 . 1 1 151 151 ASP H H 151 7.740 7.740 8.924 -1.184 19817 4048 1 12 . 1 1 152 152 GLU N N 152 120.480 120.480 118.873 1.607 19817 4049 1 12 . 1 1 152 152 GLU HA H 152 4.030 4.030 3.956 0.074 19817 4050 1 12 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.742 -0.042 19817 4051 1 12 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.556 0.144 19817 4052 1 12 . 1 1 152 152 GLU H H 152 8.880 8.880 8.152 0.728 19817 4053 1 12 . 1 1 153 153 PHE N N 153 124.990 124.990 120.705 4.285 19817 4054 1 12 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.372 -0.372 19817 4055 1 12 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.251 0.549 19817 4056 1 12 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.600 0.200 19817 4057 1 12 . 1 1 153 153 PHE H H 153 9.280 9.280 8.544 0.736 19817 4058 1 12 . 1 1 154 154 LEU N N 154 117.780 117.780 117.592 0.188 19817 4059 1 12 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.753 -0.103 19817 4060 1 12 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.713 0.487 19817 4061 1 12 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.875 0.525 19817 4062 1 12 . 1 1 154 154 LEU H H 154 7.880 7.880 7.996 -0.116 19817 4063 1 12 . 1 1 155 155 GLU N N 155 116.556 116.556 119.176 -2.620 19817 4064 1 12 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.945 0.105 19817 4065 1 12 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.603 0.297 19817 4066 1 12 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.790 0.710 19817 4067 1 12 . 1 1 155 155 GLU H H 155 6.910 6.910 7.661 -0.751 19817 4068 1 12 . 1 1 156 156 PHE N N 156 121.800 121.800 119.541 2.259 19817 4069 1 12 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.115 0.005 19817 4070 1 12 . 1 1 156 156 PHE CA C 156 58.600 58.600 60.768 -2.168 19817 4071 1 12 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.581 2.319 19817 4072 1 12 . 1 1 156 156 PHE H H 156 8.610 8.610 7.340 1.270 19817 4073 1 12 . 1 1 157 157 MET N N 157 111.800 111.800 113.391 -1.591 19817 4074 1 12 . 1 1 157 157 MET HA H 157 4.360 4.360 4.590 -0.230 19817 4075 1 12 . 1 1 157 157 MET CA C 157 53.300 53.300 53.808 -0.508 19817 4076 1 12 . 1 1 157 157 MET CB C 157 32.500 32.500 30.870 1.630 19817 4077 1 12 . 1 1 157 157 MET H H 157 7.490 7.490 8.055 -0.565 19817 4078 1 12 . 1 1 158 158 LYS N N 158 121.970 121.970 121.086 0.884 19817 4079 1 12 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.091 -0.141 19817 4080 1 12 . 1 1 158 158 LYS CA C 158 59.300 59.300 59.261 0.039 19817 4081 1 12 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.396 0.004 19817 4082 1 12 . 1 1 158 158 LYS H H 158 7.110 7.110 7.313 -0.203 19817 4083 1 12 . 1 1 159 159 ASP N N 159 116.800 116.800 119.439 -2.639 19817 4084 1 12 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.680 -0.240 19817 4085 1 12 . 1 1 159 159 ASP CA C 159 54.900 54.900 53.505 1.395 19817 4086 1 12 . 1 1 159 159 ASP CB C 159 40.400 40.400 39.694 0.706 19817 4087 1 12 . 1 1 159 159 ASP H H 159 8.470 8.470 8.361 0.109 19817 4088 1 12 . 1 1 160 160 VAL N N 160 119.800 119.800 120.481 -0.681 19817 4089 1 12 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.307 -0.517 19817 4090 1 12 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.419 1.881 19817 4091 1 12 . 1 1 160 160 VAL CB C 160 32.100 32.100 36.014 -3.914 19817 4092 1 12 . 1 1 160 160 VAL H H 160 7.270 7.270 7.444 -0.174 19817 4093 1 13 . 1 1 91 91 GLY N N 91 123.830 123.830 110.772 13.058 19817 4094 1 13 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.568 -0.568 19817 4095 1 13 . 1 1 91 91 GLY H H 91 6.020 6.020 8.614 -2.594 19817 4096 1 13 . 1 1 92 92 LYS N N 92 121.100 121.100 119.874 1.226 19817 4097 1 13 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.324 0.106 19817 4098 1 13 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.663 -0.663 19817 4099 1 13 . 1 1 92 92 LYS CB C 92 33.800 33.800 32.867 0.933 19817 4100 1 13 . 1 1 92 92 LYS H H 92 8.610 8.610 8.334 0.276 19817 4101 1 13 . 1 1 93 93 SER N N 93 117.190 117.190 115.835 1.355 19817 4102 1 13 . 1 1 93 93 SER HA H 93 4.470 4.470 4.541 -0.071 19817 4103 1 13 . 1 1 93 93 SER CA C 93 58.100 58.100 59.263 -1.163 19817 4104 1 13 . 1 1 93 93 SER CB C 93 65.000 65.000 63.356 1.644 19817 4105 1 13 . 1 1 93 93 SER H H 93 8.760 8.760 7.994 0.766 19817 4106 1 13 . 1 1 94 94 GLU N N 94 122.350 122.350 127.243 -4.893 19817 4107 1 13 . 1 1 94 94 GLU HA H 94 4.000 4.000 3.957 0.043 19817 4108 1 13 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.232 -0.232 19817 4109 1 13 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.525 -0.425 19817 4110 1 13 . 1 1 94 94 GLU H H 94 8.890 8.890 8.864 0.026 19817 4111 1 13 . 1 1 95 95 GLU N N 95 119.160 119.160 119.080 0.080 19817 4112 1 13 . 1 1 95 95 GLU HA H 95 4.090 4.090 3.995 0.095 19817 4113 1 13 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.372 0.328 19817 4114 1 13 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.862 0.338 19817 4115 1 13 . 1 1 95 95 GLU H H 95 8.610 8.610 8.643 -0.033 19817 4116 1 13 . 1 1 96 96 GLU N N 96 120.300 120.300 120.548 -0.248 19817 4117 1 13 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.108 0.182 19817 4118 1 13 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.038 -0.038 19817 4119 1 13 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.517 0.683 19817 4120 1 13 . 1 1 96 96 GLU H H 96 7.930 7.930 7.828 0.102 19817 4121 1 13 . 1 1 97 97 LEU N N 97 119.340 119.340 119.282 0.058 19817 4122 1 13 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.244 0.026 19817 4123 1 13 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.409 1.091 19817 4124 1 13 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.750 0.150 19817 4125 1 13 . 1 1 97 97 LEU H H 97 8.520 8.520 7.695 0.825 19817 4126 1 13 . 1 1 98 98 SER N N 98 115.800 115.800 115.050 0.750 19817 4127 1 13 . 1 1 98 98 SER HA H 98 4.280 4.280 4.310 -0.030 19817 4128 1 13 . 1 1 98 98 SER CA C 98 62.300 62.300 61.802 0.498 19817 4129 1 13 . 1 1 98 98 SER CB C 98 62.500 62.500 62.332 0.168 19817 4130 1 13 . 1 1 98 98 SER H H 98 8.700 8.700 8.273 0.427 19817 4131 1 13 . 1 1 99 99 ASP N N 99 121.600 121.600 122.015 -0.415 19817 4132 1 13 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.411 0.289 19817 4133 1 13 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.285 1.214 19817 4134 1 13 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.883 0.517 19817 4135 1 13 . 1 1 99 99 ASP H H 99 7.510 7.510 7.724 -0.214 19817 4136 1 13 . 1 1 100 100 LEU N N 100 117.900 117.900 118.745 -0.845 19817 4137 1 13 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.310 -0.160 19817 4138 1 13 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.388 0.912 19817 4139 1 13 . 1 1 100 100 LEU CB C 100 41.600 41.600 40.942 0.658 19817 4140 1 13 . 1 1 100 100 LEU H H 100 8.170 8.170 7.783 0.387 19817 4141 1 13 . 1 1 101 101 PHE N N 101 120.490 120.490 119.421 1.069 19817 4142 1 13 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.980 1.290 19817 4143 1 13 . 1 1 101 101 PHE CA C 101 62.200 62.200 60.701 1.499 19817 4144 1 13 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.666 0.534 19817 4145 1 13 . 1 1 101 101 PHE H H 101 8.760 8.760 7.836 0.924 19817 4146 1 13 . 1 1 102 102 ARG N N 102 115.520 115.520 117.869 -2.349 19817 4147 1 13 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.955 0.015 19817 4148 1 13 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.078 0.122 19817 4149 1 13 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.474 0.926 19817 4150 1 13 . 1 1 102 102 ARG H H 102 7.470 7.470 8.090 -0.620 19817 4151 1 13 . 1 1 103 103 MET N N 103 114.150 114.150 116.931 -2.781 19817 4152 1 13 . 1 1 103 103 MET HA H 103 4.370 4.370 4.099 0.271 19817 4153 1 13 . 1 1 103 103 MET CA C 103 55.900 55.900 57.641 -1.741 19817 4154 1 13 . 1 1 103 103 MET CB C 103 34.300 34.300 32.566 1.734 19817 4155 1 13 . 1 1 103 103 MET H H 103 7.590 7.590 7.490 0.100 19817 4156 1 13 . 1 1 104 104 PHE N N 104 115.060 115.060 116.281 -1.221 19817 4157 1 13 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.316 -0.026 19817 4158 1 13 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.399 0.001 19817 4159 1 13 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.406 2.295 19817 4160 1 13 . 1 1 104 104 PHE H H 104 7.380 7.380 7.392 -0.012 19817 4161 1 13 . 1 1 105 105 ASP N N 105 116.710 116.710 118.803 -2.093 19817 4162 1 13 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.898 -0.478 19817 4163 1 13 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.591 -0.191 19817 4164 1 13 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.944 -0.944 19817 4165 1 13 . 1 1 105 105 ASP H H 105 7.270 7.270 7.992 -0.722 19817 4166 1 13 . 1 1 106 106 LYS N N 106 124.270 124.270 127.130 -2.860 19817 4167 1 13 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.065 -0.035 19817 4168 1 13 . 1 1 106 106 LYS C C 106 113.428 113.428 177.271 -63.843 19817 4169 1 13 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.435 -0.235 19817 4170 1 13 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.478 0.422 19817 4171 1 13 . 1 1 106 106 LYS H H 106 7.510 7.510 8.039 -0.529 19817 4172 1 13 . 1 1 107 107 ASN N N 107 113.600 113.600 114.578 -0.978 19817 4173 1 13 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.758 -0.028 19817 4174 1 13 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.751 -1.051 19817 4175 1 13 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.696 -1.796 19817 4176 1 13 . 1 1 107 107 ASN H H 107 8.000 8.000 8.296 -0.296 19817 4177 1 13 . 1 1 108 108 ALA N N 108 121.600 121.600 120.224 1.376 19817 4178 1 13 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.180 -0.110 19817 4179 1 13 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.227 0.073 19817 4180 1 13 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.764 0.336 19817 4181 1 13 . 1 1 108 108 ALA H H 108 7.810 7.810 7.667 0.143 19817 4182 1 13 . 1 1 109 109 ASP N N 109 118.480 118.480 117.491 0.989 19817 4183 1 13 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.608 0.092 19817 4184 1 13 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.610 -0.410 19817 4185 1 13 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.281 -0.281 19817 4186 1 13 . 1 1 109 109 ASP H H 109 8.520 8.520 8.134 0.386 19817 4187 1 13 . 1 1 110 110 GLY N N 110 112.250 112.250 107.456 4.794 19817 4188 1 13 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.181 -0.180 19817 4189 1 13 . 1 1 110 110 GLY H H 110 10.400 10.400 9.056 1.344 19817 4190 1 13 . 1 1 111 111 TYR N N 111 115.590 115.590 119.123 -3.533 19817 4191 1 13 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.501 -0.331 19817 4192 1 13 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.969 -0.869 19817 4193 1 13 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.925 1.175 19817 4194 1 13 . 1 1 111 111 TYR H H 111 8.000 8.000 8.241 -0.241 19817 4195 1 13 . 1 1 112 112 ILE N N 112 125.560 125.560 123.983 1.577 19817 4196 1 13 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.252 0.508 19817 4197 1 13 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.373 -0.774 19817 4198 1 13 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.369 0.631 19817 4199 1 13 . 1 1 112 112 ILE H H 112 9.830 9.830 9.010 0.820 19817 4200 1 13 . 1 1 113 113 ASP N N 113 128.350 128.350 128.169 0.181 19817 4201 1 13 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.229 -0.269 19817 4202 1 13 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.224 -1.224 19817 4203 1 13 . 1 1 113 113 ASP CB C 113 42.200 42.200 42.087 0.112 19817 4204 1 13 . 1 1 113 113 ASP H H 113 9.030 9.030 9.437 -0.407 19817 4205 1 13 . 1 1 114 114 LEU N N 114 118.300 118.300 124.415 -6.115 19817 4206 1 13 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.053 -0.073 19817 4207 1 13 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.633 0.167 19817 4208 1 13 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.349 0.251 19817 4209 1 13 . 1 1 114 114 LEU H H 114 8.530 8.530 8.601 -0.071 19817 4210 1 13 . 1 1 115 115 ASP N N 115 118.300 118.300 117.567 0.733 19817 4211 1 13 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.327 0.043 19817 4212 1 13 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.122 -0.122 19817 4213 1 13 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.123 0.517 19817 4214 1 13 . 1 1 115 115 ASP H H 115 7.920 7.920 8.853 -0.933 19817 4215 1 13 . 1 1 116 116 GLU N N 116 121.400 121.400 120.374 1.026 19817 4216 1 13 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.053 0.577 19817 4217 1 13 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.349 -0.849 19817 4218 1 13 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.422 -0.022 19817 4219 1 13 . 1 1 116 116 GLU H H 116 8.670 8.670 7.447 1.223 19817 4220 1 13 . 1 1 117 117 LEU N N 117 121.200 121.200 120.212 0.988 19817 4221 1 13 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.080 -0.090 19817 4222 1 13 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.518 -0.058 19817 4223 1 13 . 1 1 117 117 LEU CB C 117 42.050 42.050 41.865 0.185 19817 4224 1 13 . 1 1 117 117 LEU H H 117 8.670 8.670 8.359 0.311 19817 4225 1 13 . 1 1 118 118 LYS N N 118 118.800 118.800 119.552 -0.752 19817 4226 1 13 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.885 -0.065 19817 4227 1 13 . 1 1 118 118 LYS CA C 118 61.300 61.300 60.050 1.250 19817 4228 1 13 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.169 0.331 19817 4229 1 13 . 1 1 118 118 LYS H H 118 8.610 8.610 7.735 0.875 19817 4230 1 13 . 1 1 119 119 ILE N N 119 119.400 119.400 120.046 -0.646 19817 4231 1 13 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.611 0.199 19817 4232 1 13 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.975 0.125 19817 4233 1 13 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.765 0.435 19817 4234 1 13 . 1 1 119 119 ILE H H 119 8.180 8.180 7.794 0.386 19817 4235 1 13 . 1 1 120 120 MET N N 120 119.340 119.340 118.868 0.472 19817 4236 1 13 . 1 1 120 120 MET HA H 120 3.360 3.360 3.977 -0.617 19817 4237 1 13 . 1 1 120 120 MET CA C 120 57.100 57.100 59.389 -2.289 19817 4238 1 13 . 1 1 120 120 MET CB C 120 31.600 31.600 32.426 -0.826 19817 4239 1 13 . 1 1 120 120 MET H H 120 7.500 7.500 7.657 -0.157 19817 4240 1 13 . 1 1 121 121 LEU N N 121 117.920 117.920 120.689 -2.769 19817 4241 1 13 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.303 -0.273 19817 4242 1 13 . 1 1 121 121 LEU CA C 121 57.600 57.600 56.646 0.954 19817 4243 1 13 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.273 1.427 19817 4244 1 13 . 1 1 121 121 LEU H H 121 8.520 8.520 8.645 -0.125 19817 4245 1 13 . 1 1 122 122 GLN N N 122 120.780 120.780 118.311 2.469 19817 4246 1 13 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.984 0.126 19817 4247 1 13 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.142 0.658 19817 4248 1 13 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.082 -0.082 19817 4249 1 13 . 1 1 122 122 GLN H H 122 8.810 8.810 8.263 0.547 19817 4250 1 13 . 1 1 123 123 ALA N N 123 121.220 121.220 120.115 1.105 19817 4251 1 13 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.152 0.148 19817 4252 1 13 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.385 -0.784 19817 4253 1 13 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.725 -0.225 19817 4254 1 13 . 1 1 123 123 ALA H H 123 7.580 7.580 7.737 -0.157 19817 4255 1 13 . 1 1 124 124 THR N N 124 106.720 106.720 109.869 -3.149 19817 4256 1 13 . 1 1 124 124 THR HA H 124 4.050 4.050 4.177 -0.127 19817 4257 1 13 . 1 1 124 124 THR CA C 124 64.200 64.200 63.780 0.420 19817 4258 1 13 . 1 1 124 124 THR CB C 124 71.300 71.300 69.846 1.454 19817 4259 1 13 . 1 1 124 124 THR H H 124 7.490 7.490 7.802 -0.312 19817 4260 1 13 . 1 1 125 125 GLY N N 125 108.350 108.350 110.396 -2.046 19817 4261 1 13 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.976 0.624 19817 4262 1 13 . 1 1 125 125 GLY H H 125 7.680 7.680 8.212 -0.532 19817 4263 1 13 . 1 1 126 126 GLU N N 126 120.100 120.100 122.253 -2.153 19817 4264 1 13 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.323 -0.043 19817 4265 1 13 . 1 1 126 126 GLU CA C 126 55.200 55.200 57.167 -1.967 19817 4266 1 13 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.139 0.862 19817 4267 1 13 . 1 1 126 126 GLU H H 126 7.500 7.500 8.436 -0.936 19817 4268 1 13 . 1 1 127 127 THR N N 127 119.830 119.830 117.196 2.634 19817 4269 1 13 . 1 1 127 127 THR HA H 127 4.170 4.170 4.500 -0.330 19817 4270 1 13 . 1 1 127 127 THR CA C 127 63.700 63.700 61.713 1.987 19817 4271 1 13 . 1 1 127 127 THR CB C 127 68.800 68.800 69.469 -0.669 19817 4272 1 13 . 1 1 127 127 THR H H 127 8.650 8.650 8.284 0.366 19817 4273 1 13 . 1 1 128 128 ILE N N 128 128.630 128.630 122.075 6.555 19817 4274 1 13 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.585 0.055 19817 4275 1 13 . 1 1 128 128 ILE CA C 128 57.700 57.700 58.577 -0.877 19817 4276 1 13 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.792 -1.592 19817 4277 1 13 . 1 1 128 128 ILE H H 128 8.370 8.370 8.349 0.021 19817 4278 1 13 . 1 1 129 129 THR N N 129 119.830 119.830 115.418 4.412 19817 4279 1 13 . 1 1 129 129 THR HA H 129 4.750 4.750 4.386 0.364 19817 4280 1 13 . 1 1 129 129 THR CA C 129 59.700 59.700 60.952 -1.252 19817 4281 1 13 . 1 1 129 129 THR CB C 129 72.300 72.300 69.491 2.809 19817 4282 1 13 . 1 1 129 129 THR H H 129 9.680 9.680 8.512 1.168 19817 4283 1 13 . 1 1 130 130 GLU N N 130 119.760 119.760 119.143 0.617 19817 4284 1 13 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.314 -0.284 19817 4285 1 13 . 1 1 130 130 GLU CA C 130 59.800 59.800 57.510 2.290 19817 4286 1 13 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.934 0.166 19817 4287 1 13 . 1 1 130 130 GLU H H 130 8.920 8.920 8.676 0.244 19817 4288 1 13 . 1 1 131 131 ASP N N 131 117.750 117.750 116.548 1.202 19817 4289 1 13 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.665 -0.285 19817 4290 1 13 . 1 1 131 131 ASP CA C 131 57.300 57.300 55.789 1.511 19817 4291 1 13 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.242 0.558 19817 4292 1 13 . 1 1 131 131 ASP H H 131 7.830 7.830 7.970 -0.140 19817 4293 1 13 . 1 1 132 132 ASP N N 132 119.880 119.880 121.437 -1.557 19817 4294 1 13 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.368 -0.148 19817 4295 1 13 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.347 0.853 19817 4296 1 13 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.974 1.126 19817 4297 1 13 . 1 1 132 132 ASP H H 132 7.570 7.570 8.390 -0.820 19817 4298 1 13 . 1 1 133 133 ILE N N 133 116.580 116.580 118.772 -2.192 19817 4299 1 13 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.711 -0.371 19817 4300 1 13 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.525 -0.025 19817 4301 1 13 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.774 0.926 19817 4302 1 13 . 1 1 133 133 ILE H H 133 7.180 7.180 7.688 -0.508 19817 4303 1 13 . 1 1 134 134 GLU N N 134 117.740 117.740 119.679 -1.939 19817 4304 1 13 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.982 -0.092 19817 4305 1 13 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.862 -0.262 19817 4306 1 13 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.031 1.069 19817 4307 1 13 . 1 1 134 134 GLU H H 134 8.150 8.150 7.804 0.346 19817 4308 1 13 . 1 1 135 135 GLU N N 135 116.300 116.300 121.067 -4.767 19817 4309 1 13 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.079 0.141 19817 4310 1 13 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.260 -0.360 19817 4311 1 13 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.235 0.065 19817 4312 1 13 . 1 1 135 135 GLU H H 135 8.430 8.430 8.100 0.330 19817 4313 1 13 . 1 1 136 136 LEU N N 136 120.700 120.700 121.832 -1.132 19817 4314 1 13 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.286 -0.026 19817 4315 1 13 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.959 -0.559 19817 4316 1 13 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.474 0.226 19817 4317 1 13 . 1 1 136 136 LEU H H 136 8.100 8.100 7.797 0.303 19817 4318 1 13 . 1 1 137 137 MET N N 137 117.930 117.930 118.753 -0.823 19817 4319 1 13 . 1 1 137 137 MET HA H 137 4.290 4.290 4.203 0.087 19817 4320 1 13 . 1 1 137 137 MET CA C 137 57.700 57.700 59.764 -2.064 19817 4321 1 13 . 1 1 137 137 MET CB C 137 30.600 30.600 32.374 -1.774 19817 4322 1 13 . 1 1 137 137 MET H H 137 8.180 8.180 8.686 -0.506 19817 4323 1 13 . 1 1 138 138 LYS N N 138 117.370 117.370 119.504 -2.134 19817 4324 1 13 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.966 0.104 19817 4325 1 13 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.209 -0.209 19817 4326 1 13 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.092 0.508 19817 4327 1 13 . 1 1 138 138 LYS H H 138 8.060 8.060 8.622 -0.562 19817 4328 1 13 . 1 1 139 139 ASP N N 139 117.330 117.330 117.488 -0.158 19817 4329 1 13 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.349 0.031 19817 4330 1 13 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.201 0.499 19817 4331 1 13 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.899 2.301 19817 4332 1 13 . 1 1 139 139 ASP H H 139 7.650 7.650 7.761 -0.111 19817 4333 1 13 . 1 1 140 140 GLY N N 140 101.850 101.850 103.457 -1.607 19817 4334 1 13 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.730 2.470 19817 4335 1 13 . 1 1 140 140 GLY H H 140 7.850 7.850 7.135 0.715 19817 4336 1 13 . 1 1 141 141 ASP N N 141 120.420 120.420 122.788 -2.368 19817 4337 1 13 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.718 -0.148 19817 4338 1 13 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.619 -1.419 19817 4339 1 13 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.260 -1.760 19817 4340 1 13 . 1 1 141 141 ASP H H 141 8.500 8.500 8.447 0.053 19817 4341 1 13 . 1 1 142 142 LYS N N 142 125.890 125.890 126.133 -0.243 19817 4342 1 13 . 1 1 142 142 LYS HA H 142 4.150 4.150 3.998 0.152 19817 4343 1 13 . 1 1 142 142 LYS CA C 142 57.900 57.900 59.014 -1.115 19817 4344 1 13 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.523 0.477 19817 4345 1 13 . 1 1 142 142 LYS H H 142 7.740 7.740 8.509 -0.769 19817 4346 1 13 . 1 1 143 143 ASN N N 143 113.610 113.610 114.370 -0.760 19817 4347 1 13 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.856 -0.056 19817 4348 1 13 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.681 -0.981 19817 4349 1 13 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.267 -2.067 19817 4350 1 13 . 1 1 143 143 ASN H H 143 8.120 8.120 7.983 0.137 19817 4351 1 13 . 1 1 144 144 ASN N N 144 115.900 115.900 116.765 -0.865 19817 4352 1 13 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.471 0.029 19817 4353 1 13 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.212 0.888 19817 4354 1 13 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.730 0.070 19817 4355 1 13 . 1 1 144 144 ASN H H 144 7.720 7.720 8.192 -0.472 19817 4356 1 13 . 1 1 145 145 ASP N N 145 118.570 118.570 117.217 1.353 19817 4357 1 13 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.704 0.006 19817 4358 1 13 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.076 -0.076 19817 4359 1 13 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.628 0.372 19817 4360 1 13 . 1 1 145 145 ASP H H 145 8.680 8.680 8.733 -0.053 19817 4361 1 13 . 1 1 146 146 GLY N N 146 112.940 112.940 107.108 5.832 19817 4362 1 13 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.139 0.561 19817 4363 1 13 . 1 1 146 146 GLY H H 146 10.320 10.320 8.364 1.956 19817 4364 1 13 . 1 1 147 147 ARG N N 147 115.440 115.440 120.144 -4.704 19817 4365 1 13 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.501 -0.591 19817 4366 1 13 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.608 -0.607 19817 4367 1 13 . 1 1 147 147 ARG CB C 147 34.400 34.400 34.047 0.353 19817 4368 1 13 . 1 1 147 147 ARG H H 147 7.690 7.690 8.510 -0.820 19817 4369 1 13 . 1 1 148 148 ILE N N 148 126.090 126.090 125.252 0.838 19817 4370 1 13 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.957 0.093 19817 4371 1 13 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.888 -0.288 19817 4372 1 13 . 1 1 148 148 ILE CB C 148 40.000 40.000 38.996 1.004 19817 4373 1 13 . 1 1 148 148 ILE H H 148 9.430 9.430 9.270 0.160 19817 4374 1 13 . 1 1 149 149 ASP N N 149 129.170 129.170 129.063 0.107 19817 4375 1 13 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.035 1.125 19817 4376 1 13 . 1 1 149 149 ASP CA C 149 52.500 52.500 54.216 -1.716 19817 4377 1 13 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.492 -1.592 19817 4378 1 13 . 1 1 149 149 ASP H H 149 9.390 9.390 9.428 -0.038 19817 4379 1 13 . 1 1 150 150 TYR N N 150 118.600 118.600 123.969 -5.369 19817 4380 1 13 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.870 -0.490 19817 4381 1 13 . 1 1 150 150 TYR CA C 150 62.200 62.200 60.609 1.591 19817 4382 1 13 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.067 0.133 19817 4383 1 13 . 1 1 150 150 TYR H H 150 8.420 8.420 8.675 -0.255 19817 4384 1 13 . 1 1 151 151 ASP N N 151 118.060 118.060 118.292 -0.232 19817 4385 1 13 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.159 -0.079 19817 4386 1 13 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.762 0.138 19817 4387 1 13 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.301 0.299 19817 4388 1 13 . 1 1 151 151 ASP H H 151 7.740 7.740 8.987 -1.247 19817 4389 1 13 . 1 1 152 152 GLU N N 152 120.480 120.480 120.554 -0.074 19817 4390 1 13 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.107 -0.077 19817 4391 1 13 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.972 -0.272 19817 4392 1 13 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.750 -0.050 19817 4393 1 13 . 1 1 152 152 GLU H H 152 8.880 8.880 7.450 1.430 19817 4394 1 13 . 1 1 153 153 PHE N N 153 124.990 124.990 121.320 3.670 19817 4395 1 13 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.573 -0.573 19817 4396 1 13 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.532 0.268 19817 4397 1 13 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.673 0.127 19817 4398 1 13 . 1 1 153 153 PHE H H 153 9.280 9.280 8.528 0.752 19817 4399 1 13 . 1 1 154 154 LEU N N 154 117.780 117.780 118.311 -0.531 19817 4400 1 13 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.723 -0.073 19817 4401 1 13 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.582 0.618 19817 4402 1 13 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.021 0.379 19817 4403 1 13 . 1 1 154 154 LEU H H 154 7.880 7.880 8.658 -0.778 19817 4404 1 13 . 1 1 155 155 GLU N N 155 116.556 116.556 119.838 -3.282 19817 4405 1 13 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.879 0.171 19817 4406 1 13 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.339 -0.439 19817 4407 1 13 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.945 0.555 19817 4408 1 13 . 1 1 155 155 GLU H H 155 6.910 6.910 7.809 -0.899 19817 4409 1 13 . 1 1 156 156 PHE N N 156 121.800 121.800 116.328 5.472 19817 4410 1 13 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.125 -0.005 19817 4411 1 13 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.088 -2.488 19817 4412 1 13 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.577 2.323 19817 4413 1 13 . 1 1 156 156 PHE H H 156 8.610 8.610 7.419 1.191 19817 4414 1 13 . 1 1 157 157 MET N N 157 111.800 111.800 116.001 -4.201 19817 4415 1 13 . 1 1 157 157 MET HA H 157 4.360 4.360 4.149 0.211 19817 4416 1 13 . 1 1 157 157 MET CA C 157 53.300 53.300 57.581 -4.281 19817 4417 1 13 . 1 1 157 157 MET CB C 157 32.500 32.500 32.904 -0.404 19817 4418 1 13 . 1 1 157 157 MET H H 157 7.490 7.490 7.357 0.133 19817 4419 1 13 . 1 1 158 158 LYS N N 158 121.970 121.970 120.317 1.653 19817 4420 1 13 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.079 -0.129 19817 4421 1 13 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.496 0.804 19817 4422 1 13 . 1 1 158 158 LYS CB C 158 32.400 32.400 33.034 -0.634 19817 4423 1 13 . 1 1 158 158 LYS H H 158 7.110 7.110 8.044 -0.934 19817 4424 1 13 . 1 1 159 159 ASP N N 159 116.800 116.800 119.873 -3.073 19817 4425 1 13 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.674 -0.234 19817 4426 1 13 . 1 1 159 159 ASP CA C 159 54.900 54.900 55.394 -0.494 19817 4427 1 13 . 1 1 159 159 ASP CB C 159 40.400 40.400 41.561 -1.161 19817 4428 1 13 . 1 1 159 159 ASP H H 159 8.470 8.470 7.705 0.765 19817 4429 1 13 . 1 1 160 160 VAL N N 160 119.800 119.800 119.106 0.694 19817 4430 1 13 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.444 -0.654 19817 4431 1 13 . 1 1 160 160 VAL CA C 160 63.300 63.300 60.260 3.041 19817 4432 1 13 . 1 1 160 160 VAL CB C 160 32.100 32.100 32.775 -0.675 19817 4433 1 13 . 1 1 160 160 VAL H H 160 7.270 7.270 8.022 -0.752 19817 4434 1 14 . 1 1 91 91 GLY N N 91 123.830 123.830 110.041 13.789 19817 4435 1 14 . 1 1 91 91 GLY CA C 91 45.000 45.000 44.727 0.273 19817 4436 1 14 . 1 1 91 91 GLY H H 91 6.020 6.020 8.489 -2.469 19817 4437 1 14 . 1 1 92 92 LYS N N 92 121.100 121.100 119.546 1.554 19817 4438 1 14 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.180 0.250 19817 4439 1 14 . 1 1 92 92 LYS CA C 92 56.000 56.000 58.162 -2.162 19817 4440 1 14 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.214 0.586 19817 4441 1 14 . 1 1 92 92 LYS H H 92 8.610 8.610 9.248 -0.638 19817 4442 1 14 . 1 1 93 93 SER N N 93 117.190 117.190 112.583 4.607 19817 4443 1 14 . 1 1 93 93 SER HA H 93 4.470 4.470 4.780 -0.310 19817 4444 1 14 . 1 1 93 93 SER CA C 93 58.100 58.100 57.040 1.060 19817 4445 1 14 . 1 1 93 93 SER CB C 93 65.000 65.000 65.892 -0.892 19817 4446 1 14 . 1 1 93 93 SER H H 93 8.760 8.760 7.784 0.976 19817 4447 1 14 . 1 1 94 94 GLU N N 94 122.350 122.350 122.593 -0.243 19817 4448 1 14 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.063 -0.063 19817 4449 1 14 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.588 0.412 19817 4450 1 14 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.569 -0.469 19817 4451 1 14 . 1 1 94 94 GLU H H 94 8.890 8.890 8.833 0.057 19817 4452 1 14 . 1 1 95 95 GLU N N 95 119.160 119.160 119.009 0.151 19817 4453 1 14 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.316 -0.226 19817 4454 1 14 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.206 0.494 19817 4455 1 14 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.667 0.533 19817 4456 1 14 . 1 1 95 95 GLU H H 95 8.610 8.610 9.012 -0.402 19817 4457 1 14 . 1 1 96 96 GLU N N 96 120.300 120.300 121.079 -0.779 19817 4458 1 14 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.122 0.168 19817 4459 1 14 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.101 -0.101 19817 4460 1 14 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.413 0.787 19817 4461 1 14 . 1 1 96 96 GLU H H 96 7.930 7.930 7.746 0.184 19817 4462 1 14 . 1 1 97 97 LEU N N 97 119.340 119.340 118.613 0.727 19817 4463 1 14 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.311 -0.041 19817 4464 1 14 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.517 0.982 19817 4465 1 14 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.725 0.175 19817 4466 1 14 . 1 1 97 97 LEU H H 97 8.520 8.520 7.726 0.794 19817 4467 1 14 . 1 1 98 98 SER N N 98 115.800 115.800 115.311 0.489 19817 4468 1 14 . 1 1 98 98 SER HA H 98 4.280 4.280 3.941 0.339 19817 4469 1 14 . 1 1 98 98 SER CA C 98 62.300 62.300 61.867 0.433 19817 4470 1 14 . 1 1 98 98 SER CB C 98 62.500 62.500 61.870 0.630 19817 4471 1 14 . 1 1 98 98 SER H H 98 8.700 8.700 8.403 0.297 19817 4472 1 14 . 1 1 99 99 ASP N N 99 121.600 121.600 122.806 -1.206 19817 4473 1 14 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.422 0.278 19817 4474 1 14 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.340 1.160 19817 4475 1 14 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.890 0.510 19817 4476 1 14 . 1 1 99 99 ASP H H 99 7.510 7.510 7.789 -0.279 19817 4477 1 14 . 1 1 100 100 LEU N N 100 117.900 117.900 118.910 -1.010 19817 4478 1 14 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.217 -0.067 19817 4479 1 14 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.340 0.960 19817 4480 1 14 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.039 -0.439 19817 4481 1 14 . 1 1 100 100 LEU H H 100 8.170 8.170 7.391 0.779 19817 4482 1 14 . 1 1 101 101 PHE N N 101 120.490 120.490 120.510 -0.020 19817 4483 1 14 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.841 1.429 19817 4484 1 14 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.350 0.850 19817 4485 1 14 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.770 0.430 19817 4486 1 14 . 1 1 101 101 PHE H H 101 8.760 8.760 8.678 0.082 19817 4487 1 14 . 1 1 102 102 ARG N N 102 115.520 115.520 118.662 -3.142 19817 4488 1 14 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.885 0.085 19817 4489 1 14 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.522 -0.322 19817 4490 1 14 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.133 0.267 19817 4491 1 14 . 1 1 102 102 ARG H H 102 7.470 7.470 8.514 -1.044 19817 4492 1 14 . 1 1 103 103 MET N N 103 114.150 114.150 116.389 -2.239 19817 4493 1 14 . 1 1 103 103 MET HA H 103 4.370 4.370 4.100 0.270 19817 4494 1 14 . 1 1 103 103 MET CA C 103 55.900 55.900 58.327 -2.427 19817 4495 1 14 . 1 1 103 103 MET CB C 103 34.300 34.300 32.758 1.542 19817 4496 1 14 . 1 1 103 103 MET H H 103 7.590 7.590 7.443 0.147 19817 4497 1 14 . 1 1 104 104 PHE N N 104 115.060 115.060 116.485 -1.425 19817 4498 1 14 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.292 -0.002 19817 4499 1 14 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.237 0.163 19817 4500 1 14 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.238 2.462 19817 4501 1 14 . 1 1 104 104 PHE H H 104 7.380 7.380 7.251 0.129 19817 4502 1 14 . 1 1 105 105 ASP N N 105 116.710 116.710 118.298 -1.588 19817 4503 1 14 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.771 -0.351 19817 4504 1 14 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.800 -0.400 19817 4505 1 14 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.710 -0.710 19817 4506 1 14 . 1 1 105 105 ASP H H 105 7.270 7.270 8.167 -0.897 19817 4507 1 14 . 1 1 106 106 LYS N N 106 124.270 124.270 126.453 -2.183 19817 4508 1 14 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.024 0.006 19817 4509 1 14 . 1 1 106 106 LYS C C 106 113.428 113.428 177.322 -63.894 19817 4510 1 14 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.520 -0.320 19817 4511 1 14 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.454 0.446 19817 4512 1 14 . 1 1 106 106 LYS H H 106 7.510 7.510 8.115 -0.605 19817 4513 1 14 . 1 1 107 107 ASN N N 107 113.600 113.600 114.426 -0.826 19817 4514 1 14 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.770 -0.040 19817 4515 1 14 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.783 -1.083 19817 4516 1 14 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.673 -1.773 19817 4517 1 14 . 1 1 107 107 ASN H H 107 8.000 8.000 7.960 0.040 19817 4518 1 14 . 1 1 108 108 ALA N N 108 121.600 121.600 120.186 1.414 19817 4519 1 14 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.124 -0.054 19817 4520 1 14 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.134 0.166 19817 4521 1 14 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.663 0.437 19817 4522 1 14 . 1 1 108 108 ALA H H 108 7.810 7.810 7.550 0.260 19817 4523 1 14 . 1 1 109 109 ASP N N 109 118.480 118.480 118.557 -0.077 19817 4524 1 14 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.597 0.103 19817 4525 1 14 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.529 -0.329 19817 4526 1 14 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.241 -0.241 19817 4527 1 14 . 1 1 109 109 ASP H H 109 8.520 8.520 8.098 0.422 19817 4528 1 14 . 1 1 110 110 GLY N N 110 112.250 112.250 106.712 5.538 19817 4529 1 14 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.209 -0.208 19817 4530 1 14 . 1 1 110 110 GLY H H 110 10.400 10.400 8.931 1.469 19817 4531 1 14 . 1 1 111 111 TYR N N 111 115.590 115.590 118.379 -2.789 19817 4532 1 14 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.673 -0.503 19817 4533 1 14 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.594 -0.494 19817 4534 1 14 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.970 1.130 19817 4535 1 14 . 1 1 111 111 TYR H H 111 8.000 8.000 8.504 -0.504 19817 4536 1 14 . 1 1 112 112 ILE N N 112 125.560 125.560 122.775 2.785 19817 4537 1 14 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.538 0.222 19817 4538 1 14 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.613 -0.013 19817 4539 1 14 . 1 1 112 112 ILE CB C 112 39.000 39.000 39.370 -0.370 19817 4540 1 14 . 1 1 112 112 ILE H H 112 9.830 9.830 9.314 0.516 19817 4541 1 14 . 1 1 113 113 ASP N N 113 128.350 128.350 125.822 2.528 19817 4542 1 14 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.061 -0.101 19817 4543 1 14 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.283 -0.283 19817 4544 1 14 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.052 -1.852 19817 4545 1 14 . 1 1 113 113 ASP H H 113 9.030 9.030 9.059 -0.029 19817 4546 1 14 . 1 1 114 114 LEU N N 114 118.300 118.300 121.110 -2.810 19817 4547 1 14 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.094 -0.114 19817 4548 1 14 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.216 0.584 19817 4549 1 14 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.957 0.643 19817 4550 1 14 . 1 1 114 114 LEU H H 114 8.530 8.530 8.636 -0.106 19817 4551 1 14 . 1 1 115 115 ASP N N 115 118.300 118.300 118.820 -0.520 19817 4552 1 14 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.324 0.046 19817 4553 1 14 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.033 -0.034 19817 4554 1 14 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.843 -0.203 19817 4555 1 14 . 1 1 115 115 ASP H H 115 7.920 7.920 9.019 -1.099 19817 4556 1 14 . 1 1 116 116 GLU N N 116 121.400 121.400 120.000 1.400 19817 4557 1 14 . 1 1 116 116 GLU HA H 116 4.630 4.630 3.957 0.673 19817 4558 1 14 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.350 -0.850 19817 4559 1 14 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.613 -0.213 19817 4560 1 14 . 1 1 116 116 GLU H H 116 8.670 8.670 7.757 0.913 19817 4561 1 14 . 1 1 117 117 LEU N N 117 121.200 121.200 121.342 -0.142 19817 4562 1 14 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.056 -0.066 19817 4563 1 14 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.515 0.945 19817 4564 1 14 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.255 -0.205 19817 4565 1 14 . 1 1 117 117 LEU H H 117 8.670 8.670 8.527 0.143 19817 4566 1 14 . 1 1 118 118 LYS N N 118 118.800 118.800 119.981 -1.181 19817 4567 1 14 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.906 -0.086 19817 4568 1 14 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.795 1.505 19817 4569 1 14 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.299 0.201 19817 4570 1 14 . 1 1 118 118 LYS H H 118 8.610 8.610 8.146 0.464 19817 4571 1 14 . 1 1 119 119 ILE N N 119 119.400 119.400 119.203 0.197 19817 4572 1 14 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.640 0.170 19817 4573 1 14 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.528 -0.428 19817 4574 1 14 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.733 0.467 19817 4575 1 14 . 1 1 119 119 ILE H H 119 8.180 8.180 8.034 0.146 19817 4576 1 14 . 1 1 120 120 MET N N 120 119.340 119.340 118.285 1.055 19817 4577 1 14 . 1 1 120 120 MET HA H 120 3.360 3.360 3.974 -0.614 19817 4578 1 14 . 1 1 120 120 MET CA C 120 57.100 57.100 58.991 -1.891 19817 4579 1 14 . 1 1 120 120 MET CB C 120 31.600 31.600 32.071 -0.470 19817 4580 1 14 . 1 1 120 120 MET H H 120 7.500 7.500 7.163 0.337 19817 4581 1 14 . 1 1 121 121 LEU N N 121 117.920 117.920 119.774 -1.854 19817 4582 1 14 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.226 -0.196 19817 4583 1 14 . 1 1 121 121 LEU CA C 121 57.600 57.600 56.264 1.336 19817 4584 1 14 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.178 1.522 19817 4585 1 14 . 1 1 121 121 LEU H H 121 8.520 8.520 7.899 0.621 19817 4586 1 14 . 1 1 122 122 GLN N N 122 120.780 120.780 120.531 0.249 19817 4587 1 14 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.000 0.110 19817 4588 1 14 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.605 0.195 19817 4589 1 14 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.265 -0.265 19817 4590 1 14 . 1 1 122 122 GLN H H 122 8.810 8.810 8.328 0.482 19817 4591 1 14 . 1 1 123 123 ALA N N 123 121.220 121.220 120.021 1.199 19817 4592 1 14 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.166 0.134 19817 4593 1 14 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.726 -1.126 19817 4594 1 14 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.410 0.090 19817 4595 1 14 . 1 1 123 123 ALA H H 123 7.580 7.580 7.812 -0.232 19817 4596 1 14 . 1 1 124 124 THR N N 124 106.720 106.720 108.307 -1.587 19817 4597 1 14 . 1 1 124 124 THR HA H 124 4.050 4.050 4.202 -0.152 19817 4598 1 14 . 1 1 124 124 THR CA C 124 64.200 64.200 62.564 1.636 19817 4599 1 14 . 1 1 124 124 THR CB C 124 71.300 71.300 69.398 1.902 19817 4600 1 14 . 1 1 124 124 THR H H 124 7.490 7.490 7.562 -0.072 19817 4601 1 14 . 1 1 125 125 GLY N N 125 108.350 108.350 110.318 -1.968 19817 4602 1 14 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.674 0.926 19817 4603 1 14 . 1 1 125 125 GLY H H 125 7.680 7.680 7.459 0.221 19817 4604 1 14 . 1 1 126 126 GLU N N 126 120.100 120.100 122.690 -2.590 19817 4605 1 14 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.358 -0.078 19817 4606 1 14 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.115 -0.915 19817 4607 1 14 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.088 0.912 19817 4608 1 14 . 1 1 126 126 GLU H H 126 7.500 7.500 8.587 -1.087 19817 4609 1 14 . 1 1 127 127 THR N N 127 119.830 119.830 114.419 5.411 19817 4610 1 14 . 1 1 127 127 THR HA H 127 4.170 4.170 4.352 -0.182 19817 4611 1 14 . 1 1 127 127 THR CA C 127 63.700 63.700 61.890 1.810 19817 4612 1 14 . 1 1 127 127 THR CB C 127 68.800 68.800 69.400 -0.600 19817 4613 1 14 . 1 1 127 127 THR H H 127 8.650 8.650 8.288 0.362 19817 4614 1 14 . 1 1 128 128 ILE N N 128 128.630 128.630 122.578 6.052 19817 4615 1 14 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.370 0.270 19817 4616 1 14 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.025 -1.325 19817 4617 1 14 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.148 -1.948 19817 4618 1 14 . 1 1 128 128 ILE H H 128 8.370 8.370 8.164 0.206 19817 4619 1 14 . 1 1 129 129 THR N N 129 119.830 119.830 115.784 4.046 19817 4620 1 14 . 1 1 129 129 THR HA H 129 4.750 4.750 4.365 0.385 19817 4621 1 14 . 1 1 129 129 THR CA C 129 59.700 59.700 60.979 -1.279 19817 4622 1 14 . 1 1 129 129 THR CB C 129 72.300 72.300 70.237 2.062 19817 4623 1 14 . 1 1 129 129 THR H H 129 9.680 9.680 8.179 1.501 19817 4624 1 14 . 1 1 130 130 GLU N N 130 119.760 119.760 121.042 -1.282 19817 4625 1 14 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.037 -0.007 19817 4626 1 14 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.675 0.125 19817 4627 1 14 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.068 0.032 19817 4628 1 14 . 1 1 130 130 GLU H H 130 8.920 8.920 9.000 -0.080 19817 4629 1 14 . 1 1 131 131 ASP N N 131 117.750 117.750 118.957 -1.207 19817 4630 1 14 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.389 -0.009 19817 4631 1 14 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.798 -0.498 19817 4632 1 14 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.078 0.722 19817 4633 1 14 . 1 1 131 131 ASP H H 131 7.830 7.830 8.632 -0.802 19817 4634 1 14 . 1 1 132 132 ASP N N 132 119.880 119.880 120.263 -0.383 19817 4635 1 14 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.484 -0.264 19817 4636 1 14 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.079 1.121 19817 4637 1 14 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.974 1.126 19817 4638 1 14 . 1 1 132 132 ASP H H 132 7.570 7.570 7.614 -0.044 19817 4639 1 14 . 1 1 133 133 ILE N N 133 116.580 116.580 120.321 -3.741 19817 4640 1 14 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.630 -0.290 19817 4641 1 14 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.476 0.024 19817 4642 1 14 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.859 0.841 19817 4643 1 14 . 1 1 133 133 ILE H H 133 7.180 7.180 7.390 -0.210 19817 4644 1 14 . 1 1 134 134 GLU N N 134 117.740 117.740 120.869 -3.129 19817 4645 1 14 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.941 -0.051 19817 4646 1 14 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.899 -0.299 19817 4647 1 14 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.608 0.492 19817 4648 1 14 . 1 1 134 134 GLU H H 134 8.150 8.150 8.793 -0.643 19817 4649 1 14 . 1 1 135 135 GLU N N 135 116.300 116.300 120.327 -4.027 19817 4650 1 14 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.085 0.135 19817 4651 1 14 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.158 -0.258 19817 4652 1 14 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.405 -0.105 19817 4653 1 14 . 1 1 135 135 GLU H H 135 8.430 8.430 8.228 0.202 19817 4654 1 14 . 1 1 136 136 LEU N N 136 120.700 120.700 121.268 -0.568 19817 4655 1 14 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.212 0.048 19817 4656 1 14 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.194 -0.794 19817 4657 1 14 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.126 -0.426 19817 4658 1 14 . 1 1 136 136 LEU H H 136 8.100 8.100 8.443 -0.343 19817 4659 1 14 . 1 1 137 137 MET N N 137 117.930 117.930 119.172 -1.242 19817 4660 1 14 . 1 1 137 137 MET HA H 137 4.290 4.290 4.170 0.120 19817 4661 1 14 . 1 1 137 137 MET CA C 137 57.700 57.700 59.669 -1.969 19817 4662 1 14 . 1 1 137 137 MET CB C 137 30.600 30.600 32.439 -1.839 19817 4663 1 14 . 1 1 137 137 MET H H 137 8.180 8.180 8.606 -0.426 19817 4664 1 14 . 1 1 138 138 LYS N N 138 117.370 117.370 118.682 -1.312 19817 4665 1 14 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.970 0.100 19817 4666 1 14 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.654 -0.654 19817 4667 1 14 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.030 0.570 19817 4668 1 14 . 1 1 138 138 LYS H H 138 8.060 8.060 8.361 -0.301 19817 4669 1 14 . 1 1 139 139 ASP N N 139 117.330 117.330 117.557 -0.227 19817 4670 1 14 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.437 -0.057 19817 4671 1 14 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.536 0.164 19817 4672 1 14 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.033 2.167 19817 4673 1 14 . 1 1 139 139 ASP H H 139 7.650 7.650 7.524 0.126 19817 4674 1 14 . 1 1 140 140 GLY N N 140 101.850 101.850 105.631 -3.781 19817 4675 1 14 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.545 1.655 19817 4676 1 14 . 1 1 140 140 GLY H H 140 7.850 7.850 7.376 0.474 19817 4677 1 14 . 1 1 141 141 ASP N N 141 120.420 120.420 123.454 -3.034 19817 4678 1 14 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.961 -0.391 19817 4679 1 14 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.323 -1.123 19817 4680 1 14 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.075 -0.575 19817 4681 1 14 . 1 1 141 141 ASP H H 141 8.500 8.500 8.555 -0.055 19817 4682 1 14 . 1 1 142 142 LYS N N 142 125.890 125.890 125.494 0.396 19817 4683 1 14 . 1 1 142 142 LYS HA H 142 4.150 4.150 3.990 0.160 19817 4684 1 14 . 1 1 142 142 LYS CA C 142 57.900 57.900 59.030 -1.130 19817 4685 1 14 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.455 0.545 19817 4686 1 14 . 1 1 142 142 LYS H H 142 7.740 7.740 8.294 -0.554 19817 4687 1 14 . 1 1 143 143 ASN N N 143 113.610 113.610 114.989 -1.379 19817 4688 1 14 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.833 -0.033 19817 4689 1 14 . 1 1 143 143 ASN CA C 143 51.700 51.700 51.906 -0.206 19817 4690 1 14 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.731 -1.531 19817 4691 1 14 . 1 1 143 143 ASN H H 143 8.120 8.120 7.925 0.195 19817 4692 1 14 . 1 1 144 144 ASN N N 144 115.900 115.900 117.820 -1.920 19817 4693 1 14 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.492 0.008 19817 4694 1 14 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.181 0.919 19817 4695 1 14 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.862 -0.062 19817 4696 1 14 . 1 1 144 144 ASN H H 144 7.720 7.720 7.781 -0.061 19817 4697 1 14 . 1 1 145 145 ASP N N 145 118.570 118.570 116.366 2.204 19817 4698 1 14 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.622 0.088 19817 4699 1 14 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.803 -0.803 19817 4700 1 14 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.875 0.125 19817 4701 1 14 . 1 1 145 145 ASP H H 145 8.680 8.680 8.824 -0.144 19817 4702 1 14 . 1 1 146 146 GLY N N 146 112.940 112.940 107.962 4.978 19817 4703 1 14 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.255 0.445 19817 4704 1 14 . 1 1 146 146 GLY H H 146 10.320 10.320 7.918 2.402 19817 4705 1 14 . 1 1 147 147 ARG N N 147 115.440 115.440 119.752 -4.312 19817 4706 1 14 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.639 0.271 19817 4707 1 14 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.591 -0.591 19817 4708 1 14 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.381 1.019 19817 4709 1 14 . 1 1 147 147 ARG H H 147 7.690 7.690 8.688 -0.998 19817 4710 1 14 . 1 1 148 148 ILE N N 148 126.090 126.090 124.647 1.443 19817 4711 1 14 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.829 0.221 19817 4712 1 14 . 1 1 148 148 ILE CA C 148 60.600 60.600 59.148 1.452 19817 4713 1 14 . 1 1 148 148 ILE CB C 148 40.000 40.000 36.845 3.155 19817 4714 1 14 . 1 1 148 148 ILE H H 148 9.430 9.430 8.858 0.572 19817 4715 1 14 . 1 1 149 149 ASP N N 149 129.170 129.170 129.505 -0.335 19817 4716 1 14 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.194 -0.034 19817 4717 1 14 . 1 1 149 149 ASP CA C 149 52.500 52.500 55.048 -2.548 19817 4718 1 14 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.212 -1.312 19817 4719 1 14 . 1 1 149 149 ASP H H 149 9.390 9.390 9.806 -0.416 19817 4720 1 14 . 1 1 150 150 TYR N N 150 118.600 118.600 123.599 -4.999 19817 4721 1 14 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.882 -0.502 19817 4722 1 14 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.299 -0.099 19817 4723 1 14 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.300 -0.100 19817 4724 1 14 . 1 1 150 150 TYR H H 150 8.420 8.420 8.932 -0.512 19817 4725 1 14 . 1 1 151 151 ASP N N 151 118.060 118.060 118.037 0.023 19817 4726 1 14 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.097 -0.017 19817 4727 1 14 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.126 -0.226 19817 4728 1 14 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.603 -0.003 19817 4729 1 14 . 1 1 151 151 ASP H H 151 7.740 7.740 8.925 -1.185 19817 4730 1 14 . 1 1 152 152 GLU N N 152 120.480 120.480 120.280 0.200 19817 4731 1 14 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.058 -0.028 19817 4732 1 14 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.128 -0.428 19817 4733 1 14 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.778 -0.078 19817 4734 1 14 . 1 1 152 152 GLU H H 152 8.880 8.880 8.138 0.742 19817 4735 1 14 . 1 1 153 153 PHE N N 153 124.990 124.990 121.432 3.558 19817 4736 1 14 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.615 -0.615 19817 4737 1 14 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.413 0.387 19817 4738 1 14 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.604 0.196 19817 4739 1 14 . 1 1 153 153 PHE H H 153 9.280 9.280 8.689 0.591 19817 4740 1 14 . 1 1 154 154 LEU N N 154 117.780 117.780 117.648 0.132 19817 4741 1 14 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.678 -0.028 19817 4742 1 14 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.845 0.355 19817 4743 1 14 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.939 0.461 19817 4744 1 14 . 1 1 154 154 LEU H H 154 7.880 7.880 8.687 -0.807 19817 4745 1 14 . 1 1 155 155 GLU N N 155 116.556 116.556 118.916 -2.360 19817 4746 1 14 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.963 0.087 19817 4747 1 14 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.832 0.068 19817 4748 1 14 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.678 0.822 19817 4749 1 14 . 1 1 155 155 GLU H H 155 6.910 6.910 7.709 -0.799 19817 4750 1 14 . 1 1 156 156 PHE N N 156 121.800 121.800 117.899 3.901 19817 4751 1 14 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.140 -0.020 19817 4752 1 14 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.008 -2.408 19817 4753 1 14 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.303 2.597 19817 4754 1 14 . 1 1 156 156 PHE H H 156 8.610 8.610 7.447 1.163 19817 4755 1 14 . 1 1 157 157 MET N N 157 111.800 111.800 116.115 -4.315 19817 4756 1 14 . 1 1 157 157 MET HA H 157 4.360 4.360 4.367 -0.007 19817 4757 1 14 . 1 1 157 157 MET CA C 157 53.300 53.300 56.661 -3.361 19817 4758 1 14 . 1 1 157 157 MET CB C 157 32.500 32.500 33.494 -0.994 19817 4759 1 14 . 1 1 157 157 MET H H 157 7.490 7.490 7.363 0.127 19817 4760 1 14 . 1 1 158 158 LYS N N 158 121.970 121.970 120.336 1.634 19817 4761 1 14 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.023 -0.073 19817 4762 1 14 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.889 0.411 19817 4763 1 14 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.828 -0.428 19817 4764 1 14 . 1 1 158 158 LYS H H 158 7.110 7.110 8.141 -1.031 19817 4765 1 14 . 1 1 159 159 ASP N N 159 116.800 116.800 120.113 -3.313 19817 4766 1 14 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.816 -0.376 19817 4767 1 14 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.036 0.864 19817 4768 1 14 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.480 -0.080 19817 4769 1 14 . 1 1 159 159 ASP H H 159 8.470 8.470 7.662 0.808 19817 4770 1 14 . 1 1 160 160 VAL N N 160 119.800 119.800 117.724 2.076 19817 4771 1 14 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.506 -0.716 19817 4772 1 14 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.153 2.147 19817 4773 1 14 . 1 1 160 160 VAL CB C 160 32.100 32.100 33.954 -1.854 19817 4774 1 14 . 1 1 160 160 VAL H H 160 7.270 7.270 7.586 -0.316 19817 4775 1 15 . 1 1 91 91 GLY N N 91 123.830 123.830 109.598 14.232 19817 4776 1 15 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.011 -0.011 19817 4777 1 15 . 1 1 91 91 GLY H H 91 6.020 6.020 8.159 -2.139 19817 4778 1 15 . 1 1 92 92 LYS N N 92 121.100 121.100 119.903 1.197 19817 4779 1 15 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.354 0.076 19817 4780 1 15 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.124 -0.124 19817 4781 1 15 . 1 1 92 92 LYS CB C 92 33.800 33.800 32.730 1.070 19817 4782 1 15 . 1 1 92 92 LYS H H 92 8.610 8.610 8.265 0.345 19817 4783 1 15 . 1 1 93 93 SER N N 93 117.190 117.190 117.245 -0.055 19817 4784 1 15 . 1 1 93 93 SER HA H 93 4.470 4.470 4.450 0.020 19817 4785 1 15 . 1 1 93 93 SER CA C 93 58.100 58.100 59.913 -1.813 19817 4786 1 15 . 1 1 93 93 SER CB C 93 65.000 65.000 64.127 0.872 19817 4787 1 15 . 1 1 93 93 SER H H 93 8.760 8.760 7.740 1.020 19817 4788 1 15 . 1 1 94 94 GLU N N 94 122.350 122.350 125.283 -2.933 19817 4789 1 15 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.043 -0.043 19817 4790 1 15 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.408 -0.408 19817 4791 1 15 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.335 -0.235 19817 4792 1 15 . 1 1 94 94 GLU H H 94 8.890 8.890 9.137 -0.247 19817 4793 1 15 . 1 1 95 95 GLU N N 95 119.160 119.160 117.839 1.321 19817 4794 1 15 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.072 0.018 19817 4795 1 15 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.844 -0.144 19817 4796 1 15 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.956 0.244 19817 4797 1 15 . 1 1 95 95 GLU H H 95 8.610 8.610 8.935 -0.325 19817 4798 1 15 . 1 1 96 96 GLU N N 96 120.300 120.300 119.800 0.500 19817 4799 1 15 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.177 0.113 19817 4800 1 15 . 1 1 96 96 GLU CA C 96 59.000 59.000 58.866 0.134 19817 4801 1 15 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.512 0.688 19817 4802 1 15 . 1 1 96 96 GLU H H 96 7.930 7.930 7.680 0.250 19817 4803 1 15 . 1 1 97 97 LEU N N 97 119.340 119.340 120.609 -1.269 19817 4804 1 15 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.245 0.025 19817 4805 1 15 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.131 0.369 19817 4806 1 15 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.781 0.119 19817 4807 1 15 . 1 1 97 97 LEU H H 97 8.520 8.520 7.899 0.621 19817 4808 1 15 . 1 1 98 98 SER N N 98 115.800 115.800 115.803 -0.003 19817 4809 1 15 . 1 1 98 98 SER HA H 98 4.280 4.280 4.064 0.216 19817 4810 1 15 . 1 1 98 98 SER CA C 98 62.300 62.300 62.236 0.064 19817 4811 1 15 . 1 1 98 98 SER CB C 98 62.500 62.500 62.717 -0.217 19817 4812 1 15 . 1 1 98 98 SER H H 98 8.700 8.700 8.684 0.016 19817 4813 1 15 . 1 1 99 99 ASP N N 99 121.600 121.600 123.027 -1.427 19817 4814 1 15 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.477 0.223 19817 4815 1 15 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.117 1.383 19817 4816 1 15 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.992 0.408 19817 4817 1 15 . 1 1 99 99 ASP H H 99 7.510 7.510 7.720 -0.210 19817 4818 1 15 . 1 1 100 100 LEU N N 100 117.900 117.900 119.742 -1.842 19817 4819 1 15 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.192 -0.042 19817 4820 1 15 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.750 0.550 19817 4821 1 15 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.047 -0.447 19817 4822 1 15 . 1 1 100 100 LEU H H 100 8.170 8.170 8.172 -0.002 19817 4823 1 15 . 1 1 101 101 PHE N N 101 120.490 120.490 120.094 0.396 19817 4824 1 15 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.683 1.587 19817 4825 1 15 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.518 0.682 19817 4826 1 15 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.776 0.424 19817 4827 1 15 . 1 1 101 101 PHE H H 101 8.760 8.760 8.740 0.020 19817 4828 1 15 . 1 1 102 102 ARG N N 102 115.520 115.520 117.225 -1.705 19817 4829 1 15 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.834 0.136 19817 4830 1 15 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.329 -0.129 19817 4831 1 15 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.069 0.331 19817 4832 1 15 . 1 1 102 102 ARG H H 102 7.470 7.470 7.580 -0.110 19817 4833 1 15 . 1 1 103 103 MET N N 103 114.150 114.150 116.300 -2.150 19817 4834 1 15 . 1 1 103 103 MET HA H 103 4.370 4.370 4.080 0.290 19817 4835 1 15 . 1 1 103 103 MET CA C 103 55.900 55.900 58.473 -2.573 19817 4836 1 15 . 1 1 103 103 MET CB C 103 34.300 34.300 32.703 1.597 19817 4837 1 15 . 1 1 103 103 MET H H 103 7.590 7.590 7.310 0.280 19817 4838 1 15 . 1 1 104 104 PHE N N 104 115.060 115.060 117.949 -2.889 19817 4839 1 15 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.228 0.062 19817 4840 1 15 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.574 -1.174 19817 4841 1 15 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.183 2.517 19817 4842 1 15 . 1 1 104 104 PHE H H 104 7.380 7.380 7.707 -0.327 19817 4843 1 15 . 1 1 105 105 ASP N N 105 116.710 116.710 117.574 -0.864 19817 4844 1 15 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.470 -0.050 19817 4845 1 15 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.408 -2.008 19817 4846 1 15 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.458 -2.458 19817 4847 1 15 . 1 1 105 105 ASP H H 105 7.270 7.270 7.851 -0.581 19817 4848 1 15 . 1 1 106 106 LYS N N 106 124.270 124.270 124.678 -0.408 19817 4849 1 15 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.230 -0.200 19817 4850 1 15 . 1 1 106 106 LYS C C 106 113.428 113.428 177.439 -64.011 19817 4851 1 15 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.219 0.981 19817 4852 1 15 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.481 0.419 19817 4853 1 15 . 1 1 106 106 LYS H H 106 7.510 7.510 8.602 -1.092 19817 4854 1 15 . 1 1 107 107 ASN N N 107 113.600 113.600 116.641 -3.041 19817 4855 1 15 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.779 -0.049 19817 4856 1 15 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.428 -1.728 19817 4857 1 15 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.923 -2.023 19817 4858 1 15 . 1 1 107 107 ASN H H 107 8.000 8.000 8.535 -0.535 19817 4859 1 15 . 1 1 108 108 ALA N N 108 121.600 121.600 120.264 1.336 19817 4860 1 15 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.006 0.064 19817 4861 1 15 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.265 0.035 19817 4862 1 15 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.771 0.329 19817 4863 1 15 . 1 1 108 108 ALA H H 108 7.810 7.810 7.901 -0.091 19817 4864 1 15 . 1 1 109 109 ASP N N 109 118.480 118.480 116.939 1.541 19817 4865 1 15 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.677 0.023 19817 4866 1 15 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.068 0.133 19817 4867 1 15 . 1 1 109 109 ASP CB C 109 41.000 41.000 40.969 0.031 19817 4868 1 15 . 1 1 109 109 ASP H H 109 8.520 8.520 8.549 -0.029 19817 4869 1 15 . 1 1 110 110 GLY N N 110 112.250 112.250 106.930 5.320 19817 4870 1 15 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.439 -0.439 19817 4871 1 15 . 1 1 110 110 GLY H H 110 10.400 10.400 8.174 2.226 19817 4872 1 15 . 1 1 111 111 TYR N N 111 115.590 115.590 120.326 -4.736 19817 4873 1 15 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.158 0.012 19817 4874 1 15 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.525 -1.425 19817 4875 1 15 . 1 1 111 111 TYR CB C 111 43.100 43.100 40.997 2.103 19817 4876 1 15 . 1 1 111 111 TYR H H 111 8.000 8.000 8.663 -0.663 19817 4877 1 15 . 1 1 112 112 ILE N N 112 125.560 125.560 124.606 0.954 19817 4878 1 15 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.406 0.354 19817 4879 1 15 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.488 -0.888 19817 4880 1 15 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.743 0.257 19817 4881 1 15 . 1 1 112 112 ILE H H 112 9.830 9.830 9.415 0.415 19817 4882 1 15 . 1 1 113 113 ASP N N 113 128.350 128.350 126.519 1.831 19817 4883 1 15 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.037 -0.077 19817 4884 1 15 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.338 -0.338 19817 4885 1 15 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.040 -1.840 19817 4886 1 15 . 1 1 113 113 ASP H H 113 9.030 9.030 8.688 0.342 19817 4887 1 15 . 1 1 114 114 LEU N N 114 118.300 118.300 120.711 -2.411 19817 4888 1 15 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.127 -0.147 19817 4889 1 15 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.020 0.780 19817 4890 1 15 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.759 0.841 19817 4891 1 15 . 1 1 114 114 LEU H H 114 8.530 8.530 8.761 -0.231 19817 4892 1 15 . 1 1 115 115 ASP N N 115 118.300 118.300 119.526 -1.226 19817 4893 1 15 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.288 0.082 19817 4894 1 15 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.822 0.178 19817 4895 1 15 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.852 -0.212 19817 4896 1 15 . 1 1 115 115 ASP H H 115 7.920 7.920 9.093 -1.173 19817 4897 1 15 . 1 1 116 116 GLU N N 116 121.400 121.400 120.147 1.253 19817 4898 1 15 . 1 1 116 116 GLU HA H 116 4.630 4.630 3.986 0.644 19817 4899 1 15 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.139 -0.639 19817 4900 1 15 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.517 -0.117 19817 4901 1 15 . 1 1 116 116 GLU H H 116 8.670 8.670 7.986 0.684 19817 4902 1 15 . 1 1 117 117 LEU N N 117 121.200 121.200 121.182 0.018 19817 4903 1 15 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.074 -0.084 19817 4904 1 15 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.317 0.143 19817 4905 1 15 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.136 -0.086 19817 4906 1 15 . 1 1 117 117 LEU H H 117 8.670 8.670 8.442 0.228 19817 4907 1 15 . 1 1 118 118 LYS N N 118 118.800 118.800 120.020 -1.220 19817 4908 1 15 . 1 1 118 118 LYS HA H 118 3.820 3.820 4.002 -0.182 19817 4909 1 15 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.428 1.872 19817 4910 1 15 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.961 0.539 19817 4911 1 15 . 1 1 118 118 LYS H H 118 8.610 8.610 8.340 0.270 19817 4912 1 15 . 1 1 119 119 ILE N N 119 119.400 119.400 121.242 -1.842 19817 4913 1 15 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.633 0.177 19817 4914 1 15 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.574 -0.474 19817 4915 1 15 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.700 0.500 19817 4916 1 15 . 1 1 119 119 ILE H H 119 8.180 8.180 8.685 -0.505 19817 4917 1 15 . 1 1 120 120 MET N N 120 119.340 119.340 119.012 0.328 19817 4918 1 15 . 1 1 120 120 MET HA H 120 3.360 3.360 4.032 -0.672 19817 4919 1 15 . 1 1 120 120 MET CA C 120 57.100 57.100 59.053 -1.953 19817 4920 1 15 . 1 1 120 120 MET CB C 120 31.600 31.600 32.245 -0.645 19817 4921 1 15 . 1 1 120 120 MET H H 120 7.500 7.500 7.425 0.075 19817 4922 1 15 . 1 1 121 121 LEU N N 121 117.920 117.920 118.921 -1.001 19817 4923 1 15 . 1 1 121 121 LEU HA H 121 4.030 4.030 3.918 0.112 19817 4924 1 15 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.383 0.217 19817 4925 1 15 . 1 1 121 121 LEU CB C 121 41.700 41.700 41.297 0.403 19817 4926 1 15 . 1 1 121 121 LEU H H 121 8.520 8.520 7.453 1.067 19817 4927 1 15 . 1 1 122 122 GLN N N 122 120.780 120.780 120.093 0.687 19817 4928 1 15 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.017 0.093 19817 4929 1 15 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.983 -0.183 19817 4930 1 15 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.222 -0.222 19817 4931 1 15 . 1 1 122 122 GLN H H 122 8.810 8.810 8.933 -0.123 19817 4932 1 15 . 1 1 123 123 ALA N N 123 121.220 121.220 120.323 0.897 19817 4933 1 15 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.106 0.194 19817 4934 1 15 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.655 -1.055 19817 4935 1 15 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.349 0.151 19817 4936 1 15 . 1 1 123 123 ALA H H 123 7.580 7.580 7.889 -0.309 19817 4937 1 15 . 1 1 124 124 THR N N 124 106.720 106.720 107.990 -1.270 19817 4938 1 15 . 1 1 124 124 THR HA H 124 4.050 4.050 4.146 -0.096 19817 4939 1 15 . 1 1 124 124 THR CA C 124 64.200 64.200 63.198 1.002 19817 4940 1 15 . 1 1 124 124 THR CB C 124 71.300 71.300 69.578 1.722 19817 4941 1 15 . 1 1 124 124 THR H H 124 7.490 7.490 7.680 -0.190 19817 4942 1 15 . 1 1 125 125 GLY N N 125 108.350 108.350 109.638 -1.288 19817 4943 1 15 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.618 0.981 19817 4944 1 15 . 1 1 125 125 GLY H H 125 7.680 7.680 7.627 0.053 19817 4945 1 15 . 1 1 126 126 GLU N N 126 120.100 120.100 122.271 -2.171 19817 4946 1 15 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.314 -0.034 19817 4947 1 15 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.450 -1.250 19817 4948 1 15 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.745 1.255 19817 4949 1 15 . 1 1 126 126 GLU H H 126 7.500 7.500 8.567 -1.067 19817 4950 1 15 . 1 1 127 127 THR N N 127 119.830 119.830 115.088 4.742 19817 4951 1 15 . 1 1 127 127 THR HA H 127 4.170 4.170 4.264 -0.095 19817 4952 1 15 . 1 1 127 127 THR CA C 127 63.700 63.700 61.663 2.037 19817 4953 1 15 . 1 1 127 127 THR CB C 127 68.800 68.800 69.579 -0.779 19817 4954 1 15 . 1 1 127 127 THR H H 127 8.650 8.650 8.319 0.331 19817 4955 1 15 . 1 1 128 128 ILE N N 128 128.630 128.630 122.075 6.555 19817 4956 1 15 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.340 0.300 19817 4957 1 15 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.046 -1.346 19817 4958 1 15 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.138 -0.938 19817 4959 1 15 . 1 1 128 128 ILE H H 128 8.370 8.370 8.387 -0.017 19817 4960 1 15 . 1 1 129 129 THR N N 129 119.830 119.830 116.276 3.554 19817 4961 1 15 . 1 1 129 129 THR HA H 129 4.750 4.750 4.252 0.498 19817 4962 1 15 . 1 1 129 129 THR CA C 129 59.700 59.700 61.128 -1.428 19817 4963 1 15 . 1 1 129 129 THR CB C 129 72.300 72.300 69.877 2.423 19817 4964 1 15 . 1 1 129 129 THR H H 129 9.680 9.680 8.081 1.599 19817 4965 1 15 . 1 1 130 130 GLU N N 130 119.760 119.760 123.066 -3.306 19817 4966 1 15 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.917 0.113 19817 4967 1 15 . 1 1 130 130 GLU CA C 130 59.800 59.800 61.009 -1.209 19817 4968 1 15 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.146 -0.046 19817 4969 1 15 . 1 1 130 130 GLU H H 130 8.920 8.920 8.981 -0.061 19817 4970 1 15 . 1 1 131 131 ASP N N 131 117.750 117.750 117.060 0.690 19817 4971 1 15 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.284 0.096 19817 4972 1 15 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.587 -0.287 19817 4973 1 15 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.786 1.014 19817 4974 1 15 . 1 1 131 131 ASP H H 131 7.830 7.830 8.755 -0.925 19817 4975 1 15 . 1 1 132 132 ASP N N 132 119.880 119.880 120.811 -0.931 19817 4976 1 15 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.408 -0.188 19817 4977 1 15 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.011 1.190 19817 4978 1 15 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.181 0.919 19817 4979 1 15 . 1 1 132 132 ASP H H 132 7.570 7.570 7.609 -0.039 19817 4980 1 15 . 1 1 133 133 ILE N N 133 116.580 116.580 120.718 -4.138 19817 4981 1 15 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.666 -0.326 19817 4982 1 15 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.245 0.256 19817 4983 1 15 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.903 0.797 19817 4984 1 15 . 1 1 133 133 ILE H H 133 7.180 7.180 7.794 -0.614 19817 4985 1 15 . 1 1 134 134 GLU N N 134 117.740 117.740 120.807 -3.067 19817 4986 1 15 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.890 0.000 19817 4987 1 15 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.213 -0.613 19817 4988 1 15 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.589 0.511 19817 4989 1 15 . 1 1 134 134 GLU H H 134 8.150 8.150 8.841 -0.691 19817 4990 1 15 . 1 1 135 135 GLU N N 135 116.300 116.300 120.379 -4.079 19817 4991 1 15 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.098 0.122 19817 4992 1 15 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.221 -0.321 19817 4993 1 15 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.455 -0.155 19817 4994 1 15 . 1 1 135 135 GLU H H 135 8.430 8.430 8.426 0.004 19817 4995 1 15 . 1 1 136 136 LEU N N 136 120.700 120.700 120.015 0.685 19817 4996 1 15 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.102 0.158 19817 4997 1 15 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.042 -0.642 19817 4998 1 15 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.160 -0.460 19817 4999 1 15 . 1 1 136 136 LEU H H 136 8.100 8.100 8.229 -0.129 19817 5000 1 15 . 1 1 137 137 MET N N 137 117.930 117.930 116.513 1.417 19817 5001 1 15 . 1 1 137 137 MET HA H 137 4.290 4.290 4.346 -0.056 19817 5002 1 15 . 1 1 137 137 MET CA C 137 57.700 57.700 59.187 -1.486 19817 5003 1 15 . 1 1 137 137 MET CB C 137 30.600 30.600 33.315 -2.715 19817 5004 1 15 . 1 1 137 137 MET H H 137 8.180 8.180 8.319 -0.139 19817 5005 1 15 . 1 1 138 138 LYS N N 138 117.370 117.370 117.913 -0.543 19817 5006 1 15 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.047 0.023 19817 5007 1 15 . 1 1 138 138 LYS CA C 138 59.000 59.000 58.666 0.334 19817 5008 1 15 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.912 0.688 19817 5009 1 15 . 1 1 138 138 LYS H H 138 8.060 8.060 8.535 -0.475 19817 5010 1 15 . 1 1 139 139 ASP N N 139 117.330 117.330 119.859 -2.529 19817 5011 1 15 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.353 0.027 19817 5012 1 15 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.455 0.245 19817 5013 1 15 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.983 2.217 19817 5014 1 15 . 1 1 139 139 ASP H H 139 7.650 7.650 7.970 -0.320 19817 5015 1 15 . 1 1 140 140 GLY N N 140 101.850 101.850 103.512 -1.662 19817 5016 1 15 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.620 2.580 19817 5017 1 15 . 1 1 140 140 GLY H H 140 7.850 7.850 7.178 0.672 19817 5018 1 15 . 1 1 141 141 ASP N N 141 120.420 120.420 122.255 -1.835 19817 5019 1 15 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.031 -0.461 19817 5020 1 15 . 1 1 141 141 ASP CA C 141 53.200 53.200 52.833 0.367 19817 5021 1 15 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.479 -1.979 19817 5022 1 15 . 1 1 141 141 ASP H H 141 8.500 8.500 7.842 0.658 19817 5023 1 15 . 1 1 142 142 LYS N N 142 125.890 125.890 127.125 -1.235 19817 5024 1 15 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.048 0.102 19817 5025 1 15 . 1 1 142 142 LYS CA C 142 57.900 57.900 57.954 -0.054 19817 5026 1 15 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.478 0.522 19817 5027 1 15 . 1 1 142 142 LYS H H 142 7.740 7.740 8.137 -0.397 19817 5028 1 15 . 1 1 143 143 ASN N N 143 113.610 113.610 122.350 -8.740 19817 5029 1 15 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.292 0.508 19817 5030 1 15 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.650 -1.950 19817 5031 1 15 . 1 1 143 143 ASN CB C 143 37.200 37.200 37.686 -0.486 19817 5032 1 15 . 1 1 143 143 ASN H H 143 8.120 8.120 8.966 -0.846 19817 5033 1 15 . 1 1 144 144 ASN N N 144 115.900 115.900 113.291 2.609 19817 5034 1 15 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.490 0.010 19817 5035 1 15 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.356 0.744 19817 5036 1 15 . 1 1 144 144 ASN CB C 144 37.800 37.800 38.126 -0.326 19817 5037 1 15 . 1 1 144 144 ASN H H 144 7.720 7.720 8.110 -0.390 19817 5038 1 15 . 1 1 145 145 ASP N N 145 118.570 118.570 116.620 1.950 19817 5039 1 15 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.462 0.248 19817 5040 1 15 . 1 1 145 145 ASP CA C 145 53.000 53.000 55.002 -2.002 19817 5041 1 15 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.340 -0.340 19817 5042 1 15 . 1 1 145 145 ASP H H 145 8.680 8.680 8.087 0.593 19817 5043 1 15 . 1 1 146 146 GLY N N 146 112.940 112.940 108.009 4.931 19817 5044 1 15 . 1 1 146 146 GLY CA C 146 45.700 45.700 44.886 0.814 19817 5045 1 15 . 1 1 146 146 GLY H H 146 10.320 10.320 8.951 1.369 19817 5046 1 15 . 1 1 147 147 ARG N N 147 115.440 115.440 121.363 -5.923 19817 5047 1 15 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.790 0.120 19817 5048 1 15 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.874 -0.874 19817 5049 1 15 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.723 0.677 19817 5050 1 15 . 1 1 147 147 ARG H H 147 7.690 7.690 8.074 -0.384 19817 5051 1 15 . 1 1 148 148 ILE N N 148 126.090 126.090 122.389 3.701 19817 5052 1 15 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.912 0.138 19817 5053 1 15 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.546 0.054 19817 5054 1 15 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.958 0.042 19817 5055 1 15 . 1 1 148 148 ILE H H 148 9.430 9.430 9.064 0.366 19817 5056 1 15 . 1 1 149 149 ASP N N 149 129.170 129.170 128.157 1.013 19817 5057 1 15 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.871 0.289 19817 5058 1 15 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.002 -0.502 19817 5059 1 15 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.264 -1.365 19817 5060 1 15 . 1 1 149 149 ASP H H 149 9.390 9.390 8.966 0.424 19817 5061 1 15 . 1 1 150 150 TYR N N 150 118.600 118.600 122.554 -3.954 19817 5062 1 15 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.493 -0.113 19817 5063 1 15 . 1 1 150 150 TYR CA C 150 62.200 62.200 61.160 1.040 19817 5064 1 15 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.021 0.179 19817 5065 1 15 . 1 1 150 150 TYR H H 150 8.420 8.420 8.449 -0.029 19817 5066 1 15 . 1 1 151 151 ASP N N 151 118.060 118.060 118.149 -0.089 19817 5067 1 15 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.086 -0.006 19817 5068 1 15 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.443 -0.542 19817 5069 1 15 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.496 0.104 19817 5070 1 15 . 1 1 151 151 ASP H H 151 7.740 7.740 8.443 -0.703 19817 5071 1 15 . 1 1 152 152 GLU N N 152 120.480 120.480 119.795 0.685 19817 5072 1 15 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.055 -0.025 19817 5073 1 15 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.075 -0.375 19817 5074 1 15 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.681 0.019 19817 5075 1 15 . 1 1 152 152 GLU H H 152 8.880 8.880 7.466 1.414 19817 5076 1 15 . 1 1 153 153 PHE N N 153 124.990 124.990 121.441 3.549 19817 5077 1 15 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.217 -0.217 19817 5078 1 15 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.682 0.118 19817 5079 1 15 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.262 0.538 19817 5080 1 15 . 1 1 153 153 PHE H H 153 9.280 9.280 8.625 0.655 19817 5081 1 15 . 1 1 154 154 LEU N N 154 117.780 117.780 118.436 -0.656 19817 5082 1 15 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.614 0.036 19817 5083 1 15 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.995 0.205 19817 5084 1 15 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.105 0.296 19817 5085 1 15 . 1 1 154 154 LEU H H 154 7.880 7.880 8.480 -0.600 19817 5086 1 15 . 1 1 155 155 GLU N N 155 116.556 116.556 119.405 -2.849 19817 5087 1 15 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.915 0.135 19817 5088 1 15 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.464 -0.564 19817 5089 1 15 . 1 1 155 155 GLU CB C 155 29.500 29.500 29.315 0.185 19817 5090 1 15 . 1 1 155 155 GLU H H 155 6.910 6.910 7.583 -0.673 19817 5091 1 15 . 1 1 156 156 PHE N N 156 121.800 121.800 119.180 2.620 19817 5092 1 15 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.174 -0.054 19817 5093 1 15 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.305 -2.705 19817 5094 1 15 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.572 2.328 19817 5095 1 15 . 1 1 156 156 PHE H H 156 8.610 8.610 7.643 0.967 19817 5096 1 15 . 1 1 157 157 MET N N 157 111.800 111.800 116.638 -4.838 19817 5097 1 15 . 1 1 157 157 MET HA H 157 4.360 4.360 4.108 0.252 19817 5098 1 15 . 1 1 157 157 MET CA C 157 53.300 53.300 58.560 -5.261 19817 5099 1 15 . 1 1 157 157 MET CB C 157 32.500 32.500 32.524 -0.024 19817 5100 1 15 . 1 1 157 157 MET H H 157 7.490 7.490 7.605 -0.115 19817 5101 1 15 . 1 1 158 158 LYS N N 158 121.970 121.970 120.339 1.631 19817 5102 1 15 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.026 -0.076 19817 5103 1 15 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.962 0.338 19817 5104 1 15 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.238 0.162 19817 5105 1 15 . 1 1 158 158 LYS H H 158 7.110 7.110 8.216 -1.106 19817 5106 1 15 . 1 1 159 159 ASP N N 159 116.800 116.800 117.557 -0.757 19817 5107 1 15 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.758 -0.318 19817 5108 1 15 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.735 0.165 19817 5109 1 15 . 1 1 159 159 ASP CB C 159 40.400 40.400 41.210 -0.810 19817 5110 1 15 . 1 1 159 159 ASP H H 159 8.470 8.470 8.039 0.431 19817 5111 1 15 . 1 1 160 160 VAL N N 160 119.800 119.800 115.644 4.156 19817 5112 1 15 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.486 -0.696 19817 5113 1 15 . 1 1 160 160 VAL CA C 160 63.300 63.300 59.895 3.405 19817 5114 1 15 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.177 -2.077 19817 5115 1 15 . 1 1 160 160 VAL H H 160 7.270 7.270 7.400 -0.130 19817 5116 1 16 . 1 1 91 91 GLY N N 91 123.830 123.830 114.473 9.357 19817 5117 1 16 . 1 1 91 91 GLY CA C 91 45.000 45.000 46.385 -1.385 19817 5118 1 16 . 1 1 91 91 GLY H H 91 6.020 6.020 8.674 -2.654 19817 5119 1 16 . 1 1 92 92 LYS N N 92 121.100 121.100 124.691 -3.591 19817 5120 1 16 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.547 -0.117 19817 5121 1 16 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.199 -0.199 19817 5122 1 16 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.603 0.196 19817 5123 1 16 . 1 1 92 92 LYS H H 92 8.610 8.610 8.373 0.237 19817 5124 1 16 . 1 1 93 93 SER N N 93 117.190 117.190 118.021 -0.831 19817 5125 1 16 . 1 1 93 93 SER HA H 93 4.470 4.470 4.742 -0.272 19817 5126 1 16 . 1 1 93 93 SER CA C 93 58.100 58.100 56.681 1.419 19817 5127 1 16 . 1 1 93 93 SER CB C 93 65.000 65.000 65.993 -0.993 19817 5128 1 16 . 1 1 93 93 SER H H 93 8.760 8.760 9.519 -0.759 19817 5129 1 16 . 1 1 94 94 GLU N N 94 122.350 122.350 124.332 -1.982 19817 5130 1 16 . 1 1 94 94 GLU HA H 94 4.000 4.000 3.947 0.053 19817 5131 1 16 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.644 0.356 19817 5132 1 16 . 1 1 94 94 GLU CB C 94 29.100 29.100 28.790 0.310 19817 5133 1 16 . 1 1 94 94 GLU H H 94 8.890 8.890 9.042 -0.152 19817 5134 1 16 . 1 1 95 95 GLU N N 95 119.160 119.160 122.160 -3.000 19817 5135 1 16 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.019 0.071 19817 5136 1 16 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.871 -0.171 19817 5137 1 16 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.135 0.065 19817 5138 1 16 . 1 1 95 95 GLU H H 95 8.610 8.610 8.614 -0.004 19817 5139 1 16 . 1 1 96 96 GLU N N 96 120.300 120.300 118.865 1.435 19817 5140 1 16 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.133 0.157 19817 5141 1 16 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.111 -0.111 19817 5142 1 16 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.543 0.657 19817 5143 1 16 . 1 1 96 96 GLU H H 96 7.930 7.930 8.020 -0.090 19817 5144 1 16 . 1 1 97 97 LEU N N 97 119.340 119.340 120.177 -0.837 19817 5145 1 16 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.250 0.020 19817 5146 1 16 . 1 1 97 97 LEU CA C 97 58.500 58.500 57.748 0.752 19817 5147 1 16 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.960 -0.060 19817 5148 1 16 . 1 1 97 97 LEU H H 97 8.520 8.520 7.483 1.037 19817 5149 1 16 . 1 1 98 98 SER N N 98 115.800 115.800 115.617 0.183 19817 5150 1 16 . 1 1 98 98 SER HA H 98 4.280 4.280 4.399 -0.119 19817 5151 1 16 . 1 1 98 98 SER CA C 98 62.300 62.300 63.060 -0.760 19817 5152 1 16 . 1 1 98 98 SER CB C 98 62.500 62.500 62.894 -0.394 19817 5153 1 16 . 1 1 98 98 SER H H 98 8.700 8.700 8.875 -0.175 19817 5154 1 16 . 1 1 99 99 ASP N N 99 121.600 121.600 122.461 -0.861 19817 5155 1 16 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.419 0.281 19817 5156 1 16 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.580 0.920 19817 5157 1 16 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.027 0.373 19817 5158 1 16 . 1 1 99 99 ASP H H 99 7.510 7.510 8.249 -0.739 19817 5159 1 16 . 1 1 100 100 LEU N N 100 117.900 117.900 119.125 -1.225 19817 5160 1 16 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.080 0.070 19817 5161 1 16 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.766 0.534 19817 5162 1 16 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.011 -0.411 19817 5163 1 16 . 1 1 100 100 LEU H H 100 8.170 8.170 7.569 0.601 19817 5164 1 16 . 1 1 101 101 PHE N N 101 120.490 120.490 119.912 0.578 19817 5165 1 16 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.939 1.331 19817 5166 1 16 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.059 1.141 19817 5167 1 16 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.603 0.597 19817 5168 1 16 . 1 1 101 101 PHE H H 101 8.760 8.760 8.016 0.744 19817 5169 1 16 . 1 1 102 102 ARG N N 102 115.520 115.520 117.940 -2.420 19817 5170 1 16 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.797 0.173 19817 5171 1 16 . 1 1 102 102 ARG CA C 102 59.200 59.200 57.761 1.439 19817 5172 1 16 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.233 1.167 19817 5173 1 16 . 1 1 102 102 ARG H H 102 7.470 7.470 8.505 -1.035 19817 5174 1 16 . 1 1 103 103 MET N N 103 114.150 114.150 116.941 -2.791 19817 5175 1 16 . 1 1 103 103 MET HA H 103 4.370 4.370 4.012 0.358 19817 5176 1 16 . 1 1 103 103 MET CA C 103 55.900 55.900 58.271 -2.371 19817 5177 1 16 . 1 1 103 103 MET CB C 103 34.300 34.300 32.583 1.718 19817 5178 1 16 . 1 1 103 103 MET H H 103 7.590 7.590 7.331 0.259 19817 5179 1 16 . 1 1 104 104 PHE N N 104 115.060 115.060 115.984 -0.924 19817 5180 1 16 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.207 0.083 19817 5181 1 16 . 1 1 104 104 PHE CA C 104 59.400 59.400 59.443 -0.043 19817 5182 1 16 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.108 2.591 19817 5183 1 16 . 1 1 104 104 PHE H H 104 7.380 7.380 7.027 0.353 19817 5184 1 16 . 1 1 105 105 ASP N N 105 116.710 116.710 118.438 -1.728 19817 5185 1 16 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.812 -0.392 19817 5186 1 16 . 1 1 105 105 ASP CA C 105 52.400 52.400 52.536 -0.136 19817 5187 1 16 . 1 1 105 105 ASP CB C 105 39.000 39.000 39.574 -0.574 19817 5188 1 16 . 1 1 105 105 ASP H H 105 7.270 7.270 7.869 -0.599 19817 5189 1 16 . 1 1 106 106 LYS N N 106 124.270 124.270 127.801 -3.531 19817 5190 1 16 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.025 0.005 19817 5191 1 16 . 1 1 106 106 LYS C C 106 113.428 113.428 177.496 -64.068 19817 5192 1 16 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.248 -0.048 19817 5193 1 16 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.485 0.415 19817 5194 1 16 . 1 1 106 106 LYS H H 106 7.510 7.510 8.095 -0.585 19817 5195 1 16 . 1 1 107 107 ASN N N 107 113.600 113.600 114.715 -1.115 19817 5196 1 16 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.713 0.017 19817 5197 1 16 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.926 -1.226 19817 5198 1 16 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.689 -1.789 19817 5199 1 16 . 1 1 107 107 ASN H H 107 8.000 8.000 8.469 -0.469 19817 5200 1 16 . 1 1 108 108 ALA N N 108 121.600 121.600 119.431 2.169 19817 5201 1 16 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.040 0.030 19817 5202 1 16 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.466 -0.166 19817 5203 1 16 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.093 0.007 19817 5204 1 16 . 1 1 108 108 ALA H H 108 7.810 7.810 7.381 0.429 19817 5205 1 16 . 1 1 109 109 ASP N N 109 118.480 118.480 117.467 1.013 19817 5206 1 16 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.455 0.245 19817 5207 1 16 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.650 -1.450 19817 5208 1 16 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.348 -0.348 19817 5209 1 16 . 1 1 109 109 ASP H H 109 8.520 8.520 7.989 0.531 19817 5210 1 16 . 1 1 110 110 GLY N N 110 112.250 112.250 105.139 7.111 19817 5211 1 16 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.766 0.234 19817 5212 1 16 . 1 1 110 110 GLY H H 110 10.400 10.400 8.518 1.882 19817 5213 1 16 . 1 1 111 111 TYR N N 111 115.590 115.590 119.453 -3.863 19817 5214 1 16 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.381 -0.211 19817 5215 1 16 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.996 -0.896 19817 5216 1 16 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.164 1.936 19817 5217 1 16 . 1 1 111 111 TYR H H 111 8.000 8.000 8.622 -0.622 19817 5218 1 16 . 1 1 112 112 ILE N N 112 125.560 125.560 124.309 1.251 19817 5219 1 16 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.291 0.469 19817 5220 1 16 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.795 -1.195 19817 5221 1 16 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.092 0.908 19817 5222 1 16 . 1 1 112 112 ILE H H 112 9.830 9.830 9.499 0.331 19817 5223 1 16 . 1 1 113 113 ASP N N 113 128.350 128.350 127.639 0.711 19817 5224 1 16 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.113 -0.153 19817 5225 1 16 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.218 -1.218 19817 5226 1 16 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.791 -1.591 19817 5227 1 16 . 1 1 113 113 ASP H H 113 9.030 9.030 9.243 -0.213 19817 5228 1 16 . 1 1 114 114 LEU N N 114 118.300 118.300 121.295 -2.995 19817 5229 1 16 . 1 1 114 114 LEU HA H 114 3.980 3.980 3.984 -0.004 19817 5230 1 16 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.984 -0.184 19817 5231 1 16 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.523 1.077 19817 5232 1 16 . 1 1 114 114 LEU H H 114 8.530 8.530 8.673 -0.143 19817 5233 1 16 . 1 1 115 115 ASP N N 115 118.300 118.300 119.138 -0.838 19817 5234 1 16 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.309 0.061 19817 5235 1 16 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.227 -0.227 19817 5236 1 16 . 1 1 115 115 ASP CB C 115 40.640 40.640 39.959 0.681 19817 5237 1 16 . 1 1 115 115 ASP H H 115 7.920 7.920 8.773 -0.853 19817 5238 1 16 . 1 1 116 116 GLU N N 116 121.400 121.400 119.695 1.705 19817 5239 1 16 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.006 0.624 19817 5240 1 16 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.494 -0.994 19817 5241 1 16 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.403 -0.003 19817 5242 1 16 . 1 1 116 116 GLU H H 116 8.670 8.670 8.295 0.375 19817 5243 1 16 . 1 1 117 117 LEU N N 117 121.200 121.200 121.445 -0.245 19817 5244 1 16 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.148 -0.158 19817 5245 1 16 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.101 0.359 19817 5246 1 16 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.133 -0.083 19817 5247 1 16 . 1 1 117 117 LEU H H 117 8.670 8.670 8.245 0.425 19817 5248 1 16 . 1 1 118 118 LYS N N 118 118.800 118.800 120.093 -1.293 19817 5249 1 16 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.920 -0.100 19817 5250 1 16 . 1 1 118 118 LYS CA C 118 61.300 61.300 60.185 1.115 19817 5251 1 16 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.321 0.179 19817 5252 1 16 . 1 1 118 118 LYS H H 118 8.610 8.610 8.199 0.411 19817 5253 1 16 . 1 1 119 119 ILE N N 119 119.400 119.400 119.892 -0.492 19817 5254 1 16 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.640 0.170 19817 5255 1 16 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.581 -0.481 19817 5256 1 16 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.941 0.259 19817 5257 1 16 . 1 1 119 119 ILE H H 119 8.180 8.180 8.489 -0.309 19817 5258 1 16 . 1 1 120 120 MET N N 120 119.340 119.340 119.667 -0.327 19817 5259 1 16 . 1 1 120 120 MET HA H 120 3.360 3.360 4.042 -0.682 19817 5260 1 16 . 1 1 120 120 MET CA C 120 57.100 57.100 59.210 -2.110 19817 5261 1 16 . 1 1 120 120 MET CB C 120 31.600 31.600 32.754 -1.154 19817 5262 1 16 . 1 1 120 120 MET H H 120 7.500 7.500 7.583 -0.083 19817 5263 1 16 . 1 1 121 121 LEU N N 121 117.920 117.920 121.411 -3.491 19817 5264 1 16 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.198 -0.168 19817 5265 1 16 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.560 0.039 19817 5266 1 16 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.823 0.877 19817 5267 1 16 . 1 1 121 121 LEU H H 121 8.520 8.520 8.790 -0.270 19817 5268 1 16 . 1 1 122 122 GLN N N 122 120.780 120.780 118.631 2.149 19817 5269 1 16 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.130 -0.020 19817 5270 1 16 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.836 -0.036 19817 5271 1 16 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.557 -0.557 19817 5272 1 16 . 1 1 122 122 GLN H H 122 8.810 8.810 8.795 0.015 19817 5273 1 16 . 1 1 123 123 ALA N N 123 121.220 121.220 119.228 1.992 19817 5274 1 16 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.194 0.106 19817 5275 1 16 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.240 -0.640 19817 5276 1 16 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.725 -0.225 19817 5277 1 16 . 1 1 123 123 ALA H H 123 7.580 7.580 7.543 0.037 19817 5278 1 16 . 1 1 124 124 THR N N 124 106.720 106.720 108.758 -2.038 19817 5279 1 16 . 1 1 124 124 THR HA H 124 4.050 4.050 4.383 -0.333 19817 5280 1 16 . 1 1 124 124 THR CA C 124 64.200 64.200 62.840 1.360 19817 5281 1 16 . 1 1 124 124 THR CB C 124 71.300 71.300 70.449 0.851 19817 5282 1 16 . 1 1 124 124 THR H H 124 7.490 7.490 7.618 -0.128 19817 5283 1 16 . 1 1 125 125 GLY N N 125 108.350 108.350 109.388 -1.038 19817 5284 1 16 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.050 1.550 19817 5285 1 16 . 1 1 125 125 GLY H H 125 7.680 7.680 8.513 -0.833 19817 5286 1 16 . 1 1 126 126 GLU N N 126 120.100 120.100 117.619 2.481 19817 5287 1 16 . 1 1 126 126 GLU HA H 126 4.280 4.280 3.860 0.420 19817 5288 1 16 . 1 1 126 126 GLU CA C 126 55.200 55.200 59.136 -3.936 19817 5289 1 16 . 1 1 126 126 GLU CB C 126 31.000 31.000 27.747 3.253 19817 5290 1 16 . 1 1 126 126 GLU H H 126 7.500 7.500 8.211 -0.711 19817 5291 1 16 . 1 1 127 127 THR N N 127 119.830 119.830 117.458 2.372 19817 5292 1 16 . 1 1 127 127 THR HA H 127 4.170 4.170 4.581 -0.411 19817 5293 1 16 . 1 1 127 127 THR CA C 127 63.700 63.700 61.862 1.838 19817 5294 1 16 . 1 1 127 127 THR CB C 127 68.800 68.800 70.246 -1.446 19817 5295 1 16 . 1 1 127 127 THR H H 127 8.650 8.650 8.280 0.370 19817 5296 1 16 . 1 1 128 128 ILE N N 128 128.630 128.630 125.952 2.678 19817 5297 1 16 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.436 0.204 19817 5298 1 16 . 1 1 128 128 ILE CA C 128 57.700 57.700 58.873 -1.173 19817 5299 1 16 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.716 -1.516 19817 5300 1 16 . 1 1 128 128 ILE H H 128 8.370 8.370 8.302 0.068 19817 5301 1 16 . 1 1 129 129 THR N N 129 119.830 119.830 117.121 2.709 19817 5302 1 16 . 1 1 129 129 THR HA H 129 4.750 4.750 4.494 0.256 19817 5303 1 16 . 1 1 129 129 THR CA C 129 59.700 59.700 60.041 -0.341 19817 5304 1 16 . 1 1 129 129 THR CB C 129 72.300 72.300 70.514 1.786 19817 5305 1 16 . 1 1 129 129 THR H H 129 9.680 9.680 8.155 1.525 19817 5306 1 16 . 1 1 130 130 GLU N N 130 119.760 119.760 120.918 -1.158 19817 5307 1 16 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.020 0.010 19817 5308 1 16 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.984 -0.184 19817 5309 1 16 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.030 0.070 19817 5310 1 16 . 1 1 130 130 GLU H H 130 8.920 8.920 8.924 -0.004 19817 5311 1 16 . 1 1 131 131 ASP N N 131 117.750 117.750 116.889 0.861 19817 5312 1 16 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.615 -0.235 19817 5313 1 16 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.441 -0.141 19817 5314 1 16 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.949 0.851 19817 5315 1 16 . 1 1 131 131 ASP H H 131 7.830 7.830 8.784 -0.954 19817 5316 1 16 . 1 1 132 132 ASP N N 132 119.880 119.880 120.999 -1.119 19817 5317 1 16 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.436 -0.216 19817 5318 1 16 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.980 1.220 19817 5319 1 16 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.901 1.199 19817 5320 1 16 . 1 1 132 132 ASP H H 132 7.570 7.570 7.653 -0.083 19817 5321 1 16 . 1 1 133 133 ILE N N 133 116.580 116.580 120.132 -3.552 19817 5322 1 16 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.654 -0.314 19817 5323 1 16 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.389 0.111 19817 5324 1 16 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.934 0.766 19817 5325 1 16 . 1 1 133 133 ILE H H 133 7.180 7.180 7.374 -0.194 19817 5326 1 16 . 1 1 134 134 GLU N N 134 117.740 117.740 120.824 -3.084 19817 5327 1 16 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.913 -0.023 19817 5328 1 16 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.937 -0.337 19817 5329 1 16 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.617 0.483 19817 5330 1 16 . 1 1 134 134 GLU H H 134 8.150 8.150 8.641 -0.491 19817 5331 1 16 . 1 1 135 135 GLU N N 135 116.300 116.300 118.991 -2.691 19817 5332 1 16 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.114 0.106 19817 5333 1 16 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.464 -0.564 19817 5334 1 16 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.460 -0.160 19817 5335 1 16 . 1 1 135 135 GLU H H 135 8.430 8.430 8.744 -0.314 19817 5336 1 16 . 1 1 136 136 LEU N N 136 120.700 120.700 121.582 -0.882 19817 5337 1 16 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.174 0.086 19817 5338 1 16 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.041 -0.641 19817 5339 1 16 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.152 -0.452 19817 5340 1 16 . 1 1 136 136 LEU H H 136 8.100 8.100 7.778 0.322 19817 5341 1 16 . 1 1 137 137 MET N N 137 117.930 117.930 115.964 1.966 19817 5342 1 16 . 1 1 137 137 MET HA H 137 4.290 4.290 4.413 -0.123 19817 5343 1 16 . 1 1 137 137 MET CA C 137 57.700 57.700 58.663 -0.963 19817 5344 1 16 . 1 1 137 137 MET CB C 137 30.600 30.600 32.569 -1.969 19817 5345 1 16 . 1 1 137 137 MET H H 137 8.180 8.180 8.194 -0.014 19817 5346 1 16 . 1 1 138 138 LYS N N 138 117.370 117.370 119.398 -2.028 19817 5347 1 16 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.077 -0.007 19817 5348 1 16 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.228 -0.228 19817 5349 1 16 . 1 1 138 138 LYS CB C 138 32.600 32.600 31.785 0.815 19817 5350 1 16 . 1 1 138 138 LYS H H 138 8.060 8.060 8.572 -0.512 19817 5351 1 16 . 1 1 139 139 ASP N N 139 117.330 117.330 119.354 -2.024 19817 5352 1 16 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.367 0.013 19817 5353 1 16 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.485 0.215 19817 5354 1 16 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.373 2.827 19817 5355 1 16 . 1 1 139 139 ASP H H 139 7.650 7.650 7.953 -0.303 19817 5356 1 16 . 1 1 140 140 GLY N N 140 101.850 101.850 103.629 -1.779 19817 5357 1 16 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.727 2.473 19817 5358 1 16 . 1 1 140 140 GLY H H 140 7.850 7.850 7.421 0.429 19817 5359 1 16 . 1 1 141 141 ASP N N 141 120.420 120.420 121.369 -0.949 19817 5360 1 16 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.825 -0.255 19817 5361 1 16 . 1 1 141 141 ASP CA C 141 53.200 53.200 52.792 0.408 19817 5362 1 16 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.167 -0.667 19817 5363 1 16 . 1 1 141 141 ASP H H 141 8.500 8.500 7.390 1.110 19817 5364 1 16 . 1 1 142 142 LYS N N 142 125.890 125.890 119.974 5.916 19817 5365 1 16 . 1 1 142 142 LYS HA H 142 4.150 4.150 3.932 0.218 19817 5366 1 16 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.941 -1.041 19817 5367 1 16 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.582 0.418 19817 5368 1 16 . 1 1 142 142 LYS H H 142 7.740 7.740 7.694 0.046 19817 5369 1 16 . 1 1 143 143 ASN N N 143 113.610 113.610 118.225 -4.615 19817 5370 1 16 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.707 0.093 19817 5371 1 16 . 1 1 143 143 ASN CA C 143 51.700 51.700 52.429 -0.729 19817 5372 1 16 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.669 -1.469 19817 5373 1 16 . 1 1 143 143 ASN H H 143 8.120 8.120 7.908 0.212 19817 5374 1 16 . 1 1 144 144 ASN N N 144 115.900 115.900 125.255 -9.355 19817 5375 1 16 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.749 -0.249 19817 5376 1 16 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.062 1.038 19817 5377 1 16 . 1 1 144 144 ASN CB C 144 37.800 37.800 38.226 -0.426 19817 5378 1 16 . 1 1 144 144 ASN H H 144 7.720 7.720 8.463 -0.743 19817 5379 1 16 . 1 1 145 145 ASP N N 145 118.570 118.570 123.361 -4.791 19817 5380 1 16 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.701 0.009 19817 5381 1 16 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.376 -0.376 19817 5382 1 16 . 1 1 145 145 ASP CB C 145 41.000 41.000 41.685 -0.685 19817 5383 1 16 . 1 1 145 145 ASP H H 145 8.680 8.680 8.463 0.217 19817 5384 1 16 . 1 1 146 146 GLY N N 146 112.940 112.940 110.057 2.883 19817 5385 1 16 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.476 0.224 19817 5386 1 16 . 1 1 146 146 GLY H H 146 10.320 10.320 8.159 2.161 19817 5387 1 16 . 1 1 147 147 ARG N N 147 115.440 115.440 116.062 -0.622 19817 5388 1 16 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.730 0.180 19817 5389 1 16 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.206 -0.206 19817 5390 1 16 . 1 1 147 147 ARG CB C 147 34.400 34.400 32.370 2.030 19817 5391 1 16 . 1 1 147 147 ARG H H 147 7.690 7.690 8.321 -0.631 19817 5392 1 16 . 1 1 148 148 ILE N N 148 126.090 126.090 121.514 4.576 19817 5393 1 16 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.863 0.187 19817 5394 1 16 . 1 1 148 148 ILE CA C 148 60.600 60.600 59.169 1.431 19817 5395 1 16 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.128 2.872 19817 5396 1 16 . 1 1 148 148 ILE H H 148 9.430 9.430 8.326 1.104 19817 5397 1 16 . 1 1 149 149 ASP N N 149 129.170 129.170 129.209 -0.039 19817 5398 1 16 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.247 -0.087 19817 5399 1 16 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.563 -1.063 19817 5400 1 16 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.829 -1.929 19817 5401 1 16 . 1 1 149 149 ASP H H 149 9.390 9.390 9.628 -0.238 19817 5402 1 16 . 1 1 150 150 TYR N N 150 118.600 118.600 123.302 -4.702 19817 5403 1 16 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.574 0.806 19817 5404 1 16 . 1 1 150 150 TYR CA C 150 62.200 62.200 61.603 0.597 19817 5405 1 16 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.101 0.099 19817 5406 1 16 . 1 1 150 150 TYR H H 150 8.420 8.420 8.156 0.264 19817 5407 1 16 . 1 1 151 151 ASP N N 151 118.060 118.060 117.707 0.353 19817 5408 1 16 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.115 -0.035 19817 5409 1 16 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.553 0.347 19817 5410 1 16 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.411 0.189 19817 5411 1 16 . 1 1 151 151 ASP H H 151 7.740 7.740 8.811 -1.071 19817 5412 1 16 . 1 1 152 152 GLU N N 152 120.480 120.480 119.836 0.644 19817 5413 1 16 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.027 0.003 19817 5414 1 16 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.005 -0.305 19817 5415 1 16 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.772 -0.072 19817 5416 1 16 . 1 1 152 152 GLU H H 152 8.880 8.880 7.858 1.022 19817 5417 1 16 . 1 1 153 153 PHE N N 153 124.990 124.990 121.130 3.860 19817 5418 1 16 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.422 -0.422 19817 5419 1 16 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.611 0.188 19817 5420 1 16 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.359 0.441 19817 5421 1 16 . 1 1 153 153 PHE H H 153 9.280 9.280 8.425 0.855 19817 5422 1 16 . 1 1 154 154 LEU N N 154 117.780 117.780 117.752 0.028 19817 5423 1 16 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.768 -0.118 19817 5424 1 16 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.962 0.238 19817 5425 1 16 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.104 0.296 19817 5426 1 16 . 1 1 154 154 LEU H H 154 7.880 7.880 8.044 -0.164 19817 5427 1 16 . 1 1 155 155 GLU N N 155 116.556 116.556 119.935 -3.379 19817 5428 1 16 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.911 0.139 19817 5429 1 16 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.484 -0.584 19817 5430 1 16 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.926 0.574 19817 5431 1 16 . 1 1 155 155 GLU H H 155 6.910 6.910 7.611 -0.701 19817 5432 1 16 . 1 1 156 156 PHE N N 156 121.800 121.800 117.518 4.282 19817 5433 1 16 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.068 0.052 19817 5434 1 16 . 1 1 156 156 PHE CA C 156 58.600 58.600 60.950 -2.350 19817 5435 1 16 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.692 2.208 19817 5436 1 16 . 1 1 156 156 PHE H H 156 8.610 8.610 7.749 0.861 19817 5437 1 16 . 1 1 157 157 MET N N 157 111.800 111.800 116.186 -4.386 19817 5438 1 16 . 1 1 157 157 MET HA H 157 4.360 4.360 4.438 -0.078 19817 5439 1 16 . 1 1 157 157 MET CA C 157 53.300 53.300 57.262 -3.962 19817 5440 1 16 . 1 1 157 157 MET CB C 157 32.500 32.500 33.608 -1.108 19817 5441 1 16 . 1 1 157 157 MET H H 157 7.490 7.490 7.509 -0.019 19817 5442 1 16 . 1 1 158 158 LYS N N 158 121.970 121.970 120.589 1.381 19817 5443 1 16 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.032 -0.082 19817 5444 1 16 . 1 1 158 158 LYS CA C 158 59.300 59.300 59.440 -0.140 19817 5445 1 16 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.541 -0.141 19817 5446 1 16 . 1 1 158 158 LYS H H 158 7.110 7.110 8.524 -1.414 19817 5447 1 16 . 1 1 159 159 ASP N N 159 116.800 116.800 118.935 -2.135 19817 5448 1 16 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.619 -0.179 19817 5449 1 16 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.616 0.284 19817 5450 1 16 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.467 -0.067 19817 5451 1 16 . 1 1 159 159 ASP H H 159 8.470 8.470 7.811 0.659 19817 5452 1 16 . 1 1 160 160 VAL N N 160 119.800 119.800 115.091 4.709 19817 5453 1 16 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.906 -0.116 19817 5454 1 16 . 1 1 160 160 VAL CA C 160 63.300 63.300 64.085 -0.785 19817 5455 1 16 . 1 1 160 160 VAL CB C 160 32.100 32.100 31.859 0.241 19817 5456 1 16 . 1 1 160 160 VAL H H 160 7.270 7.270 7.370 -0.100 19817 5457 1 17 . 1 1 91 91 GLY N N 91 123.830 123.830 110.586 13.244 19817 5458 1 17 . 1 1 91 91 GLY CA C 91 45.000 45.000 44.742 0.258 19817 5459 1 17 . 1 1 91 91 GLY H H 91 6.020 6.020 8.302 -2.282 19817 5460 1 17 . 1 1 92 92 LYS N N 92 121.100 121.100 120.028 1.072 19817 5461 1 17 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.254 0.176 19817 5462 1 17 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.602 -0.602 19817 5463 1 17 . 1 1 92 92 LYS CB C 92 33.800 33.800 31.500 2.300 19817 5464 1 17 . 1 1 92 92 LYS H H 92 8.610 8.610 8.413 0.197 19817 5465 1 17 . 1 1 93 93 SER N N 93 117.190 117.190 116.787 0.403 19817 5466 1 17 . 1 1 93 93 SER HA H 93 4.470 4.470 4.670 -0.200 19817 5467 1 17 . 1 1 93 93 SER CA C 93 58.100 58.100 56.766 1.334 19817 5468 1 17 . 1 1 93 93 SER CB C 93 65.000 65.000 66.193 -1.193 19817 5469 1 17 . 1 1 93 93 SER H H 93 8.760 8.760 8.176 0.584 19817 5470 1 17 . 1 1 94 94 GLU N N 94 122.350 122.350 124.408 -2.058 19817 5471 1 17 . 1 1 94 94 GLU HA H 94 4.000 4.000 3.985 0.015 19817 5472 1 17 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.704 0.296 19817 5473 1 17 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.523 -0.423 19817 5474 1 17 . 1 1 94 94 GLU H H 94 8.890 8.890 9.003 -0.113 19817 5475 1 17 . 1 1 95 95 GLU N N 95 119.160 119.160 120.810 -1.650 19817 5476 1 17 . 1 1 95 95 GLU HA H 95 4.090 4.090 3.971 0.119 19817 5477 1 17 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.671 0.029 19817 5478 1 17 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.400 -0.200 19817 5479 1 17 . 1 1 95 95 GLU H H 95 8.610 8.610 8.713 -0.103 19817 5480 1 17 . 1 1 96 96 GLU N N 96 120.300 120.300 118.237 2.063 19817 5481 1 17 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.182 0.108 19817 5482 1 17 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.237 -0.237 19817 5483 1 17 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.597 0.603 19817 5484 1 17 . 1 1 96 96 GLU H H 96 7.930 7.930 7.685 0.245 19817 5485 1 17 . 1 1 97 97 LEU N N 97 119.340 119.340 119.730 -0.390 19817 5486 1 17 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.215 0.055 19817 5487 1 17 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.469 0.031 19817 5488 1 17 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.921 -0.021 19817 5489 1 17 . 1 1 97 97 LEU H H 97 8.520 8.520 7.439 1.081 19817 5490 1 17 . 1 1 98 98 SER N N 98 115.800 115.800 115.269 0.531 19817 5491 1 17 . 1 1 98 98 SER HA H 98 4.280 4.280 4.325 -0.045 19817 5492 1 17 . 1 1 98 98 SER CA C 98 62.300 62.300 62.614 -0.314 19817 5493 1 17 . 1 1 98 98 SER CB C 98 62.500 62.500 62.531 -0.031 19817 5494 1 17 . 1 1 98 98 SER H H 98 8.700 8.700 9.058 -0.358 19817 5495 1 17 . 1 1 99 99 ASP N N 99 121.600 121.600 123.388 -1.788 19817 5496 1 17 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.472 0.228 19817 5497 1 17 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.198 1.302 19817 5498 1 17 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.033 0.367 19817 5499 1 17 . 1 1 99 99 ASP H H 99 7.510 7.510 7.538 -0.028 19817 5500 1 17 . 1 1 100 100 LEU N N 100 117.900 117.900 119.490 -1.590 19817 5501 1 17 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.171 -0.021 19817 5502 1 17 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.681 0.619 19817 5503 1 17 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.980 -0.380 19817 5504 1 17 . 1 1 100 100 LEU H H 100 8.170 8.170 7.575 0.595 19817 5505 1 17 . 1 1 101 101 PHE N N 101 120.490 120.490 119.529 0.961 19817 5506 1 17 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.763 1.507 19817 5507 1 17 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.151 1.049 19817 5508 1 17 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.560 0.640 19817 5509 1 17 . 1 1 101 101 PHE H H 101 8.760 8.760 7.965 0.795 19817 5510 1 17 . 1 1 102 102 ARG N N 102 115.520 115.520 119.070 -3.550 19817 5511 1 17 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.723 0.247 19817 5512 1 17 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.620 -0.420 19817 5513 1 17 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.171 0.229 19817 5514 1 17 . 1 1 102 102 ARG H H 102 7.470 7.470 7.598 -0.128 19817 5515 1 17 . 1 1 103 103 MET N N 103 114.150 114.150 117.533 -3.383 19817 5516 1 17 . 1 1 103 103 MET HA H 103 4.370 4.370 4.078 0.292 19817 5517 1 17 . 1 1 103 103 MET CA C 103 55.900 55.900 59.344 -3.444 19817 5518 1 17 . 1 1 103 103 MET CB C 103 34.300 34.300 32.551 1.749 19817 5519 1 17 . 1 1 103 103 MET H H 103 7.590 7.590 7.590 0.000 19817 5520 1 17 . 1 1 104 104 PHE N N 104 115.060 115.060 119.393 -4.333 19817 5521 1 17 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.410 -0.120 19817 5522 1 17 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.227 -0.827 19817 5523 1 17 . 1 1 104 104 PHE CB C 104 41.700 41.700 38.998 2.702 19817 5524 1 17 . 1 1 104 104 PHE H H 104 7.380 7.380 8.311 -0.931 19817 5525 1 17 . 1 1 105 105 ASP N N 105 116.710 116.710 117.957 -1.247 19817 5526 1 17 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.725 -0.305 19817 5527 1 17 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.232 -1.832 19817 5528 1 17 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.320 -2.320 19817 5529 1 17 . 1 1 105 105 ASP H H 105 7.270 7.270 7.811 -0.541 19817 5530 1 17 . 1 1 106 106 LYS N N 106 124.270 124.270 125.231 -0.961 19817 5531 1 17 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.284 -0.254 19817 5532 1 17 . 1 1 106 106 LYS C C 106 113.428 113.428 177.377 -63.949 19817 5533 1 17 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.259 0.941 19817 5534 1 17 . 1 1 106 106 LYS CB C 106 32.900 32.900 33.250 -0.350 19817 5535 1 17 . 1 1 106 106 LYS H H 106 7.510 7.510 8.799 -1.289 19817 5536 1 17 . 1 1 107 107 ASN N N 107 113.600 113.600 117.496 -3.896 19817 5537 1 17 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.677 0.053 19817 5538 1 17 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.856 -1.156 19817 5539 1 17 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.451 -1.551 19817 5540 1 17 . 1 1 107 107 ASN H H 107 8.000 8.000 7.935 0.065 19817 5541 1 17 . 1 1 108 108 ALA N N 108 121.600 121.600 118.782 2.818 19817 5542 1 17 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.019 0.051 19817 5543 1 17 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.429 -0.129 19817 5544 1 17 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.826 0.274 19817 5545 1 17 . 1 1 108 108 ALA H H 108 7.810 7.810 8.031 -0.221 19817 5546 1 17 . 1 1 109 109 ASP N N 109 118.480 118.480 117.583 0.897 19817 5547 1 17 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.587 0.113 19817 5548 1 17 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.602 -0.402 19817 5549 1 17 . 1 1 109 109 ASP CB C 109 41.000 41.000 40.949 0.051 19817 5550 1 17 . 1 1 109 109 ASP H H 109 8.520 8.520 8.251 0.269 19817 5551 1 17 . 1 1 110 110 GLY N N 110 112.250 112.250 106.868 5.382 19817 5552 1 17 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.531 -0.531 19817 5553 1 17 . 1 1 110 110 GLY H H 110 10.400 10.400 8.748 1.652 19817 5554 1 17 . 1 1 111 111 TYR N N 111 115.590 115.590 118.237 -2.647 19817 5555 1 17 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.480 -0.310 19817 5556 1 17 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.197 -1.097 19817 5557 1 17 . 1 1 111 111 TYR CB C 111 43.100 43.100 42.478 0.622 19817 5558 1 17 . 1 1 111 111 TYR H H 111 8.000 8.000 8.561 -0.561 19817 5559 1 17 . 1 1 112 112 ILE N N 112 125.560 125.560 122.133 3.427 19817 5560 1 17 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.666 0.094 19817 5561 1 17 . 1 1 112 112 ILE CA C 112 60.600 60.600 60.475 0.125 19817 5562 1 17 . 1 1 112 112 ILE CB C 112 39.000 39.000 39.733 -0.733 19817 5563 1 17 . 1 1 112 112 ILE H H 112 9.830 9.830 9.079 0.751 19817 5564 1 17 . 1 1 113 113 ASP N N 113 128.350 128.350 125.616 2.734 19817 5565 1 17 . 1 1 113 113 ASP HA H 113 4.960 4.960 4.993 -0.033 19817 5566 1 17 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.399 -0.399 19817 5567 1 17 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.117 -1.917 19817 5568 1 17 . 1 1 113 113 ASP H H 113 9.030 9.030 8.693 0.337 19817 5569 1 17 . 1 1 114 114 LEU N N 114 118.300 118.300 123.806 -5.506 19817 5570 1 17 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.123 -0.143 19817 5571 1 17 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.115 0.685 19817 5572 1 17 . 1 1 114 114 LEU CB C 114 42.600 42.600 42.444 0.155 19817 5573 1 17 . 1 1 114 114 LEU H H 114 8.530 8.530 8.819 -0.289 19817 5574 1 17 . 1 1 115 115 ASP N N 115 118.300 118.300 118.121 0.179 19817 5575 1 17 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.336 0.034 19817 5576 1 17 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.499 0.501 19817 5577 1 17 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.176 0.464 19817 5578 1 17 . 1 1 115 115 ASP H H 115 7.920 7.920 8.489 -0.569 19817 5579 1 17 . 1 1 116 116 GLU N N 116 121.400 121.400 119.964 1.436 19817 5580 1 17 . 1 1 116 116 GLU HA H 116 4.630 4.630 3.988 0.642 19817 5581 1 17 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.159 -0.659 19817 5582 1 17 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.455 -0.055 19817 5583 1 17 . 1 1 116 116 GLU H H 116 8.670 8.670 7.902 0.768 19817 5584 1 17 . 1 1 117 117 LEU N N 117 121.200 121.200 120.828 0.372 19817 5585 1 17 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.003 -0.013 19817 5586 1 17 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.759 0.701 19817 5587 1 17 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.078 -0.028 19817 5588 1 17 . 1 1 117 117 LEU H H 117 8.670 8.670 8.161 0.509 19817 5589 1 17 . 1 1 118 118 LYS N N 118 118.800 118.800 119.676 -0.876 19817 5590 1 17 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.891 -0.071 19817 5591 1 17 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.971 1.329 19817 5592 1 17 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.099 0.401 19817 5593 1 17 . 1 1 118 118 LYS H H 118 8.610 8.610 7.608 1.002 19817 5594 1 17 . 1 1 119 119 ILE N N 119 119.400 119.400 119.208 0.192 19817 5595 1 17 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.943 -0.133 19817 5596 1 17 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.922 0.178 19817 5597 1 17 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.729 0.471 19817 5598 1 17 . 1 1 119 119 ILE H H 119 8.180 8.180 7.625 0.555 19817 5599 1 17 . 1 1 120 120 MET N N 120 119.340 119.340 118.174 1.166 19817 5600 1 17 . 1 1 120 120 MET HA H 120 3.360 3.360 4.019 -0.659 19817 5601 1 17 . 1 1 120 120 MET CA C 120 57.100 57.100 59.119 -2.019 19817 5602 1 17 . 1 1 120 120 MET CB C 120 31.600 31.600 32.162 -0.562 19817 5603 1 17 . 1 1 120 120 MET H H 120 7.500 7.500 7.301 0.199 19817 5604 1 17 . 1 1 121 121 LEU N N 121 117.920 117.920 120.829 -2.909 19817 5605 1 17 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.059 -0.028 19817 5606 1 17 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.895 -0.295 19817 5607 1 17 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.513 1.187 19817 5608 1 17 . 1 1 121 121 LEU H H 121 8.520 8.520 7.785 0.735 19817 5609 1 17 . 1 1 122 122 GLN N N 122 120.780 120.780 117.951 2.829 19817 5610 1 17 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.017 0.093 19817 5611 1 17 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.505 0.295 19817 5612 1 17 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.057 -0.057 19817 5613 1 17 . 1 1 122 122 GLN H H 122 8.810 8.810 8.674 0.136 19817 5614 1 17 . 1 1 123 123 ALA N N 123 121.220 121.220 121.961 -0.741 19817 5615 1 17 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.142 0.158 19817 5616 1 17 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.356 -0.756 19817 5617 1 17 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.276 0.224 19817 5618 1 17 . 1 1 123 123 ALA H H 123 7.580 7.580 7.669 -0.089 19817 5619 1 17 . 1 1 124 124 THR N N 124 106.720 106.720 112.688 -5.968 19817 5620 1 17 . 1 1 124 124 THR HA H 124 4.050 4.050 4.088 -0.038 19817 5621 1 17 . 1 1 124 124 THR CA C 124 64.200 64.200 64.779 -0.579 19817 5622 1 17 . 1 1 124 124 THR CB C 124 71.300 71.300 69.117 2.183 19817 5623 1 17 . 1 1 124 124 THR H H 124 7.490 7.490 7.681 -0.192 19817 5624 1 17 . 1 1 125 125 GLY N N 125 108.350 108.350 109.088 -0.738 19817 5625 1 17 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.896 0.704 19817 5626 1 17 . 1 1 125 125 GLY H H 125 7.680 7.680 7.816 -0.137 19817 5627 1 17 . 1 1 126 126 GLU N N 126 120.100 120.100 120.821 -0.721 19817 5628 1 17 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.468 -0.188 19817 5629 1 17 . 1 1 126 126 GLU CA C 126 55.200 55.200 55.453 -0.253 19817 5630 1 17 . 1 1 126 126 GLU CB C 126 31.000 31.000 31.256 -0.256 19817 5631 1 17 . 1 1 126 126 GLU H H 126 7.500 7.500 7.683 -0.183 19817 5632 1 17 . 1 1 127 127 THR N N 127 119.830 119.830 119.464 0.366 19817 5633 1 17 . 1 1 127 127 THR HA H 127 4.170 4.170 4.326 -0.156 19817 5634 1 17 . 1 1 127 127 THR CA C 127 63.700 63.700 62.678 1.022 19817 5635 1 17 . 1 1 127 127 THR CB C 127 68.800 68.800 69.100 -0.300 19817 5636 1 17 . 1 1 127 127 THR H H 127 8.650 8.650 8.407 0.243 19817 5637 1 17 . 1 1 128 128 ILE N N 128 128.630 128.630 126.965 1.665 19817 5638 1 17 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.279 0.361 19817 5639 1 17 . 1 1 128 128 ILE CA C 128 57.700 57.700 58.829 -1.129 19817 5640 1 17 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.534 -1.334 19817 5641 1 17 . 1 1 128 128 ILE H H 128 8.370 8.370 8.487 -0.117 19817 5642 1 17 . 1 1 129 129 THR N N 129 119.830 119.830 121.336 -1.506 19817 5643 1 17 . 1 1 129 129 THR HA H 129 4.750 4.750 4.498 0.252 19817 5644 1 17 . 1 1 129 129 THR CA C 129 59.700 59.700 61.565 -1.865 19817 5645 1 17 . 1 1 129 129 THR CB C 129 72.300 72.300 70.261 2.039 19817 5646 1 17 . 1 1 129 129 THR H H 129 9.680 9.680 8.941 0.739 19817 5647 1 17 . 1 1 130 130 GLU N N 130 119.760 119.760 123.830 -4.070 19817 5648 1 17 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.984 0.046 19817 5649 1 17 . 1 1 130 130 GLU CA C 130 59.800 59.800 60.684 -0.884 19817 5650 1 17 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.009 0.091 19817 5651 1 17 . 1 1 130 130 GLU H H 130 8.920 8.920 9.020 -0.100 19817 5652 1 17 . 1 1 131 131 ASP N N 131 117.750 117.750 118.269 -0.519 19817 5653 1 17 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.396 -0.016 19817 5654 1 17 . 1 1 131 131 ASP CA C 131 57.300 57.300 58.153 -0.853 19817 5655 1 17 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.918 0.882 19817 5656 1 17 . 1 1 131 131 ASP H H 131 7.830 7.830 8.757 -0.927 19817 5657 1 17 . 1 1 132 132 ASP N N 132 119.880 119.880 121.022 -1.142 19817 5658 1 17 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.442 -0.222 19817 5659 1 17 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.224 0.976 19817 5660 1 17 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.250 1.850 19817 5661 1 17 . 1 1 132 132 ASP H H 132 7.570 7.570 7.498 0.072 19817 5662 1 17 . 1 1 133 133 ILE N N 133 116.580 116.580 120.347 -3.767 19817 5663 1 17 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.685 -0.345 19817 5664 1 17 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.463 0.037 19817 5665 1 17 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.905 0.795 19817 5666 1 17 . 1 1 133 133 ILE H H 133 7.180 7.180 7.975 -0.795 19817 5667 1 17 . 1 1 134 134 GLU N N 134 117.740 117.740 120.940 -3.200 19817 5668 1 17 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.947 -0.057 19817 5669 1 17 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.853 -0.253 19817 5670 1 17 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.695 0.406 19817 5671 1 17 . 1 1 134 134 GLU H H 134 8.150 8.150 8.517 -0.367 19817 5672 1 17 . 1 1 135 135 GLU N N 135 116.300 116.300 119.178 -2.878 19817 5673 1 17 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.123 0.097 19817 5674 1 17 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.761 0.139 19817 5675 1 17 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.364 -0.064 19817 5676 1 17 . 1 1 135 135 GLU H H 135 8.430 8.430 8.677 -0.247 19817 5677 1 17 . 1 1 136 136 LEU N N 136 120.700 120.700 122.133 -1.433 19817 5678 1 17 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.281 -0.021 19817 5679 1 17 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.718 -0.318 19817 5680 1 17 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.050 -0.350 19817 5681 1 17 . 1 1 136 136 LEU H H 136 8.100 8.100 7.926 0.174 19817 5682 1 17 . 1 1 137 137 MET N N 137 117.930 117.930 117.809 0.121 19817 5683 1 17 . 1 1 137 137 MET HA H 137 4.290 4.290 4.184 0.106 19817 5684 1 17 . 1 1 137 137 MET CA C 137 57.700 57.700 59.803 -2.103 19817 5685 1 17 . 1 1 137 137 MET CB C 137 30.600 30.600 32.326 -1.726 19817 5686 1 17 . 1 1 137 137 MET H H 137 8.180 8.180 8.351 -0.171 19817 5687 1 17 . 1 1 138 138 LYS N N 138 117.370 117.370 119.755 -2.385 19817 5688 1 17 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.987 0.083 19817 5689 1 17 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.750 -0.750 19817 5690 1 17 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.153 0.447 19817 5691 1 17 . 1 1 138 138 LYS H H 138 8.060 8.060 8.080 -0.020 19817 5692 1 17 . 1 1 139 139 ASP N N 139 117.330 117.330 117.627 -0.297 19817 5693 1 17 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.402 -0.022 19817 5694 1 17 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.359 0.341 19817 5695 1 17 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.595 2.605 19817 5696 1 17 . 1 1 139 139 ASP H H 139 7.650 7.650 7.664 -0.014 19817 5697 1 17 . 1 1 140 140 GLY N N 140 101.850 101.850 106.174 -4.324 19817 5698 1 17 . 1 1 140 140 GLY CA C 140 46.200 46.200 45.143 1.057 19817 5699 1 17 . 1 1 140 140 GLY H H 140 7.850 7.850 7.438 0.412 19817 5700 1 17 . 1 1 141 141 ASP N N 141 120.420 120.420 123.912 -3.492 19817 5701 1 17 . 1 1 141 141 ASP HA H 141 4.570 4.570 5.059 -0.489 19817 5702 1 17 . 1 1 141 141 ASP CA C 141 53.200 53.200 52.756 0.444 19817 5703 1 17 . 1 1 141 141 ASP CB C 141 39.500 39.500 39.519 -0.019 19817 5704 1 17 . 1 1 141 141 ASP H H 141 8.500 8.500 8.634 -0.134 19817 5705 1 17 . 1 1 142 142 LYS N N 142 125.890 125.890 123.222 2.668 19817 5706 1 17 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.027 0.123 19817 5707 1 17 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.685 -0.785 19817 5708 1 17 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.022 0.978 19817 5709 1 17 . 1 1 142 142 LYS H H 142 7.740 7.740 8.521 -0.781 19817 5710 1 17 . 1 1 143 143 ASN N N 143 113.610 113.610 117.049 -3.439 19817 5711 1 17 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.714 0.086 19817 5712 1 17 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.379 -1.679 19817 5713 1 17 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.880 -1.680 19817 5714 1 17 . 1 1 143 143 ASN H H 143 8.120 8.120 7.865 0.255 19817 5715 1 17 . 1 1 144 144 ASN N N 144 115.900 115.900 115.513 0.387 19817 5716 1 17 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.557 -0.057 19817 5717 1 17 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.053 1.047 19817 5718 1 17 . 1 1 144 144 ASN CB C 144 37.800 37.800 36.928 0.872 19817 5719 1 17 . 1 1 144 144 ASN H H 144 7.720 7.720 7.998 -0.278 19817 5720 1 17 . 1 1 145 145 ASP N N 145 118.570 118.570 115.673 2.897 19817 5721 1 17 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.767 -0.057 19817 5722 1 17 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.284 -0.284 19817 5723 1 17 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.864 0.136 19817 5724 1 17 . 1 1 145 145 ASP H H 145 8.680 8.680 8.185 0.495 19817 5725 1 17 . 1 1 146 146 GLY N N 146 112.940 112.940 109.063 3.877 19817 5726 1 17 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.551 0.149 19817 5727 1 17 . 1 1 146 146 GLY H H 146 10.320 10.320 8.972 1.348 19817 5728 1 17 . 1 1 147 147 ARG N N 147 115.440 115.440 117.875 -2.435 19817 5729 1 17 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.760 0.150 19817 5730 1 17 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.230 -0.230 19817 5731 1 17 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.549 0.851 19817 5732 1 17 . 1 1 147 147 ARG H H 147 7.690 7.690 8.190 -0.500 19817 5733 1 17 . 1 1 148 148 ILE N N 148 126.090 126.090 120.574 5.516 19817 5734 1 17 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.645 0.405 19817 5735 1 17 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.739 -0.139 19817 5736 1 17 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.666 0.334 19817 5737 1 17 . 1 1 148 148 ILE H H 148 9.430 9.430 8.273 1.157 19817 5738 1 17 . 1 1 149 149 ASP N N 149 129.170 129.170 128.216 0.954 19817 5739 1 17 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.888 0.272 19817 5740 1 17 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.498 0.002 19817 5741 1 17 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.832 -1.932 19817 5742 1 17 . 1 1 149 149 ASP H H 149 9.390 9.390 9.020 0.370 19817 5743 1 17 . 1 1 150 150 TYR N N 150 118.600 118.600 121.965 -3.365 19817 5744 1 17 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.662 0.718 19817 5745 1 17 . 1 1 150 150 TYR CA C 150 62.200 62.200 60.836 1.364 19817 5746 1 17 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.032 0.168 19817 5747 1 17 . 1 1 150 150 TYR H H 150 8.420 8.420 8.677 -0.257 19817 5748 1 17 . 1 1 151 151 ASP N N 151 118.060 118.060 118.202 -0.142 19817 5749 1 17 . 1 1 151 151 ASP HA H 151 4.080 4.080 3.932 0.148 19817 5750 1 17 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.443 0.457 19817 5751 1 17 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.339 0.261 19817 5752 1 17 . 1 1 151 151 ASP H H 151 7.740 7.740 8.441 -0.701 19817 5753 1 17 . 1 1 152 152 GLU N N 152 120.480 120.480 119.906 0.574 19817 5754 1 17 . 1 1 152 152 GLU HA H 152 4.030 4.030 3.995 0.035 19817 5755 1 17 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.084 -0.384 19817 5756 1 17 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.661 0.039 19817 5757 1 17 . 1 1 152 152 GLU H H 152 8.880 8.880 7.969 0.911 19817 5758 1 17 . 1 1 153 153 PHE N N 153 124.990 124.990 122.071 2.919 19817 5759 1 17 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.543 -0.543 19817 5760 1 17 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.324 0.476 19817 5761 1 17 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.395 0.405 19817 5762 1 17 . 1 1 153 153 PHE H H 153 9.280 9.280 8.620 0.660 19817 5763 1 17 . 1 1 154 154 LEU N N 154 117.780 117.780 118.342 -0.562 19817 5764 1 17 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.808 -0.158 19817 5765 1 17 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.382 0.818 19817 5766 1 17 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.972 0.428 19817 5767 1 17 . 1 1 154 154 LEU H H 154 7.880 7.880 8.113 -0.233 19817 5768 1 17 . 1 1 155 155 GLU N N 155 116.556 116.556 118.908 -2.352 19817 5769 1 17 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.875 0.175 19817 5770 1 17 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.994 -0.094 19817 5771 1 17 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.722 0.778 19817 5772 1 17 . 1 1 155 155 GLU H H 155 6.910 6.910 7.570 -0.660 19817 5773 1 17 . 1 1 156 156 PHE N N 156 121.800 121.800 118.916 2.884 19817 5774 1 17 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.136 -0.016 19817 5775 1 17 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.480 -2.880 19817 5776 1 17 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.278 2.622 19817 5777 1 17 . 1 1 156 156 PHE H H 156 8.610 8.610 7.538 1.072 19817 5778 1 17 . 1 1 157 157 MET N N 157 111.800 111.800 117.160 -5.360 19817 5779 1 17 . 1 1 157 157 MET HA H 157 4.360 4.360 4.122 0.238 19817 5780 1 17 . 1 1 157 157 MET CA C 157 53.300 53.300 58.156 -4.856 19817 5781 1 17 . 1 1 157 157 MET CB C 157 32.500 32.500 32.368 0.132 19817 5782 1 17 . 1 1 157 157 MET H H 157 7.490 7.490 7.537 -0.047 19817 5783 1 17 . 1 1 158 158 LYS N N 158 121.970 121.970 118.386 3.584 19817 5784 1 17 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.017 -0.067 19817 5785 1 17 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.666 0.633 19817 5786 1 17 . 1 1 158 158 LYS CB C 158 32.400 32.400 31.925 0.475 19817 5787 1 17 . 1 1 158 158 LYS H H 158 7.110 7.110 7.485 -0.375 19817 5788 1 17 . 1 1 159 159 ASP N N 159 116.800 116.800 121.717 -4.917 19817 5789 1 17 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.639 -0.199 19817 5790 1 17 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.796 0.104 19817 5791 1 17 . 1 1 159 159 ASP CB C 159 40.400 40.400 38.861 1.539 19817 5792 1 17 . 1 1 159 159 ASP H H 159 8.470 8.470 8.118 0.352 19817 5793 1 17 . 1 1 160 160 VAL N N 160 119.800 119.800 115.905 3.895 19817 5794 1 17 . 1 1 160 160 VAL HA H 160 3.790 3.790 3.981 -0.191 19817 5795 1 17 . 1 1 160 160 VAL CA C 160 63.300 63.300 64.111 -0.811 19817 5796 1 17 . 1 1 160 160 VAL CB C 160 32.100 32.100 32.405 -0.305 19817 5797 1 17 . 1 1 160 160 VAL H H 160 7.270 7.270 7.648 -0.378 19817 5798 1 18 . 1 1 91 91 GLY N N 91 123.830 123.830 108.627 15.203 19817 5799 1 18 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.270 -0.270 19817 5800 1 18 . 1 1 91 91 GLY H H 91 6.020 6.020 7.958 -1.938 19817 5801 1 18 . 1 1 92 92 LYS N N 92 121.100 121.100 118.855 2.245 19817 5802 1 18 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.568 -0.138 19817 5803 1 18 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.445 -0.445 19817 5804 1 18 . 1 1 92 92 LYS CB C 92 33.800 33.800 34.967 -1.167 19817 5805 1 18 . 1 1 92 92 LYS H H 92 8.610 8.610 9.533 -0.923 19817 5806 1 18 . 1 1 93 93 SER N N 93 117.190 117.190 116.045 1.145 19817 5807 1 18 . 1 1 93 93 SER HA H 93 4.470 4.470 4.768 -0.298 19817 5808 1 18 . 1 1 93 93 SER CA C 93 58.100 58.100 56.607 1.493 19817 5809 1 18 . 1 1 93 93 SER CB C 93 65.000 65.000 65.733 -0.733 19817 5810 1 18 . 1 1 93 93 SER H H 93 8.760 8.760 7.825 0.935 19817 5811 1 18 . 1 1 94 94 GLU N N 94 122.350 122.350 121.917 0.433 19817 5812 1 18 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.155 -0.155 19817 5813 1 18 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.544 0.457 19817 5814 1 18 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.808 -0.708 19817 5815 1 18 . 1 1 94 94 GLU H H 94 8.890 8.890 8.910 -0.020 19817 5816 1 18 . 1 1 95 95 GLU N N 95 119.160 119.160 119.343 -0.183 19817 5817 1 18 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.119 -0.029 19817 5818 1 18 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.597 0.103 19817 5819 1 18 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.673 0.527 19817 5820 1 18 . 1 1 95 95 GLU H H 95 8.610 8.610 9.099 -0.489 19817 5821 1 18 . 1 1 96 96 GLU N N 96 120.300 120.300 120.435 -0.135 19817 5822 1 18 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.178 0.112 19817 5823 1 18 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.067 -0.067 19817 5824 1 18 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.524 0.676 19817 5825 1 18 . 1 1 96 96 GLU H H 96 7.930 7.930 7.667 0.263 19817 5826 1 18 . 1 1 97 97 LEU N N 97 119.340 119.340 119.471 -0.131 19817 5827 1 18 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.218 0.052 19817 5828 1 18 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.169 0.331 19817 5829 1 18 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.940 -0.040 19817 5830 1 18 . 1 1 97 97 LEU H H 97 8.520 8.520 7.481 1.039 19817 5831 1 18 . 1 1 98 98 SER N N 98 115.800 115.800 114.755 1.045 19817 5832 1 18 . 1 1 98 98 SER HA H 98 4.280 4.280 4.421 -0.141 19817 5833 1 18 . 1 1 98 98 SER CA C 98 62.300 62.300 62.102 0.198 19817 5834 1 18 . 1 1 98 98 SER CB C 98 62.500 62.500 62.814 -0.314 19817 5835 1 18 . 1 1 98 98 SER H H 98 8.700 8.700 9.103 -0.403 19817 5836 1 18 . 1 1 99 99 ASP N N 99 121.600 121.600 124.255 -2.655 19817 5837 1 18 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.440 0.260 19817 5838 1 18 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.640 0.860 19817 5839 1 18 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.673 0.727 19817 5840 1 18 . 1 1 99 99 ASP H H 99 7.510 7.510 8.638 -1.128 19817 5841 1 18 . 1 1 100 100 LEU N N 100 117.900 117.900 120.680 -2.780 19817 5842 1 18 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.183 -0.033 19817 5843 1 18 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.872 0.428 19817 5844 1 18 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.237 -0.637 19817 5845 1 18 . 1 1 100 100 LEU H H 100 8.170 8.170 7.632 0.538 19817 5846 1 18 . 1 1 101 101 PHE N N 101 120.490 120.490 119.314 1.176 19817 5847 1 18 . 1 1 101 101 PHE HA H 101 4.270 4.270 3.111 1.159 19817 5848 1 18 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.291 0.909 19817 5849 1 18 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.475 0.725 19817 5850 1 18 . 1 1 101 101 PHE H H 101 8.760 8.760 7.533 1.227 19817 5851 1 18 . 1 1 102 102 ARG N N 102 115.520 115.520 118.769 -3.249 19817 5852 1 18 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.722 0.248 19817 5853 1 18 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.628 -0.428 19817 5854 1 18 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.115 0.285 19817 5855 1 18 . 1 1 102 102 ARG H H 102 7.470 7.470 8.729 -1.259 19817 5856 1 18 . 1 1 103 103 MET N N 103 114.150 114.150 118.066 -3.916 19817 5857 1 18 . 1 1 103 103 MET HA H 103 4.370 4.370 3.990 0.380 19817 5858 1 18 . 1 1 103 103 MET CA C 103 55.900 55.900 59.383 -3.483 19817 5859 1 18 . 1 1 103 103 MET CB C 103 34.300 34.300 32.329 1.971 19817 5860 1 18 . 1 1 103 103 MET H H 103 7.590 7.590 8.247 -0.657 19817 5861 1 18 . 1 1 104 104 PHE N N 104 115.060 115.060 119.301 -4.241 19817 5862 1 18 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.304 -0.014 19817 5863 1 18 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.268 -0.868 19817 5864 1 18 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.132 2.568 19817 5865 1 18 . 1 1 104 104 PHE H H 104 7.380 7.380 8.037 -0.657 19817 5866 1 18 . 1 1 105 105 ASP N N 105 116.710 116.710 118.588 -1.878 19817 5867 1 18 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.777 -0.357 19817 5868 1 18 . 1 1 105 105 ASP CA C 105 52.400 52.400 53.844 -1.444 19817 5869 1 18 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.463 -1.463 19817 5870 1 18 . 1 1 105 105 ASP H H 105 7.270 7.270 7.967 -0.697 19817 5871 1 18 . 1 1 106 106 LYS N N 106 124.270 124.270 125.945 -1.675 19817 5872 1 18 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.167 -0.137 19817 5873 1 18 . 1 1 106 106 LYS C C 106 113.428 113.428 177.706 -64.278 19817 5874 1 18 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.826 0.374 19817 5875 1 18 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.244 0.656 19817 5876 1 18 . 1 1 106 106 LYS H H 106 7.510 7.510 8.399 -0.889 19817 5877 1 18 . 1 1 107 107 ASN N N 107 113.600 113.600 116.188 -2.588 19817 5878 1 18 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.516 0.214 19817 5879 1 18 . 1 1 107 107 ASN CA C 107 51.700 51.700 54.047 -2.347 19817 5880 1 18 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.938 -2.038 19817 5881 1 18 . 1 1 107 107 ASN H H 107 8.000 8.000 8.091 -0.091 19817 5882 1 18 . 1 1 108 108 ALA N N 108 121.600 121.600 118.712 2.888 19817 5883 1 18 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.125 -0.055 19817 5884 1 18 . 1 1 108 108 ALA CA C 108 53.300 53.300 52.795 0.505 19817 5885 1 18 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.244 0.856 19817 5886 1 18 . 1 1 108 108 ALA H H 108 7.810 7.810 7.710 0.100 19817 5887 1 18 . 1 1 109 109 ASP N N 109 118.480 118.480 117.878 0.602 19817 5888 1 18 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.597 0.103 19817 5889 1 18 . 1 1 109 109 ASP CA C 109 53.200 53.200 53.578 -0.378 19817 5890 1 18 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.236 -0.236 19817 5891 1 18 . 1 1 109 109 ASP H H 109 8.520 8.520 8.107 0.413 19817 5892 1 18 . 1 1 110 110 GLY N N 110 112.250 112.250 107.146 5.104 19817 5893 1 18 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.226 -0.226 19817 5894 1 18 . 1 1 110 110 GLY H H 110 10.400 10.400 8.831 1.569 19817 5895 1 18 . 1 1 111 111 TYR N N 111 115.590 115.590 118.940 -3.350 19817 5896 1 18 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.535 -0.365 19817 5897 1 18 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.823 -0.723 19817 5898 1 18 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.986 1.114 19817 5899 1 18 . 1 1 111 111 TYR H H 111 8.000 8.000 8.252 -0.252 19817 5900 1 18 . 1 1 112 112 ILE N N 112 125.560 125.560 123.537 2.023 19817 5901 1 18 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.220 0.540 19817 5902 1 18 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.453 -0.854 19817 5903 1 18 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.279 0.721 19817 5904 1 18 . 1 1 112 112 ILE H H 112 9.830 9.830 8.840 0.990 19817 5905 1 18 . 1 1 113 113 ASP N N 113 128.350 128.350 126.981 1.369 19817 5906 1 18 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.118 -0.158 19817 5907 1 18 . 1 1 113 113 ASP CA C 113 52.000 52.000 53.514 -1.514 19817 5908 1 18 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.728 -1.528 19817 5909 1 18 . 1 1 113 113 ASP H H 113 9.030 9.030 9.082 -0.052 19817 5910 1 18 . 1 1 114 114 LEU N N 114 118.300 118.300 121.544 -3.244 19817 5911 1 18 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.008 -0.028 19817 5912 1 18 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.549 0.251 19817 5913 1 18 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.342 1.258 19817 5914 1 18 . 1 1 114 114 LEU H H 114 8.530 8.530 8.825 -0.295 19817 5915 1 18 . 1 1 115 115 ASP N N 115 118.300 118.300 119.308 -1.008 19817 5916 1 18 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.410 -0.040 19817 5917 1 18 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.216 0.784 19817 5918 1 18 . 1 1 115 115 ASP CB C 115 40.640 40.640 39.670 0.969 19817 5919 1 18 . 1 1 115 115 ASP H H 115 7.920 7.920 8.650 -0.730 19817 5920 1 18 . 1 1 116 116 GLU N N 116 121.400 121.400 120.638 0.762 19817 5921 1 18 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.055 0.575 19817 5922 1 18 . 1 1 116 116 GLU CA C 116 58.500 58.500 58.879 -0.379 19817 5923 1 18 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.407 -0.007 19817 5924 1 18 . 1 1 116 116 GLU H H 116 8.670 8.670 7.504 1.166 19817 5925 1 18 . 1 1 117 117 LEU N N 117 121.200 121.200 120.628 0.572 19817 5926 1 18 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.152 -0.162 19817 5927 1 18 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.021 0.439 19817 5928 1 18 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.143 -0.093 19817 5929 1 18 . 1 1 117 117 LEU H H 117 8.670 8.670 8.123 0.547 19817 5930 1 18 . 1 1 118 118 LYS N N 118 118.800 118.800 119.358 -0.558 19817 5931 1 18 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.906 -0.086 19817 5932 1 18 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.814 1.486 19817 5933 1 18 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.051 0.449 19817 5934 1 18 . 1 1 118 118 LYS H H 118 8.610 8.610 7.531 1.079 19817 5935 1 18 . 1 1 119 119 ILE N N 119 119.400 119.400 119.437 -0.037 19817 5936 1 18 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.726 0.084 19817 5937 1 18 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.790 0.310 19817 5938 1 18 . 1 1 119 119 ILE CB C 119 38.200 38.200 36.794 1.406 19817 5939 1 18 . 1 1 119 119 ILE H H 119 8.180 8.180 7.577 0.603 19817 5940 1 18 . 1 1 120 120 MET N N 120 119.340 119.340 117.472 1.868 19817 5941 1 18 . 1 1 120 120 MET HA H 120 3.360 3.360 4.170 -0.810 19817 5942 1 18 . 1 1 120 120 MET CA C 120 57.100 57.100 58.832 -1.732 19817 5943 1 18 . 1 1 120 120 MET CB C 120 31.600 31.600 31.811 -0.211 19817 5944 1 18 . 1 1 120 120 MET H H 120 7.500 7.500 7.393 0.107 19817 5945 1 18 . 1 1 121 121 LEU N N 121 117.920 117.920 121.256 -3.336 19817 5946 1 18 . 1 1 121 121 LEU HA H 121 4.030 4.030 3.999 0.031 19817 5947 1 18 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.535 0.065 19817 5948 1 18 . 1 1 121 121 LEU CB C 121 41.700 41.700 41.108 0.592 19817 5949 1 18 . 1 1 121 121 LEU H H 121 8.520 8.520 7.880 0.640 19817 5950 1 18 . 1 1 122 122 GLN N N 122 120.780 120.780 119.652 1.128 19817 5951 1 18 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.924 0.186 19817 5952 1 18 . 1 1 122 122 GLN CA C 122 58.800 58.800 59.060 -0.260 19817 5953 1 18 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.584 -0.584 19817 5954 1 18 . 1 1 122 122 GLN H H 122 8.810 8.810 8.908 -0.098 19817 5955 1 18 . 1 1 123 123 ALA N N 123 121.220 121.220 121.890 -0.670 19817 5956 1 18 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.134 0.166 19817 5957 1 18 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.926 -1.326 19817 5958 1 18 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.256 0.244 19817 5959 1 18 . 1 1 123 123 ALA H H 123 7.580 7.580 7.931 -0.351 19817 5960 1 18 . 1 1 124 124 THR N N 124 106.720 106.720 109.812 -3.092 19817 5961 1 18 . 1 1 124 124 THR HA H 124 4.050 4.050 4.208 -0.158 19817 5962 1 18 . 1 1 124 124 THR CA C 124 64.200 64.200 62.645 1.554 19817 5963 1 18 . 1 1 124 124 THR CB C 124 71.300 71.300 69.447 1.853 19817 5964 1 18 . 1 1 124 124 THR H H 124 7.490 7.490 7.676 -0.186 19817 5965 1 18 . 1 1 125 125 GLY N N 125 108.350 108.350 110.240 -1.890 19817 5966 1 18 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.881 0.719 19817 5967 1 18 . 1 1 125 125 GLY H H 125 7.680 7.680 7.863 -0.183 19817 5968 1 18 . 1 1 126 126 GLU N N 126 120.100 120.100 121.780 -1.680 19817 5969 1 18 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.672 -0.392 19817 5970 1 18 . 1 1 126 126 GLU CA C 126 55.200 55.200 54.822 0.378 19817 5971 1 18 . 1 1 126 126 GLU CB C 126 31.000 31.000 31.031 -0.031 19817 5972 1 18 . 1 1 126 126 GLU H H 126 7.500 7.500 7.746 -0.246 19817 5973 1 18 . 1 1 127 127 THR N N 127 119.830 119.830 117.453 2.377 19817 5974 1 18 . 1 1 127 127 THR HA H 127 4.170 4.170 4.464 -0.294 19817 5975 1 18 . 1 1 127 127 THR CA C 127 63.700 63.700 62.245 1.455 19817 5976 1 18 . 1 1 127 127 THR CB C 127 68.800 68.800 69.530 -0.730 19817 5977 1 18 . 1 1 127 127 THR H H 127 8.650 8.650 8.327 0.323 19817 5978 1 18 . 1 1 128 128 ILE N N 128 128.630 128.630 124.900 3.730 19817 5979 1 18 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.417 0.223 19817 5980 1 18 . 1 1 128 128 ILE CA C 128 57.700 57.700 58.992 -1.292 19817 5981 1 18 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.547 -1.347 19817 5982 1 18 . 1 1 128 128 ILE H H 128 8.370 8.370 8.328 0.042 19817 5983 1 18 . 1 1 129 129 THR N N 129 119.830 119.830 118.022 1.808 19817 5984 1 18 . 1 1 129 129 THR HA H 129 4.750 4.750 4.469 0.281 19817 5985 1 18 . 1 1 129 129 THR CA C 129 59.700 59.700 60.620 -0.920 19817 5986 1 18 . 1 1 129 129 THR CB C 129 72.300 72.300 70.211 2.089 19817 5987 1 18 . 1 1 129 129 THR H H 129 9.680 9.680 8.218 1.462 19817 5988 1 18 . 1 1 130 130 GLU N N 130 119.760 119.760 121.820 -2.060 19817 5989 1 18 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.992 0.038 19817 5990 1 18 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.830 -0.030 19817 5991 1 18 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.983 0.117 19817 5992 1 18 . 1 1 130 130 GLU H H 130 8.920 8.920 8.959 -0.039 19817 5993 1 18 . 1 1 131 131 ASP N N 131 117.750 117.750 117.222 0.528 19817 5994 1 18 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.356 0.024 19817 5995 1 18 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.427 -0.127 19817 5996 1 18 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.686 1.114 19817 5997 1 18 . 1 1 131 131 ASP H H 131 7.830 7.830 8.700 -0.870 19817 5998 1 18 . 1 1 132 132 ASP N N 132 119.880 119.880 120.158 -0.278 19817 5999 1 18 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.398 -0.178 19817 6000 1 18 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.987 1.213 19817 6001 1 18 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.012 1.088 19817 6002 1 18 . 1 1 132 132 ASP H H 132 7.570 7.570 7.974 -0.404 19817 6003 1 18 . 1 1 133 133 ILE N N 133 116.580 116.580 120.195 -3.615 19817 6004 1 18 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.665 -0.325 19817 6005 1 18 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.317 0.183 19817 6006 1 18 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.804 0.896 19817 6007 1 18 . 1 1 133 133 ILE H H 133 7.180 7.180 7.487 -0.307 19817 6008 1 18 . 1 1 134 134 GLU N N 134 117.740 117.740 120.628 -2.888 19817 6009 1 18 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.969 -0.079 19817 6010 1 18 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.256 -0.656 19817 6011 1 18 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.365 0.735 19817 6012 1 18 . 1 1 134 134 GLU H H 134 8.150 8.150 8.701 -0.551 19817 6013 1 18 . 1 1 135 135 GLU N N 135 116.300 116.300 119.708 -3.408 19817 6014 1 18 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.090 0.130 19817 6015 1 18 . 1 1 135 135 GLU CA C 135 58.900 58.900 58.940 -0.040 19817 6016 1 18 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.254 0.046 19817 6017 1 18 . 1 1 135 135 GLU H H 135 8.430 8.430 8.519 -0.089 19817 6018 1 18 . 1 1 136 136 LEU N N 136 120.700 120.700 121.297 -0.597 19817 6019 1 18 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.081 0.179 19817 6020 1 18 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.959 -0.559 19817 6021 1 18 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.181 -0.481 19817 6022 1 18 . 1 1 136 136 LEU H H 136 8.100 8.100 7.932 0.168 19817 6023 1 18 . 1 1 137 137 MET N N 137 117.930 117.930 117.233 0.697 19817 6024 1 18 . 1 1 137 137 MET HA H 137 4.290 4.290 4.264 0.026 19817 6025 1 18 . 1 1 137 137 MET CA C 137 57.700 57.700 56.974 0.726 19817 6026 1 18 . 1 1 137 137 MET CB C 137 30.600 30.600 31.458 -0.858 19817 6027 1 18 . 1 1 137 137 MET H H 137 8.180 8.180 8.388 -0.208 19817 6028 1 18 . 1 1 138 138 LYS N N 138 117.370 117.370 120.081 -2.711 19817 6029 1 18 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.994 0.076 19817 6030 1 18 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.192 -0.192 19817 6031 1 18 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.230 0.370 19817 6032 1 18 . 1 1 138 138 LYS H H 138 8.060 8.060 8.711 -0.651 19817 6033 1 18 . 1 1 139 139 ASP N N 139 117.330 117.330 117.237 0.093 19817 6034 1 18 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.402 -0.022 19817 6035 1 18 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.168 0.532 19817 6036 1 18 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.917 2.283 19817 6037 1 18 . 1 1 139 139 ASP H H 139 7.650 7.650 8.166 -0.516 19817 6038 1 18 . 1 1 140 140 GLY N N 140 101.850 101.850 103.613 -1.763 19817 6039 1 18 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.157 2.043 19817 6040 1 18 . 1 1 140 140 GLY H H 140 7.850 7.850 7.463 0.387 19817 6041 1 18 . 1 1 141 141 ASP N N 141 120.420 120.420 124.383 -3.963 19817 6042 1 18 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.807 -0.237 19817 6043 1 18 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.287 -1.087 19817 6044 1 18 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.677 -1.177 19817 6045 1 18 . 1 1 141 141 ASP H H 141 8.500 8.500 8.666 -0.166 19817 6046 1 18 . 1 1 142 142 LYS N N 142 125.890 125.890 127.069 -1.179 19817 6047 1 18 . 1 1 142 142 LYS HA H 142 4.150 4.150 3.985 0.165 19817 6048 1 18 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.590 -0.690 19817 6049 1 18 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.157 0.843 19817 6050 1 18 . 1 1 142 142 LYS H H 142 7.740 7.740 8.222 -0.482 19817 6051 1 18 . 1 1 143 143 ASN N N 143 113.610 113.610 116.330 -2.720 19817 6052 1 18 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.606 0.194 19817 6053 1 18 . 1 1 143 143 ASN CA C 143 51.700 51.700 54.112 -2.412 19817 6054 1 18 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.422 -1.222 19817 6055 1 18 . 1 1 143 143 ASN H H 143 8.120 8.120 7.968 0.152 19817 6056 1 18 . 1 1 144 144 ASN N N 144 115.900 115.900 114.485 1.415 19817 6057 1 18 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.496 0.004 19817 6058 1 18 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.441 0.659 19817 6059 1 18 . 1 1 144 144 ASN CB C 144 37.800 37.800 36.944 0.856 19817 6060 1 18 . 1 1 144 144 ASN H H 144 7.720 7.720 8.277 -0.557 19817 6061 1 18 . 1 1 145 145 ASP N N 145 118.570 118.570 118.115 0.455 19817 6062 1 18 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.801 -0.091 19817 6063 1 18 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.718 -0.717 19817 6064 1 18 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.691 0.309 19817 6065 1 18 . 1 1 145 145 ASP H H 145 8.680 8.680 8.539 0.141 19817 6066 1 18 . 1 1 146 146 GLY N N 146 112.940 112.940 109.013 3.927 19817 6067 1 18 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.623 0.077 19817 6068 1 18 . 1 1 146 146 GLY H H 146 10.320 10.320 8.427 1.893 19817 6069 1 18 . 1 1 147 147 ARG N N 147 115.440 115.440 118.661 -3.221 19817 6070 1 18 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.222 -0.312 19817 6071 1 18 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.331 -0.331 19817 6072 1 18 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.831 0.569 19817 6073 1 18 . 1 1 147 147 ARG H H 147 7.690 7.690 8.700 -1.010 19817 6074 1 18 . 1 1 148 148 ILE N N 148 126.090 126.090 123.969 2.121 19817 6075 1 18 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.776 0.274 19817 6076 1 18 . 1 1 148 148 ILE CA C 148 60.600 60.600 59.523 1.077 19817 6077 1 18 . 1 1 148 148 ILE CB C 148 40.000 40.000 37.681 2.319 19817 6078 1 18 . 1 1 148 148 ILE H H 148 9.430 9.430 9.016 0.414 19817 6079 1 18 . 1 1 149 149 ASP N N 149 129.170 129.170 128.785 0.385 19817 6080 1 18 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.340 0.820 19817 6081 1 18 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.524 -0.024 19817 6082 1 18 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.762 -1.862 19817 6083 1 18 . 1 1 149 149 ASP H H 149 9.390 9.390 9.340 0.050 19817 6084 1 18 . 1 1 150 150 TYR N N 150 118.600 118.600 124.892 -6.292 19817 6085 1 18 . 1 1 150 150 TYR HA H 150 3.380 3.380 2.728 0.652 19817 6086 1 18 . 1 1 150 150 TYR CA C 150 62.200 62.200 60.688 1.512 19817 6087 1 18 . 1 1 150 150 TYR CB C 150 38.200 38.200 37.963 0.237 19817 6088 1 18 . 1 1 150 150 TYR H H 150 8.420 8.420 8.636 -0.216 19817 6089 1 18 . 1 1 151 151 ASP N N 151 118.060 118.060 117.973 0.087 19817 6090 1 18 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.091 -0.011 19817 6091 1 18 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.795 0.105 19817 6092 1 18 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.357 0.243 19817 6093 1 18 . 1 1 151 151 ASP H H 151 7.740 7.740 8.468 -0.728 19817 6094 1 18 . 1 1 152 152 GLU N N 152 120.480 120.480 119.671 0.809 19817 6095 1 18 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.444 -0.414 19817 6096 1 18 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.705 -0.005 19817 6097 1 18 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.850 -0.150 19817 6098 1 18 . 1 1 152 152 GLU H H 152 8.880 8.880 7.385 1.495 19817 6099 1 18 . 1 1 153 153 PHE N N 153 124.990 124.990 121.457 3.533 19817 6100 1 18 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.336 -0.336 19817 6101 1 18 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.657 0.142 19817 6102 1 18 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.254 0.546 19817 6103 1 18 . 1 1 153 153 PHE H H 153 9.280 9.280 8.528 0.752 19817 6104 1 18 . 1 1 154 154 LEU N N 154 117.780 117.780 117.424 0.356 19817 6105 1 18 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.666 -0.016 19817 6106 1 18 . 1 1 154 154 LEU CA C 154 58.200 58.200 58.234 -0.035 19817 6107 1 18 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.801 0.599 19817 6108 1 18 . 1 1 154 154 LEU H H 154 7.880 7.880 8.633 -0.753 19817 6109 1 18 . 1 1 155 155 GLU N N 155 116.556 116.556 118.994 -2.438 19817 6110 1 18 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.892 0.158 19817 6111 1 18 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.151 -0.251 19817 6112 1 18 . 1 1 155 155 GLU CB C 155 29.500 29.500 29.046 0.454 19817 6113 1 18 . 1 1 155 155 GLU H H 155 6.910 6.910 7.663 -0.753 19817 6114 1 18 . 1 1 156 156 PHE N N 156 121.800 121.800 118.111 3.689 19817 6115 1 18 . 1 1 156 156 PHE HA H 156 4.120 4.120 3.999 0.121 19817 6116 1 18 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.243 -2.643 19817 6117 1 18 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.319 2.581 19817 6118 1 18 . 1 1 156 156 PHE H H 156 8.610 8.610 7.344 1.266 19817 6119 1 18 . 1 1 157 157 MET N N 157 111.800 111.800 117.421 -5.621 19817 6120 1 18 . 1 1 157 157 MET HA H 157 4.360 4.360 4.147 0.213 19817 6121 1 18 . 1 1 157 157 MET CA C 157 53.300 53.300 56.896 -3.596 19817 6122 1 18 . 1 1 157 157 MET CB C 157 32.500 32.500 31.353 1.147 19817 6123 1 18 . 1 1 157 157 MET H H 157 7.490 7.490 7.931 -0.441 19817 6124 1 18 . 1 1 158 158 LYS N N 158 121.970 121.970 116.767 5.203 19817 6125 1 18 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.345 -0.395 19817 6126 1 18 . 1 1 158 158 LYS CA C 158 59.300 59.300 56.482 2.818 19817 6127 1 18 . 1 1 158 158 LYS CB C 158 32.400 32.400 31.677 0.723 19817 6128 1 18 . 1 1 158 158 LYS H H 158 7.110 7.110 8.057 -0.947 19817 6129 1 18 . 1 1 159 159 ASP N N 159 116.800 116.800 118.858 -2.058 19817 6130 1 18 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.377 0.063 19817 6131 1 18 . 1 1 159 159 ASP CA C 159 54.900 54.900 56.237 -1.337 19817 6132 1 18 . 1 1 159 159 ASP CB C 159 40.400 40.400 41.662 -1.262 19817 6133 1 18 . 1 1 159 159 ASP H H 159 8.470 8.470 7.627 0.843 19817 6134 1 18 . 1 1 160 160 VAL N N 160 119.800 119.800 114.685 5.115 19817 6135 1 18 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.565 -0.775 19817 6136 1 18 . 1 1 160 160 VAL CA C 160 63.300 63.300 60.182 3.118 19817 6137 1 18 . 1 1 160 160 VAL CB C 160 32.100 32.100 34.515 -2.415 19817 6138 1 18 . 1 1 160 160 VAL H H 160 7.270 7.270 7.300 -0.030 19817 6139 1 19 . 1 1 91 91 GLY N N 91 123.830 123.830 109.422 14.408 19817 6140 1 19 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.483 -0.483 19817 6141 1 19 . 1 1 91 91 GLY H H 91 6.020 6.020 8.538 -2.518 19817 6142 1 19 . 1 1 92 92 LYS N N 92 121.100 121.100 122.567 -1.467 19817 6143 1 19 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.470 -0.040 19817 6144 1 19 . 1 1 92 92 LYS CA C 92 56.000 56.000 55.793 0.207 19817 6145 1 19 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.404 0.396 19817 6146 1 19 . 1 1 92 92 LYS H H 92 8.610 8.610 8.204 0.406 19817 6147 1 19 . 1 1 93 93 SER N N 93 117.190 117.190 120.550 -3.360 19817 6148 1 19 . 1 1 93 93 SER HA H 93 4.470 4.470 4.709 -0.239 19817 6149 1 19 . 1 1 93 93 SER CA C 93 58.100 58.100 57.909 0.191 19817 6150 1 19 . 1 1 93 93 SER CB C 93 65.000 65.000 64.748 0.252 19817 6151 1 19 . 1 1 93 93 SER H H 93 8.760 8.760 8.671 0.089 19817 6152 1 19 . 1 1 94 94 GLU N N 94 122.350 122.350 124.895 -2.545 19817 6153 1 19 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.022 -0.022 19817 6154 1 19 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.545 0.455 19817 6155 1 19 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.530 -0.430 19817 6156 1 19 . 1 1 94 94 GLU H H 94 8.890 8.890 8.946 -0.056 19817 6157 1 19 . 1 1 95 95 GLU N N 95 119.160 119.160 118.752 0.408 19817 6158 1 19 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.089 0.001 19817 6159 1 19 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.318 0.382 19817 6160 1 19 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.285 -0.085 19817 6161 1 19 . 1 1 95 95 GLU H H 95 8.610 8.610 8.831 -0.221 19817 6162 1 19 . 1 1 96 96 GLU N N 96 120.300 120.300 119.506 0.794 19817 6163 1 19 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.147 0.143 19817 6164 1 19 . 1 1 96 96 GLU CA C 96 59.000 59.000 58.608 0.391 19817 6165 1 19 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.371 0.829 19817 6166 1 19 . 1 1 96 96 GLU H H 96 7.930 7.930 7.747 0.183 19817 6167 1 19 . 1 1 97 97 LEU N N 97 119.340 119.340 120.144 -0.804 19817 6168 1 19 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.158 0.112 19817 6169 1 19 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.092 0.408 19817 6170 1 19 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.820 0.080 19817 6171 1 19 . 1 1 97 97 LEU H H 97 8.520 8.520 7.851 0.669 19817 6172 1 19 . 1 1 98 98 SER N N 98 115.800 115.800 114.843 0.957 19817 6173 1 19 . 1 1 98 98 SER HA H 98 4.280 4.280 4.351 -0.071 19817 6174 1 19 . 1 1 98 98 SER CA C 98 62.300 62.300 62.349 -0.049 19817 6175 1 19 . 1 1 98 98 SER CB C 98 62.500 62.500 62.809 -0.309 19817 6176 1 19 . 1 1 98 98 SER H H 98 8.700 8.700 7.949 0.751 19817 6177 1 19 . 1 1 99 99 ASP N N 99 121.600 121.600 122.474 -0.874 19817 6178 1 19 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.486 0.214 19817 6179 1 19 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.023 1.477 19817 6180 1 19 . 1 1 99 99 ASP CB C 99 41.400 41.400 41.084 0.316 19817 6181 1 19 . 1 1 99 99 ASP H H 99 7.510 7.510 7.489 0.021 19817 6182 1 19 . 1 1 100 100 LEU N N 100 117.900 117.900 120.841 -2.941 19817 6183 1 19 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.202 -0.052 19817 6184 1 19 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.931 0.369 19817 6185 1 19 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.998 -0.398 19817 6186 1 19 . 1 1 100 100 LEU H H 100 8.170 8.170 8.630 -0.460 19817 6187 1 19 . 1 1 101 101 PHE N N 101 120.490 120.490 119.221 1.269 19817 6188 1 19 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.600 1.670 19817 6189 1 19 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.473 0.727 19817 6190 1 19 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.462 0.739 19817 6191 1 19 . 1 1 101 101 PHE H H 101 8.760 8.760 8.430 0.330 19817 6192 1 19 . 1 1 102 102 ARG N N 102 115.520 115.520 117.474 -1.954 19817 6193 1 19 . 1 1 102 102 ARG HA H 102 3.970 3.970 4.033 -0.063 19817 6194 1 19 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.443 -0.243 19817 6195 1 19 . 1 1 102 102 ARG CB C 102 30.400 30.400 30.067 0.333 19817 6196 1 19 . 1 1 102 102 ARG H H 102 7.470 7.470 7.745 -0.275 19817 6197 1 19 . 1 1 103 103 MET N N 103 114.150 114.150 116.548 -2.398 19817 6198 1 19 . 1 1 103 103 MET HA H 103 4.370 4.370 4.143 0.227 19817 6199 1 19 . 1 1 103 103 MET CA C 103 55.900 55.900 58.655 -2.755 19817 6200 1 19 . 1 1 103 103 MET CB C 103 34.300 34.300 32.720 1.580 19817 6201 1 19 . 1 1 103 103 MET H H 103 7.590 7.590 7.523 0.067 19817 6202 1 19 . 1 1 104 104 PHE N N 104 115.060 115.060 118.898 -3.838 19817 6203 1 19 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.332 -0.042 19817 6204 1 19 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.235 -0.835 19817 6205 1 19 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.238 2.462 19817 6206 1 19 . 1 1 104 104 PHE H H 104 7.380 7.380 7.908 -0.528 19817 6207 1 19 . 1 1 105 105 ASP N N 105 116.710 116.710 118.684 -1.974 19817 6208 1 19 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.969 -0.549 19817 6209 1 19 . 1 1 105 105 ASP CA C 105 52.400 52.400 53.626 -1.226 19817 6210 1 19 . 1 1 105 105 ASP CB C 105 39.000 39.000 41.025 -2.025 19817 6211 1 19 . 1 1 105 105 ASP H H 105 7.270 7.270 8.339 -1.069 19817 6212 1 19 . 1 1 106 106 LYS N N 106 124.270 124.270 126.253 -1.983 19817 6213 1 19 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.115 -0.085 19817 6214 1 19 . 1 1 106 106 LYS C C 106 113.428 113.428 177.665 -64.237 19817 6215 1 19 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.367 -0.168 19817 6216 1 19 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.306 0.594 19817 6217 1 19 . 1 1 106 106 LYS H H 106 7.510 7.510 8.560 -1.050 19817 6218 1 19 . 1 1 107 107 ASN N N 107 113.600 113.600 114.771 -1.171 19817 6219 1 19 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.857 -0.127 19817 6220 1 19 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.997 -1.297 19817 6221 1 19 . 1 1 107 107 ASN CB C 107 36.900 36.900 39.423 -2.523 19817 6222 1 19 . 1 1 107 107 ASN H H 107 8.000 8.000 7.991 0.009 19817 6223 1 19 . 1 1 108 108 ALA N N 108 121.600 121.600 120.704 0.896 19817 6224 1 19 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.164 -0.094 19817 6225 1 19 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.218 0.082 19817 6226 1 19 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.153 -0.053 19817 6227 1 19 . 1 1 108 108 ALA H H 108 7.810 7.810 7.928 -0.118 19817 6228 1 19 . 1 1 109 109 ASP N N 109 118.480 118.480 117.526 0.954 19817 6229 1 19 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.593 0.107 19817 6230 1 19 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.208 -1.008 19817 6231 1 19 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.343 -0.343 19817 6232 1 19 . 1 1 109 109 ASP H H 109 8.520 8.520 8.192 0.328 19817 6233 1 19 . 1 1 110 110 GLY N N 110 112.250 112.250 105.953 6.297 19817 6234 1 19 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.132 -0.132 19817 6235 1 19 . 1 1 110 110 GLY H H 110 10.400 10.400 8.022 2.378 19817 6236 1 19 . 1 1 111 111 TYR N N 111 115.590 115.590 118.760 -3.170 19817 6237 1 19 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.744 -0.574 19817 6238 1 19 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.953 -0.854 19817 6239 1 19 . 1 1 111 111 TYR CB C 111 43.100 43.100 42.392 0.708 19817 6240 1 19 . 1 1 111 111 TYR H H 111 8.000 8.000 8.732 -0.732 19817 6241 1 19 . 1 1 112 112 ILE N N 112 125.560 125.560 122.718 2.842 19817 6242 1 19 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.572 0.188 19817 6243 1 19 . 1 1 112 112 ILE CA C 112 60.600 60.600 59.005 1.595 19817 6244 1 19 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.182 0.818 19817 6245 1 19 . 1 1 112 112 ILE H H 112 9.830 9.830 9.088 0.742 19817 6246 1 19 . 1 1 113 113 ASP N N 113 128.350 128.350 125.821 2.529 19817 6247 1 19 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.078 -0.118 19817 6248 1 19 . 1 1 113 113 ASP CA C 113 52.000 52.000 51.831 0.168 19817 6249 1 19 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.953 -1.753 19817 6250 1 19 . 1 1 113 113 ASP H H 113 9.030 9.030 8.839 0.191 19817 6251 1 19 . 1 1 114 114 LEU N N 114 118.300 118.300 121.381 -3.081 19817 6252 1 19 . 1 1 114 114 LEU HA H 114 3.980 3.980 3.996 -0.016 19817 6253 1 19 . 1 1 114 114 LEU CA C 114 58.800 58.800 59.108 -0.308 19817 6254 1 19 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.930 0.670 19817 6255 1 19 . 1 1 114 114 LEU H H 114 8.530 8.530 8.843 -0.313 19817 6256 1 19 . 1 1 115 115 ASP N N 115 118.300 118.300 118.666 -0.366 19817 6257 1 19 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.364 0.006 19817 6258 1 19 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.235 -0.235 19817 6259 1 19 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.502 0.138 19817 6260 1 19 . 1 1 115 115 ASP H H 115 7.920 7.920 8.556 -0.636 19817 6261 1 19 . 1 1 116 116 GLU N N 116 121.400 121.400 118.856 2.544 19817 6262 1 19 . 1 1 116 116 GLU HA H 116 4.630 4.630 3.995 0.635 19817 6263 1 19 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.171 -0.671 19817 6264 1 19 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.415 -0.015 19817 6265 1 19 . 1 1 116 116 GLU H H 116 8.670 8.670 8.367 0.303 19817 6266 1 19 . 1 1 117 117 LEU N N 117 121.200 121.200 120.858 0.342 19817 6267 1 19 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.080 -0.090 19817 6268 1 19 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.821 0.639 19817 6269 1 19 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.187 -0.137 19817 6270 1 19 . 1 1 117 117 LEU H H 117 8.670 8.670 8.091 0.579 19817 6271 1 19 . 1 1 118 118 LYS N N 118 118.800 118.800 120.003 -1.203 19817 6272 1 19 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.959 -0.139 19817 6273 1 19 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.630 1.670 19817 6274 1 19 . 1 1 118 118 LYS CB C 118 32.500 32.500 31.799 0.701 19817 6275 1 19 . 1 1 118 118 LYS H H 118 8.610 8.610 8.469 0.141 19817 6276 1 19 . 1 1 119 119 ILE N N 119 119.400 119.400 120.047 -0.647 19817 6277 1 19 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.599 0.211 19817 6278 1 19 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.149 -0.049 19817 6279 1 19 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.720 0.480 19817 6280 1 19 . 1 1 119 119 ILE H H 119 8.180 8.180 7.661 0.519 19817 6281 1 19 . 1 1 120 120 MET N N 120 119.340 119.340 117.548 1.792 19817 6282 1 19 . 1 1 120 120 MET HA H 120 3.360 3.360 4.043 -0.683 19817 6283 1 19 . 1 1 120 120 MET CA C 120 57.100 57.100 58.780 -1.680 19817 6284 1 19 . 1 1 120 120 MET CB C 120 31.600 31.600 32.308 -0.708 19817 6285 1 19 . 1 1 120 120 MET H H 120 7.500 7.500 7.307 0.193 19817 6286 1 19 . 1 1 121 121 LEU N N 121 117.920 117.920 120.399 -2.479 19817 6287 1 19 . 1 1 121 121 LEU HA H 121 4.030 4.030 3.958 0.072 19817 6288 1 19 . 1 1 121 121 LEU CA C 121 57.600 57.600 58.017 -0.416 19817 6289 1 19 . 1 1 121 121 LEU CB C 121 41.700 41.700 41.748 -0.048 19817 6290 1 19 . 1 1 121 121 LEU H H 121 8.520 8.520 8.043 0.477 19817 6291 1 19 . 1 1 122 122 GLN N N 122 120.780 120.780 119.543 1.237 19817 6292 1 19 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.961 0.149 19817 6293 1 19 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.895 -0.095 19817 6294 1 19 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.651 -0.651 19817 6295 1 19 . 1 1 122 122 GLN H H 122 8.810 8.810 8.863 -0.053 19817 6296 1 19 . 1 1 123 123 ALA N N 123 121.220 121.220 120.256 0.964 19817 6297 1 19 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.064 0.236 19817 6298 1 19 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.578 -0.979 19817 6299 1 19 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.430 0.070 19817 6300 1 19 . 1 1 123 123 ALA H H 123 7.580 7.580 7.609 -0.029 19817 6301 1 19 . 1 1 124 124 THR N N 124 106.720 106.720 109.879 -3.159 19817 6302 1 19 . 1 1 124 124 THR HA H 124 4.050 4.050 4.105 -0.055 19817 6303 1 19 . 1 1 124 124 THR CA C 124 64.200 64.200 63.732 0.468 19817 6304 1 19 . 1 1 124 124 THR CB C 124 71.300 71.300 69.342 1.958 19817 6305 1 19 . 1 1 124 124 THR H H 124 7.490 7.490 7.626 -0.136 19817 6306 1 19 . 1 1 125 125 GLY N N 125 108.350 108.350 110.167 -1.817 19817 6307 1 19 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.126 0.474 19817 6308 1 19 . 1 1 125 125 GLY H H 125 7.680 7.680 7.471 0.209 19817 6309 1 19 . 1 1 126 126 GLU N N 126 120.100 120.100 122.250 -2.150 19817 6310 1 19 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.357 -0.077 19817 6311 1 19 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.696 -1.496 19817 6312 1 19 . 1 1 126 126 GLU CB C 126 31.000 31.000 29.987 1.013 19817 6313 1 19 . 1 1 126 126 GLU H H 126 7.500 7.500 8.443 -0.943 19817 6314 1 19 . 1 1 127 127 THR N N 127 119.830 119.830 117.733 2.097 19817 6315 1 19 . 1 1 127 127 THR HA H 127 4.170 4.170 4.290 -0.120 19817 6316 1 19 . 1 1 127 127 THR CA C 127 63.700 63.700 62.858 0.842 19817 6317 1 19 . 1 1 127 127 THR CB C 127 68.800 68.800 69.165 -0.365 19817 6318 1 19 . 1 1 127 127 THR H H 127 8.650 8.650 8.413 0.237 19817 6319 1 19 . 1 1 128 128 ILE N N 128 128.630 128.630 125.398 3.232 19817 6320 1 19 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.342 0.298 19817 6321 1 19 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.925 -2.225 19817 6322 1 19 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.063 -1.863 19817 6323 1 19 . 1 1 128 128 ILE H H 128 8.370 8.370 8.158 0.212 19817 6324 1 19 . 1 1 129 129 THR N N 129 119.830 119.830 115.522 4.308 19817 6325 1 19 . 1 1 129 129 THR HA H 129 4.750 4.750 4.473 0.277 19817 6326 1 19 . 1 1 129 129 THR CA C 129 59.700 59.700 60.419 -0.719 19817 6327 1 19 . 1 1 129 129 THR CB C 129 72.300 72.300 70.175 2.125 19817 6328 1 19 . 1 1 129 129 THR H H 129 9.680 9.680 8.226 1.454 19817 6329 1 19 . 1 1 130 130 GLU N N 130 119.760 119.760 120.705 -0.945 19817 6330 1 19 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.949 0.081 19817 6331 1 19 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.529 0.271 19817 6332 1 19 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.344 -0.244 19817 6333 1 19 . 1 1 130 130 GLU H H 130 8.920 8.920 8.934 -0.014 19817 6334 1 19 . 1 1 131 131 ASP N N 131 117.750 117.750 119.388 -1.638 19817 6335 1 19 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.354 0.026 19817 6336 1 19 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.796 -0.496 19817 6337 1 19 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.180 0.620 19817 6338 1 19 . 1 1 131 131 ASP H H 131 7.830 7.830 8.642 -0.812 19817 6339 1 19 . 1 1 132 132 ASP N N 132 119.880 119.880 120.348 -0.468 19817 6340 1 19 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.478 -0.258 19817 6341 1 19 . 1 1 132 132 ASP CA C 132 58.200 58.200 56.882 1.318 19817 6342 1 19 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.054 1.046 19817 6343 1 19 . 1 1 132 132 ASP H H 132 7.570 7.570 7.645 -0.075 19817 6344 1 19 . 1 1 133 133 ILE N N 133 116.580 116.580 120.383 -3.803 19817 6345 1 19 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.589 -0.249 19817 6346 1 19 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.075 0.425 19817 6347 1 19 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.966 0.734 19817 6348 1 19 . 1 1 133 133 ILE H H 133 7.180 7.180 7.326 -0.146 19817 6349 1 19 . 1 1 134 134 GLU N N 134 117.740 117.740 120.315 -2.575 19817 6350 1 19 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.948 -0.058 19817 6351 1 19 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.849 -0.249 19817 6352 1 19 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.039 1.061 19817 6353 1 19 . 1 1 134 134 GLU H H 134 8.150 8.150 8.924 -0.774 19817 6354 1 19 . 1 1 135 135 GLU N N 135 116.300 116.300 119.235 -2.935 19817 6355 1 19 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.087 0.133 19817 6356 1 19 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.140 -0.240 19817 6357 1 19 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.261 0.039 19817 6358 1 19 . 1 1 135 135 GLU H H 135 8.430 8.430 7.712 0.718 19817 6359 1 19 . 1 1 136 136 LEU N N 136 120.700 120.700 121.396 -0.696 19817 6360 1 19 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.169 0.091 19817 6361 1 19 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.158 -0.758 19817 6362 1 19 . 1 1 136 136 LEU CB C 136 41.700 41.700 42.100 -0.400 19817 6363 1 19 . 1 1 136 136 LEU H H 136 8.100 8.100 7.598 0.502 19817 6364 1 19 . 1 1 137 137 MET N N 137 117.930 117.930 116.133 1.797 19817 6365 1 19 . 1 1 137 137 MET HA H 137 4.290 4.290 4.493 -0.203 19817 6366 1 19 . 1 1 137 137 MET CA C 137 57.700 57.700 58.677 -0.977 19817 6367 1 19 . 1 1 137 137 MET CB C 137 30.600 30.600 32.415 -1.815 19817 6368 1 19 . 1 1 137 137 MET H H 137 8.180 8.180 8.377 -0.197 19817 6369 1 19 . 1 1 138 138 LYS N N 138 117.370 117.370 120.093 -2.723 19817 6370 1 19 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.997 0.073 19817 6371 1 19 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.932 -0.932 19817 6372 1 19 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.189 0.411 19817 6373 1 19 . 1 1 138 138 LYS H H 138 8.060 8.060 8.733 -0.673 19817 6374 1 19 . 1 1 139 139 ASP N N 139 117.330 117.330 118.675 -1.345 19817 6375 1 19 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.383 -0.003 19817 6376 1 19 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.930 -0.230 19817 6377 1 19 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.841 2.359 19817 6378 1 19 . 1 1 139 139 ASP H H 139 7.650 7.650 8.174 -0.524 19817 6379 1 19 . 1 1 140 140 GLY N N 140 101.850 101.850 102.641 -0.791 19817 6380 1 19 . 1 1 140 140 GLY CA C 140 46.200 46.200 43.551 2.649 19817 6381 1 19 . 1 1 140 140 GLY H H 140 7.850 7.850 7.368 0.482 19817 6382 1 19 . 1 1 141 141 ASP N N 141 120.420 120.420 120.974 -0.554 19817 6383 1 19 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.699 -0.129 19817 6384 1 19 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.787 -0.587 19817 6385 1 19 . 1 1 141 141 ASP CB C 141 39.500 39.500 41.580 -2.080 19817 6386 1 19 . 1 1 141 141 ASP H H 141 8.500 8.500 7.430 1.070 19817 6387 1 19 . 1 1 142 142 LYS N N 142 125.890 125.890 126.934 -1.044 19817 6388 1 19 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.025 0.125 19817 6389 1 19 . 1 1 142 142 LYS CA C 142 57.900 57.900 59.138 -1.238 19817 6390 1 19 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.539 0.460 19817 6391 1 19 . 1 1 142 142 LYS H H 142 7.740 7.740 8.707 -0.967 19817 6392 1 19 . 1 1 143 143 ASN N N 143 113.610 113.610 115.008 -1.398 19817 6393 1 19 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.762 0.038 19817 6394 1 19 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.327 -1.627 19817 6395 1 19 . 1 1 143 143 ASN CB C 143 37.200 37.200 39.186 -1.986 19817 6396 1 19 . 1 1 143 143 ASN H H 143 8.120 8.120 8.309 -0.189 19817 6397 1 19 . 1 1 144 144 ASN N N 144 115.900 115.900 116.202 -0.302 19817 6398 1 19 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.483 0.017 19817 6399 1 19 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.179 0.921 19817 6400 1 19 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.764 0.036 19817 6401 1 19 . 1 1 144 144 ASN H H 144 7.720 7.720 8.385 -0.665 19817 6402 1 19 . 1 1 145 145 ASP N N 145 118.570 118.570 117.392 1.178 19817 6403 1 19 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.728 -0.018 19817 6404 1 19 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.172 -0.173 19817 6405 1 19 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.906 0.094 19817 6406 1 19 . 1 1 145 145 ASP H H 145 8.680 8.680 8.465 0.215 19817 6407 1 19 . 1 1 146 146 GLY N N 146 112.940 112.940 107.515 5.425 19817 6408 1 19 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.374 0.326 19817 6409 1 19 . 1 1 146 146 GLY H H 146 10.320 10.320 8.451 1.869 19817 6410 1 19 . 1 1 147 147 ARG N N 147 115.440 115.440 118.760 -3.320 19817 6411 1 19 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.170 -0.260 19817 6412 1 19 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.668 -0.668 19817 6413 1 19 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.483 0.917 19817 6414 1 19 . 1 1 147 147 ARG H H 147 7.690 7.690 8.805 -1.115 19817 6415 1 19 . 1 1 148 148 ILE N N 148 126.090 126.090 125.098 0.992 19817 6416 1 19 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.911 0.139 19817 6417 1 19 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.811 -0.211 19817 6418 1 19 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.301 0.699 19817 6419 1 19 . 1 1 148 148 ILE H H 148 9.430 9.430 9.135 0.295 19817 6420 1 19 . 1 1 149 149 ASP N N 149 129.170 129.170 128.140 1.030 19817 6421 1 19 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.351 0.809 19817 6422 1 19 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.466 -0.966 19817 6423 1 19 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.546 -1.646 19817 6424 1 19 . 1 1 149 149 ASP H H 149 9.390 9.390 9.268 0.122 19817 6425 1 19 . 1 1 150 150 TYR N N 150 118.600 118.600 122.889 -4.289 19817 6426 1 19 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.963 -0.583 19817 6427 1 19 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.443 -0.243 19817 6428 1 19 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.431 -0.231 19817 6429 1 19 . 1 1 150 150 TYR H H 150 8.420 8.420 8.627 -0.207 19817 6430 1 19 . 1 1 151 151 ASP N N 151 118.060 118.060 118.640 -0.580 19817 6431 1 19 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.340 -0.260 19817 6432 1 19 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.444 0.456 19817 6433 1 19 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.239 0.361 19817 6434 1 19 . 1 1 151 151 ASP H H 151 7.740 7.740 8.640 -0.900 19817 6435 1 19 . 1 1 152 152 GLU N N 152 120.480 120.480 119.575 0.905 19817 6436 1 19 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.036 -0.006 19817 6437 1 19 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.105 -0.404 19817 6438 1 19 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.612 0.088 19817 6439 1 19 . 1 1 152 152 GLU H H 152 8.880 8.880 8.123 0.757 19817 6440 1 19 . 1 1 153 153 PHE N N 153 124.990 124.990 121.899 3.091 19817 6441 1 19 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.357 -0.357 19817 6442 1 19 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.483 0.317 19817 6443 1 19 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.257 0.543 19817 6444 1 19 . 1 1 153 153 PHE H H 153 9.280 9.280 8.788 0.492 19817 6445 1 19 . 1 1 154 154 LEU N N 154 117.780 117.780 118.107 -0.327 19817 6446 1 19 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.714 -0.064 19817 6447 1 19 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.495 0.705 19817 6448 1 19 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.932 0.468 19817 6449 1 19 . 1 1 154 154 LEU H H 154 7.880 7.880 7.804 0.076 19817 6450 1 19 . 1 1 155 155 GLU N N 155 116.556 116.556 119.157 -2.601 19817 6451 1 19 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.897 0.153 19817 6452 1 19 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.312 -0.412 19817 6453 1 19 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.896 0.604 19817 6454 1 19 . 1 1 155 155 GLU H H 155 6.910 6.910 7.559 -0.649 19817 6455 1 19 . 1 1 156 156 PHE N N 156 121.800 121.800 118.799 3.001 19817 6456 1 19 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.037 0.083 19817 6457 1 19 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.475 -2.876 19817 6458 1 19 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.325 2.575 19817 6459 1 19 . 1 1 156 156 PHE H H 156 8.610 8.610 7.520 1.090 19817 6460 1 19 . 1 1 157 157 MET N N 157 111.800 111.800 116.607 -4.807 19817 6461 1 19 . 1 1 157 157 MET HA H 157 4.360 4.360 4.118 0.242 19817 6462 1 19 . 1 1 157 157 MET CA C 157 53.300 53.300 57.913 -4.613 19817 6463 1 19 . 1 1 157 157 MET CB C 157 32.500 32.500 31.951 0.549 19817 6464 1 19 . 1 1 157 157 MET H H 157 7.490 7.490 7.746 -0.256 19817 6465 1 19 . 1 1 158 158 LYS N N 158 121.970 121.970 118.796 3.174 19817 6466 1 19 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.069 -0.119 19817 6467 1 19 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.159 1.141 19817 6468 1 19 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.528 -0.128 19817 6469 1 19 . 1 1 158 158 LYS H H 158 7.110 7.110 7.594 -0.484 19817 6470 1 19 . 1 1 159 159 ASP N N 159 116.800 116.800 119.423 -2.623 19817 6471 1 19 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.541 -0.101 19817 6472 1 19 . 1 1 159 159 ASP CA C 159 54.900 54.900 55.066 -0.166 19817 6473 1 19 . 1 1 159 159 ASP CB C 159 40.400 40.400 39.312 1.088 19817 6474 1 19 . 1 1 159 159 ASP H H 159 8.470 8.470 7.685 0.785 19817 6475 1 19 . 1 1 160 160 VAL N N 160 119.800 119.800 118.251 1.549 19817 6476 1 19 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.397 -0.607 19817 6477 1 19 . 1 1 160 160 VAL CA C 160 63.300 63.300 62.149 1.151 19817 6478 1 19 . 1 1 160 160 VAL CB C 160 32.100 32.100 33.498 -1.398 19817 6479 1 19 . 1 1 160 160 VAL H H 160 7.270 7.270 7.990 -0.720 19817 6480 1 20 . 1 1 91 91 GLY N N 91 123.830 123.830 114.740 9.090 19817 6481 1 20 . 1 1 91 91 GLY CA C 91 45.000 45.000 46.293 -1.293 19817 6482 1 20 . 1 1 91 91 GLY H H 91 6.020 6.020 8.657 -2.637 19817 6483 1 20 . 1 1 92 92 LYS N N 92 121.100 121.100 123.634 -2.534 19817 6484 1 20 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.528 -0.098 19817 6485 1 20 . 1 1 92 92 LYS CA C 92 56.000 56.000 55.681 0.319 19817 6486 1 20 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.930 -0.130 19817 6487 1 20 . 1 1 92 92 LYS H H 92 8.610 8.610 8.227 0.383 19817 6488 1 20 . 1 1 93 93 SER N N 93 117.190 117.190 117.427 -0.237 19817 6489 1 20 . 1 1 93 93 SER HA H 93 4.470 4.470 4.678 -0.208 19817 6490 1 20 . 1 1 93 93 SER CA C 93 58.100 58.100 56.342 1.758 19817 6491 1 20 . 1 1 93 93 SER CB C 93 65.000 65.000 66.169 -1.169 19817 6492 1 20 . 1 1 93 93 SER H H 93 8.760 8.760 9.133 -0.373 19817 6493 1 20 . 1 1 94 94 GLU N N 94 122.350 122.350 123.219 -0.869 19817 6494 1 20 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.020 -0.020 19817 6495 1 20 . 1 1 94 94 GLU CA C 94 60.000 60.000 60.371 -0.371 19817 6496 1 20 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.317 -0.217 19817 6497 1 20 . 1 1 94 94 GLU H H 94 8.890 8.890 9.137 -0.247 19817 6498 1 20 . 1 1 95 95 GLU N N 95 119.160 119.160 119.087 0.073 19817 6499 1 20 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.148 -0.058 19817 6500 1 20 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.785 -0.084 19817 6501 1 20 . 1 1 95 95 GLU CB C 95 29.200 29.200 28.520 0.680 19817 6502 1 20 . 1 1 95 95 GLU H H 95 8.610 8.610 8.978 -0.368 19817 6503 1 20 . 1 1 96 96 GLU N N 96 120.300 120.300 120.904 -0.604 19817 6504 1 20 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.178 0.112 19817 6505 1 20 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.024 -0.024 19817 6506 1 20 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.384 0.816 19817 6507 1 20 . 1 1 96 96 GLU H H 96 7.930 7.930 7.609 0.321 19817 6508 1 20 . 1 1 97 97 LEU N N 97 119.340 119.340 120.474 -1.134 19817 6509 1 20 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.142 0.128 19817 6510 1 20 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.165 0.335 19817 6511 1 20 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.720 0.180 19817 6512 1 20 . 1 1 97 97 LEU H H 97 8.520 8.520 8.871 -0.351 19817 6513 1 20 . 1 1 98 98 SER N N 98 115.800 115.800 115.841 -0.041 19817 6514 1 20 . 1 1 98 98 SER HA H 98 4.280 4.280 4.353 -0.073 19817 6515 1 20 . 1 1 98 98 SER CA C 98 62.300 62.300 63.026 -0.726 19817 6516 1 20 . 1 1 98 98 SER CB C 98 62.500 62.500 62.655 -0.155 19817 6517 1 20 . 1 1 98 98 SER H H 98 8.700 8.700 8.672 0.028 19817 6518 1 20 . 1 1 99 99 ASP N N 99 121.600 121.600 122.810 -1.210 19817 6519 1 20 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.536 0.164 19817 6520 1 20 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.417 1.083 19817 6521 1 20 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.952 0.448 19817 6522 1 20 . 1 1 99 99 ASP H H 99 7.510 7.510 8.159 -0.649 19817 6523 1 20 . 1 1 100 100 LEU N N 100 117.900 117.900 119.880 -1.980 19817 6524 1 20 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.209 -0.059 19817 6525 1 20 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.877 0.423 19817 6526 1 20 . 1 1 100 100 LEU CB C 100 41.600 41.600 42.081 -0.481 19817 6527 1 20 . 1 1 100 100 LEU H H 100 8.170 8.170 8.470 -0.300 19817 6528 1 20 . 1 1 101 101 PHE N N 101 120.490 120.490 120.317 0.173 19817 6529 1 20 . 1 1 101 101 PHE HA H 101 4.270 4.270 3.004 1.266 19817 6530 1 20 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.683 0.517 19817 6531 1 20 . 1 1 101 101 PHE CB C 101 39.200 39.200 39.088 0.112 19817 6532 1 20 . 1 1 101 101 PHE H H 101 8.760 8.760 8.829 -0.069 19817 6533 1 20 . 1 1 102 102 ARG N N 102 115.520 115.520 118.630 -3.110 19817 6534 1 20 . 1 1 102 102 ARG HA H 102 3.970 3.970 4.035 -0.065 19817 6535 1 20 . 1 1 102 102 ARG CA C 102 59.200 59.200 58.964 0.236 19817 6536 1 20 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.706 0.694 19817 6537 1 20 . 1 1 102 102 ARG H H 102 7.470 7.470 8.454 -0.984 19817 6538 1 20 . 1 1 103 103 MET N N 103 114.150 114.150 118.461 -4.311 19817 6539 1 20 . 1 1 103 103 MET HA H 103 4.370 4.370 4.134 0.236 19817 6540 1 20 . 1 1 103 103 MET CA C 103 55.900 55.900 58.543 -2.643 19817 6541 1 20 . 1 1 103 103 MET CB C 103 34.300 34.300 32.812 1.488 19817 6542 1 20 . 1 1 103 103 MET H H 103 7.590 7.590 7.626 -0.036 19817 6543 1 20 . 1 1 104 104 PHE N N 104 115.060 115.060 119.218 -4.158 19817 6544 1 20 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.332 -0.042 19817 6545 1 20 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.342 -0.942 19817 6546 1 20 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.032 2.668 19817 6547 1 20 . 1 1 104 104 PHE H H 104 7.380 7.380 7.382 -0.002 19817 6548 1 20 . 1 1 105 105 ASP N N 105 116.710 116.710 118.459 -1.749 19817 6549 1 20 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.582 -0.162 19817 6550 1 20 . 1 1 105 105 ASP CA C 105 52.400 52.400 54.211 -1.811 19817 6551 1 20 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.389 -1.389 19817 6552 1 20 . 1 1 105 105 ASP H H 105 7.270 7.270 8.289 -1.019 19817 6553 1 20 . 1 1 106 106 LYS N N 106 124.270 124.270 126.430 -2.160 19817 6554 1 20 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.059 -0.029 19817 6555 1 20 . 1 1 106 106 LYS C C 106 113.428 113.428 177.747 -64.319 19817 6556 1 20 . 1 1 106 106 LYS CA C 106 58.200 58.200 58.583 -0.383 19817 6557 1 20 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.166 0.735 19817 6558 1 20 . 1 1 106 106 LYS H H 106 7.510 7.510 8.116 -0.606 19817 6559 1 20 . 1 1 107 107 ASN N N 107 113.600 113.600 115.417 -1.817 19817 6560 1 20 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.681 0.049 19817 6561 1 20 . 1 1 107 107 ASN CA C 107 51.700 51.700 52.834 -1.134 19817 6562 1 20 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.978 -2.078 19817 6563 1 20 . 1 1 107 107 ASN H H 107 8.000 8.000 8.375 -0.375 19817 6564 1 20 . 1 1 108 108 ALA N N 108 121.600 121.600 119.753 1.847 19817 6565 1 20 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.019 0.051 19817 6566 1 20 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.471 -0.171 19817 6567 1 20 . 1 1 108 108 ALA CB C 108 17.100 17.100 17.093 0.007 19817 6568 1 20 . 1 1 108 108 ALA H H 108 7.810 7.810 7.563 0.247 19817 6569 1 20 . 1 1 109 109 ASP N N 109 118.480 118.480 116.907 1.573 19817 6570 1 20 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.461 0.239 19817 6571 1 20 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.772 -1.572 19817 6572 1 20 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.350 -0.350 19817 6573 1 20 . 1 1 109 109 ASP H H 109 8.520 8.520 8.216 0.304 19817 6574 1 20 . 1 1 110 110 GLY N N 110 112.250 112.250 105.592 6.658 19817 6575 1 20 . 1 1 110 110 GLY CA C 110 45.000 45.000 44.688 0.312 19817 6576 1 20 . 1 1 110 110 GLY H H 110 10.400 10.400 7.855 2.545 19817 6577 1 20 . 1 1 111 111 TYR N N 111 115.590 115.590 119.940 -4.350 19817 6578 1 20 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.211 -0.041 19817 6579 1 20 . 1 1 111 111 TYR CA C 111 56.100 56.100 57.072 -0.972 19817 6580 1 20 . 1 1 111 111 TYR CB C 111 43.100 43.100 40.818 2.282 19817 6581 1 20 . 1 1 111 111 TYR H H 111 8.000 8.000 8.893 -0.893 19817 6582 1 20 . 1 1 112 112 ILE N N 112 125.560 125.560 124.456 1.104 19817 6583 1 20 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.220 0.540 19817 6584 1 20 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.893 -1.293 19817 6585 1 20 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.166 0.834 19817 6586 1 20 . 1 1 112 112 ILE H H 112 9.830 9.830 9.286 0.544 19817 6587 1 20 . 1 1 113 113 ASP N N 113 128.350 128.350 126.399 1.951 19817 6588 1 20 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.041 -0.081 19817 6589 1 20 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.542 -0.542 19817 6590 1 20 . 1 1 113 113 ASP CB C 113 42.200 42.200 44.073 -1.873 19817 6591 1 20 . 1 1 113 113 ASP H H 113 9.030 9.030 8.683 0.347 19817 6592 1 20 . 1 1 114 114 LEU N N 114 118.300 118.300 120.402 -2.102 19817 6593 1 20 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.006 -0.026 19817 6594 1 20 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.457 0.343 19817 6595 1 20 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.660 0.940 19817 6596 1 20 . 1 1 114 114 LEU H H 114 8.530 8.530 8.615 -0.085 19817 6597 1 20 . 1 1 115 115 ASP N N 115 118.300 118.300 119.126 -0.826 19817 6598 1 20 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.277 0.093 19817 6599 1 20 . 1 1 115 115 ASP CA C 115 58.000 58.000 58.453 -0.453 19817 6600 1 20 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.631 0.009 19817 6601 1 20 . 1 1 115 115 ASP H H 115 7.920 7.920 8.726 -0.806 19817 6602 1 20 . 1 1 116 116 GLU N N 116 121.400 121.400 119.896 1.504 19817 6603 1 20 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.015 0.615 19817 6604 1 20 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.200 -0.701 19817 6605 1 20 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.547 -0.147 19817 6606 1 20 . 1 1 116 116 GLU H H 116 8.670 8.670 8.105 0.565 19817 6607 1 20 . 1 1 117 117 LEU N N 117 121.200 121.200 120.242 0.958 19817 6608 1 20 . 1 1 117 117 LEU HA H 117 3.990 3.990 3.926 0.064 19817 6609 1 20 . 1 1 117 117 LEU CA C 117 58.460 58.460 58.036 0.424 19817 6610 1 20 . 1 1 117 117 LEU CB C 117 42.050 42.050 41.848 0.202 19817 6611 1 20 . 1 1 117 117 LEU H H 117 8.670 8.670 8.246 0.424 19817 6612 1 20 . 1 1 118 118 LYS N N 118 118.800 118.800 119.879 -1.079 19817 6613 1 20 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.888 -0.068 19817 6614 1 20 . 1 1 118 118 LYS CA C 118 61.300 61.300 60.223 1.077 19817 6615 1 20 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.245 0.255 19817 6616 1 20 . 1 1 118 118 LYS H H 118 8.610 8.610 8.264 0.346 19817 6617 1 20 . 1 1 119 119 ILE N N 119 119.400 119.400 120.205 -0.805 19817 6618 1 20 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.619 0.191 19817 6619 1 20 . 1 1 119 119 ILE CA C 119 65.100 65.100 65.608 -0.508 19817 6620 1 20 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.775 0.425 19817 6621 1 20 . 1 1 119 119 ILE H H 119 8.180 8.180 8.208 -0.028 19817 6622 1 20 . 1 1 120 120 MET N N 120 119.340 119.340 120.122 -0.782 19817 6623 1 20 . 1 1 120 120 MET HA H 120 3.360 3.360 3.992 -0.632 19817 6624 1 20 . 1 1 120 120 MET CA C 120 57.100 57.100 59.306 -2.207 19817 6625 1 20 . 1 1 120 120 MET CB C 120 31.600 31.600 32.480 -0.880 19817 6626 1 20 . 1 1 120 120 MET H H 120 7.500 7.500 7.392 0.108 19817 6627 1 20 . 1 1 121 121 LEU N N 121 117.920 117.920 121.212 -3.292 19817 6628 1 20 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.132 -0.102 19817 6629 1 20 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.719 -0.119 19817 6630 1 20 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.734 0.966 19817 6631 1 20 . 1 1 121 121 LEU H H 121 8.520 8.520 8.459 0.061 19817 6632 1 20 . 1 1 122 122 GLN N N 122 120.780 120.780 118.709 2.071 19817 6633 1 20 . 1 1 122 122 GLN HA H 122 4.110 4.110 3.919 0.191 19817 6634 1 20 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.951 -0.151 19817 6635 1 20 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.698 -0.698 19817 6636 1 20 . 1 1 122 122 GLN H H 122 8.810 8.810 8.600 0.210 19817 6637 1 20 . 1 1 123 123 ALA N N 123 121.220 121.220 120.684 0.536 19817 6638 1 20 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.119 0.181 19817 6639 1 20 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.404 -0.804 19817 6640 1 20 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.705 -0.205 19817 6641 1 20 . 1 1 123 123 ALA H H 123 7.580 7.580 8.276 -0.696 19817 6642 1 20 . 1 1 124 124 THR N N 124 106.720 106.720 107.659 -0.939 19817 6643 1 20 . 1 1 124 124 THR HA H 124 4.050 4.050 4.267 -0.217 19817 6644 1 20 . 1 1 124 124 THR CA C 124 64.200 64.200 62.358 1.842 19817 6645 1 20 . 1 1 124 124 THR CB C 124 71.300 71.300 69.481 1.819 19817 6646 1 20 . 1 1 124 124 THR H H 124 7.490 7.490 7.685 -0.195 19817 6647 1 20 . 1 1 125 125 GLY N N 125 108.350 108.350 110.614 -2.264 19817 6648 1 20 . 1 1 125 125 GLY CA C 125 45.600 45.600 45.029 0.571 19817 6649 1 20 . 1 1 125 125 GLY H H 125 7.680 7.680 7.598 0.082 19817 6650 1 20 . 1 1 126 126 GLU N N 126 120.100 120.100 122.641 -2.541 19817 6651 1 20 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.418 -0.138 19817 6652 1 20 . 1 1 126 126 GLU CA C 126 55.200 55.200 55.612 -0.412 19817 6653 1 20 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.578 0.422 19817 6654 1 20 . 1 1 126 126 GLU H H 126 7.500 7.500 8.332 -0.832 19817 6655 1 20 . 1 1 127 127 THR N N 127 119.830 119.830 117.223 2.607 19817 6656 1 20 . 1 1 127 127 THR HA H 127 4.170 4.170 4.243 -0.073 19817 6657 1 20 . 1 1 127 127 THR CA C 127 63.700 63.700 63.061 0.639 19817 6658 1 20 . 1 1 127 127 THR CB C 127 68.800 68.800 69.406 -0.606 19817 6659 1 20 . 1 1 127 127 THR H H 127 8.650 8.650 8.219 0.431 19817 6660 1 20 . 1 1 128 128 ILE N N 128 128.630 128.630 123.461 5.169 19817 6661 1 20 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.314 0.326 19817 6662 1 20 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.397 -1.696 19817 6663 1 20 . 1 1 128 128 ILE CB C 128 38.200 38.200 40.859 -2.659 19817 6664 1 20 . 1 1 128 128 ILE H H 128 8.370 8.370 8.041 0.329 19817 6665 1 20 . 1 1 129 129 THR N N 129 119.830 119.830 117.048 2.782 19817 6666 1 20 . 1 1 129 129 THR HA H 129 4.750 4.750 4.505 0.245 19817 6667 1 20 . 1 1 129 129 THR CA C 129 59.700 59.700 60.556 -0.856 19817 6668 1 20 . 1 1 129 129 THR CB C 129 72.300 72.300 70.413 1.887 19817 6669 1 20 . 1 1 129 129 THR H H 129 9.680 9.680 8.254 1.426 19817 6670 1 20 . 1 1 130 130 GLU N N 130 119.760 119.760 122.079 -2.319 19817 6671 1 20 . 1 1 130 130 GLU HA H 130 4.030 4.030 3.949 0.081 19817 6672 1 20 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.888 -0.088 19817 6673 1 20 . 1 1 130 130 GLU CB C 130 29.100 29.100 29.041 0.059 19817 6674 1 20 . 1 1 130 130 GLU H H 130 8.920 8.920 9.049 -0.129 19817 6675 1 20 . 1 1 131 131 ASP N N 131 117.750 117.750 116.544 1.206 19817 6676 1 20 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.383 -0.003 19817 6677 1 20 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.278 0.022 19817 6678 1 20 . 1 1 131 131 ASP CB C 131 40.800 40.800 39.724 1.076 19817 6679 1 20 . 1 1 131 131 ASP H H 131 7.830 7.830 8.713 -0.883 19817 6680 1 20 . 1 1 132 132 ASP N N 132 119.880 119.880 120.365 -0.485 19817 6681 1 20 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.422 -0.202 19817 6682 1 20 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.231 0.969 19817 6683 1 20 . 1 1 132 132 ASP CB C 132 42.100 42.100 41.011 1.089 19817 6684 1 20 . 1 1 132 132 ASP H H 132 7.570 7.570 7.519 0.051 19817 6685 1 20 . 1 1 133 133 ILE N N 133 116.580 116.580 119.306 -2.726 19817 6686 1 20 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.713 -0.373 19817 6687 1 20 . 1 1 133 133 ILE CA C 133 65.500 65.500 64.075 1.425 19817 6688 1 20 . 1 1 133 133 ILE CB C 133 38.700 38.700 36.676 2.024 19817 6689 1 20 . 1 1 133 133 ILE H H 133 7.180 7.180 7.557 -0.377 19817 6690 1 20 . 1 1 134 134 GLU N N 134 117.740 117.740 120.635 -2.895 19817 6691 1 20 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.981 -0.091 19817 6692 1 20 . 1 1 134 134 GLU CA C 134 59.600 59.600 60.023 -0.423 19817 6693 1 20 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.438 0.662 19817 6694 1 20 . 1 1 134 134 GLU H H 134 8.150 8.150 8.268 -0.118 19817 6695 1 20 . 1 1 135 135 GLU N N 135 116.300 116.300 121.025 -4.725 19817 6696 1 20 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.097 0.123 19817 6697 1 20 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.228 -0.328 19817 6698 1 20 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.170 0.130 19817 6699 1 20 . 1 1 135 135 GLU H H 135 8.430 8.430 8.488 -0.058 19817 6700 1 20 . 1 1 136 136 LEU N N 136 120.700 120.700 120.604 0.096 19817 6701 1 20 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.187 0.073 19817 6702 1 20 . 1 1 136 136 LEU CA C 136 57.400 57.400 58.234 -0.834 19817 6703 1 20 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.626 0.074 19817 6704 1 20 . 1 1 136 136 LEU H H 136 8.100 8.100 7.921 0.179 19817 6705 1 20 . 1 1 137 137 MET N N 137 117.930 117.930 117.344 0.586 19817 6706 1 20 . 1 1 137 137 MET HA H 137 4.290 4.290 4.204 0.086 19817 6707 1 20 . 1 1 137 137 MET CA C 137 57.700 57.700 59.254 -1.554 19817 6708 1 20 . 1 1 137 137 MET CB C 137 30.600 30.600 32.465 -1.865 19817 6709 1 20 . 1 1 137 137 MET H H 137 8.180 8.180 7.773 0.407 19817 6710 1 20 . 1 1 138 138 LYS N N 138 117.370 117.370 120.335 -2.965 19817 6711 1 20 . 1 1 138 138 LYS HA H 138 4.070 4.070 3.989 0.081 19817 6712 1 20 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.502 -0.502 19817 6713 1 20 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.309 0.291 19817 6714 1 20 . 1 1 138 138 LYS H H 138 8.060 8.060 8.528 -0.468 19817 6715 1 20 . 1 1 139 139 ASP N N 139 117.330 117.330 116.658 0.672 19817 6716 1 20 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.446 -0.066 19817 6717 1 20 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.377 0.323 19817 6718 1 20 . 1 1 139 139 ASP CB C 139 43.200 43.200 41.036 2.164 19817 6719 1 20 . 1 1 139 139 ASP H H 139 7.650 7.650 8.090 -0.440 19817 6720 1 20 . 1 1 140 140 GLY N N 140 101.850 101.850 104.672 -2.822 19817 6721 1 20 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.765 1.435 19817 6722 1 20 . 1 1 140 140 GLY H H 140 7.850 7.850 7.692 0.158 19817 6723 1 20 . 1 1 141 141 ASP N N 141 120.420 120.420 123.163 -2.743 19817 6724 1 20 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.832 -0.262 19817 6725 1 20 . 1 1 141 141 ASP CA C 141 53.200 53.200 54.263 -1.063 19817 6726 1 20 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.794 -1.294 19817 6727 1 20 . 1 1 141 141 ASP H H 141 8.500 8.500 8.750 -0.250 19817 6728 1 20 . 1 1 142 142 LYS N N 142 125.890 125.890 127.073 -1.183 19817 6729 1 20 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.096 0.054 19817 6730 1 20 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.783 -0.883 19817 6731 1 20 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.229 0.771 19817 6732 1 20 . 1 1 142 142 LYS H H 142 7.740 7.740 8.350 -0.610 19817 6733 1 20 . 1 1 143 143 ASN N N 143 113.610 113.610 117.405 -3.795 19817 6734 1 20 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.739 0.061 19817 6735 1 20 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.186 -1.486 19817 6736 1 20 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.981 -1.781 19817 6737 1 20 . 1 1 143 143 ASN H H 143 8.120 8.120 8.214 -0.094 19817 6738 1 20 . 1 1 144 144 ASN N N 144 115.900 115.900 116.294 -0.394 19817 6739 1 20 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.480 0.020 19817 6740 1 20 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.480 0.620 19817 6741 1 20 . 1 1 144 144 ASN CB C 144 37.800 37.800 36.638 1.162 19817 6742 1 20 . 1 1 144 144 ASN H H 144 7.720 7.720 7.875 -0.155 19817 6743 1 20 . 1 1 145 145 ASP N N 145 118.570 118.570 116.645 1.925 19817 6744 1 20 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.705 0.005 19817 6745 1 20 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.491 -0.491 19817 6746 1 20 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.410 0.590 19817 6747 1 20 . 1 1 145 145 ASP H H 145 8.680 8.680 8.204 0.476 19817 6748 1 20 . 1 1 146 146 GLY N N 146 112.940 112.940 108.116 4.824 19817 6749 1 20 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.649 0.051 19817 6750 1 20 . 1 1 146 146 GLY H H 146 10.320 10.320 8.433 1.887 19817 6751 1 20 . 1 1 147 147 ARG N N 147 115.440 115.440 115.808 -0.368 19817 6752 1 20 . 1 1 147 147 ARG HA H 147 4.910 4.910 5.164 -0.254 19817 6753 1 20 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.286 -0.286 19817 6754 1 20 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.132 1.268 19817 6755 1 20 . 1 1 147 147 ARG H H 147 7.690 7.690 8.522 -0.832 19817 6756 1 20 . 1 1 148 148 ILE N N 148 126.090 126.090 122.740 3.350 19817 6757 1 20 . 1 1 148 148 ILE HA H 148 5.050 5.050 5.091 -0.041 19817 6758 1 20 . 1 1 148 148 ILE CA C 148 60.600 60.600 60.594 0.006 19817 6759 1 20 . 1 1 148 148 ILE CB C 148 40.000 40.000 39.116 0.884 19817 6760 1 20 . 1 1 148 148 ILE H H 148 9.430 9.430 8.958 0.472 19817 6761 1 20 . 1 1 149 149 ASP N N 149 129.170 129.170 128.675 0.495 19817 6762 1 20 . 1 1 149 149 ASP HA H 149 5.160 5.160 5.158 0.002 19817 6763 1 20 . 1 1 149 149 ASP CA C 149 52.500 52.500 52.519 -0.019 19817 6764 1 20 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.689 -1.789 19817 6765 1 20 . 1 1 149 149 ASP H H 149 9.390 9.390 9.536 -0.146 19817 6766 1 20 . 1 1 150 150 TYR N N 150 118.600 118.600 124.297 -5.697 19817 6767 1 20 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.901 -0.521 19817 6768 1 20 . 1 1 150 150 TYR CA C 150 62.200 62.200 63.302 -1.102 19817 6769 1 20 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.509 -0.309 19817 6770 1 20 . 1 1 150 150 TYR H H 150 8.420 8.420 8.881 -0.461 19817 6771 1 20 . 1 1 151 151 ASP N N 151 118.060 118.060 117.895 0.165 19817 6772 1 20 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.249 -0.169 19817 6773 1 20 . 1 1 151 151 ASP CA C 151 57.900 57.900 58.004 -0.104 19817 6774 1 20 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.759 -0.159 19817 6775 1 20 . 1 1 151 151 ASP H H 151 7.740 7.740 8.554 -0.814 19817 6776 1 20 . 1 1 152 152 GLU N N 152 120.480 120.480 119.860 0.620 19817 6777 1 20 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.135 -0.105 19817 6778 1 20 . 1 1 152 152 GLU CA C 152 58.700 58.700 59.117 -0.417 19817 6779 1 20 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.926 -0.226 19817 6780 1 20 . 1 1 152 152 GLU H H 152 8.880 8.880 8.051 0.829 19817 6781 1 20 . 1 1 153 153 PHE N N 153 124.990 124.990 121.192 3.798 19817 6782 1 20 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.209 -0.209 19817 6783 1 20 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.173 0.627 19817 6784 1 20 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.475 0.325 19817 6785 1 20 . 1 1 153 153 PHE H H 153 9.280 9.280 8.679 0.601 19817 6786 1 20 . 1 1 154 154 LEU N N 154 117.780 117.780 117.967 -0.187 19817 6787 1 20 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.630 0.020 19817 6788 1 20 . 1 1 154 154 LEU CA C 154 58.200 58.200 58.554 -0.354 19817 6789 1 20 . 1 1 154 154 LEU CB C 154 41.400 41.400 41.035 0.365 19817 6790 1 20 . 1 1 154 154 LEU H H 154 7.880 7.880 8.729 -0.849 19817 6791 1 20 . 1 1 155 155 GLU N N 155 116.556 116.556 118.762 -2.206 19817 6792 1 20 . 1 1 155 155 GLU HA H 155 4.050 4.050 4.252 -0.202 19817 6793 1 20 . 1 1 155 155 GLU CA C 155 58.900 58.900 58.803 0.097 19817 6794 1 20 . 1 1 155 155 GLU CB C 155 29.500 29.500 29.179 0.321 19817 6795 1 20 . 1 1 155 155 GLU H H 155 6.910 6.910 8.279 -1.369 19817 6796 1 20 . 1 1 156 156 PHE N N 156 121.800 121.800 117.903 3.897 19817 6797 1 20 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.125 -0.005 19817 6798 1 20 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.229 -2.629 19817 6799 1 20 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.791 2.109 19817 6800 1 20 . 1 1 156 156 PHE H H 156 8.610 8.610 7.689 0.921 19817 6801 1 20 . 1 1 157 157 MET N N 157 111.800 111.800 114.672 -2.872 19817 6802 1 20 . 1 1 157 157 MET HA H 157 4.360 4.360 4.482 -0.122 19817 6803 1 20 . 1 1 157 157 MET CA C 157 53.300 53.300 56.463 -3.163 19817 6804 1 20 . 1 1 157 157 MET CB C 157 32.500 32.500 34.290 -1.790 19817 6805 1 20 . 1 1 157 157 MET H H 157 7.490 7.490 7.375 0.115 19817 6806 1 20 . 1 1 158 158 LYS N N 158 121.970 121.970 118.686 3.284 19817 6807 1 20 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.159 -0.209 19817 6808 1 20 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.045 1.255 19817 6809 1 20 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.788 -0.388 19817 6810 1 20 . 1 1 158 158 LYS H H 158 7.110 7.110 8.244 -1.134 19817 6811 1 20 . 1 1 159 159 ASP N N 159 116.800 116.800 121.262 -4.462 19817 6812 1 20 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.649 -0.209 19817 6813 1 20 . 1 1 159 159 ASP CA C 159 54.900 54.900 55.513 -0.613 19817 6814 1 20 . 1 1 159 159 ASP CB C 159 40.400 40.400 39.782 0.618 19817 6815 1 20 . 1 1 159 159 ASP H H 159 8.470 8.470 7.733 0.737 19817 6816 1 20 . 1 1 160 160 VAL N N 160 119.800 119.800 116.965 2.835 19817 6817 1 20 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.328 -0.538 19817 6818 1 20 . 1 1 160 160 VAL CA C 160 63.300 63.300 62.300 1.000 19817 6819 1 20 . 1 1 160 160 VAL CB C 160 32.100 32.100 33.338 -1.238 19817 6820 1 20 . 1 1 160 160 VAL H H 160 7.270 7.270 7.676 -0.406 19817 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 70 3.060 -0.038 3.082 19817 2 1 1 "Average Difference" HA 75 0.438 -0.012 0.441 19817 3 1 1 "Average Difference" C 1 64.374 64.374 0.000 19817 4 1 1 "Average Difference" CA 70 1.146 0.095 1.151 19817 5 1 1 "Average Difference" CB 65 1.206 -0.275 1.183 19817 6 1 1 "Average Difference" HN 70 0.711 -0.050 0.714 19817 7 1 2 "Average Difference" N 70 2.890 0.185 2.905 19817 8 1 2 "Average Difference" HA 75 0.396 -0.010 0.399 19817 9 1 2 "Average Difference" C 1 64.476 64.476 0.000 19817 10 1 2 "Average Difference" CA 70 1.141 0.233 1.124 19817 11 1 2 "Average Difference" CB 65 1.310 -0.399 1.257 19817 12 1 2 "Average Difference" HN 70 0.760 0.027 0.765 19817 13 1 3 "Average Difference" N 70 3.086 0.411 3.080 19817 14 1 3 "Average Difference" HA 75 0.386 0.020 0.388 19817 15 1 3 "Average Difference" C 1 64.360 64.360 0.000 19817 16 1 3 "Average Difference" CA 70 0.976 0.115 0.976 19817 17 1 3 "Average Difference" CB 65 1.070 -0.275 1.042 19817 18 1 3 "Average Difference" HN 70 0.701 -0.020 0.706 19817 19 1 4 "Average Difference" N 70 3.646 -0.074 3.671 19817 20 1 4 "Average Difference" HA 75 0.425 0.054 0.425 19817 21 1 4 "Average Difference" C 1 63.774 63.774 0.000 19817 22 1 4 "Average Difference" CA 70 1.448 0.253 1.436 19817 23 1 4 "Average Difference" CB 65 1.266 -0.322 1.234 19817 24 1 4 "Average Difference" HN 70 0.714 -0.018 0.719 19817 25 1 5 "Average Difference" N 70 3.254 0.360 3.257 19817 26 1 5 "Average Difference" HA 75 0.419 0.008 0.421 19817 27 1 5 "Average Difference" C 1 64.390 64.390 0.000 19817 28 1 5 "Average Difference" CA 70 1.265 0.115 1.269 19817 29 1 5 "Average Difference" CB 65 1.200 -0.211 1.190 19817 30 1 5 "Average Difference" HN 70 0.696 -0.053 0.699 19817 31 1 6 "Average Difference" N 70 3.069 0.043 3.091 19817 32 1 6 "Average Difference" HA 75 0.371 0.033 0.372 19817 33 1 6 "Average Difference" C 1 64.310 64.310 0.000 19817 34 1 6 "Average Difference" CA 70 1.092 0.205 1.080 19817 35 1 6 "Average Difference" CB 65 1.088 -0.230 1.071 19817 36 1 6 "Average Difference" HN 70 0.719 0.046 0.723 19817 37 1 7 "Average Difference" N 70 2.665 0.304 2.667 19817 38 1 7 "Average Difference" HA 75 0.383 0.037 0.384 19817 39 1 7 "Average Difference" C 1 64.193 64.193 0.000 19817 40 1 7 "Average Difference" CA 70 1.241 0.180 1.237 19817 41 1 7 "Average Difference" CB 65 1.255 -0.201 1.249 19817 42 1 7 "Average Difference" HN 70 0.700 -0.009 0.705 19817 43 1 8 "Average Difference" N 70 3.012 0.215 3.026 19817 44 1 8 "Average Difference" HA 75 0.341 0.031 0.342 19817 45 1 8 "Average Difference" C 1 64.304 64.304 0.000 19817 46 1 8 "Average Difference" CA 70 1.188 0.124 1.190 19817 47 1 8 "Average Difference" CB 65 1.210 -0.225 1.198 19817 48 1 8 "Average Difference" HN 70 0.732 -0.064 0.734 19817 49 1 9 "Average Difference" N 70 2.696 0.261 2.703 19817 50 1 9 "Average Difference" HA 75 0.353 0.038 0.353 19817 51 1 9 "Average Difference" C 1 64.283 64.283 0.000 19817 52 1 9 "Average Difference" CA 70 1.007 0.084 1.011 19817 53 1 9 "Average Difference" CB 65 0.989 -0.159 0.983 19817 54 1 9 "Average Difference" HN 70 0.767 0.014 0.772 19817 55 1 10 "Average Difference" N 70 2.946 -0.031 2.968 19817 56 1 10 "Average Difference" HA 75 0.363 0.032 0.364 19817 57 1 10 "Average Difference" C 1 64.567 64.567 0.000 19817 58 1 10 "Average Difference" CA 70 1.239 0.096 1.244 19817 59 1 10 "Average Difference" CB 65 1.135 -0.191 1.128 19817 60 1 10 "Average Difference" HN 70 0.701 -0.025 0.705 19817 61 1 11 "Average Difference" N 70 2.945 0.223 2.958 19817 62 1 11 "Average Difference" HA 75 0.353 0.037 0.353 19817 63 1 11 "Average Difference" C 1 64.221 64.221 0.000 19817 64 1 11 "Average Difference" CA 70 1.309 0.268 1.290 19817 65 1 11 "Average Difference" CB 65 1.145 -0.179 1.139 19817 66 1 11 "Average Difference" HN 70 0.676 0.031 0.680 19817 67 1 12 "Average Difference" N 70 3.170 0.145 3.189 19817 68 1 12 "Average Difference" HA 75 0.400 0.027 0.402 19817 69 1 12 "Average Difference" C 1 64.016 64.016 0.000 19817 70 1 12 "Average Difference" CA 70 1.112 -0.002 1.120 19817 71 1 12 "Average Difference" CB 65 1.368 -0.139 1.371 19817 72 1 12 "Average Difference" HN 70 0.737 0.055 0.741 19817 73 1 13 "Average Difference" N 70 3.019 0.193 3.034 19817 74 1 13 "Average Difference" HA 75 0.448 0.049 0.448 19817 75 1 13 "Average Difference" C 1 63.843 63.843 0.000 19817 76 1 13 "Average Difference" CA 70 1.207 0.110 1.210 19817 77 1 13 "Average Difference" CB 65 1.038 -0.271 1.010 19817 78 1 13 "Average Difference" HN 70 0.726 -0.020 0.731 19817 79 1 14 "Average Difference" N 70 3.004 0.047 3.026 19817 80 1 14 "Average Difference" HA 75 0.447 0.036 0.449 19817 81 1 14 "Average Difference" C 1 63.894 63.894 0.000 19817 82 1 14 "Average Difference" CA 70 1.110 0.105 1.113 19817 83 1 14 "Average Difference" CB 65 1.084 -0.193 1.075 19817 84 1 14 "Average Difference" HN 70 0.732 0.003 0.737 19817 85 1 15 "Average Difference" N 70 3.231 0.151 3.250 19817 86 1 15 "Average Difference" HA 75 0.411 -0.009 0.414 19817 87 1 15 "Average Difference" C 1 64.011 64.011 0.000 19817 88 1 15 "Average Difference" CA 70 1.301 0.250 1.286 19817 89 1 15 "Average Difference" CB 65 1.094 -0.145 1.093 19817 90 1 15 "Average Difference" HN 70 0.700 0.019 0.704 19817 91 1 16 "Average Difference" N 70 3.052 0.334 3.056 19817 92 1 16 "Average Difference" HA 75 0.364 0.013 0.366 19817 93 1 16 "Average Difference" C 1 64.068 64.068 0.000 19817 94 1 16 "Average Difference" CA 70 1.157 0.204 1.147 19817 95 1 16 "Average Difference" CB 65 1.174 -0.246 1.156 19817 96 1 16 "Average Difference" HN 70 0.746 0.007 0.751 19817 97 1 17 "Average Difference" N 70 3.157 0.350 3.160 19817 98 1 17 "Average Difference" HA 75 0.363 -0.015 0.365 19817 99 1 17 "Average Difference" C 1 63.949 63.949 0.000 19817 100 1 17 "Average Difference" CA 70 1.137 0.240 1.120 19817 101 1 17 "Average Difference" CB 65 1.103 -0.246 1.084 19817 102 1 17 "Average Difference" HN 70 0.642 -0.052 0.645 19817 103 1 18 "Average Difference" N 70 3.161 0.189 3.178 19817 104 1 18 "Average Difference" HA 75 0.501 0.037 0.503 19817 105 1 18 "Average Difference" C 1 64.278 64.278 0.000 19817 106 1 18 "Average Difference" CA 70 1.219 0.091 1.224 19817 107 1 18 "Average Difference" CB 65 1.131 -0.253 1.111 19817 108 1 18 "Average Difference" HN 70 0.754 0.009 0.759 19817 109 1 19 "Average Difference" N 70 2.936 0.188 2.951 19817 110 1 19 "Average Difference" HA 75 0.438 0.026 0.440 19817 111 1 19 "Average Difference" C 1 64.237 64.237 0.000 19817 112 1 19 "Average Difference" CA 70 1.125 0.225 1.110 19817 113 1 19 "Average Difference" CB 65 1.089 -0.144 1.088 19817 114 1 19 "Average Difference" HN 70 0.730 -0.007 0.735 19817 115 1 20 "Average Difference" N 70 2.795 0.313 2.797 19817 116 1 20 "Average Difference" HA 75 0.347 0.028 0.348 19817 117 1 20 "Average Difference" C 1 64.319 64.319 0.000 19817 118 1 20 "Average Difference" CA 70 1.047 0.293 1.012 19817 119 1 20 "Average Difference" CB 65 1.145 -0.153 1.143 19817 120 1 20 "Average Difference" HN 70 0.733 0.080 0.734 19817 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 19817 _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 91 91 GLY N N 91 123.830 123.830 111.006 12.824 19817 2 1 . 1 1 91 91 GLY CA C 91 45.000 45.000 45.576 -0.576 19817 3 1 . 1 1 91 91 GLY H H 91 6.020 6.020 8.707 -2.687 19817 4 1 . 1 1 92 92 LYS N N 92 121.100 121.100 120.840 0.260 19817 5 1 . 1 1 92 92 LYS HA H 92 4.430 4.430 4.430 -0.001 19817 6 1 . 1 1 92 92 LYS CA C 92 56.000 56.000 56.366 -0.366 19817 7 1 . 1 1 92 92 LYS CB C 92 33.800 33.800 33.237 0.563 19817 8 1 . 1 1 92 92 LYS H H 92 8.610 8.610 8.418 0.192 19817 9 1 . 1 1 93 93 SER N N 93 117.190 117.190 116.522 0.668 19817 10 1 . 1 1 93 93 SER HA H 93 4.470 4.470 4.664 -0.194 19817 11 1 . 1 1 93 93 SER CA C 93 58.100 58.100 57.632 0.468 19817 12 1 . 1 1 93 93 SER CB C 93 65.000 65.000 65.104 -0.104 19817 13 1 . 1 1 93 93 SER H H 93 8.760 8.760 8.529 0.231 19817 14 1 . 1 1 94 94 GLU N N 94 122.350 122.350 124.401 -2.051 19817 15 1 . 1 1 94 94 GLU HA H 94 4.000 4.000 4.059 -0.059 19817 16 1 . 1 1 94 94 GLU CA C 94 60.000 60.000 59.898 0.102 19817 17 1 . 1 1 94 94 GLU CB C 94 29.100 29.100 29.404 -0.304 19817 18 1 . 1 1 94 94 GLU H H 94 8.890 8.890 8.996 -0.106 19817 19 1 . 1 1 95 95 GLU N N 95 119.160 119.160 119.102 0.058 19817 20 1 . 1 1 95 95 GLU HA H 95 4.090 4.090 4.096 -0.006 19817 21 1 . 1 1 95 95 GLU CA C 95 59.700 59.700 59.614 0.086 19817 22 1 . 1 1 95 95 GLU CB C 95 29.200 29.200 29.028 0.172 19817 23 1 . 1 1 95 95 GLU H H 95 8.610 8.610 8.870 -0.260 19817 24 1 . 1 1 96 96 GLU N N 96 120.300 120.300 120.028 0.273 19817 25 1 . 1 1 96 96 GLU HA H 96 4.290 4.290 4.144 0.146 19817 26 1 . 1 1 96 96 GLU CA C 96 59.000 59.000 59.063 -0.063 19817 27 1 . 1 1 96 96 GLU CB C 96 30.200 30.200 29.442 0.759 19817 28 1 . 1 1 96 96 GLU H H 96 7.930 7.930 7.757 0.173 19817 29 1 . 1 1 97 97 LEU N N 97 119.340 119.340 120.002 -0.662 19817 30 1 . 1 1 97 97 LEU HA H 97 4.270 4.270 4.195 0.075 19817 31 1 . 1 1 97 97 LEU CA C 97 58.500 58.500 58.000 0.500 19817 32 1 . 1 1 97 97 LEU CB C 97 41.900 41.900 41.811 0.089 19817 33 1 . 1 1 97 97 LEU H H 97 8.520 8.520 7.925 0.595 19817 34 1 . 1 1 98 98 SER N N 98 115.800 115.800 115.349 0.451 19817 35 1 . 1 1 98 98 SER HA H 98 4.280 4.280 4.258 0.022 19817 36 1 . 1 1 98 98 SER CA C 98 62.300 62.300 62.528 -0.228 19817 37 1 . 1 1 98 98 SER CB C 98 62.500 62.500 62.730 -0.230 19817 38 1 . 1 1 98 98 SER H H 98 8.700 8.700 8.644 0.056 19817 39 1 . 1 1 99 99 ASP N N 99 121.600 121.600 122.663 -1.063 19817 40 1 . 1 1 99 99 ASP HA H 99 4.700 4.700 4.485 0.215 19817 41 1 . 1 1 99 99 ASP CA C 99 58.500 58.500 57.314 1.186 19817 42 1 . 1 1 99 99 ASP CB C 99 41.400 41.400 40.994 0.406 19817 43 1 . 1 1 99 99 ASP H H 99 7.510 7.510 7.921 -0.411 19817 44 1 . 1 1 100 100 LEU N N 100 117.900 117.900 119.887 -1.987 19817 45 1 . 1 1 100 100 LEU HA H 100 4.150 4.150 4.181 -0.031 19817 46 1 . 1 1 100 100 LEU CA C 100 58.300 58.300 57.766 0.534 19817 47 1 . 1 1 100 100 LEU CB C 100 41.600 41.600 41.891 -0.291 19817 48 1 . 1 1 100 100 LEU H H 100 8.170 8.170 7.991 0.179 19817 49 1 . 1 1 101 101 PHE N N 101 120.490 120.490 119.874 0.616 19817 50 1 . 1 1 101 101 PHE HA H 101 4.270 4.270 2.839 1.430 19817 51 1 . 1 1 101 101 PHE CA C 101 62.200 62.200 61.323 0.877 19817 52 1 . 1 1 101 101 PHE CB C 101 39.200 39.200 38.680 0.520 19817 53 1 . 1 1 101 101 PHE H H 101 8.760 8.760 8.397 0.363 19817 54 1 . 1 1 102 102 ARG N N 102 115.520 115.520 118.181 -2.661 19817 55 1 . 1 1 102 102 ARG HA H 102 3.970 3.970 3.902 0.068 19817 56 1 . 1 1 102 102 ARG CA C 102 59.200 59.200 59.192 0.008 19817 57 1 . 1 1 102 102 ARG CB C 102 30.400 30.400 29.929 0.471 19817 58 1 . 1 1 102 102 ARG H H 102 7.470 7.470 8.076 -0.606 19817 59 1 . 1 1 103 103 MET N N 103 114.150 114.150 116.783 -2.633 19817 60 1 . 1 1 103 103 MET HA H 103 4.370 4.370 4.097 0.273 19817 61 1 . 1 1 103 103 MET CA C 103 55.900 55.900 58.231 -2.331 19817 62 1 . 1 1 103 103 MET CB C 103 34.300 34.300 32.379 1.921 19817 63 1 . 1 1 103 103 MET H H 103 7.590 7.590 7.551 0.039 19817 64 1 . 1 1 104 104 PHE N N 104 115.060 115.060 118.081 -3.021 19817 65 1 . 1 1 104 104 PHE HA H 104 4.290 4.290 4.318 -0.028 19817 66 1 . 1 1 104 104 PHE CA C 104 59.400 59.400 60.030 -0.630 19817 67 1 . 1 1 104 104 PHE CB C 104 41.700 41.700 39.124 2.576 19817 68 1 . 1 1 104 104 PHE H H 104 7.380 7.380 7.540 -0.160 19817 69 1 . 1 1 105 105 ASP N N 105 116.710 116.710 118.273 -1.563 19817 70 1 . 1 1 105 105 ASP HA H 105 4.420 4.420 4.743 -0.323 19817 71 1 . 1 1 105 105 ASP CA C 105 52.400 52.400 53.719 -1.319 19817 72 1 . 1 1 105 105 ASP CB C 105 39.000 39.000 40.758 -1.758 19817 73 1 . 1 1 105 105 ASP H H 105 7.270 7.270 7.923 -0.653 19817 74 1 . 1 1 106 106 LYS N N 106 124.270 124.270 125.558 -1.288 19817 75 1 . 1 1 106 106 LYS HA H 106 4.030 4.030 4.176 -0.146 19817 76 1 . 1 1 106 106 LYS C C 106 113.428 113.428 177.621 -64.193 19817 77 1 . 1 1 106 106 LYS CA C 106 58.200 58.200 57.821 0.379 19817 78 1 . 1 1 106 106 LYS CB C 106 32.900 32.900 32.687 0.213 19817 79 1 . 1 1 106 106 LYS H H 106 7.510 7.510 8.414 -0.904 19817 80 1 . 1 1 107 107 ASN N N 107 113.600 113.600 116.059 -2.459 19817 81 1 . 1 1 107 107 ASN HA H 107 4.730 4.730 4.707 0.023 19817 82 1 . 1 1 107 107 ASN CA C 107 51.700 51.700 53.049 -1.349 19817 83 1 . 1 1 107 107 ASN CB C 107 36.900 36.900 38.864 -1.964 19817 84 1 . 1 1 107 107 ASN H H 107 8.000 8.000 8.102 -0.102 19817 85 1 . 1 1 108 108 ALA N N 108 121.600 121.600 120.034 1.566 19817 86 1 . 1 1 108 108 ALA HA H 108 4.070 4.070 4.082 -0.012 19817 87 1 . 1 1 108 108 ALA CA C 108 53.300 53.300 53.275 0.025 19817 88 1 . 1 1 108 108 ALA CB C 108 17.100 17.100 16.746 0.354 19817 89 1 . 1 1 108 108 ALA H H 108 7.810 7.810 7.869 -0.059 19817 90 1 . 1 1 109 109 ASP N N 109 118.480 118.480 117.741 0.739 19817 91 1 . 1 1 109 109 ASP HA H 109 4.700 4.700 4.566 0.134 19817 92 1 . 1 1 109 109 ASP CA C 109 53.200 53.200 54.059 -0.859 19817 93 1 . 1 1 109 109 ASP CB C 109 41.000 41.000 41.221 -0.221 19817 94 1 . 1 1 109 109 ASP H H 109 8.520 8.520 8.151 0.369 19817 95 1 . 1 1 110 110 GLY N N 110 112.250 112.250 106.614 5.636 19817 96 1 . 1 1 110 110 GLY CA C 110 45.000 45.000 45.076 -0.076 19817 97 1 . 1 1 110 110 GLY H H 110 10.400 10.400 8.568 1.832 19817 98 1 . 1 1 111 111 TYR N N 111 115.590 115.590 119.038 -3.448 19817 99 1 . 1 1 111 111 TYR HA H 111 5.170 5.170 5.352 -0.182 19817 100 1 . 1 1 111 111 TYR CA C 111 56.100 56.100 56.929 -0.829 19817 101 1 . 1 1 111 111 TYR CB C 111 43.100 43.100 41.520 1.579 19817 102 1 . 1 1 111 111 TYR H H 111 8.000 8.000 8.421 -0.421 19817 103 1 . 1 1 112 112 ILE N N 112 125.560 125.560 123.475 2.085 19817 104 1 . 1 1 112 112 ILE HA H 112 4.760 4.760 4.356 0.404 19817 105 1 . 1 1 112 112 ILE CA C 112 60.600 60.600 61.085 -0.485 19817 106 1 . 1 1 112 112 ILE CB C 112 39.000 39.000 38.596 0.404 19817 107 1 . 1 1 112 112 ILE H H 112 9.830 9.830 9.275 0.555 19817 108 1 . 1 1 113 113 ASP N N 113 128.350 128.350 126.887 1.463 19817 109 1 . 1 1 113 113 ASP HA H 113 4.960 4.960 5.036 -0.076 19817 110 1 . 1 1 113 113 ASP CA C 113 52.000 52.000 52.817 -0.817 19817 111 1 . 1 1 113 113 ASP CB C 113 42.200 42.200 43.793 -1.593 19817 112 1 . 1 1 113 113 ASP H H 113 9.030 9.030 8.873 0.157 19817 113 1 . 1 1 114 114 LEU N N 114 118.300 118.300 122.340 -4.040 19817 114 1 . 1 1 114 114 LEU HA H 114 3.980 3.980 4.051 -0.071 19817 115 1 . 1 1 114 114 LEU CA C 114 58.800 58.800 58.506 0.294 19817 116 1 . 1 1 114 114 LEU CB C 114 42.600 42.600 41.912 0.688 19817 117 1 . 1 1 114 114 LEU H H 114 8.530 8.530 8.731 -0.201 19817 118 1 . 1 1 115 115 ASP N N 115 118.300 118.300 118.688 -0.388 19817 119 1 . 1 1 115 115 ASP HA H 115 4.370 4.370 4.318 0.052 19817 120 1 . 1 1 115 115 ASP CA C 115 58.000 58.000 57.935 0.065 19817 121 1 . 1 1 115 115 ASP CB C 115 40.640 40.640 40.445 0.195 19817 122 1 . 1 1 115 115 ASP H H 115 7.920 7.920 8.765 -0.845 19817 123 1 . 1 1 116 116 GLU N N 116 121.400 121.400 120.034 1.366 19817 124 1 . 1 1 116 116 GLU HA H 116 4.630 4.630 4.028 0.602 19817 125 1 . 1 1 116 116 GLU CA C 116 58.500 58.500 59.095 -0.595 19817 126 1 . 1 1 116 116 GLU CB C 116 29.400 29.400 29.513 -0.113 19817 127 1 . 1 1 116 116 GLU H H 116 8.670 8.670 7.901 0.769 19817 128 1 . 1 1 117 117 LEU N N 117 121.200 121.200 120.779 0.421 19817 129 1 . 1 1 117 117 LEU HA H 117 3.990 3.990 4.072 -0.083 19817 130 1 . 1 1 117 117 LEU CA C 117 58.460 58.460 57.825 0.635 19817 131 1 . 1 1 117 117 LEU CB C 117 42.050 42.050 42.060 -0.010 19817 132 1 . 1 1 117 117 LEU H H 117 8.670 8.670 8.324 0.346 19817 133 1 . 1 1 118 118 LYS N N 118 118.800 118.800 119.679 -0.879 19817 134 1 . 1 1 118 118 LYS HA H 118 3.820 3.820 3.930 -0.110 19817 135 1 . 1 1 118 118 LYS CA C 118 61.300 61.300 59.818 1.482 19817 136 1 . 1 1 118 118 LYS CB C 118 32.500 32.500 32.034 0.466 19817 137 1 . 1 1 118 118 LYS H H 118 8.610 8.610 8.061 0.549 19817 138 1 . 1 1 119 119 ILE N N 119 119.400 119.400 119.784 -0.384 19817 139 1 . 1 1 119 119 ILE HA H 119 3.810 3.810 3.755 0.055 19817 140 1 . 1 1 119 119 ILE CA C 119 65.100 65.100 64.832 0.268 19817 141 1 . 1 1 119 119 ILE CB C 119 38.200 38.200 37.589 0.611 19817 142 1 . 1 1 119 119 ILE H H 119 8.180 8.180 7.782 0.398 19817 143 1 . 1 1 120 120 MET N N 120 119.340 119.340 118.446 0.894 19817 144 1 . 1 1 120 120 MET HA H 120 3.360 3.360 4.029 -0.669 19817 145 1 . 1 1 120 120 MET CA C 120 57.100 57.100 59.071 -1.971 19817 146 1 . 1 1 120 120 MET CB C 120 31.600 31.600 32.250 -0.650 19817 147 1 . 1 1 120 120 MET H H 120 7.500 7.500 7.363 0.137 19817 148 1 . 1 1 121 121 LEU N N 121 117.920 117.920 120.524 -2.604 19817 149 1 . 1 1 121 121 LEU HA H 121 4.030 4.030 4.109 -0.079 19817 150 1 . 1 1 121 121 LEU CA C 121 57.600 57.600 57.441 0.159 19817 151 1 . 1 1 121 121 LEU CB C 121 41.700 41.700 40.818 0.882 19817 152 1 . 1 1 121 121 LEU H H 121 8.520 8.520 8.029 0.491 19817 153 1 . 1 1 122 122 GLN N N 122 120.780 120.780 118.649 2.131 19817 154 1 . 1 1 122 122 GLN HA H 122 4.110 4.110 4.065 0.045 19817 155 1 . 1 1 122 122 GLN CA C 122 58.800 58.800 58.628 0.172 19817 156 1 . 1 1 122 122 GLN CB C 122 28.000 28.000 28.337 -0.337 19817 157 1 . 1 1 122 122 GLN H H 122 8.810 8.810 8.538 0.272 19817 158 1 . 1 1 123 123 ALA N N 123 121.220 121.220 120.780 0.440 19817 159 1 . 1 1 123 123 ALA HA H 123 4.300 4.300 4.152 0.148 19817 160 1 . 1 1 123 123 ALA CA C 123 53.600 53.600 54.463 -0.863 19817 161 1 . 1 1 123 123 ALA CB C 123 18.500 18.500 18.582 -0.082 19817 162 1 . 1 1 123 123 ALA H H 123 7.580 7.580 7.752 -0.172 19817 163 1 . 1 1 124 124 THR N N 124 106.720 106.720 109.982 -3.262 19817 164 1 . 1 1 124 124 THR HA H 124 4.050 4.050 4.211 -0.161 19817 165 1 . 1 1 124 124 THR CA C 124 64.200 64.200 63.209 0.990 19817 166 1 . 1 1 124 124 THR CB C 124 71.300 71.300 69.384 1.917 19817 167 1 . 1 1 124 124 THR H H 124 7.490 7.490 7.647 -0.157 19817 168 1 . 1 1 125 125 GLY N N 125 108.350 108.350 109.853 -1.503 19817 169 1 . 1 1 125 125 GLY CA C 125 45.600 45.600 44.889 0.711 19817 170 1 . 1 1 125 125 GLY H H 125 7.680 7.680 7.785 -0.105 19817 171 1 . 1 1 126 126 GLU N N 126 120.100 120.100 121.185 -1.085 19817 172 1 . 1 1 126 126 GLU HA H 126 4.280 4.280 4.333 -0.053 19817 173 1 . 1 1 126 126 GLU CA C 126 55.200 55.200 56.691 -1.491 19817 174 1 . 1 1 126 126 GLU CB C 126 31.000 31.000 30.159 0.841 19817 175 1 . 1 1 126 126 GLU H H 126 7.500 7.500 8.348 -0.848 19817 176 1 . 1 1 127 127 THR N N 127 119.830 119.830 116.300 3.530 19817 177 1 . 1 1 127 127 THR HA H 127 4.170 4.170 4.426 -0.256 19817 178 1 . 1 1 127 127 THR CA C 127 63.700 63.700 61.979 1.721 19817 179 1 . 1 1 127 127 THR CB C 127 68.800 68.800 69.468 -0.668 19817 180 1 . 1 1 127 127 THR H H 127 8.650 8.650 8.224 0.426 19817 181 1 . 1 1 128 128 ILE N N 128 128.630 128.630 124.400 4.230 19817 182 1 . 1 1 128 128 ILE HA H 128 4.640 4.640 4.386 0.254 19817 183 1 . 1 1 128 128 ILE CA C 128 57.700 57.700 59.409 -1.709 19817 184 1 . 1 1 128 128 ILE CB C 128 38.200 38.200 39.624 -1.424 19817 185 1 . 1 1 128 128 ILE H H 128 8.370 8.370 8.284 0.086 19817 186 1 . 1 1 129 129 THR N N 129 119.830 119.830 117.008 2.822 19817 187 1 . 1 1 129 129 THR HA H 129 4.750 4.750 4.439 0.311 19817 188 1 . 1 1 129 129 THR CA C 129 59.700 59.700 60.937 -1.237 19817 189 1 . 1 1 129 129 THR CB C 129 72.300 72.300 70.149 2.151 19817 190 1 . 1 1 129 129 THR H H 129 9.680 9.680 8.290 1.390 19817 191 1 . 1 1 130 130 GLU N N 130 119.760 119.760 121.049 -1.289 19817 192 1 . 1 1 130 130 GLU HA H 130 4.030 4.030 4.004 0.026 19817 193 1 . 1 1 130 130 GLU CA C 130 59.800 59.800 59.584 0.216 19817 194 1 . 1 1 130 130 GLU CB C 130 29.100 29.100 28.879 0.221 19817 195 1 . 1 1 130 130 GLU H H 130 8.920 8.920 8.846 0.074 19817 196 1 . 1 1 131 131 ASP N N 131 117.750 117.750 118.096 -0.346 19817 197 1 . 1 1 131 131 ASP HA H 131 4.380 4.380 4.433 -0.053 19817 198 1 . 1 1 131 131 ASP CA C 131 57.300 57.300 57.290 0.010 19817 199 1 . 1 1 131 131 ASP CB C 131 40.800 40.800 40.151 0.649 19817 200 1 . 1 1 131 131 ASP H H 131 7.830 7.830 8.531 -0.701 19817 201 1 . 1 1 132 132 ASP N N 132 119.880 119.880 120.628 -0.748 19817 202 1 . 1 1 132 132 ASP HA H 132 4.220 4.220 4.425 -0.205 19817 203 1 . 1 1 132 132 ASP CA C 132 58.200 58.200 57.121 1.079 19817 204 1 . 1 1 132 132 ASP CB C 132 42.100 42.100 40.947 1.153 19817 205 1 . 1 1 132 132 ASP H H 132 7.570 7.570 7.816 -0.246 19817 206 1 . 1 1 133 133 ILE N N 133 116.580 116.580 119.872 -3.292 19817 207 1 . 1 1 133 133 ILE HA H 133 3.340 3.340 3.671 -0.331 19817 208 1 . 1 1 133 133 ILE CA C 133 65.500 65.500 65.085 0.415 19817 209 1 . 1 1 133 133 ILE CB C 133 38.700 38.700 37.761 0.939 19817 210 1 . 1 1 133 133 ILE H H 133 7.180 7.180 7.579 -0.399 19817 211 1 . 1 1 134 134 GLU N N 134 117.740 117.740 120.446 -2.706 19817 212 1 . 1 1 134 134 GLU HA H 134 3.890 3.890 3.959 -0.069 19817 213 1 . 1 1 134 134 GLU CA C 134 59.600 59.600 59.933 -0.333 19817 214 1 . 1 1 134 134 GLU CB C 134 30.100 30.100 29.402 0.698 19817 215 1 . 1 1 134 134 GLU H H 134 8.150 8.150 8.526 -0.376 19817 216 1 . 1 1 135 135 GLU N N 135 116.300 116.300 119.692 -3.392 19817 217 1 . 1 1 135 135 GLU HA H 135 4.220 4.220 4.090 0.130 19817 218 1 . 1 1 135 135 GLU CA C 135 58.900 58.900 59.039 -0.139 19817 219 1 . 1 1 135 135 GLU CB C 135 29.300 29.300 29.294 0.006 19817 220 1 . 1 1 135 135 GLU H H 135 8.430 8.430 8.314 0.116 19817 221 1 . 1 1 136 136 LEU N N 136 120.700 120.700 121.343 -0.643 19817 222 1 . 1 1 136 136 LEU HA H 136 4.260 4.260 4.167 0.093 19817 223 1 . 1 1 136 136 LEU CA C 136 57.400 57.400 57.960 -0.560 19817 224 1 . 1 1 136 136 LEU CB C 136 41.700 41.700 41.984 -0.284 19817 225 1 . 1 1 136 136 LEU H H 136 8.100 8.100 7.826 0.274 19817 226 1 . 1 1 137 137 MET N N 137 117.930 117.930 117.541 0.389 19817 227 1 . 1 1 137 137 MET HA H 137 4.290 4.290 4.249 0.041 19817 228 1 . 1 1 137 137 MET CA C 137 57.700 57.700 59.088 -1.388 19817 229 1 . 1 1 137 137 MET CB C 137 30.600 30.600 32.359 -1.759 19817 230 1 . 1 1 137 137 MET H H 137 8.180 8.180 8.293 -0.113 19817 231 1 . 1 1 138 138 LYS N N 138 117.370 117.370 119.139 -1.769 19817 232 1 . 1 1 138 138 LYS HA H 138 4.070 4.070 4.018 0.052 19817 233 1 . 1 1 138 138 LYS CA C 138 59.000 59.000 59.390 -0.390 19817 234 1 . 1 1 138 138 LYS CB C 138 32.600 32.600 32.050 0.550 19817 235 1 . 1 1 138 138 LYS H H 138 8.060 8.060 8.409 -0.349 19817 236 1 . 1 1 139 139 ASP N N 139 117.330 117.330 117.900 -0.570 19817 237 1 . 1 1 139 139 ASP HA H 139 4.380 4.380 4.385 -0.005 19817 238 1 . 1 1 139 139 ASP CA C 139 56.700 56.700 56.543 0.158 19817 239 1 . 1 1 139 139 ASP CB C 139 43.200 43.200 40.849 2.351 19817 240 1 . 1 1 139 139 ASP H H 139 7.650 7.650 7.832 -0.182 19817 241 1 . 1 1 140 140 GLY N N 140 101.850 101.850 104.673 -2.823 19817 242 1 . 1 1 140 140 GLY CA C 140 46.200 46.200 44.442 1.758 19817 243 1 . 1 1 140 140 GLY H H 140 7.850 7.850 7.356 0.494 19817 244 1 . 1 1 141 141 ASP N N 141 120.420 120.420 122.825 -2.405 19817 245 1 . 1 1 141 141 ASP HA H 141 4.570 4.570 4.908 -0.338 19817 246 1 . 1 1 141 141 ASP CA C 141 53.200 53.200 53.740 -0.540 19817 247 1 . 1 1 141 141 ASP CB C 141 39.500 39.500 40.443 -0.943 19817 248 1 . 1 1 141 141 ASP H H 141 8.500 8.500 8.320 0.180 19817 249 1 . 1 1 142 142 LYS N N 142 125.890 125.890 124.568 1.322 19817 250 1 . 1 1 142 142 LYS HA H 142 4.150 4.150 4.092 0.058 19817 251 1 . 1 1 142 142 LYS CA C 142 57.900 57.900 58.262 -0.362 19817 252 1 . 1 1 142 142 LYS CB C 142 33.000 33.000 32.508 0.492 19817 253 1 . 1 1 142 142 LYS H H 142 7.740 7.740 8.300 -0.560 19817 254 1 . 1 1 143 143 ASN N N 143 113.610 113.610 116.746 -3.136 19817 255 1 . 1 1 143 143 ASN HA H 143 4.800 4.800 4.701 0.099 19817 256 1 . 1 1 143 143 ASN CA C 143 51.700 51.700 53.068 -1.368 19817 257 1 . 1 1 143 143 ASN CB C 143 37.200 37.200 38.945 -1.744 19817 258 1 . 1 1 143 143 ASN H H 143 8.120 8.120 8.160 -0.040 19817 259 1 . 1 1 144 144 ASN N N 144 115.900 115.900 116.840 -0.940 19817 260 1 . 1 1 144 144 ASN HA H 144 4.500 4.500 4.559 -0.059 19817 261 1 . 1 1 144 144 ASN CA C 144 55.100 55.100 54.111 0.989 19817 262 1 . 1 1 144 144 ASN CB C 144 37.800 37.800 37.732 0.068 19817 263 1 . 1 1 144 144 ASN H H 144 7.720 7.720 8.231 -0.511 19817 264 1 . 1 1 145 145 ASP N N 145 118.570 118.570 117.506 1.064 19817 265 1 . 1 1 145 145 ASP HA H 145 4.710 4.710 4.648 0.062 19817 266 1 . 1 1 145 145 ASP CA C 145 53.000 53.000 53.753 -0.753 19817 267 1 . 1 1 145 145 ASP CB C 145 41.000 41.000 40.845 0.155 19817 268 1 . 1 1 145 145 ASP H H 145 8.680 8.680 8.350 0.330 19817 269 1 . 1 1 146 146 GLY N N 146 112.940 112.940 108.392 4.548 19817 270 1 . 1 1 146 146 GLY CA C 146 45.700 45.700 45.403 0.297 19817 271 1 . 1 1 146 146 GLY H H 146 10.320 10.320 8.560 1.760 19817 272 1 . 1 1 147 147 ARG N N 147 115.440 115.440 118.512 -3.072 19817 273 1 . 1 1 147 147 ARG HA H 147 4.910 4.910 4.991 -0.081 19817 274 1 . 1 1 147 147 ARG CA C 147 54.000 54.000 54.318 -0.318 19817 275 1 . 1 1 147 147 ARG CB C 147 34.400 34.400 33.629 0.771 19817 276 1 . 1 1 147 147 ARG H H 147 7.690 7.690 8.277 -0.587 19817 277 1 . 1 1 148 148 ILE N N 148 126.090 126.090 122.930 3.160 19817 278 1 . 1 1 148 148 ILE HA H 148 5.050 5.050 4.862 0.188 19817 279 1 . 1 1 148 148 ILE CA C 148 60.600 60.600 59.532 1.068 19817 280 1 . 1 1 148 148 ILE CB C 148 40.000 40.000 38.152 1.848 19817 281 1 . 1 1 148 148 ILE H H 148 9.430 9.430 8.854 0.576 19817 282 1 . 1 1 149 149 ASP N N 149 129.170 129.170 128.870 0.300 19817 283 1 . 1 1 149 149 ASP HA H 149 5.160 5.160 4.948 0.212 19817 284 1 . 1 1 149 149 ASP CA C 149 52.500 52.500 53.471 -0.971 19817 285 1 . 1 1 149 149 ASP CB C 149 41.900 41.900 43.502 -1.602 19817 286 1 . 1 1 149 149 ASP H H 149 9.390 9.390 9.323 0.067 19817 287 1 . 1 1 150 150 TYR N N 150 118.600 118.600 122.821 -4.221 19817 288 1 . 1 1 150 150 TYR HA H 150 3.380 3.380 3.386 -0.006 19817 289 1 . 1 1 150 150 TYR CA C 150 62.200 62.200 62.150 0.050 19817 290 1 . 1 1 150 150 TYR CB C 150 38.200 38.200 38.234 -0.034 19817 291 1 . 1 1 150 150 TYR H H 150 8.420 8.420 8.609 -0.189 19817 292 1 . 1 1 151 151 ASP N N 151 118.060 118.060 117.934 0.126 19817 293 1 . 1 1 151 151 ASP HA H 151 4.080 4.080 4.208 -0.128 19817 294 1 . 1 1 151 151 ASP CA C 151 57.900 57.900 57.977 -0.077 19817 295 1 . 1 1 151 151 ASP CB C 151 40.600 40.600 40.410 0.190 19817 296 1 . 1 1 151 151 ASP H H 151 7.740 7.740 8.674 -0.934 19817 297 1 . 1 1 152 152 GLU N N 152 120.480 120.480 119.883 0.597 19817 298 1 . 1 1 152 152 GLU HA H 152 4.030 4.030 4.075 -0.045 19817 299 1 . 1 1 152 152 GLU CA C 152 58.700 58.700 58.998 -0.298 19817 300 1 . 1 1 152 152 GLU CB C 152 29.700 29.700 29.724 -0.024 19817 301 1 . 1 1 152 152 GLU H H 152 8.880 8.880 7.998 0.882 19817 302 1 . 1 1 153 153 PHE N N 153 124.990 124.990 121.344 3.646 19817 303 1 . 1 1 153 153 PHE HA H 153 4.000 4.000 4.410 -0.410 19817 304 1 . 1 1 153 153 PHE CA C 153 61.800 61.800 61.420 0.380 19817 305 1 . 1 1 153 153 PHE CB C 153 39.800 39.800 39.404 0.396 19817 306 1 . 1 1 153 153 PHE H H 153 9.280 9.280 8.590 0.690 19817 307 1 . 1 1 154 154 LEU N N 154 117.780 117.780 117.992 -0.212 19817 308 1 . 1 1 154 154 LEU HA H 154 3.650 3.650 3.726 -0.076 19817 309 1 . 1 1 154 154 LEU CA C 154 58.200 58.200 57.819 0.381 19817 310 1 . 1 1 154 154 LEU CB C 154 41.400 41.400 40.997 0.403 19817 311 1 . 1 1 154 154 LEU H H 154 7.880 7.880 8.288 -0.408 19817 312 1 . 1 1 155 155 GLU N N 155 116.556 116.556 119.163 -2.607 19817 313 1 . 1 1 155 155 GLU HA H 155 4.050 4.050 3.945 0.105 19817 314 1 . 1 1 155 155 GLU CA C 155 58.900 58.900 59.057 -0.157 19817 315 1 . 1 1 155 155 GLU CB C 155 29.500 29.500 28.860 0.640 19817 316 1 . 1 1 155 155 GLU H H 155 6.910 6.910 7.747 -0.837 19817 317 1 . 1 1 156 156 PHE N N 156 121.800 121.800 118.189 3.611 19817 318 1 . 1 1 156 156 PHE HA H 156 4.120 4.120 4.144 -0.024 19817 319 1 . 1 1 156 156 PHE CA C 156 58.600 58.600 61.139 -2.539 19817 320 1 . 1 1 156 156 PHE CB C 156 40.900 40.900 38.563 2.337 19817 321 1 . 1 1 156 156 PHE H H 156 8.610 8.610 7.543 1.067 19817 322 1 . 1 1 157 157 MET N N 157 111.800 111.800 115.860 -4.060 19817 323 1 . 1 1 157 157 MET HA H 157 4.360 4.360 4.309 0.051 19817 324 1 . 1 1 157 157 MET CA C 157 53.300 53.300 56.568 -3.268 19817 325 1 . 1 1 157 157 MET CB C 157 32.500 32.500 32.472 0.028 19817 326 1 . 1 1 157 157 MET H H 157 7.490 7.490 7.613 -0.123 19817 327 1 . 1 1 158 158 LYS N N 158 121.970 121.970 119.505 2.465 19817 328 1 . 1 1 158 158 LYS HA H 158 3.950 3.950 4.069 -0.119 19817 329 1 . 1 1 158 158 LYS CA C 158 59.300 59.300 58.498 0.802 19817 330 1 . 1 1 158 158 LYS CB C 158 32.400 32.400 32.245 0.155 19817 331 1 . 1 1 158 158 LYS H H 158 7.110 7.110 7.857 -0.747 19817 332 1 . 1 1 159 159 ASP N N 159 116.800 116.800 119.640 -2.840 19817 333 1 . 1 1 159 159 ASP HA H 159 4.440 4.440 4.624 -0.184 19817 334 1 . 1 1 159 159 ASP CA C 159 54.900 54.900 54.787 0.113 19817 335 1 . 1 1 159 159 ASP CB C 159 40.400 40.400 40.365 0.035 19817 336 1 . 1 1 159 159 ASP H H 159 8.470 8.470 7.982 0.488 19817 337 1 . 1 1 160 160 VAL N N 160 119.800 119.800 118.645 1.155 19817 338 1 . 1 1 160 160 VAL HA H 160 3.790 3.790 4.221 -0.431 19817 339 1 . 1 1 160 160 VAL CA C 160 63.300 63.300 61.922 1.378 19817 340 1 . 1 1 160 160 VAL CB C 160 32.100 32.100 33.328 -1.228 19817 341 1 . 1 1 160 160 VAL H H 160 7.270 7.270 7.786 -0.516 19817 stop_ save_