data_18818 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18818 _Entry.PDB_ID 2M0R 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 18818 _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 5 5 ARG N N 5 124.100 124.100 124.624 -0.524 18818 2 1 1 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.498 -0.448 18818 3 1 1 . 1 1 5 5 ARG C C 5 173.800 173.800 176.353 -2.553 18818 4 1 1 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.386 0.614 18818 5 1 1 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.882 -0.182 18818 6 1 1 . 1 1 5 5 ARG H H 5 8.570 8.570 8.493 0.077 18818 7 1 1 . 1 1 6 6 SER N N 6 117.500 117.500 116.306 1.194 18818 8 1 1 . 1 1 6 6 SER HA H 6 4.510 4.510 4.363 0.147 18818 9 1 1 . 1 1 6 6 SER C C 6 174.100 174.100 174.214 -0.114 18818 10 1 1 . 1 1 6 6 SER CA C 6 58.000 58.000 58.825 -0.825 18818 11 1 1 . 1 1 6 6 SER CB C 6 63.700 63.700 63.993 -0.293 18818 12 1 1 . 1 1 6 6 SER H H 6 8.370 8.370 7.846 0.524 18818 13 1 1 . 1 1 7 7 ALA N N 7 125.900 125.900 126.105 -0.205 18818 14 1 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.538 -0.138 18818 15 1 1 . 1 1 7 7 ALA C C 7 177.200 177.200 175.654 1.546 18818 16 1 1 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.620 0.980 18818 17 1 1 . 1 1 7 7 ALA CB C 7 19.000 19.000 20.885 -1.885 18818 18 1 1 . 1 1 7 7 ALA H H 7 8.410 8.410 8.350 0.060 18818 19 1 1 . 1 1 8 8 ASN N N 8 117.400 117.400 117.546 -0.146 18818 20 1 1 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.734 0.036 18818 21 1 1 . 1 1 8 8 ASN C C 8 174.900 174.900 174.978 -0.078 18818 22 1 1 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.094 -0.194 18818 23 1 1 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.645 -1.845 18818 24 1 1 . 1 1 8 8 ASN H H 8 8.360 8.360 8.417 -0.057 18818 25 1 1 . 1 1 9 9 ALA N N 9 124.400 124.400 122.806 1.594 18818 26 1 1 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.221 0.129 18818 27 1 1 . 1 1 9 9 ALA C C 9 177.800 177.800 176.941 0.859 18818 28 1 1 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.307 -0.607 18818 29 1 1 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.160 0.740 18818 30 1 1 . 1 1 9 9 ALA H H 9 8.270 8.270 8.630 -0.360 18818 31 1 1 . 1 1 10 10 GLU N N 10 119.300 119.300 118.077 1.223 18818 32 1 1 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.198 0.112 18818 33 1 1 . 1 1 10 10 GLU C C 10 176.400 176.400 176.453 -0.053 18818 34 1 1 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.613 -0.713 18818 35 1 1 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.632 -0.032 18818 36 1 1 . 1 1 10 10 GLU H H 10 8.470 8.470 8.601 -0.131 18818 37 1 1 . 1 1 11 11 ASP N N 11 120.600 120.600 118.405 2.195 18818 38 1 1 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.688 -0.078 18818 39 1 1 . 1 1 11 11 ASP C C 11 176.100 176.100 175.100 1.000 18818 40 1 1 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.779 0.521 18818 41 1 1 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.196 -0.396 18818 42 1 1 . 1 1 11 11 ASP H H 11 8.200 8.200 7.867 0.333 18818 43 1 1 . 1 1 12 12 ALA N N 12 123.800 123.800 121.888 1.912 18818 44 1 1 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.365 -0.275 18818 45 1 1 . 1 1 12 12 ALA C C 12 177.800 177.800 176.181 1.619 18818 46 1 1 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.992 -0.492 18818 47 1 1 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.886 -0.086 18818 48 1 1 . 1 1 12 12 ALA H H 12 8.070 8.070 8.030 0.040 18818 49 1 1 . 1 1 13 13 GLN N N 13 118.500 118.500 118.941 -0.441 18818 50 1 1 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.414 -0.144 18818 51 1 1 . 1 1 13 13 GLN C C 13 175.700 175.700 175.979 -0.279 18818 52 1 1 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.275 -0.375 18818 53 1 1 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.898 -0.798 18818 54 1 1 . 1 1 13 13 GLN H H 13 8.230 8.230 8.442 -0.212 18818 55 1 1 . 1 1 14 14 GLU N N 14 120.600 120.600 119.459 1.141 18818 56 1 1 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.179 0.121 18818 57 1 1 . 1 1 14 14 GLU C C 14 175.800 175.800 176.394 -0.594 18818 58 1 1 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.766 -0.966 18818 59 1 1 . 1 1 14 14 GLU CB C 14 29.900 29.900 28.890 1.010 18818 60 1 1 . 1 1 14 14 GLU H H 14 8.100 8.100 8.224 -0.124 18818 61 1 1 . 1 1 15 15 PHE N N 15 121.100 121.100 120.260 0.840 18818 62 1 1 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.622 0.258 18818 63 1 1 . 1 1 15 15 PHE C C 15 176.900 176.900 177.108 -0.208 18818 64 1 1 . 1 1 15 15 PHE CA C 15 55.300 55.300 57.784 -2.484 18818 65 1 1 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.763 -0.463 18818 66 1 1 . 1 1 15 15 PHE H H 15 8.030 8.030 7.370 0.660 18818 67 1 1 . 1 1 16 16 SER N N 16 119.400 119.400 117.341 2.059 18818 68 1 1 . 1 1 16 16 SER HA H 16 4.850 4.850 4.376 0.474 18818 69 1 1 . 1 1 16 16 SER C C 16 174.800 174.800 175.563 -0.763 18818 70 1 1 . 1 1 16 16 SER CA C 16 57.000 57.000 58.228 -1.228 18818 71 1 1 . 1 1 16 16 SER CB C 16 65.600 65.600 64.686 0.913 18818 72 1 1 . 1 1 16 16 SER H H 16 9.530 9.530 8.861 0.669 18818 73 1 1 . 1 1 17 17 ASP N N 17 121.300 121.300 121.533 -0.233 18818 74 1 1 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.576 -0.026 18818 75 1 1 . 1 1 17 17 ASP C C 17 179.700 179.700 177.083 2.617 18818 76 1 1 . 1 1 17 17 ASP CA C 17 58.000 58.000 56.990 1.010 18818 77 1 1 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.510 -1.010 18818 78 1 1 . 1 1 17 17 ASP H H 17 9.270 9.270 8.995 0.275 18818 79 1 1 . 1 1 18 18 VAL N N 18 120.600 120.600 119.274 1.326 18818 80 1 1 . 1 1 18 18 VAL HA H 18 3.680 3.680 4.034 -0.354 18818 81 1 1 . 1 1 18 18 VAL C C 18 176.900 176.900 176.686 0.214 18818 82 1 1 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.295 2.205 18818 83 1 1 . 1 1 18 18 VAL CB C 18 31.900 31.900 33.011 -1.111 18818 84 1 1 . 1 1 18 18 VAL H H 18 8.230 8.230 7.612 0.618 18818 85 1 1 . 1 1 19 19 GLU N N 19 121.000 121.000 120.098 0.902 18818 86 1 1 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.005 -0.265 18818 87 1 1 . 1 1 19 19 GLU C C 19 178.600 178.600 178.800 -0.200 18818 88 1 1 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.646 0.354 18818 89 1 1 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.760 -1.060 18818 90 1 1 . 1 1 19 19 GLU H H 19 8.180 8.180 7.789 0.391 18818 91 1 1 . 1 1 20 20 ARG N N 20 118.100 118.100 117.702 0.398 18818 92 1 1 . 1 1 20 20 ARG HA H 20 4.300 4.300 3.899 0.401 18818 93 1 1 . 1 1 20 20 ARG C C 20 178.700 178.700 178.073 0.627 18818 94 1 1 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.106 -0.006 18818 95 1 1 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.887 -0.187 18818 96 1 1 . 1 1 20 20 ARG H H 20 8.920 8.920 8.689 0.231 18818 97 1 1 . 1 1 21 21 ALA N N 21 123.800 123.800 122.295 1.505 18818 98 1 1 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.266 0.154 18818 99 1 1 . 1 1 21 21 ALA C C 21 179.300 179.300 179.604 -0.304 18818 100 1 1 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.290 0.910 18818 101 1 1 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.278 -0.378 18818 102 1 1 . 1 1 21 21 ALA H H 21 8.060 8.060 7.304 0.756 18818 103 1 1 . 1 1 22 22 ILE N N 22 118.200 118.200 119.658 -1.458 18818 104 1 1 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.663 0.057 18818 105 1 1 . 1 1 22 22 ILE C C 22 177.500 177.500 178.016 -0.516 18818 106 1 1 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.779 0.221 18818 107 1 1 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.633 -0.233 18818 108 1 1 . 1 1 22 22 ILE H H 22 8.010 8.010 7.834 0.176 18818 109 1 1 . 1 1 23 23 GLU N N 23 120.100 120.100 119.184 0.916 18818 110 1 1 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.980 -0.020 18818 111 1 1 . 1 1 23 23 GLU C C 23 178.000 178.000 179.073 -1.073 18818 112 1 1 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.986 0.313 18818 113 1 1 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.106 0.394 18818 114 1 1 . 1 1 23 23 GLU H H 23 8.450 8.450 7.919 0.531 18818 115 1 1 . 1 1 24 24 THR N N 24 117.300 117.300 115.578 1.722 18818 116 1 1 . 1 1 24 24 THR HA H 24 4.010 4.010 4.185 -0.175 18818 117 1 1 . 1 1 24 24 THR C C 24 177.000 177.000 176.334 0.666 18818 118 1 1 . 1 1 24 24 THR CA C 24 67.100 67.100 66.571 0.529 18818 119 1 1 . 1 1 24 24 THR CB C 24 68.200 68.200 68.787 -0.587 18818 120 1 1 . 1 1 24 24 THR H H 24 8.720 8.720 7.707 1.013 18818 121 1 1 . 1 1 25 25 LEU N N 25 123.400 123.400 121.438 1.962 18818 122 1 1 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.420 -0.140 18818 123 1 1 . 1 1 25 25 LEU C C 25 178.200 178.200 178.585 -0.385 18818 124 1 1 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.124 1.176 18818 125 1 1 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.843 -0.142 18818 126 1 1 . 1 1 25 25 LEU H H 25 8.150 8.150 8.030 0.120 18818 127 1 1 . 1 1 26 26 ILE N N 26 119.500 119.500 120.416 -0.916 18818 128 1 1 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.976 0.024 18818 129 1 1 . 1 1 26 26 ILE C C 26 177.900 177.900 177.886 0.014 18818 130 1 1 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.109 0.990 18818 131 1 1 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.808 -0.508 18818 132 1 1 . 1 1 26 26 ILE H H 26 8.510 8.510 8.372 0.138 18818 133 1 1 . 1 1 27 27 LYS N N 27 120.500 120.500 120.911 -0.411 18818 134 1 1 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.002 0.148 18818 135 1 1 . 1 1 27 27 LYS C C 27 179.600 179.600 178.814 0.786 18818 136 1 1 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.933 0.167 18818 137 1 1 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.627 0.373 18818 138 1 1 . 1 1 27 27 LYS H H 27 9.000 9.000 8.633 0.367 18818 139 1 1 . 1 1 28 28 ASN N N 28 117.300 117.300 117.229 0.071 18818 140 1 1 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.756 -0.196 18818 141 1 1 . 1 1 28 28 ASN C C 28 176.000 176.000 177.651 -1.651 18818 142 1 1 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.131 1.569 18818 143 1 1 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.691 1.609 18818 144 1 1 . 1 1 28 28 ASN H H 28 7.990 7.990 7.864 0.126 18818 145 1 1 . 1 1 29 29 PHE N N 29 119.100 119.100 122.197 -3.097 18818 146 1 1 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.629 0.281 18818 147 1 1 . 1 1 29 29 PHE C C 29 176.200 176.200 177.283 -1.083 18818 148 1 1 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.816 -0.616 18818 149 1 1 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.695 -0.095 18818 150 1 1 . 1 1 29 29 PHE H H 29 7.990 7.990 8.358 -0.368 18818 151 1 1 . 1 1 30 30 HIS N N 30 114.700 114.700 116.235 -1.535 18818 152 1 1 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.479 -0.159 18818 153 1 1 . 1 1 30 30 HIS C C 30 177.400 177.400 177.004 0.396 18818 154 1 1 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.980 -0.480 18818 155 1 1 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.473 0.127 18818 156 1 1 . 1 1 30 30 HIS H H 30 8.180 8.180 7.759 0.421 18818 157 1 1 . 1 1 31 31 GLN N N 31 118.500 118.500 118.331 0.169 18818 158 1 1 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.081 -0.001 18818 159 1 1 . 1 1 31 31 GLN C C 31 176.600 176.600 177.271 -0.671 18818 160 1 1 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.290 -0.490 18818 161 1 1 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.279 -0.879 18818 162 1 1 . 1 1 31 31 GLN H H 31 8.280 8.280 8.247 0.033 18818 163 1 1 . 1 1 32 32 TYR N N 32 115.700 115.700 117.073 -1.373 18818 164 1 1 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.479 -0.269 18818 165 1 1 . 1 1 32 32 TYR C C 32 174.800 174.800 176.832 -2.032 18818 166 1 1 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.500 1.200 18818 167 1 1 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.378 -0.678 18818 168 1 1 . 1 1 32 32 TYR H H 32 7.410 7.410 7.827 -0.417 18818 169 1 1 . 1 1 33 33 SER N N 33 114.000 114.000 117.581 -3.581 18818 170 1 1 . 1 1 33 33 SER HA H 33 4.530 4.530 4.244 0.286 18818 171 1 1 . 1 1 33 33 SER C C 33 175.000 175.000 175.007 -0.007 18818 172 1 1 . 1 1 33 33 SER CA C 33 57.200 57.200 58.794 -1.594 18818 173 1 1 . 1 1 33 33 SER CB C 33 63.200 63.200 60.773 2.427 18818 174 1 1 . 1 1 33 33 SER H H 33 7.260 7.260 8.107 -0.847 18818 175 1 1 . 1 1 34 34 VAL N N 34 126.600 126.600 118.555 8.045 18818 176 1 1 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.837 0.173 18818 177 1 1 . 1 1 34 34 VAL C C 34 177.800 177.800 177.109 0.691 18818 178 1 1 . 1 1 34 34 VAL CA C 34 64.400 64.400 65.345 -0.945 18818 179 1 1 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.539 0.561 18818 180 1 1 . 1 1 34 34 VAL H H 34 8.490 8.490 7.864 0.626 18818 181 1 1 . 1 1 35 35 GLU N N 35 122.100 122.100 119.164 2.936 18818 182 1 1 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.216 0.034 18818 183 1 1 . 1 1 35 35 GLU C C 35 177.800 177.800 178.167 -0.367 18818 184 1 1 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.344 0.156 18818 185 1 1 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.104 -0.304 18818 186 1 1 . 1 1 35 35 GLU H H 35 8.980 8.980 8.718 0.262 18818 187 1 1 . 1 1 36 36 GLY N N 36 108.500 108.500 106.467 2.033 18818 188 1 1 . 1 1 36 36 GLY C C 36 175.000 175.000 175.218 -0.218 18818 189 1 1 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.194 0.106 18818 190 1 1 . 1 1 36 36 GLY H H 36 8.490 8.490 8.001 0.489 18818 191 1 1 . 1 1 37 37 GLY N N 37 108.700 108.700 106.854 1.846 18818 192 1 1 . 1 1 37 37 GLY C C 37 174.100 174.100 174.601 -0.501 18818 193 1 1 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.530 0.270 18818 194 1 1 . 1 1 37 37 GLY H H 37 8.140 8.140 7.717 0.423 18818 195 1 1 . 1 1 38 38 LYS N N 38 118.000 118.000 112.472 5.528 18818 196 1 1 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.685 0.785 18818 197 1 1 . 1 1 38 38 LYS C C 38 176.000 176.000 175.912 0.088 18818 198 1 1 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.500 -2.400 18818 199 1 1 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.704 1.996 18818 200 1 1 . 1 1 38 38 LYS H H 38 8.050 8.050 8.073 -0.023 18818 201 1 1 . 1 1 39 39 GLU N N 39 118.100 118.100 115.168 2.932 18818 202 1 1 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.737 -0.177 18818 203 1 1 . 1 1 39 39 GLU C C 39 175.600 175.600 175.648 -0.048 18818 204 1 1 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.591 0.209 18818 205 1 1 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.932 -2.732 18818 206 1 1 . 1 1 39 39 GLU H H 39 8.630 8.630 7.747 0.883 18818 207 1 1 . 1 1 40 40 THR N N 40 108.100 108.100 109.760 -1.660 18818 208 1 1 . 1 1 40 40 THR HA H 40 5.160 5.160 4.903 0.257 18818 209 1 1 . 1 1 40 40 THR C C 40 173.400 173.400 172.922 0.478 18818 210 1 1 . 1 1 40 40 THR CA C 40 59.300 59.300 60.025 -0.725 18818 211 1 1 . 1 1 40 40 THR CB C 40 72.100 72.100 71.038 1.062 18818 212 1 1 . 1 1 40 40 THR H H 40 7.490 7.490 8.205 -0.715 18818 213 1 1 . 1 1 41 41 LEU N N 41 120.700 120.700 120.095 0.605 18818 214 1 1 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.762 0.278 18818 215 1 1 . 1 1 41 41 LEU C C 41 177.000 177.000 175.525 1.475 18818 216 1 1 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.717 -0.417 18818 217 1 1 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.590 -1.290 18818 218 1 1 . 1 1 41 41 LEU H H 41 8.660 8.660 8.537 0.123 18818 219 1 1 . 1 1 42 42 THR N N 42 113.500 113.500 110.884 2.616 18818 220 1 1 . 1 1 42 42 THR HA H 42 5.000 5.000 4.914 0.086 18818 221 1 1 . 1 1 42 42 THR C C 42 174.100 174.100 173.278 0.822 18818 222 1 1 . 1 1 42 42 THR CA C 42 59.800 59.800 58.805 0.995 18818 223 1 1 . 1 1 42 42 THR CB C 42 68.100 68.100 70.194 -2.094 18818 224 1 1 . 1 1 42 42 THR H H 42 9.130 9.130 7.957 1.173 18818 225 1 1 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.354 -0.204 18818 226 1 1 . 1 1 43 43 PRO C C 43 178.600 178.600 178.773 -0.173 18818 227 1 1 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.304 0.896 18818 228 1 1 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.771 -0.071 18818 229 1 1 . 1 1 44 44 SER N N 44 111.600 111.600 113.937 -2.337 18818 230 1 1 . 1 1 44 44 SER HA H 44 4.170 4.170 4.259 -0.089 18818 231 1 1 . 1 1 44 44 SER C C 44 176.200 176.200 176.322 -0.122 18818 232 1 1 . 1 1 44 44 SER CA C 44 61.500 61.500 61.922 -0.422 18818 233 1 1 . 1 1 44 44 SER CB C 44 62.200 62.200 62.960 -0.760 18818 234 1 1 . 1 1 44 44 SER H H 44 8.090 8.090 8.625 -0.535 18818 235 1 1 . 1 1 45 45 GLU N N 45 123.900 123.900 122.073 1.827 18818 236 1 1 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.176 0.085 18818 237 1 1 . 1 1 45 45 GLU C C 45 179.000 179.000 178.540 0.460 18818 238 1 1 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.708 0.392 18818 239 1 1 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.360 0.340 18818 240 1 1 . 1 1 45 45 GLU H H 45 7.700 7.700 7.937 -0.237 18818 241 1 1 . 1 1 46 46 LEU N N 46 118.900 118.900 122.656 -3.756 18818 242 1 1 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.041 0.039 18818 243 1 1 . 1 1 46 46 LEU C C 46 177.600 177.600 178.898 -1.298 18818 244 1 1 . 1 1 46 46 LEU CA C 46 57.300 57.300 57.678 -0.379 18818 245 1 1 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.234 -0.334 18818 246 1 1 . 1 1 46 46 LEU H H 46 8.400 8.400 8.373 0.027 18818 247 1 1 . 1 1 47 47 ARG N N 47 119.300 119.300 118.984 0.316 18818 248 1 1 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.849 -0.079 18818 249 1 1 . 1 1 47 47 ARG C C 47 178.900 178.900 178.365 0.535 18818 250 1 1 . 1 1 47 47 ARG CA C 47 60.000 60.000 60.174 -0.174 18818 251 1 1 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.872 -0.872 18818 252 1 1 . 1 1 47 47 ARG H H 47 8.260 8.260 8.261 -0.001 18818 253 1 1 . 1 1 48 48 ASP N N 48 122.300 122.300 119.674 2.626 18818 254 1 1 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.438 -0.008 18818 255 1 1 . 1 1 48 48 ASP C C 48 176.700 176.700 178.510 -1.810 18818 256 1 1 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.768 -0.268 18818 257 1 1 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.041 -1.641 18818 258 1 1 . 1 1 48 48 ASP H H 48 8.160 8.160 8.275 -0.115 18818 259 1 1 . 1 1 49 49 LEU N N 49 122.600 122.600 118.356 4.244 18818 260 1 1 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.981 -0.811 18818 261 1 1 . 1 1 49 49 LEU C C 49 179.100 179.100 178.416 0.684 18818 262 1 1 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.422 1.578 18818 263 1 1 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.070 0.230 18818 264 1 1 . 1 1 49 49 LEU H H 49 7.980 7.980 7.828 0.152 18818 265 1 1 . 1 1 50 50 VAL N N 50 118.200 118.200 120.783 -2.583 18818 266 1 1 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.632 -0.082 18818 267 1 1 . 1 1 50 50 VAL C C 50 178.800 178.800 178.475 0.325 18818 268 1 1 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.937 -0.537 18818 269 1 1 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.154 0.346 18818 270 1 1 . 1 1 50 50 VAL H H 50 8.390 8.390 7.961 0.429 18818 271 1 1 . 1 1 51 51 THR N N 51 115.000 115.000 115.825 -0.825 18818 272 1 1 . 1 1 51 51 THR HA H 51 3.990 3.990 4.027 -0.037 18818 273 1 1 . 1 1 51 51 THR C C 51 176.000 176.000 176.346 -0.346 18818 274 1 1 . 1 1 51 51 THR CA C 51 65.800 65.800 66.096 -0.296 18818 275 1 1 . 1 1 51 51 THR CB C 51 68.900 68.900 68.757 0.143 18818 276 1 1 . 1 1 51 51 THR H H 51 8.480 8.480 8.027 0.453 18818 277 1 1 . 1 1 52 52 GLN N N 52 116.400 116.400 119.213 -2.813 18818 278 1 1 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.250 -0.000 18818 279 1 1 . 1 1 52 52 GLN C C 52 178.300 178.300 178.166 0.134 18818 280 1 1 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.256 -0.456 18818 281 1 1 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.028 -0.528 18818 282 1 1 . 1 1 52 52 GLN H H 52 8.180 8.180 7.826 0.354 18818 283 1 1 . 1 1 53 53 GLN N N 53 112.100 112.100 116.247 -4.147 18818 284 1 1 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.534 0.316 18818 285 1 1 . 1 1 53 53 GLN C C 53 176.900 176.900 175.961 0.939 18818 286 1 1 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.510 -0.510 18818 287 1 1 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.453 -2.053 18818 288 1 1 . 1 1 53 53 GLN H H 53 8.490 8.490 7.912 0.578 18818 289 1 1 . 1 1 54 54 LEU N N 54 119.800 119.800 120.717 -0.917 18818 290 1 1 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.818 0.432 18818 291 1 1 . 1 1 54 54 LEU C C 54 176.900 176.900 175.175 1.725 18818 292 1 1 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.451 1.449 18818 293 1 1 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.593 0.507 18818 294 1 1 . 1 1 54 54 LEU H H 54 7.920 7.920 7.501 0.419 18818 295 1 1 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.295 0.175 18818 296 1 1 . 1 1 55 55 PRO C C 55 178.300 178.300 177.573 0.727 18818 297 1 1 . 1 1 55 55 PRO CA C 55 65.300 65.300 65.008 0.292 18818 298 1 1 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.799 -1.099 18818 299 1 1 . 1 1 56 56 HIS N N 56 116.500 116.500 117.509 -1.009 18818 300 1 1 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.538 0.052 18818 301 1 1 . 1 1 56 56 HIS C C 56 176.300 176.300 176.440 -0.140 18818 302 1 1 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.486 0.314 18818 303 1 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.437 -1.137 18818 304 1 1 . 1 1 56 56 HIS H H 56 9.770 9.770 8.314 1.456 18818 305 1 1 . 1 1 57 57 LEU N N 57 116.600 116.600 119.158 -2.558 18818 306 1 1 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.330 -0.000 18818 307 1 1 . 1 1 57 57 LEU C C 57 176.400 176.400 176.056 0.344 18818 308 1 1 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.827 -0.427 18818 309 1 1 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.347 0.153 18818 310 1 1 . 1 1 57 57 LEU H H 57 7.830 7.830 8.056 -0.226 18818 311 1 1 . 1 1 58 58 MET N N 58 118.000 118.000 117.158 0.842 18818 312 1 1 . 1 1 58 58 MET HA H 58 4.540 4.540 4.804 -0.264 18818 313 1 1 . 1 1 58 58 MET C C 58 171.600 171.600 173.031 -1.431 18818 314 1 1 . 1 1 58 58 MET CA C 58 53.500 53.500 51.784 1.716 18818 315 1 1 . 1 1 58 58 MET CB C 58 32.700 32.700 33.768 -1.068 18818 316 1 1 . 1 1 58 58 MET H H 58 7.970 7.970 7.761 0.209 18818 317 1 1 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.733 -0.283 18818 318 1 1 . 1 1 59 59 PRO C C 59 177.400 177.400 177.881 -0.481 18818 319 1 1 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.519 0.581 18818 320 1 1 . 1 1 59 59 PRO CB C 59 31.900 31.900 33.015 -1.115 18818 321 1 1 . 1 1 60 60 SER N N 60 114.900 114.900 118.337 -3.437 18818 322 1 1 . 1 1 60 60 SER HA H 60 4.340 4.340 4.034 0.306 18818 323 1 1 . 1 1 60 60 SER C C 60 174.700 174.700 176.189 -1.489 18818 324 1 1 . 1 1 60 60 SER CA C 60 59.100 59.100 61.997 -2.897 18818 325 1 1 . 1 1 60 60 SER CB C 60 63.200 63.200 62.987 0.213 18818 326 1 1 . 1 1 60 60 SER H H 60 8.360 8.360 8.869 -0.509 18818 327 1 1 . 1 1 61 61 ASN N N 61 120.800 120.800 117.447 3.353 18818 328 1 1 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.610 0.200 18818 329 1 1 . 1 1 61 61 ASN C C 61 175.500 175.500 175.836 -0.336 18818 330 1 1 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.732 -1.732 18818 331 1 1 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.143 -0.243 18818 332 1 1 . 1 1 61 61 ASN H H 61 7.990 7.990 8.155 -0.165 18818 333 1 1 . 1 1 62 62 CYS N N 62 117.800 117.800 118.020 -0.220 18818 334 1 1 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.563 0.027 18818 335 1 1 . 1 1 62 62 CYS C C 62 175.300 175.300 174.971 0.329 18818 336 1 1 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.249 -0.049 18818 337 1 1 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.064 -0.664 18818 338 1 1 . 1 1 62 62 CYS H H 62 8.260 8.260 7.791 0.469 18818 339 1 1 . 1 1 63 63 GLY N N 63 111.300 111.300 110.106 1.194 18818 340 1 1 . 1 1 63 63 GLY C C 63 175.600 175.600 175.257 0.343 18818 341 1 1 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.592 1.708 18818 342 1 1 . 1 1 63 63 GLY H H 63 8.520 8.520 7.694 0.826 18818 343 1 1 . 1 1 64 64 LEU N N 64 122.400 122.400 125.340 -2.940 18818 344 1 1 . 1 1 64 64 LEU HA H 64 4.050 4.050 3.869 0.181 18818 345 1 1 . 1 1 64 64 LEU C C 64 177.900 177.900 178.246 -0.346 18818 346 1 1 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.330 0.270 18818 347 1 1 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.535 0.465 18818 348 1 1 . 1 1 64 64 LEU H H 64 7.910 7.910 8.630 -0.720 18818 349 1 1 . 1 1 65 65 GLU N N 65 117.900 117.900 118.096 -0.196 18818 350 1 1 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.867 0.043 18818 351 1 1 . 1 1 65 65 GLU C C 65 179.100 179.100 177.984 1.116 18818 352 1 1 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.607 1.393 18818 353 1 1 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.317 0.083 18818 354 1 1 . 1 1 65 65 GLU H H 65 8.660 8.660 8.637 0.023 18818 355 1 1 . 1 1 66 66 GLU N N 66 120.000 120.000 119.818 0.182 18818 356 1 1 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.071 0.049 18818 357 1 1 . 1 1 66 66 GLU C C 66 178.200 178.200 178.872 -0.672 18818 358 1 1 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.881 0.219 18818 359 1 1 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.115 -0.015 18818 360 1 1 . 1 1 66 66 GLU H H 66 8.220 8.220 7.956 0.264 18818 361 1 1 . 1 1 67 67 LYS N N 67 119.300 119.300 117.445 1.855 18818 362 1 1 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.270 -0.130 18818 363 1 1 . 1 1 67 67 LYS C C 67 179.400 179.400 178.221 1.179 18818 364 1 1 . 1 1 67 67 LYS CA C 67 58.900 58.900 56.343 2.557 18818 365 1 1 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.353 -0.253 18818 366 1 1 . 1 1 67 67 LYS H H 67 7.780 7.780 7.979 -0.199 18818 367 1 1 . 1 1 68 68 ILE N N 68 118.400 118.400 120.750 -2.350 18818 368 1 1 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.817 -0.097 18818 369 1 1 . 1 1 68 68 ILE C C 68 177.800 177.800 177.185 0.615 18818 370 1 1 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.866 0.634 18818 371 1 1 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.870 -0.570 18818 372 1 1 . 1 1 68 68 ILE H H 68 8.230 8.230 7.223 1.007 18818 373 1 1 . 1 1 69 69 ALA N N 69 122.900 122.900 122.009 0.891 18818 374 1 1 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.948 0.272 18818 375 1 1 . 1 1 69 69 ALA C C 69 179.600 179.600 178.770 0.830 18818 376 1 1 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.060 -0.660 18818 377 1 1 . 1 1 69 69 ALA CB C 69 17.900 17.900 17.944 -0.044 18818 378 1 1 . 1 1 69 69 ALA H H 69 8.070 8.070 8.244 -0.174 18818 379 1 1 . 1 1 70 70 ASN N N 70 115.400 115.400 116.009 -0.609 18818 380 1 1 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.531 0.339 18818 381 1 1 . 1 1 70 70 ASN C C 70 176.500 176.500 177.793 -1.293 18818 382 1 1 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.753 -1.453 18818 383 1 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.971 -0.272 18818 384 1 1 . 1 1 70 70 ASN H H 70 7.880 7.880 7.758 0.122 18818 385 1 1 . 1 1 71 71 LEU N N 71 120.600 120.600 117.167 3.433 18818 386 1 1 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.583 -0.253 18818 387 1 1 . 1 1 71 71 LEU C C 71 178.300 178.300 178.257 0.043 18818 388 1 1 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.995 0.305 18818 389 1 1 . 1 1 71 71 LEU CB C 71 42.300 42.300 40.828 1.472 18818 390 1 1 . 1 1 71 71 LEU H H 71 7.820 7.820 7.518 0.302 18818 391 1 1 . 1 1 72 72 GLY N N 72 106.800 106.800 108.524 -1.724 18818 392 1 1 . 1 1 72 72 GLY C C 72 174.400 174.400 175.303 -0.903 18818 393 1 1 . 1 1 72 72 GLY CA C 72 45.700 45.700 46.436 -0.736 18818 394 1 1 . 1 1 72 72 GLY H H 72 8.240 8.240 8.398 -0.158 18818 395 1 1 . 1 1 73 73 SER N N 73 115.600 115.600 115.589 0.011 18818 396 1 1 . 1 1 73 73 SER HA H 73 4.570 4.570 4.256 0.314 18818 397 1 1 . 1 1 73 73 SER C C 73 175.000 175.000 174.908 0.092 18818 398 1 1 . 1 1 73 73 SER CA C 73 58.900 58.900 59.187 -0.287 18818 399 1 1 . 1 1 73 73 SER CB C 73 63.600 63.600 63.660 -0.061 18818 400 1 1 . 1 1 73 73 SER H H 73 8.220 8.220 7.996 0.224 18818 401 1 1 . 1 1 74 74 CYS N N 74 119.300 119.300 122.169 -2.869 18818 402 1 1 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.481 0.169 18818 403 1 1 . 1 1 74 74 CYS C C 74 174.500 174.500 173.841 0.659 18818 404 1 1 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.809 -1.109 18818 405 1 1 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.881 -1.181 18818 406 1 1 . 1 1 74 74 CYS H H 74 8.260 8.260 7.657 0.603 18818 407 1 1 . 1 1 75 75 ASN N N 75 120.000 120.000 123.166 -3.166 18818 408 1 1 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.880 -0.040 18818 409 1 1 . 1 1 75 75 ASN C C 75 174.700 174.700 176.585 -1.885 18818 410 1 1 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.063 -0.263 18818 411 1 1 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.113 -1.213 18818 412 1 1 . 1 1 75 75 ASN H H 75 8.430 8.430 8.838 -0.408 18818 413 1 1 . 1 1 76 76 ASP N N 76 119.200 119.200 122.394 -3.194 18818 414 1 1 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.480 0.190 18818 415 1 1 . 1 1 76 76 ASP C C 76 175.500 175.500 177.221 -1.721 18818 416 1 1 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.637 -2.237 18818 417 1 1 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.448 0.152 18818 418 1 1 . 1 1 76 76 ASP H H 76 8.300 8.300 8.744 -0.444 18818 419 1 1 . 1 1 77 77 SER N N 77 112.800 112.800 114.612 -1.812 18818 420 1 1 . 1 1 77 77 SER HA H 77 4.260 4.260 4.381 -0.121 18818 421 1 1 . 1 1 77 77 SER C C 77 173.300 173.300 173.783 -0.483 18818 422 1 1 . 1 1 77 77 SER CA C 77 59.000 59.000 59.155 -0.155 18818 423 1 1 . 1 1 77 77 SER CB C 77 63.100 63.100 63.686 -0.586 18818 424 1 1 . 1 1 77 77 SER H H 77 8.220 8.220 8.301 -0.081 18818 425 1 1 . 1 1 78 78 LYS N N 78 120.600 120.600 117.910 2.690 18818 426 1 1 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.944 0.616 18818 427 1 1 . 1 1 78 78 LYS C C 78 175.300 175.300 175.906 -0.606 18818 428 1 1 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.079 -1.479 18818 429 1 1 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.179 1.121 18818 430 1 1 . 1 1 78 78 LYS H H 78 7.930 7.930 7.540 0.390 18818 431 1 1 . 1 1 79 79 LEU N N 79 123.700 123.700 120.463 3.237 18818 432 1 1 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.301 0.479 18818 433 1 1 . 1 1 79 79 LEU C C 79 176.100 176.100 177.389 -1.289 18818 434 1 1 . 1 1 79 79 LEU CA C 79 54.200 54.200 56.235 -2.035 18818 435 1 1 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.545 -0.545 18818 436 1 1 . 1 1 79 79 LEU H H 79 9.020 9.020 8.338 0.682 18818 437 1 1 . 1 1 80 80 GLU N N 80 121.200 121.200 117.713 3.487 18818 438 1 1 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.862 0.038 18818 439 1 1 . 1 1 80 80 GLU C C 80 177.100 177.100 177.117 -0.017 18818 440 1 1 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.780 0.420 18818 441 1 1 . 1 1 80 80 GLU CB C 80 31.600 31.600 33.322 -1.722 18818 442 1 1 . 1 1 80 80 GLU H H 80 8.630 8.630 8.375 0.255 18818 443 1 1 . 1 1 81 81 PHE N N 81 123.500 123.500 123.993 -0.493 18818 444 1 1 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.988 0.542 18818 445 1 1 . 1 1 81 81 PHE C C 81 177.000 177.000 176.183 0.817 18818 446 1 1 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.192 0.108 18818 447 1 1 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.119 -0.619 18818 448 1 1 . 1 1 81 81 PHE H H 81 9.360 9.360 8.614 0.746 18818 449 1 1 . 1 1 82 82 ARG N N 82 116.500 116.500 119.149 -2.649 18818 450 1 1 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.016 0.024 18818 451 1 1 . 1 1 82 82 ARG C C 82 178.000 178.000 178.072 -0.072 18818 452 1 1 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.312 -0.112 18818 453 1 1 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.336 -0.136 18818 454 1 1 . 1 1 82 82 ARG H H 82 8.940 8.940 8.737 0.203 18818 455 1 1 . 1 1 83 83 SER N N 83 115.700 115.700 114.414 1.286 18818 456 1 1 . 1 1 83 83 SER HA H 83 4.510 4.510 4.321 0.189 18818 457 1 1 . 1 1 83 83 SER C C 83 175.800 175.800 176.501 -0.701 18818 458 1 1 . 1 1 83 83 SER CA C 83 61.700 61.700 61.340 0.360 18818 459 1 1 . 1 1 83 83 SER CB C 83 62.700 62.700 62.280 0.420 18818 460 1 1 . 1 1 83 83 SER H H 83 7.610 7.610 7.865 -0.255 18818 461 1 1 . 1 1 84 84 PHE N N 84 122.200 122.200 124.133 -1.933 18818 462 1 1 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.283 -0.063 18818 463 1 1 . 1 1 84 84 PHE C C 84 175.000 175.000 176.514 -1.514 18818 464 1 1 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.119 -1.119 18818 465 1 1 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.551 -0.351 18818 466 1 1 . 1 1 84 84 PHE H H 84 7.490 7.490 7.411 0.079 18818 467 1 1 . 1 1 85 85 TRP N N 85 120.700 120.700 120.385 0.315 18818 468 1 1 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.152 -0.392 18818 469 1 1 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.464 -0.664 18818 470 1 1 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.594 -0.394 18818 471 1 1 . 1 1 85 85 TRP H H 85 8.770 8.770 7.989 0.781 18818 472 1 1 . 1 1 86 86 GLU N N 86 119.100 119.100 117.244 1.856 18818 473 1 1 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.925 0.155 18818 474 1 1 . 1 1 86 86 GLU C C 86 179.100 179.100 178.853 0.247 18818 475 1 1 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.258 0.042 18818 476 1 1 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.100 0.400 18818 477 1 1 . 1 1 86 86 GLU H H 86 8.150 8.150 8.357 -0.207 18818 478 1 1 . 1 1 87 87 LEU N N 87 120.800 120.800 119.904 0.896 18818 479 1 1 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.017 0.033 18818 480 1 1 . 1 1 87 87 LEU C C 87 178.900 178.900 178.540 0.360 18818 481 1 1 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.282 0.618 18818 482 1 1 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.191 -0.891 18818 483 1 1 . 1 1 87 87 LEU H H 87 7.600 7.600 7.385 0.215 18818 484 1 1 . 1 1 88 88 ILE N N 88 115.200 115.200 118.732 -3.532 18818 485 1 1 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.380 0.200 18818 486 1 1 . 1 1 88 88 ILE C C 88 177.300 177.300 177.497 -0.197 18818 487 1 1 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.953 -1.953 18818 488 1 1 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.712 -1.112 18818 489 1 1 . 1 1 88 88 ILE H H 88 7.960 7.960 7.131 0.829 18818 490 1 1 . 1 1 89 89 GLY N N 89 108.100 108.100 107.004 1.096 18818 491 1 1 . 1 1 89 89 GLY C C 89 175.700 175.700 175.531 0.169 18818 492 1 1 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.980 -1.581 18818 493 1 1 . 1 1 89 89 GLY H H 89 7.620 7.620 7.597 0.023 18818 494 1 1 . 1 1 90 90 GLU N N 90 120.000 120.000 121.234 -1.234 18818 495 1 1 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.104 -0.144 18818 496 1 1 . 1 1 90 90 GLU C C 90 179.100 179.100 178.307 0.793 18818 497 1 1 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.812 0.388 18818 498 1 1 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.452 -0.652 18818 499 1 1 . 1 1 90 90 GLU H H 90 7.410 7.410 7.554 -0.144 18818 500 1 1 . 1 1 91 91 ALA N N 91 122.400 122.400 122.886 -0.486 18818 501 1 1 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.888 0.132 18818 502 1 1 . 1 1 91 91 ALA C C 91 178.700 178.700 179.216 -0.516 18818 503 1 1 . 1 1 91 91 ALA CA C 91 54.000 54.000 55.050 -1.050 18818 504 1 1 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.256 -0.256 18818 505 1 1 . 1 1 91 91 ALA H H 91 7.610 7.610 7.454 0.156 18818 506 1 1 . 1 1 92 92 ALA N N 92 118.000 118.000 119.335 -1.335 18818 507 1 1 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.333 -0.663 18818 508 1 1 . 1 1 92 92 ALA C C 92 177.900 177.900 178.915 -1.015 18818 509 1 1 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.859 0.041 18818 510 1 1 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.611 -0.711 18818 511 1 1 . 1 1 92 92 ALA H H 92 7.740 7.740 8.007 -0.267 18818 512 1 1 . 1 1 93 93 LYS N N 93 114.600 114.600 115.661 -1.061 18818 513 1 1 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.072 -0.302 18818 514 1 1 . 1 1 93 93 LYS C C 93 177.000 177.000 177.704 -0.704 18818 515 1 1 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.753 -1.253 18818 516 1 1 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.465 -0.666 18818 517 1 1 . 1 1 93 93 LYS H H 93 7.200 7.200 7.641 -0.441 18818 518 1 1 . 1 1 94 94 SER N N 94 113.000 113.000 113.913 -0.913 18818 519 1 1 . 1 1 94 94 SER HA H 94 4.450 4.450 4.414 0.036 18818 520 1 1 . 1 1 94 94 SER C C 94 174.500 174.500 174.618 -0.118 18818 521 1 1 . 1 1 94 94 SER CA C 94 58.800 58.800 59.702 -0.902 18818 522 1 1 . 1 1 94 94 SER CB C 94 63.900 63.900 64.590 -0.690 18818 523 1 1 . 1 1 94 94 SER H H 94 7.530 7.530 7.566 -0.036 18818 524 1 1 . 1 1 95 95 VAL N N 95 122.100 122.100 121.444 0.656 18818 525 1 1 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.220 -0.280 18818 526 1 1 . 1 1 95 95 VAL C C 95 175.400 175.400 174.048 1.352 18818 527 1 1 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.419 1.781 18818 528 1 1 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.393 -1.893 18818 529 1 1 . 1 1 95 95 VAL H H 95 7.440 7.440 8.028 -0.588 18818 530 1 1 . 1 1 96 96 LYS N N 96 126.300 126.300 125.926 0.374 18818 531 1 1 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.630 -0.230 18818 532 1 1 . 1 1 96 96 LYS C C 96 176.000 176.000 174.771 1.229 18818 533 1 1 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.859 0.641 18818 534 1 1 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.191 -2.691 18818 535 1 1 . 1 1 96 96 LYS H H 96 8.470 8.470 8.343 0.127 18818 536 1 1 . 1 1 97 97 LEU N N 97 123.400 123.400 123.619 -0.219 18818 537 1 1 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.449 -0.039 18818 538 1 1 . 1 1 97 97 LEU C C 97 176.700 176.700 177.308 -0.608 18818 539 1 1 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.042 -0.642 18818 540 1 1 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.606 -0.306 18818 541 1 1 . 1 1 97 97 LEU H H 97 8.140 8.140 8.358 -0.218 18818 542 1 1 . 1 1 98 98 GLU N N 98 121.400 121.400 125.539 -4.139 18818 543 1 1 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.350 -0.010 18818 544 1 1 . 1 1 98 98 GLU C C 98 175.900 175.900 175.729 0.171 18818 545 1 1 . 1 1 98 98 GLU CA C 98 56.200 56.200 55.973 0.227 18818 546 1 1 . 1 1 98 98 GLU CB C 98 30.100 30.100 27.856 2.244 18818 547 1 1 . 1 1 98 98 GLU H H 98 8.320 8.320 8.602 -0.282 18818 548 1 1 . 1 1 99 99 ARG N N 99 122.800 122.800 121.112 1.688 18818 549 1 1 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.750 0.060 18818 550 1 1 . 1 1 99 99 ARG C C 99 173.900 173.900 173.501 0.399 18818 551 1 1 . 1 1 99 99 ARG CA C 99 53.600 53.600 52.925 0.675 18818 552 1 1 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.531 -0.631 18818 553 1 1 . 1 1 99 99 ARG H H 99 8.280 8.280 7.819 0.461 18818 554 1 1 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.455 0.065 18818 555 1 1 . 1 1 100 100 PRO C C 100 176.700 176.700 176.677 0.023 18818 556 1 1 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.966 -0.166 18818 557 1 1 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.135 -0.435 18818 558 1 1 . 1 1 101 101 VAL N N 101 120.500 120.500 116.630 3.870 18818 559 1 1 . 1 1 101 101 VAL HA H 101 4.130 4.130 3.734 0.396 18818 560 1 1 . 1 1 101 101 VAL C C 101 176.000 176.000 176.556 -0.556 18818 561 1 1 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.907 -0.807 18818 562 1 1 . 1 1 101 101 VAL CB C 101 32.200 32.200 30.385 1.815 18818 563 1 1 . 1 1 101 101 VAL H H 101 8.230 8.230 8.454 -0.224 18818 564 1 1 . 1 1 102 102 ARG N N 102 124.600 124.600 120.628 3.972 18818 565 1 1 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.210 0.210 18818 566 1 1 . 1 1 102 102 ARG C C 102 176.400 176.400 177.371 -0.971 18818 567 1 1 . 1 1 102 102 ARG CA C 102 55.900 55.900 57.002 -1.102 18818 568 1 1 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.753 -0.053 18818 569 1 1 . 1 1 102 102 ARG H H 102 8.390 8.390 8.689 -0.299 18818 570 1 1 . 1 1 103 103 GLY N N 103 110.400 110.400 104.406 5.994 18818 571 1 1 . 1 1 103 103 GLY C C 103 172.900 172.900 172.454 0.446 18818 572 1 1 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.688 0.312 18818 573 1 1 . 1 1 103 103 GLY H H 103 8.400 8.400 7.703 0.697 18818 574 1 2 . 1 1 5 5 ARG N N 5 124.100 124.100 120.420 3.680 18818 575 1 2 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.252 -0.202 18818 576 1 2 . 1 1 5 5 ARG C C 5 173.800 173.800 176.800 -3.000 18818 577 1 2 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.898 -0.898 18818 578 1 2 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.029 0.671 18818 579 1 2 . 1 1 5 5 ARG H H 5 8.570 8.570 8.377 0.193 18818 580 1 2 . 1 1 6 6 SER N N 6 117.500 117.500 114.538 2.962 18818 581 1 2 . 1 1 6 6 SER HA H 6 4.510 4.510 4.422 0.088 18818 582 1 2 . 1 1 6 6 SER C C 6 174.100 174.100 174.454 -0.354 18818 583 1 2 . 1 1 6 6 SER CA C 6 58.000 58.000 57.669 0.331 18818 584 1 2 . 1 1 6 6 SER CB C 6 63.700 63.700 64.293 -0.593 18818 585 1 2 . 1 1 6 6 SER H H 6 8.370 8.370 8.069 0.301 18818 586 1 2 . 1 1 7 7 ALA N N 7 125.900 125.900 127.272 -1.372 18818 587 1 2 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.481 -0.081 18818 588 1 2 . 1 1 7 7 ALA C C 7 177.200 177.200 177.470 -0.270 18818 589 1 2 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.194 0.406 18818 590 1 2 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.747 -0.747 18818 591 1 2 . 1 1 7 7 ALA H H 7 8.410 8.410 8.662 -0.252 18818 592 1 2 . 1 1 8 8 ASN N N 8 117.400 117.400 115.943 1.457 18818 593 1 2 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.237 0.533 18818 594 1 2 . 1 1 8 8 ASN C C 8 174.900 174.900 175.187 -0.287 18818 595 1 2 . 1 1 8 8 ASN CA C 8 52.900 52.900 55.747 -2.847 18818 596 1 2 . 1 1 8 8 ASN CB C 8 38.800 38.800 36.963 1.837 18818 597 1 2 . 1 1 8 8 ASN H H 8 8.360 8.360 8.371 -0.011 18818 598 1 2 . 1 1 9 9 ALA N N 9 124.400 124.400 122.656 1.744 18818 599 1 2 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.630 -0.280 18818 600 1 2 . 1 1 9 9 ALA C C 9 177.800 177.800 178.496 -0.696 18818 601 1 2 . 1 1 9 9 ALA CA C 9 52.700 52.700 52.051 0.649 18818 602 1 2 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.708 -0.808 18818 603 1 2 . 1 1 9 9 ALA H H 9 8.270 8.270 8.259 0.011 18818 604 1 2 . 1 1 10 10 GLU N N 10 119.300 119.300 119.266 0.034 18818 605 1 2 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.096 0.214 18818 606 1 2 . 1 1 10 10 GLU C C 10 176.400 176.400 176.254 0.146 18818 607 1 2 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.861 -0.961 18818 608 1 2 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.562 0.038 18818 609 1 2 . 1 1 10 10 GLU H H 10 8.470 8.470 7.671 0.799 18818 610 1 2 . 1 1 11 11 ASP N N 11 120.600 120.600 118.368 2.232 18818 611 1 2 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.718 -0.108 18818 612 1 2 . 1 1 11 11 ASP C C 11 176.100 176.100 175.442 0.658 18818 613 1 2 . 1 1 11 11 ASP CA C 11 54.300 54.300 52.829 1.471 18818 614 1 2 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.282 -0.482 18818 615 1 2 . 1 1 11 11 ASP H H 11 8.200 8.200 7.985 0.215 18818 616 1 2 . 1 1 12 12 ALA N N 12 123.800 123.800 122.175 1.625 18818 617 1 2 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.975 0.115 18818 618 1 2 . 1 1 12 12 ALA C C 12 177.800 177.800 177.092 0.708 18818 619 1 2 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.054 -0.554 18818 620 1 2 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.934 -0.135 18818 621 1 2 . 1 1 12 12 ALA H H 12 8.070 8.070 7.122 0.948 18818 622 1 2 . 1 1 13 13 GLN N N 13 118.500 118.500 119.920 -1.420 18818 623 1 2 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.257 0.013 18818 624 1 2 . 1 1 13 13 GLN C C 13 175.700 175.700 175.981 -0.281 18818 625 1 2 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.709 0.191 18818 626 1 2 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.324 -0.224 18818 627 1 2 . 1 1 13 13 GLN H H 13 8.230 8.230 8.098 0.132 18818 628 1 2 . 1 1 14 14 GLU N N 14 120.600 120.600 119.521 1.079 18818 629 1 2 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.262 0.038 18818 630 1 2 . 1 1 14 14 GLU C C 14 175.800 175.800 176.613 -0.813 18818 631 1 2 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.170 -1.370 18818 632 1 2 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.009 -0.109 18818 633 1 2 . 1 1 14 14 GLU H H 14 8.100 8.100 8.007 0.093 18818 634 1 2 . 1 1 15 15 PHE N N 15 121.100 121.100 118.995 2.105 18818 635 1 2 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.852 0.028 18818 636 1 2 . 1 1 15 15 PHE C C 15 176.900 176.900 176.912 -0.012 18818 637 1 2 . 1 1 15 15 PHE CA C 15 55.300 55.300 54.406 0.894 18818 638 1 2 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.495 -0.195 18818 639 1 2 . 1 1 15 15 PHE H H 15 8.030 8.030 7.552 0.478 18818 640 1 2 . 1 1 16 16 SER N N 16 119.400 119.400 117.705 1.695 18818 641 1 2 . 1 1 16 16 SER HA H 16 4.850 4.850 4.375 0.475 18818 642 1 2 . 1 1 16 16 SER C C 16 174.800 174.800 175.540 -0.740 18818 643 1 2 . 1 1 16 16 SER CA C 16 57.000 57.000 58.782 -1.782 18818 644 1 2 . 1 1 16 16 SER CB C 16 65.600 65.600 64.393 1.207 18818 645 1 2 . 1 1 16 16 SER H H 16 9.530 9.530 8.603 0.927 18818 646 1 2 . 1 1 17 17 ASP N N 17 121.300 121.300 121.975 -0.675 18818 647 1 2 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.460 0.090 18818 648 1 2 . 1 1 17 17 ASP C C 17 179.700 179.700 178.380 1.320 18818 649 1 2 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.730 0.270 18818 650 1 2 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.486 -0.986 18818 651 1 2 . 1 1 17 17 ASP H H 17 9.270 9.270 8.941 0.329 18818 652 1 2 . 1 1 18 18 VAL N N 18 120.600 120.600 120.239 0.361 18818 653 1 2 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.918 -0.238 18818 654 1 2 . 1 1 18 18 VAL C C 18 176.900 176.900 177.411 -0.511 18818 655 1 2 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.321 1.179 18818 656 1 2 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.684 0.216 18818 657 1 2 . 1 1 18 18 VAL H H 18 8.230 8.230 7.919 0.311 18818 658 1 2 . 1 1 19 19 GLU N N 19 121.000 121.000 119.664 1.336 18818 659 1 2 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.106 -0.366 18818 660 1 2 . 1 1 19 19 GLU C C 19 178.600 178.600 178.946 -0.346 18818 661 1 2 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.473 0.527 18818 662 1 2 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.722 -1.022 18818 663 1 2 . 1 1 19 19 GLU H H 19 8.180 8.180 7.664 0.516 18818 664 1 2 . 1 1 20 20 ARG N N 20 118.100 118.100 117.867 0.233 18818 665 1 2 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.528 -0.228 18818 666 1 2 . 1 1 20 20 ARG C C 20 178.700 178.700 178.409 0.291 18818 667 1 2 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.408 0.692 18818 668 1 2 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.934 -0.234 18818 669 1 2 . 1 1 20 20 ARG H H 20 8.920 8.920 8.439 0.481 18818 670 1 2 . 1 1 21 21 ALA N N 21 123.800 123.800 124.486 -0.686 18818 671 1 2 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.144 0.276 18818 672 1 2 . 1 1 21 21 ALA C C 21 179.300 179.300 179.351 -0.051 18818 673 1 2 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.153 0.047 18818 674 1 2 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.315 -0.415 18818 675 1 2 . 1 1 21 21 ALA H H 21 8.060 8.060 7.773 0.287 18818 676 1 2 . 1 1 22 22 ILE N N 22 118.200 118.200 118.060 0.140 18818 677 1 2 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.779 -0.059 18818 678 1 2 . 1 1 22 22 ILE C C 22 177.500 177.500 178.329 -0.829 18818 679 1 2 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.662 0.338 18818 680 1 2 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.808 -0.408 18818 681 1 2 . 1 1 22 22 ILE H H 22 8.010 8.010 7.551 0.459 18818 682 1 2 . 1 1 23 23 GLU N N 23 120.100 120.100 119.151 0.949 18818 683 1 2 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.053 -0.093 18818 684 1 2 . 1 1 23 23 GLU C C 23 178.000 178.000 179.196 -1.196 18818 685 1 2 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.685 0.615 18818 686 1 2 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.538 -0.038 18818 687 1 2 . 1 1 23 23 GLU H H 23 8.450 8.450 7.841 0.609 18818 688 1 2 . 1 1 24 24 THR N N 24 117.300 117.300 116.484 0.816 18818 689 1 2 . 1 1 24 24 THR HA H 24 4.010 4.010 4.114 -0.104 18818 690 1 2 . 1 1 24 24 THR C C 24 177.000 177.000 176.653 0.347 18818 691 1 2 . 1 1 24 24 THR CA C 24 67.100 67.100 66.878 0.222 18818 692 1 2 . 1 1 24 24 THR CB C 24 68.200 68.200 68.512 -0.312 18818 693 1 2 . 1 1 24 24 THR H H 24 8.720 8.720 8.365 0.355 18818 694 1 2 . 1 1 25 25 LEU N N 25 123.400 123.400 121.476 1.924 18818 695 1 2 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.312 -0.032 18818 696 1 2 . 1 1 25 25 LEU C C 25 178.200 178.200 179.036 -0.836 18818 697 1 2 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.212 1.089 18818 698 1 2 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.732 -0.032 18818 699 1 2 . 1 1 25 25 LEU H H 25 8.150 8.150 7.812 0.338 18818 700 1 2 . 1 1 26 26 ILE N N 26 119.500 119.500 120.016 -0.516 18818 701 1 2 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.996 0.004 18818 702 1 2 . 1 1 26 26 ILE C C 26 177.900 177.900 177.732 0.168 18818 703 1 2 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.950 -0.850 18818 704 1 2 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.905 -0.605 18818 705 1 2 . 1 1 26 26 ILE H H 26 8.510 8.510 7.690 0.820 18818 706 1 2 . 1 1 27 27 LYS N N 27 120.500 120.500 118.862 1.638 18818 707 1 2 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.813 0.337 18818 708 1 2 . 1 1 27 27 LYS C C 27 179.600 179.600 178.841 0.759 18818 709 1 2 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.064 2.036 18818 710 1 2 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.264 0.736 18818 711 1 2 . 1 1 27 27 LYS H H 27 9.000 9.000 8.558 0.442 18818 712 1 2 . 1 1 28 28 ASN N N 28 117.300 117.300 117.733 -0.433 18818 713 1 2 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.785 -0.225 18818 714 1 2 . 1 1 28 28 ASN C C 28 176.000 176.000 177.241 -1.241 18818 715 1 2 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.840 1.860 18818 716 1 2 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.824 1.476 18818 717 1 2 . 1 1 28 28 ASN H H 28 7.990 7.990 7.617 0.373 18818 718 1 2 . 1 1 29 29 PHE N N 29 119.100 119.100 122.647 -3.547 18818 719 1 2 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.768 0.142 18818 720 1 2 . 1 1 29 29 PHE C C 29 176.200 176.200 177.506 -1.306 18818 721 1 2 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.699 -0.499 18818 722 1 2 . 1 1 29 29 PHE CB C 29 38.600 38.600 39.047 -0.447 18818 723 1 2 . 1 1 29 29 PHE H H 29 7.990 7.990 8.129 -0.139 18818 724 1 2 . 1 1 30 30 HIS N N 30 114.700 114.700 119.682 -4.982 18818 725 1 2 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.240 0.080 18818 726 1 2 . 1 1 30 30 HIS C C 30 177.400 177.400 177.827 -0.427 18818 727 1 2 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.307 -0.807 18818 728 1 2 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.700 -0.100 18818 729 1 2 . 1 1 30 30 HIS H H 30 8.180 8.180 8.734 -0.554 18818 730 1 2 . 1 1 31 31 GLN N N 31 118.500 118.500 118.549 -0.049 18818 731 1 2 . 1 1 31 31 GLN HA H 31 4.080 4.080 3.981 0.099 18818 732 1 2 . 1 1 31 31 GLN C C 31 176.600 176.600 177.826 -1.226 18818 733 1 2 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.573 -0.773 18818 734 1 2 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.987 -0.587 18818 735 1 2 . 1 1 31 31 GLN H H 31 8.280 8.280 8.287 -0.007 18818 736 1 2 . 1 1 32 32 TYR N N 32 115.700 115.700 114.749 0.951 18818 737 1 2 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.578 -0.368 18818 738 1 2 . 1 1 32 32 TYR C C 32 174.800 174.800 176.604 -1.804 18818 739 1 2 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.009 1.691 18818 740 1 2 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.408 -1.708 18818 741 1 2 . 1 1 32 32 TYR H H 32 7.410 7.410 7.630 -0.220 18818 742 1 2 . 1 1 33 33 SER N N 33 114.000 114.000 117.580 -3.580 18818 743 1 2 . 1 1 33 33 SER HA H 33 4.530 4.530 4.181 0.349 18818 744 1 2 . 1 1 33 33 SER C C 33 175.000 175.000 174.096 0.904 18818 745 1 2 . 1 1 33 33 SER CA C 33 57.200 57.200 59.039 -1.839 18818 746 1 2 . 1 1 33 33 SER CB C 33 63.200 63.200 60.930 2.270 18818 747 1 2 . 1 1 33 33 SER H H 33 7.260 7.260 8.230 -0.970 18818 748 1 2 . 1 1 34 34 VAL N N 34 126.600 126.600 122.476 4.124 18818 749 1 2 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.750 0.260 18818 750 1 2 . 1 1 34 34 VAL C C 34 177.800 177.800 177.255 0.545 18818 751 1 2 . 1 1 34 34 VAL CA C 34 64.400 64.400 65.679 -1.279 18818 752 1 2 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.630 0.470 18818 753 1 2 . 1 1 34 34 VAL H H 34 8.490 8.490 7.787 0.703 18818 754 1 2 . 1 1 35 35 GLU N N 35 122.100 122.100 119.229 2.871 18818 755 1 2 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.168 0.082 18818 756 1 2 . 1 1 35 35 GLU C C 35 177.800 177.800 178.472 -0.672 18818 757 1 2 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.727 -0.227 18818 758 1 2 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.885 -0.085 18818 759 1 2 . 1 1 35 35 GLU H H 35 8.980 8.980 8.514 0.466 18818 760 1 2 . 1 1 36 36 GLY N N 36 108.500 108.500 105.782 2.718 18818 761 1 2 . 1 1 36 36 GLY C C 36 175.000 175.000 174.954 0.046 18818 762 1 2 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.083 0.217 18818 763 1 2 . 1 1 36 36 GLY H H 36 8.490 8.490 8.422 0.068 18818 764 1 2 . 1 1 37 37 GLY N N 37 108.700 108.700 107.523 1.177 18818 765 1 2 . 1 1 37 37 GLY C C 37 174.100 174.100 174.756 -0.656 18818 766 1 2 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.442 0.358 18818 767 1 2 . 1 1 37 37 GLY H H 37 8.140 8.140 7.392 0.748 18818 768 1 2 . 1 1 38 38 LYS N N 38 118.000 118.000 114.548 3.452 18818 769 1 2 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.843 0.627 18818 770 1 2 . 1 1 38 38 LYS C C 38 176.000 176.000 177.039 -1.039 18818 771 1 2 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.371 -1.272 18818 772 1 2 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.168 2.532 18818 773 1 2 . 1 1 38 38 LYS H H 38 8.050 8.050 8.618 -0.568 18818 774 1 2 . 1 1 39 39 GLU N N 39 118.100 118.100 116.128 1.972 18818 775 1 2 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.352 0.208 18818 776 1 2 . 1 1 39 39 GLU C C 39 175.600 175.600 176.405 -0.805 18818 777 1 2 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.137 -0.337 18818 778 1 2 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.783 -0.583 18818 779 1 2 . 1 1 39 39 GLU H H 39 8.630 8.630 7.978 0.652 18818 780 1 2 . 1 1 40 40 THR N N 40 108.100 108.100 109.907 -1.807 18818 781 1 2 . 1 1 40 40 THR HA H 40 5.160 5.160 5.167 -0.007 18818 782 1 2 . 1 1 40 40 THR C C 40 173.400 173.400 173.362 0.038 18818 783 1 2 . 1 1 40 40 THR CA C 40 59.300 59.300 60.578 -1.278 18818 784 1 2 . 1 1 40 40 THR CB C 40 72.100 72.100 72.307 -0.207 18818 785 1 2 . 1 1 40 40 THR H H 40 7.490 7.490 7.758 -0.268 18818 786 1 2 . 1 1 41 41 LEU N N 41 120.700 120.700 121.608 -0.908 18818 787 1 2 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.547 0.493 18818 788 1 2 . 1 1 41 41 LEU C C 41 177.000 177.000 176.128 0.872 18818 789 1 2 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.325 -0.025 18818 790 1 2 . 1 1 41 41 LEU CB C 41 45.300 45.300 43.944 1.357 18818 791 1 2 . 1 1 41 41 LEU H H 41 8.660 8.660 8.658 0.002 18818 792 1 2 . 1 1 42 42 THR N N 42 113.500 113.500 110.811 2.689 18818 793 1 2 . 1 1 42 42 THR HA H 42 5.000 5.000 4.828 0.172 18818 794 1 2 . 1 1 42 42 THR C C 42 174.100 174.100 173.266 0.834 18818 795 1 2 . 1 1 42 42 THR CA C 42 59.800 59.800 58.941 0.859 18818 796 1 2 . 1 1 42 42 THR CB C 42 68.100 68.100 70.427 -2.327 18818 797 1 2 . 1 1 42 42 THR H H 42 9.130 9.130 8.220 0.910 18818 798 1 2 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.263 -0.113 18818 799 1 2 . 1 1 43 43 PRO C C 43 178.600 178.600 178.434 0.166 18818 800 1 2 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.296 -0.096 18818 801 1 2 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.714 -0.014 18818 802 1 2 . 1 1 44 44 SER N N 44 111.600 111.600 112.037 -0.437 18818 803 1 2 . 1 1 44 44 SER HA H 44 4.170 4.170 4.213 -0.043 18818 804 1 2 . 1 1 44 44 SER C C 44 176.200 176.200 175.888 0.312 18818 805 1 2 . 1 1 44 44 SER CA C 44 61.500 61.500 62.365 -0.865 18818 806 1 2 . 1 1 44 44 SER CB C 44 62.200 62.200 62.795 -0.596 18818 807 1 2 . 1 1 44 44 SER H H 44 8.090 8.090 8.824 -0.734 18818 808 1 2 . 1 1 45 45 GLU N N 45 123.900 123.900 120.615 3.285 18818 809 1 2 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.326 -0.066 18818 810 1 2 . 1 1 45 45 GLU C C 45 179.000 179.000 178.306 0.694 18818 811 1 2 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.925 1.175 18818 812 1 2 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.779 -0.079 18818 813 1 2 . 1 1 45 45 GLU H H 45 7.700 7.700 7.709 -0.009 18818 814 1 2 . 1 1 46 46 LEU N N 46 118.900 118.900 123.647 -4.747 18818 815 1 2 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.092 -0.012 18818 816 1 2 . 1 1 46 46 LEU C C 46 177.600 177.600 178.322 -0.722 18818 817 1 2 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.022 -0.722 18818 818 1 2 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.717 -0.817 18818 819 1 2 . 1 1 46 46 LEU H H 46 8.400 8.400 8.441 -0.041 18818 820 1 2 . 1 1 47 47 ARG N N 47 119.300 119.300 116.504 2.796 18818 821 1 2 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.052 -0.282 18818 822 1 2 . 1 1 47 47 ARG C C 47 178.900 178.900 178.517 0.383 18818 823 1 2 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.825 1.175 18818 824 1 2 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.208 -0.208 18818 825 1 2 . 1 1 47 47 ARG H H 47 8.260 8.260 8.433 -0.173 18818 826 1 2 . 1 1 48 48 ASP N N 48 122.300 122.300 121.173 1.127 18818 827 1 2 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.543 -0.113 18818 828 1 2 . 1 1 48 48 ASP C C 48 176.700 176.700 177.870 -1.170 18818 829 1 2 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.150 0.350 18818 830 1 2 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.365 -1.965 18818 831 1 2 . 1 1 48 48 ASP H H 48 8.160 8.160 7.465 0.695 18818 832 1 2 . 1 1 49 49 LEU N N 49 122.600 122.600 119.138 3.462 18818 833 1 2 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.931 -0.761 18818 834 1 2 . 1 1 49 49 LEU C C 49 179.100 179.100 178.510 0.590 18818 835 1 2 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.615 1.385 18818 836 1 2 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.118 0.182 18818 837 1 2 . 1 1 49 49 LEU H H 49 7.980 7.980 8.122 -0.142 18818 838 1 2 . 1 1 50 50 VAL N N 50 118.200 118.200 119.897 -1.697 18818 839 1 2 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.687 -0.137 18818 840 1 2 . 1 1 50 50 VAL C C 50 178.800 178.800 178.305 0.495 18818 841 1 2 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.095 -0.695 18818 842 1 2 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.077 0.423 18818 843 1 2 . 1 1 50 50 VAL H H 50 8.390 8.390 8.093 0.297 18818 844 1 2 . 1 1 51 51 THR N N 51 115.000 115.000 113.716 1.284 18818 845 1 2 . 1 1 51 51 THR HA H 51 3.990 3.990 4.162 -0.172 18818 846 1 2 . 1 1 51 51 THR C C 51 176.000 176.000 176.150 -0.150 18818 847 1 2 . 1 1 51 51 THR CA C 51 65.800 65.800 65.079 0.721 18818 848 1 2 . 1 1 51 51 THR CB C 51 68.900 68.900 68.806 0.094 18818 849 1 2 . 1 1 51 51 THR H H 51 8.480 8.480 7.568 0.912 18818 850 1 2 . 1 1 52 52 GLN N N 52 116.400 116.400 118.998 -2.598 18818 851 1 2 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.294 -0.044 18818 852 1 2 . 1 1 52 52 GLN C C 52 178.300 178.300 177.497 0.803 18818 853 1 2 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.890 -0.090 18818 854 1 2 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.388 -0.888 18818 855 1 2 . 1 1 52 52 GLN H H 52 8.180 8.180 8.071 0.109 18818 856 1 2 . 1 1 53 53 GLN N N 53 112.100 112.100 114.615 -2.515 18818 857 1 2 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.592 0.258 18818 858 1 2 . 1 1 53 53 GLN C C 53 176.900 176.900 176.124 0.776 18818 859 1 2 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.852 -0.852 18818 860 1 2 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.149 -2.749 18818 861 1 2 . 1 1 53 53 GLN H H 53 8.490 8.490 8.039 0.451 18818 862 1 2 . 1 1 54 54 LEU N N 54 119.800 119.800 120.581 -0.781 18818 863 1 2 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.921 0.329 18818 864 1 2 . 1 1 54 54 LEU C C 54 176.900 176.900 174.711 2.189 18818 865 1 2 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.642 1.258 18818 866 1 2 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.139 -0.039 18818 867 1 2 . 1 1 54 54 LEU H H 54 7.920 7.920 7.531 0.389 18818 868 1 2 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.610 -0.140 18818 869 1 2 . 1 1 55 55 PRO C C 55 178.300 178.300 177.805 0.495 18818 870 1 2 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.512 0.788 18818 871 1 2 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.698 -0.998 18818 872 1 2 . 1 1 56 56 HIS N N 56 116.500 116.500 117.974 -1.474 18818 873 1 2 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.485 0.105 18818 874 1 2 . 1 1 56 56 HIS C C 56 176.300 176.300 177.107 -0.807 18818 875 1 2 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.644 0.156 18818 876 1 2 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.308 -1.008 18818 877 1 2 . 1 1 56 56 HIS H H 56 9.770 9.770 7.811 1.959 18818 878 1 2 . 1 1 57 57 LEU N N 57 116.600 116.600 119.335 -2.735 18818 879 1 2 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.196 0.134 18818 880 1 2 . 1 1 57 57 LEU C C 57 176.400 176.400 176.246 0.154 18818 881 1 2 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.229 -0.829 18818 882 1 2 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.055 0.445 18818 883 1 2 . 1 1 57 57 LEU H H 57 7.830 7.830 8.053 -0.223 18818 884 1 2 . 1 1 58 58 MET N N 58 118.000 118.000 111.846 6.154 18818 885 1 2 . 1 1 58 58 MET HA H 58 4.540 4.540 4.976 -0.436 18818 886 1 2 . 1 1 58 58 MET C C 58 171.600 171.600 173.003 -1.403 18818 887 1 2 . 1 1 58 58 MET CA C 58 53.500 53.500 53.114 0.386 18818 888 1 2 . 1 1 58 58 MET CB C 58 32.700 32.700 34.403 -1.703 18818 889 1 2 . 1 1 58 58 MET H H 58 7.970 7.970 7.706 0.264 18818 890 1 2 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.767 -0.317 18818 891 1 2 . 1 1 59 59 PRO C C 59 177.400 177.400 178.300 -0.900 18818 892 1 2 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.472 0.628 18818 893 1 2 . 1 1 59 59 PRO CB C 59 31.900 31.900 33.021 -1.121 18818 894 1 2 . 1 1 60 60 SER N N 60 114.900 114.900 117.698 -2.798 18818 895 1 2 . 1 1 60 60 SER HA H 60 4.340 4.340 4.021 0.319 18818 896 1 2 . 1 1 60 60 SER C C 60 174.700 174.700 176.073 -1.373 18818 897 1 2 . 1 1 60 60 SER CA C 60 59.100 59.100 60.930 -1.830 18818 898 1 2 . 1 1 60 60 SER CB C 60 63.200 63.200 62.944 0.256 18818 899 1 2 . 1 1 60 60 SER H H 60 8.360 8.360 8.790 -0.430 18818 900 1 2 . 1 1 61 61 ASN N N 61 120.800 120.800 119.825 0.975 18818 901 1 2 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.520 0.290 18818 902 1 2 . 1 1 61 61 ASN C C 61 175.500 175.500 176.239 -0.739 18818 903 1 2 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.345 -2.345 18818 904 1 2 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.161 -0.261 18818 905 1 2 . 1 1 61 61 ASN H H 61 7.990 7.990 8.137 -0.147 18818 906 1 2 . 1 1 62 62 CYS N N 62 117.800 117.800 116.649 1.151 18818 907 1 2 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.383 0.207 18818 908 1 2 . 1 1 62 62 CYS C C 62 175.300 175.300 175.035 0.265 18818 909 1 2 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.971 -0.771 18818 910 1 2 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.457 -0.057 18818 911 1 2 . 1 1 62 62 CYS H H 62 8.260 8.260 7.569 0.691 18818 912 1 2 . 1 1 63 63 GLY N N 63 111.300 111.300 109.104 2.196 18818 913 1 2 . 1 1 63 63 GLY C C 63 175.600 175.600 175.557 0.043 18818 914 1 2 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.123 1.177 18818 915 1 2 . 1 1 63 63 GLY H H 63 8.520 8.520 7.899 0.621 18818 916 1 2 . 1 1 64 64 LEU N N 64 122.400 122.400 120.826 1.574 18818 917 1 2 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.154 -0.104 18818 918 1 2 . 1 1 64 64 LEU C C 64 177.900 177.900 178.139 -0.239 18818 919 1 2 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.134 1.466 18818 920 1 2 . 1 1 64 64 LEU CB C 64 42.000 42.000 40.993 1.007 18818 921 1 2 . 1 1 64 64 LEU H H 64 7.910 7.910 8.416 -0.506 18818 922 1 2 . 1 1 65 65 GLU N N 65 117.900 117.900 121.725 -3.825 18818 923 1 2 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.922 -0.012 18818 924 1 2 . 1 1 65 65 GLU C C 65 179.100 179.100 178.054 1.046 18818 925 1 2 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.616 1.384 18818 926 1 2 . 1 1 65 65 GLU CB C 65 28.400 28.400 27.913 0.486 18818 927 1 2 . 1 1 65 65 GLU H H 65 8.660 8.660 8.353 0.307 18818 928 1 2 . 1 1 66 66 GLU N N 66 120.000 120.000 119.545 0.455 18818 929 1 2 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.020 0.100 18818 930 1 2 . 1 1 66 66 GLU C C 66 178.200 178.200 178.781 -0.581 18818 931 1 2 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.076 0.024 18818 932 1 2 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.094 0.006 18818 933 1 2 . 1 1 66 66 GLU H H 66 8.220 8.220 8.296 -0.076 18818 934 1 2 . 1 1 67 67 LYS N N 67 119.300 119.300 118.088 1.212 18818 935 1 2 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.184 -0.044 18818 936 1 2 . 1 1 67 67 LYS C C 67 179.400 179.400 178.947 0.453 18818 937 1 2 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.375 1.525 18818 938 1 2 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.104 -0.004 18818 939 1 2 . 1 1 67 67 LYS H H 67 7.780 7.780 7.875 -0.095 18818 940 1 2 . 1 1 68 68 ILE N N 68 118.400 118.400 120.372 -1.972 18818 941 1 2 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.752 -0.032 18818 942 1 2 . 1 1 68 68 ILE C C 68 177.800 177.800 177.460 0.340 18818 943 1 2 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.770 -0.270 18818 944 1 2 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.659 -0.359 18818 945 1 2 . 1 1 68 68 ILE H H 68 8.230 8.230 7.443 0.787 18818 946 1 2 . 1 1 69 69 ALA N N 69 122.900 122.900 121.110 1.790 18818 947 1 2 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.045 0.175 18818 948 1 2 . 1 1 69 69 ALA C C 69 179.600 179.600 178.574 1.026 18818 949 1 2 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.785 -0.385 18818 950 1 2 . 1 1 69 69 ALA CB C 69 17.900 17.900 17.936 -0.036 18818 951 1 2 . 1 1 69 69 ALA H H 69 8.070 8.070 8.104 -0.034 18818 952 1 2 . 1 1 70 70 ASN N N 70 115.400 115.400 114.551 0.849 18818 953 1 2 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.570 0.300 18818 954 1 2 . 1 1 70 70 ASN C C 70 176.500 176.500 176.268 0.232 18818 955 1 2 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.402 -1.102 18818 956 1 2 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.699 -0.999 18818 957 1 2 . 1 1 70 70 ASN H H 70 7.880 7.880 7.713 0.167 18818 958 1 2 . 1 1 71 71 LEU N N 71 120.600 120.600 116.609 3.991 18818 959 1 2 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.587 -0.257 18818 960 1 2 . 1 1 71 71 LEU C C 71 178.300 178.300 178.470 -0.170 18818 961 1 2 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.928 0.372 18818 962 1 2 . 1 1 71 71 LEU CB C 71 42.300 42.300 40.623 1.677 18818 963 1 2 . 1 1 71 71 LEU H H 71 7.820 7.820 7.439 0.381 18818 964 1 2 . 1 1 72 72 GLY N N 72 106.800 106.800 108.011 -1.211 18818 965 1 2 . 1 1 72 72 GLY C C 72 174.400 174.400 175.098 -0.698 18818 966 1 2 . 1 1 72 72 GLY CA C 72 45.700 45.700 46.534 -0.834 18818 967 1 2 . 1 1 72 72 GLY H H 72 8.240 8.240 8.236 0.004 18818 968 1 2 . 1 1 73 73 SER N N 73 115.600 115.600 114.660 0.940 18818 969 1 2 . 1 1 73 73 SER HA H 73 4.570 4.570 4.299 0.271 18818 970 1 2 . 1 1 73 73 SER C C 73 175.000 175.000 174.796 0.204 18818 971 1 2 . 1 1 73 73 SER CA C 73 58.900 58.900 59.508 -0.608 18818 972 1 2 . 1 1 73 73 SER CB C 73 63.600 63.600 63.380 0.220 18818 973 1 2 . 1 1 73 73 SER H H 73 8.220 8.220 7.933 0.287 18818 974 1 2 . 1 1 74 74 CYS N N 74 119.300 119.300 121.493 -2.193 18818 975 1 2 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.414 0.236 18818 976 1 2 . 1 1 74 74 CYS C C 74 174.500 174.500 174.024 0.476 18818 977 1 2 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.825 -0.125 18818 978 1 2 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.231 -1.531 18818 979 1 2 . 1 1 74 74 CYS H H 74 8.260 8.260 7.754 0.506 18818 980 1 2 . 1 1 75 75 ASN N N 75 120.000 120.000 122.702 -2.702 18818 981 1 2 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.816 0.024 18818 982 1 2 . 1 1 75 75 ASN C C 75 174.700 174.700 175.478 -0.778 18818 983 1 2 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.965 -0.165 18818 984 1 2 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.030 -1.130 18818 985 1 2 . 1 1 75 75 ASN H H 75 8.430 8.430 8.734 -0.304 18818 986 1 2 . 1 1 76 76 ASP N N 76 119.200 119.200 119.789 -0.589 18818 987 1 2 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.832 -0.162 18818 988 1 2 . 1 1 76 76 ASP C C 76 175.500 175.500 176.480 -0.980 18818 989 1 2 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.684 -0.284 18818 990 1 2 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.941 -1.341 18818 991 1 2 . 1 1 76 76 ASP H H 76 8.300 8.300 8.460 -0.160 18818 992 1 2 . 1 1 77 77 SER N N 77 112.800 112.800 115.199 -2.399 18818 993 1 2 . 1 1 77 77 SER HA H 77 4.260 4.260 4.436 -0.176 18818 994 1 2 . 1 1 77 77 SER C C 77 173.300 173.300 174.264 -0.964 18818 995 1 2 . 1 1 77 77 SER CA C 77 59.000 59.000 59.092 -0.092 18818 996 1 2 . 1 1 77 77 SER CB C 77 63.100 63.100 63.488 -0.388 18818 997 1 2 . 1 1 77 77 SER H H 77 8.220 8.220 8.315 -0.095 18818 998 1 2 . 1 1 78 78 LYS N N 78 120.600 120.600 117.557 3.043 18818 999 1 2 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.008 0.552 18818 1000 1 2 . 1 1 78 78 LYS C C 78 175.300 175.300 176.719 -1.419 18818 1001 1 2 . 1 1 78 78 LYS CA C 78 55.600 55.600 56.888 -1.288 18818 1002 1 2 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.642 1.659 18818 1003 1 2 . 1 1 78 78 LYS H H 78 7.930 7.930 7.694 0.236 18818 1004 1 2 . 1 1 79 79 LEU N N 79 123.700 123.700 122.984 0.716 18818 1005 1 2 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.531 0.249 18818 1006 1 2 . 1 1 79 79 LEU C C 79 176.100 176.100 176.688 -0.588 18818 1007 1 2 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.235 -0.035 18818 1008 1 2 . 1 1 79 79 LEU CB C 79 42.000 42.000 40.231 1.769 18818 1009 1 2 . 1 1 79 79 LEU H H 79 9.020 9.020 8.772 0.248 18818 1010 1 2 . 1 1 80 80 GLU N N 80 121.200 121.200 121.295 -0.095 18818 1011 1 2 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.509 0.391 18818 1012 1 2 . 1 1 80 80 GLU C C 80 177.100 177.100 178.144 -1.044 18818 1013 1 2 . 1 1 80 80 GLU CA C 80 55.200 55.200 56.399 -1.199 18818 1014 1 2 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.494 1.106 18818 1015 1 2 . 1 1 80 80 GLU H H 80 8.630 8.630 7.697 0.933 18818 1016 1 2 . 1 1 81 81 PHE N N 81 123.500 123.500 122.852 0.648 18818 1017 1 2 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.184 0.346 18818 1018 1 2 . 1 1 81 81 PHE C C 81 177.000 177.000 177.151 -0.151 18818 1019 1 2 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.561 0.739 18818 1020 1 2 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.764 -0.264 18818 1021 1 2 . 1 1 81 81 PHE H H 81 9.360 9.360 8.886 0.474 18818 1022 1 2 . 1 1 82 82 ARG N N 82 116.500 116.500 118.609 -2.109 18818 1023 1 2 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.819 0.221 18818 1024 1 2 . 1 1 82 82 ARG C C 82 178.000 178.000 178.613 -0.613 18818 1025 1 2 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.937 0.263 18818 1026 1 2 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.475 -0.275 18818 1027 1 2 . 1 1 82 82 ARG H H 82 8.940 8.940 8.512 0.428 18818 1028 1 2 . 1 1 83 83 SER N N 83 115.700 115.700 115.308 0.392 18818 1029 1 2 . 1 1 83 83 SER HA H 83 4.510 4.510 4.268 0.242 18818 1030 1 2 . 1 1 83 83 SER C C 83 175.800 175.800 176.378 -0.578 18818 1031 1 2 . 1 1 83 83 SER CA C 83 61.700 61.700 61.658 0.042 18818 1032 1 2 . 1 1 83 83 SER CB C 83 62.700 62.700 63.021 -0.321 18818 1033 1 2 . 1 1 83 83 SER H H 83 7.610 7.610 7.908 -0.298 18818 1034 1 2 . 1 1 84 84 PHE N N 84 122.200 122.200 122.918 -0.718 18818 1035 1 2 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.268 -0.048 18818 1036 1 2 . 1 1 84 84 PHE C C 84 175.000 175.000 176.799 -1.799 18818 1037 1 2 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.165 -1.165 18818 1038 1 2 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.548 -0.348 18818 1039 1 2 . 1 1 84 84 PHE H H 84 7.490 7.490 7.600 -0.110 18818 1040 1 2 . 1 1 85 85 TRP N N 85 120.700 120.700 120.001 0.699 18818 1041 1 2 . 1 1 85 85 TRP HA H 85 3.760 3.760 3.991 -0.231 18818 1042 1 2 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.878 -1.078 18818 1043 1 2 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.312 -0.112 18818 1044 1 2 . 1 1 85 85 TRP H H 85 8.770 8.770 8.559 0.211 18818 1045 1 2 . 1 1 86 86 GLU N N 86 119.100 119.100 117.775 1.325 18818 1046 1 2 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.855 0.225 18818 1047 1 2 . 1 1 86 86 GLU C C 86 179.100 179.100 178.927 0.173 18818 1048 1 2 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.038 0.262 18818 1049 1 2 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.300 0.200 18818 1050 1 2 . 1 1 86 86 GLU H H 86 8.150 8.150 8.217 -0.067 18818 1051 1 2 . 1 1 87 87 LEU N N 87 120.800 120.800 119.098 1.702 18818 1052 1 2 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.076 -0.026 18818 1053 1 2 . 1 1 87 87 LEU C C 87 178.900 178.900 177.721 1.179 18818 1054 1 2 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.908 0.992 18818 1055 1 2 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.142 -0.842 18818 1056 1 2 . 1 1 87 87 LEU H H 87 7.600 7.600 7.495 0.105 18818 1057 1 2 . 1 1 88 88 ILE N N 88 115.200 115.200 120.009 -4.809 18818 1058 1 2 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.450 0.130 18818 1059 1 2 . 1 1 88 88 ILE C C 88 177.300 177.300 177.470 -0.170 18818 1060 1 2 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.907 -1.907 18818 1061 1 2 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.894 -1.294 18818 1062 1 2 . 1 1 88 88 ILE H H 88 7.960 7.960 7.235 0.725 18818 1063 1 2 . 1 1 89 89 GLY N N 89 108.100 108.100 107.129 0.971 18818 1064 1 2 . 1 1 89 89 GLY C C 89 175.700 175.700 175.567 0.133 18818 1065 1 2 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.194 -1.794 18818 1066 1 2 . 1 1 89 89 GLY H H 89 7.620 7.620 8.187 -0.567 18818 1067 1 2 . 1 1 90 90 GLU N N 90 120.000 120.000 122.006 -2.006 18818 1068 1 2 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.154 -0.194 18818 1069 1 2 . 1 1 90 90 GLU C C 90 179.100 179.100 178.929 0.171 18818 1070 1 2 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.773 0.427 18818 1071 1 2 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.131 -0.332 18818 1072 1 2 . 1 1 90 90 GLU H H 90 7.410 7.410 7.465 -0.055 18818 1073 1 2 . 1 1 91 91 ALA N N 91 122.400 122.400 123.280 -0.880 18818 1074 1 2 . 1 1 91 91 ALA HA H 91 4.020 4.020 4.005 0.015 18818 1075 1 2 . 1 1 91 91 ALA C C 91 178.700 178.700 178.775 -0.075 18818 1076 1 2 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.820 -0.820 18818 1077 1 2 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.348 -0.348 18818 1078 1 2 . 1 1 91 91 ALA H H 91 7.610 7.610 8.069 -0.459 18818 1079 1 2 . 1 1 92 92 ALA N N 92 118.000 118.000 116.788 1.212 18818 1080 1 2 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.377 -0.707 18818 1081 1 2 . 1 1 92 92 ALA C C 92 177.900 177.900 177.691 0.209 18818 1082 1 2 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.270 0.630 18818 1083 1 2 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.320 -0.420 18818 1084 1 2 . 1 1 92 92 ALA H H 92 7.740 7.740 7.997 -0.257 18818 1085 1 2 . 1 1 93 93 LYS N N 93 114.600 114.600 117.198 -2.598 18818 1086 1 2 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.280 -0.510 18818 1087 1 2 . 1 1 93 93 LYS C C 93 177.000 177.000 177.707 -0.707 18818 1088 1 2 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.914 0.586 18818 1089 1 2 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.267 -0.467 18818 1090 1 2 . 1 1 93 93 LYS H H 93 7.200 7.200 7.581 -0.381 18818 1091 1 2 . 1 1 94 94 SER N N 94 113.000 113.000 113.968 -0.968 18818 1092 1 2 . 1 1 94 94 SER HA H 94 4.450 4.450 4.314 0.136 18818 1093 1 2 . 1 1 94 94 SER C C 94 174.500 174.500 174.887 -0.387 18818 1094 1 2 . 1 1 94 94 SER CA C 94 58.800 58.800 60.006 -1.206 18818 1095 1 2 . 1 1 94 94 SER CB C 94 63.900 63.900 64.061 -0.161 18818 1096 1 2 . 1 1 94 94 SER H H 94 7.530 7.530 7.664 -0.134 18818 1097 1 2 . 1 1 95 95 VAL N N 95 122.100 122.100 120.566 1.534 18818 1098 1 2 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.248 -0.308 18818 1099 1 2 . 1 1 95 95 VAL C C 95 175.400 175.400 173.423 1.977 18818 1100 1 2 . 1 1 95 95 VAL CA C 95 63.200 63.200 60.972 2.228 18818 1101 1 2 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.114 -1.614 18818 1102 1 2 . 1 1 95 95 VAL H H 95 7.440 7.440 7.559 -0.119 18818 1103 1 2 . 1 1 96 96 LYS N N 96 126.300 126.300 126.713 -0.413 18818 1104 1 2 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.583 -0.183 18818 1105 1 2 . 1 1 96 96 LYS C C 96 176.000 176.000 175.550 0.450 18818 1106 1 2 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.375 0.125 18818 1107 1 2 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.837 -2.337 18818 1108 1 2 . 1 1 96 96 LYS H H 96 8.470 8.470 8.142 0.328 18818 1109 1 2 . 1 1 97 97 LEU N N 97 123.400 123.400 120.389 3.011 18818 1110 1 2 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.425 -0.015 18818 1111 1 2 . 1 1 97 97 LEU C C 97 176.700 176.700 177.112 -0.412 18818 1112 1 2 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.108 -0.708 18818 1113 1 2 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.488 -0.188 18818 1114 1 2 . 1 1 97 97 LEU H H 97 8.140 8.140 8.507 -0.367 18818 1115 1 2 . 1 1 98 98 GLU N N 98 121.400 121.400 121.079 0.321 18818 1116 1 2 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.262 0.078 18818 1117 1 2 . 1 1 98 98 GLU C C 98 175.900 175.900 176.901 -1.001 18818 1118 1 2 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.190 -0.990 18818 1119 1 2 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.077 0.023 18818 1120 1 2 . 1 1 98 98 GLU H H 98 8.320 8.320 8.815 -0.495 18818 1121 1 2 . 1 1 99 99 ARG N N 99 122.800 122.800 120.431 2.369 18818 1122 1 2 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.520 0.290 18818 1123 1 2 . 1 1 99 99 ARG C C 99 173.900 173.900 173.891 0.009 18818 1124 1 2 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.693 -1.093 18818 1125 1 2 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.085 -0.185 18818 1126 1 2 . 1 1 99 99 ARG H H 99 8.280 8.280 7.757 0.523 18818 1127 1 2 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.444 0.076 18818 1128 1 2 . 1 1 100 100 PRO C C 100 176.700 176.700 175.989 0.711 18818 1129 1 2 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.772 0.028 18818 1130 1 2 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.989 -0.289 18818 1131 1 2 . 1 1 101 101 VAL N N 101 120.500 120.500 122.341 -1.841 18818 1132 1 2 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.266 -0.136 18818 1133 1 2 . 1 1 101 101 VAL C C 101 176.000 176.000 176.213 -0.213 18818 1134 1 2 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.489 -0.389 18818 1135 1 2 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.472 -1.272 18818 1136 1 2 . 1 1 101 101 VAL H H 101 8.230 8.230 8.350 -0.120 18818 1137 1 2 . 1 1 102 102 ARG N N 102 124.600 124.600 125.591 -0.991 18818 1138 1 2 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.557 -0.137 18818 1139 1 2 . 1 1 102 102 ARG C C 102 176.400 176.400 176.893 -0.493 18818 1140 1 2 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.734 0.166 18818 1141 1 2 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.492 0.207 18818 1142 1 2 . 1 1 102 102 ARG H H 102 8.390 8.390 8.768 -0.378 18818 1143 1 2 . 1 1 103 103 GLY N N 103 110.400 110.400 108.275 2.125 18818 1144 1 2 . 1 1 103 103 GLY C C 103 172.900 172.900 174.066 -1.166 18818 1145 1 2 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.087 -0.087 18818 1146 1 2 . 1 1 103 103 GLY H H 103 8.400 8.400 7.920 0.480 18818 1147 1 3 . 1 1 5 5 ARG N N 5 124.100 124.100 121.058 3.042 18818 1148 1 3 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.137 -0.087 18818 1149 1 3 . 1 1 5 5 ARG C C 5 173.800 173.800 175.223 -1.423 18818 1150 1 3 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.593 -0.593 18818 1151 1 3 . 1 1 5 5 ARG CB C 5 30.700 30.700 28.884 1.816 18818 1152 1 3 . 1 1 5 5 ARG H H 5 8.570 8.570 8.617 -0.047 18818 1153 1 3 . 1 1 6 6 SER N N 6 117.500 117.500 115.094 2.406 18818 1154 1 3 . 1 1 6 6 SER HA H 6 4.510 4.510 4.525 -0.015 18818 1155 1 3 . 1 1 6 6 SER C C 6 174.100 174.100 174.669 -0.569 18818 1156 1 3 . 1 1 6 6 SER CA C 6 58.000 58.000 58.333 -0.333 18818 1157 1 3 . 1 1 6 6 SER CB C 6 63.700 63.700 63.921 -0.221 18818 1158 1 3 . 1 1 6 6 SER H H 6 8.370 8.370 8.079 0.291 18818 1159 1 3 . 1 1 7 7 ALA N N 7 125.900 125.900 127.683 -1.783 18818 1160 1 3 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.570 -0.170 18818 1161 1 3 . 1 1 7 7 ALA C C 7 177.200 177.200 175.576 1.624 18818 1162 1 3 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.597 1.003 18818 1163 1 3 . 1 1 7 7 ALA CB C 7 19.000 19.000 21.846 -2.846 18818 1164 1 3 . 1 1 7 7 ALA H H 7 8.410 8.410 8.385 0.025 18818 1165 1 3 . 1 1 8 8 ASN N N 8 117.400 117.400 119.753 -2.353 18818 1166 1 3 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.794 -0.024 18818 1167 1 3 . 1 1 8 8 ASN C C 8 174.900 174.900 175.842 -0.942 18818 1168 1 3 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.823 -0.923 18818 1169 1 3 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.570 -1.770 18818 1170 1 3 . 1 1 8 8 ASN H H 8 8.360 8.360 9.027 -0.667 18818 1171 1 3 . 1 1 9 9 ALA N N 9 124.400 124.400 128.883 -4.483 18818 1172 1 3 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.670 0.680 18818 1173 1 3 . 1 1 9 9 ALA C C 9 177.800 177.800 177.957 -0.157 18818 1174 1 3 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.069 -1.369 18818 1175 1 3 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.688 1.212 18818 1176 1 3 . 1 1 9 9 ALA H H 9 8.270 8.270 8.949 -0.679 18818 1177 1 3 . 1 1 10 10 GLU N N 10 119.300 119.300 116.459 2.841 18818 1178 1 3 . 1 1 10 10 GLU HA H 10 4.310 4.310 3.885 0.425 18818 1179 1 3 . 1 1 10 10 GLU C C 10 176.400 176.400 176.490 -0.090 18818 1180 1 3 . 1 1 10 10 GLU CA C 10 56.900 56.900 59.060 -2.160 18818 1181 1 3 . 1 1 10 10 GLU CB C 10 29.600 29.600 27.806 1.794 18818 1182 1 3 . 1 1 10 10 GLU H H 10 8.470 8.470 8.610 -0.140 18818 1183 1 3 . 1 1 11 11 ASP N N 11 120.600 120.600 118.701 1.899 18818 1184 1 3 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.635 -0.025 18818 1185 1 3 . 1 1 11 11 ASP C C 11 176.100 176.100 175.899 0.201 18818 1186 1 3 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.241 0.059 18818 1187 1 3 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.493 -0.693 18818 1188 1 3 . 1 1 11 11 ASP H H 11 8.200 8.200 8.092 0.108 18818 1189 1 3 . 1 1 12 12 ALA N N 12 123.800 123.800 122.346 1.454 18818 1190 1 3 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.548 0.542 18818 1191 1 3 . 1 1 12 12 ALA C C 12 177.800 177.800 175.773 2.027 18818 1192 1 3 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.805 -0.305 18818 1193 1 3 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.230 1.570 18818 1194 1 3 . 1 1 12 12 ALA H H 12 8.070 8.070 7.777 0.293 18818 1195 1 3 . 1 1 13 13 GLN N N 13 118.500 118.500 118.817 -0.317 18818 1196 1 3 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.431 -0.161 18818 1197 1 3 . 1 1 13 13 GLN C C 13 175.700 175.700 175.746 -0.046 18818 1198 1 3 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.734 0.166 18818 1199 1 3 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.578 -0.478 18818 1200 1 3 . 1 1 13 13 GLN H H 13 8.230 8.230 8.558 -0.328 18818 1201 1 3 . 1 1 14 14 GLU N N 14 120.600 120.600 118.990 1.610 18818 1202 1 3 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.390 -0.090 18818 1203 1 3 . 1 1 14 14 GLU C C 14 175.800 175.800 175.870 -0.070 18818 1204 1 3 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.458 -0.658 18818 1205 1 3 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.219 -0.319 18818 1206 1 3 . 1 1 14 14 GLU H H 14 8.100 8.100 8.033 0.067 18818 1207 1 3 . 1 1 15 15 PHE N N 15 121.100 121.100 119.854 1.246 18818 1208 1 3 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.655 0.225 18818 1209 1 3 . 1 1 15 15 PHE C C 15 176.900 176.900 176.550 0.350 18818 1210 1 3 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.086 -0.786 18818 1211 1 3 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.353 -0.053 18818 1212 1 3 . 1 1 15 15 PHE H H 15 8.030 8.030 7.546 0.484 18818 1213 1 3 . 1 1 16 16 SER N N 16 119.400 119.400 116.963 2.437 18818 1214 1 3 . 1 1 16 16 SER HA H 16 4.850 4.850 4.531 0.319 18818 1215 1 3 . 1 1 16 16 SER C C 16 174.800 174.800 175.173 -0.373 18818 1216 1 3 . 1 1 16 16 SER CA C 16 57.000 57.000 58.275 -1.275 18818 1217 1 3 . 1 1 16 16 SER CB C 16 65.600 65.600 64.617 0.983 18818 1218 1 3 . 1 1 16 16 SER H H 16 9.530 9.530 8.582 0.948 18818 1219 1 3 . 1 1 17 17 ASP N N 17 121.300 121.300 122.244 -0.944 18818 1220 1 3 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.428 0.122 18818 1221 1 3 . 1 1 17 17 ASP C C 17 179.700 179.700 178.704 0.996 18818 1222 1 3 . 1 1 17 17 ASP CA C 17 58.000 58.000 58.023 -0.023 18818 1223 1 3 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.728 -1.228 18818 1224 1 3 . 1 1 17 17 ASP H H 17 9.270 9.270 8.803 0.467 18818 1225 1 3 . 1 1 18 18 VAL N N 18 120.600 120.600 118.730 1.870 18818 1226 1 3 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.882 -0.202 18818 1227 1 3 . 1 1 18 18 VAL C C 18 176.900 176.900 176.872 0.028 18818 1228 1 3 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.750 1.750 18818 1229 1 3 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.925 -0.025 18818 1230 1 3 . 1 1 18 18 VAL H H 18 8.230 8.230 7.939 0.291 18818 1231 1 3 . 1 1 19 19 GLU N N 19 121.000 121.000 120.155 0.845 18818 1232 1 3 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.102 -0.362 18818 1233 1 3 . 1 1 19 19 GLU C C 19 178.600 178.600 178.869 -0.269 18818 1234 1 3 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.413 0.587 18818 1235 1 3 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.574 -0.874 18818 1236 1 3 . 1 1 19 19 GLU H H 19 8.180 8.180 7.818 0.362 18818 1237 1 3 . 1 1 20 20 ARG N N 20 118.100 118.100 118.071 0.029 18818 1238 1 3 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.441 -0.141 18818 1239 1 3 . 1 1 20 20 ARG C C 20 178.700 178.700 178.406 0.294 18818 1240 1 3 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.900 0.200 18818 1241 1 3 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.942 -0.242 18818 1242 1 3 . 1 1 20 20 ARG H H 20 8.920 8.920 8.864 0.056 18818 1243 1 3 . 1 1 21 21 ALA N N 21 123.800 123.800 123.771 0.029 18818 1244 1 3 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.166 0.254 18818 1245 1 3 . 1 1 21 21 ALA C C 21 179.300 179.300 179.583 -0.283 18818 1246 1 3 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.971 0.229 18818 1247 1 3 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.155 -0.255 18818 1248 1 3 . 1 1 21 21 ALA H H 21 8.060 8.060 7.719 0.341 18818 1249 1 3 . 1 1 22 22 ILE N N 22 118.200 118.200 118.680 -0.480 18818 1250 1 3 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.746 -0.026 18818 1251 1 3 . 1 1 22 22 ILE C C 22 177.500 177.500 178.381 -0.881 18818 1252 1 3 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.701 0.299 18818 1253 1 3 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.796 -0.396 18818 1254 1 3 . 1 1 22 22 ILE H H 22 8.010 8.010 7.696 0.314 18818 1255 1 3 . 1 1 23 23 GLU N N 23 120.100 120.100 119.781 0.319 18818 1256 1 3 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.102 -0.142 18818 1257 1 3 . 1 1 23 23 GLU C C 23 178.000 178.000 179.157 -1.157 18818 1258 1 3 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.107 0.193 18818 1259 1 3 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.479 0.021 18818 1260 1 3 . 1 1 23 23 GLU H H 23 8.450 8.450 7.904 0.546 18818 1261 1 3 . 1 1 24 24 THR N N 24 117.300 117.300 115.977 1.323 18818 1262 1 3 . 1 1 24 24 THR HA H 24 4.010 4.010 4.170 -0.160 18818 1263 1 3 . 1 1 24 24 THR C C 24 177.000 177.000 176.496 0.504 18818 1264 1 3 . 1 1 24 24 THR CA C 24 67.100 67.100 67.101 -0.001 18818 1265 1 3 . 1 1 24 24 THR CB C 24 68.200 68.200 68.824 -0.624 18818 1266 1 3 . 1 1 24 24 THR H H 24 8.720 8.720 8.407 0.313 18818 1267 1 3 . 1 1 25 25 LEU N N 25 123.400 123.400 118.203 5.197 18818 1268 1 3 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.577 -0.297 18818 1269 1 3 . 1 1 25 25 LEU C C 25 178.200 178.200 178.993 -0.793 18818 1270 1 3 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.733 1.567 18818 1271 1 3 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.858 -0.159 18818 1272 1 3 . 1 1 25 25 LEU H H 25 8.150 8.150 7.753 0.397 18818 1273 1 3 . 1 1 26 26 ILE N N 26 119.500 119.500 122.428 -2.928 18818 1274 1 3 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.766 0.234 18818 1275 1 3 . 1 1 26 26 ILE C C 26 177.900 177.900 178.309 -0.409 18818 1276 1 3 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.097 0.003 18818 1277 1 3 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.895 0.405 18818 1278 1 3 . 1 1 26 26 ILE H H 26 8.510 8.510 8.406 0.104 18818 1279 1 3 . 1 1 27 27 LYS N N 27 120.500 120.500 118.672 1.828 18818 1280 1 3 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.330 -0.180 18818 1281 1 3 . 1 1 27 27 LYS C C 27 179.600 179.600 178.809 0.791 18818 1282 1 3 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.850 1.250 18818 1283 1 3 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.534 0.466 18818 1284 1 3 . 1 1 27 27 LYS H H 27 9.000 9.000 8.821 0.179 18818 1285 1 3 . 1 1 28 28 ASN N N 28 117.300 117.300 117.734 -0.434 18818 1286 1 3 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.644 -0.084 18818 1287 1 3 . 1 1 28 28 ASN C C 28 176.000 176.000 176.974 -0.974 18818 1288 1 3 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.966 1.734 18818 1289 1 3 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.660 1.640 18818 1290 1 3 . 1 1 28 28 ASN H H 28 7.990 7.990 7.729 0.261 18818 1291 1 3 . 1 1 29 29 PHE N N 29 119.100 119.100 120.834 -1.734 18818 1292 1 3 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.496 0.414 18818 1293 1 3 . 1 1 29 29 PHE C C 29 176.200 176.200 176.613 -0.413 18818 1294 1 3 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.109 0.091 18818 1295 1 3 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.600 -0.000 18818 1296 1 3 . 1 1 29 29 PHE H H 29 7.990 7.990 7.920 0.070 18818 1297 1 3 . 1 1 30 30 HIS N N 30 114.700 114.700 115.349 -0.649 18818 1298 1 3 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.361 -0.041 18818 1299 1 3 . 1 1 30 30 HIS C C 30 177.400 177.400 176.890 0.510 18818 1300 1 3 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.686 -0.186 18818 1301 1 3 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.547 0.054 18818 1302 1 3 . 1 1 30 30 HIS H H 30 8.180 8.180 7.568 0.612 18818 1303 1 3 . 1 1 31 31 GLN N N 31 118.500 118.500 116.391 2.109 18818 1304 1 3 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.208 -0.128 18818 1305 1 3 . 1 1 31 31 GLN C C 31 176.600 176.600 176.355 0.245 18818 1306 1 3 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.068 0.732 18818 1307 1 3 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.996 -0.596 18818 1308 1 3 . 1 1 31 31 GLN H H 31 8.280 8.280 8.442 -0.162 18818 1309 1 3 . 1 1 32 32 TYR N N 32 115.700 115.700 118.626 -2.926 18818 1310 1 3 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.469 -0.259 18818 1311 1 3 . 1 1 32 32 TYR C C 32 174.800 174.800 176.738 -1.938 18818 1312 1 3 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.160 0.540 18818 1313 1 3 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.452 -1.752 18818 1314 1 3 . 1 1 32 32 TYR H H 32 7.410 7.410 7.838 -0.428 18818 1315 1 3 . 1 1 33 33 SER N N 33 114.000 114.000 117.509 -3.509 18818 1316 1 3 . 1 1 33 33 SER HA H 33 4.530 4.530 4.421 0.109 18818 1317 1 3 . 1 1 33 33 SER C C 33 175.000 175.000 175.158 -0.158 18818 1318 1 3 . 1 1 33 33 SER CA C 33 57.200 57.200 58.634 -1.434 18818 1319 1 3 . 1 1 33 33 SER CB C 33 63.200 63.200 61.381 1.819 18818 1320 1 3 . 1 1 33 33 SER H H 33 7.260 7.260 8.045 -0.785 18818 1321 1 3 . 1 1 34 34 VAL N N 34 126.600 126.600 116.585 10.015 18818 1322 1 3 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.199 -0.189 18818 1323 1 3 . 1 1 34 34 VAL C C 34 177.800 177.800 176.179 1.621 18818 1324 1 3 . 1 1 34 34 VAL CA C 34 64.400 64.400 62.562 1.838 18818 1325 1 3 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.590 0.510 18818 1326 1 3 . 1 1 34 34 VAL H H 34 8.490 8.490 8.153 0.337 18818 1327 1 3 . 1 1 35 35 GLU N N 35 122.100 122.100 121.993 0.107 18818 1328 1 3 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.385 -0.135 18818 1329 1 3 . 1 1 35 35 GLU C C 35 177.800 177.800 177.076 0.724 18818 1330 1 3 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.670 -0.171 18818 1331 1 3 . 1 1 35 35 GLU CB C 35 29.800 29.800 31.112 -1.312 18818 1332 1 3 . 1 1 35 35 GLU H H 35 8.980 8.980 9.032 -0.052 18818 1333 1 3 . 1 1 36 36 GLY N N 36 108.500 108.500 107.128 1.372 18818 1334 1 3 . 1 1 36 36 GLY C C 36 175.000 175.000 173.987 1.013 18818 1335 1 3 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.099 1.200 18818 1336 1 3 . 1 1 36 36 GLY H H 36 8.490 8.490 8.008 0.482 18818 1337 1 3 . 1 1 37 37 GLY N N 37 108.700 108.700 106.199 2.501 18818 1338 1 3 . 1 1 37 37 GLY C C 37 174.100 174.100 175.839 -1.739 18818 1339 1 3 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.213 1.587 18818 1340 1 3 . 1 1 37 37 GLY H H 37 8.140 8.140 7.890 0.250 18818 1341 1 3 . 1 1 38 38 LYS N N 38 118.000 118.000 121.422 -3.422 18818 1342 1 3 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.090 0.380 18818 1343 1 3 . 1 1 38 38 LYS C C 38 176.000 176.000 177.523 -1.523 18818 1344 1 3 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.734 -2.634 18818 1345 1 3 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.739 -0.039 18818 1346 1 3 . 1 1 38 38 LYS H H 38 8.050 8.050 8.735 -0.685 18818 1347 1 3 . 1 1 39 39 GLU N N 39 118.100 118.100 114.301 3.799 18818 1348 1 3 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.575 -0.015 18818 1349 1 3 . 1 1 39 39 GLU C C 39 175.600 175.600 175.603 -0.003 18818 1350 1 3 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.059 0.741 18818 1351 1 3 . 1 1 39 39 GLU CB C 39 30.200 30.200 28.750 1.450 18818 1352 1 3 . 1 1 39 39 GLU H H 39 8.630 8.630 8.340 0.290 18818 1353 1 3 . 1 1 40 40 THR N N 40 108.100 108.100 111.460 -3.360 18818 1354 1 3 . 1 1 40 40 THR HA H 40 5.160 5.160 4.923 0.237 18818 1355 1 3 . 1 1 40 40 THR C C 40 173.400 173.400 173.300 0.100 18818 1356 1 3 . 1 1 40 40 THR CA C 40 59.300 59.300 60.177 -0.877 18818 1357 1 3 . 1 1 40 40 THR CB C 40 72.100 72.100 71.615 0.485 18818 1358 1 3 . 1 1 40 40 THR H H 40 7.490 7.490 7.760 -0.270 18818 1359 1 3 . 1 1 41 41 LEU N N 41 120.700 120.700 120.429 0.271 18818 1360 1 3 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.651 0.389 18818 1361 1 3 . 1 1 41 41 LEU C C 41 177.000 177.000 176.754 0.246 18818 1362 1 3 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.264 0.036 18818 1363 1 3 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.355 -0.055 18818 1364 1 3 . 1 1 41 41 LEU H H 41 8.660 8.660 8.441 0.218 18818 1365 1 3 . 1 1 42 42 THR N N 42 113.500 113.500 110.841 2.659 18818 1366 1 3 . 1 1 42 42 THR HA H 42 5.000 5.000 4.857 0.143 18818 1367 1 3 . 1 1 42 42 THR C C 42 174.100 174.100 174.110 -0.010 18818 1368 1 3 . 1 1 42 42 THR CA C 42 59.800 59.800 58.983 0.817 18818 1369 1 3 . 1 1 42 42 THR CB C 42 68.100 68.100 69.123 -1.023 18818 1370 1 3 . 1 1 42 42 THR H H 42 9.130 9.130 8.856 0.274 18818 1371 1 3 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.318 -0.168 18818 1372 1 3 . 1 1 43 43 PRO C C 43 178.600 178.600 178.851 -0.251 18818 1373 1 3 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.524 0.676 18818 1374 1 3 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.568 0.132 18818 1375 1 3 . 1 1 44 44 SER N N 44 111.600 111.600 114.380 -2.780 18818 1376 1 3 . 1 1 44 44 SER HA H 44 4.170 4.170 4.148 0.022 18818 1377 1 3 . 1 1 44 44 SER C C 44 176.200 176.200 176.550 -0.350 18818 1378 1 3 . 1 1 44 44 SER CA C 44 61.500 61.500 61.763 -0.263 18818 1379 1 3 . 1 1 44 44 SER CB C 44 62.200 62.200 62.792 -0.592 18818 1380 1 3 . 1 1 44 44 SER H H 44 8.090 8.090 8.589 -0.499 18818 1381 1 3 . 1 1 45 45 GLU N N 45 123.900 123.900 120.931 2.969 18818 1382 1 3 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.253 0.007 18818 1383 1 3 . 1 1 45 45 GLU C C 45 179.000 179.000 178.273 0.727 18818 1384 1 3 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.206 0.894 18818 1385 1 3 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.448 0.253 18818 1386 1 3 . 1 1 45 45 GLU H H 45 7.700 7.700 7.846 -0.146 18818 1387 1 3 . 1 1 46 46 LEU N N 46 118.900 118.900 123.046 -4.146 18818 1388 1 3 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.943 0.137 18818 1389 1 3 . 1 1 46 46 LEU C C 46 177.600 177.600 178.603 -1.003 18818 1390 1 3 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.292 -0.992 18818 1391 1 3 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.896 -0.996 18818 1392 1 3 . 1 1 46 46 LEU H H 46 8.400 8.400 8.432 -0.032 18818 1393 1 3 . 1 1 47 47 ARG N N 47 119.300 119.300 118.643 0.657 18818 1394 1 3 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.885 -0.115 18818 1395 1 3 . 1 1 47 47 ARG C C 47 178.900 178.900 178.136 0.764 18818 1396 1 3 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.952 0.049 18818 1397 1 3 . 1 1 47 47 ARG CB C 47 29.000 29.000 30.081 -1.081 18818 1398 1 3 . 1 1 47 47 ARG H H 47 8.260 8.260 8.191 0.069 18818 1399 1 3 . 1 1 48 48 ASP N N 48 122.300 122.300 119.394 2.906 18818 1400 1 3 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.490 -0.060 18818 1401 1 3 . 1 1 48 48 ASP C C 48 176.700 176.700 178.533 -1.833 18818 1402 1 3 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.157 0.343 18818 1403 1 3 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.108 -1.708 18818 1404 1 3 . 1 1 48 48 ASP H H 48 8.160 8.160 7.835 0.325 18818 1405 1 3 . 1 1 49 49 LEU N N 49 122.600 122.600 117.192 5.408 18818 1406 1 3 . 1 1 49 49 LEU HA H 49 3.170 3.170 4.193 -1.023 18818 1407 1 3 . 1 1 49 49 LEU C C 49 179.100 179.100 178.011 1.089 18818 1408 1 3 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.187 1.813 18818 1409 1 3 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.581 -0.281 18818 1410 1 3 . 1 1 49 49 LEU H H 49 7.980 7.980 7.979 0.001 18818 1411 1 3 . 1 1 50 50 VAL N N 50 118.200 118.200 121.258 -3.058 18818 1412 1 3 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.566 -0.016 18818 1413 1 3 . 1 1 50 50 VAL C C 50 178.800 178.800 178.096 0.704 18818 1414 1 3 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.122 -0.722 18818 1415 1 3 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.633 -0.133 18818 1416 1 3 . 1 1 50 50 VAL H H 50 8.390 8.390 7.945 0.445 18818 1417 1 3 . 1 1 51 51 THR N N 51 115.000 115.000 112.990 2.010 18818 1418 1 3 . 1 1 51 51 THR HA H 51 3.990 3.990 4.025 -0.035 18818 1419 1 3 . 1 1 51 51 THR C C 51 176.000 176.000 175.633 0.367 18818 1420 1 3 . 1 1 51 51 THR CA C 51 65.800 65.800 64.987 0.813 18818 1421 1 3 . 1 1 51 51 THR CB C 51 68.900 68.900 68.667 0.233 18818 1422 1 3 . 1 1 51 51 THR H H 51 8.480 8.480 7.743 0.737 18818 1423 1 3 . 1 1 52 52 GLN N N 52 116.400 116.400 118.186 -1.786 18818 1424 1 3 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.364 -0.114 18818 1425 1 3 . 1 1 52 52 GLN C C 52 178.300 178.300 177.417 0.883 18818 1426 1 3 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.867 -0.067 18818 1427 1 3 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.474 -0.974 18818 1428 1 3 . 1 1 52 52 GLN H H 52 8.180 8.180 7.793 0.387 18818 1429 1 3 . 1 1 53 53 GLN N N 53 112.100 112.100 115.908 -3.808 18818 1430 1 3 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.499 0.351 18818 1431 1 3 . 1 1 53 53 GLN C C 53 176.900 176.900 176.628 0.272 18818 1432 1 3 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.374 -1.375 18818 1433 1 3 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.306 -1.906 18818 1434 1 3 . 1 1 53 53 GLN H H 53 8.490 8.490 8.186 0.304 18818 1435 1 3 . 1 1 54 54 LEU N N 54 119.800 119.800 120.839 -1.039 18818 1436 1 3 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.899 0.351 18818 1437 1 3 . 1 1 54 54 LEU C C 54 176.900 176.900 175.184 1.716 18818 1438 1 3 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.400 1.500 18818 1439 1 3 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.785 0.314 18818 1440 1 3 . 1 1 54 54 LEU H H 54 7.920 7.920 7.370 0.550 18818 1441 1 3 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.306 0.164 18818 1442 1 3 . 1 1 55 55 PRO C C 55 178.300 178.300 177.644 0.656 18818 1443 1 3 . 1 1 55 55 PRO CA C 55 65.300 65.300 65.006 0.294 18818 1444 1 3 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.649 -0.949 18818 1445 1 3 . 1 1 56 56 HIS N N 56 116.500 116.500 116.918 -0.418 18818 1446 1 3 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.514 0.076 18818 1447 1 3 . 1 1 56 56 HIS C C 56 176.300 176.300 176.356 -0.056 18818 1448 1 3 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.585 0.215 18818 1449 1 3 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.402 -1.102 18818 1450 1 3 . 1 1 56 56 HIS H H 56 9.770 9.770 8.082 1.688 18818 1451 1 3 . 1 1 57 57 LEU N N 57 116.600 116.600 119.314 -2.714 18818 1452 1 3 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.394 -0.064 18818 1453 1 3 . 1 1 57 57 LEU C C 57 176.400 176.400 176.124 0.276 18818 1454 1 3 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.185 -0.785 18818 1455 1 3 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.865 -0.365 18818 1456 1 3 . 1 1 57 57 LEU H H 57 7.830 7.830 7.943 -0.113 18818 1457 1 3 . 1 1 58 58 MET N N 58 118.000 118.000 116.796 1.204 18818 1458 1 3 . 1 1 58 58 MET HA H 58 4.540 4.540 4.844 -0.304 18818 1459 1 3 . 1 1 58 58 MET C C 58 171.600 171.600 173.038 -1.438 18818 1460 1 3 . 1 1 58 58 MET CA C 58 53.500 53.500 53.409 0.091 18818 1461 1 3 . 1 1 58 58 MET CB C 58 32.700 32.700 33.036 -0.336 18818 1462 1 3 . 1 1 58 58 MET H H 58 7.970 7.970 7.898 0.072 18818 1463 1 3 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.586 -0.136 18818 1464 1 3 . 1 1 59 59 PRO C C 59 177.400 177.400 178.320 -0.920 18818 1465 1 3 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.282 0.818 18818 1466 1 3 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.908 -1.008 18818 1467 1 3 . 1 1 60 60 SER N N 60 114.900 114.900 116.572 -1.672 18818 1468 1 3 . 1 1 60 60 SER HA H 60 4.340 4.340 4.033 0.307 18818 1469 1 3 . 1 1 60 60 SER C C 60 174.700 174.700 176.842 -2.142 18818 1470 1 3 . 1 1 60 60 SER CA C 60 59.100 59.100 61.981 -2.881 18818 1471 1 3 . 1 1 60 60 SER CB C 60 63.200 63.200 62.974 0.226 18818 1472 1 3 . 1 1 60 60 SER H H 60 8.360 8.360 8.785 -0.425 18818 1473 1 3 . 1 1 61 61 ASN N N 61 120.800 120.800 120.270 0.530 18818 1474 1 3 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.558 0.252 18818 1475 1 3 . 1 1 61 61 ASN C C 61 175.500 175.500 175.982 -0.482 18818 1476 1 3 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.934 -1.934 18818 1477 1 3 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.442 -0.542 18818 1478 1 3 . 1 1 61 61 ASN H H 61 7.990 7.990 8.602 -0.612 18818 1479 1 3 . 1 1 62 62 CYS N N 62 117.800 117.800 116.512 1.288 18818 1480 1 3 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.417 0.173 18818 1481 1 3 . 1 1 62 62 CYS C C 62 175.300 175.300 174.990 0.310 18818 1482 1 3 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.945 -0.745 18818 1483 1 3 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.442 -1.042 18818 1484 1 3 . 1 1 62 62 CYS H H 62 8.260 8.260 7.677 0.583 18818 1485 1 3 . 1 1 63 63 GLY N N 63 111.300 111.300 109.499 1.801 18818 1486 1 3 . 1 1 63 63 GLY C C 63 175.600 175.600 175.141 0.459 18818 1487 1 3 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.942 1.358 18818 1488 1 3 . 1 1 63 63 GLY H H 63 8.520 8.520 7.792 0.728 18818 1489 1 3 . 1 1 64 64 LEU N N 64 122.400 122.400 121.848 0.552 18818 1490 1 3 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.234 -0.184 18818 1491 1 3 . 1 1 64 64 LEU C C 64 177.900 177.900 177.976 -0.076 18818 1492 1 3 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.357 1.243 18818 1493 1 3 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.414 0.586 18818 1494 1 3 . 1 1 64 64 LEU H H 64 7.910 7.910 8.313 -0.403 18818 1495 1 3 . 1 1 65 65 GLU N N 65 117.900 117.900 117.638 0.262 18818 1496 1 3 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.950 -0.040 18818 1497 1 3 . 1 1 65 65 GLU C C 65 179.100 179.100 177.532 1.568 18818 1498 1 3 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.316 1.684 18818 1499 1 3 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.187 0.213 18818 1500 1 3 . 1 1 65 65 GLU H H 65 8.660 8.660 8.418 0.242 18818 1501 1 3 . 1 1 66 66 GLU N N 66 120.000 120.000 120.733 -0.733 18818 1502 1 3 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.001 0.119 18818 1503 1 3 . 1 1 66 66 GLU C C 66 178.200 178.200 178.200 0.000 18818 1504 1 3 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.172 -0.072 18818 1505 1 3 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.510 -0.410 18818 1506 1 3 . 1 1 66 66 GLU H H 66 8.220 8.220 7.830 0.390 18818 1507 1 3 . 1 1 67 67 LYS N N 67 119.300 119.300 117.088 2.212 18818 1508 1 3 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.125 0.015 18818 1509 1 3 . 1 1 67 67 LYS C C 67 179.400 179.400 178.902 0.498 18818 1510 1 3 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.721 1.179 18818 1511 1 3 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.902 0.198 18818 1512 1 3 . 1 1 67 67 LYS H H 67 7.780 7.780 7.601 0.179 18818 1513 1 3 . 1 1 68 68 ILE N N 68 118.400 118.400 119.581 -1.181 18818 1514 1 3 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.830 -0.110 18818 1515 1 3 . 1 1 68 68 ILE C C 68 177.800 177.800 177.052 0.748 18818 1516 1 3 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.887 0.613 18818 1517 1 3 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.938 -0.638 18818 1518 1 3 . 1 1 68 68 ILE H H 68 8.230 8.230 7.290 0.940 18818 1519 1 3 . 1 1 69 69 ALA N N 69 122.900 122.900 121.200 1.700 18818 1520 1 3 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.047 0.173 18818 1521 1 3 . 1 1 69 69 ALA C C 69 179.600 179.600 178.754 0.846 18818 1522 1 3 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.615 -0.215 18818 1523 1 3 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.867 -0.967 18818 1524 1 3 . 1 1 69 69 ALA H H 69 8.070 8.070 7.921 0.149 18818 1525 1 3 . 1 1 70 70 ASN N N 70 115.400 115.400 115.838 -0.438 18818 1526 1 3 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.582 0.288 18818 1527 1 3 . 1 1 70 70 ASN C C 70 176.500 176.500 177.347 -0.847 18818 1528 1 3 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.898 -0.598 18818 1529 1 3 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.667 0.033 18818 1530 1 3 . 1 1 70 70 ASN H H 70 7.880 7.880 8.343 -0.463 18818 1531 1 3 . 1 1 71 71 LEU N N 71 120.600 120.600 115.425 5.175 18818 1532 1 3 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.471 -0.141 18818 1533 1 3 . 1 1 71 71 LEU C C 71 178.300 178.300 177.946 0.354 18818 1534 1 3 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.067 1.233 18818 1535 1 3 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.754 0.546 18818 1536 1 3 . 1 1 71 71 LEU H H 71 7.820 7.820 7.489 0.331 18818 1537 1 3 . 1 1 72 72 GLY N N 72 106.800 106.800 109.011 -2.211 18818 1538 1 3 . 1 1 72 72 GLY C C 72 174.400 174.400 175.834 -1.434 18818 1539 1 3 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.958 0.742 18818 1540 1 3 . 1 1 72 72 GLY H H 72 8.240 8.240 8.021 0.219 18818 1541 1 3 . 1 1 73 73 SER N N 73 115.600 115.600 115.803 -0.203 18818 1542 1 3 . 1 1 73 73 SER HA H 73 4.570 4.570 4.215 0.355 18818 1543 1 3 . 1 1 73 73 SER C C 73 175.000 175.000 175.627 -0.627 18818 1544 1 3 . 1 1 73 73 SER CA C 73 58.900 58.900 59.798 -0.898 18818 1545 1 3 . 1 1 73 73 SER CB C 73 63.600 63.600 63.331 0.269 18818 1546 1 3 . 1 1 73 73 SER H H 73 8.220 8.220 8.855 -0.635 18818 1547 1 3 . 1 1 74 74 CYS N N 74 119.300 119.300 120.209 -0.909 18818 1548 1 3 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.564 0.086 18818 1549 1 3 . 1 1 74 74 CYS C C 74 174.500 174.500 174.472 0.028 18818 1550 1 3 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.927 0.773 18818 1551 1 3 . 1 1 74 74 CYS CB C 74 27.700 27.700 27.161 0.539 18818 1552 1 3 . 1 1 74 74 CYS H H 74 8.260 8.260 7.841 0.419 18818 1553 1 3 . 1 1 75 75 ASN N N 75 120.000 120.000 119.990 0.010 18818 1554 1 3 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.632 0.208 18818 1555 1 3 . 1 1 75 75 ASN C C 75 174.700 174.700 176.430 -1.730 18818 1556 1 3 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.321 -0.521 18818 1557 1 3 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.035 -1.135 18818 1558 1 3 . 1 1 75 75 ASN H H 75 8.430 8.430 7.615 0.815 18818 1559 1 3 . 1 1 76 76 ASP N N 76 119.200 119.200 125.194 -5.994 18818 1560 1 3 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.540 0.130 18818 1561 1 3 . 1 1 76 76 ASP C C 76 175.500 175.500 176.849 -1.349 18818 1562 1 3 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.939 -1.539 18818 1563 1 3 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.218 -0.618 18818 1564 1 3 . 1 1 76 76 ASP H H 76 8.300 8.300 8.848 -0.548 18818 1565 1 3 . 1 1 77 77 SER N N 77 112.800 112.800 113.580 -0.780 18818 1566 1 3 . 1 1 77 77 SER HA H 77 4.260 4.260 4.543 -0.283 18818 1567 1 3 . 1 1 77 77 SER C C 77 173.300 173.300 173.542 -0.242 18818 1568 1 3 . 1 1 77 77 SER CA C 77 59.000 59.000 58.164 0.836 18818 1569 1 3 . 1 1 77 77 SER CB C 77 63.100 63.100 63.862 -0.762 18818 1570 1 3 . 1 1 77 77 SER H H 77 8.220 8.220 8.216 0.004 18818 1571 1 3 . 1 1 78 78 LYS N N 78 120.600 120.600 119.003 1.597 18818 1572 1 3 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.844 0.716 18818 1573 1 3 . 1 1 78 78 LYS C C 78 175.300 175.300 175.705 -0.405 18818 1574 1 3 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.960 -2.360 18818 1575 1 3 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.508 1.792 18818 1576 1 3 . 1 1 78 78 LYS H H 78 7.930 7.930 7.520 0.410 18818 1577 1 3 . 1 1 79 79 LEU N N 79 123.700 123.700 120.899 2.801 18818 1578 1 3 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.403 0.377 18818 1579 1 3 . 1 1 79 79 LEU C C 79 176.100 176.100 177.197 -1.097 18818 1580 1 3 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.781 -0.581 18818 1581 1 3 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.778 -0.778 18818 1582 1 3 . 1 1 79 79 LEU H H 79 9.020 9.020 8.498 0.522 18818 1583 1 3 . 1 1 80 80 GLU N N 80 121.200 121.200 119.744 1.456 18818 1584 1 3 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.217 -0.317 18818 1585 1 3 . 1 1 80 80 GLU C C 80 177.100 177.100 177.244 -0.144 18818 1586 1 3 . 1 1 80 80 GLU CA C 80 55.200 55.200 53.990 1.210 18818 1587 1 3 . 1 1 80 80 GLU CB C 80 31.600 31.600 33.064 -1.464 18818 1588 1 3 . 1 1 80 80 GLU H H 80 8.630 8.630 8.271 0.359 18818 1589 1 3 . 1 1 81 81 PHE N N 81 123.500 123.500 122.370 1.130 18818 1590 1 3 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.966 0.564 18818 1591 1 3 . 1 1 81 81 PHE C C 81 177.000 177.000 176.838 0.162 18818 1592 1 3 . 1 1 81 81 PHE CA C 81 62.300 62.300 63.089 -0.789 18818 1593 1 3 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.393 -0.893 18818 1594 1 3 . 1 1 81 81 PHE H H 81 9.360 9.360 9.150 0.210 18818 1595 1 3 . 1 1 82 82 ARG N N 82 116.500 116.500 117.701 -1.201 18818 1596 1 3 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.129 -0.089 18818 1597 1 3 . 1 1 82 82 ARG C C 82 178.000 178.000 178.270 -0.270 18818 1598 1 3 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.491 -0.291 18818 1599 1 3 . 1 1 82 82 ARG CB C 82 29.200 29.200 30.000 -0.800 18818 1600 1 3 . 1 1 82 82 ARG H H 82 8.940 8.940 8.864 0.076 18818 1601 1 3 . 1 1 83 83 SER N N 83 115.700 115.700 115.683 0.017 18818 1602 1 3 . 1 1 83 83 SER HA H 83 4.510 4.510 4.277 0.233 18818 1603 1 3 . 1 1 83 83 SER C C 83 175.800 175.800 176.566 -0.766 18818 1604 1 3 . 1 1 83 83 SER CA C 83 61.700 61.700 61.388 0.312 18818 1605 1 3 . 1 1 83 83 SER CB C 83 62.700 62.700 62.731 -0.031 18818 1606 1 3 . 1 1 83 83 SER H H 83 7.610 7.610 7.679 -0.069 18818 1607 1 3 . 1 1 84 84 PHE N N 84 122.200 122.200 123.319 -1.119 18818 1608 1 3 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.220 0.000 18818 1609 1 3 . 1 1 84 84 PHE C C 84 175.000 175.000 177.216 -2.216 18818 1610 1 3 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.184 -1.184 18818 1611 1 3 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.163 0.037 18818 1612 1 3 . 1 1 84 84 PHE H H 84 7.490 7.490 7.906 -0.416 18818 1613 1 3 . 1 1 85 85 TRP N N 85 120.700 120.700 120.624 0.076 18818 1614 1 3 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.055 -0.295 18818 1615 1 3 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.553 -0.753 18818 1616 1 3 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.422 -0.221 18818 1617 1 3 . 1 1 85 85 TRP H H 85 8.770 8.770 8.270 0.500 18818 1618 1 3 . 1 1 86 86 GLU N N 86 119.100 119.100 117.306 1.794 18818 1619 1 3 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.999 0.081 18818 1620 1 3 . 1 1 86 86 GLU C C 86 179.100 179.100 178.724 0.376 18818 1621 1 3 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.936 0.364 18818 1622 1 3 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.233 0.267 18818 1623 1 3 . 1 1 86 86 GLU H H 86 8.150 8.150 8.096 0.054 18818 1624 1 3 . 1 1 87 87 LEU N N 87 120.800 120.800 119.844 0.956 18818 1625 1 3 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.089 -0.039 18818 1626 1 3 . 1 1 87 87 LEU C C 87 178.900 178.900 178.113 0.787 18818 1627 1 3 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.770 1.130 18818 1628 1 3 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.306 -1.006 18818 1629 1 3 . 1 1 87 87 LEU H H 87 7.600 7.600 7.513 0.087 18818 1630 1 3 . 1 1 88 88 ILE N N 88 115.200 115.200 120.242 -5.042 18818 1631 1 3 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.395 0.185 18818 1632 1 3 . 1 1 88 88 ILE C C 88 177.300 177.300 177.534 -0.234 18818 1633 1 3 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.442 -2.442 18818 1634 1 3 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.967 -1.367 18818 1635 1 3 . 1 1 88 88 ILE H H 88 7.960 7.960 7.229 0.731 18818 1636 1 3 . 1 1 89 89 GLY N N 89 108.100 108.100 106.688 1.412 18818 1637 1 3 . 1 1 89 89 GLY C C 89 175.700 175.700 174.450 1.250 18818 1638 1 3 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.714 -1.313 18818 1639 1 3 . 1 1 89 89 GLY H H 89 7.620 7.620 7.579 0.041 18818 1640 1 3 . 1 1 90 90 GLU N N 90 120.000 120.000 119.774 0.226 18818 1641 1 3 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.229 -0.269 18818 1642 1 3 . 1 1 90 90 GLU C C 90 179.100 179.100 178.812 0.288 18818 1643 1 3 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.349 0.852 18818 1644 1 3 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.800 -1.000 18818 1645 1 3 . 1 1 90 90 GLU H H 90 7.410 7.410 7.513 -0.103 18818 1646 1 3 . 1 1 91 91 ALA N N 91 122.400 122.400 123.438 -1.038 18818 1647 1 3 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.992 0.028 18818 1648 1 3 . 1 1 91 91 ALA C C 91 178.700 178.700 178.714 -0.014 18818 1649 1 3 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.753 -0.753 18818 1650 1 3 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.373 -0.373 18818 1651 1 3 . 1 1 91 91 ALA H H 91 7.610 7.610 8.077 -0.467 18818 1652 1 3 . 1 1 92 92 ALA N N 92 118.000 118.000 117.628 0.372 18818 1653 1 3 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.378 -0.708 18818 1654 1 3 . 1 1 92 92 ALA C C 92 177.900 177.900 178.340 -0.440 18818 1655 1 3 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.234 0.666 18818 1656 1 3 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.448 -0.548 18818 1657 1 3 . 1 1 92 92 ALA H H 92 7.740 7.740 7.966 -0.226 18818 1658 1 3 . 1 1 93 93 LYS N N 93 114.600 114.600 117.424 -2.824 18818 1659 1 3 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.297 -0.527 18818 1660 1 3 . 1 1 93 93 LYS C C 93 177.000 177.000 177.422 -0.422 18818 1661 1 3 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.352 0.148 18818 1662 1 3 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.957 -1.157 18818 1663 1 3 . 1 1 93 93 LYS H H 93 7.200 7.200 7.538 -0.338 18818 1664 1 3 . 1 1 94 94 SER N N 94 113.000 113.000 113.991 -0.991 18818 1665 1 3 . 1 1 94 94 SER HA H 94 4.450 4.450 4.407 0.043 18818 1666 1 3 . 1 1 94 94 SER C C 94 174.500 174.500 174.664 -0.164 18818 1667 1 3 . 1 1 94 94 SER CA C 94 58.800 58.800 59.694 -0.894 18818 1668 1 3 . 1 1 94 94 SER CB C 94 63.900 63.900 64.617 -0.717 18818 1669 1 3 . 1 1 94 94 SER H H 94 7.530 7.530 7.820 -0.290 18818 1670 1 3 . 1 1 95 95 VAL N N 95 122.100 122.100 119.789 2.311 18818 1671 1 3 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.195 -0.255 18818 1672 1 3 . 1 1 95 95 VAL C C 95 175.400 175.400 173.278 2.122 18818 1673 1 3 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.039 1.161 18818 1674 1 3 . 1 1 95 95 VAL CB C 95 31.500 31.500 34.555 -3.055 18818 1675 1 3 . 1 1 95 95 VAL H H 95 7.440 7.440 7.447 -0.007 18818 1676 1 3 . 1 1 96 96 LYS N N 96 126.300 126.300 125.281 1.019 18818 1677 1 3 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.604 -0.204 18818 1678 1 3 . 1 1 96 96 LYS C C 96 176.000 176.000 175.041 0.959 18818 1679 1 3 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.871 0.629 18818 1680 1 3 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.616 -2.116 18818 1681 1 3 . 1 1 96 96 LYS H H 96 8.470 8.470 8.300 0.170 18818 1682 1 3 . 1 1 97 97 LEU N N 97 123.400 123.400 124.303 -0.903 18818 1683 1 3 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.291 0.119 18818 1684 1 3 . 1 1 97 97 LEU C C 97 176.700 176.700 176.618 0.082 18818 1685 1 3 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.410 -1.010 18818 1686 1 3 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.007 0.293 18818 1687 1 3 . 1 1 97 97 LEU H H 97 8.140 8.140 8.330 -0.190 18818 1688 1 3 . 1 1 98 98 GLU N N 98 121.400 121.400 123.905 -2.505 18818 1689 1 3 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.287 0.053 18818 1690 1 3 . 1 1 98 98 GLU C C 98 175.900 175.900 175.776 0.124 18818 1691 1 3 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.898 -0.698 18818 1692 1 3 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.143 -0.043 18818 1693 1 3 . 1 1 98 98 GLU H H 98 8.320 8.320 8.505 -0.185 18818 1694 1 3 . 1 1 99 99 ARG N N 99 122.800 122.800 124.873 -2.073 18818 1695 1 3 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.649 0.161 18818 1696 1 3 . 1 1 99 99 ARG C C 99 173.900 173.900 174.723 -0.823 18818 1697 1 3 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.399 0.201 18818 1698 1 3 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.486 -0.586 18818 1699 1 3 . 1 1 99 99 ARG H H 99 8.280 8.280 8.512 -0.232 18818 1700 1 3 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.400 0.120 18818 1701 1 3 . 1 1 100 100 PRO C C 100 176.700 176.700 176.149 0.551 18818 1702 1 3 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.004 -0.204 18818 1703 1 3 . 1 1 100 100 PRO CB C 100 31.700 31.700 30.498 1.202 18818 1704 1 3 . 1 1 101 101 VAL N N 101 120.500 120.500 121.032 -0.532 18818 1705 1 3 . 1 1 101 101 VAL HA H 101 4.130 4.130 3.950 0.180 18818 1706 1 3 . 1 1 101 101 VAL C C 101 176.000 176.000 176.566 -0.566 18818 1707 1 3 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.086 0.014 18818 1708 1 3 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.067 -0.867 18818 1709 1 3 . 1 1 101 101 VAL H H 101 8.230 8.230 7.647 0.583 18818 1710 1 3 . 1 1 102 102 ARG N N 102 124.600 124.600 130.422 -5.822 18818 1711 1 3 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.256 0.164 18818 1712 1 3 . 1 1 102 102 ARG C C 102 176.400 176.400 176.306 0.094 18818 1713 1 3 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.120 -0.220 18818 1714 1 3 . 1 1 102 102 ARG CB C 102 30.700 30.700 28.846 1.854 18818 1715 1 3 . 1 1 102 102 ARG H H 102 8.390 8.390 8.895 -0.505 18818 1716 1 3 . 1 1 103 103 GLY N N 103 110.400 110.400 110.507 -0.107 18818 1717 1 3 . 1 1 103 103 GLY C C 103 172.900 172.900 174.025 -1.125 18818 1718 1 3 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.193 -0.193 18818 1719 1 3 . 1 1 103 103 GLY H H 103 8.400 8.400 8.395 0.005 18818 1720 1 4 . 1 1 5 5 ARG N N 5 124.100 124.100 127.079 -2.979 18818 1721 1 4 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.469 -0.419 18818 1722 1 4 . 1 1 5 5 ARG C C 5 173.800 173.800 174.844 -1.044 18818 1723 1 4 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.092 -0.091 18818 1724 1 4 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.334 -0.633 18818 1725 1 4 . 1 1 5 5 ARG H H 5 8.570 8.570 8.644 -0.074 18818 1726 1 4 . 1 1 6 6 SER N N 6 117.500 117.500 115.052 2.448 18818 1727 1 4 . 1 1 6 6 SER HA H 6 4.510 4.510 4.623 -0.113 18818 1728 1 4 . 1 1 6 6 SER C C 6 174.100 174.100 175.189 -1.089 18818 1729 1 4 . 1 1 6 6 SER CA C 6 58.000 58.000 57.332 0.668 18818 1730 1 4 . 1 1 6 6 SER CB C 6 63.700 63.700 63.688 0.013 18818 1731 1 4 . 1 1 6 6 SER H H 6 8.370 8.370 8.599 -0.229 18818 1732 1 4 . 1 1 7 7 ALA N N 7 125.900 125.900 131.789 -5.889 18818 1733 1 4 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.425 -0.025 18818 1734 1 4 . 1 1 7 7 ALA C C 7 177.200 177.200 177.886 -0.686 18818 1735 1 4 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.920 0.680 18818 1736 1 4 . 1 1 7 7 ALA CB C 7 19.000 19.000 17.975 1.025 18818 1737 1 4 . 1 1 7 7 ALA H H 7 8.410 8.410 8.977 -0.567 18818 1738 1 4 . 1 1 8 8 ASN N N 8 117.400 117.400 119.115 -1.715 18818 1739 1 4 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.573 0.197 18818 1740 1 4 . 1 1 8 8 ASN C C 8 174.900 174.900 175.195 -0.295 18818 1741 1 4 . 1 1 8 8 ASN CA C 8 52.900 52.900 54.830 -1.930 18818 1742 1 4 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.942 -0.142 18818 1743 1 4 . 1 1 8 8 ASN H H 8 8.360 8.360 7.958 0.402 18818 1744 1 4 . 1 1 9 9 ALA N N 9 124.400 124.400 121.794 2.606 18818 1745 1 4 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.589 -0.239 18818 1746 1 4 . 1 1 9 9 ALA C C 9 177.800 177.800 176.835 0.965 18818 1747 1 4 . 1 1 9 9 ALA CA C 9 52.700 52.700 51.980 0.720 18818 1748 1 4 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.616 -0.717 18818 1749 1 4 . 1 1 9 9 ALA H H 9 8.270 8.270 8.288 -0.018 18818 1750 1 4 . 1 1 10 10 GLU N N 10 119.300 119.300 119.663 -0.363 18818 1751 1 4 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.237 0.073 18818 1752 1 4 . 1 1 10 10 GLU C C 10 176.400 176.400 176.847 -0.447 18818 1753 1 4 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.013 -1.113 18818 1754 1 4 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.106 -0.506 18818 1755 1 4 . 1 1 10 10 GLU H H 10 8.470 8.470 8.494 -0.024 18818 1756 1 4 . 1 1 11 11 ASP N N 11 120.600 120.600 120.837 -0.237 18818 1757 1 4 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.420 0.190 18818 1758 1 4 . 1 1 11 11 ASP C C 11 176.100 176.100 175.889 0.211 18818 1759 1 4 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.542 -0.242 18818 1760 1 4 . 1 1 11 11 ASP CB C 11 40.800 40.800 40.904 -0.104 18818 1761 1 4 . 1 1 11 11 ASP H H 11 8.200 8.200 8.220 -0.020 18818 1762 1 4 . 1 1 12 12 ALA N N 12 123.800 123.800 120.327 3.473 18818 1763 1 4 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.240 0.850 18818 1764 1 4 . 1 1 12 12 ALA C C 12 177.800 177.800 176.467 1.333 18818 1765 1 4 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.046 -0.546 18818 1766 1 4 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.155 1.645 18818 1767 1 4 . 1 1 12 12 ALA H H 12 8.070 8.070 8.277 -0.207 18818 1768 1 4 . 1 1 13 13 GLN N N 13 118.500 118.500 115.938 2.562 18818 1769 1 4 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.357 -0.087 18818 1770 1 4 . 1 1 13 13 GLN C C 13 175.700 175.700 177.160 -1.460 18818 1771 1 4 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.976 -0.076 18818 1772 1 4 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.146 -1.046 18818 1773 1 4 . 1 1 13 13 GLN H H 13 8.230 8.230 8.167 0.063 18818 1774 1 4 . 1 1 14 14 GLU N N 14 120.600 120.600 119.570 1.030 18818 1775 1 4 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.270 0.030 18818 1776 1 4 . 1 1 14 14 GLU C C 14 175.800 175.800 176.880 -1.080 18818 1777 1 4 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.104 -1.304 18818 1778 1 4 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.084 -0.184 18818 1779 1 4 . 1 1 14 14 GLU H H 14 8.100 8.100 8.516 -0.416 18818 1780 1 4 . 1 1 15 15 PHE N N 15 121.100 121.100 118.625 2.475 18818 1781 1 4 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.524 0.356 18818 1782 1 4 . 1 1 15 15 PHE C C 15 176.900 176.900 176.891 0.009 18818 1783 1 4 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.933 -0.633 18818 1784 1 4 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.204 0.096 18818 1785 1 4 . 1 1 15 15 PHE H H 15 8.030 8.030 7.531 0.499 18818 1786 1 4 . 1 1 16 16 SER N N 16 119.400 119.400 116.897 2.503 18818 1787 1 4 . 1 1 16 16 SER HA H 16 4.850 4.850 4.355 0.495 18818 1788 1 4 . 1 1 16 16 SER C C 16 174.800 174.800 175.321 -0.521 18818 1789 1 4 . 1 1 16 16 SER CA C 16 57.000 57.000 59.431 -2.431 18818 1790 1 4 . 1 1 16 16 SER CB C 16 65.600 65.600 63.989 1.611 18818 1791 1 4 . 1 1 16 16 SER H H 16 9.530 9.530 9.224 0.306 18818 1792 1 4 . 1 1 17 17 ASP N N 17 121.300 121.300 123.149 -1.849 18818 1793 1 4 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.422 0.128 18818 1794 1 4 . 1 1 17 17 ASP C C 17 179.700 179.700 178.652 1.048 18818 1795 1 4 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.718 0.282 18818 1796 1 4 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.703 -1.203 18818 1797 1 4 . 1 1 17 17 ASP H H 17 9.270 9.270 8.966 0.304 18818 1798 1 4 . 1 1 18 18 VAL N N 18 120.600 120.600 119.667 0.933 18818 1799 1 4 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.987 -0.307 18818 1800 1 4 . 1 1 18 18 VAL C C 18 176.900 176.900 176.844 0.056 18818 1801 1 4 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.371 2.129 18818 1802 1 4 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.068 -0.168 18818 1803 1 4 . 1 1 18 18 VAL H H 18 8.230 8.230 7.970 0.260 18818 1804 1 4 . 1 1 19 19 GLU N N 19 121.000 121.000 120.826 0.174 18818 1805 1 4 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.181 -0.441 18818 1806 1 4 . 1 1 19 19 GLU C C 19 178.600 178.600 178.883 -0.283 18818 1807 1 4 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.489 0.512 18818 1808 1 4 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.741 -1.041 18818 1809 1 4 . 1 1 19 19 GLU H H 19 8.180 8.180 8.027 0.153 18818 1810 1 4 . 1 1 20 20 ARG N N 20 118.100 118.100 118.639 -0.539 18818 1811 1 4 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.411 -0.111 18818 1812 1 4 . 1 1 20 20 ARG C C 20 178.700 178.700 178.126 0.574 18818 1813 1 4 . 1 1 20 20 ARG CA C 20 59.100 59.100 57.894 1.206 18818 1814 1 4 . 1 1 20 20 ARG CB C 20 29.700 29.700 28.741 0.959 18818 1815 1 4 . 1 1 20 20 ARG H H 20 8.920 8.920 8.612 0.308 18818 1816 1 4 . 1 1 21 21 ALA N N 21 123.800 123.800 123.854 -0.054 18818 1817 1 4 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.202 0.218 18818 1818 1 4 . 1 1 21 21 ALA C C 21 179.300 179.300 179.550 -0.250 18818 1819 1 4 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.831 0.369 18818 1820 1 4 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.096 -0.196 18818 1821 1 4 . 1 1 21 21 ALA H H 21 8.060 8.060 7.775 0.285 18818 1822 1 4 . 1 1 22 22 ILE N N 22 118.200 118.200 118.205 -0.005 18818 1823 1 4 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.727 -0.007 18818 1824 1 4 . 1 1 22 22 ILE C C 22 177.500 177.500 178.315 -0.815 18818 1825 1 4 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.456 0.545 18818 1826 1 4 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.764 -0.364 18818 1827 1 4 . 1 1 22 22 ILE H H 22 8.010 8.010 7.768 0.242 18818 1828 1 4 . 1 1 23 23 GLU N N 23 120.100 120.100 119.013 1.087 18818 1829 1 4 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.091 -0.131 18818 1830 1 4 . 1 1 23 23 GLU C C 23 178.000 178.000 179.271 -1.271 18818 1831 1 4 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.776 0.523 18818 1832 1 4 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.149 0.351 18818 1833 1 4 . 1 1 23 23 GLU H H 23 8.450 8.450 7.962 0.488 18818 1834 1 4 . 1 1 24 24 THR N N 24 117.300 117.300 116.617 0.683 18818 1835 1 4 . 1 1 24 24 THR HA H 24 4.010 4.010 4.132 -0.122 18818 1836 1 4 . 1 1 24 24 THR C C 24 177.000 177.000 176.956 0.044 18818 1837 1 4 . 1 1 24 24 THR CA C 24 67.100 67.100 66.504 0.596 18818 1838 1 4 . 1 1 24 24 THR CB C 24 68.200 68.200 68.787 -0.587 18818 1839 1 4 . 1 1 24 24 THR H H 24 8.720 8.720 8.079 0.641 18818 1840 1 4 . 1 1 25 25 LEU N N 25 123.400 123.400 119.550 3.850 18818 1841 1 4 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.621 -0.341 18818 1842 1 4 . 1 1 25 25 LEU C C 25 178.200 178.200 178.471 -0.271 18818 1843 1 4 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.816 1.484 18818 1844 1 4 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.796 -0.096 18818 1845 1 4 . 1 1 25 25 LEU H H 25 8.150 8.150 7.537 0.613 18818 1846 1 4 . 1 1 26 26 ILE N N 26 119.500 119.500 121.717 -2.217 18818 1847 1 4 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.941 0.059 18818 1848 1 4 . 1 1 26 26 ILE C C 26 177.900 177.900 178.578 -0.678 18818 1849 1 4 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.304 -0.204 18818 1850 1 4 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.259 0.041 18818 1851 1 4 . 1 1 26 26 ILE H H 26 8.510 8.510 8.274 0.236 18818 1852 1 4 . 1 1 27 27 LYS N N 27 120.500 120.500 118.175 2.325 18818 1853 1 4 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.693 0.457 18818 1854 1 4 . 1 1 27 27 LYS C C 27 179.600 179.600 178.993 0.607 18818 1855 1 4 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.355 1.745 18818 1856 1 4 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.193 0.807 18818 1857 1 4 . 1 1 27 27 LYS H H 27 9.000 9.000 8.521 0.479 18818 1858 1 4 . 1 1 28 28 ASN N N 28 117.300 117.300 118.484 -1.184 18818 1859 1 4 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.696 -0.136 18818 1860 1 4 . 1 1 28 28 ASN C C 28 176.000 176.000 177.363 -1.363 18818 1861 1 4 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.589 1.111 18818 1862 1 4 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.801 1.499 18818 1863 1 4 . 1 1 28 28 ASN H H 28 7.990 7.990 7.751 0.239 18818 1864 1 4 . 1 1 29 29 PHE N N 29 119.100 119.100 120.364 -1.264 18818 1865 1 4 . 1 1 29 29 PHE HA H 29 3.910 3.910 4.016 -0.106 18818 1866 1 4 . 1 1 29 29 PHE C C 29 176.200 176.200 177.000 -0.800 18818 1867 1 4 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.692 -0.492 18818 1868 1 4 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.904 -0.304 18818 1869 1 4 . 1 1 29 29 PHE H H 29 7.990 7.990 8.033 -0.043 18818 1870 1 4 . 1 1 30 30 HIS N N 30 114.700 114.700 118.642 -3.942 18818 1871 1 4 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.313 0.007 18818 1872 1 4 . 1 1 30 30 HIS C C 30 177.400 177.400 177.721 -0.321 18818 1873 1 4 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.988 -0.488 18818 1874 1 4 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.924 -0.324 18818 1875 1 4 . 1 1 30 30 HIS H H 30 8.180 8.180 7.699 0.481 18818 1876 1 4 . 1 1 31 31 GLN N N 31 118.500 118.500 117.896 0.604 18818 1877 1 4 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.134 -0.054 18818 1878 1 4 . 1 1 31 31 GLN C C 31 176.600 176.600 177.825 -1.225 18818 1879 1 4 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.782 0.018 18818 1880 1 4 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.381 0.019 18818 1881 1 4 . 1 1 31 31 GLN H H 31 8.280 8.280 8.402 -0.122 18818 1882 1 4 . 1 1 32 32 TYR N N 32 115.700 115.700 117.946 -2.246 18818 1883 1 4 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.485 -0.275 18818 1884 1 4 . 1 1 32 32 TYR C C 32 174.800 174.800 176.596 -1.796 18818 1885 1 4 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.328 0.372 18818 1886 1 4 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.257 -0.556 18818 1887 1 4 . 1 1 32 32 TYR H H 32 7.410 7.410 8.324 -0.914 18818 1888 1 4 . 1 1 33 33 SER N N 33 114.000 114.000 117.225 -3.225 18818 1889 1 4 . 1 1 33 33 SER HA H 33 4.530 4.530 4.460 0.070 18818 1890 1 4 . 1 1 33 33 SER C C 33 175.000 175.000 175.097 -0.097 18818 1891 1 4 . 1 1 33 33 SER CA C 33 57.200 57.200 59.056 -1.856 18818 1892 1 4 . 1 1 33 33 SER CB C 33 63.200 63.200 61.370 1.830 18818 1893 1 4 . 1 1 33 33 SER H H 33 7.260 7.260 7.993 -0.733 18818 1894 1 4 . 1 1 34 34 VAL N N 34 126.600 126.600 116.739 9.861 18818 1895 1 4 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.270 -0.260 18818 1896 1 4 . 1 1 34 34 VAL C C 34 177.800 177.800 176.746 1.054 18818 1897 1 4 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.313 1.087 18818 1898 1 4 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.423 0.677 18818 1899 1 4 . 1 1 34 34 VAL H H 34 8.490 8.490 8.195 0.295 18818 1900 1 4 . 1 1 35 35 GLU N N 35 122.100 122.100 121.614 0.486 18818 1901 1 4 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.488 -0.238 18818 1902 1 4 . 1 1 35 35 GLU C C 35 177.800 177.800 177.201 0.599 18818 1903 1 4 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.601 0.899 18818 1904 1 4 . 1 1 35 35 GLU CB C 35 29.800 29.800 31.210 -1.410 18818 1905 1 4 . 1 1 35 35 GLU H H 35 8.980 8.980 8.728 0.252 18818 1906 1 4 . 1 1 36 36 GLY N N 36 108.500 108.500 106.802 1.698 18818 1907 1 4 . 1 1 36 36 GLY C C 36 175.000 175.000 173.485 1.515 18818 1908 1 4 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.197 0.103 18818 1909 1 4 . 1 1 36 36 GLY H H 36 8.490 8.490 7.865 0.625 18818 1910 1 4 . 1 1 37 37 GLY N N 37 108.700 108.700 107.005 1.695 18818 1911 1 4 . 1 1 37 37 GLY C C 37 174.100 174.100 174.180 -0.080 18818 1912 1 4 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.269 1.532 18818 1913 1 4 . 1 1 37 37 GLY H H 37 8.140 8.140 7.549 0.591 18818 1914 1 4 . 1 1 38 38 LYS N N 38 118.000 118.000 117.154 0.846 18818 1915 1 4 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.794 0.676 18818 1916 1 4 . 1 1 38 38 LYS C C 38 176.000 176.000 175.694 0.306 18818 1917 1 4 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.471 -1.371 18818 1918 1 4 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.642 2.058 18818 1919 1 4 . 1 1 38 38 LYS H H 38 8.050 8.050 8.075 -0.025 18818 1920 1 4 . 1 1 39 39 GLU N N 39 118.100 118.100 116.159 1.941 18818 1921 1 4 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.356 0.204 18818 1922 1 4 . 1 1 39 39 GLU C C 39 175.600 175.600 175.238 0.362 18818 1923 1 4 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.596 0.204 18818 1924 1 4 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.988 -0.788 18818 1925 1 4 . 1 1 39 39 GLU H H 39 8.630 8.630 8.377 0.253 18818 1926 1 4 . 1 1 40 40 THR N N 40 108.100 108.100 108.857 -0.757 18818 1927 1 4 . 1 1 40 40 THR HA H 40 5.160 5.160 5.215 -0.055 18818 1928 1 4 . 1 1 40 40 THR C C 40 173.400 173.400 173.034 0.366 18818 1929 1 4 . 1 1 40 40 THR CA C 40 59.300 59.300 59.587 -0.287 18818 1930 1 4 . 1 1 40 40 THR CB C 40 72.100 72.100 72.319 -0.219 18818 1931 1 4 . 1 1 40 40 THR H H 40 7.490 7.490 7.465 0.025 18818 1932 1 4 . 1 1 41 41 LEU N N 41 120.700 120.700 119.558 1.142 18818 1933 1 4 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.587 0.453 18818 1934 1 4 . 1 1 41 41 LEU C C 41 177.000 177.000 176.162 0.838 18818 1935 1 4 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.895 -0.595 18818 1936 1 4 . 1 1 41 41 LEU CB C 41 45.300 45.300 43.846 1.454 18818 1937 1 4 . 1 1 41 41 LEU H H 41 8.660 8.660 8.551 0.109 18818 1938 1 4 . 1 1 42 42 THR N N 42 113.500 113.500 108.001 5.499 18818 1939 1 4 . 1 1 42 42 THR HA H 42 5.000 5.000 4.923 0.077 18818 1940 1 4 . 1 1 42 42 THR C C 42 174.100 174.100 173.611 0.489 18818 1941 1 4 . 1 1 42 42 THR CA C 42 59.800 59.800 58.278 1.522 18818 1942 1 4 . 1 1 42 42 THR CB C 42 68.100 68.100 70.951 -2.850 18818 1943 1 4 . 1 1 42 42 THR H H 42 9.130 9.130 8.273 0.857 18818 1944 1 4 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.260 -0.110 18818 1945 1 4 . 1 1 43 43 PRO C C 43 178.600 178.600 178.399 0.201 18818 1946 1 4 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.840 0.360 18818 1947 1 4 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.761 -0.061 18818 1948 1 4 . 1 1 44 44 SER N N 44 111.600 111.600 113.772 -2.172 18818 1949 1 4 . 1 1 44 44 SER HA H 44 4.170 4.170 4.200 -0.030 18818 1950 1 4 . 1 1 44 44 SER C C 44 176.200 176.200 176.402 -0.202 18818 1951 1 4 . 1 1 44 44 SER CA C 44 61.500 61.500 62.444 -0.944 18818 1952 1 4 . 1 1 44 44 SER CB C 44 62.200 62.200 63.056 -0.856 18818 1953 1 4 . 1 1 44 44 SER H H 44 8.090 8.090 7.995 0.095 18818 1954 1 4 . 1 1 45 45 GLU N N 45 123.900 123.900 121.480 2.420 18818 1955 1 4 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.223 0.037 18818 1956 1 4 . 1 1 45 45 GLU C C 45 179.000 179.000 177.899 1.101 18818 1957 1 4 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.115 0.985 18818 1958 1 4 . 1 1 45 45 GLU CB C 45 29.700 29.700 28.867 0.833 18818 1959 1 4 . 1 1 45 45 GLU H H 45 7.700 7.700 7.969 -0.269 18818 1960 1 4 . 1 1 46 46 LEU N N 46 118.900 118.900 122.375 -3.475 18818 1961 1 4 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.975 0.105 18818 1962 1 4 . 1 1 46 46 LEU C C 46 177.600 177.600 178.954 -1.354 18818 1963 1 4 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.199 -0.899 18818 1964 1 4 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.918 -1.018 18818 1965 1 4 . 1 1 46 46 LEU H H 46 8.400 8.400 7.987 0.413 18818 1966 1 4 . 1 1 47 47 ARG N N 47 119.300 119.300 117.861 1.439 18818 1967 1 4 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.948 -0.178 18818 1968 1 4 . 1 1 47 47 ARG C C 47 178.900 178.900 178.553 0.347 18818 1969 1 4 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.822 0.178 18818 1970 1 4 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.982 -0.982 18818 1971 1 4 . 1 1 47 47 ARG H H 47 8.260 8.260 8.151 0.109 18818 1972 1 4 . 1 1 48 48 ASP N N 48 122.300 122.300 119.696 2.604 18818 1973 1 4 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.560 -0.130 18818 1974 1 4 . 1 1 48 48 ASP C C 48 176.700 176.700 178.557 -1.857 18818 1975 1 4 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.997 0.503 18818 1976 1 4 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.258 -1.857 18818 1977 1 4 . 1 1 48 48 ASP H H 48 8.160 8.160 7.798 0.362 18818 1978 1 4 . 1 1 49 49 LEU N N 49 122.600 122.600 118.456 4.144 18818 1979 1 4 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.837 -0.667 18818 1980 1 4 . 1 1 49 49 LEU C C 49 179.100 179.100 177.910 1.190 18818 1981 1 4 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.609 1.391 18818 1982 1 4 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.461 -0.161 18818 1983 1 4 . 1 1 49 49 LEU H H 49 7.980 7.980 8.118 -0.138 18818 1984 1 4 . 1 1 50 50 VAL N N 50 118.200 118.200 120.772 -2.572 18818 1985 1 4 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.522 0.028 18818 1986 1 4 . 1 1 50 50 VAL C C 50 178.800 178.800 178.230 0.570 18818 1987 1 4 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.820 -0.420 18818 1988 1 4 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.486 0.014 18818 1989 1 4 . 1 1 50 50 VAL H H 50 8.390 8.390 7.628 0.762 18818 1990 1 4 . 1 1 51 51 THR N N 51 115.000 115.000 113.249 1.751 18818 1991 1 4 . 1 1 51 51 THR HA H 51 3.990 3.990 4.032 -0.042 18818 1992 1 4 . 1 1 51 51 THR C C 51 176.000 176.000 175.806 0.194 18818 1993 1 4 . 1 1 51 51 THR CA C 51 65.800 65.800 65.650 0.150 18818 1994 1 4 . 1 1 51 51 THR CB C 51 68.900 68.900 68.988 -0.088 18818 1995 1 4 . 1 1 51 51 THR H H 51 8.480 8.480 7.671 0.809 18818 1996 1 4 . 1 1 52 52 GLN N N 52 116.400 116.400 117.791 -1.391 18818 1997 1 4 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.409 -0.159 18818 1998 1 4 . 1 1 52 52 GLN C C 52 178.300 178.300 177.260 1.040 18818 1999 1 4 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.554 0.246 18818 2000 1 4 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.608 -1.108 18818 2001 1 4 . 1 1 52 52 GLN H H 52 8.180 8.180 7.952 0.228 18818 2002 1 4 . 1 1 53 53 GLN N N 53 112.100 112.100 115.612 -3.512 18818 2003 1 4 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.549 0.301 18818 2004 1 4 . 1 1 53 53 GLN C C 53 176.900 176.900 176.491 0.409 18818 2005 1 4 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.952 -0.952 18818 2006 1 4 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.140 -2.740 18818 2007 1 4 . 1 1 53 53 GLN H H 53 8.490 8.490 8.202 0.288 18818 2008 1 4 . 1 1 54 54 LEU N N 54 119.800 119.800 121.130 -1.330 18818 2009 1 4 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.924 0.326 18818 2010 1 4 . 1 1 54 54 LEU C C 54 176.900 176.900 174.898 2.002 18818 2011 1 4 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.520 1.379 18818 2012 1 4 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.104 -0.004 18818 2013 1 4 . 1 1 54 54 LEU H H 54 7.920 7.920 7.828 0.092 18818 2014 1 4 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.265 0.205 18818 2015 1 4 . 1 1 55 55 PRO C C 55 178.300 178.300 177.061 1.239 18818 2016 1 4 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.652 0.648 18818 2017 1 4 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.728 -1.028 18818 2018 1 4 . 1 1 56 56 HIS N N 56 116.500 116.500 116.995 -0.495 18818 2019 1 4 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.549 0.041 18818 2020 1 4 . 1 1 56 56 HIS C C 56 176.300 176.300 176.566 -0.266 18818 2021 1 4 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.417 0.383 18818 2022 1 4 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.489 -1.189 18818 2023 1 4 . 1 1 56 56 HIS H H 56 9.770 9.770 7.756 2.014 18818 2024 1 4 . 1 1 57 57 LEU N N 57 116.600 116.600 118.470 -1.870 18818 2025 1 4 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.308 0.022 18818 2026 1 4 . 1 1 57 57 LEU C C 57 176.400 176.400 176.870 -0.470 18818 2027 1 4 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.947 -0.547 18818 2028 1 4 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.600 -0.100 18818 2029 1 4 . 1 1 57 57 LEU H H 57 7.830 7.830 7.928 -0.098 18818 2030 1 4 . 1 1 58 58 MET N N 58 118.000 118.000 116.034 1.966 18818 2031 1 4 . 1 1 58 58 MET HA H 58 4.540 4.540 4.844 -0.304 18818 2032 1 4 . 1 1 58 58 MET C C 58 171.600 171.600 173.589 -1.989 18818 2033 1 4 . 1 1 58 58 MET CA C 58 53.500 53.500 51.884 1.616 18818 2034 1 4 . 1 1 58 58 MET CB C 58 32.700 32.700 32.556 0.144 18818 2035 1 4 . 1 1 58 58 MET H H 58 7.970 7.970 7.918 0.052 18818 2036 1 4 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.544 -0.094 18818 2037 1 4 . 1 1 59 59 PRO C C 59 177.400 177.400 178.188 -0.788 18818 2038 1 4 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.391 0.709 18818 2039 1 4 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.651 -0.751 18818 2040 1 4 . 1 1 60 60 SER N N 60 114.900 114.900 118.016 -3.116 18818 2041 1 4 . 1 1 60 60 SER HA H 60 4.340 4.340 3.991 0.349 18818 2042 1 4 . 1 1 60 60 SER C C 60 174.700 174.700 176.305 -1.605 18818 2043 1 4 . 1 1 60 60 SER CA C 60 59.100 59.100 61.916 -2.817 18818 2044 1 4 . 1 1 60 60 SER CB C 60 63.200 63.200 62.909 0.291 18818 2045 1 4 . 1 1 60 60 SER H H 60 8.360 8.360 8.890 -0.530 18818 2046 1 4 . 1 1 61 61 ASN N N 61 120.800 120.800 118.799 2.001 18818 2047 1 4 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.499 0.311 18818 2048 1 4 . 1 1 61 61 ASN C C 61 175.500 175.500 176.078 -0.578 18818 2049 1 4 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.487 -2.487 18818 2050 1 4 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.368 -0.468 18818 2051 1 4 . 1 1 61 61 ASN H H 61 7.990 7.990 8.210 -0.220 18818 2052 1 4 . 1 1 62 62 CYS N N 62 117.800 117.800 116.389 1.411 18818 2053 1 4 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.441 0.149 18818 2054 1 4 . 1 1 62 62 CYS C C 62 175.300 175.300 174.914 0.386 18818 2055 1 4 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.992 -0.792 18818 2056 1 4 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.877 -0.477 18818 2057 1 4 . 1 1 62 62 CYS H H 62 8.260 8.260 7.733 0.527 18818 2058 1 4 . 1 1 63 63 GLY N N 63 111.300 111.300 109.931 1.369 18818 2059 1 4 . 1 1 63 63 GLY C C 63 175.600 175.600 175.007 0.593 18818 2060 1 4 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.843 1.457 18818 2061 1 4 . 1 1 63 63 GLY H H 63 8.520 8.520 7.701 0.819 18818 2062 1 4 . 1 1 64 64 LEU N N 64 122.400 122.400 121.908 0.492 18818 2063 1 4 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.111 -0.061 18818 2064 1 4 . 1 1 64 64 LEU C C 64 177.900 177.900 178.068 -0.168 18818 2065 1 4 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.437 1.163 18818 2066 1 4 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.181 0.819 18818 2067 1 4 . 1 1 64 64 LEU H H 64 7.910 7.910 8.318 -0.408 18818 2068 1 4 . 1 1 65 65 GLU N N 65 117.900 117.900 119.922 -2.022 18818 2069 1 4 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.843 0.067 18818 2070 1 4 . 1 1 65 65 GLU C C 65 179.100 179.100 177.745 1.355 18818 2071 1 4 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.613 1.387 18818 2072 1 4 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.582 -0.182 18818 2073 1 4 . 1 1 65 65 GLU H H 65 8.660 8.660 8.369 0.291 18818 2074 1 4 . 1 1 66 66 GLU N N 66 120.000 120.000 119.218 0.782 18818 2075 1 4 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.057 0.063 18818 2076 1 4 . 1 1 66 66 GLU C C 66 178.200 178.200 178.631 -0.431 18818 2077 1 4 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.002 0.098 18818 2078 1 4 . 1 1 66 66 GLU CB C 66 29.100 29.100 28.982 0.118 18818 2079 1 4 . 1 1 66 66 GLU H H 66 8.220 8.220 8.287 -0.067 18818 2080 1 4 . 1 1 67 67 LYS N N 67 119.300 119.300 117.216 2.084 18818 2081 1 4 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.225 -0.085 18818 2082 1 4 . 1 1 67 67 LYS C C 67 179.400 179.400 178.274 1.126 18818 2083 1 4 . 1 1 67 67 LYS CA C 67 58.900 58.900 56.738 2.162 18818 2084 1 4 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.246 -0.146 18818 2085 1 4 . 1 1 67 67 LYS H H 67 7.780 7.780 7.737 0.043 18818 2086 1 4 . 1 1 68 68 ILE N N 68 118.400 118.400 119.716 -1.316 18818 2087 1 4 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.872 -0.152 18818 2088 1 4 . 1 1 68 68 ILE C C 68 177.800 177.800 176.887 0.913 18818 2089 1 4 . 1 1 68 68 ILE CA C 68 64.500 64.500 62.992 1.508 18818 2090 1 4 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.897 -0.597 18818 2091 1 4 . 1 1 68 68 ILE H H 68 8.230 8.230 7.442 0.788 18818 2092 1 4 . 1 1 69 69 ALA N N 69 122.900 122.900 122.468 0.432 18818 2093 1 4 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.124 0.096 18818 2094 1 4 . 1 1 69 69 ALA C C 69 179.600 179.600 179.979 -0.379 18818 2095 1 4 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.007 -0.607 18818 2096 1 4 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.540 -0.640 18818 2097 1 4 . 1 1 69 69 ALA H H 69 8.070 8.070 7.916 0.154 18818 2098 1 4 . 1 1 70 70 ASN N N 70 115.400 115.400 117.484 -2.084 18818 2099 1 4 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.513 0.357 18818 2100 1 4 . 1 1 70 70 ASN C C 70 176.500 176.500 176.949 -0.449 18818 2101 1 4 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.394 -1.094 18818 2102 1 4 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.308 0.392 18818 2103 1 4 . 1 1 70 70 ASN H H 70 7.880 7.880 8.095 -0.215 18818 2104 1 4 . 1 1 71 71 LEU N N 71 120.600 120.600 116.128 4.472 18818 2105 1 4 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.735 -0.405 18818 2106 1 4 . 1 1 71 71 LEU C C 71 178.300 178.300 178.197 0.103 18818 2107 1 4 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.382 0.918 18818 2108 1 4 . 1 1 71 71 LEU CB C 71 42.300 42.300 40.751 1.550 18818 2109 1 4 . 1 1 71 71 LEU H H 71 7.820 7.820 7.618 0.202 18818 2110 1 4 . 1 1 72 72 GLY N N 72 106.800 106.800 110.067 -3.267 18818 2111 1 4 . 1 1 72 72 GLY C C 72 174.400 174.400 176.049 -1.649 18818 2112 1 4 . 1 1 72 72 GLY CA C 72 45.700 45.700 47.205 -1.505 18818 2113 1 4 . 1 1 72 72 GLY H H 72 8.240 8.240 7.722 0.518 18818 2114 1 4 . 1 1 73 73 SER N N 73 115.600 115.600 114.737 0.863 18818 2115 1 4 . 1 1 73 73 SER HA H 73 4.570 4.570 4.518 0.052 18818 2116 1 4 . 1 1 73 73 SER C C 73 175.000 175.000 174.715 0.285 18818 2117 1 4 . 1 1 73 73 SER CA C 73 58.900 58.900 59.349 -0.449 18818 2118 1 4 . 1 1 73 73 SER CB C 73 63.600 63.600 63.529 0.071 18818 2119 1 4 . 1 1 73 73 SER H H 73 8.220 8.220 8.348 -0.128 18818 2120 1 4 . 1 1 74 74 CYS N N 74 119.300 119.300 119.702 -0.402 18818 2121 1 4 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.651 -0.001 18818 2122 1 4 . 1 1 74 74 CYS C C 74 174.500 174.500 173.498 1.002 18818 2123 1 4 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.941 -0.241 18818 2124 1 4 . 1 1 74 74 CYS CB C 74 27.700 27.700 30.085 -2.385 18818 2125 1 4 . 1 1 74 74 CYS H H 74 8.260 8.260 8.105 0.155 18818 2126 1 4 . 1 1 75 75 ASN N N 75 120.000 120.000 119.290 0.710 18818 2127 1 4 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.903 -0.063 18818 2128 1 4 . 1 1 75 75 ASN C C 75 174.700 174.700 173.138 1.562 18818 2129 1 4 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.454 0.346 18818 2130 1 4 . 1 1 75 75 ASN CB C 75 38.900 38.900 41.445 -2.545 18818 2131 1 4 . 1 1 75 75 ASN H H 75 8.430 8.430 8.156 0.274 18818 2132 1 4 . 1 1 76 76 ASP N N 76 119.200 119.200 120.029 -0.829 18818 2133 1 4 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.791 -0.121 18818 2134 1 4 . 1 1 76 76 ASP C C 76 175.500 175.500 176.629 -1.129 18818 2135 1 4 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.479 -1.079 18818 2136 1 4 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.941 -1.341 18818 2137 1 4 . 1 1 76 76 ASP H H 76 8.300 8.300 8.755 -0.455 18818 2138 1 4 . 1 1 77 77 SER N N 77 112.800 112.800 111.370 1.430 18818 2139 1 4 . 1 1 77 77 SER HA H 77 4.260 4.260 4.624 -0.364 18818 2140 1 4 . 1 1 77 77 SER C C 77 173.300 173.300 174.163 -0.863 18818 2141 1 4 . 1 1 77 77 SER CA C 77 59.000 59.000 58.493 0.507 18818 2142 1 4 . 1 1 77 77 SER CB C 77 63.100 63.100 64.524 -1.424 18818 2143 1 4 . 1 1 77 77 SER H H 77 8.220 8.220 7.848 0.372 18818 2144 1 4 . 1 1 78 78 LYS N N 78 120.600 120.600 123.265 -2.665 18818 2145 1 4 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.515 0.045 18818 2146 1 4 . 1 1 78 78 LYS C C 78 175.300 175.300 175.322 -0.022 18818 2147 1 4 . 1 1 78 78 LYS CA C 78 55.600 55.600 54.930 0.670 18818 2148 1 4 . 1 1 78 78 LYS CB C 78 33.300 33.300 30.720 2.580 18818 2149 1 4 . 1 1 78 78 LYS H H 78 7.930 7.930 8.444 -0.514 18818 2150 1 4 . 1 1 79 79 LEU N N 79 123.700 123.700 124.551 -0.851 18818 2151 1 4 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.488 0.292 18818 2152 1 4 . 1 1 79 79 LEU C C 79 176.100 176.100 176.193 -0.093 18818 2153 1 4 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.068 0.132 18818 2154 1 4 . 1 1 79 79 LEU CB C 79 42.000 42.000 41.016 0.984 18818 2155 1 4 . 1 1 79 79 LEU H H 79 9.020 9.020 7.780 1.240 18818 2156 1 4 . 1 1 80 80 GLU N N 80 121.200 121.200 123.073 -1.873 18818 2157 1 4 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.633 0.267 18818 2158 1 4 . 1 1 80 80 GLU C C 80 177.100 177.100 177.604 -0.504 18818 2159 1 4 . 1 1 80 80 GLU CA C 80 55.200 55.200 56.284 -1.084 18818 2160 1 4 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.610 0.990 18818 2161 1 4 . 1 1 80 80 GLU H H 80 8.630 8.630 7.842 0.788 18818 2162 1 4 . 1 1 81 81 PHE N N 81 123.500 123.500 122.112 1.388 18818 2163 1 4 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.469 0.061 18818 2164 1 4 . 1 1 81 81 PHE C C 81 177.000 177.000 177.214 -0.214 18818 2165 1 4 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.956 0.344 18818 2166 1 4 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.969 -0.469 18818 2167 1 4 . 1 1 81 81 PHE H H 81 9.360 9.360 9.033 0.327 18818 2168 1 4 . 1 1 82 82 ARG N N 82 116.500 116.500 119.132 -2.632 18818 2169 1 4 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.022 0.018 18818 2170 1 4 . 1 1 82 82 ARG C C 82 178.000 178.000 178.167 -0.167 18818 2171 1 4 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.925 0.275 18818 2172 1 4 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.165 0.035 18818 2173 1 4 . 1 1 82 82 ARG H H 82 8.940 8.940 8.591 0.349 18818 2174 1 4 . 1 1 83 83 SER N N 83 115.700 115.700 114.919 0.781 18818 2175 1 4 . 1 1 83 83 SER HA H 83 4.510 4.510 4.282 0.228 18818 2176 1 4 . 1 1 83 83 SER C C 83 175.800 175.800 176.450 -0.650 18818 2177 1 4 . 1 1 83 83 SER CA C 83 61.700 61.700 61.321 0.379 18818 2178 1 4 . 1 1 83 83 SER CB C 83 62.700 62.700 62.691 0.009 18818 2179 1 4 . 1 1 83 83 SER H H 83 7.610 7.610 7.788 -0.178 18818 2180 1 4 . 1 1 84 84 PHE N N 84 122.200 122.200 123.502 -1.302 18818 2181 1 4 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.166 0.054 18818 2182 1 4 . 1 1 84 84 PHE C C 84 175.000 175.000 176.600 -1.600 18818 2183 1 4 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.490 -1.490 18818 2184 1 4 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.093 0.108 18818 2185 1 4 . 1 1 84 84 PHE H H 84 7.490 7.490 7.859 -0.369 18818 2186 1 4 . 1 1 85 85 TRP N N 85 120.700 120.700 119.586 1.114 18818 2187 1 4 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.103 -0.343 18818 2188 1 4 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.304 -0.505 18818 2189 1 4 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.689 -0.489 18818 2190 1 4 . 1 1 85 85 TRP H H 85 8.770 8.770 8.574 0.196 18818 2191 1 4 . 1 1 86 86 GLU N N 86 119.100 119.100 118.322 0.778 18818 2192 1 4 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.880 0.200 18818 2193 1 4 . 1 1 86 86 GLU C C 86 179.100 179.100 178.820 0.280 18818 2194 1 4 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.663 -0.363 18818 2195 1 4 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.863 0.636 18818 2196 1 4 . 1 1 86 86 GLU H H 86 8.150 8.150 8.431 -0.281 18818 2197 1 4 . 1 1 87 87 LEU N N 87 120.800 120.800 119.696 1.104 18818 2198 1 4 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.017 0.033 18818 2199 1 4 . 1 1 87 87 LEU C C 87 178.900 178.900 178.534 0.366 18818 2200 1 4 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.296 0.604 18818 2201 1 4 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.068 -0.768 18818 2202 1 4 . 1 1 87 87 LEU H H 87 7.600 7.600 7.089 0.511 18818 2203 1 4 . 1 1 88 88 ILE N N 88 115.200 115.200 119.109 -3.909 18818 2204 1 4 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.371 0.209 18818 2205 1 4 . 1 1 88 88 ILE C C 88 177.300 177.300 177.523 -0.223 18818 2206 1 4 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.172 -2.172 18818 2207 1 4 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.926 -1.326 18818 2208 1 4 . 1 1 88 88 ILE H H 88 7.960 7.960 7.455 0.505 18818 2209 1 4 . 1 1 89 89 GLY N N 89 108.100 108.100 106.354 1.746 18818 2210 1 4 . 1 1 89 89 GLY C C 89 175.700 175.700 175.108 0.592 18818 2211 1 4 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.040 -1.640 18818 2212 1 4 . 1 1 89 89 GLY H H 89 7.620 7.620 8.048 -0.428 18818 2213 1 4 . 1 1 90 90 GLU N N 90 120.000 120.000 121.605 -1.605 18818 2214 1 4 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.178 -0.218 18818 2215 1 4 . 1 1 90 90 GLU C C 90 179.100 179.100 178.917 0.183 18818 2216 1 4 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.958 0.242 18818 2217 1 4 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.406 -0.606 18818 2218 1 4 . 1 1 90 90 GLU H H 90 7.410 7.410 7.573 -0.163 18818 2219 1 4 . 1 1 91 91 ALA N N 91 122.400 122.400 123.823 -1.423 18818 2220 1 4 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.988 0.032 18818 2221 1 4 . 1 1 91 91 ALA C C 91 178.700 178.700 179.184 -0.484 18818 2222 1 4 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.825 -0.825 18818 2223 1 4 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.266 -0.266 18818 2224 1 4 . 1 1 91 91 ALA H H 91 7.610 7.610 7.508 0.102 18818 2225 1 4 . 1 1 92 92 ALA N N 92 118.000 118.000 117.206 0.794 18818 2226 1 4 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.160 -0.490 18818 2227 1 4 . 1 1 92 92 ALA C C 92 177.900 177.900 177.500 0.400 18818 2228 1 4 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.254 0.646 18818 2229 1 4 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.380 -0.480 18818 2230 1 4 . 1 1 92 92 ALA H H 92 7.740 7.740 7.823 -0.083 18818 2231 1 4 . 1 1 93 93 LYS N N 93 114.600 114.600 116.678 -2.078 18818 2232 1 4 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.437 -0.667 18818 2233 1 4 . 1 1 93 93 LYS C C 93 177.000 177.000 177.838 -0.838 18818 2234 1 4 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.283 1.217 18818 2235 1 4 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.431 -0.631 18818 2236 1 4 . 1 1 93 93 LYS H H 93 7.200 7.200 7.620 -0.420 18818 2237 1 4 . 1 1 94 94 SER N N 94 113.000 113.000 114.820 -1.820 18818 2238 1 4 . 1 1 94 94 SER HA H 94 4.450 4.450 4.470 -0.020 18818 2239 1 4 . 1 1 94 94 SER C C 94 174.500 174.500 174.137 0.363 18818 2240 1 4 . 1 1 94 94 SER CA C 94 58.800 58.800 60.257 -1.457 18818 2241 1 4 . 1 1 94 94 SER CB C 94 63.900 63.900 64.193 -0.293 18818 2242 1 4 . 1 1 94 94 SER H H 94 7.530 7.530 7.812 -0.282 18818 2243 1 4 . 1 1 95 95 VAL N N 95 122.100 122.100 120.027 2.073 18818 2244 1 4 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.234 -0.294 18818 2245 1 4 . 1 1 95 95 VAL C C 95 175.400 175.400 173.730 1.670 18818 2246 1 4 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.024 1.176 18818 2247 1 4 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.483 -0.983 18818 2248 1 4 . 1 1 95 95 VAL H H 95 7.440 7.440 7.721 -0.281 18818 2249 1 4 . 1 1 96 96 LYS N N 96 126.300 126.300 125.298 1.002 18818 2250 1 4 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.615 -0.215 18818 2251 1 4 . 1 1 96 96 LYS C C 96 176.000 176.000 175.986 0.014 18818 2252 1 4 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.277 0.223 18818 2253 1 4 . 1 1 96 96 LYS CB C 96 32.500 32.500 33.184 -0.684 18818 2254 1 4 . 1 1 96 96 LYS H H 96 8.470 8.470 8.152 0.318 18818 2255 1 4 . 1 1 97 97 LEU N N 97 123.400 123.400 122.541 0.859 18818 2256 1 4 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.265 0.145 18818 2257 1 4 . 1 1 97 97 LEU C C 97 176.700 176.700 177.797 -1.097 18818 2258 1 4 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.143 -0.743 18818 2259 1 4 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.431 -0.131 18818 2260 1 4 . 1 1 97 97 LEU H H 97 8.140 8.140 8.424 -0.284 18818 2261 1 4 . 1 1 98 98 GLU N N 98 121.400 121.400 120.313 1.087 18818 2262 1 4 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.240 0.100 18818 2263 1 4 . 1 1 98 98 GLU C C 98 175.900 175.900 176.410 -0.510 18818 2264 1 4 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.554 -0.354 18818 2265 1 4 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.664 0.436 18818 2266 1 4 . 1 1 98 98 GLU H H 98 8.320 8.320 8.643 -0.323 18818 2267 1 4 . 1 1 99 99 ARG N N 99 122.800 122.800 121.648 1.152 18818 2268 1 4 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.304 0.506 18818 2269 1 4 . 1 1 99 99 ARG C C 99 173.900 173.900 174.386 -0.486 18818 2270 1 4 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.097 -1.497 18818 2271 1 4 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.867 0.033 18818 2272 1 4 . 1 1 99 99 ARG H H 99 8.280 8.280 7.649 0.631 18818 2273 1 4 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.401 0.119 18818 2274 1 4 . 1 1 100 100 PRO C C 100 176.700 176.700 176.101 0.599 18818 2275 1 4 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.274 -0.474 18818 2276 1 4 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.880 -0.180 18818 2277 1 4 . 1 1 101 101 VAL N N 101 120.500 120.500 124.173 -3.673 18818 2278 1 4 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.384 -0.254 18818 2279 1 4 . 1 1 101 101 VAL C C 101 176.000 176.000 176.381 -0.381 18818 2280 1 4 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.887 0.213 18818 2281 1 4 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.935 -2.735 18818 2282 1 4 . 1 1 101 101 VAL H H 101 8.230 8.230 7.907 0.323 18818 2283 1 4 . 1 1 102 102 ARG N N 102 124.600 124.600 123.857 0.743 18818 2284 1 4 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.557 -0.137 18818 2285 1 4 . 1 1 102 102 ARG C C 102 176.400 176.400 176.694 -0.294 18818 2286 1 4 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.490 -0.590 18818 2287 1 4 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.317 -0.617 18818 2288 1 4 . 1 1 102 102 ARG H H 102 8.390 8.390 8.994 -0.604 18818 2289 1 4 . 1 1 103 103 GLY N N 103 110.400 110.400 108.140 2.260 18818 2290 1 4 . 1 1 103 103 GLY C C 103 172.900 172.900 173.881 -0.981 18818 2291 1 4 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.789 0.211 18818 2292 1 4 . 1 1 103 103 GLY H H 103 8.400 8.400 7.988 0.412 18818 2293 1 5 . 1 1 5 5 ARG N N 5 124.100 124.100 121.706 2.394 18818 2294 1 5 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.209 -0.159 18818 2295 1 5 . 1 1 5 5 ARG C C 5 173.800 173.800 176.270 -2.470 18818 2296 1 5 . 1 1 5 5 ARG CA C 5 56.000 56.000 57.237 -1.237 18818 2297 1 5 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.292 0.408 18818 2298 1 5 . 1 1 5 5 ARG H H 5 8.570 8.570 8.676 -0.106 18818 2299 1 5 . 1 1 6 6 SER N N 6 117.500 117.500 114.506 2.994 18818 2300 1 5 . 1 1 6 6 SER HA H 6 4.510 4.510 4.222 0.288 18818 2301 1 5 . 1 1 6 6 SER C C 6 174.100 174.100 173.239 0.861 18818 2302 1 5 . 1 1 6 6 SER CA C 6 58.000 58.000 57.843 0.157 18818 2303 1 5 . 1 1 6 6 SER CB C 6 63.700 63.700 62.441 1.259 18818 2304 1 5 . 1 1 6 6 SER H H 6 8.370 8.370 8.107 0.263 18818 2305 1 5 . 1 1 7 7 ALA N N 7 125.900 125.900 123.169 2.731 18818 2306 1 5 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.289 0.111 18818 2307 1 5 . 1 1 7 7 ALA C C 7 177.200 177.200 177.004 0.196 18818 2308 1 5 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.375 0.225 18818 2309 1 5 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.252 -0.252 18818 2310 1 5 . 1 1 7 7 ALA H H 7 8.410 8.410 7.859 0.551 18818 2311 1 5 . 1 1 8 8 ASN N N 8 117.400 117.400 122.414 -5.014 18818 2312 1 5 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.814 -0.044 18818 2313 1 5 . 1 1 8 8 ASN C C 8 174.900 174.900 174.737 0.163 18818 2314 1 5 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.381 -0.481 18818 2315 1 5 . 1 1 8 8 ASN CB C 8 38.800 38.800 41.111 -2.311 18818 2316 1 5 . 1 1 8 8 ASN H H 8 8.360 8.360 8.582 -0.222 18818 2317 1 5 . 1 1 9 9 ALA N N 9 124.400 124.400 127.288 -2.888 18818 2318 1 5 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.776 0.574 18818 2319 1 5 . 1 1 9 9 ALA C C 9 177.800 177.800 177.798 0.002 18818 2320 1 5 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.092 -0.392 18818 2321 1 5 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.913 0.987 18818 2322 1 5 . 1 1 9 9 ALA H H 9 8.270 8.270 8.896 -0.626 18818 2323 1 5 . 1 1 10 10 GLU N N 10 119.300 119.300 118.208 1.092 18818 2324 1 5 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.082 0.228 18818 2325 1 5 . 1 1 10 10 GLU C C 10 176.400 176.400 176.798 -0.398 18818 2326 1 5 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.607 -0.707 18818 2327 1 5 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.463 0.137 18818 2328 1 5 . 1 1 10 10 GLU H H 10 8.470 8.470 8.680 -0.210 18818 2329 1 5 . 1 1 11 11 ASP N N 11 120.600 120.600 118.278 2.322 18818 2330 1 5 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.630 -0.020 18818 2331 1 5 . 1 1 11 11 ASP C C 11 176.100 176.100 175.966 0.134 18818 2332 1 5 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.016 0.284 18818 2333 1 5 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.257 -0.457 18818 2334 1 5 . 1 1 11 11 ASP H H 11 8.200 8.200 7.759 0.441 18818 2335 1 5 . 1 1 12 12 ALA N N 12 123.800 123.800 121.438 2.362 18818 2336 1 5 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.298 0.792 18818 2337 1 5 . 1 1 12 12 ALA C C 12 177.800 177.800 176.834 0.966 18818 2338 1 5 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.791 -0.291 18818 2339 1 5 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.239 1.561 18818 2340 1 5 . 1 1 12 12 ALA H H 12 8.070 8.070 7.790 0.280 18818 2341 1 5 . 1 1 13 13 GLN N N 13 118.500 118.500 116.782 1.718 18818 2342 1 5 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.249 0.021 18818 2343 1 5 . 1 1 13 13 GLN C C 13 175.700 175.700 176.879 -1.179 18818 2344 1 5 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.405 -0.505 18818 2345 1 5 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.125 -0.025 18818 2346 1 5 . 1 1 13 13 GLN H H 13 8.230 8.230 8.129 0.101 18818 2347 1 5 . 1 1 14 14 GLU N N 14 120.600 120.600 118.858 1.742 18818 2348 1 5 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.264 0.036 18818 2349 1 5 . 1 1 14 14 GLU C C 14 175.800 175.800 176.467 -0.667 18818 2350 1 5 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.401 -1.601 18818 2351 1 5 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.794 0.105 18818 2352 1 5 . 1 1 14 14 GLU H H 14 8.100 8.100 8.235 -0.135 18818 2353 1 5 . 1 1 15 15 PHE N N 15 121.100 121.100 117.711 3.389 18818 2354 1 5 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.948 -0.068 18818 2355 1 5 . 1 1 15 15 PHE C C 15 176.900 176.900 176.779 0.121 18818 2356 1 5 . 1 1 15 15 PHE CA C 15 55.300 55.300 54.900 0.400 18818 2357 1 5 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.841 -0.541 18818 2358 1 5 . 1 1 15 15 PHE H H 15 8.030 8.030 7.406 0.624 18818 2359 1 5 . 1 1 16 16 SER N N 16 119.400 119.400 115.757 3.643 18818 2360 1 5 . 1 1 16 16 SER HA H 16 4.850 4.850 4.395 0.455 18818 2361 1 5 . 1 1 16 16 SER C C 16 174.800 174.800 175.778 -0.978 18818 2362 1 5 . 1 1 16 16 SER CA C 16 57.000 57.000 57.824 -0.824 18818 2363 1 5 . 1 1 16 16 SER CB C 16 65.600 65.600 64.814 0.785 18818 2364 1 5 . 1 1 16 16 SER H H 16 9.530 9.530 8.567 0.963 18818 2365 1 5 . 1 1 17 17 ASP N N 17 121.300 121.300 123.669 -2.369 18818 2366 1 5 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.456 0.094 18818 2367 1 5 . 1 1 17 17 ASP C C 17 179.700 179.700 177.873 1.827 18818 2368 1 5 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.546 0.454 18818 2369 1 5 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.670 -1.171 18818 2370 1 5 . 1 1 17 17 ASP H H 17 9.270 9.270 8.943 0.327 18818 2371 1 5 . 1 1 18 18 VAL N N 18 120.600 120.600 119.185 1.415 18818 2372 1 5 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.916 -0.236 18818 2373 1 5 . 1 1 18 18 VAL C C 18 176.900 176.900 177.224 -0.324 18818 2374 1 5 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.424 1.076 18818 2375 1 5 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.029 -0.129 18818 2376 1 5 . 1 1 18 18 VAL H H 18 8.230 8.230 7.925 0.305 18818 2377 1 5 . 1 1 19 19 GLU N N 19 121.000 121.000 119.737 1.263 18818 2378 1 5 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.096 -0.356 18818 2379 1 5 . 1 1 19 19 GLU C C 19 178.600 178.600 178.885 -0.285 18818 2380 1 5 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.557 0.443 18818 2381 1 5 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.521 -0.821 18818 2382 1 5 . 1 1 19 19 GLU H H 19 8.180 8.180 7.739 0.441 18818 2383 1 5 . 1 1 20 20 ARG N N 20 118.100 118.100 118.066 0.034 18818 2384 1 5 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.463 -0.163 18818 2385 1 5 . 1 1 20 20 ARG C C 20 178.700 178.700 178.363 0.337 18818 2386 1 5 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.781 0.319 18818 2387 1 5 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.934 -0.234 18818 2388 1 5 . 1 1 20 20 ARG H H 20 8.920 8.920 8.702 0.218 18818 2389 1 5 . 1 1 21 21 ALA N N 21 123.800 123.800 124.196 -0.396 18818 2390 1 5 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.162 0.258 18818 2391 1 5 . 1 1 21 21 ALA C C 21 179.300 179.300 179.676 -0.376 18818 2392 1 5 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.041 0.160 18818 2393 1 5 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.224 -0.325 18818 2394 1 5 . 1 1 21 21 ALA H H 21 8.060 8.060 7.848 0.212 18818 2395 1 5 . 1 1 22 22 ILE N N 22 118.200 118.200 118.692 -0.492 18818 2396 1 5 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.787 -0.067 18818 2397 1 5 . 1 1 22 22 ILE C C 22 177.500 177.500 178.246 -0.746 18818 2398 1 5 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.767 0.233 18818 2399 1 5 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.690 -0.290 18818 2400 1 5 . 1 1 22 22 ILE H H 22 8.010 8.010 7.740 0.270 18818 2401 1 5 . 1 1 23 23 GLU N N 23 120.100 120.100 120.098 0.002 18818 2402 1 5 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.082 -0.122 18818 2403 1 5 . 1 1 23 23 GLU C C 23 178.000 178.000 179.075 -1.075 18818 2404 1 5 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.951 0.349 18818 2405 1 5 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.364 0.136 18818 2406 1 5 . 1 1 23 23 GLU H H 23 8.450 8.450 7.765 0.685 18818 2407 1 5 . 1 1 24 24 THR N N 24 117.300 117.300 116.799 0.501 18818 2408 1 5 . 1 1 24 24 THR HA H 24 4.010 4.010 4.204 -0.194 18818 2409 1 5 . 1 1 24 24 THR C C 24 177.000 177.000 177.070 -0.070 18818 2410 1 5 . 1 1 24 24 THR CA C 24 67.100 67.100 66.832 0.268 18818 2411 1 5 . 1 1 24 24 THR CB C 24 68.200 68.200 68.474 -0.274 18818 2412 1 5 . 1 1 24 24 THR H H 24 8.720 8.720 8.146 0.574 18818 2413 1 5 . 1 1 25 25 LEU N N 25 123.400 123.400 121.908 1.492 18818 2414 1 5 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.329 -0.049 18818 2415 1 5 . 1 1 25 25 LEU C C 25 178.200 178.200 178.913 -0.713 18818 2416 1 5 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.994 1.306 18818 2417 1 5 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.556 0.144 18818 2418 1 5 . 1 1 25 25 LEU H H 25 8.150 8.150 7.815 0.335 18818 2419 1 5 . 1 1 26 26 ILE N N 26 119.500 119.500 120.394 -0.894 18818 2420 1 5 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.457 0.543 18818 2421 1 5 . 1 1 26 26 ILE C C 26 177.900 177.900 178.883 -0.983 18818 2422 1 5 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.694 -0.594 18818 2423 1 5 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.816 0.484 18818 2424 1 5 . 1 1 26 26 ILE H H 26 8.510 8.510 8.214 0.296 18818 2425 1 5 . 1 1 27 27 LYS N N 27 120.500 120.500 118.763 1.737 18818 2426 1 5 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.115 0.035 18818 2427 1 5 . 1 1 27 27 LYS C C 27 179.600 179.600 179.315 0.285 18818 2428 1 5 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.694 0.406 18818 2429 1 5 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.774 0.226 18818 2430 1 5 . 1 1 27 27 LYS H H 27 9.000 9.000 8.611 0.389 18818 2431 1 5 . 1 1 28 28 ASN N N 28 117.300 117.300 117.132 0.168 18818 2432 1 5 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.766 -0.206 18818 2433 1 5 . 1 1 28 28 ASN C C 28 176.000 176.000 177.758 -1.758 18818 2434 1 5 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.069 1.631 18818 2435 1 5 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.816 1.484 18818 2436 1 5 . 1 1 28 28 ASN H H 28 7.990 7.990 7.801 0.189 18818 2437 1 5 . 1 1 29 29 PHE N N 29 119.100 119.100 122.543 -3.443 18818 2438 1 5 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.651 0.259 18818 2439 1 5 . 1 1 29 29 PHE C C 29 176.200 176.200 176.707 -0.507 18818 2440 1 5 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.624 -0.424 18818 2441 1 5 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.696 -0.096 18818 2442 1 5 . 1 1 29 29 PHE H H 29 7.990 7.990 8.129 -0.139 18818 2443 1 5 . 1 1 30 30 HIS N N 30 114.700 114.700 115.656 -0.956 18818 2444 1 5 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.408 -0.088 18818 2445 1 5 . 1 1 30 30 HIS C C 30 177.400 177.400 177.359 0.041 18818 2446 1 5 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.341 -0.841 18818 2447 1 5 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.695 -0.095 18818 2448 1 5 . 1 1 30 30 HIS H H 30 8.180 8.180 7.582 0.598 18818 2449 1 5 . 1 1 31 31 GLN N N 31 118.500 118.500 117.044 1.456 18818 2450 1 5 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.139 -0.059 18818 2451 1 5 . 1 1 31 31 GLN C C 31 176.600 176.600 177.141 -0.541 18818 2452 1 5 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.242 -0.442 18818 2453 1 5 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.239 -0.839 18818 2454 1 5 . 1 1 31 31 GLN H H 31 8.280 8.280 8.278 0.002 18818 2455 1 5 . 1 1 32 32 TYR N N 32 115.700 115.700 117.409 -1.709 18818 2456 1 5 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.456 -0.246 18818 2457 1 5 . 1 1 32 32 TYR C C 32 174.800 174.800 176.216 -1.416 18818 2458 1 5 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.458 0.242 18818 2459 1 5 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.362 -1.662 18818 2460 1 5 . 1 1 32 32 TYR H H 32 7.410 7.410 7.629 -0.219 18818 2461 1 5 . 1 1 33 33 SER N N 33 114.000 114.000 116.003 -2.003 18818 2462 1 5 . 1 1 33 33 SER HA H 33 4.530 4.530 4.311 0.219 18818 2463 1 5 . 1 1 33 33 SER C C 33 175.000 175.000 174.320 0.680 18818 2464 1 5 . 1 1 33 33 SER CA C 33 57.200 57.200 60.055 -2.855 18818 2465 1 5 . 1 1 33 33 SER CB C 33 63.200 63.200 62.521 0.679 18818 2466 1 5 . 1 1 33 33 SER H H 33 7.260 7.260 7.916 -0.656 18818 2467 1 5 . 1 1 34 34 VAL N N 34 126.600 126.600 125.260 1.340 18818 2468 1 5 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.163 -0.153 18818 2469 1 5 . 1 1 34 34 VAL C C 34 177.800 177.800 176.540 1.260 18818 2470 1 5 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.068 1.332 18818 2471 1 5 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.628 -0.528 18818 2472 1 5 . 1 1 34 34 VAL H H 34 8.490 8.490 8.814 -0.324 18818 2473 1 5 . 1 1 35 35 GLU N N 35 122.100 122.100 119.640 2.460 18818 2474 1 5 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.410 -0.160 18818 2475 1 5 . 1 1 35 35 GLU C C 35 177.800 177.800 177.564 0.236 18818 2476 1 5 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.408 1.092 18818 2477 1 5 . 1 1 35 35 GLU CB C 35 29.800 29.800 31.374 -1.574 18818 2478 1 5 . 1 1 35 35 GLU H H 35 8.980 8.980 8.519 0.461 18818 2479 1 5 . 1 1 36 36 GLY N N 36 108.500 108.500 107.629 0.871 18818 2480 1 5 . 1 1 36 36 GLY C C 36 175.000 175.000 175.789 -0.789 18818 2481 1 5 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.044 0.256 18818 2482 1 5 . 1 1 36 36 GLY H H 36 8.490 8.490 7.846 0.644 18818 2483 1 5 . 1 1 37 37 GLY N N 37 108.700 108.700 110.873 -2.173 18818 2484 1 5 . 1 1 37 37 GLY C C 37 174.100 174.100 174.234 -0.134 18818 2485 1 5 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.795 1.005 18818 2486 1 5 . 1 1 37 37 GLY H H 37 8.140 8.140 8.472 -0.332 18818 2487 1 5 . 1 1 38 38 LYS N N 38 118.000 118.000 115.906 2.094 18818 2488 1 5 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.779 0.691 18818 2489 1 5 . 1 1 38 38 LYS C C 38 176.000 176.000 176.404 -0.404 18818 2490 1 5 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.490 -2.390 18818 2491 1 5 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.391 1.309 18818 2492 1 5 . 1 1 38 38 LYS H H 38 8.050 8.050 8.067 -0.017 18818 2493 1 5 . 1 1 39 39 GLU N N 39 118.100 118.100 116.296 1.804 18818 2494 1 5 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.737 -0.177 18818 2495 1 5 . 1 1 39 39 GLU C C 39 175.600 175.600 176.396 -0.796 18818 2496 1 5 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.185 -0.385 18818 2497 1 5 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.529 -0.329 18818 2498 1 5 . 1 1 39 39 GLU H H 39 8.630 8.630 8.711 -0.081 18818 2499 1 5 . 1 1 40 40 THR N N 40 108.100 108.100 108.494 -0.394 18818 2500 1 5 . 1 1 40 40 THR HA H 40 5.160 5.160 5.405 -0.245 18818 2501 1 5 . 1 1 40 40 THR C C 40 173.400 173.400 172.891 0.509 18818 2502 1 5 . 1 1 40 40 THR CA C 40 59.300 59.300 59.174 0.126 18818 2503 1 5 . 1 1 40 40 THR CB C 40 72.100 72.100 71.969 0.131 18818 2504 1 5 . 1 1 40 40 THR H H 40 7.490 7.490 7.624 -0.134 18818 2505 1 5 . 1 1 41 41 LEU N N 41 120.700 120.700 120.617 0.083 18818 2506 1 5 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.497 0.543 18818 2507 1 5 . 1 1 41 41 LEU C C 41 177.000 177.000 175.753 1.247 18818 2508 1 5 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.253 0.047 18818 2509 1 5 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.515 -0.215 18818 2510 1 5 . 1 1 41 41 LEU H H 41 8.660 8.660 8.252 0.408 18818 2511 1 5 . 1 1 42 42 THR N N 42 113.500 113.500 112.423 1.077 18818 2512 1 5 . 1 1 42 42 THR HA H 42 5.000 5.000 4.812 0.188 18818 2513 1 5 . 1 1 42 42 THR C C 42 174.100 174.100 173.326 0.774 18818 2514 1 5 . 1 1 42 42 THR CA C 42 59.800 59.800 59.317 0.483 18818 2515 1 5 . 1 1 42 42 THR CB C 42 68.100 68.100 70.762 -2.662 18818 2516 1 5 . 1 1 42 42 THR H H 42 9.130 9.130 8.010 1.120 18818 2517 1 5 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.144 0.006 18818 2518 1 5 . 1 1 43 43 PRO C C 43 178.600 178.600 178.540 0.060 18818 2519 1 5 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.140 0.060 18818 2520 1 5 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.780 -0.080 18818 2521 1 5 . 1 1 44 44 SER N N 44 111.600 111.600 113.574 -1.974 18818 2522 1 5 . 1 1 44 44 SER HA H 44 4.170 4.170 4.195 -0.025 18818 2523 1 5 . 1 1 44 44 SER C C 44 176.200 176.200 176.376 -0.176 18818 2524 1 5 . 1 1 44 44 SER CA C 44 61.500 61.500 62.860 -1.360 18818 2525 1 5 . 1 1 44 44 SER CB C 44 62.200 62.200 62.986 -0.786 18818 2526 1 5 . 1 1 44 44 SER H H 44 8.090 8.090 7.926 0.164 18818 2527 1 5 . 1 1 45 45 GLU N N 45 123.900 123.900 121.707 2.193 18818 2528 1 5 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.249 0.011 18818 2529 1 5 . 1 1 45 45 GLU C C 45 179.000 179.000 178.511 0.489 18818 2530 1 5 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.421 0.679 18818 2531 1 5 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.337 0.364 18818 2532 1 5 . 1 1 45 45 GLU H H 45 7.700 7.700 7.795 -0.095 18818 2533 1 5 . 1 1 46 46 LEU N N 46 118.900 118.900 123.147 -4.247 18818 2534 1 5 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.008 0.072 18818 2535 1 5 . 1 1 46 46 LEU C C 46 177.600 177.600 178.720 -1.120 18818 2536 1 5 . 1 1 46 46 LEU CA C 46 57.300 57.300 57.928 -0.628 18818 2537 1 5 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.292 -0.392 18818 2538 1 5 . 1 1 46 46 LEU H H 46 8.400 8.400 8.626 -0.226 18818 2539 1 5 . 1 1 47 47 ARG N N 47 119.300 119.300 118.512 0.788 18818 2540 1 5 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.857 -0.087 18818 2541 1 5 . 1 1 47 47 ARG C C 47 178.900 178.900 178.411 0.489 18818 2542 1 5 . 1 1 47 47 ARG CA C 47 60.000 60.000 60.217 -0.217 18818 2543 1 5 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.889 -0.889 18818 2544 1 5 . 1 1 47 47 ARG H H 47 8.260 8.260 8.259 0.001 18818 2545 1 5 . 1 1 48 48 ASP N N 48 122.300 122.300 119.738 2.562 18818 2546 1 5 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.485 -0.055 18818 2547 1 5 . 1 1 48 48 ASP C C 48 176.700 176.700 178.575 -1.875 18818 2548 1 5 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.713 -0.213 18818 2549 1 5 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.127 -1.727 18818 2550 1 5 . 1 1 48 48 ASP H H 48 8.160 8.160 7.923 0.237 18818 2551 1 5 . 1 1 49 49 LEU N N 49 122.600 122.600 118.700 3.900 18818 2552 1 5 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.752 -0.582 18818 2553 1 5 . 1 1 49 49 LEU C C 49 179.100 179.100 178.277 0.823 18818 2554 1 5 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.763 1.237 18818 2555 1 5 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.108 0.192 18818 2556 1 5 . 1 1 49 49 LEU H H 49 7.980 7.980 7.965 0.015 18818 2557 1 5 . 1 1 50 50 VAL N N 50 118.200 118.200 120.820 -2.620 18818 2558 1 5 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.538 0.012 18818 2559 1 5 . 1 1 50 50 VAL C C 50 178.800 178.800 178.100 0.700 18818 2560 1 5 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.325 -0.925 18818 2561 1 5 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.377 0.123 18818 2562 1 5 . 1 1 50 50 VAL H H 50 8.390 8.390 7.965 0.425 18818 2563 1 5 . 1 1 51 51 THR N N 51 115.000 115.000 113.380 1.620 18818 2564 1 5 . 1 1 51 51 THR HA H 51 3.990 3.990 4.121 -0.131 18818 2565 1 5 . 1 1 51 51 THR C C 51 176.000 176.000 176.024 -0.024 18818 2566 1 5 . 1 1 51 51 THR CA C 51 65.800 65.800 64.807 0.993 18818 2567 1 5 . 1 1 51 51 THR CB C 51 68.900 68.900 68.533 0.367 18818 2568 1 5 . 1 1 51 51 THR H H 51 8.480 8.480 7.987 0.493 18818 2569 1 5 . 1 1 52 52 GLN N N 52 116.400 116.400 118.323 -1.923 18818 2570 1 5 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.307 -0.057 18818 2571 1 5 . 1 1 52 52 GLN C C 52 178.300 178.300 176.952 1.348 18818 2572 1 5 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.750 0.050 18818 2573 1 5 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.935 -1.435 18818 2574 1 5 . 1 1 52 52 GLN H H 52 8.180 8.180 7.975 0.205 18818 2575 1 5 . 1 1 53 53 GLN N N 53 112.100 112.100 115.116 -3.016 18818 2576 1 5 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.524 0.326 18818 2577 1 5 . 1 1 53 53 GLN C C 53 176.900 176.900 176.252 0.648 18818 2578 1 5 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.891 -0.891 18818 2579 1 5 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.177 -2.777 18818 2580 1 5 . 1 1 53 53 GLN H H 53 8.490 8.490 7.960 0.530 18818 2581 1 5 . 1 1 54 54 LEU N N 54 119.800 119.800 121.016 -1.216 18818 2582 1 5 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.893 0.357 18818 2583 1 5 . 1 1 54 54 LEU C C 54 176.900 176.900 175.081 1.819 18818 2584 1 5 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.464 1.437 18818 2585 1 5 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.935 0.165 18818 2586 1 5 . 1 1 54 54 LEU H H 54 7.920 7.920 7.772 0.148 18818 2587 1 5 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.247 0.223 18818 2588 1 5 . 1 1 55 55 PRO C C 55 178.300 178.300 177.389 0.911 18818 2589 1 5 . 1 1 55 55 PRO CA C 55 65.300 65.300 65.107 0.193 18818 2590 1 5 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.885 -1.185 18818 2591 1 5 . 1 1 56 56 HIS N N 56 116.500 116.500 116.404 0.096 18818 2592 1 5 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.566 0.024 18818 2593 1 5 . 1 1 56 56 HIS C C 56 176.300 176.300 176.143 0.157 18818 2594 1 5 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.922 -0.122 18818 2595 1 5 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.555 -1.255 18818 2596 1 5 . 1 1 56 56 HIS H H 56 9.770 9.770 8.267 1.503 18818 2597 1 5 . 1 1 57 57 LEU N N 57 116.600 116.600 118.483 -1.883 18818 2598 1 5 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.352 -0.022 18818 2599 1 5 . 1 1 57 57 LEU C C 57 176.400 176.400 176.213 0.187 18818 2600 1 5 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.814 -0.414 18818 2601 1 5 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.522 -0.022 18818 2602 1 5 . 1 1 57 57 LEU H H 57 7.830 7.830 7.821 0.009 18818 2603 1 5 . 1 1 58 58 MET N N 58 118.000 118.000 119.610 -1.610 18818 2604 1 5 . 1 1 58 58 MET HA H 58 4.540 4.540 4.784 -0.244 18818 2605 1 5 . 1 1 58 58 MET C C 58 171.600 171.600 173.478 -1.878 18818 2606 1 5 . 1 1 58 58 MET CA C 58 53.500 53.500 52.839 0.661 18818 2607 1 5 . 1 1 58 58 MET CB C 58 32.700 32.700 33.650 -0.950 18818 2608 1 5 . 1 1 58 58 MET H H 58 7.970 7.970 7.778 0.192 18818 2609 1 5 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.583 -0.133 18818 2610 1 5 . 1 1 59 59 PRO C C 59 177.400 177.400 178.138 -0.738 18818 2611 1 5 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.110 0.990 18818 2612 1 5 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.682 -0.782 18818 2613 1 5 . 1 1 60 60 SER N N 60 114.900 114.900 116.632 -1.732 18818 2614 1 5 . 1 1 60 60 SER HA H 60 4.340 4.340 4.013 0.327 18818 2615 1 5 . 1 1 60 60 SER C C 60 174.700 174.700 176.038 -1.338 18818 2616 1 5 . 1 1 60 60 SER CA C 60 59.100 59.100 60.608 -1.508 18818 2617 1 5 . 1 1 60 60 SER CB C 60 63.200 63.200 62.668 0.532 18818 2618 1 5 . 1 1 60 60 SER H H 60 8.360 8.360 8.852 -0.492 18818 2619 1 5 . 1 1 61 61 ASN N N 61 120.800 120.800 119.977 0.823 18818 2620 1 5 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.503 0.307 18818 2621 1 5 . 1 1 61 61 ASN C C 61 175.500 175.500 175.974 -0.474 18818 2622 1 5 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.361 -2.361 18818 2623 1 5 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.341 -0.441 18818 2624 1 5 . 1 1 61 61 ASN H H 61 7.990 7.990 8.173 -0.183 18818 2625 1 5 . 1 1 62 62 CYS N N 62 117.800 117.800 117.601 0.199 18818 2626 1 5 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.467 0.123 18818 2627 1 5 . 1 1 62 62 CYS C C 62 175.300 175.300 174.665 0.635 18818 2628 1 5 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.715 -0.515 18818 2629 1 5 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.354 -0.954 18818 2630 1 5 . 1 1 62 62 CYS H H 62 8.260 8.260 7.507 0.753 18818 2631 1 5 . 1 1 63 63 GLY N N 63 111.300 111.300 109.886 1.414 18818 2632 1 5 . 1 1 63 63 GLY C C 63 175.600 175.600 175.672 -0.072 18818 2633 1 5 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.063 1.237 18818 2634 1 5 . 1 1 63 63 GLY H H 63 8.520 8.520 7.870 0.650 18818 2635 1 5 . 1 1 64 64 LEU N N 64 122.400 122.400 121.219 1.181 18818 2636 1 5 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.098 -0.048 18818 2637 1 5 . 1 1 64 64 LEU C C 64 177.900 177.900 178.044 -0.144 18818 2638 1 5 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.689 0.911 18818 2639 1 5 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.335 0.665 18818 2640 1 5 . 1 1 64 64 LEU H H 64 7.910 7.910 8.300 -0.390 18818 2641 1 5 . 1 1 65 65 GLU N N 65 117.900 117.900 119.640 -1.740 18818 2642 1 5 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.866 0.044 18818 2643 1 5 . 1 1 65 65 GLU C C 65 179.100 179.100 178.200 0.900 18818 2644 1 5 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.773 1.226 18818 2645 1 5 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.275 0.125 18818 2646 1 5 . 1 1 65 65 GLU H H 65 8.660 8.660 8.192 0.468 18818 2647 1 5 . 1 1 66 66 GLU N N 66 120.000 120.000 120.220 -0.220 18818 2648 1 5 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.123 -0.003 18818 2649 1 5 . 1 1 66 66 GLU C C 66 178.200 178.200 178.452 -0.252 18818 2650 1 5 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.478 0.622 18818 2651 1 5 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.325 -0.225 18818 2652 1 5 . 1 1 66 66 GLU H H 66 8.220 8.220 7.946 0.274 18818 2653 1 5 . 1 1 67 67 LYS N N 67 119.300 119.300 118.409 0.891 18818 2654 1 5 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.320 -0.180 18818 2655 1 5 . 1 1 67 67 LYS C C 67 179.400 179.400 178.983 0.417 18818 2656 1 5 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.793 1.107 18818 2657 1 5 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.984 0.116 18818 2658 1 5 . 1 1 67 67 LYS H H 67 7.780 7.780 7.773 0.007 18818 2659 1 5 . 1 1 68 68 ILE N N 68 118.400 118.400 119.058 -0.658 18818 2660 1 5 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.784 -0.064 18818 2661 1 5 . 1 1 68 68 ILE C C 68 177.800 177.800 177.352 0.448 18818 2662 1 5 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.226 0.274 18818 2663 1 5 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.609 -0.309 18818 2664 1 5 . 1 1 68 68 ILE H H 68 8.230 8.230 7.386 0.844 18818 2665 1 5 . 1 1 69 69 ALA N N 69 122.900 122.900 121.180 1.720 18818 2666 1 5 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.094 0.126 18818 2667 1 5 . 1 1 69 69 ALA C C 69 179.600 179.600 178.516 1.084 18818 2668 1 5 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.435 -0.035 18818 2669 1 5 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.281 -0.381 18818 2670 1 5 . 1 1 69 69 ALA H H 69 8.070 8.070 7.739 0.331 18818 2671 1 5 . 1 1 70 70 ASN N N 70 115.400 115.400 115.970 -0.570 18818 2672 1 5 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.571 0.299 18818 2673 1 5 . 1 1 70 70 ASN C C 70 176.500 176.500 177.042 -0.542 18818 2674 1 5 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.101 -0.801 18818 2675 1 5 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.001 -0.301 18818 2676 1 5 . 1 1 70 70 ASN H H 70 7.880 7.880 7.850 0.030 18818 2677 1 5 . 1 1 71 71 LEU N N 71 120.600 120.600 115.617 4.983 18818 2678 1 5 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.619 -0.289 18818 2679 1 5 . 1 1 71 71 LEU C C 71 178.300 178.300 178.412 -0.112 18818 2680 1 5 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.336 0.964 18818 2681 1 5 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.261 1.039 18818 2682 1 5 . 1 1 71 71 LEU H H 71 7.820 7.820 7.421 0.399 18818 2683 1 5 . 1 1 72 72 GLY N N 72 106.800 106.800 108.543 -1.743 18818 2684 1 5 . 1 1 72 72 GLY C C 72 174.400 174.400 174.991 -0.591 18818 2685 1 5 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.806 -0.106 18818 2686 1 5 . 1 1 72 72 GLY H H 72 8.240 8.240 8.645 -0.405 18818 2687 1 5 . 1 1 73 73 SER N N 73 115.600 115.600 116.040 -0.440 18818 2688 1 5 . 1 1 73 73 SER HA H 73 4.570 4.570 4.377 0.193 18818 2689 1 5 . 1 1 73 73 SER C C 73 175.000 175.000 175.355 -0.355 18818 2690 1 5 . 1 1 73 73 SER CA C 73 58.900 58.900 58.910 -0.010 18818 2691 1 5 . 1 1 73 73 SER CB C 73 63.600 63.600 63.674 -0.074 18818 2692 1 5 . 1 1 73 73 SER H H 73 8.220 8.220 8.212 0.008 18818 2693 1 5 . 1 1 74 74 CYS N N 74 119.300 119.300 121.131 -1.831 18818 2694 1 5 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.488 0.162 18818 2695 1 5 . 1 1 74 74 CYS C C 74 174.500 174.500 174.458 0.042 18818 2696 1 5 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.334 -0.634 18818 2697 1 5 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.692 -0.992 18818 2698 1 5 . 1 1 74 74 CYS H H 74 8.260 8.260 8.281 -0.021 18818 2699 1 5 . 1 1 75 75 ASN N N 75 120.000 120.000 120.536 -0.536 18818 2700 1 5 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.723 0.117 18818 2701 1 5 . 1 1 75 75 ASN C C 75 174.700 174.700 176.177 -1.477 18818 2702 1 5 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.486 -0.686 18818 2703 1 5 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.551 -0.651 18818 2704 1 5 . 1 1 75 75 ASN H H 75 8.430 8.430 8.690 -0.260 18818 2705 1 5 . 1 1 76 76 ASP N N 76 119.200 119.200 121.723 -2.523 18818 2706 1 5 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.551 0.119 18818 2707 1 5 . 1 1 76 76 ASP C C 76 175.500 175.500 177.402 -1.902 18818 2708 1 5 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.826 -1.426 18818 2709 1 5 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.833 -0.233 18818 2710 1 5 . 1 1 76 76 ASP H H 76 8.300 8.300 8.581 -0.281 18818 2711 1 5 . 1 1 77 77 SER N N 77 112.800 112.800 113.796 -0.996 18818 2712 1 5 . 1 1 77 77 SER HA H 77 4.260 4.260 4.525 -0.265 18818 2713 1 5 . 1 1 77 77 SER C C 77 173.300 173.300 174.365 -1.065 18818 2714 1 5 . 1 1 77 77 SER CA C 77 59.000 59.000 58.430 0.570 18818 2715 1 5 . 1 1 77 77 SER CB C 77 63.100 63.100 63.623 -0.524 18818 2716 1 5 . 1 1 77 77 SER H H 77 8.220 8.220 8.207 0.013 18818 2717 1 5 . 1 1 78 78 LYS N N 78 120.600 120.600 118.813 1.787 18818 2718 1 5 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.965 0.595 18818 2719 1 5 . 1 1 78 78 LYS C C 78 175.300 175.300 175.718 -0.418 18818 2720 1 5 . 1 1 78 78 LYS CA C 78 55.600 55.600 59.022 -3.421 18818 2721 1 5 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.360 1.940 18818 2722 1 5 . 1 1 78 78 LYS H H 78 7.930 7.930 7.681 0.249 18818 2723 1 5 . 1 1 79 79 LEU N N 79 123.700 123.700 119.307 4.393 18818 2724 1 5 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.590 0.190 18818 2725 1 5 . 1 1 79 79 LEU C C 79 176.100 176.100 175.000 1.100 18818 2726 1 5 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.767 0.433 18818 2727 1 5 . 1 1 79 79 LEU CB C 79 42.000 42.000 46.145 -4.145 18818 2728 1 5 . 1 1 79 79 LEU H H 79 9.020 9.020 7.967 1.053 18818 2729 1 5 . 1 1 80 80 GLU N N 80 121.200 121.200 120.108 1.092 18818 2730 1 5 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.048 -0.148 18818 2731 1 5 . 1 1 80 80 GLU C C 80 177.100 177.100 176.966 0.134 18818 2732 1 5 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.026 1.174 18818 2733 1 5 . 1 1 80 80 GLU CB C 80 31.600 31.600 33.046 -1.446 18818 2734 1 5 . 1 1 80 80 GLU H H 80 8.630 8.630 8.074 0.556 18818 2735 1 5 . 1 1 81 81 PHE N N 81 123.500 123.500 121.768 1.732 18818 2736 1 5 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.477 0.053 18818 2737 1 5 . 1 1 81 81 PHE C C 81 177.000 177.000 176.842 0.158 18818 2738 1 5 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.634 -0.334 18818 2739 1 5 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.886 -0.386 18818 2740 1 5 . 1 1 81 81 PHE H H 81 9.360 9.360 8.924 0.436 18818 2741 1 5 . 1 1 82 82 ARG N N 82 116.500 116.500 118.912 -2.412 18818 2742 1 5 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.016 0.024 18818 2743 1 5 . 1 1 82 82 ARG C C 82 178.000 178.000 178.211 -0.211 18818 2744 1 5 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.945 0.255 18818 2745 1 5 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.326 -0.126 18818 2746 1 5 . 1 1 82 82 ARG H H 82 8.940 8.940 8.540 0.400 18818 2747 1 5 . 1 1 83 83 SER N N 83 115.700 115.700 114.813 0.887 18818 2748 1 5 . 1 1 83 83 SER HA H 83 4.510 4.510 4.323 0.187 18818 2749 1 5 . 1 1 83 83 SER C C 83 175.800 175.800 176.739 -0.939 18818 2750 1 5 . 1 1 83 83 SER CA C 83 61.700 61.700 61.392 0.308 18818 2751 1 5 . 1 1 83 83 SER CB C 83 62.700 62.700 63.057 -0.357 18818 2752 1 5 . 1 1 83 83 SER H H 83 7.610 7.610 7.814 -0.204 18818 2753 1 5 . 1 1 84 84 PHE N N 84 122.200 122.200 123.410 -1.210 18818 2754 1 5 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.242 -0.022 18818 2755 1 5 . 1 1 84 84 PHE C C 84 175.000 175.000 176.377 -1.377 18818 2756 1 5 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.090 -1.091 18818 2757 1 5 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.413 -0.213 18818 2758 1 5 . 1 1 84 84 PHE H H 84 7.490 7.490 7.703 -0.213 18818 2759 1 5 . 1 1 85 85 TRP N N 85 120.700 120.700 120.308 0.392 18818 2760 1 5 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.103 -0.343 18818 2761 1 5 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.553 -0.753 18818 2762 1 5 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.682 -0.482 18818 2763 1 5 . 1 1 85 85 TRP H H 85 8.770 8.770 8.698 0.072 18818 2764 1 5 . 1 1 86 86 GLU N N 86 119.100 119.100 117.633 1.467 18818 2765 1 5 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.955 0.125 18818 2766 1 5 . 1 1 86 86 GLU C C 86 179.100 179.100 179.036 0.064 18818 2767 1 5 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.339 -0.039 18818 2768 1 5 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.097 0.403 18818 2769 1 5 . 1 1 86 86 GLU H H 86 8.150 8.150 8.405 -0.255 18818 2770 1 5 . 1 1 87 87 LEU N N 87 120.800 120.800 120.010 0.790 18818 2771 1 5 . 1 1 87 87 LEU HA H 87 4.050 4.050 3.973 0.077 18818 2772 1 5 . 1 1 87 87 LEU C C 87 178.900 178.900 178.325 0.575 18818 2773 1 5 . 1 1 87 87 LEU CA C 87 57.900 57.900 58.084 -0.184 18818 2774 1 5 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.842 -0.542 18818 2775 1 5 . 1 1 87 87 LEU H H 87 7.600 7.600 7.474 0.126 18818 2776 1 5 . 1 1 88 88 ILE N N 88 115.200 115.200 119.018 -3.818 18818 2777 1 5 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.556 0.024 18818 2778 1 5 . 1 1 88 88 ILE C C 88 177.300 177.300 177.693 -0.393 18818 2779 1 5 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.535 -1.535 18818 2780 1 5 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.963 -1.363 18818 2781 1 5 . 1 1 88 88 ILE H H 88 7.960 7.960 6.927 1.033 18818 2782 1 5 . 1 1 89 89 GLY N N 89 108.100 108.100 107.318 0.782 18818 2783 1 5 . 1 1 89 89 GLY C C 89 175.700 175.700 175.180 0.520 18818 2784 1 5 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.172 -1.772 18818 2785 1 5 . 1 1 89 89 GLY H H 89 7.620 7.620 8.374 -0.754 18818 2786 1 5 . 1 1 90 90 GLU N N 90 120.000 120.000 121.934 -1.934 18818 2787 1 5 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.193 -0.233 18818 2788 1 5 . 1 1 90 90 GLU C C 90 179.100 179.100 179.010 0.090 18818 2789 1 5 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.007 0.193 18818 2790 1 5 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.446 -0.646 18818 2791 1 5 . 1 1 90 90 GLU H H 90 7.410 7.410 7.513 -0.103 18818 2792 1 5 . 1 1 91 91 ALA N N 91 122.400 122.400 123.575 -1.175 18818 2793 1 5 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.908 0.112 18818 2794 1 5 . 1 1 91 91 ALA C C 91 178.700 178.700 178.726 -0.026 18818 2795 1 5 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.982 -0.982 18818 2796 1 5 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.302 -0.302 18818 2797 1 5 . 1 1 91 91 ALA H H 91 7.610 7.610 8.284 -0.674 18818 2798 1 5 . 1 1 92 92 ALA N N 92 118.000 118.000 116.929 1.071 18818 2799 1 5 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.480 -0.810 18818 2800 1 5 . 1 1 92 92 ALA C C 92 177.900 177.900 177.832 0.068 18818 2801 1 5 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.330 0.570 18818 2802 1 5 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.411 -0.511 18818 2803 1 5 . 1 1 92 92 ALA H H 92 7.740 7.740 7.870 -0.130 18818 2804 1 5 . 1 1 93 93 LYS N N 93 114.600 114.600 116.495 -1.895 18818 2805 1 5 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.399 -0.629 18818 2806 1 5 . 1 1 93 93 LYS C C 93 177.000 177.000 177.710 -0.710 18818 2807 1 5 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.825 0.675 18818 2808 1 5 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.587 -0.787 18818 2809 1 5 . 1 1 93 93 LYS H H 93 7.200 7.200 7.773 -0.573 18818 2810 1 5 . 1 1 94 94 SER N N 94 113.000 113.000 114.846 -1.846 18818 2811 1 5 . 1 1 94 94 SER HA H 94 4.450 4.450 4.337 0.113 18818 2812 1 5 . 1 1 94 94 SER C C 94 174.500 174.500 175.068 -0.568 18818 2813 1 5 . 1 1 94 94 SER CA C 94 58.800 58.800 60.811 -2.011 18818 2814 1 5 . 1 1 94 94 SER CB C 94 63.900 63.900 64.282 -0.382 18818 2815 1 5 . 1 1 94 94 SER H H 94 7.530 7.530 7.791 -0.261 18818 2816 1 5 . 1 1 95 95 VAL N N 95 122.100 122.100 120.548 1.552 18818 2817 1 5 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.251 -0.311 18818 2818 1 5 . 1 1 95 95 VAL C C 95 175.400 175.400 173.614 1.786 18818 2819 1 5 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.136 2.064 18818 2820 1 5 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.060 -1.560 18818 2821 1 5 . 1 1 95 95 VAL H H 95 7.440 7.440 7.943 -0.503 18818 2822 1 5 . 1 1 96 96 LYS N N 96 126.300 126.300 126.685 -0.385 18818 2823 1 5 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.600 -0.200 18818 2824 1 5 . 1 1 96 96 LYS C C 96 176.000 176.000 175.220 0.780 18818 2825 1 5 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.324 1.176 18818 2826 1 5 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.772 -2.272 18818 2827 1 5 . 1 1 96 96 LYS H H 96 8.470 8.470 8.241 0.229 18818 2828 1 5 . 1 1 97 97 LEU N N 97 123.400 123.400 122.677 0.723 18818 2829 1 5 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.310 0.100 18818 2830 1 5 . 1 1 97 97 LEU C C 97 176.700 176.700 177.776 -1.076 18818 2831 1 5 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.241 -0.841 18818 2832 1 5 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.960 -0.660 18818 2833 1 5 . 1 1 97 97 LEU H H 97 8.140 8.140 8.507 -0.367 18818 2834 1 5 . 1 1 98 98 GLU N N 98 121.400 121.400 126.139 -4.739 18818 2835 1 5 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.329 0.011 18818 2836 1 5 . 1 1 98 98 GLU C C 98 175.900 175.900 175.715 0.185 18818 2837 1 5 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.088 -0.888 18818 2838 1 5 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.236 1.863 18818 2839 1 5 . 1 1 98 98 GLU H H 98 8.320 8.320 8.805 -0.485 18818 2840 1 5 . 1 1 99 99 ARG N N 99 122.800 122.800 121.124 1.676 18818 2841 1 5 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.764 0.046 18818 2842 1 5 . 1 1 99 99 ARG C C 99 173.900 173.900 174.202 -0.302 18818 2843 1 5 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.900 -0.300 18818 2844 1 5 . 1 1 99 99 ARG CB C 99 29.900 29.900 31.733 -1.833 18818 2845 1 5 . 1 1 99 99 ARG H H 99 8.280 8.280 8.023 0.257 18818 2846 1 5 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.441 0.079 18818 2847 1 5 . 1 1 100 100 PRO C C 100 176.700 176.700 175.936 0.764 18818 2848 1 5 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.027 -0.227 18818 2849 1 5 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.269 -0.569 18818 2850 1 5 . 1 1 101 101 VAL N N 101 120.500 120.500 120.657 -0.157 18818 2851 1 5 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.325 -0.195 18818 2852 1 5 . 1 1 101 101 VAL C C 101 176.000 176.000 175.974 0.026 18818 2853 1 5 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.657 0.443 18818 2854 1 5 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.012 -1.812 18818 2855 1 5 . 1 1 101 101 VAL H H 101 8.230 8.230 8.085 0.145 18818 2856 1 5 . 1 1 102 102 ARG N N 102 124.600 124.600 129.195 -4.595 18818 2857 1 5 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.483 -0.063 18818 2858 1 5 . 1 1 102 102 ARG C C 102 176.400 176.400 176.173 0.227 18818 2859 1 5 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.699 0.201 18818 2860 1 5 . 1 1 102 102 ARG CB C 102 30.700 30.700 29.467 1.233 18818 2861 1 5 . 1 1 102 102 ARG H H 102 8.390 8.390 8.815 -0.425 18818 2862 1 5 . 1 1 103 103 GLY N N 103 110.400 110.400 110.827 -0.427 18818 2863 1 5 . 1 1 103 103 GLY C C 103 172.900 172.900 174.168 -1.268 18818 2864 1 5 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.744 0.256 18818 2865 1 5 . 1 1 103 103 GLY H H 103 8.400 8.400 8.437 -0.037 18818 2866 1 6 . 1 1 5 5 ARG N N 5 124.100 124.100 122.462 1.638 18818 2867 1 6 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.563 -0.513 18818 2868 1 6 . 1 1 5 5 ARG C C 5 173.800 173.800 175.070 -1.270 18818 2869 1 6 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.612 0.388 18818 2870 1 6 . 1 1 5 5 ARG CB C 5 30.700 30.700 29.541 1.159 18818 2871 1 6 . 1 1 5 5 ARG H H 5 8.570 8.570 8.506 0.064 18818 2872 1 6 . 1 1 6 6 SER N N 6 117.500 117.500 118.374 -0.874 18818 2873 1 6 . 1 1 6 6 SER HA H 6 4.510 4.510 4.328 0.182 18818 2874 1 6 . 1 1 6 6 SER C C 6 174.100 174.100 174.427 -0.327 18818 2875 1 6 . 1 1 6 6 SER CA C 6 58.000 58.000 58.970 -0.970 18818 2876 1 6 . 1 1 6 6 SER CB C 6 63.700 63.700 63.778 -0.078 18818 2877 1 6 . 1 1 6 6 SER H H 6 8.370 8.370 8.235 0.135 18818 2878 1 6 . 1 1 7 7 ALA N N 7 125.900 125.900 128.496 -2.596 18818 2879 1 6 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.509 -0.109 18818 2880 1 6 . 1 1 7 7 ALA C C 7 177.200 177.200 176.611 0.589 18818 2881 1 6 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.014 0.586 18818 2882 1 6 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.132 -0.132 18818 2883 1 6 . 1 1 7 7 ALA H H 7 8.410 8.410 8.438 -0.028 18818 2884 1 6 . 1 1 8 8 ASN N N 8 117.400 117.400 123.574 -6.174 18818 2885 1 6 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.726 0.044 18818 2886 1 6 . 1 1 8 8 ASN C C 8 174.900 174.900 175.224 -0.324 18818 2887 1 6 . 1 1 8 8 ASN CA C 8 52.900 52.900 52.778 0.122 18818 2888 1 6 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.868 -1.068 18818 2889 1 6 . 1 1 8 8 ASN H H 8 8.360 8.360 8.181 0.179 18818 2890 1 6 . 1 1 9 9 ALA N N 9 124.400 124.400 121.600 2.800 18818 2891 1 6 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.260 0.090 18818 2892 1 6 . 1 1 9 9 ALA C C 9 177.800 177.800 178.161 -0.361 18818 2893 1 6 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.230 -1.530 18818 2894 1 6 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.782 0.118 18818 2895 1 6 . 1 1 9 9 ALA H H 9 8.270 8.270 8.500 -0.230 18818 2896 1 6 . 1 1 10 10 GLU N N 10 119.300 119.300 116.083 3.217 18818 2897 1 6 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.134 0.176 18818 2898 1 6 . 1 1 10 10 GLU C C 10 176.400 176.400 177.041 -0.641 18818 2899 1 6 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.509 -1.609 18818 2900 1 6 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.238 0.362 18818 2901 1 6 . 1 1 10 10 GLU H H 10 8.470 8.470 8.560 -0.090 18818 2902 1 6 . 1 1 11 11 ASP N N 11 120.600 120.600 116.645 3.955 18818 2903 1 6 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.663 -0.053 18818 2904 1 6 . 1 1 11 11 ASP C C 11 176.100 176.100 176.323 -0.223 18818 2905 1 6 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.315 -0.015 18818 2906 1 6 . 1 1 11 11 ASP CB C 11 40.800 40.800 43.959 -3.159 18818 2907 1 6 . 1 1 11 11 ASP H H 11 8.200 8.200 7.646 0.554 18818 2908 1 6 . 1 1 12 12 ALA N N 12 123.800 123.800 122.864 0.936 18818 2909 1 6 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.596 0.494 18818 2910 1 6 . 1 1 12 12 ALA C C 12 177.800 177.800 176.797 1.003 18818 2911 1 6 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.072 -0.572 18818 2912 1 6 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.031 0.769 18818 2913 1 6 . 1 1 12 12 ALA H H 12 8.070 8.070 8.226 -0.156 18818 2914 1 6 . 1 1 13 13 GLN N N 13 118.500 118.500 115.808 2.692 18818 2915 1 6 . 1 1 13 13 GLN HA H 13 4.270 4.270 3.821 0.449 18818 2916 1 6 . 1 1 13 13 GLN C C 13 175.700 175.700 175.870 -0.170 18818 2917 1 6 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.713 -0.813 18818 2918 1 6 . 1 1 13 13 GLN CB C 13 29.100 29.100 26.385 2.715 18818 2919 1 6 . 1 1 13 13 GLN H H 13 8.230 8.230 8.625 -0.395 18818 2920 1 6 . 1 1 14 14 GLU N N 14 120.600 120.600 117.618 2.982 18818 2921 1 6 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.278 0.022 18818 2922 1 6 . 1 1 14 14 GLU C C 14 175.800 175.800 176.453 -0.653 18818 2923 1 6 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.775 -0.975 18818 2924 1 6 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.415 -0.515 18818 2925 1 6 . 1 1 14 14 GLU H H 14 8.100 8.100 8.621 -0.521 18818 2926 1 6 . 1 1 15 15 PHE N N 15 121.100 121.100 118.554 2.546 18818 2927 1 6 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.608 0.272 18818 2928 1 6 . 1 1 15 15 PHE C C 15 176.900 176.900 176.737 0.163 18818 2929 1 6 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.810 -0.510 18818 2930 1 6 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.376 -0.076 18818 2931 1 6 . 1 1 15 15 PHE H H 15 8.030 8.030 7.949 0.081 18818 2932 1 6 . 1 1 16 16 SER N N 16 119.400 119.400 117.086 2.314 18818 2933 1 6 . 1 1 16 16 SER HA H 16 4.850 4.850 4.367 0.483 18818 2934 1 6 . 1 1 16 16 SER C C 16 174.800 174.800 175.221 -0.421 18818 2935 1 6 . 1 1 16 16 SER CA C 16 57.000 57.000 59.240 -2.240 18818 2936 1 6 . 1 1 16 16 SER CB C 16 65.600 65.600 63.886 1.714 18818 2937 1 6 . 1 1 16 16 SER H H 16 9.530 9.530 9.329 0.201 18818 2938 1 6 . 1 1 17 17 ASP N N 17 121.300 121.300 122.827 -1.527 18818 2939 1 6 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.420 0.130 18818 2940 1 6 . 1 1 17 17 ASP C C 17 179.700 179.700 178.642 1.058 18818 2941 1 6 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.740 0.260 18818 2942 1 6 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.663 -1.163 18818 2943 1 6 . 1 1 17 17 ASP H H 17 9.270 9.270 8.927 0.343 18818 2944 1 6 . 1 1 18 18 VAL N N 18 120.600 120.600 118.791 1.809 18818 2945 1 6 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.935 -0.255 18818 2946 1 6 . 1 1 18 18 VAL C C 18 176.900 176.900 177.055 -0.155 18818 2947 1 6 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.493 2.007 18818 2948 1 6 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.993 -0.093 18818 2949 1 6 . 1 1 18 18 VAL H H 18 8.230 8.230 7.948 0.282 18818 2950 1 6 . 1 1 19 19 GLU N N 19 121.000 121.000 120.145 0.855 18818 2951 1 6 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.174 -0.434 18818 2952 1 6 . 1 1 19 19 GLU C C 19 178.600 178.600 178.875 -0.275 18818 2953 1 6 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.179 0.821 18818 2954 1 6 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.675 -0.975 18818 2955 1 6 . 1 1 19 19 GLU H H 19 8.180 8.180 7.696 0.484 18818 2956 1 6 . 1 1 20 20 ARG N N 20 118.100 118.100 118.481 -0.381 18818 2957 1 6 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.624 -0.324 18818 2958 1 6 . 1 1 20 20 ARG C C 20 178.700 178.700 178.069 0.631 18818 2959 1 6 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.832 0.268 18818 2960 1 6 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.970 -0.270 18818 2961 1 6 . 1 1 20 20 ARG H H 20 8.920 8.920 8.807 0.113 18818 2962 1 6 . 1 1 21 21 ALA N N 21 123.800 123.800 122.776 1.024 18818 2963 1 6 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.209 0.211 18818 2964 1 6 . 1 1 21 21 ALA C C 21 179.300 179.300 179.477 -0.177 18818 2965 1 6 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.929 0.271 18818 2966 1 6 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.078 -0.179 18818 2967 1 6 . 1 1 21 21 ALA H H 21 8.060 8.060 7.737 0.323 18818 2968 1 6 . 1 1 22 22 ILE N N 22 118.200 118.200 118.792 -0.592 18818 2969 1 6 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.725 -0.005 18818 2970 1 6 . 1 1 22 22 ILE C C 22 177.500 177.500 178.247 -0.747 18818 2971 1 6 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.284 0.716 18818 2972 1 6 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.785 -0.385 18818 2973 1 6 . 1 1 22 22 ILE H H 22 8.010 8.010 7.535 0.475 18818 2974 1 6 . 1 1 23 23 GLU N N 23 120.100 120.100 119.849 0.251 18818 2975 1 6 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.075 -0.115 18818 2976 1 6 . 1 1 23 23 GLU C C 23 178.000 178.000 179.343 -1.343 18818 2977 1 6 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.983 0.317 18818 2978 1 6 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.413 0.087 18818 2979 1 6 . 1 1 23 23 GLU H H 23 8.450 8.450 7.960 0.490 18818 2980 1 6 . 1 1 24 24 THR N N 24 117.300 117.300 116.578 0.722 18818 2981 1 6 . 1 1 24 24 THR HA H 24 4.010 4.010 4.122 -0.112 18818 2982 1 6 . 1 1 24 24 THR C C 24 177.000 177.000 176.632 0.368 18818 2983 1 6 . 1 1 24 24 THR CA C 24 67.100 67.100 67.177 -0.077 18818 2984 1 6 . 1 1 24 24 THR CB C 24 68.200 68.200 69.054 -0.854 18818 2985 1 6 . 1 1 24 24 THR H H 24 8.720 8.720 7.953 0.767 18818 2986 1 6 . 1 1 25 25 LEU N N 25 123.400 123.400 120.166 3.234 18818 2987 1 6 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.500 -0.220 18818 2988 1 6 . 1 1 25 25 LEU C C 25 178.200 178.200 178.061 0.139 18818 2989 1 6 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.934 1.367 18818 2990 1 6 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.888 -0.188 18818 2991 1 6 . 1 1 25 25 LEU H H 25 8.150 8.150 7.906 0.244 18818 2992 1 6 . 1 1 26 26 ILE N N 26 119.500 119.500 119.837 -0.337 18818 2993 1 6 . 1 1 26 26 ILE HA H 26 4.000 4.000 4.065 -0.065 18818 2994 1 6 . 1 1 26 26 ILE C C 26 177.900 177.900 178.285 -0.385 18818 2995 1 6 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.394 0.706 18818 2996 1 6 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.278 -0.978 18818 2997 1 6 . 1 1 26 26 ILE H H 26 8.510 8.510 8.298 0.212 18818 2998 1 6 . 1 1 27 27 LYS N N 27 120.500 120.500 120.575 -0.075 18818 2999 1 6 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.210 -0.060 18818 3000 1 6 . 1 1 27 27 LYS C C 27 179.600 179.600 178.881 0.719 18818 3001 1 6 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.492 0.608 18818 3002 1 6 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.434 0.566 18818 3003 1 6 . 1 1 27 27 LYS H H 27 9.000 9.000 8.689 0.311 18818 3004 1 6 . 1 1 28 28 ASN N N 28 117.300 117.300 117.435 -0.135 18818 3005 1 6 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.692 -0.132 18818 3006 1 6 . 1 1 28 28 ASN C C 28 176.000 176.000 177.358 -1.358 18818 3007 1 6 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.218 1.482 18818 3008 1 6 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.627 1.673 18818 3009 1 6 . 1 1 28 28 ASN H H 28 7.990 7.990 7.802 0.188 18818 3010 1 6 . 1 1 29 29 PHE N N 29 119.100 119.100 121.771 -2.671 18818 3011 1 6 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.434 0.476 18818 3012 1 6 . 1 1 29 29 PHE C C 29 176.200 176.200 177.377 -1.177 18818 3013 1 6 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.516 -0.316 18818 3014 1 6 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.559 0.041 18818 3015 1 6 . 1 1 29 29 PHE H H 29 7.990 7.990 8.203 -0.213 18818 3016 1 6 . 1 1 30 30 HIS N N 30 114.700 114.700 117.343 -2.643 18818 3017 1 6 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.424 -0.104 18818 3018 1 6 . 1 1 30 30 HIS C C 30 177.400 177.400 176.610 0.790 18818 3019 1 6 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.978 -0.478 18818 3020 1 6 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.613 -0.013 18818 3021 1 6 . 1 1 30 30 HIS H H 30 8.180 8.180 7.545 0.635 18818 3022 1 6 . 1 1 31 31 GLN N N 31 118.500 118.500 116.784 1.716 18818 3023 1 6 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.139 -0.059 18818 3024 1 6 . 1 1 31 31 GLN C C 31 176.600 176.600 176.624 -0.024 18818 3025 1 6 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.372 0.428 18818 3026 1 6 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.287 -0.887 18818 3027 1 6 . 1 1 31 31 GLN H H 31 8.280 8.280 8.380 -0.100 18818 3028 1 6 . 1 1 32 32 TYR N N 32 115.700 115.700 117.320 -1.620 18818 3029 1 6 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.543 -0.333 18818 3030 1 6 . 1 1 32 32 TYR C C 32 174.800 174.800 176.706 -1.906 18818 3031 1 6 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.125 1.575 18818 3032 1 6 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.278 -1.578 18818 3033 1 6 . 1 1 32 32 TYR H H 32 7.410 7.410 7.467 -0.057 18818 3034 1 6 . 1 1 33 33 SER N N 33 114.000 114.000 117.353 -3.353 18818 3035 1 6 . 1 1 33 33 SER HA H 33 4.530 4.530 4.464 0.066 18818 3036 1 6 . 1 1 33 33 SER C C 33 175.000 175.000 175.169 -0.169 18818 3037 1 6 . 1 1 33 33 SER CA C 33 57.200 57.200 59.132 -1.932 18818 3038 1 6 . 1 1 33 33 SER CB C 33 63.200 63.200 60.816 2.384 18818 3039 1 6 . 1 1 33 33 SER H H 33 7.260 7.260 8.215 -0.955 18818 3040 1 6 . 1 1 34 34 VAL N N 34 126.600 126.600 115.057 11.543 18818 3041 1 6 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.056 -0.046 18818 3042 1 6 . 1 1 34 34 VAL C C 34 177.800 177.800 176.513 1.287 18818 3043 1 6 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.858 0.542 18818 3044 1 6 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.753 0.347 18818 3045 1 6 . 1 1 34 34 VAL H H 34 8.490 8.490 7.732 0.758 18818 3046 1 6 . 1 1 35 35 GLU N N 35 122.100 122.100 119.605 2.495 18818 3047 1 6 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.471 -0.221 18818 3048 1 6 . 1 1 35 35 GLU C C 35 177.800 177.800 177.760 0.040 18818 3049 1 6 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.441 1.059 18818 3050 1 6 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.882 -1.082 18818 3051 1 6 . 1 1 35 35 GLU H H 35 8.980 8.980 8.844 0.136 18818 3052 1 6 . 1 1 36 36 GLY N N 36 108.500 108.500 107.023 1.477 18818 3053 1 6 . 1 1 36 36 GLY C C 36 175.000 175.000 175.084 -0.084 18818 3054 1 6 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.555 -0.255 18818 3055 1 6 . 1 1 36 36 GLY H H 36 8.490 8.490 8.215 0.275 18818 3056 1 6 . 1 1 37 37 GLY N N 37 108.700 108.700 107.219 1.481 18818 3057 1 6 . 1 1 37 37 GLY C C 37 174.100 174.100 174.893 -0.793 18818 3058 1 6 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.153 0.647 18818 3059 1 6 . 1 1 37 37 GLY H H 37 8.140 8.140 7.802 0.338 18818 3060 1 6 . 1 1 38 38 LYS N N 38 118.000 118.000 114.433 3.567 18818 3061 1 6 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.814 0.656 18818 3062 1 6 . 1 1 38 38 LYS C C 38 176.000 176.000 176.100 -0.100 18818 3063 1 6 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.219 -2.119 18818 3064 1 6 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.199 1.501 18818 3065 1 6 . 1 1 38 38 LYS H H 38 8.050 8.050 7.855 0.195 18818 3066 1 6 . 1 1 39 39 GLU N N 39 118.100 118.100 115.752 2.348 18818 3067 1 6 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.592 -0.032 18818 3068 1 6 . 1 1 39 39 GLU C C 39 175.600 175.600 176.617 -1.017 18818 3069 1 6 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.064 -0.264 18818 3070 1 6 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.206 -1.006 18818 3071 1 6 . 1 1 39 39 GLU H H 39 8.630 8.630 8.238 0.392 18818 3072 1 6 . 1 1 40 40 THR N N 40 108.100 108.100 111.877 -3.777 18818 3073 1 6 . 1 1 40 40 THR HA H 40 5.160 5.160 4.839 0.321 18818 3074 1 6 . 1 1 40 40 THR C C 40 173.400 173.400 173.403 -0.003 18818 3075 1 6 . 1 1 40 40 THR CA C 40 59.300 59.300 59.866 -0.566 18818 3076 1 6 . 1 1 40 40 THR CB C 40 72.100 72.100 72.064 0.035 18818 3077 1 6 . 1 1 40 40 THR H H 40 7.490 7.490 7.731 -0.241 18818 3078 1 6 . 1 1 41 41 LEU N N 41 120.700 120.700 121.245 -0.545 18818 3079 1 6 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.843 0.197 18818 3080 1 6 . 1 1 41 41 LEU C C 41 177.000 177.000 175.270 1.730 18818 3081 1 6 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.965 -0.665 18818 3082 1 6 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.635 -0.335 18818 3083 1 6 . 1 1 41 41 LEU H H 41 8.660 8.660 8.424 0.236 18818 3084 1 6 . 1 1 42 42 THR N N 42 113.500 113.500 120.435 -6.935 18818 3085 1 6 . 1 1 42 42 THR HA H 42 5.000 5.000 4.881 0.119 18818 3086 1 6 . 1 1 42 42 THR C C 42 174.100 174.100 174.201 -0.101 18818 3087 1 6 . 1 1 42 42 THR CA C 42 59.800 59.800 58.829 0.971 18818 3088 1 6 . 1 1 42 42 THR CB C 42 68.100 68.100 70.673 -2.573 18818 3089 1 6 . 1 1 42 42 THR H H 42 9.130 9.130 8.990 0.140 18818 3090 1 6 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.136 0.014 18818 3091 1 6 . 1 1 43 43 PRO C C 43 178.600 178.600 178.464 0.136 18818 3092 1 6 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.933 0.267 18818 3093 1 6 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.713 -0.013 18818 3094 1 6 . 1 1 44 44 SER N N 44 111.600 111.600 112.830 -1.230 18818 3095 1 6 . 1 1 44 44 SER HA H 44 4.170 4.170 4.187 -0.017 18818 3096 1 6 . 1 1 44 44 SER C C 44 176.200 176.200 176.704 -0.504 18818 3097 1 6 . 1 1 44 44 SER CA C 44 61.500 61.500 61.964 -0.464 18818 3098 1 6 . 1 1 44 44 SER CB C 44 62.200 62.200 62.953 -0.753 18818 3099 1 6 . 1 1 44 44 SER H H 44 8.090 8.090 7.950 0.140 18818 3100 1 6 . 1 1 45 45 GLU N N 45 123.900 123.900 120.909 2.991 18818 3101 1 6 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.376 -0.116 18818 3102 1 6 . 1 1 45 45 GLU C C 45 179.000 179.000 178.461 0.539 18818 3103 1 6 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.114 0.986 18818 3104 1 6 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.748 -0.048 18818 3105 1 6 . 1 1 45 45 GLU H H 45 7.700 7.700 7.790 -0.090 18818 3106 1 6 . 1 1 46 46 LEU N N 46 118.900 118.900 123.124 -4.224 18818 3107 1 6 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.051 0.029 18818 3108 1 6 . 1 1 46 46 LEU C C 46 177.600 177.600 178.686 -1.086 18818 3109 1 6 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.171 -0.871 18818 3110 1 6 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.632 -0.732 18818 3111 1 6 . 1 1 46 46 LEU H H 46 8.400 8.400 8.214 0.186 18818 3112 1 6 . 1 1 47 47 ARG N N 47 119.300 119.300 116.655 2.645 18818 3113 1 6 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.976 -0.206 18818 3114 1 6 . 1 1 47 47 ARG C C 47 178.900 178.900 178.336 0.564 18818 3115 1 6 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.218 0.782 18818 3116 1 6 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.423 -0.423 18818 3117 1 6 . 1 1 47 47 ARG H H 47 8.260 8.260 8.057 0.203 18818 3118 1 6 . 1 1 48 48 ASP N N 48 122.300 122.300 121.161 1.139 18818 3119 1 6 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.442 -0.012 18818 3120 1 6 . 1 1 48 48 ASP C C 48 176.700 176.700 178.268 -1.568 18818 3121 1 6 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.494 0.006 18818 3122 1 6 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.191 -1.791 18818 3123 1 6 . 1 1 48 48 ASP H H 48 8.160 8.160 7.560 0.600 18818 3124 1 6 . 1 1 49 49 LEU N N 49 122.600 122.600 117.540 5.060 18818 3125 1 6 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.959 -0.789 18818 3126 1 6 . 1 1 49 49 LEU C C 49 179.100 179.100 178.835 0.265 18818 3127 1 6 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.386 1.614 18818 3128 1 6 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.006 0.294 18818 3129 1 6 . 1 1 49 49 LEU H H 49 7.980 7.980 7.852 0.128 18818 3130 1 6 . 1 1 50 50 VAL N N 50 118.200 118.200 121.477 -3.277 18818 3131 1 6 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.641 -0.091 18818 3132 1 6 . 1 1 50 50 VAL C C 50 178.800 178.800 178.252 0.548 18818 3133 1 6 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.103 -0.703 18818 3134 1 6 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.226 0.274 18818 3135 1 6 . 1 1 50 50 VAL H H 50 8.390 8.390 7.541 0.849 18818 3136 1 6 . 1 1 51 51 THR N N 51 115.000 115.000 113.800 1.200 18818 3137 1 6 . 1 1 51 51 THR HA H 51 3.990 3.990 4.142 -0.152 18818 3138 1 6 . 1 1 51 51 THR C C 51 176.000 176.000 176.245 -0.245 18818 3139 1 6 . 1 1 51 51 THR CA C 51 65.800 65.800 64.956 0.845 18818 3140 1 6 . 1 1 51 51 THR CB C 51 68.900 68.900 68.645 0.255 18818 3141 1 6 . 1 1 51 51 THR H H 51 8.480 8.480 8.194 0.286 18818 3142 1 6 . 1 1 52 52 GLN N N 52 116.400 116.400 119.667 -3.267 18818 3143 1 6 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.300 -0.050 18818 3144 1 6 . 1 1 52 52 GLN C C 52 178.300 178.300 177.679 0.621 18818 3145 1 6 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.076 -0.276 18818 3146 1 6 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.129 -0.629 18818 3147 1 6 . 1 1 52 52 GLN H H 52 8.180 8.180 8.124 0.056 18818 3148 1 6 . 1 1 53 53 GLN N N 53 112.100 112.100 115.219 -3.119 18818 3149 1 6 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.477 0.373 18818 3150 1 6 . 1 1 53 53 GLN C C 53 176.900 176.900 176.715 0.185 18818 3151 1 6 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.603 -1.603 18818 3152 1 6 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.378 -1.978 18818 3153 1 6 . 1 1 53 53 GLN H H 53 8.490 8.490 7.946 0.544 18818 3154 1 6 . 1 1 54 54 LEU N N 54 119.800 119.800 119.902 -0.102 18818 3155 1 6 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.909 0.341 18818 3156 1 6 . 1 1 54 54 LEU C C 54 176.900 176.900 175.000 1.900 18818 3157 1 6 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.451 1.449 18818 3158 1 6 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.638 0.462 18818 3159 1 6 . 1 1 54 54 LEU H H 54 7.920 7.920 7.605 0.315 18818 3160 1 6 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.284 0.186 18818 3161 1 6 . 1 1 55 55 PRO C C 55 178.300 178.300 177.290 1.010 18818 3162 1 6 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.716 0.584 18818 3163 1 6 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.672 -0.972 18818 3164 1 6 . 1 1 56 56 HIS N N 56 116.500 116.500 117.234 -0.734 18818 3165 1 6 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.647 -0.057 18818 3166 1 6 . 1 1 56 56 HIS C C 56 176.300 176.300 176.014 0.286 18818 3167 1 6 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.652 0.148 18818 3168 1 6 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.615 -1.315 18818 3169 1 6 . 1 1 56 56 HIS H H 56 9.770 9.770 8.251 1.519 18818 3170 1 6 . 1 1 57 57 LEU N N 57 116.600 116.600 118.164 -1.564 18818 3171 1 6 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.398 -0.068 18818 3172 1 6 . 1 1 57 57 LEU C C 57 176.400 176.400 176.046 0.354 18818 3173 1 6 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.490 -0.090 18818 3174 1 6 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.829 -0.329 18818 3175 1 6 . 1 1 57 57 LEU H H 57 7.830 7.830 8.060 -0.230 18818 3176 1 6 . 1 1 58 58 MET N N 58 118.000 118.000 117.520 0.480 18818 3177 1 6 . 1 1 58 58 MET HA H 58 4.540 4.540 4.884 -0.344 18818 3178 1 6 . 1 1 58 58 MET C C 58 171.600 171.600 173.286 -1.686 18818 3179 1 6 . 1 1 58 58 MET CA C 58 53.500 53.500 51.535 1.965 18818 3180 1 6 . 1 1 58 58 MET CB C 58 32.700 32.700 32.388 0.312 18818 3181 1 6 . 1 1 58 58 MET H H 58 7.970 7.970 7.836 0.134 18818 3182 1 6 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.560 -0.110 18818 3183 1 6 . 1 1 59 59 PRO C C 59 177.400 177.400 178.177 -0.777 18818 3184 1 6 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.399 0.701 18818 3185 1 6 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.692 -0.792 18818 3186 1 6 . 1 1 60 60 SER N N 60 114.900 114.900 116.842 -1.942 18818 3187 1 6 . 1 1 60 60 SER HA H 60 4.340 4.340 4.036 0.304 18818 3188 1 6 . 1 1 60 60 SER C C 60 174.700 174.700 176.152 -1.452 18818 3189 1 6 . 1 1 60 60 SER CA C 60 59.100 59.100 61.898 -2.799 18818 3190 1 6 . 1 1 60 60 SER CB C 60 63.200 63.200 62.890 0.310 18818 3191 1 6 . 1 1 60 60 SER H H 60 8.360 8.360 8.934 -0.574 18818 3192 1 6 . 1 1 61 61 ASN N N 61 120.800 120.800 118.750 2.050 18818 3193 1 6 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.568 0.242 18818 3194 1 6 . 1 1 61 61 ASN C C 61 175.500 175.500 175.932 -0.432 18818 3195 1 6 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.688 -1.688 18818 3196 1 6 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.150 -0.250 18818 3197 1 6 . 1 1 61 61 ASN H H 61 7.990 7.990 8.203 -0.213 18818 3198 1 6 . 1 1 62 62 CYS N N 62 117.800 117.800 116.953 0.847 18818 3199 1 6 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.380 0.210 18818 3200 1 6 . 1 1 62 62 CYS C C 62 175.300 175.300 175.262 0.038 18818 3201 1 6 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.133 -0.933 18818 3202 1 6 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.647 -1.247 18818 3203 1 6 . 1 1 62 62 CYS H H 62 8.260 8.260 7.630 0.630 18818 3204 1 6 . 1 1 63 63 GLY N N 63 111.300 111.300 110.339 0.961 18818 3205 1 6 . 1 1 63 63 GLY C C 63 175.600 175.600 174.951 0.649 18818 3206 1 6 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.047 1.254 18818 3207 1 6 . 1 1 63 63 GLY H H 63 8.520 8.520 7.920 0.600 18818 3208 1 6 . 1 1 64 64 LEU N N 64 122.400 122.400 119.349 3.051 18818 3209 1 6 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.234 -0.184 18818 3210 1 6 . 1 1 64 64 LEU C C 64 177.900 177.900 178.029 -0.129 18818 3211 1 6 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.061 1.539 18818 3212 1 6 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.292 0.708 18818 3213 1 6 . 1 1 64 64 LEU H H 64 7.910 7.910 7.950 -0.040 18818 3214 1 6 . 1 1 65 65 GLU N N 65 117.900 117.900 120.313 -2.413 18818 3215 1 6 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.924 -0.014 18818 3216 1 6 . 1 1 65 65 GLU C C 65 179.100 179.100 177.885 1.215 18818 3217 1 6 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.761 1.239 18818 3218 1 6 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.303 0.097 18818 3219 1 6 . 1 1 65 65 GLU H H 65 8.660 8.660 8.189 0.471 18818 3220 1 6 . 1 1 66 66 GLU N N 66 120.000 120.000 120.112 -0.112 18818 3221 1 6 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.067 0.053 18818 3222 1 6 . 1 1 66 66 GLU C C 66 178.200 178.200 178.592 -0.392 18818 3223 1 6 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.685 0.415 18818 3224 1 6 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.505 -0.405 18818 3225 1 6 . 1 1 66 66 GLU H H 66 8.220 8.220 7.920 0.300 18818 3226 1 6 . 1 1 67 67 LYS N N 67 119.300 119.300 118.473 0.827 18818 3227 1 6 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.076 0.064 18818 3228 1 6 . 1 1 67 67 LYS C C 67 179.400 179.400 178.787 0.613 18818 3229 1 6 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.495 0.405 18818 3230 1 6 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.015 0.085 18818 3231 1 6 . 1 1 67 67 LYS H H 67 7.780 7.780 7.512 0.268 18818 3232 1 6 . 1 1 68 68 ILE N N 68 118.400 118.400 119.805 -1.405 18818 3233 1 6 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.795 -0.075 18818 3234 1 6 . 1 1 68 68 ILE C C 68 177.800 177.800 177.676 0.124 18818 3235 1 6 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.574 -0.074 18818 3236 1 6 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.643 -0.343 18818 3237 1 6 . 1 1 68 68 ILE H H 68 8.230 8.230 7.306 0.924 18818 3238 1 6 . 1 1 69 69 ALA N N 69 122.900 122.900 119.599 3.301 18818 3239 1 6 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.080 0.140 18818 3240 1 6 . 1 1 69 69 ALA C C 69 179.600 179.600 177.992 1.608 18818 3241 1 6 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.572 -0.172 18818 3242 1 6 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.363 -0.463 18818 3243 1 6 . 1 1 69 69 ALA H H 69 8.070 8.070 8.139 -0.069 18818 3244 1 6 . 1 1 70 70 ASN N N 70 115.400 115.400 115.881 -0.481 18818 3245 1 6 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.679 0.191 18818 3246 1 6 . 1 1 70 70 ASN C C 70 176.500 176.500 176.973 -0.473 18818 3247 1 6 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.991 -0.691 18818 3248 1 6 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.691 -0.991 18818 3249 1 6 . 1 1 70 70 ASN H H 70 7.880 7.880 7.642 0.238 18818 3250 1 6 . 1 1 71 71 LEU N N 71 120.600 120.600 115.769 4.831 18818 3251 1 6 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.623 -0.293 18818 3252 1 6 . 1 1 71 71 LEU C C 71 178.300 178.300 177.805 0.495 18818 3253 1 6 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.267 1.033 18818 3254 1 6 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.273 0.027 18818 3255 1 6 . 1 1 71 71 LEU H H 71 7.820 7.820 7.603 0.217 18818 3256 1 6 . 1 1 72 72 GLY N N 72 106.800 106.800 108.200 -1.400 18818 3257 1 6 . 1 1 72 72 GLY C C 72 174.400 174.400 173.944 0.456 18818 3258 1 6 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.804 -0.104 18818 3259 1 6 . 1 1 72 72 GLY H H 72 8.240 8.240 7.952 0.288 18818 3260 1 6 . 1 1 73 73 SER N N 73 115.600 115.600 119.118 -3.518 18818 3261 1 6 . 1 1 73 73 SER HA H 73 4.570 4.570 4.538 0.032 18818 3262 1 6 . 1 1 73 73 SER C C 73 175.000 175.000 174.125 0.875 18818 3263 1 6 . 1 1 73 73 SER CA C 73 58.900 58.900 58.556 0.344 18818 3264 1 6 . 1 1 73 73 SER CB C 73 63.600 63.600 64.503 -0.903 18818 3265 1 6 . 1 1 73 73 SER H H 73 8.220 8.220 8.534 -0.314 18818 3266 1 6 . 1 1 74 74 CYS N N 74 119.300 119.300 123.178 -3.878 18818 3267 1 6 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.706 -0.056 18818 3268 1 6 . 1 1 74 74 CYS C C 74 174.500 174.500 174.851 -0.351 18818 3269 1 6 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.058 0.642 18818 3270 1 6 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.027 -1.327 18818 3271 1 6 . 1 1 74 74 CYS H H 74 8.260 8.260 8.389 -0.129 18818 3272 1 6 . 1 1 75 75 ASN N N 75 120.000 120.000 125.257 -5.257 18818 3273 1 6 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.522 0.318 18818 3274 1 6 . 1 1 75 75 ASN C C 75 174.700 174.700 175.644 -0.944 18818 3275 1 6 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.532 -1.732 18818 3276 1 6 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.734 0.166 18818 3277 1 6 . 1 1 75 75 ASN H H 75 8.430 8.430 9.079 -0.649 18818 3278 1 6 . 1 1 76 76 ASP N N 76 119.200 119.200 119.276 -0.076 18818 3279 1 6 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.644 0.026 18818 3280 1 6 . 1 1 76 76 ASP C C 76 175.500 175.500 177.426 -1.926 18818 3281 1 6 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.999 -1.599 18818 3282 1 6 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.151 -0.551 18818 3283 1 6 . 1 1 76 76 ASP H H 76 8.300 8.300 8.380 -0.080 18818 3284 1 6 . 1 1 77 77 SER N N 77 112.800 112.800 113.852 -1.052 18818 3285 1 6 . 1 1 77 77 SER HA H 77 4.260 4.260 4.486 -0.226 18818 3286 1 6 . 1 1 77 77 SER C C 77 173.300 173.300 174.226 -0.926 18818 3287 1 6 . 1 1 77 77 SER CA C 77 59.000 59.000 58.887 0.113 18818 3288 1 6 . 1 1 77 77 SER CB C 77 63.100 63.100 64.236 -1.136 18818 3289 1 6 . 1 1 77 77 SER H H 77 8.220 8.220 7.681 0.539 18818 3290 1 6 . 1 1 78 78 LYS N N 78 120.600 120.600 118.663 1.937 18818 3291 1 6 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.851 0.709 18818 3292 1 6 . 1 1 78 78 LYS C C 78 175.300 175.300 175.664 -0.364 18818 3293 1 6 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.566 -1.966 18818 3294 1 6 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.477 1.823 18818 3295 1 6 . 1 1 78 78 LYS H H 78 7.930 7.930 7.881 0.049 18818 3296 1 6 . 1 1 79 79 LEU N N 79 123.700 123.700 120.546 3.154 18818 3297 1 6 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.370 0.409 18818 3298 1 6 . 1 1 79 79 LEU C C 79 176.100 176.100 177.657 -1.557 18818 3299 1 6 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.861 -1.661 18818 3300 1 6 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.811 -0.811 18818 3301 1 6 . 1 1 79 79 LEU H H 79 9.020 9.020 8.421 0.599 18818 3302 1 6 . 1 1 80 80 GLU N N 80 121.200 121.200 118.569 2.631 18818 3303 1 6 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.851 0.049 18818 3304 1 6 . 1 1 80 80 GLU C C 80 177.100 177.100 176.699 0.401 18818 3305 1 6 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.956 0.244 18818 3306 1 6 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.637 -1.037 18818 3307 1 6 . 1 1 80 80 GLU H H 80 8.630 8.630 8.097 0.533 18818 3308 1 6 . 1 1 81 81 PHE N N 81 123.500 123.500 122.707 0.793 18818 3309 1 6 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.000 0.530 18818 3310 1 6 . 1 1 81 81 PHE C C 81 177.000 177.000 176.921 0.079 18818 3311 1 6 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.743 0.556 18818 3312 1 6 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.957 -0.457 18818 3313 1 6 . 1 1 81 81 PHE H H 81 9.360 9.360 8.716 0.644 18818 3314 1 6 . 1 1 82 82 ARG N N 82 116.500 116.500 118.784 -2.284 18818 3315 1 6 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.125 -0.085 18818 3316 1 6 . 1 1 82 82 ARG C C 82 178.000 178.000 178.637 -0.637 18818 3317 1 6 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.961 0.239 18818 3318 1 6 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.725 -0.525 18818 3319 1 6 . 1 1 82 82 ARG H H 82 8.940 8.940 9.065 -0.125 18818 3320 1 6 . 1 1 83 83 SER N N 83 115.700 115.700 115.288 0.412 18818 3321 1 6 . 1 1 83 83 SER HA H 83 4.510 4.510 4.293 0.217 18818 3322 1 6 . 1 1 83 83 SER C C 83 175.800 175.800 176.926 -1.126 18818 3323 1 6 . 1 1 83 83 SER CA C 83 61.700 61.700 61.705 -0.005 18818 3324 1 6 . 1 1 83 83 SER CB C 83 62.700 62.700 62.800 -0.100 18818 3325 1 6 . 1 1 83 83 SER H H 83 7.610 7.610 7.607 0.003 18818 3326 1 6 . 1 1 84 84 PHE N N 84 122.200 122.200 123.622 -1.422 18818 3327 1 6 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.254 -0.034 18818 3328 1 6 . 1 1 84 84 PHE C C 84 175.000 175.000 176.460 -1.460 18818 3329 1 6 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.347 -1.347 18818 3330 1 6 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.429 -0.229 18818 3331 1 6 . 1 1 84 84 PHE H H 84 7.490 7.490 7.815 -0.325 18818 3332 1 6 . 1 1 85 85 TRP N N 85 120.700 120.700 120.258 0.442 18818 3333 1 6 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.112 -0.352 18818 3334 1 6 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.576 -0.776 18818 3335 1 6 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.561 -0.360 18818 3336 1 6 . 1 1 85 85 TRP H H 85 8.770 8.770 8.167 0.603 18818 3337 1 6 . 1 1 86 86 GLU N N 86 119.100 119.100 118.000 1.100 18818 3338 1 6 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.837 0.243 18818 3339 1 6 . 1 1 86 86 GLU C C 86 179.100 179.100 179.053 0.047 18818 3340 1 6 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.776 -0.476 18818 3341 1 6 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.163 0.337 18818 3342 1 6 . 1 1 86 86 GLU H H 86 8.150 8.150 8.351 -0.201 18818 3343 1 6 . 1 1 87 87 LEU N N 87 120.800 120.800 119.334 1.466 18818 3344 1 6 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.101 -0.051 18818 3345 1 6 . 1 1 87 87 LEU C C 87 178.900 178.900 178.317 0.583 18818 3346 1 6 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.962 0.938 18818 3347 1 6 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.093 -0.793 18818 3348 1 6 . 1 1 87 87 LEU H H 87 7.600 7.600 7.453 0.147 18818 3349 1 6 . 1 1 88 88 ILE N N 88 115.200 115.200 119.531 -4.331 18818 3350 1 6 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.457 0.123 18818 3351 1 6 . 1 1 88 88 ILE C C 88 177.300 177.300 177.494 -0.194 18818 3352 1 6 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.784 -1.784 18818 3353 1 6 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.983 -1.383 18818 3354 1 6 . 1 1 88 88 ILE H H 88 7.960 7.960 6.928 1.032 18818 3355 1 6 . 1 1 89 89 GLY N N 89 108.100 108.100 107.392 0.708 18818 3356 1 6 . 1 1 89 89 GLY C C 89 175.700 175.700 175.156 0.544 18818 3357 1 6 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.807 -1.407 18818 3358 1 6 . 1 1 89 89 GLY H H 89 7.620 7.620 7.655 -0.035 18818 3359 1 6 . 1 1 90 90 GLU N N 90 120.000 120.000 120.907 -0.907 18818 3360 1 6 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.108 -0.148 18818 3361 1 6 . 1 1 90 90 GLU C C 90 179.100 179.100 179.000 0.100 18818 3362 1 6 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.924 0.276 18818 3363 1 6 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.680 -0.880 18818 3364 1 6 . 1 1 90 90 GLU H H 90 7.410 7.410 7.589 -0.179 18818 3365 1 6 . 1 1 91 91 ALA N N 91 122.400 122.400 123.009 -0.609 18818 3366 1 6 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.922 0.098 18818 3367 1 6 . 1 1 91 91 ALA C C 91 178.700 178.700 179.267 -0.567 18818 3368 1 6 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.911 -0.911 18818 3369 1 6 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.113 -0.113 18818 3370 1 6 . 1 1 91 91 ALA H H 91 7.610 7.610 7.802 -0.192 18818 3371 1 6 . 1 1 92 92 ALA N N 92 118.000 118.000 119.399 -1.399 18818 3372 1 6 . 1 1 92 92 ALA HA H 92 3.670 3.670 3.994 -0.324 18818 3373 1 6 . 1 1 92 92 ALA C C 92 177.900 177.900 179.582 -1.682 18818 3374 1 6 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.301 -0.401 18818 3375 1 6 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.128 -0.228 18818 3376 1 6 . 1 1 92 92 ALA H H 92 7.740 7.740 7.651 0.089 18818 3377 1 6 . 1 1 93 93 LYS N N 93 114.600 114.600 118.414 -3.814 18818 3378 1 6 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.085 -0.315 18818 3379 1 6 . 1 1 93 93 LYS C C 93 177.000 177.000 178.833 -1.833 18818 3380 1 6 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.121 -0.621 18818 3381 1 6 . 1 1 93 93 LYS CB C 93 31.800 31.800 31.689 0.111 18818 3382 1 6 . 1 1 93 93 LYS H H 93 7.200 7.200 7.763 -0.563 18818 3383 1 6 . 1 1 94 94 SER N N 94 113.000 113.000 113.767 -0.767 18818 3384 1 6 . 1 1 94 94 SER HA H 94 4.450 4.450 4.514 -0.064 18818 3385 1 6 . 1 1 94 94 SER C C 94 174.500 174.500 173.375 1.125 18818 3386 1 6 . 1 1 94 94 SER CA C 94 58.800 58.800 60.018 -1.218 18818 3387 1 6 . 1 1 94 94 SER CB C 94 63.900 63.900 64.290 -0.390 18818 3388 1 6 . 1 1 94 94 SER H H 94 7.530 7.530 7.743 -0.213 18818 3389 1 6 . 1 1 95 95 VAL N N 95 122.100 122.100 119.707 2.393 18818 3390 1 6 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.272 -0.332 18818 3391 1 6 . 1 1 95 95 VAL C C 95 175.400 175.400 173.905 1.495 18818 3392 1 6 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.371 1.829 18818 3393 1 6 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.416 -0.916 18818 3394 1 6 . 1 1 95 95 VAL H H 95 7.440 7.440 7.529 -0.089 18818 3395 1 6 . 1 1 96 96 LYS N N 96 126.300 126.300 126.269 0.031 18818 3396 1 6 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.595 -0.195 18818 3397 1 6 . 1 1 96 96 LYS C C 96 176.000 176.000 175.532 0.468 18818 3398 1 6 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.307 1.193 18818 3399 1 6 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.995 -3.495 18818 3400 1 6 . 1 1 96 96 LYS H H 96 8.470 8.470 8.148 0.322 18818 3401 1 6 . 1 1 97 97 LEU N N 97 123.400 123.400 124.255 -0.855 18818 3402 1 6 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.283 0.127 18818 3403 1 6 . 1 1 97 97 LEU C C 97 176.700 176.700 176.541 0.159 18818 3404 1 6 . 1 1 97 97 LEU CA C 97 54.400 54.400 56.064 -1.664 18818 3405 1 6 . 1 1 97 97 LEU CB C 97 42.300 42.300 41.202 1.098 18818 3406 1 6 . 1 1 97 97 LEU H H 97 8.140 8.140 8.495 -0.355 18818 3407 1 6 . 1 1 98 98 GLU N N 98 121.400 121.400 124.081 -2.681 18818 3408 1 6 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.016 0.324 18818 3409 1 6 . 1 1 98 98 GLU C C 98 175.900 175.900 174.933 0.967 18818 3410 1 6 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.585 -1.385 18818 3411 1 6 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.708 1.392 18818 3412 1 6 . 1 1 98 98 GLU H H 98 8.320 8.320 8.968 -0.648 18818 3413 1 6 . 1 1 99 99 ARG N N 99 122.800 122.800 118.755 4.045 18818 3414 1 6 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.784 0.026 18818 3415 1 6 . 1 1 99 99 ARG C C 99 173.900 173.900 173.991 -0.091 18818 3416 1 6 . 1 1 99 99 ARG CA C 99 53.600 53.600 52.069 1.531 18818 3417 1 6 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.534 -0.634 18818 3418 1 6 . 1 1 99 99 ARG H H 99 8.280 8.280 7.602 0.678 18818 3419 1 6 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.550 -0.030 18818 3420 1 6 . 1 1 100 100 PRO C C 100 176.700 176.700 176.069 0.631 18818 3421 1 6 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.611 0.189 18818 3422 1 6 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.035 -0.334 18818 3423 1 6 . 1 1 101 101 VAL N N 101 120.500 120.500 124.624 -4.124 18818 3424 1 6 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.378 -0.248 18818 3425 1 6 . 1 1 101 101 VAL C C 101 176.000 176.000 176.713 -0.713 18818 3426 1 6 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.553 0.547 18818 3427 1 6 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.587 -2.387 18818 3428 1 6 . 1 1 101 101 VAL H H 101 8.230 8.230 8.203 0.027 18818 3429 1 6 . 1 1 102 102 ARG N N 102 124.600 124.600 126.295 -1.695 18818 3430 1 6 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.058 0.362 18818 3431 1 6 . 1 1 102 102 ARG C C 102 176.400 176.400 176.453 -0.053 18818 3432 1 6 . 1 1 102 102 ARG CA C 102 55.900 55.900 58.443 -2.543 18818 3433 1 6 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.684 0.016 18818 3434 1 6 . 1 1 102 102 ARG H H 102 8.390 8.390 8.866 -0.476 18818 3435 1 6 . 1 1 103 103 GLY N N 103 110.400 110.400 102.633 7.767 18818 3436 1 6 . 1 1 103 103 GLY C C 103 172.900 172.900 172.535 0.365 18818 3437 1 6 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.756 0.244 18818 3438 1 6 . 1 1 103 103 GLY H H 103 8.400 8.400 8.164 0.236 18818 3439 1 7 . 1 1 5 5 ARG N N 5 124.100 124.100 120.743 3.357 18818 3440 1 7 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.258 -0.208 18818 3441 1 7 . 1 1 5 5 ARG C C 5 173.800 173.800 176.469 -2.669 18818 3442 1 7 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.833 -0.833 18818 3443 1 7 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.318 0.382 18818 3444 1 7 . 1 1 5 5 ARG H H 5 8.570 8.570 8.467 0.103 18818 3445 1 7 . 1 1 6 6 SER N N 6 117.500 117.500 113.854 3.646 18818 3446 1 7 . 1 1 6 6 SER HA H 6 4.510 4.510 4.086 0.424 18818 3447 1 7 . 1 1 6 6 SER C C 6 174.100 174.100 174.150 -0.050 18818 3448 1 7 . 1 1 6 6 SER CA C 6 58.000 58.000 58.469 -0.469 18818 3449 1 7 . 1 1 6 6 SER CB C 6 63.700 63.700 63.010 0.690 18818 3450 1 7 . 1 1 6 6 SER H H 6 8.370 8.370 7.880 0.490 18818 3451 1 7 . 1 1 7 7 ALA N N 7 125.900 125.900 121.254 4.646 18818 3452 1 7 . 1 1 7 7 ALA HA H 7 4.400 4.400 3.993 0.407 18818 3453 1 7 . 1 1 7 7 ALA C C 7 177.200 177.200 176.754 0.446 18818 3454 1 7 . 1 1 7 7 ALA CA C 7 52.600 52.600 53.257 -0.657 18818 3455 1 7 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.102 0.898 18818 3456 1 7 . 1 1 7 7 ALA H H 7 8.410 8.410 8.527 -0.117 18818 3457 1 7 . 1 1 8 8 ASN N N 8 117.400 117.400 117.129 0.271 18818 3458 1 7 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.514 0.256 18818 3459 1 7 . 1 1 8 8 ASN C C 8 174.900 174.900 175.721 -0.821 18818 3460 1 7 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.805 -0.905 18818 3461 1 7 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.254 0.546 18818 3462 1 7 . 1 1 8 8 ASN H H 8 8.360 8.360 8.102 0.258 18818 3463 1 7 . 1 1 9 9 ALA N N 9 124.400 124.400 124.966 -0.566 18818 3464 1 7 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.126 0.224 18818 3465 1 7 . 1 1 9 9 ALA C C 9 177.800 177.800 178.368 -0.568 18818 3466 1 7 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.847 -1.147 18818 3467 1 7 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.579 1.321 18818 3468 1 7 . 1 1 9 9 ALA H H 9 8.270 8.270 8.846 -0.576 18818 3469 1 7 . 1 1 10 10 GLU N N 10 119.300 119.300 118.732 0.568 18818 3470 1 7 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.155 0.155 18818 3471 1 7 . 1 1 10 10 GLU C C 10 176.400 176.400 177.383 -0.983 18818 3472 1 7 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.401 -1.501 18818 3473 1 7 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.655 -0.055 18818 3474 1 7 . 1 1 10 10 GLU H H 10 8.470 8.470 7.872 0.598 18818 3475 1 7 . 1 1 11 11 ASP N N 11 120.600 120.600 119.079 1.521 18818 3476 1 7 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.595 0.015 18818 3477 1 7 . 1 1 11 11 ASP C C 11 176.100 176.100 175.987 0.113 18818 3478 1 7 . 1 1 11 11 ASP CA C 11 54.300 54.300 55.028 -0.728 18818 3479 1 7 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.717 -0.917 18818 3480 1 7 . 1 1 11 11 ASP H H 11 8.200 8.200 7.776 0.424 18818 3481 1 7 . 1 1 12 12 ALA N N 12 123.800 123.800 121.781 2.019 18818 3482 1 7 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.037 0.053 18818 3483 1 7 . 1 1 12 12 ALA C C 12 177.800 177.800 175.995 1.805 18818 3484 1 7 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.027 -0.527 18818 3485 1 7 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.677 1.123 18818 3486 1 7 . 1 1 12 12 ALA H H 12 8.070 8.070 8.307 -0.237 18818 3487 1 7 . 1 1 13 13 GLN N N 13 118.500 118.500 116.151 2.349 18818 3488 1 7 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.287 -0.017 18818 3489 1 7 . 1 1 13 13 GLN C C 13 175.700 175.700 175.905 -0.205 18818 3490 1 7 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.249 0.651 18818 3491 1 7 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.327 -0.227 18818 3492 1 7 . 1 1 13 13 GLN H H 13 8.230 8.230 7.639 0.591 18818 3493 1 7 . 1 1 14 14 GLU N N 14 120.600 120.600 119.191 1.409 18818 3494 1 7 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.120 0.180 18818 3495 1 7 . 1 1 14 14 GLU C C 14 175.800 175.800 175.663 0.137 18818 3496 1 7 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.910 -1.110 18818 3497 1 7 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.671 0.229 18818 3498 1 7 . 1 1 14 14 GLU H H 14 8.100 8.100 7.818 0.282 18818 3499 1 7 . 1 1 15 15 PHE N N 15 121.100 121.100 118.141 2.959 18818 3500 1 7 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.830 0.050 18818 3501 1 7 . 1 1 15 15 PHE C C 15 176.900 176.900 176.918 -0.018 18818 3502 1 7 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.905 -0.605 18818 3503 1 7 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.847 -0.547 18818 3504 1 7 . 1 1 15 15 PHE H H 15 8.030 8.030 6.946 1.084 18818 3505 1 7 . 1 1 16 16 SER N N 16 119.400 119.400 117.611 1.789 18818 3506 1 7 . 1 1 16 16 SER HA H 16 4.850 4.850 4.409 0.441 18818 3507 1 7 . 1 1 16 16 SER C C 16 174.800 174.800 175.582 -0.782 18818 3508 1 7 . 1 1 16 16 SER CA C 16 57.000 57.000 58.157 -1.157 18818 3509 1 7 . 1 1 16 16 SER CB C 16 65.600 65.600 64.654 0.946 18818 3510 1 7 . 1 1 16 16 SER H H 16 9.530 9.530 8.677 0.853 18818 3511 1 7 . 1 1 17 17 ASP N N 17 121.300 121.300 121.370 -0.070 18818 3512 1 7 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.460 0.090 18818 3513 1 7 . 1 1 17 17 ASP C C 17 179.700 179.700 178.326 1.374 18818 3514 1 7 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.248 0.752 18818 3515 1 7 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.305 -0.805 18818 3516 1 7 . 1 1 17 17 ASP H H 17 9.270 9.270 8.843 0.427 18818 3517 1 7 . 1 1 18 18 VAL N N 18 120.600 120.600 119.838 0.762 18818 3518 1 7 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.742 -0.062 18818 3519 1 7 . 1 1 18 18 VAL C C 18 176.900 176.900 177.761 -0.861 18818 3520 1 7 . 1 1 18 18 VAL CA C 18 66.500 66.500 66.414 0.086 18818 3521 1 7 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.583 0.317 18818 3522 1 7 . 1 1 18 18 VAL H H 18 8.230 8.230 7.637 0.593 18818 3523 1 7 . 1 1 19 19 GLU N N 19 121.000 121.000 118.737 2.263 18818 3524 1 7 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.084 -0.344 18818 3525 1 7 . 1 1 19 19 GLU C C 19 178.600 178.600 178.987 -0.387 18818 3526 1 7 . 1 1 19 19 GLU CA C 19 60.000 60.000 58.752 1.248 18818 3527 1 7 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.686 -0.986 18818 3528 1 7 . 1 1 19 19 GLU H H 19 8.180 8.180 7.935 0.245 18818 3529 1 7 . 1 1 20 20 ARG N N 20 118.100 118.100 117.870 0.230 18818 3530 1 7 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.352 -0.052 18818 3531 1 7 . 1 1 20 20 ARG C C 20 178.700 178.700 178.223 0.477 18818 3532 1 7 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.552 0.548 18818 3533 1 7 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.154 -0.454 18818 3534 1 7 . 1 1 20 20 ARG H H 20 8.920 8.920 8.431 0.489 18818 3535 1 7 . 1 1 21 21 ALA N N 21 123.800 123.800 124.371 -0.571 18818 3536 1 7 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.141 0.279 18818 3537 1 7 . 1 1 21 21 ALA C C 21 179.300 179.300 179.417 -0.117 18818 3538 1 7 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.044 0.156 18818 3539 1 7 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.469 -0.569 18818 3540 1 7 . 1 1 21 21 ALA H H 21 8.060 8.060 8.020 0.040 18818 3541 1 7 . 1 1 22 22 ILE N N 22 118.200 118.200 117.864 0.336 18818 3542 1 7 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.674 0.046 18818 3543 1 7 . 1 1 22 22 ILE C C 22 177.500 177.500 178.032 -0.532 18818 3544 1 7 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.601 0.399 18818 3545 1 7 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.732 -0.332 18818 3546 1 7 . 1 1 22 22 ILE H H 22 8.010 8.010 8.115 -0.105 18818 3547 1 7 . 1 1 23 23 GLU N N 23 120.100 120.100 119.886 0.214 18818 3548 1 7 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.898 0.062 18818 3549 1 7 . 1 1 23 23 GLU C C 23 178.000 178.000 178.746 -0.746 18818 3550 1 7 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.787 0.513 18818 3551 1 7 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.432 0.068 18818 3552 1 7 . 1 1 23 23 GLU H H 23 8.450 8.450 8.114 0.336 18818 3553 1 7 . 1 1 24 24 THR N N 24 117.300 117.300 115.650 1.650 18818 3554 1 7 . 1 1 24 24 THR HA H 24 4.010 4.010 4.101 -0.091 18818 3555 1 7 . 1 1 24 24 THR C C 24 177.000 177.000 177.060 -0.060 18818 3556 1 7 . 1 1 24 24 THR CA C 24 67.100 67.100 66.853 0.247 18818 3557 1 7 . 1 1 24 24 THR CB C 24 68.200 68.200 68.768 -0.568 18818 3558 1 7 . 1 1 24 24 THR H H 24 8.720 8.720 8.337 0.383 18818 3559 1 7 . 1 1 25 25 LEU N N 25 123.400 123.400 118.052 5.348 18818 3560 1 7 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.535 -0.255 18818 3561 1 7 . 1 1 25 25 LEU C C 25 178.200 178.200 177.878 0.322 18818 3562 1 7 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.746 1.554 18818 3563 1 7 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.667 0.033 18818 3564 1 7 . 1 1 25 25 LEU H H 25 8.150 8.150 7.574 0.576 18818 3565 1 7 . 1 1 26 26 ILE N N 26 119.500 119.500 119.019 0.481 18818 3566 1 7 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.943 0.057 18818 3567 1 7 . 1 1 26 26 ILE C C 26 177.900 177.900 177.823 0.077 18818 3568 1 7 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.130 0.970 18818 3569 1 7 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.688 -1.388 18818 3570 1 7 . 1 1 26 26 ILE H H 26 8.510 8.510 7.425 1.085 18818 3571 1 7 . 1 1 27 27 LYS N N 27 120.500 120.500 120.512 -0.012 18818 3572 1 7 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.698 0.452 18818 3573 1 7 . 1 1 27 27 LYS C C 27 179.600 179.600 178.755 0.845 18818 3574 1 7 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.226 0.874 18818 3575 1 7 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.306 0.694 18818 3576 1 7 . 1 1 27 27 LYS H H 27 9.000 9.000 8.633 0.367 18818 3577 1 7 . 1 1 28 28 ASN N N 28 117.300 117.300 117.973 -0.673 18818 3578 1 7 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.853 -0.293 18818 3579 1 7 . 1 1 28 28 ASN C C 28 176.000 176.000 177.449 -1.449 18818 3580 1 7 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.422 1.278 18818 3581 1 7 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.701 1.599 18818 3582 1 7 . 1 1 28 28 ASN H H 28 7.990 7.990 8.034 -0.044 18818 3583 1 7 . 1 1 29 29 PHE N N 29 119.100 119.100 121.570 -2.470 18818 3584 1 7 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.908 0.002 18818 3585 1 7 . 1 1 29 29 PHE C C 29 176.200 176.200 177.145 -0.945 18818 3586 1 7 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.604 -0.404 18818 3587 1 7 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.911 -0.311 18818 3588 1 7 . 1 1 29 29 PHE H H 29 7.990 7.990 8.535 -0.545 18818 3589 1 7 . 1 1 30 30 HIS N N 30 114.700 114.700 117.978 -3.278 18818 3590 1 7 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.391 -0.071 18818 3591 1 7 . 1 1 30 30 HIS C C 30 177.400 177.400 177.047 0.353 18818 3592 1 7 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.281 -0.781 18818 3593 1 7 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.804 -0.204 18818 3594 1 7 . 1 1 30 30 HIS H H 30 8.180 8.180 7.859 0.321 18818 3595 1 7 . 1 1 31 31 GLN N N 31 118.500 118.500 118.247 0.253 18818 3596 1 7 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.106 -0.026 18818 3597 1 7 . 1 1 31 31 GLN C C 31 176.600 176.600 177.803 -1.203 18818 3598 1 7 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.357 -0.557 18818 3599 1 7 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.366 -0.966 18818 3600 1 7 . 1 1 31 31 GLN H H 31 8.280 8.280 8.028 0.252 18818 3601 1 7 . 1 1 32 32 TYR N N 32 115.700 115.700 117.379 -1.679 18818 3602 1 7 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.525 -0.315 18818 3603 1 7 . 1 1 32 32 TYR C C 32 174.800 174.800 174.350 0.450 18818 3604 1 7 . 1 1 32 32 TYR CA C 32 59.700 59.700 57.681 2.019 18818 3605 1 7 . 1 1 32 32 TYR CB C 32 38.700 38.700 38.472 0.228 18818 3606 1 7 . 1 1 32 32 TYR H H 32 7.410 7.410 7.724 -0.314 18818 3607 1 7 . 1 1 33 33 SER N N 33 114.000 114.000 113.268 0.732 18818 3608 1 7 . 1 1 33 33 SER HA H 33 4.530 4.530 4.420 0.110 18818 3609 1 7 . 1 1 33 33 SER C C 33 175.000 175.000 174.129 0.871 18818 3610 1 7 . 1 1 33 33 SER CA C 33 57.200 57.200 57.190 0.010 18818 3611 1 7 . 1 1 33 33 SER CB C 33 63.200 63.200 62.715 0.485 18818 3612 1 7 . 1 1 33 33 SER H H 33 7.260 7.260 7.417 -0.157 18818 3613 1 7 . 1 1 34 34 VAL N N 34 126.600 126.600 121.940 4.660 18818 3614 1 7 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.960 0.050 18818 3615 1 7 . 1 1 34 34 VAL C C 34 177.800 177.800 176.597 1.203 18818 3616 1 7 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.121 0.279 18818 3617 1 7 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.990 0.110 18818 3618 1 7 . 1 1 34 34 VAL H H 34 8.490 8.490 7.967 0.523 18818 3619 1 7 . 1 1 35 35 GLU N N 35 122.100 122.100 119.626 2.474 18818 3620 1 7 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.333 -0.083 18818 3621 1 7 . 1 1 35 35 GLU C C 35 177.800 177.800 177.674 0.126 18818 3622 1 7 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.798 0.702 18818 3623 1 7 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.643 -0.843 18818 3624 1 7 . 1 1 35 35 GLU H H 35 8.980 8.980 8.401 0.579 18818 3625 1 7 . 1 1 36 36 GLY N N 36 108.500 108.500 106.852 1.648 18818 3626 1 7 . 1 1 36 36 GLY C C 36 175.000 175.000 176.044 -1.044 18818 3627 1 7 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.673 0.627 18818 3628 1 7 . 1 1 36 36 GLY H H 36 8.490 8.490 8.000 0.490 18818 3629 1 7 . 1 1 37 37 GLY N N 37 108.700 108.700 106.956 1.744 18818 3630 1 7 . 1 1 37 37 GLY C C 37 174.100 174.100 174.600 -0.500 18818 3631 1 7 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.724 1.076 18818 3632 1 7 . 1 1 37 37 GLY H H 37 8.140 8.140 8.463 -0.323 18818 3633 1 7 . 1 1 38 38 LYS N N 38 118.000 118.000 118.411 -0.411 18818 3634 1 7 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.906 0.564 18818 3635 1 7 . 1 1 38 38 LYS C C 38 176.000 176.000 176.586 -0.586 18818 3636 1 7 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.354 -3.254 18818 3637 1 7 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.557 1.143 18818 3638 1 7 . 1 1 38 38 LYS H H 38 8.050 8.050 7.845 0.205 18818 3639 1 7 . 1 1 39 39 GLU N N 39 118.100 118.100 115.827 2.273 18818 3640 1 7 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.343 0.217 18818 3641 1 7 . 1 1 39 39 GLU C C 39 175.600 175.600 176.099 -0.499 18818 3642 1 7 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.367 -0.567 18818 3643 1 7 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.124 0.076 18818 3644 1 7 . 1 1 39 39 GLU H H 39 8.630 8.630 8.139 0.491 18818 3645 1 7 . 1 1 40 40 THR N N 40 108.100 108.100 109.451 -1.351 18818 3646 1 7 . 1 1 40 40 THR HA H 40 5.160 5.160 4.959 0.201 18818 3647 1 7 . 1 1 40 40 THR C C 40 173.400 173.400 173.336 0.064 18818 3648 1 7 . 1 1 40 40 THR CA C 40 59.300 59.300 59.671 -0.371 18818 3649 1 7 . 1 1 40 40 THR CB C 40 72.100 72.100 71.862 0.238 18818 3650 1 7 . 1 1 40 40 THR H H 40 7.490 7.490 7.638 -0.148 18818 3651 1 7 . 1 1 41 41 LEU N N 41 120.700 120.700 122.572 -1.872 18818 3652 1 7 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.579 0.461 18818 3653 1 7 . 1 1 41 41 LEU C C 41 177.000 177.000 175.428 1.572 18818 3654 1 7 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.351 -0.051 18818 3655 1 7 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.477 -0.177 18818 3656 1 7 . 1 1 41 41 LEU H H 41 8.660 8.660 8.537 0.123 18818 3657 1 7 . 1 1 42 42 THR N N 42 113.500 113.500 110.337 3.163 18818 3658 1 7 . 1 1 42 42 THR HA H 42 5.000 5.000 4.962 0.038 18818 3659 1 7 . 1 1 42 42 THR C C 42 174.100 174.100 173.150 0.950 18818 3660 1 7 . 1 1 42 42 THR CA C 42 59.800 59.800 59.206 0.594 18818 3661 1 7 . 1 1 42 42 THR CB C 42 68.100 68.100 70.278 -2.178 18818 3662 1 7 . 1 1 42 42 THR H H 42 9.130 9.130 8.360 0.770 18818 3663 1 7 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.127 0.023 18818 3664 1 7 . 1 1 43 43 PRO C C 43 178.600 178.600 178.986 -0.386 18818 3665 1 7 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.300 -0.100 18818 3666 1 7 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.778 -0.078 18818 3667 1 7 . 1 1 44 44 SER N N 44 111.600 111.600 112.641 -1.041 18818 3668 1 7 . 1 1 44 44 SER HA H 44 4.170 4.170 4.248 -0.078 18818 3669 1 7 . 1 1 44 44 SER C C 44 176.200 176.200 176.444 -0.244 18818 3670 1 7 . 1 1 44 44 SER CA C 44 61.500 61.500 61.778 -0.278 18818 3671 1 7 . 1 1 44 44 SER CB C 44 62.200 62.200 62.920 -0.720 18818 3672 1 7 . 1 1 44 44 SER H H 44 8.090 8.090 8.678 -0.588 18818 3673 1 7 . 1 1 45 45 GLU N N 45 123.900 123.900 121.642 2.258 18818 3674 1 7 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.281 -0.021 18818 3675 1 7 . 1 1 45 45 GLU C C 45 179.000 179.000 178.419 0.581 18818 3676 1 7 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.025 1.075 18818 3677 1 7 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.473 0.227 18818 3678 1 7 . 1 1 45 45 GLU H H 45 7.700 7.700 7.998 -0.298 18818 3679 1 7 . 1 1 46 46 LEU N N 46 118.900 118.900 122.898 -3.998 18818 3680 1 7 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.953 0.127 18818 3681 1 7 . 1 1 46 46 LEU C C 46 177.600 177.600 178.717 -1.117 18818 3682 1 7 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.421 -1.121 18818 3683 1 7 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.999 -1.099 18818 3684 1 7 . 1 1 46 46 LEU H H 46 8.400 8.400 8.343 0.057 18818 3685 1 7 . 1 1 47 47 ARG N N 47 119.300 119.300 118.168 1.132 18818 3686 1 7 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.875 -0.105 18818 3687 1 7 . 1 1 47 47 ARG C C 47 178.900 178.900 178.535 0.365 18818 3688 1 7 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.992 0.008 18818 3689 1 7 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.895 -0.895 18818 3690 1 7 . 1 1 47 47 ARG H H 47 8.260 8.260 8.192 0.068 18818 3691 1 7 . 1 1 48 48 ASP N N 48 122.300 122.300 119.811 2.489 18818 3692 1 7 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.457 -0.027 18818 3693 1 7 . 1 1 48 48 ASP C C 48 176.700 176.700 178.515 -1.815 18818 3694 1 7 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.376 0.124 18818 3695 1 7 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.007 -1.607 18818 3696 1 7 . 1 1 48 48 ASP H H 48 8.160 8.160 8.103 0.057 18818 3697 1 7 . 1 1 49 49 LEU N N 49 122.600 122.600 118.423 4.177 18818 3698 1 7 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.833 -0.663 18818 3699 1 7 . 1 1 49 49 LEU C C 49 179.100 179.100 178.308 0.792 18818 3700 1 7 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.616 1.384 18818 3701 1 7 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.098 0.202 18818 3702 1 7 . 1 1 49 49 LEU H H 49 7.980 7.980 7.702 0.278 18818 3703 1 7 . 1 1 50 50 VAL N N 50 118.200 118.200 120.922 -2.722 18818 3704 1 7 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.636 -0.086 18818 3705 1 7 . 1 1 50 50 VAL C C 50 178.800 178.800 178.393 0.407 18818 3706 1 7 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.995 -0.595 18818 3707 1 7 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.232 0.268 18818 3708 1 7 . 1 1 50 50 VAL H H 50 8.390 8.390 7.946 0.444 18818 3709 1 7 . 1 1 51 51 THR N N 51 115.000 115.000 114.386 0.614 18818 3710 1 7 . 1 1 51 51 THR HA H 51 3.990 3.990 4.109 -0.119 18818 3711 1 7 . 1 1 51 51 THR C C 51 176.000 176.000 176.294 -0.294 18818 3712 1 7 . 1 1 51 51 THR CA C 51 65.800 65.800 65.164 0.636 18818 3713 1 7 . 1 1 51 51 THR CB C 51 68.900 68.900 68.813 0.087 18818 3714 1 7 . 1 1 51 51 THR H H 51 8.480 8.480 7.984 0.496 18818 3715 1 7 . 1 1 52 52 GLN N N 52 116.400 116.400 118.474 -2.074 18818 3716 1 7 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.363 -0.113 18818 3717 1 7 . 1 1 52 52 GLN C C 52 178.300 178.300 177.346 0.954 18818 3718 1 7 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.665 0.135 18818 3719 1 7 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.694 -1.194 18818 3720 1 7 . 1 1 52 52 GLN H H 52 8.180 8.180 7.683 0.497 18818 3721 1 7 . 1 1 53 53 GLN N N 53 112.100 112.100 115.215 -3.115 18818 3722 1 7 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.580 0.270 18818 3723 1 7 . 1 1 53 53 GLN C C 53 176.900 176.900 176.276 0.624 18818 3724 1 7 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.006 -1.006 18818 3725 1 7 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.274 -2.874 18818 3726 1 7 . 1 1 53 53 GLN H H 53 8.490 8.490 8.082 0.408 18818 3727 1 7 . 1 1 54 54 LEU N N 54 119.800 119.800 120.947 -1.147 18818 3728 1 7 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.902 0.348 18818 3729 1 7 . 1 1 54 54 LEU C C 54 176.900 176.900 174.943 1.957 18818 3730 1 7 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.512 1.388 18818 3731 1 7 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.012 0.088 18818 3732 1 7 . 1 1 54 54 LEU H H 54 7.920 7.920 7.639 0.281 18818 3733 1 7 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.274 0.196 18818 3734 1 7 . 1 1 55 55 PRO C C 55 178.300 178.300 177.277 1.023 18818 3735 1 7 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.924 0.376 18818 3736 1 7 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.703 -1.004 18818 3737 1 7 . 1 1 56 56 HIS N N 56 116.500 116.500 116.656 -0.156 18818 3738 1 7 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.501 0.089 18818 3739 1 7 . 1 1 56 56 HIS C C 56 176.300 176.300 176.607 -0.307 18818 3740 1 7 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.152 -0.352 18818 3741 1 7 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.375 -1.075 18818 3742 1 7 . 1 1 56 56 HIS H H 56 9.770 9.770 8.073 1.697 18818 3743 1 7 . 1 1 57 57 LEU N N 57 116.600 116.600 118.847 -2.247 18818 3744 1 7 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.323 0.007 18818 3745 1 7 . 1 1 57 57 LEU C C 57 176.400 176.400 175.611 0.789 18818 3746 1 7 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.925 -0.525 18818 3747 1 7 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.553 -0.053 18818 3748 1 7 . 1 1 57 57 LEU H H 57 7.830 7.830 7.897 -0.067 18818 3749 1 7 . 1 1 58 58 MET N N 58 118.000 118.000 116.263 1.737 18818 3750 1 7 . 1 1 58 58 MET HA H 58 4.540 4.540 4.858 -0.318 18818 3751 1 7 . 1 1 58 58 MET C C 58 171.600 171.600 173.329 -1.729 18818 3752 1 7 . 1 1 58 58 MET CA C 58 53.500 53.500 51.704 1.796 18818 3753 1 7 . 1 1 58 58 MET CB C 58 32.700 32.700 32.883 -0.183 18818 3754 1 7 . 1 1 58 58 MET H H 58 7.970 7.970 7.638 0.332 18818 3755 1 7 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.487 -0.037 18818 3756 1 7 . 1 1 59 59 PRO C C 59 177.400 177.400 178.322 -0.922 18818 3757 1 7 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.656 0.444 18818 3758 1 7 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.620 -0.720 18818 3759 1 7 . 1 1 60 60 SER N N 60 114.900 114.900 116.368 -1.468 18818 3760 1 7 . 1 1 60 60 SER HA H 60 4.340 4.340 4.020 0.320 18818 3761 1 7 . 1 1 60 60 SER C C 60 174.700 174.700 176.357 -1.657 18818 3762 1 7 . 1 1 60 60 SER CA C 60 59.100 59.100 61.746 -2.646 18818 3763 1 7 . 1 1 60 60 SER CB C 60 63.200 63.200 62.720 0.480 18818 3764 1 7 . 1 1 60 60 SER H H 60 8.360 8.360 8.875 -0.515 18818 3765 1 7 . 1 1 61 61 ASN N N 61 120.800 120.800 119.497 1.303 18818 3766 1 7 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.496 0.314 18818 3767 1 7 . 1 1 61 61 ASN C C 61 175.500 175.500 176.099 -0.599 18818 3768 1 7 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.530 -2.530 18818 3769 1 7 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.357 -0.457 18818 3770 1 7 . 1 1 61 61 ASN H H 61 7.990 7.990 8.090 -0.100 18818 3771 1 7 . 1 1 62 62 CYS N N 62 117.800 117.800 116.619 1.181 18818 3772 1 7 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.375 0.215 18818 3773 1 7 . 1 1 62 62 CYS C C 62 175.300 175.300 174.668 0.632 18818 3774 1 7 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.143 -0.943 18818 3775 1 7 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.500 -0.100 18818 3776 1 7 . 1 1 62 62 CYS H H 62 8.260 8.260 7.751 0.509 18818 3777 1 7 . 1 1 63 63 GLY N N 63 111.300 111.300 108.470 2.830 18818 3778 1 7 . 1 1 63 63 GLY C C 63 175.600 175.600 175.638 -0.038 18818 3779 1 7 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.124 1.176 18818 3780 1 7 . 1 1 63 63 GLY H H 63 8.520 8.520 7.740 0.780 18818 3781 1 7 . 1 1 64 64 LEU N N 64 122.400 122.400 120.531 1.869 18818 3782 1 7 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.171 -0.121 18818 3783 1 7 . 1 1 64 64 LEU C C 64 177.900 177.900 177.294 0.606 18818 3784 1 7 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.382 1.218 18818 3785 1 7 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.396 0.604 18818 3786 1 7 . 1 1 64 64 LEU H H 64 7.910 7.910 8.302 -0.392 18818 3787 1 7 . 1 1 65 65 GLU N N 65 117.900 117.900 116.411 1.489 18818 3788 1 7 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.998 -0.088 18818 3789 1 7 . 1 1 65 65 GLU C C 65 179.100 179.100 177.295 1.805 18818 3790 1 7 . 1 1 65 65 GLU CA C 65 60.000 60.000 57.941 2.059 18818 3791 1 7 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.013 -0.613 18818 3792 1 7 . 1 1 65 65 GLU H H 65 8.660 8.660 8.306 0.354 18818 3793 1 7 . 1 1 66 66 GLU N N 66 120.000 120.000 120.780 -0.780 18818 3794 1 7 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.075 0.045 18818 3795 1 7 . 1 1 66 66 GLU C C 66 178.200 178.200 178.639 -0.439 18818 3796 1 7 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.982 0.118 18818 3797 1 7 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.471 -0.371 18818 3798 1 7 . 1 1 66 66 GLU H H 66 8.220 8.220 7.982 0.238 18818 3799 1 7 . 1 1 67 67 LYS N N 67 119.300 119.300 116.688 2.612 18818 3800 1 7 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.155 -0.015 18818 3801 1 7 . 1 1 67 67 LYS C C 67 179.400 179.400 178.298 1.102 18818 3802 1 7 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.146 1.754 18818 3803 1 7 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.861 0.239 18818 3804 1 7 . 1 1 67 67 LYS H H 67 7.780 7.780 7.616 0.164 18818 3805 1 7 . 1 1 68 68 ILE N N 68 118.400 118.400 119.662 -1.262 18818 3806 1 7 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.894 -0.174 18818 3807 1 7 . 1 1 68 68 ILE C C 68 177.800 177.800 177.942 -0.142 18818 3808 1 7 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.654 0.846 18818 3809 1 7 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.096 -0.796 18818 3810 1 7 . 1 1 68 68 ILE H H 68 8.230 8.230 7.594 0.636 18818 3811 1 7 . 1 1 69 69 ALA N N 69 122.900 122.900 121.817 1.083 18818 3812 1 7 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.037 0.183 18818 3813 1 7 . 1 1 69 69 ALA C C 69 179.600 179.600 178.624 0.976 18818 3814 1 7 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.844 -0.444 18818 3815 1 7 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.424 -0.523 18818 3816 1 7 . 1 1 69 69 ALA H H 69 8.070 8.070 8.159 -0.089 18818 3817 1 7 . 1 1 70 70 ASN N N 70 115.400 115.400 115.640 -0.240 18818 3818 1 7 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.676 0.194 18818 3819 1 7 . 1 1 70 70 ASN C C 70 176.500 176.500 176.642 -0.142 18818 3820 1 7 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.583 -0.283 18818 3821 1 7 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.618 -0.918 18818 3822 1 7 . 1 1 70 70 ASN H H 70 7.880 7.880 7.965 -0.085 18818 3823 1 7 . 1 1 71 71 LEU N N 71 120.600 120.600 117.662 2.938 18818 3824 1 7 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.618 -0.288 18818 3825 1 7 . 1 1 71 71 LEU C C 71 178.300 178.300 177.259 1.041 18818 3826 1 7 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.612 1.688 18818 3827 1 7 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.285 0.015 18818 3828 1 7 . 1 1 71 71 LEU H H 71 7.820 7.820 7.348 0.472 18818 3829 1 7 . 1 1 72 72 GLY N N 72 106.800 106.800 108.460 -1.660 18818 3830 1 7 . 1 1 72 72 GLY C C 72 174.400 174.400 175.658 -1.258 18818 3831 1 7 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.890 0.810 18818 3832 1 7 . 1 1 72 72 GLY H H 72 8.240 8.240 7.716 0.524 18818 3833 1 7 . 1 1 73 73 SER N N 73 115.600 115.600 118.290 -2.690 18818 3834 1 7 . 1 1 73 73 SER HA H 73 4.570 4.570 4.222 0.348 18818 3835 1 7 . 1 1 73 73 SER C C 73 175.000 175.000 174.646 0.354 18818 3836 1 7 . 1 1 73 73 SER CA C 73 58.900 58.900 60.628 -1.728 18818 3837 1 7 . 1 1 73 73 SER CB C 73 63.600 63.600 63.628 -0.028 18818 3838 1 7 . 1 1 73 73 SER H H 73 8.220 8.220 8.766 -0.546 18818 3839 1 7 . 1 1 74 74 CYS N N 74 119.300 119.300 118.470 0.830 18818 3840 1 7 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.572 0.078 18818 3841 1 7 . 1 1 74 74 CYS C C 74 174.500 174.500 173.359 1.141 18818 3842 1 7 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.032 0.668 18818 3843 1 7 . 1 1 74 74 CYS CB C 74 27.700 27.700 27.714 -0.014 18818 3844 1 7 . 1 1 74 74 CYS H H 74 8.260 8.260 7.800 0.460 18818 3845 1 7 . 1 1 75 75 ASN N N 75 120.000 120.000 122.085 -2.085 18818 3846 1 7 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.689 0.151 18818 3847 1 7 . 1 1 75 75 ASN C C 75 174.700 174.700 175.236 -0.536 18818 3848 1 7 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.725 0.075 18818 3849 1 7 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.415 -0.515 18818 3850 1 7 . 1 1 75 75 ASN H H 75 8.430 8.430 8.549 -0.119 18818 3851 1 7 . 1 1 76 76 ASP N N 76 119.200 119.200 120.484 -1.284 18818 3852 1 7 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.403 0.267 18818 3853 1 7 . 1 1 76 76 ASP C C 76 175.500 175.500 177.697 -2.197 18818 3854 1 7 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.855 -2.455 18818 3855 1 7 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.002 -0.402 18818 3856 1 7 . 1 1 76 76 ASP H H 76 8.300 8.300 8.747 -0.447 18818 3857 1 7 . 1 1 77 77 SER N N 77 112.800 112.800 112.147 0.653 18818 3858 1 7 . 1 1 77 77 SER HA H 77 4.260 4.260 4.225 0.035 18818 3859 1 7 . 1 1 77 77 SER C C 77 173.300 173.300 174.753 -1.453 18818 3860 1 7 . 1 1 77 77 SER CA C 77 59.000 59.000 59.116 -0.116 18818 3861 1 7 . 1 1 77 77 SER CB C 77 63.100 63.100 63.056 0.044 18818 3862 1 7 . 1 1 77 77 SER H H 77 8.220 8.220 8.108 0.112 18818 3863 1 7 . 1 1 78 78 LYS N N 78 120.600 120.600 117.655 2.945 18818 3864 1 7 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.018 0.542 18818 3865 1 7 . 1 1 78 78 LYS C C 78 175.300 175.300 176.690 -1.390 18818 3866 1 7 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.286 -1.686 18818 3867 1 7 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.339 0.961 18818 3868 1 7 . 1 1 78 78 LYS H H 78 7.930 7.930 7.346 0.584 18818 3869 1 7 . 1 1 79 79 LEU N N 79 123.700 123.700 120.488 3.212 18818 3870 1 7 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.374 0.406 18818 3871 1 7 . 1 1 79 79 LEU C C 79 176.100 176.100 177.072 -0.972 18818 3872 1 7 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.920 -1.720 18818 3873 1 7 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.881 -0.881 18818 3874 1 7 . 1 1 79 79 LEU H H 79 9.020 9.020 8.621 0.399 18818 3875 1 7 . 1 1 80 80 GLU N N 80 121.200 121.200 117.771 3.429 18818 3876 1 7 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.135 -0.235 18818 3877 1 7 . 1 1 80 80 GLU C C 80 177.100 177.100 177.197 -0.097 18818 3878 1 7 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.578 0.622 18818 3879 1 7 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.834 -1.234 18818 3880 1 7 . 1 1 80 80 GLU H H 80 8.630 8.630 8.312 0.318 18818 3881 1 7 . 1 1 81 81 PHE N N 81 123.500 123.500 123.065 0.435 18818 3882 1 7 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.807 0.723 18818 3883 1 7 . 1 1 81 81 PHE C C 81 177.000 177.000 176.831 0.169 18818 3884 1 7 . 1 1 81 81 PHE CA C 81 62.300 62.300 63.043 -0.743 18818 3885 1 7 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.264 -0.764 18818 3886 1 7 . 1 1 81 81 PHE H H 81 9.360 9.360 8.942 0.418 18818 3887 1 7 . 1 1 82 82 ARG N N 82 116.500 116.500 116.139 0.361 18818 3888 1 7 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.139 -0.099 18818 3889 1 7 . 1 1 82 82 ARG C C 82 178.000 178.000 177.602 0.398 18818 3890 1 7 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.543 0.657 18818 3891 1 7 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.538 -0.338 18818 3892 1 7 . 1 1 82 82 ARG H H 82 8.940 8.940 8.676 0.264 18818 3893 1 7 . 1 1 83 83 SER N N 83 115.700 115.700 115.468 0.232 18818 3894 1 7 . 1 1 83 83 SER HA H 83 4.510 4.510 4.455 0.055 18818 3895 1 7 . 1 1 83 83 SER C C 83 175.800 175.800 176.106 -0.306 18818 3896 1 7 . 1 1 83 83 SER CA C 83 61.700 61.700 60.559 1.141 18818 3897 1 7 . 1 1 83 83 SER CB C 83 62.700 62.700 64.029 -1.329 18818 3898 1 7 . 1 1 83 83 SER H H 83 7.610 7.610 7.773 -0.163 18818 3899 1 7 . 1 1 84 84 PHE N N 84 122.200 122.200 123.925 -1.725 18818 3900 1 7 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.254 -0.034 18818 3901 1 7 . 1 1 84 84 PHE C C 84 175.000 175.000 176.768 -1.768 18818 3902 1 7 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.344 -1.344 18818 3903 1 7 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.522 -0.322 18818 3904 1 7 . 1 1 84 84 PHE H H 84 7.490 7.490 8.358 -0.868 18818 3905 1 7 . 1 1 85 85 TRP N N 85 120.700 120.700 119.415 1.285 18818 3906 1 7 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.192 -0.432 18818 3907 1 7 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.760 -0.960 18818 3908 1 7 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.563 -0.363 18818 3909 1 7 . 1 1 85 85 TRP H H 85 8.770 8.770 8.192 0.578 18818 3910 1 7 . 1 1 86 86 GLU N N 86 119.100 119.100 117.767 1.333 18818 3911 1 7 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.875 0.205 18818 3912 1 7 . 1 1 86 86 GLU C C 86 179.100 179.100 178.723 0.377 18818 3913 1 7 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.091 0.209 18818 3914 1 7 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.369 0.131 18818 3915 1 7 . 1 1 86 86 GLU H H 86 8.150 8.150 7.830 0.320 18818 3916 1 7 . 1 1 87 87 LEU N N 87 120.800 120.800 119.306 1.494 18818 3917 1 7 . 1 1 87 87 LEU HA H 87 4.050 4.050 3.913 0.137 18818 3918 1 7 . 1 1 87 87 LEU C C 87 178.900 178.900 178.685 0.215 18818 3919 1 7 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.958 0.942 18818 3920 1 7 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.592 -0.291 18818 3921 1 7 . 1 1 87 87 LEU H H 87 7.600 7.600 7.287 0.313 18818 3922 1 7 . 1 1 88 88 ILE N N 88 115.200 115.200 119.462 -4.262 18818 3923 1 7 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.466 0.114 18818 3924 1 7 . 1 1 88 88 ILE C C 88 177.300 177.300 177.678 -0.378 18818 3925 1 7 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.966 -1.966 18818 3926 1 7 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.908 -1.308 18818 3927 1 7 . 1 1 88 88 ILE H H 88 7.960 7.960 7.207 0.753 18818 3928 1 7 . 1 1 89 89 GLY N N 89 108.100 108.100 107.789 0.311 18818 3929 1 7 . 1 1 89 89 GLY C C 89 175.700 175.700 175.082 0.618 18818 3930 1 7 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.733 -1.333 18818 3931 1 7 . 1 1 89 89 GLY H H 89 7.620 7.620 7.485 0.135 18818 3932 1 7 . 1 1 90 90 GLU N N 90 120.000 120.000 121.735 -1.735 18818 3933 1 7 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.074 -0.114 18818 3934 1 7 . 1 1 90 90 GLU C C 90 179.100 179.100 178.624 0.476 18818 3935 1 7 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.646 0.554 18818 3936 1 7 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.554 -0.754 18818 3937 1 7 . 1 1 90 90 GLU H H 90 7.410 7.410 7.535 -0.125 18818 3938 1 7 . 1 1 91 91 ALA N N 91 122.400 122.400 123.288 -0.888 18818 3939 1 7 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.952 0.068 18818 3940 1 7 . 1 1 91 91 ALA C C 91 178.700 178.700 178.714 -0.014 18818 3941 1 7 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.753 -0.753 18818 3942 1 7 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.300 -0.300 18818 3943 1 7 . 1 1 91 91 ALA H H 91 7.610 7.610 7.618 -0.008 18818 3944 1 7 . 1 1 92 92 ALA N N 92 118.000 118.000 116.921 1.079 18818 3945 1 7 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.163 -0.493 18818 3946 1 7 . 1 1 92 92 ALA C C 92 177.900 177.900 177.204 0.696 18818 3947 1 7 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.194 0.706 18818 3948 1 7 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.248 -0.348 18818 3949 1 7 . 1 1 92 92 ALA H H 92 7.740 7.740 7.838 -0.098 18818 3950 1 7 . 1 1 93 93 LYS N N 93 114.600 114.600 116.217 -1.617 18818 3951 1 7 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.245 -0.475 18818 3952 1 7 . 1 1 93 93 LYS C C 93 177.000 177.000 177.319 -0.319 18818 3953 1 7 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.276 0.224 18818 3954 1 7 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.696 -0.896 18818 3955 1 7 . 1 1 93 93 LYS H H 93 7.200 7.200 7.419 -0.219 18818 3956 1 7 . 1 1 94 94 SER N N 94 113.000 113.000 113.767 -0.767 18818 3957 1 7 . 1 1 94 94 SER HA H 94 4.450 4.450 4.439 0.011 18818 3958 1 7 . 1 1 94 94 SER C C 94 174.500 174.500 174.542 -0.042 18818 3959 1 7 . 1 1 94 94 SER CA C 94 58.800 58.800 59.693 -0.893 18818 3960 1 7 . 1 1 94 94 SER CB C 94 63.900 63.900 64.602 -0.702 18818 3961 1 7 . 1 1 94 94 SER H H 94 7.530 7.530 7.728 -0.198 18818 3962 1 7 . 1 1 95 95 VAL N N 95 122.100 122.100 122.503 -0.403 18818 3963 1 7 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.204 -0.264 18818 3964 1 7 . 1 1 95 95 VAL C C 95 175.400 175.400 174.207 1.193 18818 3965 1 7 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.314 1.886 18818 3966 1 7 . 1 1 95 95 VAL CB C 95 31.500 31.500 31.318 0.182 18818 3967 1 7 . 1 1 95 95 VAL H H 95 7.440 7.440 7.679 -0.239 18818 3968 1 7 . 1 1 96 96 LYS N N 96 126.300 126.300 125.921 0.379 18818 3969 1 7 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.660 -0.260 18818 3970 1 7 . 1 1 96 96 LYS C C 96 176.000 176.000 175.601 0.399 18818 3971 1 7 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.471 0.028 18818 3972 1 7 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.042 -2.542 18818 3973 1 7 . 1 1 96 96 LYS H H 96 8.470 8.470 8.194 0.276 18818 3974 1 7 . 1 1 97 97 LEU N N 97 123.400 123.400 122.772 0.628 18818 3975 1 7 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.378 0.032 18818 3976 1 7 . 1 1 97 97 LEU C C 97 176.700 176.700 178.648 -1.948 18818 3977 1 7 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.185 -0.785 18818 3978 1 7 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.934 -0.634 18818 3979 1 7 . 1 1 97 97 LEU H H 97 8.140 8.140 8.537 -0.397 18818 3980 1 7 . 1 1 98 98 GLU N N 98 121.400 121.400 122.210 -0.810 18818 3981 1 7 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.166 0.174 18818 3982 1 7 . 1 1 98 98 GLU C C 98 175.900 175.900 175.879 0.021 18818 3983 1 7 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.562 -0.362 18818 3984 1 7 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.434 1.666 18818 3985 1 7 . 1 1 98 98 GLU H H 98 8.320 8.320 8.702 -0.382 18818 3986 1 7 . 1 1 99 99 ARG N N 99 122.800 122.800 122.256 0.544 18818 3987 1 7 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.302 0.508 18818 3988 1 7 . 1 1 99 99 ARG C C 99 173.900 173.900 174.607 -0.707 18818 3989 1 7 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.846 -1.246 18818 3990 1 7 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.541 -0.641 18818 3991 1 7 . 1 1 99 99 ARG H H 99 8.280 8.280 7.494 0.786 18818 3992 1 7 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.422 0.098 18818 3993 1 7 . 1 1 100 100 PRO C C 100 176.700 176.700 175.814 0.886 18818 3994 1 7 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.946 -0.146 18818 3995 1 7 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.025 -0.325 18818 3996 1 7 . 1 1 101 101 VAL N N 101 120.500 120.500 123.335 -2.835 18818 3997 1 7 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.304 -0.174 18818 3998 1 7 . 1 1 101 101 VAL C C 101 176.000 176.000 176.223 -0.223 18818 3999 1 7 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.779 0.321 18818 4000 1 7 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.129 -1.929 18818 4001 1 7 . 1 1 101 101 VAL H H 101 8.230 8.230 8.251 -0.021 18818 4002 1 7 . 1 1 102 102 ARG N N 102 124.600 124.600 126.549 -1.949 18818 4003 1 7 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.529 -0.109 18818 4004 1 7 . 1 1 102 102 ARG C C 102 176.400 176.400 176.102 0.298 18818 4005 1 7 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.971 -0.071 18818 4006 1 7 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.884 -0.184 18818 4007 1 7 . 1 1 102 102 ARG H H 102 8.390 8.390 8.888 -0.498 18818 4008 1 7 . 1 1 103 103 GLY N N 103 110.400 110.400 106.550 3.850 18818 4009 1 7 . 1 1 103 103 GLY C C 103 172.900 172.900 173.166 -0.266 18818 4010 1 7 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.324 0.676 18818 4011 1 7 . 1 1 103 103 GLY H H 103 8.400 8.400 7.682 0.718 18818 4012 1 8 . 1 1 5 5 ARG N N 5 124.100 124.100 122.559 1.541 18818 4013 1 8 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.573 -0.523 18818 4014 1 8 . 1 1 5 5 ARG C C 5 173.800 173.800 175.039 -1.239 18818 4015 1 8 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.440 0.560 18818 4016 1 8 . 1 1 5 5 ARG CB C 5 30.700 30.700 32.507 -1.806 18818 4017 1 8 . 1 1 5 5 ARG H H 5 8.570 8.570 8.497 0.073 18818 4018 1 8 . 1 1 6 6 SER N N 6 117.500 117.500 115.580 1.920 18818 4019 1 8 . 1 1 6 6 SER HA H 6 4.510 4.510 4.660 -0.150 18818 4020 1 8 . 1 1 6 6 SER C C 6 174.100 174.100 173.968 0.132 18818 4021 1 8 . 1 1 6 6 SER CA C 6 58.000 58.000 57.993 0.007 18818 4022 1 8 . 1 1 6 6 SER CB C 6 63.700 63.700 64.632 -0.932 18818 4023 1 8 . 1 1 6 6 SER H H 6 8.370 8.370 8.333 0.037 18818 4024 1 8 . 1 1 7 7 ALA N N 7 125.900 125.900 123.299 2.601 18818 4025 1 8 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.440 -0.040 18818 4026 1 8 . 1 1 7 7 ALA C C 7 177.200 177.200 176.147 1.053 18818 4027 1 8 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.925 0.675 18818 4028 1 8 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.363 -0.363 18818 4029 1 8 . 1 1 7 7 ALA H H 7 8.410 8.410 8.353 0.057 18818 4030 1 8 . 1 1 8 8 ASN N N 8 117.400 117.400 116.626 0.774 18818 4031 1 8 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.870 -0.100 18818 4032 1 8 . 1 1 8 8 ASN C C 8 174.900 174.900 175.373 -0.473 18818 4033 1 8 . 1 1 8 8 ASN CA C 8 52.900 52.900 52.672 0.228 18818 4034 1 8 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.085 -1.285 18818 4035 1 8 . 1 1 8 8 ASN H H 8 8.360 8.360 7.577 0.783 18818 4036 1 8 . 1 1 9 9 ALA N N 9 124.400 124.400 121.593 2.807 18818 4037 1 8 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.635 0.715 18818 4038 1 8 . 1 1 9 9 ALA C C 9 177.800 177.800 176.603 1.197 18818 4039 1 8 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.552 -0.852 18818 4040 1 8 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.443 1.457 18818 4041 1 8 . 1 1 9 9 ALA H H 9 8.270 8.270 9.213 -0.943 18818 4042 1 8 . 1 1 10 10 GLU N N 10 119.300 119.300 117.467 1.833 18818 4043 1 8 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.152 0.158 18818 4044 1 8 . 1 1 10 10 GLU C C 10 176.400 176.400 177.787 -1.387 18818 4045 1 8 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.565 -1.665 18818 4046 1 8 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.969 -0.369 18818 4047 1 8 . 1 1 10 10 GLU H H 10 8.470 8.470 8.496 -0.026 18818 4048 1 8 . 1 1 11 11 ASP N N 11 120.600 120.600 118.231 2.369 18818 4049 1 8 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.621 -0.011 18818 4050 1 8 . 1 1 11 11 ASP C C 11 176.100 176.100 175.503 0.597 18818 4051 1 8 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.249 0.051 18818 4052 1 8 . 1 1 11 11 ASP CB C 11 40.800 40.800 40.965 -0.165 18818 4053 1 8 . 1 1 11 11 ASP H H 11 8.200 8.200 8.452 -0.252 18818 4054 1 8 . 1 1 12 12 ALA N N 12 123.800 123.800 121.065 2.735 18818 4055 1 8 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.873 0.217 18818 4056 1 8 . 1 1 12 12 ALA C C 12 177.800 177.800 176.049 1.751 18818 4057 1 8 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.945 -0.445 18818 4058 1 8 . 1 1 12 12 ALA CB C 12 18.800 18.800 16.895 1.905 18818 4059 1 8 . 1 1 12 12 ALA H H 12 8.070 8.070 8.131 -0.061 18818 4060 1 8 . 1 1 13 13 GLN N N 13 118.500 118.500 116.870 1.630 18818 4061 1 8 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.203 0.067 18818 4062 1 8 . 1 1 13 13 GLN C C 13 175.700 175.700 176.938 -1.238 18818 4063 1 8 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.898 0.002 18818 4064 1 8 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.205 -1.105 18818 4065 1 8 . 1 1 13 13 GLN H H 13 8.230 8.230 8.325 -0.095 18818 4066 1 8 . 1 1 14 14 GLU N N 14 120.600 120.600 119.598 1.002 18818 4067 1 8 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.110 0.190 18818 4068 1 8 . 1 1 14 14 GLU C C 14 175.800 175.800 176.230 -0.430 18818 4069 1 8 . 1 1 14 14 GLU CA C 14 55.800 55.800 58.122 -2.322 18818 4070 1 8 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.502 0.398 18818 4071 1 8 . 1 1 14 14 GLU H H 14 8.100 8.100 8.393 -0.293 18818 4072 1 8 . 1 1 15 15 PHE N N 15 121.100 121.100 117.153 3.947 18818 4073 1 8 . 1 1 15 15 PHE HA H 15 4.880 4.880 5.003 -0.123 18818 4074 1 8 . 1 1 15 15 PHE C C 15 176.900 176.900 176.368 0.532 18818 4075 1 8 . 1 1 15 15 PHE CA C 15 55.300 55.300 54.691 0.609 18818 4076 1 8 . 1 1 15 15 PHE CB C 15 39.300 39.300 41.123 -1.823 18818 4077 1 8 . 1 1 15 15 PHE H H 15 8.030 8.030 7.345 0.685 18818 4078 1 8 . 1 1 16 16 SER N N 16 119.400 119.400 116.785 2.615 18818 4079 1 8 . 1 1 16 16 SER HA H 16 4.850 4.850 4.418 0.432 18818 4080 1 8 . 1 1 16 16 SER C C 16 174.800 174.800 175.504 -0.704 18818 4081 1 8 . 1 1 16 16 SER CA C 16 57.000 57.000 58.435 -1.435 18818 4082 1 8 . 1 1 16 16 SER CB C 16 65.600 65.600 64.568 1.032 18818 4083 1 8 . 1 1 16 16 SER H H 16 9.530 9.530 9.133 0.397 18818 4084 1 8 . 1 1 17 17 ASP N N 17 121.300 121.300 121.673 -0.373 18818 4085 1 8 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.477 0.073 18818 4086 1 8 . 1 1 17 17 ASP C C 17 179.700 179.700 178.456 1.244 18818 4087 1 8 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.576 0.424 18818 4088 1 8 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.507 -1.007 18818 4089 1 8 . 1 1 17 17 ASP H H 17 9.270 9.270 8.903 0.367 18818 4090 1 8 . 1 1 18 18 VAL N N 18 120.600 120.600 119.595 1.005 18818 4091 1 8 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.826 -0.146 18818 4092 1 8 . 1 1 18 18 VAL C C 18 176.900 176.900 176.967 -0.067 18818 4093 1 8 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.077 1.423 18818 4094 1 8 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.930 -0.030 18818 4095 1 8 . 1 1 18 18 VAL H H 18 8.230 8.230 7.757 0.473 18818 4096 1 8 . 1 1 19 19 GLU N N 19 121.000 121.000 120.142 0.858 18818 4097 1 8 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.055 -0.315 18818 4098 1 8 . 1 1 19 19 GLU C C 19 178.600 178.600 179.127 -0.527 18818 4099 1 8 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.507 0.493 18818 4100 1 8 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.496 -0.796 18818 4101 1 8 . 1 1 19 19 GLU H H 19 8.180 8.180 7.604 0.576 18818 4102 1 8 . 1 1 20 20 ARG N N 20 118.100 118.100 119.041 -0.941 18818 4103 1 8 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.555 -0.255 18818 4104 1 8 . 1 1 20 20 ARG C C 20 178.700 178.700 178.548 0.152 18818 4105 1 8 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.220 -0.120 18818 4106 1 8 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.226 -0.526 18818 4107 1 8 . 1 1 20 20 ARG H H 20 8.920 8.920 8.781 0.139 18818 4108 1 8 . 1 1 21 21 ALA N N 21 123.800 123.800 123.576 0.224 18818 4109 1 8 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.228 0.192 18818 4110 1 8 . 1 1 21 21 ALA C C 21 179.300 179.300 179.420 -0.120 18818 4111 1 8 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.065 0.135 18818 4112 1 8 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.325 -0.425 18818 4113 1 8 . 1 1 21 21 ALA H H 21 8.060 8.060 7.645 0.415 18818 4114 1 8 . 1 1 22 22 ILE N N 22 118.200 118.200 118.451 -0.251 18818 4115 1 8 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.714 0.006 18818 4116 1 8 . 1 1 22 22 ILE C C 22 177.500 177.500 178.326 -0.826 18818 4117 1 8 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.623 0.377 18818 4118 1 8 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.688 -0.288 18818 4119 1 8 . 1 1 22 22 ILE H H 22 8.010 8.010 7.735 0.275 18818 4120 1 8 . 1 1 23 23 GLU N N 23 120.100 120.100 119.582 0.518 18818 4121 1 8 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.046 -0.086 18818 4122 1 8 . 1 1 23 23 GLU C C 23 178.000 178.000 179.176 -1.176 18818 4123 1 8 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.908 0.392 18818 4124 1 8 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.374 0.126 18818 4125 1 8 . 1 1 23 23 GLU H H 23 8.450 8.450 8.022 0.428 18818 4126 1 8 . 1 1 24 24 THR N N 24 117.300 117.300 117.025 0.275 18818 4127 1 8 . 1 1 24 24 THR HA H 24 4.010 4.010 4.217 -0.207 18818 4128 1 8 . 1 1 24 24 THR C C 24 177.000 177.000 176.953 0.047 18818 4129 1 8 . 1 1 24 24 THR CA C 24 67.100 67.100 66.352 0.748 18818 4130 1 8 . 1 1 24 24 THR CB C 24 68.200 68.200 68.649 -0.449 18818 4131 1 8 . 1 1 24 24 THR H H 24 8.720 8.720 7.831 0.889 18818 4132 1 8 . 1 1 25 25 LEU N N 25 123.400 123.400 121.976 1.424 18818 4133 1 8 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.295 -0.015 18818 4134 1 8 . 1 1 25 25 LEU C C 25 178.200 178.200 179.005 -0.805 18818 4135 1 8 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.987 1.312 18818 4136 1 8 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.749 -0.049 18818 4137 1 8 . 1 1 25 25 LEU H H 25 8.150 8.150 7.883 0.267 18818 4138 1 8 . 1 1 26 26 ILE N N 26 119.500 119.500 120.635 -1.135 18818 4139 1 8 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.845 0.155 18818 4140 1 8 . 1 1 26 26 ILE C C 26 177.900 177.900 178.467 -0.567 18818 4141 1 8 . 1 1 26 26 ILE CA C 26 64.100 64.100 65.147 -1.047 18818 4142 1 8 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.023 -0.723 18818 4143 1 8 . 1 1 26 26 ILE H H 26 8.510 8.510 7.906 0.604 18818 4144 1 8 . 1 1 27 27 LYS N N 27 120.500 120.500 119.058 1.442 18818 4145 1 8 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.084 0.066 18818 4146 1 8 . 1 1 27 27 LYS C C 27 179.600 179.600 179.304 0.296 18818 4147 1 8 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.643 0.457 18818 4148 1 8 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.629 0.371 18818 4149 1 8 . 1 1 27 27 LYS H H 27 9.000 9.000 8.658 0.342 18818 4150 1 8 . 1 1 28 28 ASN N N 28 117.300 117.300 117.182 0.118 18818 4151 1 8 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.766 -0.206 18818 4152 1 8 . 1 1 28 28 ASN C C 28 176.000 176.000 177.928 -1.928 18818 4153 1 8 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.939 1.761 18818 4154 1 8 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.820 1.480 18818 4155 1 8 . 1 1 28 28 ASN H H 28 7.990 7.990 7.774 0.216 18818 4156 1 8 . 1 1 29 29 PHE N N 29 119.100 119.100 122.590 -3.490 18818 4157 1 8 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.693 0.217 18818 4158 1 8 . 1 1 29 29 PHE C C 29 176.200 176.200 176.742 -0.542 18818 4159 1 8 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.618 -0.418 18818 4160 1 8 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.846 -0.246 18818 4161 1 8 . 1 1 29 29 PHE H H 29 7.990 7.990 8.241 -0.251 18818 4162 1 8 . 1 1 30 30 HIS N N 30 114.700 114.700 117.247 -2.547 18818 4163 1 8 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.441 -0.121 18818 4164 1 8 . 1 1 30 30 HIS C C 30 177.400 177.400 178.064 -0.664 18818 4165 1 8 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.559 -1.058 18818 4166 1 8 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.795 -0.195 18818 4167 1 8 . 1 1 30 30 HIS H H 30 8.180 8.180 7.685 0.495 18818 4168 1 8 . 1 1 31 31 GLN N N 31 118.500 118.500 117.823 0.677 18818 4169 1 8 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.193 -0.113 18818 4170 1 8 . 1 1 31 31 GLN C C 31 176.600 176.600 178.204 -1.604 18818 4171 1 8 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.892 -0.092 18818 4172 1 8 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.406 -0.006 18818 4173 1 8 . 1 1 31 31 GLN H H 31 8.280 8.280 8.578 -0.298 18818 4174 1 8 . 1 1 32 32 TYR N N 32 115.700 115.700 118.151 -2.451 18818 4175 1 8 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.416 -0.206 18818 4176 1 8 . 1 1 32 32 TYR C C 32 174.800 174.800 176.489 -1.689 18818 4177 1 8 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.288 0.412 18818 4178 1 8 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.185 -0.485 18818 4179 1 8 . 1 1 32 32 TYR H H 32 7.410 7.410 7.593 -0.183 18818 4180 1 8 . 1 1 33 33 SER N N 33 114.000 114.000 115.559 -1.559 18818 4181 1 8 . 1 1 33 33 SER HA H 33 4.530 4.530 4.418 0.112 18818 4182 1 8 . 1 1 33 33 SER C C 33 175.000 175.000 175.471 -0.471 18818 4183 1 8 . 1 1 33 33 SER CA C 33 57.200 57.200 58.533 -1.333 18818 4184 1 8 . 1 1 33 33 SER CB C 33 63.200 63.200 62.131 1.069 18818 4185 1 8 . 1 1 33 33 SER H H 33 7.260 7.260 7.693 -0.433 18818 4186 1 8 . 1 1 34 34 VAL N N 34 126.600 126.600 121.858 4.742 18818 4187 1 8 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.187 -0.177 18818 4188 1 8 . 1 1 34 34 VAL C C 34 177.800 177.800 176.434 1.366 18818 4189 1 8 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.722 0.678 18818 4190 1 8 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.856 0.244 18818 4191 1 8 . 1 1 34 34 VAL H H 34 8.490 8.490 8.305 0.185 18818 4192 1 8 . 1 1 35 35 GLU N N 35 122.100 122.100 121.557 0.543 18818 4193 1 8 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.439 -0.189 18818 4194 1 8 . 1 1 35 35 GLU C C 35 177.800 177.800 177.914 -0.114 18818 4195 1 8 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.003 1.497 18818 4196 1 8 . 1 1 35 35 GLU CB C 35 29.800 29.800 31.318 -1.518 18818 4197 1 8 . 1 1 35 35 GLU H H 35 8.980 8.980 8.710 0.270 18818 4198 1 8 . 1 1 36 36 GLY N N 36 108.500 108.500 107.781 0.719 18818 4199 1 8 . 1 1 36 36 GLY C C 36 175.000 175.000 175.253 -0.253 18818 4200 1 8 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.801 0.499 18818 4201 1 8 . 1 1 36 36 GLY H H 36 8.490 8.490 8.109 0.381 18818 4202 1 8 . 1 1 37 37 GLY N N 37 108.700 108.700 105.694 3.006 18818 4203 1 8 . 1 1 37 37 GLY C C 37 174.100 174.100 175.869 -1.769 18818 4204 1 8 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.836 0.965 18818 4205 1 8 . 1 1 37 37 GLY H H 37 8.140 8.140 8.202 -0.062 18818 4206 1 8 . 1 1 38 38 LYS N N 38 118.000 118.000 117.444 0.556 18818 4207 1 8 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.766 0.704 18818 4208 1 8 . 1 1 38 38 LYS C C 38 176.000 176.000 176.710 -0.710 18818 4209 1 8 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.394 -3.294 18818 4210 1 8 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.023 1.677 18818 4211 1 8 . 1 1 38 38 LYS H H 38 8.050 8.050 8.237 -0.187 18818 4212 1 8 . 1 1 39 39 GLU N N 39 118.100 118.100 116.392 1.708 18818 4213 1 8 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.393 0.167 18818 4214 1 8 . 1 1 39 39 GLU C C 39 175.600 175.600 176.459 -0.859 18818 4215 1 8 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.961 -1.161 18818 4216 1 8 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.293 -0.093 18818 4217 1 8 . 1 1 39 39 GLU H H 39 8.630 8.630 8.294 0.336 18818 4218 1 8 . 1 1 40 40 THR N N 40 108.100 108.100 106.857 1.243 18818 4219 1 8 . 1 1 40 40 THR HA H 40 5.160 5.160 5.219 -0.059 18818 4220 1 8 . 1 1 40 40 THR C C 40 173.400 173.400 172.189 1.211 18818 4221 1 8 . 1 1 40 40 THR CA C 40 59.300 59.300 59.809 -0.508 18818 4222 1 8 . 1 1 40 40 THR CB C 40 72.100 72.100 72.482 -0.382 18818 4223 1 8 . 1 1 40 40 THR H H 40 7.490 7.490 7.534 -0.044 18818 4224 1 8 . 1 1 41 41 LEU N N 41 120.700 120.700 122.327 -1.627 18818 4225 1 8 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.616 0.424 18818 4226 1 8 . 1 1 41 41 LEU C C 41 177.000 177.000 175.271 1.729 18818 4227 1 8 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.449 -0.149 18818 4228 1 8 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.792 0.507 18818 4229 1 8 . 1 1 41 41 LEU H H 41 8.660 8.660 8.544 0.116 18818 4230 1 8 . 1 1 42 42 THR N N 42 113.500 113.500 117.512 -4.012 18818 4231 1 8 . 1 1 42 42 THR HA H 42 5.000 5.000 4.682 0.318 18818 4232 1 8 . 1 1 42 42 THR C C 42 174.100 174.100 173.963 0.137 18818 4233 1 8 . 1 1 42 42 THR CA C 42 59.800 59.800 59.133 0.667 18818 4234 1 8 . 1 1 42 42 THR CB C 42 68.100 68.100 69.647 -1.547 18818 4235 1 8 . 1 1 42 42 THR H H 42 9.130 9.130 8.024 1.106 18818 4236 1 8 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.168 -0.018 18818 4237 1 8 . 1 1 43 43 PRO C C 43 178.600 178.600 178.350 0.250 18818 4238 1 8 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.715 0.485 18818 4239 1 8 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.675 0.025 18818 4240 1 8 . 1 1 44 44 SER N N 44 111.600 111.600 113.072 -1.472 18818 4241 1 8 . 1 1 44 44 SER HA H 44 4.170 4.170 4.226 -0.056 18818 4242 1 8 . 1 1 44 44 SER C C 44 176.200 176.200 176.397 -0.197 18818 4243 1 8 . 1 1 44 44 SER CA C 44 61.500 61.500 61.832 -0.332 18818 4244 1 8 . 1 1 44 44 SER CB C 44 62.200 62.200 63.127 -0.927 18818 4245 1 8 . 1 1 44 44 SER H H 44 8.090 8.090 7.858 0.232 18818 4246 1 8 . 1 1 45 45 GLU N N 45 123.900 123.900 121.423 2.477 18818 4247 1 8 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.229 0.031 18818 4248 1 8 . 1 1 45 45 GLU C C 45 179.000 179.000 178.289 0.711 18818 4249 1 8 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.125 0.975 18818 4250 1 8 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.111 0.589 18818 4251 1 8 . 1 1 45 45 GLU H H 45 7.700 7.700 7.790 -0.090 18818 4252 1 8 . 1 1 46 46 LEU N N 46 118.900 118.900 122.429 -3.529 18818 4253 1 8 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.991 0.089 18818 4254 1 8 . 1 1 46 46 LEU C C 46 177.600 177.600 178.588 -0.988 18818 4255 1 8 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.116 -0.816 18818 4256 1 8 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.049 -1.149 18818 4257 1 8 . 1 1 46 46 LEU H H 46 8.400 8.400 8.335 0.065 18818 4258 1 8 . 1 1 47 47 ARG N N 47 119.300 119.300 116.642 2.658 18818 4259 1 8 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.957 -0.187 18818 4260 1 8 . 1 1 47 47 ARG C C 47 178.900 178.900 178.336 0.564 18818 4261 1 8 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.266 0.734 18818 4262 1 8 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.437 -0.437 18818 4263 1 8 . 1 1 47 47 ARG H H 47 8.260 8.260 7.967 0.293 18818 4264 1 8 . 1 1 48 48 ASP N N 48 122.300 122.300 120.151 2.149 18818 4265 1 8 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.550 -0.120 18818 4266 1 8 . 1 1 48 48 ASP C C 48 176.700 176.700 178.220 -1.520 18818 4267 1 8 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.993 0.507 18818 4268 1 8 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.255 -1.855 18818 4269 1 8 . 1 1 48 48 ASP H H 48 8.160 8.160 7.709 0.451 18818 4270 1 8 . 1 1 49 49 LEU N N 49 122.600 122.600 116.863 5.737 18818 4271 1 8 . 1 1 49 49 LEU HA H 49 3.170 3.170 4.221 -1.051 18818 4272 1 8 . 1 1 49 49 LEU C C 49 179.100 179.100 177.965 1.135 18818 4273 1 8 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.352 1.648 18818 4274 1 8 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.814 -0.514 18818 4275 1 8 . 1 1 49 49 LEU H H 49 7.980 7.980 7.836 0.144 18818 4276 1 8 . 1 1 50 50 VAL N N 50 118.200 118.200 120.941 -2.741 18818 4277 1 8 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.671 -0.121 18818 4278 1 8 . 1 1 50 50 VAL C C 50 178.800 178.800 178.625 0.175 18818 4279 1 8 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.747 -0.347 18818 4280 1 8 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.733 0.767 18818 4281 1 8 . 1 1 50 50 VAL H H 50 8.390 8.390 7.935 0.455 18818 4282 1 8 . 1 1 51 51 THR N N 51 115.000 115.000 114.091 0.909 18818 4283 1 8 . 1 1 51 51 THR HA H 51 3.990 3.990 4.105 -0.115 18818 4284 1 8 . 1 1 51 51 THR C C 51 176.000 176.000 176.017 -0.017 18818 4285 1 8 . 1 1 51 51 THR CA C 51 65.800 65.800 65.132 0.668 18818 4286 1 8 . 1 1 51 51 THR CB C 51 68.900 68.900 68.880 0.020 18818 4287 1 8 . 1 1 51 51 THR H H 51 8.480 8.480 7.798 0.682 18818 4288 1 8 . 1 1 52 52 GLN N N 52 116.400 116.400 118.147 -1.747 18818 4289 1 8 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.315 -0.065 18818 4290 1 8 . 1 1 52 52 GLN C C 52 178.300 178.300 177.326 0.974 18818 4291 1 8 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.959 -0.159 18818 4292 1 8 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.775 -1.275 18818 4293 1 8 . 1 1 52 52 GLN H H 52 8.180 8.180 8.021 0.160 18818 4294 1 8 . 1 1 53 53 GLN N N 53 112.100 112.100 115.304 -3.204 18818 4295 1 8 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.511 0.339 18818 4296 1 8 . 1 1 53 53 GLN C C 53 176.900 176.900 176.224 0.676 18818 4297 1 8 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.462 -1.462 18818 4298 1 8 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.326 -2.926 18818 4299 1 8 . 1 1 53 53 GLN H H 53 8.490 8.490 8.179 0.311 18818 4300 1 8 . 1 1 54 54 LEU N N 54 119.800 119.800 120.185 -0.385 18818 4301 1 8 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.931 0.319 18818 4302 1 8 . 1 1 54 54 LEU C C 54 176.900 176.900 174.945 1.955 18818 4303 1 8 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.441 1.459 18818 4304 1 8 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.613 0.487 18818 4305 1 8 . 1 1 54 54 LEU H H 54 7.920 7.920 7.437 0.483 18818 4306 1 8 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.267 0.203 18818 4307 1 8 . 1 1 55 55 PRO C C 55 178.300 178.300 177.176 1.124 18818 4308 1 8 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.763 0.537 18818 4309 1 8 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.707 -1.007 18818 4310 1 8 . 1 1 56 56 HIS N N 56 116.500 116.500 115.404 1.096 18818 4311 1 8 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.585 0.005 18818 4312 1 8 . 1 1 56 56 HIS C C 56 176.300 176.300 176.188 0.112 18818 4313 1 8 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.122 -0.322 18818 4314 1 8 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.591 -1.292 18818 4315 1 8 . 1 1 56 56 HIS H H 56 9.770 9.770 8.474 1.296 18818 4316 1 8 . 1 1 57 57 LEU N N 57 116.600 116.600 118.706 -2.106 18818 4317 1 8 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.366 -0.036 18818 4318 1 8 . 1 1 57 57 LEU C C 57 176.400 176.400 176.328 0.072 18818 4319 1 8 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.957 -0.557 18818 4320 1 8 . 1 1 57 57 LEU CB C 57 42.500 42.500 43.151 -0.651 18818 4321 1 8 . 1 1 57 57 LEU H H 57 7.830 7.830 7.958 -0.128 18818 4322 1 8 . 1 1 58 58 MET N N 58 118.000 118.000 116.979 1.021 18818 4323 1 8 . 1 1 58 58 MET HA H 58 4.540 4.540 4.778 -0.238 18818 4324 1 8 . 1 1 58 58 MET C C 58 171.600 171.600 173.532 -1.932 18818 4325 1 8 . 1 1 58 58 MET CA C 58 53.500 53.500 53.423 0.077 18818 4326 1 8 . 1 1 58 58 MET CB C 58 32.700 32.700 33.369 -0.669 18818 4327 1 8 . 1 1 58 58 MET H H 58 7.970 7.970 7.802 0.168 18818 4328 1 8 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.564 -0.114 18818 4329 1 8 . 1 1 59 59 PRO C C 59 177.400 177.400 178.020 -0.620 18818 4330 1 8 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.514 0.586 18818 4331 1 8 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.460 -0.560 18818 4332 1 8 . 1 1 60 60 SER N N 60 114.900 114.900 116.790 -1.890 18818 4333 1 8 . 1 1 60 60 SER HA H 60 4.340 4.340 4.117 0.223 18818 4334 1 8 . 1 1 60 60 SER C C 60 174.700 174.700 176.683 -1.983 18818 4335 1 8 . 1 1 60 60 SER CA C 60 59.100 59.100 61.446 -2.346 18818 4336 1 8 . 1 1 60 60 SER CB C 60 63.200 63.200 62.980 0.220 18818 4337 1 8 . 1 1 60 60 SER H H 60 8.360 8.360 8.986 -0.626 18818 4338 1 8 . 1 1 61 61 ASN N N 61 120.800 120.800 119.395 1.405 18818 4339 1 8 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.530 0.280 18818 4340 1 8 . 1 1 61 61 ASN C C 61 175.500 175.500 176.200 -0.700 18818 4341 1 8 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.735 -2.735 18818 4342 1 8 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.393 -0.493 18818 4343 1 8 . 1 1 61 61 ASN H H 61 7.990 7.990 8.418 -0.428 18818 4344 1 8 . 1 1 62 62 CYS N N 62 117.800 117.800 115.947 1.853 18818 4345 1 8 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.556 0.034 18818 4346 1 8 . 1 1 62 62 CYS C C 62 175.300 175.300 174.213 1.087 18818 4347 1 8 . 1 1 62 62 CYS CA C 62 59.200 59.200 58.879 0.321 18818 4348 1 8 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.211 0.189 18818 4349 1 8 . 1 1 62 62 CYS H H 62 8.260 8.260 7.522 0.738 18818 4350 1 8 . 1 1 63 63 GLY N N 63 111.300 111.300 109.193 2.107 18818 4351 1 8 . 1 1 63 63 GLY C C 63 175.600 175.600 174.145 1.455 18818 4352 1 8 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.441 0.859 18818 4353 1 8 . 1 1 63 63 GLY H H 63 8.520 8.520 7.799 0.721 18818 4354 1 8 . 1 1 64 64 LEU N N 64 122.400 122.400 119.037 3.363 18818 4355 1 8 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.379 -0.329 18818 4356 1 8 . 1 1 64 64 LEU C C 64 177.900 177.900 178.671 -0.771 18818 4357 1 8 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.493 1.107 18818 4358 1 8 . 1 1 64 64 LEU CB C 64 42.000 42.000 42.039 -0.039 18818 4359 1 8 . 1 1 64 64 LEU H H 64 7.910 7.910 8.136 -0.226 18818 4360 1 8 . 1 1 65 65 GLU N N 65 117.900 117.900 119.077 -1.177 18818 4361 1 8 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.933 -0.023 18818 4362 1 8 . 1 1 65 65 GLU C C 65 179.100 179.100 178.068 1.032 18818 4363 1 8 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.419 1.581 18818 4364 1 8 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.333 0.067 18818 4365 1 8 . 1 1 65 65 GLU H H 65 8.660 8.660 8.954 -0.294 18818 4366 1 8 . 1 1 66 66 GLU N N 66 120.000 120.000 119.843 0.157 18818 4367 1 8 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.105 0.015 18818 4368 1 8 . 1 1 66 66 GLU C C 66 178.200 178.200 178.199 0.001 18818 4369 1 8 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.774 0.326 18818 4370 1 8 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.210 -0.110 18818 4371 1 8 . 1 1 66 66 GLU H H 66 8.220 8.220 8.707 -0.487 18818 4372 1 8 . 1 1 67 67 LYS N N 67 119.300 119.300 118.621 0.679 18818 4373 1 8 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.115 0.025 18818 4374 1 8 . 1 1 67 67 LYS C C 67 179.400 179.400 178.563 0.837 18818 4375 1 8 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.654 1.246 18818 4376 1 8 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.007 0.093 18818 4377 1 8 . 1 1 67 67 LYS H H 67 7.780 7.780 7.428 0.352 18818 4378 1 8 . 1 1 68 68 ILE N N 68 118.400 118.400 120.298 -1.898 18818 4379 1 8 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.709 0.011 18818 4380 1 8 . 1 1 68 68 ILE C C 68 177.800 177.800 177.565 0.235 18818 4381 1 8 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.813 -0.313 18818 4382 1 8 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.638 -0.338 18818 4383 1 8 . 1 1 68 68 ILE H H 68 8.230 8.230 7.401 0.829 18818 4384 1 8 . 1 1 69 69 ALA N N 69 122.900 122.900 118.444 4.456 18818 4385 1 8 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.115 0.105 18818 4386 1 8 . 1 1 69 69 ALA C C 69 179.600 179.600 178.014 1.586 18818 4387 1 8 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.233 0.167 18818 4388 1 8 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.577 -0.677 18818 4389 1 8 . 1 1 69 69 ALA H H 69 8.070 8.070 7.960 0.110 18818 4390 1 8 . 1 1 70 70 ASN N N 70 115.400 115.400 116.500 -1.100 18818 4391 1 8 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.653 0.217 18818 4392 1 8 . 1 1 70 70 ASN C C 70 176.500 176.500 177.163 -0.663 18818 4393 1 8 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.055 -0.755 18818 4394 1 8 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.443 -0.743 18818 4395 1 8 . 1 1 70 70 ASN H H 70 7.880 7.880 7.500 0.380 18818 4396 1 8 . 1 1 71 71 LEU N N 71 120.600 120.600 115.667 4.933 18818 4397 1 8 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.371 -0.041 18818 4398 1 8 . 1 1 71 71 LEU C C 71 178.300 178.300 177.163 1.137 18818 4399 1 8 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.948 1.352 18818 4400 1 8 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.414 0.886 18818 4401 1 8 . 1 1 71 71 LEU H H 71 7.820 7.820 7.755 0.065 18818 4402 1 8 . 1 1 72 72 GLY N N 72 106.800 106.800 106.962 -0.162 18818 4403 1 8 . 1 1 72 72 GLY C C 72 174.400 174.400 175.695 -1.295 18818 4404 1 8 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.909 0.791 18818 4405 1 8 . 1 1 72 72 GLY H H 72 8.240 8.240 7.489 0.751 18818 4406 1 8 . 1 1 73 73 SER N N 73 115.600 115.600 118.340 -2.740 18818 4407 1 8 . 1 1 73 73 SER HA H 73 4.570 4.570 4.225 0.345 18818 4408 1 8 . 1 1 73 73 SER C C 73 175.000 175.000 175.417 -0.417 18818 4409 1 8 . 1 1 73 73 SER CA C 73 58.900 58.900 60.729 -1.829 18818 4410 1 8 . 1 1 73 73 SER CB C 73 63.600 63.600 63.383 0.217 18818 4411 1 8 . 1 1 73 73 SER H H 73 8.220 8.220 8.897 -0.677 18818 4412 1 8 . 1 1 74 74 CYS N N 74 119.300 119.300 119.487 -0.187 18818 4413 1 8 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.673 -0.023 18818 4414 1 8 . 1 1 74 74 CYS C C 74 174.500 174.500 173.440 1.060 18818 4415 1 8 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.640 0.060 18818 4416 1 8 . 1 1 74 74 CYS CB C 74 27.700 27.700 27.587 0.114 18818 4417 1 8 . 1 1 74 74 CYS H H 74 8.260 8.260 8.010 0.250 18818 4418 1 8 . 1 1 75 75 ASN N N 75 120.000 120.000 117.192 2.808 18818 4419 1 8 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.414 0.426 18818 4420 1 8 . 1 1 75 75 ASN C C 75 174.700 174.700 175.359 -0.659 18818 4421 1 8 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.661 -0.861 18818 4422 1 8 . 1 1 75 75 ASN CB C 75 38.900 38.900 36.717 2.183 18818 4423 1 8 . 1 1 75 75 ASN H H 75 8.430 8.430 8.104 0.326 18818 4424 1 8 . 1 1 76 76 ASP N N 76 119.200 119.200 118.996 0.204 18818 4425 1 8 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.489 0.181 18818 4426 1 8 . 1 1 76 76 ASP C C 76 175.500 175.500 177.038 -1.538 18818 4427 1 8 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.292 -1.892 18818 4428 1 8 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.429 0.171 18818 4429 1 8 . 1 1 76 76 ASP H H 76 8.300 8.300 8.815 -0.515 18818 4430 1 8 . 1 1 77 77 SER N N 77 112.800 112.800 113.224 -0.424 18818 4431 1 8 . 1 1 77 77 SER HA H 77 4.260 4.260 4.567 -0.307 18818 4432 1 8 . 1 1 77 77 SER C C 77 173.300 173.300 173.166 0.134 18818 4433 1 8 . 1 1 77 77 SER CA C 77 59.000 59.000 57.883 1.117 18818 4434 1 8 . 1 1 77 77 SER CB C 77 63.100 63.100 64.181 -1.081 18818 4435 1 8 . 1 1 77 77 SER H H 77 8.220 8.220 8.076 0.144 18818 4436 1 8 . 1 1 78 78 LYS N N 78 120.600 120.600 118.523 2.077 18818 4437 1 8 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.043 0.517 18818 4438 1 8 . 1 1 78 78 LYS C C 78 175.300 175.300 175.394 -0.094 18818 4439 1 8 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.320 -1.720 18818 4440 1 8 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.546 0.754 18818 4441 1 8 . 1 1 78 78 LYS H H 78 7.930 7.930 7.571 0.359 18818 4442 1 8 . 1 1 79 79 LEU N N 79 123.700 123.700 116.580 7.120 18818 4443 1 8 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.842 -0.062 18818 4444 1 8 . 1 1 79 79 LEU C C 79 176.100 176.100 175.462 0.638 18818 4445 1 8 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.746 0.454 18818 4446 1 8 . 1 1 79 79 LEU CB C 79 42.000 42.000 40.890 1.110 18818 4447 1 8 . 1 1 79 79 LEU H H 79 9.020 9.020 8.483 0.537 18818 4448 1 8 . 1 1 80 80 GLU N N 80 121.200 121.200 122.553 -1.353 18818 4449 1 8 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.760 0.140 18818 4450 1 8 . 1 1 80 80 GLU C C 80 177.100 177.100 176.751 0.349 18818 4451 1 8 . 1 1 80 80 GLU CA C 80 55.200 55.200 56.359 -1.159 18818 4452 1 8 . 1 1 80 80 GLU CB C 80 31.600 31.600 31.377 0.223 18818 4453 1 8 . 1 1 80 80 GLU H H 80 8.630 8.630 8.033 0.597 18818 4454 1 8 . 1 1 81 81 PHE N N 81 123.500 123.500 121.699 1.801 18818 4455 1 8 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.578 -0.048 18818 4456 1 8 . 1 1 81 81 PHE C C 81 177.000 177.000 177.273 -0.273 18818 4457 1 8 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.654 0.646 18818 4458 1 8 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.841 -0.341 18818 4459 1 8 . 1 1 81 81 PHE H H 81 9.360 9.360 8.922 0.438 18818 4460 1 8 . 1 1 82 82 ARG N N 82 116.500 116.500 119.307 -2.807 18818 4461 1 8 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.985 0.055 18818 4462 1 8 . 1 1 82 82 ARG C C 82 178.000 178.000 178.167 -0.167 18818 4463 1 8 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.184 0.017 18818 4464 1 8 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.362 -0.162 18818 4465 1 8 . 1 1 82 82 ARG H H 82 8.940 8.940 9.195 -0.255 18818 4466 1 8 . 1 1 83 83 SER N N 83 115.700 115.700 115.139 0.561 18818 4467 1 8 . 1 1 83 83 SER HA H 83 4.510 4.510 4.309 0.201 18818 4468 1 8 . 1 1 83 83 SER C C 83 175.800 175.800 176.855 -1.055 18818 4469 1 8 . 1 1 83 83 SER CA C 83 61.700 61.700 60.839 0.862 18818 4470 1 8 . 1 1 83 83 SER CB C 83 62.700 62.700 63.109 -0.409 18818 4471 1 8 . 1 1 83 83 SER H H 83 7.610 7.610 7.797 -0.187 18818 4472 1 8 . 1 1 84 84 PHE N N 84 122.200 122.200 123.954 -1.754 18818 4473 1 8 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.103 0.117 18818 4474 1 8 . 1 1 84 84 PHE C C 84 175.000 175.000 176.381 -1.381 18818 4475 1 8 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.793 -0.793 18818 4476 1 8 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.287 -0.087 18818 4477 1 8 . 1 1 84 84 PHE H H 84 7.490 7.490 7.529 -0.039 18818 4478 1 8 . 1 1 85 85 TRP N N 85 120.700 120.700 120.320 0.380 18818 4479 1 8 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.047 -0.287 18818 4480 1 8 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.525 -0.725 18818 4481 1 8 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.752 -0.552 18818 4482 1 8 . 1 1 85 85 TRP H H 85 8.770 8.770 8.745 0.025 18818 4483 1 8 . 1 1 86 86 GLU N N 86 119.100 119.100 116.795 2.305 18818 4484 1 8 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.911 0.169 18818 4485 1 8 . 1 1 86 86 GLU C C 86 179.100 179.100 178.731 0.369 18818 4486 1 8 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.634 0.666 18818 4487 1 8 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.825 0.676 18818 4488 1 8 . 1 1 86 86 GLU H H 86 8.150 8.150 8.217 -0.067 18818 4489 1 8 . 1 1 87 87 LEU N N 87 120.800 120.800 120.593 0.207 18818 4490 1 8 . 1 1 87 87 LEU HA H 87 4.050 4.050 3.996 0.054 18818 4491 1 8 . 1 1 87 87 LEU C C 87 178.900 178.900 178.378 0.522 18818 4492 1 8 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.753 0.147 18818 4493 1 8 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.995 -0.695 18818 4494 1 8 . 1 1 87 87 LEU H H 87 7.600 7.600 7.219 0.381 18818 4495 1 8 . 1 1 88 88 ILE N N 88 115.200 115.200 119.171 -3.971 18818 4496 1 8 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.346 0.234 18818 4497 1 8 . 1 1 88 88 ILE C C 88 177.300 177.300 177.610 -0.310 18818 4498 1 8 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.258 -2.258 18818 4499 1 8 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.873 -1.273 18818 4500 1 8 . 1 1 88 88 ILE H H 88 7.960 7.960 7.429 0.531 18818 4501 1 8 . 1 1 89 89 GLY N N 89 108.100 108.100 106.047 2.053 18818 4502 1 8 . 1 1 89 89 GLY C C 89 175.700 175.700 174.720 0.980 18818 4503 1 8 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.722 -1.322 18818 4504 1 8 . 1 1 89 89 GLY H H 89 7.620 7.620 7.722 -0.102 18818 4505 1 8 . 1 1 90 90 GLU N N 90 120.000 120.000 120.725 -0.725 18818 4506 1 8 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.190 -0.230 18818 4507 1 8 . 1 1 90 90 GLU C C 90 179.100 179.100 178.750 0.350 18818 4508 1 8 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.588 0.612 18818 4509 1 8 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.857 -1.057 18818 4510 1 8 . 1 1 90 90 GLU H H 90 7.410 7.410 7.440 -0.030 18818 4511 1 8 . 1 1 91 91 ALA N N 91 122.400 122.400 123.458 -1.058 18818 4512 1 8 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.971 0.049 18818 4513 1 8 . 1 1 91 91 ALA C C 91 178.700 178.700 179.595 -0.895 18818 4514 1 8 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.905 -0.905 18818 4515 1 8 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.258 -0.258 18818 4516 1 8 . 1 1 91 91 ALA H H 91 7.610 7.610 8.254 -0.644 18818 4517 1 8 . 1 1 92 92 ALA N N 92 118.000 118.000 119.645 -1.645 18818 4518 1 8 . 1 1 92 92 ALA HA H 92 3.670 3.670 3.969 -0.299 18818 4519 1 8 . 1 1 92 92 ALA C C 92 177.900 177.900 179.584 -1.684 18818 4520 1 8 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.521 -0.621 18818 4521 1 8 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.234 -0.334 18818 4522 1 8 . 1 1 92 92 ALA H H 92 7.740 7.740 8.107 -0.367 18818 4523 1 8 . 1 1 93 93 LYS N N 93 114.600 114.600 117.411 -2.811 18818 4524 1 8 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.046 -0.276 18818 4525 1 8 . 1 1 93 93 LYS C C 93 177.000 177.000 177.802 -0.802 18818 4526 1 8 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.318 -0.818 18818 4527 1 8 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.240 -0.440 18818 4528 1 8 . 1 1 93 93 LYS H H 93 7.200 7.200 7.671 -0.471 18818 4529 1 8 . 1 1 94 94 SER N N 94 113.000 113.000 112.763 0.237 18818 4530 1 8 . 1 1 94 94 SER HA H 94 4.450 4.450 4.438 0.012 18818 4531 1 8 . 1 1 94 94 SER C C 94 174.500 174.500 174.242 0.258 18818 4532 1 8 . 1 1 94 94 SER CA C 94 58.800 58.800 59.273 -0.473 18818 4533 1 8 . 1 1 94 94 SER CB C 94 63.900 63.900 64.194 -0.294 18818 4534 1 8 . 1 1 94 94 SER H H 94 7.530 7.530 7.724 -0.194 18818 4535 1 8 . 1 1 95 95 VAL N N 95 122.100 122.100 120.204 1.896 18818 4536 1 8 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.244 -0.304 18818 4537 1 8 . 1 1 95 95 VAL C C 95 175.400 175.400 173.644 1.756 18818 4538 1 8 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.107 1.093 18818 4539 1 8 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.164 -0.664 18818 4540 1 8 . 1 1 95 95 VAL H H 95 7.440 7.440 7.477 -0.037 18818 4541 1 8 . 1 1 96 96 LYS N N 96 126.300 126.300 125.594 0.706 18818 4542 1 8 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.590 -0.190 18818 4543 1 8 . 1 1 96 96 LYS C C 96 176.000 176.000 175.756 0.244 18818 4544 1 8 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.054 0.446 18818 4545 1 8 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.478 -1.978 18818 4546 1 8 . 1 1 96 96 LYS H H 96 8.470 8.470 8.341 0.129 18818 4547 1 8 . 1 1 97 97 LEU N N 97 123.400 123.400 123.227 0.173 18818 4548 1 8 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.396 0.014 18818 4549 1 8 . 1 1 97 97 LEU C C 97 176.700 176.700 176.869 -0.169 18818 4550 1 8 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.172 -0.772 18818 4551 1 8 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.300 0.000 18818 4552 1 8 . 1 1 97 97 LEU H H 97 8.140 8.140 8.322 -0.182 18818 4553 1 8 . 1 1 98 98 GLU N N 98 121.400 121.400 123.826 -2.426 18818 4554 1 8 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.417 -0.077 18818 4555 1 8 . 1 1 98 98 GLU C C 98 175.900 175.900 175.455 0.445 18818 4556 1 8 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.392 -0.193 18818 4557 1 8 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.650 0.450 18818 4558 1 8 . 1 1 98 98 GLU H H 98 8.320 8.320 8.447 -0.127 18818 4559 1 8 . 1 1 99 99 ARG N N 99 122.800 122.800 125.649 -2.849 18818 4560 1 8 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.866 -0.056 18818 4561 1 8 . 1 1 99 99 ARG C C 99 173.900 173.900 174.315 -0.415 18818 4562 1 8 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.421 0.179 18818 4563 1 8 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.888 -0.988 18818 4564 1 8 . 1 1 99 99 ARG H H 99 8.280 8.280 8.521 -0.241 18818 4565 1 8 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.525 -0.005 18818 4566 1 8 . 1 1 100 100 PRO C C 100 176.700 176.700 176.114 0.586 18818 4567 1 8 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.525 0.275 18818 4568 1 8 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.827 -1.127 18818 4569 1 8 . 1 1 101 101 VAL N N 101 120.500 120.500 120.885 -0.385 18818 4570 1 8 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.359 -0.229 18818 4571 1 8 . 1 1 101 101 VAL C C 101 176.000 176.000 176.139 -0.139 18818 4572 1 8 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.840 0.260 18818 4573 1 8 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.596 -2.396 18818 4574 1 8 . 1 1 101 101 VAL H H 101 8.230 8.230 8.107 0.123 18818 4575 1 8 . 1 1 102 102 ARG N N 102 124.600 124.600 128.237 -3.637 18818 4576 1 8 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.361 0.059 18818 4577 1 8 . 1 1 102 102 ARG C C 102 176.400 176.400 175.761 0.639 18818 4578 1 8 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.090 -0.190 18818 4579 1 8 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.666 0.034 18818 4580 1 8 . 1 1 102 102 ARG H H 102 8.390 8.390 8.938 -0.548 18818 4581 1 8 . 1 1 103 103 GLY N N 103 110.400 110.400 105.875 4.525 18818 4582 1 8 . 1 1 103 103 GLY C C 103 172.900 172.900 172.854 0.046 18818 4583 1 8 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.485 0.515 18818 4584 1 8 . 1 1 103 103 GLY H H 103 8.400 8.400 7.969 0.431 18818 4585 1 9 . 1 1 5 5 ARG N N 5 124.100 124.100 124.844 -0.744 18818 4586 1 9 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.613 -0.563 18818 4587 1 9 . 1 1 5 5 ARG C C 5 173.800 173.800 176.213 -2.413 18818 4588 1 9 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.058 -0.058 18818 4589 1 9 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.700 -1.000 18818 4590 1 9 . 1 1 5 5 ARG H H 5 8.570 8.570 8.601 -0.031 18818 4591 1 9 . 1 1 6 6 SER N N 6 117.500 117.500 115.784 1.716 18818 4592 1 9 . 1 1 6 6 SER HA H 6 4.510 4.510 4.561 -0.051 18818 4593 1 9 . 1 1 6 6 SER C C 6 174.100 174.100 173.997 0.103 18818 4594 1 9 . 1 1 6 6 SER CA C 6 58.000 58.000 58.643 -0.643 18818 4595 1 9 . 1 1 6 6 SER CB C 6 63.700 63.700 64.742 -1.042 18818 4596 1 9 . 1 1 6 6 SER H H 6 8.370 8.370 9.016 -0.646 18818 4597 1 9 . 1 1 7 7 ALA N N 7 125.900 125.900 125.105 0.795 18818 4598 1 9 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.798 -0.398 18818 4599 1 9 . 1 1 7 7 ALA C C 7 177.200 177.200 176.908 0.292 18818 4600 1 9 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.179 0.420 18818 4601 1 9 . 1 1 7 7 ALA CB C 7 19.000 19.000 17.296 1.704 18818 4602 1 9 . 1 1 7 7 ALA H H 7 8.410 8.410 8.289 0.121 18818 4603 1 9 . 1 1 8 8 ASN N N 8 117.400 117.400 117.477 -0.077 18818 4604 1 9 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.705 0.065 18818 4605 1 9 . 1 1 8 8 ASN C C 8 174.900 174.900 175.057 -0.157 18818 4606 1 9 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.867 -0.967 18818 4607 1 9 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.851 -1.051 18818 4608 1 9 . 1 1 8 8 ASN H H 8 8.360 8.360 8.171 0.189 18818 4609 1 9 . 1 1 9 9 ALA N N 9 124.400 124.400 119.672 4.728 18818 4610 1 9 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.533 -0.183 18818 4611 1 9 . 1 1 9 9 ALA C C 9 177.800 177.800 177.734 0.066 18818 4612 1 9 . 1 1 9 9 ALA CA C 9 52.700 52.700 52.464 0.236 18818 4613 1 9 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.533 -0.633 18818 4614 1 9 . 1 1 9 9 ALA H H 9 8.270 8.270 8.172 0.098 18818 4615 1 9 . 1 1 10 10 GLU N N 10 119.300 119.300 119.412 -0.112 18818 4616 1 9 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.203 0.107 18818 4617 1 9 . 1 1 10 10 GLU C C 10 176.400 176.400 176.469 -0.069 18818 4618 1 9 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.715 -0.815 18818 4619 1 9 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.564 0.036 18818 4620 1 9 . 1 1 10 10 GLU H H 10 8.470 8.470 8.604 -0.134 18818 4621 1 9 . 1 1 11 11 ASP N N 11 120.600 120.600 118.770 1.830 18818 4622 1 9 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.713 -0.103 18818 4623 1 9 . 1 1 11 11 ASP C C 11 176.100 176.100 175.381 0.719 18818 4624 1 9 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.680 0.620 18818 4625 1 9 . 1 1 11 11 ASP CB C 11 40.800 40.800 40.403 0.397 18818 4626 1 9 . 1 1 11 11 ASP H H 11 8.200 8.200 8.299 -0.099 18818 4627 1 9 . 1 1 12 12 ALA N N 12 123.800 123.800 123.435 0.365 18818 4628 1 9 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.260 -0.170 18818 4629 1 9 . 1 1 12 12 ALA C C 12 177.800 177.800 177.156 0.644 18818 4630 1 9 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.134 -0.634 18818 4631 1 9 . 1 1 12 12 ALA CB C 12 18.800 18.800 20.331 -1.531 18818 4632 1 9 . 1 1 12 12 ALA H H 12 8.070 8.070 7.354 0.716 18818 4633 1 9 . 1 1 13 13 GLN N N 13 118.500 118.500 118.970 -0.470 18818 4634 1 9 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.433 -0.163 18818 4635 1 9 . 1 1 13 13 GLN C C 13 175.700 175.700 176.257 -0.557 18818 4636 1 9 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.456 -0.556 18818 4637 1 9 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.162 -1.062 18818 4638 1 9 . 1 1 13 13 GLN H H 13 8.230 8.230 8.841 -0.611 18818 4639 1 9 . 1 1 14 14 GLU N N 14 120.600 120.600 119.554 1.046 18818 4640 1 9 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.151 0.149 18818 4641 1 9 . 1 1 14 14 GLU C C 14 175.800 175.800 175.642 0.158 18818 4642 1 9 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.979 -1.179 18818 4643 1 9 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.817 0.083 18818 4644 1 9 . 1 1 14 14 GLU H H 14 8.100 8.100 8.482 -0.382 18818 4645 1 9 . 1 1 15 15 PHE N N 15 121.100 121.100 117.223 3.877 18818 4646 1 9 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.714 0.166 18818 4647 1 9 . 1 1 15 15 PHE C C 15 176.900 176.900 175.692 1.208 18818 4648 1 9 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.532 -1.232 18818 4649 1 9 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.541 -1.241 18818 4650 1 9 . 1 1 15 15 PHE H H 15 8.030 8.030 7.619 0.411 18818 4651 1 9 . 1 1 16 16 SER N N 16 119.400 119.400 117.346 2.054 18818 4652 1 9 . 1 1 16 16 SER HA H 16 4.850 4.850 4.456 0.394 18818 4653 1 9 . 1 1 16 16 SER C C 16 174.800 174.800 175.502 -0.702 18818 4654 1 9 . 1 1 16 16 SER CA C 16 57.000 57.000 58.896 -1.896 18818 4655 1 9 . 1 1 16 16 SER CB C 16 65.600 65.600 64.371 1.229 18818 4656 1 9 . 1 1 16 16 SER H H 16 9.530 9.530 8.967 0.563 18818 4657 1 9 . 1 1 17 17 ASP N N 17 121.300 121.300 122.755 -1.455 18818 4658 1 9 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.379 0.171 18818 4659 1 9 . 1 1 17 17 ASP C C 17 179.700 179.700 178.641 1.059 18818 4660 1 9 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.806 0.194 18818 4661 1 9 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.783 -1.283 18818 4662 1 9 . 1 1 17 17 ASP H H 17 9.270 9.270 8.871 0.399 18818 4663 1 9 . 1 1 18 18 VAL N N 18 120.600 120.600 119.695 0.905 18818 4664 1 9 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.838 -0.158 18818 4665 1 9 . 1 1 18 18 VAL C C 18 176.900 176.900 177.002 -0.102 18818 4666 1 9 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.966 1.534 18818 4667 1 9 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.940 -0.040 18818 4668 1 9 . 1 1 18 18 VAL H H 18 8.230 8.230 7.867 0.363 18818 4669 1 9 . 1 1 19 19 GLU N N 19 121.000 121.000 119.242 1.758 18818 4670 1 9 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.149 -0.409 18818 4671 1 9 . 1 1 19 19 GLU C C 19 178.600 178.600 178.849 -0.249 18818 4672 1 9 . 1 1 19 19 GLU CA C 19 60.000 60.000 58.874 1.126 18818 4673 1 9 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.700 -1.000 18818 4674 1 9 . 1 1 19 19 GLU H H 19 8.180 8.180 7.954 0.226 18818 4675 1 9 . 1 1 20 20 ARG N N 20 118.100 118.100 117.532 0.568 18818 4676 1 9 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.010 0.290 18818 4677 1 9 . 1 1 20 20 ARG C C 20 178.700 178.700 178.167 0.533 18818 4678 1 9 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.639 0.461 18818 4679 1 9 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.888 -0.188 18818 4680 1 9 . 1 1 20 20 ARG H H 20 8.920 8.920 7.823 1.097 18818 4681 1 9 . 1 1 21 21 ALA N N 21 123.800 123.800 123.352 0.448 18818 4682 1 9 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.093 0.327 18818 4683 1 9 . 1 1 21 21 ALA C C 21 179.300 179.300 179.314 -0.014 18818 4684 1 9 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.964 0.236 18818 4685 1 9 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.621 -0.721 18818 4686 1 9 . 1 1 21 21 ALA H H 21 8.060 8.060 7.763 0.297 18818 4687 1 9 . 1 1 22 22 ILE N N 22 118.200 118.200 118.126 0.074 18818 4688 1 9 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.693 0.027 18818 4689 1 9 . 1 1 22 22 ILE C C 22 177.500 177.500 178.175 -0.675 18818 4690 1 9 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.740 0.260 18818 4691 1 9 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.865 -0.465 18818 4692 1 9 . 1 1 22 22 ILE H H 22 8.010 8.010 7.762 0.248 18818 4693 1 9 . 1 1 23 23 GLU N N 23 120.100 120.100 119.275 0.825 18818 4694 1 9 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.075 -0.115 18818 4695 1 9 . 1 1 23 23 GLU C C 23 178.000 178.000 178.968 -0.968 18818 4696 1 9 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.533 0.767 18818 4697 1 9 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.266 0.234 18818 4698 1 9 . 1 1 23 23 GLU H H 23 8.450 8.450 8.233 0.217 18818 4699 1 9 . 1 1 24 24 THR N N 24 117.300 117.300 116.737 0.563 18818 4700 1 9 . 1 1 24 24 THR HA H 24 4.010 4.010 4.114 -0.104 18818 4701 1 9 . 1 1 24 24 THR C C 24 177.000 177.000 176.683 0.317 18818 4702 1 9 . 1 1 24 24 THR CA C 24 67.100 67.100 67.031 0.069 18818 4703 1 9 . 1 1 24 24 THR CB C 24 68.200 68.200 68.571 -0.371 18818 4704 1 9 . 1 1 24 24 THR H H 24 8.720 8.720 7.790 0.930 18818 4705 1 9 . 1 1 25 25 LEU N N 25 123.400 123.400 119.812 3.588 18818 4706 1 9 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.464 -0.184 18818 4707 1 9 . 1 1 25 25 LEU C C 25 178.200 178.200 178.414 -0.214 18818 4708 1 9 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.030 1.270 18818 4709 1 9 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.672 0.028 18818 4710 1 9 . 1 1 25 25 LEU H H 25 8.150 8.150 7.697 0.453 18818 4711 1 9 . 1 1 26 26 ILE N N 26 119.500 119.500 120.974 -1.474 18818 4712 1 9 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.791 0.209 18818 4713 1 9 . 1 1 26 26 ILE C C 26 177.900 177.900 178.913 -1.013 18818 4714 1 9 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.411 0.689 18818 4715 1 9 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.632 0.668 18818 4716 1 9 . 1 1 26 26 ILE H H 26 8.510 8.510 7.879 0.631 18818 4717 1 9 . 1 1 27 27 LYS N N 27 120.500 120.500 119.295 1.205 18818 4718 1 9 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.107 0.043 18818 4719 1 9 . 1 1 27 27 LYS C C 27 179.600 179.600 178.820 0.780 18818 4720 1 9 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.693 0.407 18818 4721 1 9 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.744 0.256 18818 4722 1 9 . 1 1 27 27 LYS H H 27 9.000 9.000 8.621 0.379 18818 4723 1 9 . 1 1 28 28 ASN N N 28 117.300 117.300 116.972 0.328 18818 4724 1 9 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.656 -0.096 18818 4725 1 9 . 1 1 28 28 ASN C C 28 176.000 176.000 177.008 -1.008 18818 4726 1 9 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.253 1.447 18818 4727 1 9 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.508 1.792 18818 4728 1 9 . 1 1 28 28 ASN H H 28 7.990 7.990 7.555 0.435 18818 4729 1 9 . 1 1 29 29 PHE N N 29 119.100 119.100 122.272 -3.172 18818 4730 1 9 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.583 0.327 18818 4731 1 9 . 1 1 29 29 PHE C C 29 176.200 176.200 177.264 -1.064 18818 4732 1 9 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.826 -0.626 18818 4733 1 9 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.582 0.018 18818 4734 1 9 . 1 1 29 29 PHE H H 29 7.990 7.990 8.040 -0.050 18818 4735 1 9 . 1 1 30 30 HIS N N 30 114.700 114.700 116.144 -1.444 18818 4736 1 9 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.640 -0.320 18818 4737 1 9 . 1 1 30 30 HIS C C 30 177.400 177.400 176.625 0.775 18818 4738 1 9 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.639 -0.139 18818 4739 1 9 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.548 0.052 18818 4740 1 9 . 1 1 30 30 HIS H H 30 8.180 8.180 7.564 0.616 18818 4741 1 9 . 1 1 31 31 GLN N N 31 118.500 118.500 117.411 1.089 18818 4742 1 9 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.057 0.023 18818 4743 1 9 . 1 1 31 31 GLN C C 31 176.600 176.600 177.572 -0.972 18818 4744 1 9 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.330 -0.530 18818 4745 1 9 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.990 -0.590 18818 4746 1 9 . 1 1 31 31 GLN H H 31 8.280 8.280 8.082 0.198 18818 4747 1 9 . 1 1 32 32 TYR N N 32 115.700 115.700 116.833 -1.133 18818 4748 1 9 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.373 -0.163 18818 4749 1 9 . 1 1 32 32 TYR C C 32 174.800 174.800 177.168 -2.368 18818 4750 1 9 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.898 -0.198 18818 4751 1 9 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.185 -0.485 18818 4752 1 9 . 1 1 32 32 TYR H H 32 7.410 7.410 7.879 -0.469 18818 4753 1 9 . 1 1 33 33 SER N N 33 114.000 114.000 117.146 -3.146 18818 4754 1 9 . 1 1 33 33 SER HA H 33 4.530 4.530 4.449 0.081 18818 4755 1 9 . 1 1 33 33 SER C C 33 175.000 175.000 174.961 0.039 18818 4756 1 9 . 1 1 33 33 SER CA C 33 57.200 57.200 58.776 -1.576 18818 4757 1 9 . 1 1 33 33 SER CB C 33 63.200 63.200 61.239 1.961 18818 4758 1 9 . 1 1 33 33 SER H H 33 7.260 7.260 7.940 -0.680 18818 4759 1 9 . 1 1 34 34 VAL N N 34 126.600 126.600 118.015 8.585 18818 4760 1 9 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.015 -0.005 18818 4761 1 9 . 1 1 34 34 VAL C C 34 177.800 177.800 177.265 0.535 18818 4762 1 9 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.967 -0.567 18818 4763 1 9 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.609 0.491 18818 4764 1 9 . 1 1 34 34 VAL H H 34 8.490 8.490 7.986 0.504 18818 4765 1 9 . 1 1 35 35 GLU N N 35 122.100 122.100 119.328 2.772 18818 4766 1 9 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.359 -0.109 18818 4767 1 9 . 1 1 35 35 GLU C C 35 177.800 177.800 178.594 -0.794 18818 4768 1 9 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.325 0.175 18818 4769 1 9 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.052 -0.252 18818 4770 1 9 . 1 1 35 35 GLU H H 35 8.980 8.980 8.745 0.235 18818 4771 1 9 . 1 1 36 36 GLY N N 36 108.500 108.500 105.365 3.135 18818 4772 1 9 . 1 1 36 36 GLY C C 36 175.000 175.000 175.271 -0.271 18818 4773 1 9 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.589 -0.289 18818 4774 1 9 . 1 1 36 36 GLY H H 36 8.490 8.490 8.629 -0.139 18818 4775 1 9 . 1 1 37 37 GLY N N 37 108.700 108.700 108.721 -0.021 18818 4776 1 9 . 1 1 37 37 GLY C C 37 174.100 174.100 175.287 -1.187 18818 4777 1 9 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.051 0.749 18818 4778 1 9 . 1 1 37 37 GLY H H 37 8.140 8.140 7.761 0.379 18818 4779 1 9 . 1 1 38 38 LYS N N 38 118.000 118.000 114.517 3.483 18818 4780 1 9 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.750 0.720 18818 4781 1 9 . 1 1 38 38 LYS C C 38 176.000 176.000 176.699 -0.699 18818 4782 1 9 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.117 -3.017 18818 4783 1 9 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.407 1.293 18818 4784 1 9 . 1 1 38 38 LYS H H 38 8.050 8.050 8.468 -0.418 18818 4785 1 9 . 1 1 39 39 GLU N N 39 118.100 118.100 116.330 1.770 18818 4786 1 9 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.618 -0.058 18818 4787 1 9 . 1 1 39 39 GLU C C 39 175.600 175.600 176.812 -1.212 18818 4788 1 9 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.564 -0.764 18818 4789 1 9 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.954 -0.754 18818 4790 1 9 . 1 1 39 39 GLU H H 39 8.630 8.630 8.202 0.428 18818 4791 1 9 . 1 1 40 40 THR N N 40 108.100 108.100 110.479 -2.379 18818 4792 1 9 . 1 1 40 40 THR HA H 40 5.160 5.160 4.828 0.332 18818 4793 1 9 . 1 1 40 40 THR C C 40 173.400 173.400 173.079 0.321 18818 4794 1 9 . 1 1 40 40 THR CA C 40 59.300 59.300 59.942 -0.642 18818 4795 1 9 . 1 1 40 40 THR CB C 40 72.100 72.100 72.193 -0.093 18818 4796 1 9 . 1 1 40 40 THR H H 40 7.490 7.490 7.735 -0.245 18818 4797 1 9 . 1 1 41 41 LEU N N 41 120.700 120.700 122.985 -2.285 18818 4798 1 9 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.458 0.582 18818 4799 1 9 . 1 1 41 41 LEU C C 41 177.000 177.000 175.624 1.376 18818 4800 1 9 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.430 -0.130 18818 4801 1 9 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.588 0.712 18818 4802 1 9 . 1 1 41 41 LEU H H 41 8.660 8.660 8.518 0.142 18818 4803 1 9 . 1 1 42 42 THR N N 42 113.500 113.500 119.999 -6.499 18818 4804 1 9 . 1 1 42 42 THR HA H 42 5.000 5.000 4.763 0.237 18818 4805 1 9 . 1 1 42 42 THR C C 42 174.100 174.100 174.019 0.081 18818 4806 1 9 . 1 1 42 42 THR CA C 42 59.800 59.800 59.644 0.156 18818 4807 1 9 . 1 1 42 42 THR CB C 42 68.100 68.100 68.984 -0.884 18818 4808 1 9 . 1 1 42 42 THR H H 42 9.130 9.130 9.110 0.020 18818 4809 1 9 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.265 -0.115 18818 4810 1 9 . 1 1 43 43 PRO C C 43 178.600 178.600 178.904 -0.304 18818 4811 1 9 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.772 0.428 18818 4812 1 9 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.606 0.094 18818 4813 1 9 . 1 1 44 44 SER N N 44 111.600 111.600 112.810 -1.210 18818 4814 1 9 . 1 1 44 44 SER HA H 44 4.170 4.170 4.254 -0.084 18818 4815 1 9 . 1 1 44 44 SER C C 44 176.200 176.200 176.054 0.146 18818 4816 1 9 . 1 1 44 44 SER CA C 44 61.500 61.500 61.932 -0.432 18818 4817 1 9 . 1 1 44 44 SER CB C 44 62.200 62.200 62.866 -0.666 18818 4818 1 9 . 1 1 44 44 SER H H 44 8.090 8.090 8.553 -0.463 18818 4819 1 9 . 1 1 45 45 GLU N N 45 123.900 123.900 121.548 2.352 18818 4820 1 9 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.273 -0.013 18818 4821 1 9 . 1 1 45 45 GLU C C 45 179.000 179.000 178.180 0.820 18818 4822 1 9 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.716 1.384 18818 4823 1 9 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.664 0.036 18818 4824 1 9 . 1 1 45 45 GLU H H 45 7.700 7.700 7.511 0.189 18818 4825 1 9 . 1 1 46 46 LEU N N 46 118.900 118.900 122.598 -3.698 18818 4826 1 9 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.930 0.150 18818 4827 1 9 . 1 1 46 46 LEU C C 46 177.600 177.600 178.438 -0.838 18818 4828 1 9 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.337 -1.037 18818 4829 1 9 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.071 -1.171 18818 4830 1 9 . 1 1 46 46 LEU H H 46 8.400 8.400 8.559 -0.159 18818 4831 1 9 . 1 1 47 47 ARG N N 47 119.300 119.300 115.844 3.456 18818 4832 1 9 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.946 -0.176 18818 4833 1 9 . 1 1 47 47 ARG C C 47 178.900 178.900 178.183 0.717 18818 4834 1 9 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.830 1.171 18818 4835 1 9 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.139 -0.139 18818 4836 1 9 . 1 1 47 47 ARG H H 47 8.260 8.260 7.507 0.753 18818 4837 1 9 . 1 1 48 48 ASP N N 48 122.300 122.300 121.169 1.131 18818 4838 1 9 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.441 -0.011 18818 4839 1 9 . 1 1 48 48 ASP C C 48 176.700 176.700 178.141 -1.441 18818 4840 1 9 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.955 0.545 18818 4841 1 9 . 1 1 48 48 ASP CB C 48 39.400 39.400 40.874 -1.474 18818 4842 1 9 . 1 1 48 48 ASP H H 48 8.160 8.160 7.579 0.581 18818 4843 1 9 . 1 1 49 49 LEU N N 49 122.600 122.600 118.625 3.975 18818 4844 1 9 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.747 -0.577 18818 4845 1 9 . 1 1 49 49 LEU C C 49 179.100 179.100 178.529 0.571 18818 4846 1 9 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.468 1.532 18818 4847 1 9 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.120 0.180 18818 4848 1 9 . 1 1 49 49 LEU H H 49 7.980 7.980 7.609 0.371 18818 4849 1 9 . 1 1 50 50 VAL N N 50 118.200 118.200 121.097 -2.897 18818 4850 1 9 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.484 0.066 18818 4851 1 9 . 1 1 50 50 VAL C C 50 178.800 178.800 178.149 0.651 18818 4852 1 9 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.227 -0.827 18818 4853 1 9 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.627 -0.127 18818 4854 1 9 . 1 1 50 50 VAL H H 50 8.390 8.390 7.640 0.750 18818 4855 1 9 . 1 1 51 51 THR N N 51 115.000 115.000 113.477 1.523 18818 4856 1 9 . 1 1 51 51 THR HA H 51 3.990 3.990 4.080 -0.090 18818 4857 1 9 . 1 1 51 51 THR C C 51 176.000 176.000 176.435 -0.435 18818 4858 1 9 . 1 1 51 51 THR CA C 51 65.800 65.800 65.055 0.745 18818 4859 1 9 . 1 1 51 51 THR CB C 51 68.900 68.900 68.587 0.313 18818 4860 1 9 . 1 1 51 51 THR H H 51 8.480 8.480 7.976 0.504 18818 4861 1 9 . 1 1 52 52 GLN N N 52 116.400 116.400 118.468 -2.068 18818 4862 1 9 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.218 0.032 18818 4863 1 9 . 1 1 52 52 GLN C C 52 178.300 178.300 177.342 0.958 18818 4864 1 9 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.066 -0.266 18818 4865 1 9 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.460 -0.961 18818 4866 1 9 . 1 1 52 52 GLN H H 52 8.180 8.180 7.852 0.328 18818 4867 1 9 . 1 1 53 53 GLN N N 53 112.100 112.100 115.101 -3.001 18818 4868 1 9 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.499 0.351 18818 4869 1 9 . 1 1 53 53 GLN C C 53 176.900 176.900 176.322 0.578 18818 4870 1 9 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.117 -1.117 18818 4871 1 9 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.746 -3.346 18818 4872 1 9 . 1 1 53 53 GLN H H 53 8.490 8.490 7.856 0.634 18818 4873 1 9 . 1 1 54 54 LEU N N 54 119.800 119.800 120.542 -0.742 18818 4874 1 9 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.897 0.353 18818 4875 1 9 . 1 1 54 54 LEU C C 54 176.900 176.900 174.640 2.260 18818 4876 1 9 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.498 1.402 18818 4877 1 9 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.537 0.563 18818 4878 1 9 . 1 1 54 54 LEU H H 54 7.920 7.920 7.962 -0.042 18818 4879 1 9 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.359 0.111 18818 4880 1 9 . 1 1 55 55 PRO C C 55 178.300 178.300 177.377 0.923 18818 4881 1 9 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.149 1.151 18818 4882 1 9 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.805 -1.105 18818 4883 1 9 . 1 1 56 56 HIS N N 56 116.500 116.500 115.201 1.299 18818 4884 1 9 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.576 0.014 18818 4885 1 9 . 1 1 56 56 HIS C C 56 176.300 176.300 175.912 0.388 18818 4886 1 9 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.163 0.637 18818 4887 1 9 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.558 -1.258 18818 4888 1 9 . 1 1 56 56 HIS H H 56 9.770 9.770 8.195 1.575 18818 4889 1 9 . 1 1 57 57 LEU N N 57 116.600 116.600 121.186 -4.586 18818 4890 1 9 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.486 -0.156 18818 4891 1 9 . 1 1 57 57 LEU C C 57 176.400 176.400 176.047 0.353 18818 4892 1 9 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.563 -0.163 18818 4893 1 9 . 1 1 57 57 LEU CB C 57 42.500 42.500 43.211 -0.711 18818 4894 1 9 . 1 1 57 57 LEU H H 57 7.830 7.830 7.752 0.078 18818 4895 1 9 . 1 1 58 58 MET N N 58 118.000 118.000 115.764 2.236 18818 4896 1 9 . 1 1 58 58 MET HA H 58 4.540 4.540 5.006 -0.466 18818 4897 1 9 . 1 1 58 58 MET C C 58 171.600 171.600 173.156 -1.556 18818 4898 1 9 . 1 1 58 58 MET CA C 58 53.500 53.500 52.542 0.958 18818 4899 1 9 . 1 1 58 58 MET CB C 58 32.700 32.700 32.563 0.137 18818 4900 1 9 . 1 1 58 58 MET H H 58 7.970 7.970 7.579 0.391 18818 4901 1 9 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.690 -0.240 18818 4902 1 9 . 1 1 59 59 PRO C C 59 177.400 177.400 177.419 -0.019 18818 4903 1 9 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.274 0.826 18818 4904 1 9 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.642 -0.742 18818 4905 1 9 . 1 1 60 60 SER N N 60 114.900 114.900 117.350 -2.450 18818 4906 1 9 . 1 1 60 60 SER HA H 60 4.340 4.340 4.235 0.105 18818 4907 1 9 . 1 1 60 60 SER C C 60 174.700 174.700 175.846 -1.146 18818 4908 1 9 . 1 1 60 60 SER CA C 60 59.100 59.100 59.693 -0.593 18818 4909 1 9 . 1 1 60 60 SER CB C 60 63.200 63.200 64.265 -1.065 18818 4910 1 9 . 1 1 60 60 SER H H 60 8.360 8.360 8.537 -0.177 18818 4911 1 9 . 1 1 61 61 ASN N N 61 120.800 120.800 119.104 1.696 18818 4912 1 9 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.353 0.457 18818 4913 1 9 . 1 1 61 61 ASN C C 61 175.500 175.500 176.350 -0.850 18818 4914 1 9 . 1 1 61 61 ASN CA C 61 53.000 53.000 56.287 -3.287 18818 4915 1 9 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.349 0.551 18818 4916 1 9 . 1 1 61 61 ASN H H 61 7.990 7.990 8.876 -0.886 18818 4917 1 9 . 1 1 62 62 CYS N N 62 117.800 117.800 119.737 -1.937 18818 4918 1 9 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.341 0.248 18818 4919 1 9 . 1 1 62 62 CYS C C 62 175.300 175.300 176.654 -1.354 18818 4920 1 9 . 1 1 62 62 CYS CA C 62 59.200 59.200 63.006 -3.806 18818 4921 1 9 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.784 -0.384 18818 4922 1 9 . 1 1 62 62 CYS H H 62 8.260 8.260 8.467 -0.207 18818 4923 1 9 . 1 1 63 63 GLY N N 63 111.300 111.300 107.529 3.771 18818 4924 1 9 . 1 1 63 63 GLY C C 63 175.600 175.600 174.897 0.703 18818 4925 1 9 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.037 -0.737 18818 4926 1 9 . 1 1 63 63 GLY H H 63 8.520 8.520 8.188 0.332 18818 4927 1 9 . 1 1 64 64 LEU N N 64 122.400 122.400 116.574 5.826 18818 4928 1 9 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.382 -0.332 18818 4929 1 9 . 1 1 64 64 LEU C C 64 177.900 177.900 177.688 0.212 18818 4930 1 9 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.484 1.115 18818 4931 1 9 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.452 0.548 18818 4932 1 9 . 1 1 64 64 LEU H H 64 7.910 7.910 7.531 0.379 18818 4933 1 9 . 1 1 65 65 GLU N N 65 117.900 117.900 118.516 -0.616 18818 4934 1 9 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.083 -0.173 18818 4935 1 9 . 1 1 65 65 GLU C C 65 179.100 179.100 178.130 0.970 18818 4936 1 9 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.274 1.726 18818 4937 1 9 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.944 -1.544 18818 4938 1 9 . 1 1 65 65 GLU H H 65 8.660 8.660 7.678 0.982 18818 4939 1 9 . 1 1 66 66 GLU N N 66 120.000 120.000 119.142 0.858 18818 4940 1 9 . 1 1 66 66 GLU HA H 66 4.120 4.120 3.993 0.127 18818 4941 1 9 . 1 1 66 66 GLU C C 66 178.200 178.200 178.240 -0.040 18818 4942 1 9 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.222 -0.122 18818 4943 1 9 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.171 -0.071 18818 4944 1 9 . 1 1 66 66 GLU H H 66 8.220 8.220 7.860 0.360 18818 4945 1 9 . 1 1 67 67 LYS N N 67 119.300 119.300 117.299 2.001 18818 4946 1 9 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.188 -0.048 18818 4947 1 9 . 1 1 67 67 LYS C C 67 179.400 179.400 178.022 1.378 18818 4948 1 9 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.021 1.879 18818 4949 1 9 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.829 0.271 18818 4950 1 9 . 1 1 67 67 LYS H H 67 7.780 7.780 7.959 -0.179 18818 4951 1 9 . 1 1 68 68 ILE N N 68 118.400 118.400 120.528 -2.128 18818 4952 1 9 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.839 -0.119 18818 4953 1 9 . 1 1 68 68 ILE C C 68 177.800 177.800 176.959 0.841 18818 4954 1 9 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.846 0.654 18818 4955 1 9 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.062 -0.762 18818 4956 1 9 . 1 1 68 68 ILE H H 68 8.230 8.230 7.830 0.400 18818 4957 1 9 . 1 1 69 69 ALA N N 69 122.900 122.900 122.335 0.565 18818 4958 1 9 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.010 0.210 18818 4959 1 9 . 1 1 69 69 ALA C C 69 179.600 179.600 179.134 0.466 18818 4960 1 9 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.091 -0.691 18818 4961 1 9 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.177 -0.277 18818 4962 1 9 . 1 1 69 69 ALA H H 69 8.070 8.070 8.242 -0.172 18818 4963 1 9 . 1 1 70 70 ASN N N 70 115.400 115.400 116.436 -1.036 18818 4964 1 9 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.605 0.265 18818 4965 1 9 . 1 1 70 70 ASN C C 70 176.500 176.500 176.793 -0.293 18818 4966 1 9 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.132 -0.832 18818 4967 1 9 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.722 -0.022 18818 4968 1 9 . 1 1 70 70 ASN H H 70 7.880 7.880 8.095 -0.215 18818 4969 1 9 . 1 1 71 71 LEU N N 71 120.600 120.600 115.757 4.843 18818 4970 1 9 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.637 -0.307 18818 4971 1 9 . 1 1 71 71 LEU C C 71 178.300 178.300 176.949 1.351 18818 4972 1 9 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.648 1.652 18818 4973 1 9 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.664 -0.364 18818 4974 1 9 . 1 1 71 71 LEU H H 71 7.820 7.820 7.406 0.414 18818 4975 1 9 . 1 1 72 72 GLY N N 72 106.800 106.800 107.543 -0.743 18818 4976 1 9 . 1 1 72 72 GLY C C 72 174.400 174.400 173.817 0.583 18818 4977 1 9 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.560 1.139 18818 4978 1 9 . 1 1 72 72 GLY H H 72 8.240 8.240 8.099 0.141 18818 4979 1 9 . 1 1 73 73 SER N N 73 115.600 115.600 119.911 -4.311 18818 4980 1 9 . 1 1 73 73 SER HA H 73 4.570 4.570 4.353 0.217 18818 4981 1 9 . 1 1 73 73 SER C C 73 175.000 175.000 175.335 -0.335 18818 4982 1 9 . 1 1 73 73 SER CA C 73 58.900 58.900 59.543 -0.643 18818 4983 1 9 . 1 1 73 73 SER CB C 73 63.600 63.600 63.842 -0.242 18818 4984 1 9 . 1 1 73 73 SER H H 73 8.220 8.220 8.469 -0.249 18818 4985 1 9 . 1 1 74 74 CYS N N 74 119.300 119.300 118.581 0.719 18818 4986 1 9 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.161 0.489 18818 4987 1 9 . 1 1 74 74 CYS C C 74 174.500 174.500 173.670 0.830 18818 4988 1 9 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.828 -0.128 18818 4989 1 9 . 1 1 74 74 CYS CB C 74 27.700 27.700 26.199 1.501 18818 4990 1 9 . 1 1 74 74 CYS H H 74 8.260 8.260 8.418 -0.158 18818 4991 1 9 . 1 1 75 75 ASN N N 75 120.000 120.000 119.060 0.940 18818 4992 1 9 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.696 0.144 18818 4993 1 9 . 1 1 75 75 ASN C C 75 174.700 174.700 176.497 -1.797 18818 4994 1 9 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.057 -0.258 18818 4995 1 9 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.444 -0.544 18818 4996 1 9 . 1 1 75 75 ASN H H 75 8.430 8.430 7.870 0.560 18818 4997 1 9 . 1 1 76 76 ASP N N 76 119.200 119.200 127.086 -7.886 18818 4998 1 9 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.542 0.128 18818 4999 1 9 . 1 1 76 76 ASP C C 76 175.500 175.500 177.567 -2.067 18818 5000 1 9 . 1 1 76 76 ASP CA C 76 54.400 54.400 57.045 -2.645 18818 5001 1 9 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.114 -0.514 18818 5002 1 9 . 1 1 76 76 ASP H H 76 8.300 8.300 8.951 -0.651 18818 5003 1 9 . 1 1 77 77 SER N N 77 112.800 112.800 114.366 -1.566 18818 5004 1 9 . 1 1 77 77 SER HA H 77 4.260 4.260 4.365 -0.105 18818 5005 1 9 . 1 1 77 77 SER C C 77 173.300 173.300 174.093 -0.793 18818 5006 1 9 . 1 1 77 77 SER CA C 77 59.000 59.000 58.805 0.195 18818 5007 1 9 . 1 1 77 77 SER CB C 77 63.100 63.100 63.541 -0.441 18818 5008 1 9 . 1 1 77 77 SER H H 77 8.220 8.220 8.070 0.150 18818 5009 1 9 . 1 1 78 78 LYS N N 78 120.600 120.600 118.306 2.294 18818 5010 1 9 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.913 0.647 18818 5011 1 9 . 1 1 78 78 LYS C C 78 175.300 175.300 174.884 0.416 18818 5012 1 9 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.284 -1.684 18818 5013 1 9 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.206 1.094 18818 5014 1 9 . 1 1 78 78 LYS H H 78 7.930 7.930 7.438 0.492 18818 5015 1 9 . 1 1 79 79 LEU N N 79 123.700 123.700 122.457 1.243 18818 5016 1 9 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.499 0.281 18818 5017 1 9 . 1 1 79 79 LEU C C 79 176.100 176.100 177.226 -1.126 18818 5018 1 9 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.785 -0.585 18818 5019 1 9 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.387 -1.387 18818 5020 1 9 . 1 1 79 79 LEU H H 79 9.020 9.020 8.317 0.703 18818 5021 1 9 . 1 1 80 80 GLU N N 80 121.200 121.200 119.109 2.091 18818 5022 1 9 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.799 0.101 18818 5023 1 9 . 1 1 80 80 GLU C C 80 177.100 177.100 176.453 0.647 18818 5024 1 9 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.484 0.716 18818 5025 1 9 . 1 1 80 80 GLU CB C 80 31.600 31.600 33.176 -1.576 18818 5026 1 9 . 1 1 80 80 GLU H H 80 8.630 8.630 8.274 0.356 18818 5027 1 9 . 1 1 81 81 PHE N N 81 123.500 123.500 122.209 1.291 18818 5028 1 9 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.004 0.526 18818 5029 1 9 . 1 1 81 81 PHE C C 81 177.000 177.000 176.204 0.796 18818 5030 1 9 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.618 -0.318 18818 5031 1 9 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.185 -0.685 18818 5032 1 9 . 1 1 81 81 PHE H H 81 9.360 9.360 9.183 0.177 18818 5033 1 9 . 1 1 82 82 ARG N N 82 116.500 116.500 117.106 -0.606 18818 5034 1 9 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.161 -0.121 18818 5035 1 9 . 1 1 82 82 ARG C C 82 178.000 178.000 178.112 -0.112 18818 5036 1 9 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.569 0.631 18818 5037 1 9 . 1 1 82 82 ARG CB C 82 29.200 29.200 28.843 0.357 18818 5038 1 9 . 1 1 82 82 ARG H H 82 8.940 8.940 8.668 0.272 18818 5039 1 9 . 1 1 83 83 SER N N 83 115.700 115.700 116.514 -0.814 18818 5040 1 9 . 1 1 83 83 SER HA H 83 4.510 4.510 4.320 0.190 18818 5041 1 9 . 1 1 83 83 SER C C 83 175.800 175.800 175.856 -0.056 18818 5042 1 9 . 1 1 83 83 SER CA C 83 61.700 61.700 61.427 0.273 18818 5043 1 9 . 1 1 83 83 SER CB C 83 62.700 62.700 62.862 -0.162 18818 5044 1 9 . 1 1 83 83 SER H H 83 7.610 7.610 7.901 -0.291 18818 5045 1 9 . 1 1 84 84 PHE N N 84 122.200 122.200 122.075 0.125 18818 5046 1 9 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.363 -0.143 18818 5047 1 9 . 1 1 84 84 PHE C C 84 175.000 175.000 177.141 -2.141 18818 5048 1 9 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.815 -0.815 18818 5049 1 9 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.647 -0.447 18818 5050 1 9 . 1 1 84 84 PHE H H 84 7.490 7.490 7.602 -0.112 18818 5051 1 9 . 1 1 85 85 TRP N N 85 120.700 120.700 121.294 -0.594 18818 5052 1 9 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.141 -0.381 18818 5053 1 9 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.769 -0.969 18818 5054 1 9 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.572 -0.372 18818 5055 1 9 . 1 1 85 85 TRP H H 85 8.770 8.770 7.798 0.972 18818 5056 1 9 . 1 1 86 86 GLU N N 86 119.100 119.100 116.372 2.728 18818 5057 1 9 . 1 1 86 86 GLU HA H 86 4.080 4.080 4.019 0.061 18818 5058 1 9 . 1 1 86 86 GLU C C 86 179.100 179.100 178.440 0.660 18818 5059 1 9 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.636 0.664 18818 5060 1 9 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.082 0.418 18818 5061 1 9 . 1 1 86 86 GLU H H 86 8.150 8.150 8.031 0.119 18818 5062 1 9 . 1 1 87 87 LEU N N 87 120.800 120.800 118.532 2.268 18818 5063 1 9 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.110 -0.060 18818 5064 1 9 . 1 1 87 87 LEU C C 87 178.900 178.900 177.918 0.982 18818 5065 1 9 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.621 1.279 18818 5066 1 9 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.370 -1.070 18818 5067 1 9 . 1 1 87 87 LEU H H 87 7.600 7.600 7.481 0.119 18818 5068 1 9 . 1 1 88 88 ILE N N 88 115.200 115.200 119.844 -4.644 18818 5069 1 9 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.414 0.166 18818 5070 1 9 . 1 1 88 88 ILE C C 88 177.300 177.300 177.365 -0.065 18818 5071 1 9 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.972 -1.972 18818 5072 1 9 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.887 -1.287 18818 5073 1 9 . 1 1 88 88 ILE H H 88 7.960 7.960 7.261 0.699 18818 5074 1 9 . 1 1 89 89 GLY N N 89 108.100 108.100 106.032 2.068 18818 5075 1 9 . 1 1 89 89 GLY C C 89 175.700 175.700 174.637 1.063 18818 5076 1 9 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.665 -1.265 18818 5077 1 9 . 1 1 89 89 GLY H H 89 7.620 7.620 7.565 0.055 18818 5078 1 9 . 1 1 90 90 GLU N N 90 120.000 120.000 120.494 -0.494 18818 5079 1 9 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.236 -0.276 18818 5080 1 9 . 1 1 90 90 GLU C C 90 179.100 179.100 178.642 0.458 18818 5081 1 9 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.484 0.716 18818 5082 1 9 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.955 -1.155 18818 5083 1 9 . 1 1 90 90 GLU H H 90 7.410 7.410 7.376 0.034 18818 5084 1 9 . 1 1 91 91 ALA N N 91 122.400 122.400 123.553 -1.153 18818 5085 1 9 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.861 0.159 18818 5086 1 9 . 1 1 91 91 ALA C C 91 178.700 178.700 179.444 -0.744 18818 5087 1 9 . 1 1 91 91 ALA CA C 91 54.000 54.000 55.016 -1.016 18818 5088 1 9 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.191 -0.191 18818 5089 1 9 . 1 1 91 91 ALA H H 91 7.610 7.610 7.924 -0.314 18818 5090 1 9 . 1 1 92 92 ALA N N 92 118.000 118.000 119.231 -1.231 18818 5091 1 9 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.041 -0.371 18818 5092 1 9 . 1 1 92 92 ALA C C 92 177.900 177.900 179.737 -1.837 18818 5093 1 9 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.309 -0.409 18818 5094 1 9 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.354 -0.454 18818 5095 1 9 . 1 1 92 92 ALA H H 92 7.740 7.740 7.995 -0.255 18818 5096 1 9 . 1 1 93 93 LYS N N 93 114.600 114.600 116.243 -1.643 18818 5097 1 9 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.081 -0.311 18818 5098 1 9 . 1 1 93 93 LYS C C 93 177.000 177.000 177.240 -0.240 18818 5099 1 9 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.541 -1.041 18818 5100 1 9 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.441 -0.641 18818 5101 1 9 . 1 1 93 93 LYS H H 93 7.200 7.200 7.591 -0.391 18818 5102 1 9 . 1 1 94 94 SER N N 94 113.000 113.000 111.426 1.574 18818 5103 1 9 . 1 1 94 94 SER HA H 94 4.450 4.450 4.488 -0.038 18818 5104 1 9 . 1 1 94 94 SER C C 94 174.500 174.500 174.241 0.259 18818 5105 1 9 . 1 1 94 94 SER CA C 94 58.800 58.800 59.557 -0.757 18818 5106 1 9 . 1 1 94 94 SER CB C 94 63.900 63.900 64.218 -0.318 18818 5107 1 9 . 1 1 94 94 SER H H 94 7.530 7.530 7.609 -0.079 18818 5108 1 9 . 1 1 95 95 VAL N N 95 122.100 122.100 121.406 0.694 18818 5109 1 9 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.210 -0.270 18818 5110 1 9 . 1 1 95 95 VAL C C 95 175.400 175.400 173.315 2.085 18818 5111 1 9 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.006 1.194 18818 5112 1 9 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.836 -1.336 18818 5113 1 9 . 1 1 95 95 VAL H H 95 7.440 7.440 7.471 -0.031 18818 5114 1 9 . 1 1 96 96 LYS N N 96 126.300 126.300 126.382 -0.082 18818 5115 1 9 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.525 -0.125 18818 5116 1 9 . 1 1 96 96 LYS C C 96 176.000 176.000 175.319 0.681 18818 5117 1 9 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.479 1.021 18818 5118 1 9 . 1 1 96 96 LYS CB C 96 32.500 32.500 33.271 -0.771 18818 5119 1 9 . 1 1 96 96 LYS H H 96 8.470 8.470 7.986 0.484 18818 5120 1 9 . 1 1 97 97 LEU N N 97 123.400 123.400 124.659 -1.259 18818 5121 1 9 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.206 0.204 18818 5122 1 9 . 1 1 97 97 LEU C C 97 176.700 176.700 177.145 -0.445 18818 5123 1 9 . 1 1 97 97 LEU CA C 97 54.400 54.400 56.156 -1.756 18818 5124 1 9 . 1 1 97 97 LEU CB C 97 42.300 42.300 41.368 0.932 18818 5125 1 9 . 1 1 97 97 LEU H H 97 8.140 8.140 8.299 -0.159 18818 5126 1 9 . 1 1 98 98 GLU N N 98 121.400 121.400 123.472 -2.072 18818 5127 1 9 . 1 1 98 98 GLU HA H 98 4.340 4.340 3.781 0.559 18818 5128 1 9 . 1 1 98 98 GLU C C 98 175.900 175.900 176.442 -0.542 18818 5129 1 9 . 1 1 98 98 GLU CA C 98 56.200 56.200 58.755 -2.555 18818 5130 1 9 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.013 1.087 18818 5131 1 9 . 1 1 98 98 GLU H H 98 8.320 8.320 8.810 -0.490 18818 5132 1 9 . 1 1 99 99 ARG N N 99 122.800 122.800 116.200 6.600 18818 5133 1 9 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.054 0.756 18818 5134 1 9 . 1 1 99 99 ARG C C 99 173.900 173.900 174.228 -0.328 18818 5135 1 9 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.327 -1.727 18818 5136 1 9 . 1 1 99 99 ARG CB C 99 29.900 29.900 27.685 2.215 18818 5137 1 9 . 1 1 99 99 ARG H H 99 8.280 8.280 8.186 0.094 18818 5138 1 9 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.451 0.069 18818 5139 1 9 . 1 1 100 100 PRO C C 100 176.700 176.700 175.473 1.227 18818 5140 1 9 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.605 0.195 18818 5141 1 9 . 1 1 100 100 PRO CB C 100 31.700 31.700 30.315 1.385 18818 5142 1 9 . 1 1 101 101 VAL N N 101 120.500 120.500 120.640 -0.140 18818 5143 1 9 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.324 -0.194 18818 5144 1 9 . 1 1 101 101 VAL C C 101 176.000 176.000 174.281 1.719 18818 5145 1 9 . 1 1 101 101 VAL CA C 101 62.100 62.100 60.890 1.210 18818 5146 1 9 . 1 1 101 101 VAL CB C 101 32.200 32.200 35.279 -3.079 18818 5147 1 9 . 1 1 101 101 VAL H H 101 8.230 8.230 8.110 0.120 18818 5148 1 9 . 1 1 102 102 ARG N N 102 124.600 124.600 129.113 -4.513 18818 5149 1 9 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.128 0.292 18818 5150 1 9 . 1 1 102 102 ARG C C 102 176.400 176.400 176.804 -0.404 18818 5151 1 9 . 1 1 102 102 ARG CA C 102 55.900 55.900 57.915 -2.015 18818 5152 1 9 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.506 0.194 18818 5153 1 9 . 1 1 102 102 ARG H H 102 8.390 8.390 8.750 -0.360 18818 5154 1 9 . 1 1 103 103 GLY N N 103 110.400 110.400 114.767 -4.367 18818 5155 1 9 . 1 1 103 103 GLY C C 103 172.900 172.900 174.512 -1.612 18818 5156 1 9 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.151 -0.151 18818 5157 1 9 . 1 1 103 103 GLY H H 103 8.400 8.400 8.818 -0.418 18818 5158 1 10 . 1 1 5 5 ARG N N 5 124.100 124.100 123.958 0.142 18818 5159 1 10 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.086 -0.036 18818 5160 1 10 . 1 1 5 5 ARG C C 5 173.800 173.800 175.010 -1.210 18818 5161 1 10 . 1 1 5 5 ARG CA C 5 56.000 56.000 57.135 -1.135 18818 5162 1 10 . 1 1 5 5 ARG CB C 5 30.700 30.700 29.155 1.545 18818 5163 1 10 . 1 1 5 5 ARG H H 5 8.570 8.570 8.537 0.033 18818 5164 1 10 . 1 1 6 6 SER N N 6 117.500 117.500 117.226 0.274 18818 5165 1 10 . 1 1 6 6 SER HA H 6 4.510 4.510 4.625 -0.115 18818 5166 1 10 . 1 1 6 6 SER C C 6 174.100 174.100 173.913 0.187 18818 5167 1 10 . 1 1 6 6 SER CA C 6 58.000 58.000 58.127 -0.127 18818 5168 1 10 . 1 1 6 6 SER CB C 6 63.700 63.700 64.701 -1.001 18818 5169 1 10 . 1 1 6 6 SER H H 6 8.370 8.370 8.460 -0.090 18818 5170 1 10 . 1 1 7 7 ALA N N 7 125.900 125.900 126.357 -0.457 18818 5171 1 10 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.538 -0.138 18818 5172 1 10 . 1 1 7 7 ALA C C 7 177.200 177.200 176.475 0.725 18818 5173 1 10 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.014 0.586 18818 5174 1 10 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.417 -0.417 18818 5175 1 10 . 1 1 7 7 ALA H H 7 8.410 8.410 8.530 -0.120 18818 5176 1 10 . 1 1 8 8 ASN N N 8 117.400 117.400 118.492 -1.092 18818 5177 1 10 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.778 -0.008 18818 5178 1 10 . 1 1 8 8 ASN C C 8 174.900 174.900 176.846 -1.946 18818 5179 1 10 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.375 -0.475 18818 5180 1 10 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.769 -0.969 18818 5181 1 10 . 1 1 8 8 ASN H H 8 8.360 8.360 7.617 0.743 18818 5182 1 10 . 1 1 9 9 ALA N N 9 124.400 124.400 129.281 -4.881 18818 5183 1 10 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.738 0.612 18818 5184 1 10 . 1 1 9 9 ALA C C 9 177.800 177.800 177.424 0.376 18818 5185 1 10 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.828 -2.128 18818 5186 1 10 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.790 1.110 18818 5187 1 10 . 1 1 9 9 ALA H H 9 8.270 8.270 9.518 -1.248 18818 5188 1 10 . 1 1 10 10 GLU N N 10 119.300 119.300 117.601 1.699 18818 5189 1 10 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.230 0.080 18818 5190 1 10 . 1 1 10 10 GLU C C 10 176.400 176.400 176.766 -0.366 18818 5191 1 10 . 1 1 10 10 GLU CA C 10 56.900 56.900 56.959 -0.059 18818 5192 1 10 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.751 -0.151 18818 5193 1 10 . 1 1 10 10 GLU H H 10 8.470 8.470 8.136 0.334 18818 5194 1 10 . 1 1 11 11 ASP N N 11 120.600 120.600 119.727 0.873 18818 5195 1 10 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.630 -0.020 18818 5196 1 10 . 1 1 11 11 ASP C C 11 176.100 176.100 175.321 0.779 18818 5197 1 10 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.082 1.218 18818 5198 1 10 . 1 1 11 11 ASP CB C 11 40.800 40.800 40.804 -0.004 18818 5199 1 10 . 1 1 11 11 ASP H H 11 8.200 8.200 7.991 0.209 18818 5200 1 10 . 1 1 12 12 ALA N N 12 123.800 123.800 120.756 3.044 18818 5201 1 10 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.630 0.460 18818 5202 1 10 . 1 1 12 12 ALA C C 12 177.800 177.800 175.910 1.890 18818 5203 1 10 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.691 -0.191 18818 5204 1 10 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.151 1.649 18818 5205 1 10 . 1 1 12 12 ALA H H 12 8.070 8.070 7.301 0.769 18818 5206 1 10 . 1 1 13 13 GLN N N 13 118.500 118.500 117.338 1.162 18818 5207 1 10 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.218 0.052 18818 5208 1 10 . 1 1 13 13 GLN C C 13 175.700 175.700 176.536 -0.836 18818 5209 1 10 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.986 -0.086 18818 5210 1 10 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.053 -0.953 18818 5211 1 10 . 1 1 13 13 GLN H H 13 8.230 8.230 8.108 0.122 18818 5212 1 10 . 1 1 14 14 GLU N N 14 120.600 120.600 119.542 1.058 18818 5213 1 10 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.185 0.115 18818 5214 1 10 . 1 1 14 14 GLU C C 14 175.800 175.800 176.851 -1.051 18818 5215 1 10 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.805 -2.005 18818 5216 1 10 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.846 0.054 18818 5217 1 10 . 1 1 14 14 GLU H H 14 8.100 8.100 8.418 -0.318 18818 5218 1 10 . 1 1 15 15 PHE N N 15 121.100 121.100 116.885 4.215 18818 5219 1 10 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.627 0.253 18818 5220 1 10 . 1 1 15 15 PHE C C 15 176.900 176.900 176.642 0.258 18818 5221 1 10 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.285 -0.985 18818 5222 1 10 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.212 0.088 18818 5223 1 10 . 1 1 15 15 PHE H H 15 8.030 8.030 7.608 0.422 18818 5224 1 10 . 1 1 16 16 SER N N 16 119.400 119.400 116.650 2.750 18818 5225 1 10 . 1 1 16 16 SER HA H 16 4.850 4.850 4.499 0.351 18818 5226 1 10 . 1 1 16 16 SER C C 16 174.800 174.800 175.448 -0.648 18818 5227 1 10 . 1 1 16 16 SER CA C 16 57.000 57.000 57.332 -0.332 18818 5228 1 10 . 1 1 16 16 SER CB C 16 65.600 65.600 64.591 1.009 18818 5229 1 10 . 1 1 16 16 SER H H 16 9.530 9.530 9.279 0.251 18818 5230 1 10 . 1 1 17 17 ASP N N 17 121.300 121.300 123.032 -1.732 18818 5231 1 10 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.464 0.086 18818 5232 1 10 . 1 1 17 17 ASP C C 17 179.700 179.700 177.825 1.875 18818 5233 1 10 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.795 0.204 18818 5234 1 10 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.619 -1.119 18818 5235 1 10 . 1 1 17 17 ASP H H 17 9.270 9.270 8.920 0.350 18818 5236 1 10 . 1 1 18 18 VAL N N 18 120.600 120.600 119.597 1.003 18818 5237 1 10 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.945 -0.265 18818 5238 1 10 . 1 1 18 18 VAL C C 18 176.900 176.900 177.277 -0.377 18818 5239 1 10 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.039 1.461 18818 5240 1 10 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.873 0.027 18818 5241 1 10 . 1 1 18 18 VAL H H 18 8.230 8.230 7.817 0.413 18818 5242 1 10 . 1 1 19 19 GLU N N 19 121.000 121.000 120.315 0.685 18818 5243 1 10 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.066 -0.326 18818 5244 1 10 . 1 1 19 19 GLU C C 19 178.600 178.600 179.216 -0.616 18818 5245 1 10 . 1 1 19 19 GLU CA C 19 60.000 60.000 60.090 -0.090 18818 5246 1 10 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.377 -0.677 18818 5247 1 10 . 1 1 19 19 GLU H H 19 8.180 8.180 8.685 -0.505 18818 5248 1 10 . 1 1 20 20 ARG N N 20 118.100 118.100 117.803 0.297 18818 5249 1 10 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.308 -0.008 18818 5250 1 10 . 1 1 20 20 ARG C C 20 178.700 178.700 178.529 0.171 18818 5251 1 10 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.049 0.051 18818 5252 1 10 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.012 -0.312 18818 5253 1 10 . 1 1 20 20 ARG H H 20 8.920 8.920 8.797 0.123 18818 5254 1 10 . 1 1 21 21 ALA N N 21 123.800 123.800 122.988 0.812 18818 5255 1 10 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.216 0.204 18818 5256 1 10 . 1 1 21 21 ALA C C 21 179.300 179.300 179.771 -0.471 18818 5257 1 10 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.917 0.283 18818 5258 1 10 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.041 -0.141 18818 5259 1 10 . 1 1 21 21 ALA H H 21 8.060 8.060 7.579 0.481 18818 5260 1 10 . 1 1 22 22 ILE N N 22 118.200 118.200 118.995 -0.795 18818 5261 1 10 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.646 0.074 18818 5262 1 10 . 1 1 22 22 ILE C C 22 177.500 177.500 178.135 -0.635 18818 5263 1 10 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.826 0.174 18818 5264 1 10 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.721 -0.321 18818 5265 1 10 . 1 1 22 22 ILE H H 22 8.010 8.010 7.957 0.053 18818 5266 1 10 . 1 1 23 23 GLU N N 23 120.100 120.100 119.763 0.337 18818 5267 1 10 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.077 -0.117 18818 5268 1 10 . 1 1 23 23 GLU C C 23 178.000 178.000 179.202 -1.202 18818 5269 1 10 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.965 0.335 18818 5270 1 10 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.476 0.024 18818 5271 1 10 . 1 1 23 23 GLU H H 23 8.450 8.450 7.867 0.583 18818 5272 1 10 . 1 1 24 24 THR N N 24 117.300 117.300 115.694 1.606 18818 5273 1 10 . 1 1 24 24 THR HA H 24 4.010 4.010 4.148 -0.138 18818 5274 1 10 . 1 1 24 24 THR C C 24 177.000 177.000 176.382 0.618 18818 5275 1 10 . 1 1 24 24 THR CA C 24 67.100 67.100 66.525 0.575 18818 5276 1 10 . 1 1 24 24 THR CB C 24 68.200 68.200 68.719 -0.520 18818 5277 1 10 . 1 1 24 24 THR H H 24 8.720 8.720 7.911 0.809 18818 5278 1 10 . 1 1 25 25 LEU N N 25 123.400 123.400 121.371 2.029 18818 5279 1 10 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.403 -0.123 18818 5280 1 10 . 1 1 25 25 LEU C C 25 178.200 178.200 178.648 -0.448 18818 5281 1 10 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.105 1.195 18818 5282 1 10 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.805 -0.105 18818 5283 1 10 . 1 1 25 25 LEU H H 25 8.150 8.150 7.979 0.171 18818 5284 1 10 . 1 1 26 26 ILE N N 26 119.500 119.500 120.845 -1.345 18818 5285 1 10 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.930 0.070 18818 5286 1 10 . 1 1 26 26 ILE C C 26 177.900 177.900 177.618 0.282 18818 5287 1 10 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.589 0.511 18818 5288 1 10 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.921 -0.621 18818 5289 1 10 . 1 1 26 26 ILE H H 26 8.510 8.510 8.182 0.328 18818 5290 1 10 . 1 1 27 27 LYS N N 27 120.500 120.500 119.615 0.885 18818 5291 1 10 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.083 1.067 18818 5292 1 10 . 1 1 27 27 LYS C C 27 179.600 179.600 178.521 1.079 18818 5293 1 10 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.912 1.188 18818 5294 1 10 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.405 0.595 18818 5295 1 10 . 1 1 27 27 LYS H H 27 9.000 9.000 8.096 0.904 18818 5296 1 10 . 1 1 28 28 ASN N N 28 117.300 117.300 117.141 0.159 18818 5297 1 10 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.640 -0.080 18818 5298 1 10 . 1 1 28 28 ASN C C 28 176.000 176.000 177.326 -1.326 18818 5299 1 10 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.894 1.806 18818 5300 1 10 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.770 1.530 18818 5301 1 10 . 1 1 28 28 ASN H H 28 7.990 7.990 7.631 0.359 18818 5302 1 10 . 1 1 29 29 PHE N N 29 119.100 119.100 121.735 -2.635 18818 5303 1 10 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.853 0.057 18818 5304 1 10 . 1 1 29 29 PHE C C 29 176.200 176.200 176.792 -0.592 18818 5305 1 10 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.902 -0.702 18818 5306 1 10 . 1 1 29 29 PHE CB C 29 38.600 38.600 39.086 -0.486 18818 5307 1 10 . 1 1 29 29 PHE H H 29 7.990 7.990 8.315 -0.325 18818 5308 1 10 . 1 1 30 30 HIS N N 30 114.700 114.700 115.250 -0.550 18818 5309 1 10 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.381 -0.061 18818 5310 1 10 . 1 1 30 30 HIS C C 30 177.400 177.400 176.806 0.594 18818 5311 1 10 . 1 1 30 30 HIS CA C 30 58.500 58.500 57.853 0.647 18818 5312 1 10 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.832 -0.232 18818 5313 1 10 . 1 1 30 30 HIS H H 30 8.180 8.180 7.718 0.462 18818 5314 1 10 . 1 1 31 31 GLN N N 31 118.500 118.500 116.366 2.134 18818 5315 1 10 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.146 -0.066 18818 5316 1 10 . 1 1 31 31 GLN C C 31 176.600 176.600 176.250 0.350 18818 5317 1 10 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.370 0.430 18818 5318 1 10 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.451 -1.051 18818 5319 1 10 . 1 1 31 31 GLN H H 31 8.280 8.280 8.057 0.223 18818 5320 1 10 . 1 1 32 32 TYR N N 32 115.700 115.700 118.035 -2.335 18818 5321 1 10 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.504 -0.294 18818 5322 1 10 . 1 1 32 32 TYR C C 32 174.800 174.800 175.756 -0.956 18818 5323 1 10 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.810 0.890 18818 5324 1 10 . 1 1 32 32 TYR CB C 32 38.700 38.700 41.073 -2.373 18818 5325 1 10 . 1 1 32 32 TYR H H 32 7.410 7.410 7.542 -0.132 18818 5326 1 10 . 1 1 33 33 SER N N 33 114.000 114.000 116.776 -2.776 18818 5327 1 10 . 1 1 33 33 SER HA H 33 4.530 4.530 4.504 0.026 18818 5328 1 10 . 1 1 33 33 SER C C 33 175.000 175.000 174.885 0.115 18818 5329 1 10 . 1 1 33 33 SER CA C 33 57.200 57.200 57.391 -0.191 18818 5330 1 10 . 1 1 33 33 SER CB C 33 63.200 63.200 61.290 1.910 18818 5331 1 10 . 1 1 33 33 SER H H 33 7.260 7.260 7.973 -0.713 18818 5332 1 10 . 1 1 34 34 VAL N N 34 126.600 126.600 126.613 -0.013 18818 5333 1 10 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.904 0.106 18818 5334 1 10 . 1 1 34 34 VAL C C 34 177.800 177.800 177.129 0.671 18818 5335 1 10 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.366 0.034 18818 5336 1 10 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.843 0.256 18818 5337 1 10 . 1 1 34 34 VAL H H 34 8.490 8.490 8.202 0.288 18818 5338 1 10 . 1 1 35 35 GLU N N 35 122.100 122.100 119.888 2.212 18818 5339 1 10 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.195 0.055 18818 5340 1 10 . 1 1 35 35 GLU C C 35 177.800 177.800 178.467 -0.667 18818 5341 1 10 . 1 1 35 35 GLU CA C 35 57.500 57.500 58.066 -0.566 18818 5342 1 10 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.117 -0.317 18818 5343 1 10 . 1 1 35 35 GLU H H 35 8.980 8.980 8.768 0.212 18818 5344 1 10 . 1 1 36 36 GLY N N 36 108.500 108.500 106.112 2.388 18818 5345 1 10 . 1 1 36 36 GLY C C 36 175.000 175.000 175.042 -0.042 18818 5346 1 10 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.080 0.220 18818 5347 1 10 . 1 1 36 36 GLY H H 36 8.490 8.490 8.325 0.165 18818 5348 1 10 . 1 1 37 37 GLY N N 37 108.700 108.700 107.097 1.603 18818 5349 1 10 . 1 1 37 37 GLY C C 37 174.100 174.100 174.316 -0.216 18818 5350 1 10 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.596 0.204 18818 5351 1 10 . 1 1 37 37 GLY H H 37 8.140 8.140 7.584 0.556 18818 5352 1 10 . 1 1 38 38 LYS N N 38 118.000 118.000 114.749 3.251 18818 5353 1 10 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.833 0.637 18818 5354 1 10 . 1 1 38 38 LYS C C 38 176.000 176.000 176.373 -0.373 18818 5355 1 10 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.779 -1.679 18818 5356 1 10 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.405 2.295 18818 5357 1 10 . 1 1 38 38 LYS H H 38 8.050 8.050 8.064 -0.014 18818 5358 1 10 . 1 1 39 39 GLU N N 39 118.100 118.100 115.665 2.435 18818 5359 1 10 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.545 0.015 18818 5360 1 10 . 1 1 39 39 GLU C C 39 175.600 175.600 176.472 -0.872 18818 5361 1 10 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.273 -0.473 18818 5362 1 10 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.583 -1.383 18818 5363 1 10 . 1 1 39 39 GLU H H 39 8.630 8.630 8.243 0.387 18818 5364 1 10 . 1 1 40 40 THR N N 40 108.100 108.100 110.404 -2.304 18818 5365 1 10 . 1 1 40 40 THR HA H 40 5.160 5.160 4.870 0.290 18818 5366 1 10 . 1 1 40 40 THR C C 40 173.400 173.400 172.395 1.005 18818 5367 1 10 . 1 1 40 40 THR CA C 40 59.300 59.300 60.153 -0.853 18818 5368 1 10 . 1 1 40 40 THR CB C 40 72.100 72.100 72.072 0.028 18818 5369 1 10 . 1 1 40 40 THR H H 40 7.490 7.490 8.129 -0.639 18818 5370 1 10 . 1 1 41 41 LEU N N 41 120.700 120.700 122.415 -1.715 18818 5371 1 10 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.803 0.237 18818 5372 1 10 . 1 1 41 41 LEU C C 41 177.000 177.000 175.513 1.487 18818 5373 1 10 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.280 -0.980 18818 5374 1 10 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.334 -0.034 18818 5375 1 10 . 1 1 41 41 LEU H H 41 8.660 8.660 8.423 0.237 18818 5376 1 10 . 1 1 42 42 THR N N 42 113.500 113.500 118.479 -4.979 18818 5377 1 10 . 1 1 42 42 THR HA H 42 5.000 5.000 4.916 0.084 18818 5378 1 10 . 1 1 42 42 THR C C 42 174.100 174.100 174.106 -0.006 18818 5379 1 10 . 1 1 42 42 THR CA C 42 59.800 59.800 59.584 0.215 18818 5380 1 10 . 1 1 42 42 THR CB C 42 68.100 68.100 69.649 -1.549 18818 5381 1 10 . 1 1 42 42 THR H H 42 9.130 9.130 8.635 0.495 18818 5382 1 10 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.049 0.101 18818 5383 1 10 . 1 1 43 43 PRO C C 43 178.600 178.600 178.406 0.194 18818 5384 1 10 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.634 -0.434 18818 5385 1 10 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.547 0.152 18818 5386 1 10 . 1 1 44 44 SER N N 44 111.600 111.600 110.916 0.684 18818 5387 1 10 . 1 1 44 44 SER HA H 44 4.170 4.170 4.339 -0.169 18818 5388 1 10 . 1 1 44 44 SER C C 44 176.200 176.200 176.233 -0.033 18818 5389 1 10 . 1 1 44 44 SER CA C 44 61.500 61.500 61.510 -0.010 18818 5390 1 10 . 1 1 44 44 SER CB C 44 62.200 62.200 62.946 -0.746 18818 5391 1 10 . 1 1 44 44 SER H H 44 8.090 8.090 8.686 -0.596 18818 5392 1 10 . 1 1 45 45 GLU N N 45 123.900 123.900 121.267 2.633 18818 5393 1 10 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.365 -0.105 18818 5394 1 10 . 1 1 45 45 GLU C C 45 179.000 179.000 178.238 0.762 18818 5395 1 10 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.861 1.239 18818 5396 1 10 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.572 0.128 18818 5397 1 10 . 1 1 45 45 GLU H H 45 7.700 7.700 7.835 -0.135 18818 5398 1 10 . 1 1 46 46 LEU N N 46 118.900 118.900 123.102 -4.202 18818 5399 1 10 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.935 0.145 18818 5400 1 10 . 1 1 46 46 LEU C C 46 177.600 177.600 178.683 -1.083 18818 5401 1 10 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.540 -1.240 18818 5402 1 10 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.057 -1.157 18818 5403 1 10 . 1 1 46 46 LEU H H 46 8.400 8.400 8.603 -0.203 18818 5404 1 10 . 1 1 47 47 ARG N N 47 119.300 119.300 116.713 2.587 18818 5405 1 10 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.958 -0.188 18818 5406 1 10 . 1 1 47 47 ARG C C 47 178.900 178.900 178.636 0.264 18818 5407 1 10 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.515 0.485 18818 5408 1 10 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.965 -0.965 18818 5409 1 10 . 1 1 47 47 ARG H H 47 8.260 8.260 8.178 0.082 18818 5410 1 10 . 1 1 48 48 ASP N N 48 122.300 122.300 119.704 2.596 18818 5411 1 10 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.581 -0.151 18818 5412 1 10 . 1 1 48 48 ASP C C 48 176.700 176.700 178.005 -1.305 18818 5413 1 10 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.747 0.753 18818 5414 1 10 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.337 -1.937 18818 5415 1 10 . 1 1 48 48 ASP H H 48 8.160 8.160 7.524 0.636 18818 5416 1 10 . 1 1 49 49 LEU N N 49 122.600 122.600 119.331 3.269 18818 5417 1 10 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.721 -0.551 18818 5418 1 10 . 1 1 49 49 LEU C C 49 179.100 179.100 178.191 0.909 18818 5419 1 10 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.666 1.334 18818 5420 1 10 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.121 0.179 18818 5421 1 10 . 1 1 49 49 LEU H H 49 7.980 7.980 7.963 0.017 18818 5422 1 10 . 1 1 50 50 VAL N N 50 118.200 118.200 120.036 -1.836 18818 5423 1 10 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.615 -0.065 18818 5424 1 10 . 1 1 50 50 VAL C C 50 178.800 178.800 178.170 0.630 18818 5425 1 10 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.852 -0.452 18818 5426 1 10 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.312 0.188 18818 5427 1 10 . 1 1 50 50 VAL H H 50 8.390 8.390 7.906 0.484 18818 5428 1 10 . 1 1 51 51 THR N N 51 115.000 115.000 112.482 2.518 18818 5429 1 10 . 1 1 51 51 THR HA H 51 3.990 3.990 4.075 -0.085 18818 5430 1 10 . 1 1 51 51 THR C C 51 176.000 176.000 175.885 0.115 18818 5431 1 10 . 1 1 51 51 THR CA C 51 65.800 65.800 64.962 0.838 18818 5432 1 10 . 1 1 51 51 THR CB C 51 68.900 68.900 68.826 0.074 18818 5433 1 10 . 1 1 51 51 THR H H 51 8.480 8.480 7.794 0.686 18818 5434 1 10 . 1 1 52 52 GLN N N 52 116.400 116.400 118.972 -2.572 18818 5435 1 10 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.191 0.059 18818 5436 1 10 . 1 1 52 52 GLN C C 52 178.300 178.300 177.677 0.623 18818 5437 1 10 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.305 -0.505 18818 5438 1 10 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.292 -0.792 18818 5439 1 10 . 1 1 52 52 GLN H H 52 8.180 8.180 7.734 0.446 18818 5440 1 10 . 1 1 53 53 GLN N N 53 112.100 112.100 115.923 -3.823 18818 5441 1 10 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.532 0.318 18818 5442 1 10 . 1 1 53 53 GLN C C 53 176.900 176.900 176.141 0.759 18818 5443 1 10 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.497 -1.497 18818 5444 1 10 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.499 -2.099 18818 5445 1 10 . 1 1 53 53 GLN H H 53 8.490 8.490 8.121 0.369 18818 5446 1 10 . 1 1 54 54 LEU N N 54 119.800 119.800 119.522 0.278 18818 5447 1 10 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.875 0.375 18818 5448 1 10 . 1 1 54 54 LEU C C 54 176.900 176.900 174.753 2.147 18818 5449 1 10 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.738 1.162 18818 5450 1 10 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.303 0.797 18818 5451 1 10 . 1 1 54 54 LEU H H 54 7.920 7.920 7.756 0.164 18818 5452 1 10 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.577 -0.107 18818 5453 1 10 . 1 1 55 55 PRO C C 55 178.300 178.300 177.564 0.736 18818 5454 1 10 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.385 0.915 18818 5455 1 10 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.686 -0.986 18818 5456 1 10 . 1 1 56 56 HIS N N 56 116.500 116.500 115.930 0.570 18818 5457 1 10 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.448 0.142 18818 5458 1 10 . 1 1 56 56 HIS C C 56 176.300 176.300 176.110 0.190 18818 5459 1 10 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.181 -0.381 18818 5460 1 10 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.273 -0.973 18818 5461 1 10 . 1 1 56 56 HIS H H 56 9.770 9.770 8.129 1.641 18818 5462 1 10 . 1 1 57 57 LEU N N 57 116.600 116.600 119.416 -2.816 18818 5463 1 10 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.388 -0.058 18818 5464 1 10 . 1 1 57 57 LEU C C 57 176.400 176.400 176.349 0.051 18818 5465 1 10 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.930 -0.530 18818 5466 1 10 . 1 1 57 57 LEU CB C 57 42.500 42.500 43.116 -0.616 18818 5467 1 10 . 1 1 57 57 LEU H H 57 7.830 7.830 7.822 0.008 18818 5468 1 10 . 1 1 58 58 MET N N 58 118.000 118.000 114.364 3.636 18818 5469 1 10 . 1 1 58 58 MET HA H 58 4.540 4.540 4.975 -0.435 18818 5470 1 10 . 1 1 58 58 MET C C 58 171.600 171.600 173.381 -1.781 18818 5471 1 10 . 1 1 58 58 MET CA C 58 53.500 53.500 53.007 0.493 18818 5472 1 10 . 1 1 58 58 MET CB C 58 32.700 32.700 33.825 -1.125 18818 5473 1 10 . 1 1 58 58 MET H H 58 7.970 7.970 7.912 0.058 18818 5474 1 10 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.603 -0.153 18818 5475 1 10 . 1 1 59 59 PRO C C 59 177.400 177.400 178.577 -1.177 18818 5476 1 10 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.622 0.478 18818 5477 1 10 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.655 -0.755 18818 5478 1 10 . 1 1 60 60 SER N N 60 114.900 114.900 115.935 -1.035 18818 5479 1 10 . 1 1 60 60 SER HA H 60 4.340 4.340 4.014 0.326 18818 5480 1 10 . 1 1 60 60 SER C C 60 174.700 174.700 176.513 -1.813 18818 5481 1 10 . 1 1 60 60 SER CA C 60 59.100 59.100 61.456 -2.356 18818 5482 1 10 . 1 1 60 60 SER CB C 60 63.200 63.200 62.953 0.247 18818 5483 1 10 . 1 1 60 60 SER H H 60 8.360 8.360 8.755 -0.395 18818 5484 1 10 . 1 1 61 61 ASN N N 61 120.800 120.800 120.868 -0.068 18818 5485 1 10 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.552 0.258 18818 5486 1 10 . 1 1 61 61 ASN C C 61 175.500 175.500 176.416 -0.916 18818 5487 1 10 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.084 -2.084 18818 5488 1 10 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.498 -0.598 18818 5489 1 10 . 1 1 61 61 ASN H H 61 7.990 7.990 8.567 -0.577 18818 5490 1 10 . 1 1 62 62 CYS N N 62 117.800 117.800 117.223 0.577 18818 5491 1 10 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.366 0.224 18818 5492 1 10 . 1 1 62 62 CYS C C 62 175.300 175.300 175.113 0.187 18818 5493 1 10 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.605 -1.405 18818 5494 1 10 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.790 -0.390 18818 5495 1 10 . 1 1 62 62 CYS H H 62 8.260 8.260 7.770 0.490 18818 5496 1 10 . 1 1 63 63 GLY N N 63 111.300 111.300 109.412 1.888 18818 5497 1 10 . 1 1 63 63 GLY C C 63 175.600 175.600 175.190 0.410 18818 5498 1 10 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.851 1.449 18818 5499 1 10 . 1 1 63 63 GLY H H 63 8.520 8.520 7.736 0.784 18818 5500 1 10 . 1 1 64 64 LEU N N 64 122.400 122.400 120.545 1.855 18818 5501 1 10 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.253 -0.203 18818 5502 1 10 . 1 1 64 64 LEU C C 64 177.900 177.900 177.853 0.047 18818 5503 1 10 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.040 1.560 18818 5504 1 10 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.303 0.697 18818 5505 1 10 . 1 1 64 64 LEU H H 64 7.910 7.910 8.439 -0.529 18818 5506 1 10 . 1 1 65 65 GLU N N 65 117.900 117.900 117.462 0.438 18818 5507 1 10 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.970 -0.060 18818 5508 1 10 . 1 1 65 65 GLU C C 65 179.100 179.100 177.416 1.684 18818 5509 1 10 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.447 1.553 18818 5510 1 10 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.699 -0.299 18818 5511 1 10 . 1 1 65 65 GLU H H 65 8.660 8.660 8.469 0.191 18818 5512 1 10 . 1 1 66 66 GLU N N 66 120.000 120.000 120.273 -0.273 18818 5513 1 10 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.082 0.038 18818 5514 1 10 . 1 1 66 66 GLU C C 66 178.200 178.200 178.389 -0.189 18818 5515 1 10 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.968 0.132 18818 5516 1 10 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.459 -0.359 18818 5517 1 10 . 1 1 66 66 GLU H H 66 8.220 8.220 7.753 0.467 18818 5518 1 10 . 1 1 67 67 LYS N N 67 119.300 119.300 118.234 1.066 18818 5519 1 10 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.023 0.117 18818 5520 1 10 . 1 1 67 67 LYS C C 67 179.400 179.400 178.971 0.429 18818 5521 1 10 . 1 1 67 67 LYS CA C 67 58.900 58.900 59.158 -0.258 18818 5522 1 10 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.700 0.400 18818 5523 1 10 . 1 1 67 67 LYS H H 67 7.780 7.780 7.816 -0.036 18818 5524 1 10 . 1 1 68 68 ILE N N 68 118.400 118.400 118.682 -0.282 18818 5525 1 10 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.810 -0.090 18818 5526 1 10 . 1 1 68 68 ILE C C 68 177.800 177.800 177.624 0.176 18818 5527 1 10 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.430 0.071 18818 5528 1 10 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.633 -0.333 18818 5529 1 10 . 1 1 68 68 ILE H H 68 8.230 8.230 7.353 0.877 18818 5530 1 10 . 1 1 69 69 ALA N N 69 122.900 122.900 120.545 2.355 18818 5531 1 10 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.100 0.120 18818 5532 1 10 . 1 1 69 69 ALA C C 69 179.600 179.600 178.630 0.970 18818 5533 1 10 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.496 -0.096 18818 5534 1 10 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.292 -0.392 18818 5535 1 10 . 1 1 69 69 ALA H H 69 8.070 8.070 7.707 0.363 18818 5536 1 10 . 1 1 70 70 ASN N N 70 115.400 115.400 115.971 -0.571 18818 5537 1 10 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.694 0.176 18818 5538 1 10 . 1 1 70 70 ASN C C 70 176.500 176.500 177.246 -0.746 18818 5539 1 10 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.874 -0.574 18818 5540 1 10 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.584 -0.884 18818 5541 1 10 . 1 1 70 70 ASN H H 70 7.880 7.880 7.726 0.154 18818 5542 1 10 . 1 1 71 71 LEU N N 71 120.600 120.600 117.608 2.992 18818 5543 1 10 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.279 0.051 18818 5544 1 10 . 1 1 71 71 LEU C C 71 178.300 178.300 177.912 0.388 18818 5545 1 10 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.316 0.984 18818 5546 1 10 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.842 0.458 18818 5547 1 10 . 1 1 71 71 LEU H H 71 7.820 7.820 7.562 0.258 18818 5548 1 10 . 1 1 72 72 GLY N N 72 106.800 106.800 108.784 -1.984 18818 5549 1 10 . 1 1 72 72 GLY C C 72 174.400 174.400 173.839 0.561 18818 5550 1 10 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.949 0.751 18818 5551 1 10 . 1 1 72 72 GLY H H 72 8.240 8.240 8.013 0.227 18818 5552 1 10 . 1 1 73 73 SER N N 73 115.600 115.600 118.117 -2.517 18818 5553 1 10 . 1 1 73 73 SER HA H 73 4.570 4.570 4.720 -0.150 18818 5554 1 10 . 1 1 73 73 SER C C 73 175.000 175.000 173.932 1.068 18818 5555 1 10 . 1 1 73 73 SER CA C 73 58.900 58.900 57.251 1.649 18818 5556 1 10 . 1 1 73 73 SER CB C 73 63.600 63.600 65.475 -1.875 18818 5557 1 10 . 1 1 73 73 SER H H 73 8.220 8.220 8.135 0.085 18818 5558 1 10 . 1 1 74 74 CYS N N 74 119.300 119.300 125.976 -6.676 18818 5559 1 10 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.685 -0.035 18818 5560 1 10 . 1 1 74 74 CYS C C 74 174.500 174.500 174.994 -0.494 18818 5561 1 10 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.021 -0.321 18818 5562 1 10 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.920 -1.220 18818 5563 1 10 . 1 1 74 74 CYS H H 74 8.260 8.260 8.971 -0.711 18818 5564 1 10 . 1 1 75 75 ASN N N 75 120.000 120.000 124.144 -4.144 18818 5565 1 10 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.495 0.345 18818 5566 1 10 . 1 1 75 75 ASN C C 75 174.700 174.700 175.276 -0.576 18818 5567 1 10 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.152 -1.352 18818 5568 1 10 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.638 0.262 18818 5569 1 10 . 1 1 75 75 ASN H H 75 8.430 8.430 9.128 -0.698 18818 5570 1 10 . 1 1 76 76 ASP N N 76 119.200 119.200 117.983 1.217 18818 5571 1 10 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.633 0.037 18818 5572 1 10 . 1 1 76 76 ASP C C 76 175.500 175.500 177.911 -2.411 18818 5573 1 10 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.174 -1.774 18818 5574 1 10 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.757 -0.157 18818 5575 1 10 . 1 1 76 76 ASP H H 76 8.300 8.300 8.638 -0.338 18818 5576 1 10 . 1 1 77 77 SER N N 77 112.800 112.800 115.419 -2.619 18818 5577 1 10 . 1 1 77 77 SER HA H 77 4.260 4.260 4.439 -0.179 18818 5578 1 10 . 1 1 77 77 SER C C 77 173.300 173.300 174.677 -1.377 18818 5579 1 10 . 1 1 77 77 SER CA C 77 59.000 59.000 59.167 -0.167 18818 5580 1 10 . 1 1 77 77 SER CB C 77 63.100 63.100 64.202 -1.102 18818 5581 1 10 . 1 1 77 77 SER H H 77 8.220 8.220 7.878 0.342 18818 5582 1 10 . 1 1 78 78 LYS N N 78 120.600 120.600 117.198 3.402 18818 5583 1 10 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.953 0.607 18818 5584 1 10 . 1 1 78 78 LYS C C 78 175.300 175.300 176.314 -1.014 18818 5585 1 10 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.211 -1.611 18818 5586 1 10 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.761 1.539 18818 5587 1 10 . 1 1 78 78 LYS H H 78 7.930 7.930 8.018 -0.088 18818 5588 1 10 . 1 1 79 79 LEU N N 79 123.700 123.700 120.324 3.376 18818 5589 1 10 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.316 0.464 18818 5590 1 10 . 1 1 79 79 LEU C C 79 176.100 176.100 177.075 -0.975 18818 5591 1 10 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.150 -0.950 18818 5592 1 10 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.250 -1.250 18818 5593 1 10 . 1 1 79 79 LEU H H 79 9.020 9.020 8.398 0.622 18818 5594 1 10 . 1 1 80 80 GLU N N 80 121.200 121.200 116.376 4.824 18818 5595 1 10 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.883 0.017 18818 5596 1 10 . 1 1 80 80 GLU C C 80 177.100 177.100 177.299 -0.199 18818 5597 1 10 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.178 1.022 18818 5598 1 10 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.866 -1.266 18818 5599 1 10 . 1 1 80 80 GLU H H 80 8.630 8.630 7.910 0.720 18818 5600 1 10 . 1 1 81 81 PHE N N 81 123.500 123.500 122.442 1.058 18818 5601 1 10 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.861 -0.331 18818 5602 1 10 . 1 1 81 81 PHE C C 81 177.000 177.000 177.069 -0.069 18818 5603 1 10 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.762 -0.462 18818 5604 1 10 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.304 -0.804 18818 5605 1 10 . 1 1 81 81 PHE H H 81 9.360 9.360 8.911 0.449 18818 5606 1 10 . 1 1 82 82 ARG N N 82 116.500 116.500 118.703 -2.203 18818 5607 1 10 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.062 -0.022 18818 5608 1 10 . 1 1 82 82 ARG C C 82 178.000 178.000 178.338 -0.338 18818 5609 1 10 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.948 0.252 18818 5610 1 10 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.414 -0.214 18818 5611 1 10 . 1 1 82 82 ARG H H 82 8.940 8.940 8.959 -0.019 18818 5612 1 10 . 1 1 83 83 SER N N 83 115.700 115.700 114.801 0.899 18818 5613 1 10 . 1 1 83 83 SER HA H 83 4.510 4.510 4.346 0.164 18818 5614 1 10 . 1 1 83 83 SER C C 83 175.800 175.800 176.246 -0.446 18818 5615 1 10 . 1 1 83 83 SER CA C 83 61.700 61.700 61.341 0.359 18818 5616 1 10 . 1 1 83 83 SER CB C 83 62.700 62.700 62.933 -0.233 18818 5617 1 10 . 1 1 83 83 SER H H 83 7.610 7.610 7.928 -0.318 18818 5618 1 10 . 1 1 84 84 PHE N N 84 122.200 122.200 123.621 -1.421 18818 5619 1 10 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.341 -0.121 18818 5620 1 10 . 1 1 84 84 PHE C C 84 175.000 175.000 176.452 -1.452 18818 5621 1 10 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.054 -1.054 18818 5622 1 10 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.548 -0.348 18818 5623 1 10 . 1 1 84 84 PHE H H 84 7.490 7.490 7.715 -0.225 18818 5624 1 10 . 1 1 85 85 TRP N N 85 120.700 120.700 120.480 0.220 18818 5625 1 10 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.099 -0.339 18818 5626 1 10 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.630 -0.830 18818 5627 1 10 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.546 -0.346 18818 5628 1 10 . 1 1 85 85 TRP H H 85 8.770 8.770 8.105 0.665 18818 5629 1 10 . 1 1 86 86 GLU N N 86 119.100 119.100 117.671 1.429 18818 5630 1 10 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.874 0.206 18818 5631 1 10 . 1 1 86 86 GLU C C 86 179.100 179.100 178.951 0.149 18818 5632 1 10 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.379 -0.079 18818 5633 1 10 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.143 0.357 18818 5634 1 10 . 1 1 86 86 GLU H H 86 8.150 8.150 8.115 0.035 18818 5635 1 10 . 1 1 87 87 LEU N N 87 120.800 120.800 120.347 0.453 18818 5636 1 10 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.027 0.023 18818 5637 1 10 . 1 1 87 87 LEU C C 87 178.900 178.900 178.533 0.367 18818 5638 1 10 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.445 0.455 18818 5639 1 10 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.889 -0.589 18818 5640 1 10 . 1 1 87 87 LEU H H 87 7.600 7.600 7.504 0.096 18818 5641 1 10 . 1 1 88 88 ILE N N 88 115.200 115.200 119.486 -4.286 18818 5642 1 10 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.397 0.183 18818 5643 1 10 . 1 1 88 88 ILE C C 88 177.300 177.300 177.523 -0.223 18818 5644 1 10 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.212 -2.212 18818 5645 1 10 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.828 -1.228 18818 5646 1 10 . 1 1 88 88 ILE H H 88 7.960 7.960 7.318 0.642 18818 5647 1 10 . 1 1 89 89 GLY N N 89 108.100 108.100 107.424 0.676 18818 5648 1 10 . 1 1 89 89 GLY C C 89 175.700 175.700 175.254 0.446 18818 5649 1 10 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.887 -1.487 18818 5650 1 10 . 1 1 89 89 GLY H H 89 7.620 7.620 7.555 0.065 18818 5651 1 10 . 1 1 90 90 GLU N N 90 120.000 120.000 120.925 -0.925 18818 5652 1 10 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.125 -0.165 18818 5653 1 10 . 1 1 90 90 GLU C C 90 179.100 179.100 178.956 0.144 18818 5654 1 10 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.833 0.367 18818 5655 1 10 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.695 -0.895 18818 5656 1 10 . 1 1 90 90 GLU H H 90 7.410 7.410 7.449 -0.039 18818 5657 1 10 . 1 1 91 91 ALA N N 91 122.400 122.400 123.203 -0.803 18818 5658 1 10 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.992 0.028 18818 5659 1 10 . 1 1 91 91 ALA C C 91 178.700 178.700 179.129 -0.429 18818 5660 1 10 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.851 -0.851 18818 5661 1 10 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.128 -0.128 18818 5662 1 10 . 1 1 91 91 ALA H H 91 7.610 7.610 7.939 -0.329 18818 5663 1 10 . 1 1 92 92 ALA N N 92 118.000 118.000 116.914 1.086 18818 5664 1 10 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.438 -0.768 18818 5665 1 10 . 1 1 92 92 ALA C C 92 177.900 177.900 177.652 0.248 18818 5666 1 10 . 1 1 92 92 ALA CA C 92 53.900 53.900 52.793 1.107 18818 5667 1 10 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.332 -0.432 18818 5668 1 10 . 1 1 92 92 ALA H H 92 7.740 7.740 7.719 0.021 18818 5669 1 10 . 1 1 93 93 LYS N N 93 114.600 114.600 117.261 -2.661 18818 5670 1 10 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.137 -0.367 18818 5671 1 10 . 1 1 93 93 LYS C C 93 177.000 177.000 177.034 -0.034 18818 5672 1 10 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.522 -0.022 18818 5673 1 10 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.331 -0.531 18818 5674 1 10 . 1 1 93 93 LYS H H 93 7.200 7.200 7.709 -0.509 18818 5675 1 10 . 1 1 94 94 SER N N 94 113.000 113.000 112.597 0.403 18818 5676 1 10 . 1 1 94 94 SER HA H 94 4.450 4.450 4.490 -0.040 18818 5677 1 10 . 1 1 94 94 SER C C 94 174.500 174.500 174.743 -0.243 18818 5678 1 10 . 1 1 94 94 SER CA C 94 58.800 58.800 60.016 -1.216 18818 5679 1 10 . 1 1 94 94 SER CB C 94 63.900 63.900 65.033 -1.133 18818 5680 1 10 . 1 1 94 94 SER H H 94 7.530 7.530 7.749 -0.219 18818 5681 1 10 . 1 1 95 95 VAL N N 95 122.100 122.100 123.068 -0.968 18818 5682 1 10 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.218 -0.278 18818 5683 1 10 . 1 1 95 95 VAL C C 95 175.400 175.400 173.980 1.420 18818 5684 1 10 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.565 1.635 18818 5685 1 10 . 1 1 95 95 VAL CB C 95 31.500 31.500 31.265 0.235 18818 5686 1 10 . 1 1 95 95 VAL H H 95 7.440 7.440 7.700 -0.260 18818 5687 1 10 . 1 1 96 96 LYS N N 96 126.300 126.300 125.121 1.179 18818 5688 1 10 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.538 -0.138 18818 5689 1 10 . 1 1 96 96 LYS C C 96 176.000 176.000 175.410 0.590 18818 5690 1 10 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.007 0.493 18818 5691 1 10 . 1 1 96 96 LYS CB C 96 32.500 32.500 32.987 -0.487 18818 5692 1 10 . 1 1 96 96 LYS H H 96 8.470 8.470 7.750 0.720 18818 5693 1 10 . 1 1 97 97 LEU N N 97 123.400 123.400 122.957 0.443 18818 5694 1 10 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.248 0.162 18818 5695 1 10 . 1 1 97 97 LEU C C 97 176.700 176.700 177.397 -0.697 18818 5696 1 10 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.021 -0.621 18818 5697 1 10 . 1 1 97 97 LEU CB C 97 42.300 42.300 41.770 0.530 18818 5698 1 10 . 1 1 97 97 LEU H H 97 8.140 8.140 8.450 -0.310 18818 5699 1 10 . 1 1 98 98 GLU N N 98 121.400 121.400 122.363 -0.963 18818 5700 1 10 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.215 0.125 18818 5701 1 10 . 1 1 98 98 GLU C C 98 175.900 175.900 176.161 -0.261 18818 5702 1 10 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.634 -0.434 18818 5703 1 10 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.072 0.028 18818 5704 1 10 . 1 1 98 98 GLU H H 98 8.320 8.320 8.500 -0.180 18818 5705 1 10 . 1 1 99 99 ARG N N 99 122.800 122.800 117.110 5.690 18818 5706 1 10 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.258 0.552 18818 5707 1 10 . 1 1 99 99 ARG C C 99 173.900 173.900 174.334 -0.434 18818 5708 1 10 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.910 -2.310 18818 5709 1 10 . 1 1 99 99 ARG CB C 99 29.900 29.900 27.300 2.600 18818 5710 1 10 . 1 1 99 99 ARG H H 99 8.280 8.280 8.524 -0.244 18818 5711 1 10 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.385 0.135 18818 5712 1 10 . 1 1 100 100 PRO C C 100 176.700 176.700 175.872 0.828 18818 5713 1 10 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.119 -0.319 18818 5714 1 10 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.886 -1.185 18818 5715 1 10 . 1 1 101 101 VAL N N 101 120.500 120.500 122.621 -2.121 18818 5716 1 10 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.255 -0.125 18818 5717 1 10 . 1 1 101 101 VAL C C 101 176.000 176.000 176.428 -0.428 18818 5718 1 10 . 1 1 101 101 VAL CA C 101 62.100 62.100 60.488 1.612 18818 5719 1 10 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.457 -2.257 18818 5720 1 10 . 1 1 101 101 VAL H H 101 8.230 8.230 8.228 0.002 18818 5721 1 10 . 1 1 102 102 ARG N N 102 124.600 124.600 125.560 -0.960 18818 5722 1 10 . 1 1 102 102 ARG HA H 102 4.420 4.420 3.946 0.474 18818 5723 1 10 . 1 1 102 102 ARG C C 102 176.400 176.400 176.389 0.011 18818 5724 1 10 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.702 -0.802 18818 5725 1 10 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.145 0.555 18818 5726 1 10 . 1 1 102 102 ARG H H 102 8.390 8.390 8.637 -0.247 18818 5727 1 10 . 1 1 103 103 GLY N N 103 110.400 110.400 105.375 5.025 18818 5728 1 10 . 1 1 103 103 GLY C C 103 172.900 172.900 174.271 -1.371 18818 5729 1 10 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.758 0.242 18818 5730 1 10 . 1 1 103 103 GLY H H 103 8.400 8.400 7.924 0.476 18818 5731 1 11 . 1 1 5 5 ARG N N 5 124.100 124.100 123.499 0.601 18818 5732 1 11 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.624 -0.574 18818 5733 1 11 . 1 1 5 5 ARG C C 5 173.800 173.800 175.466 -1.666 18818 5734 1 11 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.909 0.091 18818 5735 1 11 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.806 -1.106 18818 5736 1 11 . 1 1 5 5 ARG H H 5 8.570 8.570 8.691 -0.121 18818 5737 1 11 . 1 1 6 6 SER N N 6 117.500 117.500 117.260 0.240 18818 5738 1 11 . 1 1 6 6 SER HA H 6 4.510 4.510 4.656 -0.146 18818 5739 1 11 . 1 1 6 6 SER C C 6 174.100 174.100 174.488 -0.388 18818 5740 1 11 . 1 1 6 6 SER CA C 6 58.000 58.000 58.004 -0.004 18818 5741 1 11 . 1 1 6 6 SER CB C 6 63.700 63.700 64.751 -1.051 18818 5742 1 11 . 1 1 6 6 SER H H 6 8.370 8.370 8.598 -0.228 18818 5743 1 11 . 1 1 7 7 ALA N N 7 125.900 125.900 128.912 -3.012 18818 5744 1 11 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.372 0.028 18818 5745 1 11 . 1 1 7 7 ALA C C 7 177.200 177.200 177.768 -0.568 18818 5746 1 11 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.888 0.712 18818 5747 1 11 . 1 1 7 7 ALA CB C 7 19.000 19.000 17.394 1.606 18818 5748 1 11 . 1 1 7 7 ALA H H 7 8.410 8.410 8.700 -0.290 18818 5749 1 11 . 1 1 8 8 ASN N N 8 117.400 117.400 120.767 -3.367 18818 5750 1 11 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.389 0.381 18818 5751 1 11 . 1 1 8 8 ASN C C 8 174.900 174.900 176.655 -1.755 18818 5752 1 11 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.183 -3.283 18818 5753 1 11 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.838 -0.038 18818 5754 1 11 . 1 1 8 8 ASN H H 8 8.360 8.360 8.245 0.115 18818 5755 1 11 . 1 1 9 9 ALA N N 9 124.400 124.400 121.483 2.917 18818 5756 1 11 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.103 0.247 18818 5757 1 11 . 1 1 9 9 ALA C C 9 177.800 177.800 179.268 -1.468 18818 5758 1 11 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.647 -1.947 18818 5759 1 11 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.440 0.460 18818 5760 1 11 . 1 1 9 9 ALA H H 9 8.270 8.270 8.722 -0.452 18818 5761 1 11 . 1 1 10 10 GLU N N 10 119.300 119.300 115.615 3.685 18818 5762 1 11 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.205 0.105 18818 5763 1 11 . 1 1 10 10 GLU C C 10 176.400 176.400 177.290 -0.890 18818 5764 1 11 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.652 -0.752 18818 5765 1 11 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.492 0.108 18818 5766 1 11 . 1 1 10 10 GLU H H 10 8.470 8.470 7.977 0.493 18818 5767 1 11 . 1 1 11 11 ASP N N 11 120.600 120.600 118.242 2.358 18818 5768 1 11 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.733 -0.123 18818 5769 1 11 . 1 1 11 11 ASP C C 11 176.100 176.100 175.370 0.730 18818 5770 1 11 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.898 0.402 18818 5771 1 11 . 1 1 11 11 ASP CB C 11 40.800 40.800 43.180 -2.380 18818 5772 1 11 . 1 1 11 11 ASP H H 11 8.200 8.200 7.796 0.404 18818 5773 1 11 . 1 1 12 12 ALA N N 12 123.800 123.800 122.082 1.718 18818 5774 1 11 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.086 0.004 18818 5775 1 11 . 1 1 12 12 ALA C C 12 177.800 177.800 177.428 0.372 18818 5776 1 11 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.013 -0.513 18818 5777 1 11 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.658 0.142 18818 5778 1 11 . 1 1 12 12 ALA H H 12 8.070 8.070 8.220 -0.150 18818 5779 1 11 . 1 1 13 13 GLN N N 13 118.500 118.500 121.604 -3.104 18818 5780 1 11 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.094 0.176 18818 5781 1 11 . 1 1 13 13 GLN C C 13 175.700 175.700 176.719 -1.019 18818 5782 1 11 . 1 1 13 13 GLN CA C 13 55.900 55.900 57.954 -2.054 18818 5783 1 11 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.462 -0.362 18818 5784 1 11 . 1 1 13 13 GLN H H 13 8.230 8.230 8.908 -0.678 18818 5785 1 11 . 1 1 14 14 GLU N N 14 120.600 120.600 113.608 6.992 18818 5786 1 11 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.167 0.133 18818 5787 1 11 . 1 1 14 14 GLU C C 14 175.800 175.800 174.630 1.170 18818 5788 1 11 . 1 1 14 14 GLU CA C 14 55.800 55.800 55.776 0.024 18818 5789 1 11 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.093 -0.193 18818 5790 1 11 . 1 1 14 14 GLU H H 14 8.100 8.100 7.704 0.396 18818 5791 1 11 . 1 1 15 15 PHE N N 15 121.100 121.100 119.654 1.446 18818 5792 1 11 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.947 -0.067 18818 5793 1 11 . 1 1 15 15 PHE C C 15 176.900 176.900 176.527 0.373 18818 5794 1 11 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.624 -1.324 18818 5795 1 11 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.049 -0.749 18818 5796 1 11 . 1 1 15 15 PHE H H 15 8.030 8.030 7.275 0.755 18818 5797 1 11 . 1 1 16 16 SER N N 16 119.400 119.400 116.978 2.422 18818 5798 1 11 . 1 1 16 16 SER HA H 16 4.850 4.850 4.500 0.350 18818 5799 1 11 . 1 1 16 16 SER C C 16 174.800 174.800 175.629 -0.829 18818 5800 1 11 . 1 1 16 16 SER CA C 16 57.000 57.000 57.678 -0.678 18818 5801 1 11 . 1 1 16 16 SER CB C 16 65.600 65.600 65.038 0.562 18818 5802 1 11 . 1 1 16 16 SER H H 16 9.530 9.530 8.721 0.809 18818 5803 1 11 . 1 1 17 17 ASP N N 17 121.300 121.300 123.371 -2.071 18818 5804 1 11 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.430 0.120 18818 5805 1 11 . 1 1 17 17 ASP C C 17 179.700 179.700 178.044 1.656 18818 5806 1 11 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.897 0.103 18818 5807 1 11 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.561 -1.061 18818 5808 1 11 . 1 1 17 17 ASP H H 17 9.270 9.270 9.056 0.214 18818 5809 1 11 . 1 1 18 18 VAL N N 18 120.600 120.600 118.332 2.268 18818 5810 1 11 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.916 -0.236 18818 5811 1 11 . 1 1 18 18 VAL C C 18 176.900 176.900 176.787 0.113 18818 5812 1 11 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.036 1.464 18818 5813 1 11 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.353 -0.453 18818 5814 1 11 . 1 1 18 18 VAL H H 18 8.230 8.230 7.967 0.263 18818 5815 1 11 . 1 1 19 19 GLU N N 19 121.000 121.000 119.985 1.015 18818 5816 1 11 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.072 -0.332 18818 5817 1 11 . 1 1 19 19 GLU C C 19 178.600 178.600 178.705 -0.105 18818 5818 1 11 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.466 0.534 18818 5819 1 11 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.746 -1.046 18818 5820 1 11 . 1 1 19 19 GLU H H 19 8.180 8.180 7.810 0.370 18818 5821 1 11 . 1 1 20 20 ARG N N 20 118.100 118.100 118.104 -0.004 18818 5822 1 11 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.094 0.206 18818 5823 1 11 . 1 1 20 20 ARG C C 20 178.700 178.700 178.446 0.254 18818 5824 1 11 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.774 0.326 18818 5825 1 11 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.364 0.336 18818 5826 1 11 . 1 1 20 20 ARG H H 20 8.920 8.920 8.686 0.234 18818 5827 1 11 . 1 1 21 21 ALA N N 21 123.800 123.800 122.614 1.186 18818 5828 1 11 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.198 0.222 18818 5829 1 11 . 1 1 21 21 ALA C C 21 179.300 179.300 179.317 -0.017 18818 5830 1 11 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.697 0.503 18818 5831 1 11 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.214 -0.314 18818 5832 1 11 . 1 1 21 21 ALA H H 21 8.060 8.060 7.564 0.496 18818 5833 1 11 . 1 1 22 22 ILE N N 22 118.200 118.200 118.486 -0.286 18818 5834 1 11 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.694 0.026 18818 5835 1 11 . 1 1 22 22 ILE C C 22 177.500 177.500 178.185 -0.685 18818 5836 1 11 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.609 0.391 18818 5837 1 11 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.734 -0.334 18818 5838 1 11 . 1 1 22 22 ILE H H 22 8.010 8.010 7.543 0.467 18818 5839 1 11 . 1 1 23 23 GLU N N 23 120.100 120.100 119.459 0.641 18818 5840 1 11 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.970 -0.010 18818 5841 1 11 . 1 1 23 23 GLU C C 23 178.000 178.000 179.010 -1.010 18818 5842 1 11 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.852 0.448 18818 5843 1 11 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.362 0.138 18818 5844 1 11 . 1 1 23 23 GLU H H 23 8.450 8.450 7.922 0.528 18818 5845 1 11 . 1 1 24 24 THR N N 24 117.300 117.300 116.640 0.660 18818 5846 1 11 . 1 1 24 24 THR HA H 24 4.010 4.010 4.106 -0.096 18818 5847 1 11 . 1 1 24 24 THR C C 24 177.000 177.000 176.979 0.021 18818 5848 1 11 . 1 1 24 24 THR CA C 24 67.100 67.100 66.763 0.337 18818 5849 1 11 . 1 1 24 24 THR CB C 24 68.200 68.200 68.889 -0.689 18818 5850 1 11 . 1 1 24 24 THR H H 24 8.720 8.720 8.135 0.585 18818 5851 1 11 . 1 1 25 25 LEU N N 25 123.400 123.400 119.313 4.087 18818 5852 1 11 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.472 -0.192 18818 5853 1 11 . 1 1 25 25 LEU C C 25 178.200 178.200 178.387 -0.187 18818 5854 1 11 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.853 1.447 18818 5855 1 11 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.798 -0.098 18818 5856 1 11 . 1 1 25 25 LEU H H 25 8.150 8.150 7.644 0.506 18818 5857 1 11 . 1 1 26 26 ILE N N 26 119.500 119.500 121.198 -1.698 18818 5858 1 11 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.886 0.114 18818 5859 1 11 . 1 1 26 26 ILE C C 26 177.900 177.900 179.100 -1.200 18818 5860 1 11 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.594 0.505 18818 5861 1 11 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.696 0.604 18818 5862 1 11 . 1 1 26 26 ILE H H 26 8.510 8.510 8.265 0.245 18818 5863 1 11 . 1 1 27 27 LYS N N 27 120.500 120.500 119.801 0.699 18818 5864 1 11 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.226 -0.076 18818 5865 1 11 . 1 1 27 27 LYS C C 27 179.600 179.600 178.664 0.936 18818 5866 1 11 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.081 1.019 18818 5867 1 11 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.570 0.430 18818 5868 1 11 . 1 1 27 27 LYS H H 27 9.000 9.000 8.595 0.405 18818 5869 1 11 . 1 1 28 28 ASN N N 28 117.300 117.300 115.708 1.592 18818 5870 1 11 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.644 -0.084 18818 5871 1 11 . 1 1 28 28 ASN C C 28 176.000 176.000 176.558 -0.558 18818 5872 1 11 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.690 2.010 18818 5873 1 11 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.165 2.135 18818 5874 1 11 . 1 1 28 28 ASN H H 28 7.990 7.990 7.690 0.300 18818 5875 1 11 . 1 1 29 29 PHE N N 29 119.100 119.100 121.314 -2.214 18818 5876 1 11 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.676 0.234 18818 5877 1 11 . 1 1 29 29 PHE C C 29 176.200 176.200 177.318 -1.118 18818 5878 1 11 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.085 0.115 18818 5879 1 11 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.886 -0.286 18818 5880 1 11 . 1 1 29 29 PHE H H 29 7.990 7.990 7.733 0.257 18818 5881 1 11 . 1 1 30 30 HIS N N 30 114.700 114.700 116.563 -1.863 18818 5882 1 11 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.110 0.210 18818 5883 1 11 . 1 1 30 30 HIS C C 30 177.400 177.400 176.792 0.608 18818 5884 1 11 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.263 -0.763 18818 5885 1 11 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.632 -0.032 18818 5886 1 11 . 1 1 30 30 HIS H H 30 8.180 8.180 7.689 0.491 18818 5887 1 11 . 1 1 31 31 GLN N N 31 118.500 118.500 115.547 2.953 18818 5888 1 11 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.059 0.021 18818 5889 1 11 . 1 1 31 31 GLN C C 31 176.600 176.600 177.435 -0.835 18818 5890 1 11 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.379 -0.579 18818 5891 1 11 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.146 -0.746 18818 5892 1 11 . 1 1 31 31 GLN H H 31 8.280 8.280 8.216 0.064 18818 5893 1 11 . 1 1 32 32 TYR N N 32 115.700 115.700 116.615 -0.915 18818 5894 1 11 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.460 -0.250 18818 5895 1 11 . 1 1 32 32 TYR C C 32 174.800 174.800 176.564 -1.764 18818 5896 1 11 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.307 1.393 18818 5897 1 11 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.516 -1.816 18818 5898 1 11 . 1 1 32 32 TYR H H 32 7.410 7.410 8.051 -0.641 18818 5899 1 11 . 1 1 33 33 SER N N 33 114.000 114.000 118.644 -4.644 18818 5900 1 11 . 1 1 33 33 SER HA H 33 4.530 4.530 4.292 0.238 18818 5901 1 11 . 1 1 33 33 SER C C 33 175.000 175.000 174.526 0.474 18818 5902 1 11 . 1 1 33 33 SER CA C 33 57.200 57.200 59.497 -2.297 18818 5903 1 11 . 1 1 33 33 SER CB C 33 63.200 63.200 61.620 1.581 18818 5904 1 11 . 1 1 33 33 SER H H 33 7.260 7.260 7.812 -0.552 18818 5905 1 11 . 1 1 34 34 VAL N N 34 126.600 126.600 119.074 7.526 18818 5906 1 11 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.059 -0.049 18818 5907 1 11 . 1 1 34 34 VAL C C 34 177.800 177.800 176.437 1.363 18818 5908 1 11 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.161 0.239 18818 5909 1 11 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.884 0.216 18818 5910 1 11 . 1 1 34 34 VAL H H 34 8.490 8.490 8.165 0.325 18818 5911 1 11 . 1 1 35 35 GLU N N 35 122.100 122.100 120.616 1.484 18818 5912 1 11 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.328 -0.078 18818 5913 1 11 . 1 1 35 35 GLU C C 35 177.800 177.800 178.131 -0.331 18818 5914 1 11 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.432 0.068 18818 5915 1 11 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.476 -0.676 18818 5916 1 11 . 1 1 35 35 GLU H H 35 8.980 8.980 9.095 -0.115 18818 5917 1 11 . 1 1 36 36 GLY N N 36 108.500 108.500 106.882 1.618 18818 5918 1 11 . 1 1 36 36 GLY C C 36 175.000 175.000 174.235 0.765 18818 5919 1 11 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.005 0.295 18818 5920 1 11 . 1 1 36 36 GLY H H 36 8.490 8.490 8.267 0.223 18818 5921 1 11 . 1 1 37 37 GLY N N 37 108.700 108.700 107.594 1.106 18818 5922 1 11 . 1 1 37 37 GLY C C 37 174.100 174.100 173.616 0.484 18818 5923 1 11 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.498 1.302 18818 5924 1 11 . 1 1 37 37 GLY H H 37 8.140 8.140 7.382 0.758 18818 5925 1 11 . 1 1 38 38 LYS N N 38 118.000 118.000 122.163 -4.163 18818 5926 1 11 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.086 0.384 18818 5927 1 11 . 1 1 38 38 LYS C C 38 176.000 176.000 176.425 -0.425 18818 5928 1 11 . 1 1 38 38 LYS CA C 38 56.100 56.100 56.947 -0.847 18818 5929 1 11 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.143 1.557 18818 5930 1 11 . 1 1 38 38 LYS H H 38 8.050 8.050 8.752 -0.702 18818 5931 1 11 . 1 1 39 39 GLU N N 39 118.100 118.100 115.804 2.296 18818 5932 1 11 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.844 -0.284 18818 5933 1 11 . 1 1 39 39 GLU C C 39 175.600 175.600 175.761 -0.161 18818 5934 1 11 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.215 0.584 18818 5935 1 11 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.382 -1.182 18818 5936 1 11 . 1 1 39 39 GLU H H 39 8.630 8.630 8.409 0.221 18818 5937 1 11 . 1 1 40 40 THR N N 40 108.100 108.100 112.633 -4.533 18818 5938 1 11 . 1 1 40 40 THR HA H 40 5.160 5.160 4.942 0.218 18818 5939 1 11 . 1 1 40 40 THR C C 40 173.400 173.400 172.105 1.295 18818 5940 1 11 . 1 1 40 40 THR CA C 40 59.300 59.300 60.181 -0.881 18818 5941 1 11 . 1 1 40 40 THR CB C 40 72.100 72.100 72.286 -0.186 18818 5942 1 11 . 1 1 40 40 THR H H 40 7.490 7.490 8.411 -0.921 18818 5943 1 11 . 1 1 41 41 LEU N N 41 120.700 120.700 121.457 -0.757 18818 5944 1 11 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.597 0.443 18818 5945 1 11 . 1 1 41 41 LEU C C 41 177.000 177.000 175.371 1.629 18818 5946 1 11 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.330 -1.030 18818 5947 1 11 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.408 -1.108 18818 5948 1 11 . 1 1 41 41 LEU H H 41 8.660 8.660 8.413 0.247 18818 5949 1 11 . 1 1 42 42 THR N N 42 113.500 113.500 116.041 -2.541 18818 5950 1 11 . 1 1 42 42 THR HA H 42 5.000 5.000 4.892 0.108 18818 5951 1 11 . 1 1 42 42 THR C C 42 174.100 174.100 173.605 0.495 18818 5952 1 11 . 1 1 42 42 THR CA C 42 59.800 59.800 59.419 0.381 18818 5953 1 11 . 1 1 42 42 THR CB C 42 68.100 68.100 69.425 -1.325 18818 5954 1 11 . 1 1 42 42 THR H H 42 9.130 9.130 9.088 0.042 18818 5955 1 11 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.329 -0.179 18818 5956 1 11 . 1 1 43 43 PRO C C 43 178.600 178.600 178.714 -0.114 18818 5957 1 11 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.701 0.499 18818 5958 1 11 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.635 0.065 18818 5959 1 11 . 1 1 44 44 SER N N 44 111.600 111.600 113.276 -1.676 18818 5960 1 11 . 1 1 44 44 SER HA H 44 4.170 4.170 4.236 -0.066 18818 5961 1 11 . 1 1 44 44 SER C C 44 176.200 176.200 176.064 0.136 18818 5962 1 11 . 1 1 44 44 SER CA C 44 61.500 61.500 61.993 -0.493 18818 5963 1 11 . 1 1 44 44 SER CB C 44 62.200 62.200 63.052 -0.852 18818 5964 1 11 . 1 1 44 44 SER H H 44 8.090 8.090 8.684 -0.594 18818 5965 1 11 . 1 1 45 45 GLU N N 45 123.900 123.900 121.767 2.133 18818 5966 1 11 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.277 -0.017 18818 5967 1 11 . 1 1 45 45 GLU C C 45 179.000 179.000 178.447 0.553 18818 5968 1 11 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.244 0.856 18818 5969 1 11 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.489 0.211 18818 5970 1 11 . 1 1 45 45 GLU H H 45 7.700 7.700 7.643 0.057 18818 5971 1 11 . 1 1 46 46 LEU N N 46 118.900 118.900 122.621 -3.721 18818 5972 1 11 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.970 0.110 18818 5973 1 11 . 1 1 46 46 LEU C C 46 177.600 177.600 178.774 -1.174 18818 5974 1 11 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.532 -1.232 18818 5975 1 11 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.939 -1.039 18818 5976 1 11 . 1 1 46 46 LEU H H 46 8.400 8.400 8.733 -0.333 18818 5977 1 11 . 1 1 47 47 ARG N N 47 119.300 119.300 117.845 1.455 18818 5978 1 11 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.897 -0.127 18818 5979 1 11 . 1 1 47 47 ARG C C 47 178.900 178.900 178.401 0.499 18818 5980 1 11 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.899 0.101 18818 5981 1 11 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.887 -0.887 18818 5982 1 11 . 1 1 47 47 ARG H H 47 8.260 8.260 7.638 0.622 18818 5983 1 11 . 1 1 48 48 ASP N N 48 122.300 122.300 120.045 2.255 18818 5984 1 11 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.481 -0.051 18818 5985 1 11 . 1 1 48 48 ASP C C 48 176.700 176.700 178.646 -1.946 18818 5986 1 11 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.593 -0.093 18818 5987 1 11 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.052 -1.652 18818 5988 1 11 . 1 1 48 48 ASP H H 48 8.160 8.160 7.924 0.236 18818 5989 1 11 . 1 1 49 49 LEU N N 49 122.600 122.600 118.788 3.812 18818 5990 1 11 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.760 -0.590 18818 5991 1 11 . 1 1 49 49 LEU C C 49 179.100 179.100 178.462 0.638 18818 5992 1 11 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.638 1.362 18818 5993 1 11 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.331 -0.031 18818 5994 1 11 . 1 1 49 49 LEU H H 49 7.980 7.980 8.133 -0.153 18818 5995 1 11 . 1 1 50 50 VAL N N 50 118.200 118.200 121.117 -2.917 18818 5996 1 11 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.638 -0.088 18818 5997 1 11 . 1 1 50 50 VAL C C 50 178.800 178.800 178.249 0.551 18818 5998 1 11 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.145 -0.745 18818 5999 1 11 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.289 0.211 18818 6000 1 11 . 1 1 50 50 VAL H H 50 8.390 8.390 7.859 0.531 18818 6001 1 11 . 1 1 51 51 THR N N 51 115.000 115.000 114.219 0.781 18818 6002 1 11 . 1 1 51 51 THR HA H 51 3.990 3.990 4.120 -0.130 18818 6003 1 11 . 1 1 51 51 THR C C 51 176.000 176.000 175.990 0.010 18818 6004 1 11 . 1 1 51 51 THR CA C 51 65.800 65.800 65.352 0.448 18818 6005 1 11 . 1 1 51 51 THR CB C 51 68.900 68.900 68.595 0.305 18818 6006 1 11 . 1 1 51 51 THR H H 51 8.480 8.480 8.252 0.228 18818 6007 1 11 . 1 1 52 52 GLN N N 52 116.400 116.400 117.335 -0.935 18818 6008 1 11 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.483 -0.233 18818 6009 1 11 . 1 1 52 52 GLN C C 52 178.300 178.300 177.129 1.171 18818 6010 1 11 . 1 1 52 52 GLN CA C 52 57.800 57.800 56.647 1.153 18818 6011 1 11 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.445 -0.945 18818 6012 1 11 . 1 1 52 52 GLN H H 52 8.180 8.180 7.715 0.465 18818 6013 1 11 . 1 1 53 53 GLN N N 53 112.100 112.100 116.070 -3.970 18818 6014 1 11 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.528 0.322 18818 6015 1 11 . 1 1 53 53 GLN C C 53 176.900 176.900 176.536 0.364 18818 6016 1 11 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.723 -0.723 18818 6017 1 11 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.461 -3.061 18818 6018 1 11 . 1 1 53 53 GLN H H 53 8.490 8.490 7.843 0.647 18818 6019 1 11 . 1 1 54 54 LEU N N 54 119.800 119.800 121.983 -2.183 18818 6020 1 11 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.874 0.376 18818 6021 1 11 . 1 1 54 54 LEU C C 54 176.900 176.900 175.010 1.890 18818 6022 1 11 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.269 1.631 18818 6023 1 11 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.151 -0.051 18818 6024 1 11 . 1 1 54 54 LEU H H 54 7.920 7.920 7.991 -0.071 18818 6025 1 11 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.256 0.214 18818 6026 1 11 . 1 1 55 55 PRO C C 55 178.300 178.300 177.538 0.762 18818 6027 1 11 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.812 0.488 18818 6028 1 11 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.828 -1.128 18818 6029 1 11 . 1 1 56 56 HIS N N 56 116.500 116.500 116.339 0.161 18818 6030 1 11 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.504 0.086 18818 6031 1 11 . 1 1 56 56 HIS C C 56 176.300 176.300 176.436 -0.136 18818 6032 1 11 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.947 -0.147 18818 6033 1 11 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.265 -0.965 18818 6034 1 11 . 1 1 56 56 HIS H H 56 9.770 9.770 8.255 1.515 18818 6035 1 11 . 1 1 57 57 LEU N N 57 116.600 116.600 118.999 -2.399 18818 6036 1 11 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.267 0.063 18818 6037 1 11 . 1 1 57 57 LEU C C 57 176.400 176.400 176.789 -0.389 18818 6038 1 11 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.877 -0.476 18818 6039 1 11 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.418 0.082 18818 6040 1 11 . 1 1 57 57 LEU H H 57 7.830 7.830 8.044 -0.214 18818 6041 1 11 . 1 1 58 58 MET N N 58 118.000 118.000 118.748 -0.748 18818 6042 1 11 . 1 1 58 58 MET HA H 58 4.540 4.540 4.745 -0.205 18818 6043 1 11 . 1 1 58 58 MET C C 58 171.600 171.600 173.771 -2.171 18818 6044 1 11 . 1 1 58 58 MET CA C 58 53.500 53.500 53.222 0.278 18818 6045 1 11 . 1 1 58 58 MET CB C 58 32.700 32.700 33.840 -1.140 18818 6046 1 11 . 1 1 58 58 MET H H 58 7.970 7.970 7.439 0.531 18818 6047 1 11 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.613 -0.163 18818 6048 1 11 . 1 1 59 59 PRO C C 59 177.400 177.400 176.285 1.115 18818 6049 1 11 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.067 1.033 18818 6050 1 11 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.900 -1.000 18818 6051 1 11 . 1 1 60 60 SER N N 60 114.900 114.900 115.918 -1.018 18818 6052 1 11 . 1 1 60 60 SER HA H 60 4.340 4.340 4.427 -0.087 18818 6053 1 11 . 1 1 60 60 SER C C 60 174.700 174.700 175.905 -1.205 18818 6054 1 11 . 1 1 60 60 SER CA C 60 59.100 59.100 58.524 0.576 18818 6055 1 11 . 1 1 60 60 SER CB C 60 63.200 63.200 64.427 -1.227 18818 6056 1 11 . 1 1 60 60 SER H H 60 8.360 8.360 8.495 -0.135 18818 6057 1 11 . 1 1 61 61 ASN N N 61 120.800 120.800 117.309 3.491 18818 6058 1 11 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.413 0.397 18818 6059 1 11 . 1 1 61 61 ASN C C 61 175.500 175.500 174.118 1.382 18818 6060 1 11 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.568 -2.567 18818 6061 1 11 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.794 0.106 18818 6062 1 11 . 1 1 61 61 ASN H H 61 7.990 7.990 9.033 -1.043 18818 6063 1 11 . 1 1 62 62 CYS N N 62 117.800 117.800 114.256 3.544 18818 6064 1 11 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.536 0.054 18818 6065 1 11 . 1 1 62 62 CYS C C 62 175.300 175.300 175.772 -0.472 18818 6066 1 11 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.003 -0.803 18818 6067 1 11 . 1 1 62 62 CYS CB C 62 27.400 27.400 29.582 -2.182 18818 6068 1 11 . 1 1 62 62 CYS H H 62 8.260 8.260 7.222 1.038 18818 6069 1 11 . 1 1 63 63 GLY N N 63 111.300 111.300 109.376 1.924 18818 6070 1 11 . 1 1 63 63 GLY C C 63 175.600 175.600 176.244 -0.644 18818 6071 1 11 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.405 -1.105 18818 6072 1 11 . 1 1 63 63 GLY H H 63 8.520 8.520 7.768 0.752 18818 6073 1 11 . 1 1 64 64 LEU N N 64 122.400 122.400 119.417 2.983 18818 6074 1 11 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.246 -0.196 18818 6075 1 11 . 1 1 64 64 LEU C C 64 177.900 177.900 178.172 -0.272 18818 6076 1 11 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.035 0.565 18818 6077 1 11 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.089 0.911 18818 6078 1 11 . 1 1 64 64 LEU H H 64 7.910 7.910 7.916 -0.006 18818 6079 1 11 . 1 1 65 65 GLU N N 65 117.900 117.900 117.336 0.564 18818 6080 1 11 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.014 -0.104 18818 6081 1 11 . 1 1 65 65 GLU C C 65 179.100 179.100 177.391 1.709 18818 6082 1 11 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.043 1.957 18818 6083 1 11 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.885 -0.485 18818 6084 1 11 . 1 1 65 65 GLU H H 65 8.660 8.660 8.602 0.058 18818 6085 1 11 . 1 1 66 66 GLU N N 66 120.000 120.000 119.890 0.110 18818 6086 1 11 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.091 0.029 18818 6087 1 11 . 1 1 66 66 GLU C C 66 178.200 178.200 178.325 -0.125 18818 6088 1 11 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.942 0.158 18818 6089 1 11 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.181 -0.081 18818 6090 1 11 . 1 1 66 66 GLU H H 66 8.220 8.220 7.746 0.474 18818 6091 1 11 . 1 1 67 67 LYS N N 67 119.300 119.300 119.010 0.290 18818 6092 1 11 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.087 0.053 18818 6093 1 11 . 1 1 67 67 LYS C C 67 179.400 179.400 178.983 0.417 18818 6094 1 11 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.577 0.324 18818 6095 1 11 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.737 0.363 18818 6096 1 11 . 1 1 67 67 LYS H H 67 7.780 7.780 7.538 0.242 18818 6097 1 11 . 1 1 68 68 ILE N N 68 118.400 118.400 118.732 -0.332 18818 6098 1 11 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.755 -0.035 18818 6099 1 11 . 1 1 68 68 ILE C C 68 177.800 177.800 177.601 0.199 18818 6100 1 11 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.434 0.066 18818 6101 1 11 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.675 -0.375 18818 6102 1 11 . 1 1 68 68 ILE H H 68 8.230 8.230 7.265 0.965 18818 6103 1 11 . 1 1 69 69 ALA N N 69 122.900 122.900 120.724 2.176 18818 6104 1 11 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.103 0.117 18818 6105 1 11 . 1 1 69 69 ALA C C 69 179.600 179.600 178.717 0.883 18818 6106 1 11 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.514 -0.114 18818 6107 1 11 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.333 -0.433 18818 6108 1 11 . 1 1 69 69 ALA H H 69 8.070 8.070 7.867 0.203 18818 6109 1 11 . 1 1 70 70 ASN N N 70 115.400 115.400 115.989 -0.589 18818 6110 1 11 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.682 0.188 18818 6111 1 11 . 1 1 70 70 ASN C C 70 176.500 176.500 177.333 -0.833 18818 6112 1 11 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.856 -0.556 18818 6113 1 11 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.584 -0.884 18818 6114 1 11 . 1 1 70 70 ASN H H 70 7.880 7.880 7.907 -0.027 18818 6115 1 11 . 1 1 71 71 LEU N N 71 120.600 120.600 117.822 2.778 18818 6116 1 11 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.152 0.178 18818 6117 1 11 . 1 1 71 71 LEU C C 71 178.300 178.300 177.763 0.537 18818 6118 1 11 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.278 1.022 18818 6119 1 11 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.349 0.951 18818 6120 1 11 . 1 1 71 71 LEU H H 71 7.820 7.820 7.481 0.339 18818 6121 1 11 . 1 1 72 72 GLY N N 72 106.800 106.800 108.431 -1.631 18818 6122 1 11 . 1 1 72 72 GLY C C 72 174.400 174.400 173.862 0.538 18818 6123 1 11 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.876 0.824 18818 6124 1 11 . 1 1 72 72 GLY H H 72 8.240 8.240 7.983 0.257 18818 6125 1 11 . 1 1 73 73 SER N N 73 115.600 115.600 116.930 -1.330 18818 6126 1 11 . 1 1 73 73 SER HA H 73 4.570 4.570 4.780 -0.210 18818 6127 1 11 . 1 1 73 73 SER C C 73 175.000 175.000 174.164 0.836 18818 6128 1 11 . 1 1 73 73 SER CA C 73 58.900 58.900 57.574 1.326 18818 6129 1 11 . 1 1 73 73 SER CB C 73 63.600 63.600 64.240 -0.640 18818 6130 1 11 . 1 1 73 73 SER H H 73 8.220 8.220 8.272 -0.052 18818 6131 1 11 . 1 1 74 74 CYS N N 74 119.300 119.300 122.862 -3.562 18818 6132 1 11 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.721 -0.071 18818 6133 1 11 . 1 1 74 74 CYS C C 74 174.500 174.500 174.150 0.350 18818 6134 1 11 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.191 1.509 18818 6135 1 11 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.564 -1.864 18818 6136 1 11 . 1 1 74 74 CYS H H 74 8.260 8.260 8.452 -0.192 18818 6137 1 11 . 1 1 75 75 ASN N N 75 120.000 120.000 119.757 0.243 18818 6138 1 11 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.736 0.104 18818 6139 1 11 . 1 1 75 75 ASN C C 75 174.700 174.700 176.361 -1.661 18818 6140 1 11 . 1 1 75 75 ASN CA C 75 53.800 53.800 52.481 1.319 18818 6141 1 11 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.850 -0.950 18818 6142 1 11 . 1 1 75 75 ASN H H 75 8.430 8.430 8.660 -0.230 18818 6143 1 11 . 1 1 76 76 ASP N N 76 119.200 119.200 119.403 -0.203 18818 6144 1 11 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.413 0.257 18818 6145 1 11 . 1 1 76 76 ASP C C 76 175.500 175.500 177.220 -1.720 18818 6146 1 11 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.595 -2.195 18818 6147 1 11 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.964 -0.364 18818 6148 1 11 . 1 1 76 76 ASP H H 76 8.300 8.300 8.818 -0.518 18818 6149 1 11 . 1 1 77 77 SER N N 77 112.800 112.800 113.342 -0.542 18818 6150 1 11 . 1 1 77 77 SER HA H 77 4.260 4.260 4.375 -0.115 18818 6151 1 11 . 1 1 77 77 SER C C 77 173.300 173.300 174.046 -0.746 18818 6152 1 11 . 1 1 77 77 SER CA C 77 59.000 59.000 58.997 0.003 18818 6153 1 11 . 1 1 77 77 SER CB C 77 63.100 63.100 62.697 0.403 18818 6154 1 11 . 1 1 77 77 SER H H 77 8.220 8.220 8.201 0.019 18818 6155 1 11 . 1 1 78 78 LYS N N 78 120.600 120.600 115.818 4.782 18818 6156 1 11 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.961 0.599 18818 6157 1 11 . 1 1 78 78 LYS C C 78 175.300 175.300 176.481 -1.181 18818 6158 1 11 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.511 -1.911 18818 6159 1 11 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.544 1.756 18818 6160 1 11 . 1 1 78 78 LYS H H 78 7.930 7.930 7.719 0.211 18818 6161 1 11 . 1 1 79 79 LEU N N 79 123.700 123.700 121.282 2.418 18818 6162 1 11 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.322 0.458 18818 6163 1 11 . 1 1 79 79 LEU C C 79 176.100 176.100 177.258 -1.158 18818 6164 1 11 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.765 -1.565 18818 6165 1 11 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.657 -0.657 18818 6166 1 11 . 1 1 79 79 LEU H H 79 9.020 9.020 8.357 0.663 18818 6167 1 11 . 1 1 80 80 GLU N N 80 121.200 121.200 117.515 3.685 18818 6168 1 11 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.923 -0.023 18818 6169 1 11 . 1 1 80 80 GLU C C 80 177.100 177.100 176.970 0.130 18818 6170 1 11 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.495 0.705 18818 6171 1 11 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.959 -1.359 18818 6172 1 11 . 1 1 80 80 GLU H H 80 8.630 8.630 7.851 0.779 18818 6173 1 11 . 1 1 81 81 PHE N N 81 123.500 123.500 123.028 0.472 18818 6174 1 11 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.471 0.059 18818 6175 1 11 . 1 1 81 81 PHE C C 81 177.000 177.000 176.621 0.379 18818 6176 1 11 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.596 -0.296 18818 6177 1 11 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.350 -0.850 18818 6178 1 11 . 1 1 81 81 PHE H H 81 9.360 9.360 8.431 0.929 18818 6179 1 11 . 1 1 82 82 ARG N N 82 116.500 116.500 118.664 -2.164 18818 6180 1 11 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.084 -0.044 18818 6181 1 11 . 1 1 82 82 ARG C C 82 178.000 178.000 178.180 -0.180 18818 6182 1 11 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.841 0.359 18818 6183 1 11 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.451 -0.251 18818 6184 1 11 . 1 1 82 82 ARG H H 82 8.940 8.940 8.837 0.103 18818 6185 1 11 . 1 1 83 83 SER N N 83 115.700 115.700 115.232 0.468 18818 6186 1 11 . 1 1 83 83 SER HA H 83 4.510 4.510 4.320 0.190 18818 6187 1 11 . 1 1 83 83 SER C C 83 175.800 175.800 176.678 -0.878 18818 6188 1 11 . 1 1 83 83 SER CA C 83 61.700 61.700 61.185 0.515 18818 6189 1 11 . 1 1 83 83 SER CB C 83 62.700 62.700 62.855 -0.155 18818 6190 1 11 . 1 1 83 83 SER H H 83 7.610 7.610 7.778 -0.168 18818 6191 1 11 . 1 1 84 84 PHE N N 84 122.200 122.200 123.802 -1.602 18818 6192 1 11 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.218 0.002 18818 6193 1 11 . 1 1 84 84 PHE C C 84 175.000 175.000 176.299 -1.299 18818 6194 1 11 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.258 -1.258 18818 6195 1 11 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.275 -0.075 18818 6196 1 11 . 1 1 84 84 PHE H H 84 7.490 7.490 7.600 -0.110 18818 6197 1 11 . 1 1 85 85 TRP N N 85 120.700 120.700 120.148 0.552 18818 6198 1 11 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.096 -0.336 18818 6199 1 11 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.639 -0.839 18818 6200 1 11 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.499 -0.299 18818 6201 1 11 . 1 1 85 85 TRP H H 85 8.770 8.770 7.906 0.864 18818 6202 1 11 . 1 1 86 86 GLU N N 86 119.100 119.100 117.554 1.546 18818 6203 1 11 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.917 0.163 18818 6204 1 11 . 1 1 86 86 GLU C C 86 179.100 179.100 178.922 0.178 18818 6205 1 11 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.417 -0.117 18818 6206 1 11 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.999 0.501 18818 6207 1 11 . 1 1 86 86 GLU H H 86 8.150 8.150 8.041 0.109 18818 6208 1 11 . 1 1 87 87 LEU N N 87 120.800 120.800 120.098 0.702 18818 6209 1 11 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.030 0.020 18818 6210 1 11 . 1 1 87 87 LEU C C 87 178.900 178.900 178.336 0.564 18818 6211 1 11 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.956 0.944 18818 6212 1 11 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.991 -0.691 18818 6213 1 11 . 1 1 87 87 LEU H H 87 7.600 7.600 7.377 0.223 18818 6214 1 11 . 1 1 88 88 ILE N N 88 115.200 115.200 119.466 -4.266 18818 6215 1 11 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.316 0.264 18818 6216 1 11 . 1 1 88 88 ILE C C 88 177.300 177.300 177.460 -0.160 18818 6217 1 11 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.070 -2.070 18818 6218 1 11 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.718 -1.118 18818 6219 1 11 . 1 1 88 88 ILE H H 88 7.960 7.960 7.456 0.504 18818 6220 1 11 . 1 1 89 89 GLY N N 89 108.100 108.100 108.103 -0.003 18818 6221 1 11 . 1 1 89 89 GLY C C 89 175.700 175.700 175.151 0.549 18818 6222 1 11 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.139 -1.739 18818 6223 1 11 . 1 1 89 89 GLY H H 89 7.620 7.620 7.676 -0.056 18818 6224 1 11 . 1 1 90 90 GLU N N 90 120.000 120.000 120.888 -0.888 18818 6225 1 11 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.077 -0.117 18818 6226 1 11 . 1 1 90 90 GLU C C 90 179.100 179.100 178.890 0.210 18818 6227 1 11 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.083 0.117 18818 6228 1 11 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.420 -0.620 18818 6229 1 11 . 1 1 90 90 GLU H H 90 7.410 7.410 7.412 -0.002 18818 6230 1 11 . 1 1 91 91 ALA N N 91 122.400 122.400 123.066 -0.666 18818 6231 1 11 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.893 0.127 18818 6232 1 11 . 1 1 91 91 ALA C C 91 178.700 178.700 178.809 -0.109 18818 6233 1 11 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.946 -0.946 18818 6234 1 11 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.270 -0.270 18818 6235 1 11 . 1 1 91 91 ALA H H 91 7.610 7.610 7.616 -0.006 18818 6236 1 11 . 1 1 92 92 ALA N N 92 118.000 118.000 117.828 0.172 18818 6237 1 11 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.324 -0.654 18818 6238 1 11 . 1 1 92 92 ALA C C 92 177.900 177.900 178.434 -0.534 18818 6239 1 11 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.722 0.178 18818 6240 1 11 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.293 -0.393 18818 6241 1 11 . 1 1 92 92 ALA H H 92 7.740 7.740 8.292 -0.552 18818 6242 1 11 . 1 1 93 93 LYS N N 93 114.600 114.600 116.017 -1.417 18818 6243 1 11 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.291 -0.521 18818 6244 1 11 . 1 1 93 93 LYS C C 93 177.000 177.000 177.672 -0.672 18818 6245 1 11 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.179 -0.679 18818 6246 1 11 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.766 -0.966 18818 6247 1 11 . 1 1 93 93 LYS H H 93 7.200 7.200 7.518 -0.318 18818 6248 1 11 . 1 1 94 94 SER N N 94 113.000 113.000 113.676 -0.676 18818 6249 1 11 . 1 1 94 94 SER HA H 94 4.450 4.450 4.452 -0.002 18818 6250 1 11 . 1 1 94 94 SER C C 94 174.500 174.500 174.589 -0.089 18818 6251 1 11 . 1 1 94 94 SER CA C 94 58.800 58.800 59.133 -0.333 18818 6252 1 11 . 1 1 94 94 SER CB C 94 63.900 63.900 64.917 -1.017 18818 6253 1 11 . 1 1 94 94 SER H H 94 7.530 7.530 7.821 -0.291 18818 6254 1 11 . 1 1 95 95 VAL N N 95 122.100 122.100 119.973 2.127 18818 6255 1 11 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.264 -0.324 18818 6256 1 11 . 1 1 95 95 VAL C C 95 175.400 175.400 173.342 2.058 18818 6257 1 11 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.592 1.608 18818 6258 1 11 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.390 -1.890 18818 6259 1 11 . 1 1 95 95 VAL H H 95 7.440 7.440 7.605 -0.165 18818 6260 1 11 . 1 1 96 96 LYS N N 96 126.300 126.300 125.994 0.306 18818 6261 1 11 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.527 -0.127 18818 6262 1 11 . 1 1 96 96 LYS C C 96 176.000 176.000 175.564 0.436 18818 6263 1 11 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.009 0.491 18818 6264 1 11 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.473 -1.973 18818 6265 1 11 . 1 1 96 96 LYS H H 96 8.470 8.470 8.337 0.133 18818 6266 1 11 . 1 1 97 97 LEU N N 97 123.400 123.400 123.731 -0.331 18818 6267 1 11 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.287 0.123 18818 6268 1 11 . 1 1 97 97 LEU C C 97 176.700 176.700 177.712 -1.012 18818 6269 1 11 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.949 -1.549 18818 6270 1 11 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.128 0.172 18818 6271 1 11 . 1 1 97 97 LEU H H 97 8.140 8.140 8.351 -0.211 18818 6272 1 11 . 1 1 98 98 GLU N N 98 121.400 121.400 121.593 -0.193 18818 6273 1 11 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.057 0.283 18818 6274 1 11 . 1 1 98 98 GLU C C 98 175.900 175.900 176.350 -0.450 18818 6275 1 11 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.394 -1.194 18818 6276 1 11 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.943 0.157 18818 6277 1 11 . 1 1 98 98 GLU H H 98 8.320 8.320 8.552 -0.232 18818 6278 1 11 . 1 1 99 99 ARG N N 99 122.800 122.800 120.854 1.946 18818 6279 1 11 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.346 0.464 18818 6280 1 11 . 1 1 99 99 ARG C C 99 173.900 173.900 174.640 -0.740 18818 6281 1 11 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.049 -1.449 18818 6282 1 11 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.549 0.351 18818 6283 1 11 . 1 1 99 99 ARG H H 99 8.280 8.280 7.798 0.482 18818 6284 1 11 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.430 0.090 18818 6285 1 11 . 1 1 100 100 PRO C C 100 176.700 176.700 175.807 0.893 18818 6286 1 11 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.989 -0.189 18818 6287 1 11 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.300 -0.600 18818 6288 1 11 . 1 1 101 101 VAL N N 101 120.500 120.500 119.248 1.252 18818 6289 1 11 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.395 -0.265 18818 6290 1 11 . 1 1 101 101 VAL C C 101 176.000 176.000 176.320 -0.320 18818 6291 1 11 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.812 0.288 18818 6292 1 11 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.306 -2.106 18818 6293 1 11 . 1 1 101 101 VAL H H 101 8.230 8.230 8.192 0.038 18818 6294 1 11 . 1 1 102 102 ARG N N 102 124.600 124.600 124.877 -0.277 18818 6295 1 11 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.588 -0.168 18818 6296 1 11 . 1 1 102 102 ARG C C 102 176.400 176.400 176.354 0.046 18818 6297 1 11 . 1 1 102 102 ARG CA C 102 55.900 55.900 57.450 -1.550 18818 6298 1 11 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.566 0.135 18818 6299 1 11 . 1 1 102 102 ARG H H 102 8.390 8.390 9.061 -0.671 18818 6300 1 11 . 1 1 103 103 GLY N N 103 110.400 110.400 106.859 3.541 18818 6301 1 11 . 1 1 103 103 GLY C C 103 172.900 172.900 173.048 -0.148 18818 6302 1 11 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.638 0.362 18818 6303 1 11 . 1 1 103 103 GLY H H 103 8.400 8.400 7.864 0.536 18818 6304 1 12 . 1 1 5 5 ARG N N 5 124.100 124.100 126.056 -1.956 18818 6305 1 12 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.697 -0.647 18818 6306 1 12 . 1 1 5 5 ARG C C 5 173.800 173.800 174.882 -1.082 18818 6307 1 12 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.591 0.409 18818 6308 1 12 . 1 1 5 5 ARG CB C 5 30.700 30.700 32.694 -1.994 18818 6309 1 12 . 1 1 5 5 ARG H H 5 8.570 8.570 8.783 -0.213 18818 6310 1 12 . 1 1 6 6 SER N N 6 117.500 117.500 116.168 1.332 18818 6311 1 12 . 1 1 6 6 SER HA H 6 4.510 4.510 4.834 -0.324 18818 6312 1 12 . 1 1 6 6 SER C C 6 174.100 174.100 172.909 1.191 18818 6313 1 12 . 1 1 6 6 SER CA C 6 58.000 58.000 57.858 0.142 18818 6314 1 12 . 1 1 6 6 SER CB C 6 63.700 63.700 64.739 -1.039 18818 6315 1 12 . 1 1 6 6 SER H H 6 8.370 8.370 8.470 -0.100 18818 6316 1 12 . 1 1 7 7 ALA N N 7 125.900 125.900 124.888 1.012 18818 6317 1 12 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.608 -0.208 18818 6318 1 12 . 1 1 7 7 ALA C C 7 177.200 177.200 175.874 1.326 18818 6319 1 12 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.927 0.673 18818 6320 1 12 . 1 1 7 7 ALA CB C 7 19.000 19.000 20.314 -1.314 18818 6321 1 12 . 1 1 7 7 ALA H H 7 8.410 8.410 8.416 -0.006 18818 6322 1 12 . 1 1 8 8 ASN N N 8 117.400 117.400 120.231 -2.831 18818 6323 1 12 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.704 0.066 18818 6324 1 12 . 1 1 8 8 ASN C C 8 174.900 174.900 174.414 0.486 18818 6325 1 12 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.754 -0.854 18818 6326 1 12 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.622 -1.822 18818 6327 1 12 . 1 1 8 8 ASN H H 8 8.360 8.360 8.410 -0.050 18818 6328 1 12 . 1 1 9 9 ALA N N 9 124.400 124.400 124.177 0.223 18818 6329 1 12 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.071 0.279 18818 6330 1 12 . 1 1 9 9 ALA C C 9 177.800 177.800 177.145 0.655 18818 6331 1 12 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.276 -0.576 18818 6332 1 12 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.272 0.628 18818 6333 1 12 . 1 1 9 9 ALA H H 9 8.270 8.270 8.816 -0.546 18818 6334 1 12 . 1 1 10 10 GLU N N 10 119.300 119.300 117.185 2.115 18818 6335 1 12 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.155 0.155 18818 6336 1 12 . 1 1 10 10 GLU C C 10 176.400 176.400 176.456 -0.056 18818 6337 1 12 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.226 -1.326 18818 6338 1 12 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.489 0.111 18818 6339 1 12 . 1 1 10 10 GLU H H 10 8.470 8.470 8.568 -0.098 18818 6340 1 12 . 1 1 11 11 ASP N N 11 120.600 120.600 118.568 2.032 18818 6341 1 12 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.637 -0.027 18818 6342 1 12 . 1 1 11 11 ASP C C 11 176.100 176.100 176.010 0.090 18818 6343 1 12 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.558 -0.258 18818 6344 1 12 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.220 -0.420 18818 6345 1 12 . 1 1 11 11 ASP H H 11 8.200 8.200 8.058 0.142 18818 6346 1 12 . 1 1 12 12 ALA N N 12 123.800 123.800 122.794 1.006 18818 6347 1 12 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.248 -0.158 18818 6348 1 12 . 1 1 12 12 ALA C C 12 177.800 177.800 176.333 1.467 18818 6349 1 12 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.172 -0.673 18818 6350 1 12 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.248 1.552 18818 6351 1 12 . 1 1 12 12 ALA H H 12 8.070 8.070 8.524 -0.454 18818 6352 1 12 . 1 1 13 13 GLN N N 13 118.500 118.500 115.225 3.275 18818 6353 1 12 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.490 -0.220 18818 6354 1 12 . 1 1 13 13 GLN C C 13 175.700 175.700 176.008 -0.308 18818 6355 1 12 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.137 -0.237 18818 6356 1 12 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.678 -1.578 18818 6357 1 12 . 1 1 13 13 GLN H H 13 8.230 8.230 8.712 -0.482 18818 6358 1 12 . 1 1 14 14 GLU N N 14 120.600 120.600 118.424 2.176 18818 6359 1 12 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.062 0.238 18818 6360 1 12 . 1 1 14 14 GLU C C 14 175.800 175.800 175.276 0.524 18818 6361 1 12 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.304 -1.504 18818 6362 1 12 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.611 0.289 18818 6363 1 12 . 1 1 14 14 GLU H H 14 8.100 8.100 8.814 -0.714 18818 6364 1 12 . 1 1 15 15 PHE N N 15 121.100 121.100 116.320 4.780 18818 6365 1 12 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.791 0.089 18818 6366 1 12 . 1 1 15 15 PHE C C 15 176.900 176.900 175.721 1.179 18818 6367 1 12 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.814 -0.514 18818 6368 1 12 . 1 1 15 15 PHE CB C 15 39.300 39.300 42.742 -3.442 18818 6369 1 12 . 1 1 15 15 PHE H H 15 8.030 8.030 7.249 0.781 18818 6370 1 12 . 1 1 16 16 SER N N 16 119.400 119.400 117.405 1.995 18818 6371 1 12 . 1 1 16 16 SER HA H 16 4.850 4.850 4.337 0.513 18818 6372 1 12 . 1 1 16 16 SER C C 16 174.800 174.800 175.648 -0.848 18818 6373 1 12 . 1 1 16 16 SER CA C 16 57.000 57.000 58.577 -1.577 18818 6374 1 12 . 1 1 16 16 SER CB C 16 65.600 65.600 64.561 1.039 18818 6375 1 12 . 1 1 16 16 SER H H 16 9.530 9.530 8.933 0.597 18818 6376 1 12 . 1 1 17 17 ASP N N 17 121.300 121.300 121.680 -0.380 18818 6377 1 12 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.433 0.117 18818 6378 1 12 . 1 1 17 17 ASP C C 17 179.700 179.700 178.271 1.429 18818 6379 1 12 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.788 0.212 18818 6380 1 12 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.566 -1.067 18818 6381 1 12 . 1 1 17 17 ASP H H 17 9.270 9.270 8.912 0.358 18818 6382 1 12 . 1 1 18 18 VAL N N 18 120.600 120.600 119.947 0.653 18818 6383 1 12 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.903 -0.223 18818 6384 1 12 . 1 1 18 18 VAL C C 18 176.900 176.900 176.813 0.087 18818 6385 1 12 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.906 1.594 18818 6386 1 12 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.093 -0.193 18818 6387 1 12 . 1 1 18 18 VAL H H 18 8.230 8.230 7.546 0.684 18818 6388 1 12 . 1 1 19 19 GLU N N 19 121.000 121.000 120.351 0.649 18818 6389 1 12 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.020 -0.280 18818 6390 1 12 . 1 1 19 19 GLU C C 19 178.600 178.600 178.976 -0.376 18818 6391 1 12 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.774 0.226 18818 6392 1 12 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.815 -1.115 18818 6393 1 12 . 1 1 19 19 GLU H H 19 8.180 8.180 8.076 0.104 18818 6394 1 12 . 1 1 20 20 ARG N N 20 118.100 118.100 117.292 0.808 18818 6395 1 12 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.412 -0.112 18818 6396 1 12 . 1 1 20 20 ARG C C 20 178.700 178.700 177.917 0.783 18818 6397 1 12 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.267 0.833 18818 6398 1 12 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.787 -0.087 18818 6399 1 12 . 1 1 20 20 ARG H H 20 8.920 8.920 8.641 0.279 18818 6400 1 12 . 1 1 21 21 ALA N N 21 123.800 123.800 123.295 0.505 18818 6401 1 12 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.250 0.170 18818 6402 1 12 . 1 1 21 21 ALA C C 21 179.300 179.300 179.361 -0.061 18818 6403 1 12 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.718 0.482 18818 6404 1 12 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.395 -0.495 18818 6405 1 12 . 1 1 21 21 ALA H H 21 8.060 8.060 7.565 0.495 18818 6406 1 12 . 1 1 22 22 ILE N N 22 118.200 118.200 118.659 -0.459 18818 6407 1 12 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.669 0.051 18818 6408 1 12 . 1 1 22 22 ILE C C 22 177.500 177.500 177.910 -0.410 18818 6409 1 12 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.932 0.068 18818 6410 1 12 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.727 -0.327 18818 6411 1 12 . 1 1 22 22 ILE H H 22 8.010 8.010 8.146 -0.136 18818 6412 1 12 . 1 1 23 23 GLU N N 23 120.100 120.100 118.636 1.464 18818 6413 1 12 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.932 0.028 18818 6414 1 12 . 1 1 23 23 GLU C C 23 178.000 178.000 178.915 -0.915 18818 6415 1 12 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.886 0.414 18818 6416 1 12 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.248 0.252 18818 6417 1 12 . 1 1 23 23 GLU H H 23 8.450 8.450 7.933 0.517 18818 6418 1 12 . 1 1 24 24 THR N N 24 117.300 117.300 115.171 2.129 18818 6419 1 12 . 1 1 24 24 THR HA H 24 4.010 4.010 4.265 -0.255 18818 6420 1 12 . 1 1 24 24 THR C C 24 177.000 177.000 176.329 0.671 18818 6421 1 12 . 1 1 24 24 THR CA C 24 67.100 67.100 66.659 0.441 18818 6422 1 12 . 1 1 24 24 THR CB C 24 68.200 68.200 69.027 -0.827 18818 6423 1 12 . 1 1 24 24 THR H H 24 8.720 8.720 7.300 1.420 18818 6424 1 12 . 1 1 25 25 LEU N N 25 123.400 123.400 121.683 1.717 18818 6425 1 12 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.547 -0.267 18818 6426 1 12 . 1 1 25 25 LEU C C 25 178.200 178.200 178.387 -0.187 18818 6427 1 12 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.936 1.364 18818 6428 1 12 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.795 -0.095 18818 6429 1 12 . 1 1 25 25 LEU H H 25 8.150 8.150 8.076 0.074 18818 6430 1 12 . 1 1 26 26 ILE N N 26 119.500 119.500 119.791 -0.291 18818 6431 1 12 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.609 0.391 18818 6432 1 12 . 1 1 26 26 ILE C C 26 177.900 177.900 177.851 0.049 18818 6433 1 12 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.827 -0.727 18818 6434 1 12 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.669 -0.369 18818 6435 1 12 . 1 1 26 26 ILE H H 26 8.510 8.510 8.373 0.137 18818 6436 1 12 . 1 1 27 27 LYS N N 27 120.500 120.500 119.319 1.181 18818 6437 1 12 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.061 0.089 18818 6438 1 12 . 1 1 27 27 LYS C C 27 179.600 179.600 178.798 0.802 18818 6439 1 12 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.435 0.664 18818 6440 1 12 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.733 0.267 18818 6441 1 12 . 1 1 27 27 LYS H H 27 9.000 9.000 7.742 1.258 18818 6442 1 12 . 1 1 28 28 ASN N N 28 117.300 117.300 116.668 0.632 18818 6443 1 12 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.649 -0.089 18818 6444 1 12 . 1 1 28 28 ASN C C 28 176.000 176.000 177.455 -1.455 18818 6445 1 12 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.028 1.672 18818 6446 1 12 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.630 1.671 18818 6447 1 12 . 1 1 28 28 ASN H H 28 7.990 7.990 7.780 0.210 18818 6448 1 12 . 1 1 29 29 PHE N N 29 119.100 119.100 121.527 -2.427 18818 6449 1 12 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.714 0.196 18818 6450 1 12 . 1 1 29 29 PHE C C 29 176.200 176.200 177.565 -1.365 18818 6451 1 12 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.576 -0.376 18818 6452 1 12 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.957 -0.357 18818 6453 1 12 . 1 1 29 29 PHE H H 29 7.990 7.990 8.245 -0.255 18818 6454 1 12 . 1 1 30 30 HIS N N 30 114.700 114.700 116.085 -1.385 18818 6455 1 12 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.666 -0.346 18818 6456 1 12 . 1 1 30 30 HIS C C 30 177.400 177.400 176.457 0.943 18818 6457 1 12 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.543 -0.043 18818 6458 1 12 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.214 0.386 18818 6459 1 12 . 1 1 30 30 HIS H H 30 8.180 8.180 7.597 0.583 18818 6460 1 12 . 1 1 31 31 GLN N N 31 118.500 118.500 116.554 1.946 18818 6461 1 12 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.168 -0.088 18818 6462 1 12 . 1 1 31 31 GLN C C 31 176.600 176.600 176.513 0.087 18818 6463 1 12 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.487 0.312 18818 6464 1 12 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.251 -0.851 18818 6465 1 12 . 1 1 31 31 GLN H H 31 8.280 8.280 7.845 0.435 18818 6466 1 12 . 1 1 32 32 TYR N N 32 115.700 115.700 117.194 -1.494 18818 6467 1 12 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.534 -0.324 18818 6468 1 12 . 1 1 32 32 TYR C C 32 174.800 174.800 176.793 -1.993 18818 6469 1 12 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.529 1.171 18818 6470 1 12 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.715 -2.015 18818 6471 1 12 . 1 1 32 32 TYR H H 32 7.410 7.410 7.656 -0.246 18818 6472 1 12 . 1 1 33 33 SER N N 33 114.000 114.000 118.500 -4.500 18818 6473 1 12 . 1 1 33 33 SER HA H 33 4.530 4.530 4.247 0.283 18818 6474 1 12 . 1 1 33 33 SER C C 33 175.000 175.000 174.615 0.385 18818 6475 1 12 . 1 1 33 33 SER CA C 33 57.200 57.200 59.291 -2.091 18818 6476 1 12 . 1 1 33 33 SER CB C 33 63.200 63.200 61.044 2.156 18818 6477 1 12 . 1 1 33 33 SER H H 33 7.260 7.260 8.408 -1.148 18818 6478 1 12 . 1 1 34 34 VAL N N 34 126.600 126.600 122.740 3.860 18818 6479 1 12 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.732 0.278 18818 6480 1 12 . 1 1 34 34 VAL C C 34 177.800 177.800 177.336 0.464 18818 6481 1 12 . 1 1 34 34 VAL CA C 34 64.400 64.400 65.193 -0.793 18818 6482 1 12 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.646 0.454 18818 6483 1 12 . 1 1 34 34 VAL H H 34 8.490 8.490 7.558 0.932 18818 6484 1 12 . 1 1 35 35 GLU N N 35 122.100 122.100 121.315 0.785 18818 6485 1 12 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.140 0.110 18818 6486 1 12 . 1 1 35 35 GLU C C 35 177.800 177.800 177.964 -0.164 18818 6487 1 12 . 1 1 35 35 GLU CA C 35 57.500 57.500 58.224 -0.724 18818 6488 1 12 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.174 0.626 18818 6489 1 12 . 1 1 35 35 GLU H H 35 8.980 8.980 8.628 0.352 18818 6490 1 12 . 1 1 36 36 GLY N N 36 108.500 108.500 105.491 3.009 18818 6491 1 12 . 1 1 36 36 GLY C C 36 175.000 175.000 174.714 0.286 18818 6492 1 12 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.495 0.805 18818 6493 1 12 . 1 1 36 36 GLY H H 36 8.490 8.490 7.859 0.631 18818 6494 1 12 . 1 1 37 37 GLY N N 37 108.700 108.700 108.507 0.193 18818 6495 1 12 . 1 1 37 37 GLY C C 37 174.100 174.100 174.737 -0.637 18818 6496 1 12 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.525 0.275 18818 6497 1 12 . 1 1 37 37 GLY H H 37 8.140 8.140 7.600 0.540 18818 6498 1 12 . 1 1 38 38 LYS N N 38 118.000 118.000 114.621 3.379 18818 6499 1 12 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.847 0.623 18818 6500 1 12 . 1 1 38 38 LYS C C 38 176.000 176.000 175.908 0.092 18818 6501 1 12 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.655 -2.555 18818 6502 1 12 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.866 0.834 18818 6503 1 12 . 1 1 38 38 LYS H H 38 8.050 8.050 8.240 -0.190 18818 6504 1 12 . 1 1 39 39 GLU N N 39 118.100 118.100 114.765 3.335 18818 6505 1 12 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.734 -0.174 18818 6506 1 12 . 1 1 39 39 GLU C C 39 175.600 175.600 175.422 0.178 18818 6507 1 12 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.041 -0.242 18818 6508 1 12 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.069 -1.869 18818 6509 1 12 . 1 1 39 39 GLU H H 39 8.630 8.630 7.879 0.751 18818 6510 1 12 . 1 1 40 40 THR N N 40 108.100 108.100 109.457 -1.357 18818 6511 1 12 . 1 1 40 40 THR HA H 40 5.160 5.160 5.296 -0.136 18818 6512 1 12 . 1 1 40 40 THR C C 40 173.400 173.400 173.389 0.011 18818 6513 1 12 . 1 1 40 40 THR CA C 40 59.300 59.300 60.276 -0.976 18818 6514 1 12 . 1 1 40 40 THR CB C 40 72.100 72.100 71.753 0.347 18818 6515 1 12 . 1 1 40 40 THR H H 40 7.490 7.490 7.553 -0.063 18818 6516 1 12 . 1 1 41 41 LEU N N 41 120.700 120.700 121.276 -0.576 18818 6517 1 12 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.687 0.353 18818 6518 1 12 . 1 1 41 41 LEU C C 41 177.000 177.000 175.259 1.741 18818 6519 1 12 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.091 0.209 18818 6520 1 12 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.875 -0.575 18818 6521 1 12 . 1 1 41 41 LEU H H 41 8.660 8.660 8.387 0.273 18818 6522 1 12 . 1 1 42 42 THR N N 42 113.500 113.500 110.033 3.467 18818 6523 1 12 . 1 1 42 42 THR HA H 42 5.000 5.000 4.937 0.063 18818 6524 1 12 . 1 1 42 42 THR C C 42 174.100 174.100 173.464 0.636 18818 6525 1 12 . 1 1 42 42 THR CA C 42 59.800 59.800 58.341 1.459 18818 6526 1 12 . 1 1 42 42 THR CB C 42 68.100 68.100 70.278 -2.178 18818 6527 1 12 . 1 1 42 42 THR H H 42 9.130 9.130 7.972 1.158 18818 6528 1 12 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.177 -0.027 18818 6529 1 12 . 1 1 43 43 PRO C C 43 178.600 178.600 178.367 0.233 18818 6530 1 12 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.917 0.283 18818 6531 1 12 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.718 -0.018 18818 6532 1 12 . 1 1 44 44 SER N N 44 111.600 111.600 113.415 -1.815 18818 6533 1 12 . 1 1 44 44 SER HA H 44 4.170 4.170 4.212 -0.042 18818 6534 1 12 . 1 1 44 44 SER C C 44 176.200 176.200 176.641 -0.441 18818 6535 1 12 . 1 1 44 44 SER CA C 44 61.500 61.500 61.415 0.085 18818 6536 1 12 . 1 1 44 44 SER CB C 44 62.200 62.200 62.926 -0.726 18818 6537 1 12 . 1 1 44 44 SER H H 44 8.090 8.090 7.834 0.256 18818 6538 1 12 . 1 1 45 45 GLU N N 45 123.900 123.900 121.478 2.422 18818 6539 1 12 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.176 0.084 18818 6540 1 12 . 1 1 45 45 GLU C C 45 179.000 179.000 178.478 0.522 18818 6541 1 12 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.221 0.878 18818 6542 1 12 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.294 0.406 18818 6543 1 12 . 1 1 45 45 GLU H H 45 7.700 7.700 7.526 0.174 18818 6544 1 12 . 1 1 46 46 LEU N N 46 118.900 118.900 121.454 -2.554 18818 6545 1 12 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.962 0.118 18818 6546 1 12 . 1 1 46 46 LEU C C 46 177.600 177.600 178.426 -0.826 18818 6547 1 12 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.254 -0.954 18818 6548 1 12 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.073 -1.173 18818 6549 1 12 . 1 1 46 46 LEU H H 46 8.400 8.400 8.653 -0.253 18818 6550 1 12 . 1 1 47 47 ARG N N 47 119.300 119.300 115.725 3.575 18818 6551 1 12 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.984 -0.214 18818 6552 1 12 . 1 1 47 47 ARG C C 47 178.900 178.900 177.895 1.005 18818 6553 1 12 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.685 1.315 18818 6554 1 12 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.479 -0.479 18818 6555 1 12 . 1 1 47 47 ARG H H 47 8.260 8.260 7.901 0.359 18818 6556 1 12 . 1 1 48 48 ASP N N 48 122.300 122.300 120.425 1.875 18818 6557 1 12 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.534 -0.104 18818 6558 1 12 . 1 1 48 48 ASP C C 48 176.700 176.700 178.000 -1.300 18818 6559 1 12 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.961 0.539 18818 6560 1 12 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.302 -1.902 18818 6561 1 12 . 1 1 48 48 ASP H H 48 8.160 8.160 7.315 0.845 18818 6562 1 12 . 1 1 49 49 LEU N N 49 122.600 122.600 118.887 3.713 18818 6563 1 12 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.953 -0.783 18818 6564 1 12 . 1 1 49 49 LEU C C 49 179.100 179.100 178.377 0.723 18818 6565 1 12 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.550 1.450 18818 6566 1 12 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.123 0.177 18818 6567 1 12 . 1 1 49 49 LEU H H 49 7.980 7.980 8.176 -0.196 18818 6568 1 12 . 1 1 50 50 VAL N N 50 118.200 118.200 120.784 -2.584 18818 6569 1 12 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.606 -0.056 18818 6570 1 12 . 1 1 50 50 VAL C C 50 178.800 178.800 178.381 0.419 18818 6571 1 12 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.570 -1.169 18818 6572 1 12 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.013 0.487 18818 6573 1 12 . 1 1 50 50 VAL H H 50 8.390 8.390 7.832 0.558 18818 6574 1 12 . 1 1 51 51 THR N N 51 115.000 115.000 111.334 3.666 18818 6575 1 12 . 1 1 51 51 THR HA H 51 3.990 3.990 4.096 -0.106 18818 6576 1 12 . 1 1 51 51 THR C C 51 176.000 176.000 175.502 0.498 18818 6577 1 12 . 1 1 51 51 THR CA C 51 65.800 65.800 64.804 0.996 18818 6578 1 12 . 1 1 51 51 THR CB C 51 68.900 68.900 68.521 0.379 18818 6579 1 12 . 1 1 51 51 THR H H 51 8.480 8.480 8.363 0.117 18818 6580 1 12 . 1 1 52 52 GLN N N 52 116.400 116.400 118.624 -2.224 18818 6581 1 12 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.285 -0.035 18818 6582 1 12 . 1 1 52 52 GLN C C 52 178.300 178.300 177.266 1.034 18818 6583 1 12 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.750 0.050 18818 6584 1 12 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.861 -1.361 18818 6585 1 12 . 1 1 52 52 GLN H H 52 8.180 8.180 7.493 0.687 18818 6586 1 12 . 1 1 53 53 GLN N N 53 112.100 112.100 116.638 -4.538 18818 6587 1 12 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.528 0.322 18818 6588 1 12 . 1 1 53 53 GLN C C 53 176.900 176.900 176.134 0.766 18818 6589 1 12 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.769 -0.769 18818 6590 1 12 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.573 -2.174 18818 6591 1 12 . 1 1 53 53 GLN H H 53 8.490 8.490 8.274 0.216 18818 6592 1 12 . 1 1 54 54 LEU N N 54 119.800 119.800 120.260 -0.460 18818 6593 1 12 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.889 0.361 18818 6594 1 12 . 1 1 54 54 LEU C C 54 176.900 176.900 174.570 2.330 18818 6595 1 12 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.623 1.277 18818 6596 1 12 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.908 0.192 18818 6597 1 12 . 1 1 54 54 LEU H H 54 7.920 7.920 8.050 -0.130 18818 6598 1 12 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.281 0.189 18818 6599 1 12 . 1 1 55 55 PRO C C 55 178.300 178.300 177.039 1.261 18818 6600 1 12 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.490 0.811 18818 6601 1 12 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.787 -1.087 18818 6602 1 12 . 1 1 56 56 HIS N N 56 116.500 116.500 115.788 0.712 18818 6603 1 12 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.580 0.010 18818 6604 1 12 . 1 1 56 56 HIS C C 56 176.300 176.300 176.151 0.149 18818 6605 1 12 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.760 0.040 18818 6606 1 12 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.554 -1.254 18818 6607 1 12 . 1 1 56 56 HIS H H 56 9.770 9.770 7.899 1.871 18818 6608 1 12 . 1 1 57 57 LEU N N 57 116.600 116.600 118.509 -1.909 18818 6609 1 12 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.394 -0.064 18818 6610 1 12 . 1 1 57 57 LEU C C 57 176.400 176.400 176.325 0.075 18818 6611 1 12 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.769 -0.368 18818 6612 1 12 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.449 0.051 18818 6613 1 12 . 1 1 57 57 LEU H H 57 7.830 7.830 7.902 -0.072 18818 6614 1 12 . 1 1 58 58 MET N N 58 118.000 118.000 117.786 0.214 18818 6615 1 12 . 1 1 58 58 MET HA H 58 4.540 4.540 4.835 -0.295 18818 6616 1 12 . 1 1 58 58 MET C C 58 171.600 171.600 173.057 -1.457 18818 6617 1 12 . 1 1 58 58 MET CA C 58 53.500 53.500 51.942 1.558 18818 6618 1 12 . 1 1 58 58 MET CB C 58 32.700 32.700 33.591 -0.891 18818 6619 1 12 . 1 1 58 58 MET H H 58 7.970 7.970 8.026 -0.056 18818 6620 1 12 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.571 -0.121 18818 6621 1 12 . 1 1 59 59 PRO C C 59 177.400 177.400 177.670 -0.270 18818 6622 1 12 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.148 0.952 18818 6623 1 12 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.715 -0.815 18818 6624 1 12 . 1 1 60 60 SER N N 60 114.900 114.900 115.989 -1.089 18818 6625 1 12 . 1 1 60 60 SER HA H 60 4.340 4.340 4.283 0.057 18818 6626 1 12 . 1 1 60 60 SER C C 60 174.700 174.700 175.433 -0.733 18818 6627 1 12 . 1 1 60 60 SER CA C 60 59.100 59.100 59.809 -0.709 18818 6628 1 12 . 1 1 60 60 SER CB C 60 63.200 63.200 62.827 0.373 18818 6629 1 12 . 1 1 60 60 SER H H 60 8.360 8.360 8.913 -0.553 18818 6630 1 12 . 1 1 61 61 ASN N N 61 120.800 120.800 118.493 2.307 18818 6631 1 12 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.574 0.236 18818 6632 1 12 . 1 1 61 61 ASN C C 61 175.500 175.500 175.370 0.130 18818 6633 1 12 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.943 -1.942 18818 6634 1 12 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.798 -0.898 18818 6635 1 12 . 1 1 61 61 ASN H H 61 7.990 7.990 8.193 -0.203 18818 6636 1 12 . 1 1 62 62 CYS N N 62 117.800 117.800 118.985 -1.185 18818 6637 1 12 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.602 -0.012 18818 6638 1 12 . 1 1 62 62 CYS C C 62 175.300 175.300 174.326 0.974 18818 6639 1 12 . 1 1 62 62 CYS CA C 62 59.200 59.200 58.742 0.458 18818 6640 1 12 . 1 1 62 62 CYS CB C 62 27.400 27.400 30.508 -3.108 18818 6641 1 12 . 1 1 62 62 CYS H H 62 8.260 8.260 7.578 0.682 18818 6642 1 12 . 1 1 63 63 GLY N N 63 111.300 111.300 111.747 -0.447 18818 6643 1 12 . 1 1 63 63 GLY C C 63 175.600 175.600 175.265 0.335 18818 6644 1 12 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.028 1.272 18818 6645 1 12 . 1 1 63 63 GLY H H 63 8.520 8.520 8.651 -0.131 18818 6646 1 12 . 1 1 64 64 LEU N N 64 122.400 122.400 124.687 -2.287 18818 6647 1 12 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.263 -0.213 18818 6648 1 12 . 1 1 64 64 LEU C C 64 177.900 177.900 178.144 -0.244 18818 6649 1 12 . 1 1 64 64 LEU CA C 64 57.600 57.600 55.729 1.871 18818 6650 1 12 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.264 0.736 18818 6651 1 12 . 1 1 64 64 LEU H H 64 7.910 7.910 8.380 -0.470 18818 6652 1 12 . 1 1 65 65 GLU N N 65 117.900 117.900 119.928 -2.028 18818 6653 1 12 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.865 0.045 18818 6654 1 12 . 1 1 65 65 GLU C C 65 179.100 179.100 177.955 1.145 18818 6655 1 12 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.700 1.300 18818 6656 1 12 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.451 -0.051 18818 6657 1 12 . 1 1 65 65 GLU H H 65 8.660 8.660 8.938 -0.278 18818 6658 1 12 . 1 1 66 66 GLU N N 66 120.000 120.000 119.342 0.658 18818 6659 1 12 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.054 0.066 18818 6660 1 12 . 1 1 66 66 GLU C C 66 178.200 178.200 178.295 -0.095 18818 6661 1 12 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.840 0.260 18818 6662 1 12 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.192 -0.092 18818 6663 1 12 . 1 1 66 66 GLU H H 66 8.220 8.220 8.086 0.134 18818 6664 1 12 . 1 1 67 67 LYS N N 67 119.300 119.300 117.289 2.011 18818 6665 1 12 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.238 -0.098 18818 6666 1 12 . 1 1 67 67 LYS C C 67 179.400 179.400 178.546 0.854 18818 6667 1 12 . 1 1 67 67 LYS CA C 67 58.900 58.900 56.854 2.046 18818 6668 1 12 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.564 -0.464 18818 6669 1 12 . 1 1 67 67 LYS H H 67 7.780 7.780 7.757 0.023 18818 6670 1 12 . 1 1 68 68 ILE N N 68 118.400 118.400 120.211 -1.811 18818 6671 1 12 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.710 0.010 18818 6672 1 12 . 1 1 68 68 ILE C C 68 177.800 177.800 177.393 0.407 18818 6673 1 12 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.755 -0.255 18818 6674 1 12 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.761 -0.461 18818 6675 1 12 . 1 1 68 68 ILE H H 68 8.230 8.230 7.363 0.867 18818 6676 1 12 . 1 1 69 69 ALA N N 69 122.900 122.900 119.272 3.628 18818 6677 1 12 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.138 0.082 18818 6678 1 12 . 1 1 69 69 ALA C C 69 179.600 179.600 178.159 1.441 18818 6679 1 12 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.227 0.173 18818 6680 1 12 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.260 -0.360 18818 6681 1 12 . 1 1 69 69 ALA H H 69 8.070 8.070 8.031 0.039 18818 6682 1 12 . 1 1 70 70 ASN N N 70 115.400 115.400 116.625 -1.225 18818 6683 1 12 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.600 0.270 18818 6684 1 12 . 1 1 70 70 ASN C C 70 176.500 176.500 177.295 -0.795 18818 6685 1 12 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.023 -0.723 18818 6686 1 12 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.866 -0.166 18818 6687 1 12 . 1 1 70 70 ASN H H 70 7.880 7.880 7.521 0.359 18818 6688 1 12 . 1 1 71 71 LEU N N 71 120.600 120.600 120.055 0.545 18818 6689 1 12 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.020 0.310 18818 6690 1 12 . 1 1 71 71 LEU C C 71 178.300 178.300 177.897 0.403 18818 6691 1 12 . 1 1 71 71 LEU CA C 71 56.300 56.300 57.187 -0.887 18818 6692 1 12 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.464 -0.164 18818 6693 1 12 . 1 1 71 71 LEU H H 71 7.820 7.820 7.472 0.348 18818 6694 1 12 . 1 1 72 72 GLY N N 72 106.800 106.800 106.991 -0.191 18818 6695 1 12 . 1 1 72 72 GLY C C 72 174.400 174.400 175.065 -0.665 18818 6696 1 12 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.911 0.789 18818 6697 1 12 . 1 1 72 72 GLY H H 72 8.240 8.240 7.941 0.299 18818 6698 1 12 . 1 1 73 73 SER N N 73 115.600 115.600 118.138 -2.538 18818 6699 1 12 . 1 1 73 73 SER HA H 73 4.570 4.570 4.675 -0.105 18818 6700 1 12 . 1 1 73 73 SER C C 73 175.000 175.000 174.299 0.701 18818 6701 1 12 . 1 1 73 73 SER CA C 73 58.900 58.900 58.054 0.846 18818 6702 1 12 . 1 1 73 73 SER CB C 73 63.600 63.600 62.314 1.286 18818 6703 1 12 . 1 1 73 73 SER H H 73 8.220 8.220 8.676 -0.456 18818 6704 1 12 . 1 1 74 74 CYS N N 74 119.300 119.300 120.835 -1.535 18818 6705 1 12 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.250 0.400 18818 6706 1 12 . 1 1 74 74 CYS C C 74 174.500 174.500 174.489 0.011 18818 6707 1 12 . 1 1 74 74 CYS CA C 74 58.700 58.700 60.694 -1.994 18818 6708 1 12 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.851 -1.151 18818 6709 1 12 . 1 1 74 74 CYS H H 74 8.260 8.260 7.606 0.654 18818 6710 1 12 . 1 1 75 75 ASN N N 75 120.000 120.000 115.000 5.000 18818 6711 1 12 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.910 -0.070 18818 6712 1 12 . 1 1 75 75 ASN C C 75 174.700 174.700 173.890 0.810 18818 6713 1 12 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.123 0.676 18818 6714 1 12 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.413 -0.513 18818 6715 1 12 . 1 1 75 75 ASN H H 75 8.430 8.430 8.339 0.091 18818 6716 1 12 . 1 1 76 76 ASP N N 76 119.200 119.200 121.402 -2.202 18818 6717 1 12 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.442 0.228 18818 6718 1 12 . 1 1 76 76 ASP C C 76 175.500 175.500 177.337 -1.837 18818 6719 1 12 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.271 -1.871 18818 6720 1 12 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.178 -0.578 18818 6721 1 12 . 1 1 76 76 ASP H H 76 8.300 8.300 8.590 -0.290 18818 6722 1 12 . 1 1 77 77 SER N N 77 112.800 112.800 110.658 2.142 18818 6723 1 12 . 1 1 77 77 SER HA H 77 4.260 4.260 4.405 -0.145 18818 6724 1 12 . 1 1 77 77 SER C C 77 173.300 173.300 174.831 -1.531 18818 6725 1 12 . 1 1 77 77 SER CA C 77 59.000 59.000 59.591 -0.591 18818 6726 1 12 . 1 1 77 77 SER CB C 77 63.100 63.100 63.490 -0.390 18818 6727 1 12 . 1 1 77 77 SER H H 77 8.220 8.220 7.834 0.386 18818 6728 1 12 . 1 1 78 78 LYS N N 78 120.600 120.600 120.426 0.174 18818 6729 1 12 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.584 -0.024 18818 6730 1 12 . 1 1 78 78 LYS C C 78 175.300 175.300 175.134 0.166 18818 6731 1 12 . 1 1 78 78 LYS CA C 78 55.600 55.600 55.086 0.514 18818 6732 1 12 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.867 0.433 18818 6733 1 12 . 1 1 78 78 LYS H H 78 7.930 7.930 7.840 0.090 18818 6734 1 12 . 1 1 79 79 LEU N N 79 123.700 123.700 125.347 -1.647 18818 6735 1 12 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.487 0.293 18818 6736 1 12 . 1 1 79 79 LEU C C 79 176.100 176.100 175.880 0.220 18818 6737 1 12 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.343 -0.143 18818 6738 1 12 . 1 1 79 79 LEU CB C 79 42.000 42.000 40.983 1.017 18818 6739 1 12 . 1 1 79 79 LEU H H 79 9.020 9.020 8.815 0.205 18818 6740 1 12 . 1 1 80 80 GLU N N 80 121.200 121.200 123.192 -1.992 18818 6741 1 12 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.821 0.079 18818 6742 1 12 . 1 1 80 80 GLU C C 80 177.100 177.100 178.159 -1.059 18818 6743 1 12 . 1 1 80 80 GLU CA C 80 55.200 55.200 56.333 -1.133 18818 6744 1 12 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.451 1.149 18818 6745 1 12 . 1 1 80 80 GLU H H 80 8.630 8.630 8.077 0.553 18818 6746 1 12 . 1 1 81 81 PHE N N 81 123.500 123.500 121.460 2.040 18818 6747 1 12 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.226 0.304 18818 6748 1 12 . 1 1 81 81 PHE C C 81 177.000 177.000 176.822 0.178 18818 6749 1 12 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.559 -0.259 18818 6750 1 12 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.672 -0.172 18818 6751 1 12 . 1 1 81 81 PHE H H 81 9.360 9.360 8.810 0.550 18818 6752 1 12 . 1 1 82 82 ARG N N 82 116.500 116.500 118.459 -1.959 18818 6753 1 12 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.859 0.181 18818 6754 1 12 . 1 1 82 82 ARG C C 82 178.000 178.000 177.987 0.013 18818 6755 1 12 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.690 0.511 18818 6756 1 12 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.392 -0.192 18818 6757 1 12 . 1 1 82 82 ARG H H 82 8.940 8.940 8.429 0.511 18818 6758 1 12 . 1 1 83 83 SER N N 83 115.700 115.700 114.507 1.193 18818 6759 1 12 . 1 1 83 83 SER HA H 83 4.510 4.510 4.363 0.147 18818 6760 1 12 . 1 1 83 83 SER C C 83 175.800 175.800 175.726 0.074 18818 6761 1 12 . 1 1 83 83 SER CA C 83 61.700 61.700 61.605 0.096 18818 6762 1 12 . 1 1 83 83 SER CB C 83 62.700 62.700 63.542 -0.842 18818 6763 1 12 . 1 1 83 83 SER H H 83 7.610 7.610 7.901 -0.291 18818 6764 1 12 . 1 1 84 84 PHE N N 84 122.200 122.200 123.594 -1.394 18818 6765 1 12 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.197 0.023 18818 6766 1 12 . 1 1 84 84 PHE C C 84 175.000 175.000 176.947 -1.947 18818 6767 1 12 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.808 -0.808 18818 6768 1 12 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.486 -0.285 18818 6769 1 12 . 1 1 84 84 PHE H H 84 7.490 7.490 7.612 -0.122 18818 6770 1 12 . 1 1 85 85 TRP N N 85 120.700 120.700 120.422 0.278 18818 6771 1 12 . 1 1 85 85 TRP HA H 85 3.760 3.760 3.939 -0.179 18818 6772 1 12 . 1 1 85 85 TRP CA C 85 59.800 59.800 61.141 -1.341 18818 6773 1 12 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.162 0.038 18818 6774 1 12 . 1 1 85 85 TRP H H 85 8.770 8.770 8.728 0.042 18818 6775 1 12 . 1 1 86 86 GLU N N 86 119.100 119.100 117.086 2.014 18818 6776 1 12 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.888 0.192 18818 6777 1 12 . 1 1 86 86 GLU C C 86 179.100 179.100 178.916 0.184 18818 6778 1 12 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.452 -0.152 18818 6779 1 12 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.896 0.604 18818 6780 1 12 . 1 1 86 86 GLU H H 86 8.150 8.150 7.752 0.398 18818 6781 1 12 . 1 1 87 87 LEU N N 87 120.800 120.800 120.217 0.583 18818 6782 1 12 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.022 0.028 18818 6783 1 12 . 1 1 87 87 LEU C C 87 178.900 178.900 178.419 0.481 18818 6784 1 12 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.285 0.615 18818 6785 1 12 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.113 -0.813 18818 6786 1 12 . 1 1 87 87 LEU H H 87 7.600 7.600 7.481 0.119 18818 6787 1 12 . 1 1 88 88 ILE N N 88 115.200 115.200 119.227 -4.027 18818 6788 1 12 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.416 0.164 18818 6789 1 12 . 1 1 88 88 ILE C C 88 177.300 177.300 177.538 -0.238 18818 6790 1 12 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.077 -2.077 18818 6791 1 12 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.860 -1.260 18818 6792 1 12 . 1 1 88 88 ILE H H 88 7.960 7.960 7.064 0.896 18818 6793 1 12 . 1 1 89 89 GLY N N 89 108.100 108.100 107.597 0.503 18818 6794 1 12 . 1 1 89 89 GLY C C 89 175.700 175.700 175.549 0.151 18818 6795 1 12 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.129 -1.729 18818 6796 1 12 . 1 1 89 89 GLY H H 89 7.620 7.620 8.012 -0.392 18818 6797 1 12 . 1 1 90 90 GLU N N 90 120.000 120.000 121.722 -1.722 18818 6798 1 12 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.046 -0.086 18818 6799 1 12 . 1 1 90 90 GLU C C 90 179.100 179.100 178.559 0.541 18818 6800 1 12 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.291 -0.091 18818 6801 1 12 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.369 -0.569 18818 6802 1 12 . 1 1 90 90 GLU H H 90 7.410 7.410 7.487 -0.077 18818 6803 1 12 . 1 1 91 91 ALA N N 91 122.400 122.400 122.821 -0.421 18818 6804 1 12 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.921 0.099 18818 6805 1 12 . 1 1 91 91 ALA C C 91 178.700 178.700 179.187 -0.487 18818 6806 1 12 . 1 1 91 91 ALA CA C 91 54.000 54.000 55.123 -1.123 18818 6807 1 12 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.104 -0.104 18818 6808 1 12 . 1 1 91 91 ALA H H 91 7.610 7.610 7.692 -0.082 18818 6809 1 12 . 1 1 92 92 ALA N N 92 118.000 118.000 119.870 -1.870 18818 6810 1 12 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.403 -0.733 18818 6811 1 12 . 1 1 92 92 ALA C C 92 177.900 177.900 179.734 -1.834 18818 6812 1 12 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.178 -0.278 18818 6813 1 12 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.601 -0.701 18818 6814 1 12 . 1 1 92 92 ALA H H 92 7.740 7.740 8.052 -0.312 18818 6815 1 12 . 1 1 93 93 LYS N N 93 114.600 114.600 118.701 -4.101 18818 6816 1 12 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.060 -0.290 18818 6817 1 12 . 1 1 93 93 LYS C C 93 177.000 177.000 177.275 -0.275 18818 6818 1 12 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.587 -1.087 18818 6819 1 12 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.236 -0.436 18818 6820 1 12 . 1 1 93 93 LYS H H 93 7.200 7.200 8.034 -0.834 18818 6821 1 12 . 1 1 94 94 SER N N 94 113.000 113.000 113.383 -0.383 18818 6822 1 12 . 1 1 94 94 SER HA H 94 4.450 4.450 4.456 -0.006 18818 6823 1 12 . 1 1 94 94 SER C C 94 174.500 174.500 174.256 0.244 18818 6824 1 12 . 1 1 94 94 SER CA C 94 58.800 58.800 60.048 -1.248 18818 6825 1 12 . 1 1 94 94 SER CB C 94 63.900 63.900 64.734 -0.834 18818 6826 1 12 . 1 1 94 94 SER H H 94 7.530 7.530 7.576 -0.046 18818 6827 1 12 . 1 1 95 95 VAL N N 95 122.100 122.100 119.876 2.224 18818 6828 1 12 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.258 -0.318 18818 6829 1 12 . 1 1 95 95 VAL C C 95 175.400 175.400 173.773 1.627 18818 6830 1 12 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.764 1.436 18818 6831 1 12 . 1 1 95 95 VAL CB C 95 31.500 31.500 34.709 -3.209 18818 6832 1 12 . 1 1 95 95 VAL H H 95 7.440 7.440 7.931 -0.491 18818 6833 1 12 . 1 1 96 96 LYS N N 96 126.300 126.300 125.550 0.750 18818 6834 1 12 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.644 -0.244 18818 6835 1 12 . 1 1 96 96 LYS C C 96 176.000 176.000 174.978 1.022 18818 6836 1 12 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.732 0.768 18818 6837 1 12 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.611 -2.111 18818 6838 1 12 . 1 1 96 96 LYS H H 96 8.470 8.470 8.332 0.138 18818 6839 1 12 . 1 1 97 97 LEU N N 97 123.400 123.400 124.136 -0.736 18818 6840 1 12 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.321 0.089 18818 6841 1 12 . 1 1 97 97 LEU C C 97 176.700 176.700 176.730 -0.030 18818 6842 1 12 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.351 -0.951 18818 6843 1 12 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.160 0.140 18818 6844 1 12 . 1 1 97 97 LEU H H 97 8.140 8.140 8.287 -0.147 18818 6845 1 12 . 1 1 98 98 GLU N N 98 121.400 121.400 125.298 -3.898 18818 6846 1 12 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.414 -0.074 18818 6847 1 12 . 1 1 98 98 GLU C C 98 175.900 175.900 175.815 0.085 18818 6848 1 12 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.043 0.157 18818 6849 1 12 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.216 -0.116 18818 6850 1 12 . 1 1 98 98 GLU H H 98 8.320 8.320 8.540 -0.220 18818 6851 1 12 . 1 1 99 99 ARG N N 99 122.800 122.800 124.698 -1.898 18818 6852 1 12 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.853 -0.043 18818 6853 1 12 . 1 1 99 99 ARG C C 99 173.900 173.900 174.456 -0.556 18818 6854 1 12 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.504 0.096 18818 6855 1 12 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.649 0.251 18818 6856 1 12 . 1 1 99 99 ARG H H 99 8.280 8.280 8.603 -0.323 18818 6857 1 12 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.484 0.036 18818 6858 1 12 . 1 1 100 100 PRO C C 100 176.700 176.700 176.082 0.618 18818 6859 1 12 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.947 -0.146 18818 6860 1 12 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.309 -0.609 18818 6861 1 12 . 1 1 101 101 VAL N N 101 120.500 120.500 120.878 -0.378 18818 6862 1 12 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.322 -0.192 18818 6863 1 12 . 1 1 101 101 VAL C C 101 176.000 176.000 175.686 0.314 18818 6864 1 12 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.322 -0.222 18818 6865 1 12 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.803 -2.603 18818 6866 1 12 . 1 1 101 101 VAL H H 101 8.230 8.230 8.071 0.159 18818 6867 1 12 . 1 1 102 102 ARG N N 102 124.600 124.600 125.715 -1.115 18818 6868 1 12 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.567 -0.147 18818 6869 1 12 . 1 1 102 102 ARG C C 102 176.400 176.400 176.369 0.031 18818 6870 1 12 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.002 -0.102 18818 6871 1 12 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.266 -0.566 18818 6872 1 12 . 1 1 102 102 ARG H H 102 8.390 8.390 8.678 -0.288 18818 6873 1 12 . 1 1 103 103 GLY N N 103 110.400 110.400 108.315 2.085 18818 6874 1 12 . 1 1 103 103 GLY C C 103 172.900 172.900 172.952 -0.052 18818 6875 1 12 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.789 0.211 18818 6876 1 12 . 1 1 103 103 GLY H H 103 8.400 8.400 7.616 0.784 18818 6877 1 13 . 1 1 5 5 ARG N N 5 124.100 124.100 123.094 1.006 18818 6878 1 13 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.359 -0.309 18818 6879 1 13 . 1 1 5 5 ARG C C 5 173.800 173.800 175.818 -2.018 18818 6880 1 13 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.815 0.186 18818 6881 1 13 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.673 0.027 18818 6882 1 13 . 1 1 5 5 ARG H H 5 8.570 8.570 8.745 -0.175 18818 6883 1 13 . 1 1 6 6 SER N N 6 117.500 117.500 115.873 1.627 18818 6884 1 13 . 1 1 6 6 SER HA H 6 4.510 4.510 4.583 -0.073 18818 6885 1 13 . 1 1 6 6 SER C C 6 174.100 174.100 175.576 -1.476 18818 6886 1 13 . 1 1 6 6 SER CA C 6 58.000 58.000 57.113 0.887 18818 6887 1 13 . 1 1 6 6 SER CB C 6 63.700 63.700 64.467 -0.767 18818 6888 1 13 . 1 1 6 6 SER H H 6 8.370 8.370 7.724 0.646 18818 6889 1 13 . 1 1 7 7 ALA N N 7 125.900 125.900 125.470 0.430 18818 6890 1 13 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.389 0.011 18818 6891 1 13 . 1 1 7 7 ALA C C 7 177.200 177.200 178.277 -1.077 18818 6892 1 13 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.647 -0.047 18818 6893 1 13 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.871 0.129 18818 6894 1 13 . 1 1 7 7 ALA H H 7 8.410 8.410 8.865 -0.455 18818 6895 1 13 . 1 1 8 8 ASN N N 8 117.400 117.400 117.790 -0.390 18818 6896 1 13 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.304 0.466 18818 6897 1 13 . 1 1 8 8 ASN C C 8 174.900 174.900 176.848 -1.948 18818 6898 1 13 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.970 -4.070 18818 6899 1 13 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.082 0.718 18818 6900 1 13 . 1 1 8 8 ASN H H 8 8.360 8.360 8.152 0.208 18818 6901 1 13 . 1 1 9 9 ALA N N 9 124.400 124.400 119.598 4.802 18818 6902 1 13 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.950 0.400 18818 6903 1 13 . 1 1 9 9 ALA C C 9 177.800 177.800 178.386 -0.586 18818 6904 1 13 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.883 -1.183 18818 6905 1 13 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.628 0.272 18818 6906 1 13 . 1 1 9 9 ALA H H 9 8.270 8.270 8.045 0.225 18818 6907 1 13 . 1 1 10 10 GLU N N 10 119.300 119.300 115.830 3.470 18818 6908 1 13 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.282 0.028 18818 6909 1 13 . 1 1 10 10 GLU C C 10 176.400 176.400 176.818 -0.418 18818 6910 1 13 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.472 -0.572 18818 6911 1 13 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.024 -0.424 18818 6912 1 13 . 1 1 10 10 GLU H H 10 8.470 8.470 7.541 0.929 18818 6913 1 13 . 1 1 11 11 ASP N N 11 120.600 120.600 118.297 2.303 18818 6914 1 13 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.708 -0.098 18818 6915 1 13 . 1 1 11 11 ASP C C 11 176.100 176.100 175.154 0.946 18818 6916 1 13 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.536 0.764 18818 6917 1 13 . 1 1 11 11 ASP CB C 11 40.800 40.800 42.735 -1.935 18818 6918 1 13 . 1 1 11 11 ASP H H 11 8.200 8.200 7.463 0.737 18818 6919 1 13 . 1 1 12 12 ALA N N 12 123.800 123.800 121.673 2.127 18818 6920 1 13 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.443 0.647 18818 6921 1 13 . 1 1 12 12 ALA C C 12 177.800 177.800 178.293 -0.493 18818 6922 1 13 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.125 -0.625 18818 6923 1 13 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.114 1.686 18818 6924 1 13 . 1 1 12 12 ALA H H 12 8.070 8.070 7.853 0.217 18818 6925 1 13 . 1 1 13 13 GLN N N 13 118.500 118.500 118.080 0.420 18818 6926 1 13 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.125 0.145 18818 6927 1 13 . 1 1 13 13 GLN C C 13 175.700 175.700 176.701 -1.001 18818 6928 1 13 . 1 1 13 13 GLN CA C 13 55.900 55.900 57.575 -1.675 18818 6929 1 13 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.259 -0.159 18818 6930 1 13 . 1 1 13 13 GLN H H 13 8.230 8.230 8.211 0.019 18818 6931 1 13 . 1 1 14 14 GLU N N 14 120.600 120.600 117.563 3.037 18818 6932 1 13 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.219 0.081 18818 6933 1 13 . 1 1 14 14 GLU C C 14 175.800 175.800 176.381 -0.581 18818 6934 1 13 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.400 -0.600 18818 6935 1 13 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.387 0.513 18818 6936 1 13 . 1 1 14 14 GLU H H 14 8.100 8.100 8.177 -0.077 18818 6937 1 13 . 1 1 15 15 PHE N N 15 121.100 121.100 118.339 2.761 18818 6938 1 13 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.715 0.165 18818 6939 1 13 . 1 1 15 15 PHE C C 15 176.900 176.900 177.092 -0.192 18818 6940 1 13 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.084 -0.784 18818 6941 1 13 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.064 0.236 18818 6942 1 13 . 1 1 15 15 PHE H H 15 8.030 8.030 7.248 0.782 18818 6943 1 13 . 1 1 16 16 SER N N 16 119.400 119.400 117.756 1.644 18818 6944 1 13 . 1 1 16 16 SER HA H 16 4.850 4.850 4.406 0.444 18818 6945 1 13 . 1 1 16 16 SER C C 16 174.800 174.800 175.703 -0.903 18818 6946 1 13 . 1 1 16 16 SER CA C 16 57.000 57.000 58.079 -1.079 18818 6947 1 13 . 1 1 16 16 SER CB C 16 65.600 65.600 64.643 0.957 18818 6948 1 13 . 1 1 16 16 SER H H 16 9.530 9.530 8.926 0.604 18818 6949 1 13 . 1 1 17 17 ASP N N 17 121.300 121.300 121.458 -0.158 18818 6950 1 13 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.507 0.043 18818 6951 1 13 . 1 1 17 17 ASP C C 17 179.700 179.700 178.005 1.695 18818 6952 1 13 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.328 0.672 18818 6953 1 13 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.386 -0.886 18818 6954 1 13 . 1 1 17 17 ASP H H 17 9.270 9.270 8.931 0.339 18818 6955 1 13 . 1 1 18 18 VAL N N 18 120.600 120.600 119.452 1.148 18818 6956 1 13 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.994 -0.314 18818 6957 1 13 . 1 1 18 18 VAL C C 18 176.900 176.900 176.747 0.153 18818 6958 1 13 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.325 2.175 18818 6959 1 13 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.223 -0.323 18818 6960 1 13 . 1 1 18 18 VAL H H 18 8.230 8.230 7.510 0.720 18818 6961 1 13 . 1 1 19 19 GLU N N 19 121.000 121.000 120.701 0.299 18818 6962 1 13 . 1 1 19 19 GLU HA H 19 3.740 3.740 3.983 -0.243 18818 6963 1 13 . 1 1 19 19 GLU C C 19 178.600 178.600 178.367 0.233 18818 6964 1 13 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.333 0.667 18818 6965 1 13 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.574 -0.874 18818 6966 1 13 . 1 1 19 19 GLU H H 19 8.180 8.180 7.873 0.307 18818 6967 1 13 . 1 1 20 20 ARG N N 20 118.100 118.100 119.769 -1.669 18818 6968 1 13 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.223 0.077 18818 6969 1 13 . 1 1 20 20 ARG C C 20 178.700 178.700 178.164 0.536 18818 6970 1 13 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.812 -0.712 18818 6971 1 13 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.280 -0.580 18818 6972 1 13 . 1 1 20 20 ARG H H 20 8.920 8.920 8.735 0.185 18818 6973 1 13 . 1 1 21 21 ALA N N 21 123.800 123.800 122.197 1.603 18818 6974 1 13 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.157 0.263 18818 6975 1 13 . 1 1 21 21 ALA C C 21 179.300 179.300 179.933 -0.633 18818 6976 1 13 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.938 0.262 18818 6977 1 13 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.210 -0.310 18818 6978 1 13 . 1 1 21 21 ALA H H 21 8.060 8.060 7.606 0.454 18818 6979 1 13 . 1 1 22 22 ILE N N 22 118.200 118.200 118.583 -0.383 18818 6980 1 13 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.706 0.014 18818 6981 1 13 . 1 1 22 22 ILE C C 22 177.500 177.500 178.270 -0.770 18818 6982 1 13 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.793 0.207 18818 6983 1 13 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.895 -0.495 18818 6984 1 13 . 1 1 22 22 ILE H H 22 8.010 8.010 7.673 0.337 18818 6985 1 13 . 1 1 23 23 GLU N N 23 120.100 120.100 119.070 1.030 18818 6986 1 13 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.047 -0.087 18818 6987 1 13 . 1 1 23 23 GLU C C 23 178.000 178.000 179.235 -1.235 18818 6988 1 13 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.682 0.618 18818 6989 1 13 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.426 0.074 18818 6990 1 13 . 1 1 23 23 GLU H H 23 8.450 8.450 7.777 0.673 18818 6991 1 13 . 1 1 24 24 THR N N 24 117.300 117.300 115.593 1.707 18818 6992 1 13 . 1 1 24 24 THR HA H 24 4.010 4.010 4.173 -0.163 18818 6993 1 13 . 1 1 24 24 THR C C 24 177.000 177.000 176.480 0.520 18818 6994 1 13 . 1 1 24 24 THR CA C 24 67.100 67.100 66.912 0.188 18818 6995 1 13 . 1 1 24 24 THR CB C 24 68.200 68.200 68.726 -0.526 18818 6996 1 13 . 1 1 24 24 THR H H 24 8.720 8.720 7.831 0.889 18818 6997 1 13 . 1 1 25 25 LEU N N 25 123.400 123.400 120.973 2.427 18818 6998 1 13 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.298 -0.018 18818 6999 1 13 . 1 1 25 25 LEU C C 25 178.200 178.200 178.836 -0.636 18818 7000 1 13 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.407 1.893 18818 7001 1 13 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.600 0.100 18818 7002 1 13 . 1 1 25 25 LEU H H 25 8.150 8.150 7.539 0.611 18818 7003 1 13 . 1 1 26 26 ILE N N 26 119.500 119.500 119.994 -0.494 18818 7004 1 13 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.737 0.263 18818 7005 1 13 . 1 1 26 26 ILE C C 26 177.900 177.900 178.512 -0.612 18818 7006 1 13 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.398 -0.298 18818 7007 1 13 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.695 0.605 18818 7008 1 13 . 1 1 26 26 ILE H H 26 8.510 8.510 8.119 0.391 18818 7009 1 13 . 1 1 27 27 LYS N N 27 120.500 120.500 118.083 2.417 18818 7010 1 13 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.750 0.400 18818 7011 1 13 . 1 1 27 27 LYS C C 27 179.600 179.600 178.819 0.781 18818 7012 1 13 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.706 1.393 18818 7013 1 13 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.488 0.512 18818 7014 1 13 . 1 1 27 27 LYS H H 27 9.000 9.000 8.308 0.692 18818 7015 1 13 . 1 1 28 28 ASN N N 28 117.300 117.300 116.349 0.951 18818 7016 1 13 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.702 -0.142 18818 7017 1 13 . 1 1 28 28 ASN C C 28 176.000 176.000 176.642 -0.642 18818 7018 1 13 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.522 2.178 18818 7019 1 13 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.373 1.927 18818 7020 1 13 . 1 1 28 28 ASN H H 28 7.990 7.990 7.514 0.476 18818 7021 1 13 . 1 1 29 29 PHE N N 29 119.100 119.100 120.833 -1.733 18818 7022 1 13 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.687 0.223 18818 7023 1 13 . 1 1 29 29 PHE C C 29 176.200 176.200 177.305 -1.105 18818 7024 1 13 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.005 0.195 18818 7025 1 13 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.934 -0.335 18818 7026 1 13 . 1 1 29 29 PHE H H 29 7.990 7.990 7.911 0.079 18818 7027 1 13 . 1 1 30 30 HIS N N 30 114.700 114.700 118.725 -4.025 18818 7028 1 13 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.559 -0.239 18818 7029 1 13 . 1 1 30 30 HIS C C 30 177.400 177.400 178.073 -0.673 18818 7030 1 13 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.752 -0.252 18818 7031 1 13 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.974 -0.374 18818 7032 1 13 . 1 1 30 30 HIS H H 30 8.180 8.180 7.972 0.208 18818 7033 1 13 . 1 1 31 31 GLN N N 31 118.500 118.500 116.622 1.878 18818 7034 1 13 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.204 -0.124 18818 7035 1 13 . 1 1 31 31 GLN C C 31 176.600 176.600 176.926 -0.326 18818 7036 1 13 . 1 1 31 31 GLN CA C 31 57.800 57.800 56.800 1.000 18818 7037 1 13 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.576 -0.176 18818 7038 1 13 . 1 1 31 31 GLN H H 31 8.280 8.280 8.227 0.053 18818 7039 1 13 . 1 1 32 32 TYR N N 32 115.700 115.700 116.815 -1.115 18818 7040 1 13 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.539 -0.329 18818 7041 1 13 . 1 1 32 32 TYR C C 32 174.800 174.800 174.956 -0.156 18818 7042 1 13 . 1 1 32 32 TYR CA C 32 59.700 59.700 57.964 1.736 18818 7043 1 13 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.381 -1.681 18818 7044 1 13 . 1 1 32 32 TYR H H 32 7.410 7.410 7.506 -0.096 18818 7045 1 13 . 1 1 33 33 SER N N 33 114.000 114.000 114.703 -0.703 18818 7046 1 13 . 1 1 33 33 SER HA H 33 4.530 4.530 4.759 -0.229 18818 7047 1 13 . 1 1 33 33 SER C C 33 175.000 175.000 175.324 -0.324 18818 7048 1 13 . 1 1 33 33 SER CA C 33 57.200 57.200 57.546 -0.346 18818 7049 1 13 . 1 1 33 33 SER CB C 33 63.200 63.200 63.632 -0.432 18818 7050 1 13 . 1 1 33 33 SER H H 33 7.260 7.260 7.546 -0.286 18818 7051 1 13 . 1 1 34 34 VAL N N 34 126.600 126.600 120.022 6.578 18818 7052 1 13 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.873 0.137 18818 7053 1 13 . 1 1 34 34 VAL C C 34 177.800 177.800 177.056 0.744 18818 7054 1 13 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.829 -0.429 18818 7055 1 13 . 1 1 34 34 VAL CB C 34 32.100 32.100 30.718 1.383 18818 7056 1 13 . 1 1 34 34 VAL H H 34 8.490 8.490 7.749 0.741 18818 7057 1 13 . 1 1 35 35 GLU N N 35 122.100 122.100 121.773 0.327 18818 7058 1 13 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.246 0.004 18818 7059 1 13 . 1 1 35 35 GLU C C 35 177.800 177.800 178.701 -0.901 18818 7060 1 13 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.930 -0.430 18818 7061 1 13 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.487 0.313 18818 7062 1 13 . 1 1 35 35 GLU H H 35 8.980 8.980 8.618 0.362 18818 7063 1 13 . 1 1 36 36 GLY N N 36 108.500 108.500 105.880 2.620 18818 7064 1 13 . 1 1 36 36 GLY C C 36 175.000 175.000 174.964 0.036 18818 7065 1 13 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.013 0.287 18818 7066 1 13 . 1 1 36 36 GLY H H 36 8.490 8.490 8.505 -0.015 18818 7067 1 13 . 1 1 37 37 GLY N N 37 108.700 108.700 107.281 1.419 18818 7068 1 13 . 1 1 37 37 GLY C C 37 174.100 174.100 174.736 -0.636 18818 7069 1 13 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.485 0.315 18818 7070 1 13 . 1 1 37 37 GLY H H 37 8.140 8.140 7.280 0.860 18818 7071 1 13 . 1 1 38 38 LYS N N 38 118.000 118.000 115.125 2.875 18818 7072 1 13 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.906 0.564 18818 7073 1 13 . 1 1 38 38 LYS C C 38 176.000 176.000 176.890 -0.890 18818 7074 1 13 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.942 -1.842 18818 7075 1 13 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.269 1.431 18818 7076 1 13 . 1 1 38 38 LYS H H 38 8.050 8.050 8.500 -0.450 18818 7077 1 13 . 1 1 39 39 GLU N N 39 118.100 118.100 116.390 1.710 18818 7078 1 13 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.343 0.217 18818 7079 1 13 . 1 1 39 39 GLU C C 39 175.600 175.600 176.552 -0.952 18818 7080 1 13 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.923 -1.123 18818 7081 1 13 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.831 -0.631 18818 7082 1 13 . 1 1 39 39 GLU H H 39 8.630 8.630 8.096 0.534 18818 7083 1 13 . 1 1 40 40 THR N N 40 108.100 108.100 109.728 -1.628 18818 7084 1 13 . 1 1 40 40 THR HA H 40 5.160 5.160 4.779 0.381 18818 7085 1 13 . 1 1 40 40 THR C C 40 173.400 173.400 173.152 0.248 18818 7086 1 13 . 1 1 40 40 THR CA C 40 59.300 59.300 60.045 -0.745 18818 7087 1 13 . 1 1 40 40 THR CB C 40 72.100 72.100 71.143 0.957 18818 7088 1 13 . 1 1 40 40 THR H H 40 7.490 7.490 8.047 -0.557 18818 7089 1 13 . 1 1 41 41 LEU N N 41 120.700 120.700 121.074 -0.374 18818 7090 1 13 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.673 0.367 18818 7091 1 13 . 1 1 41 41 LEU C C 41 177.000 177.000 175.876 1.124 18818 7092 1 13 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.014 0.286 18818 7093 1 13 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.976 -0.676 18818 7094 1 13 . 1 1 41 41 LEU H H 41 8.660 8.660 8.440 0.220 18818 7095 1 13 . 1 1 42 42 THR N N 42 113.500 113.500 111.557 1.943 18818 7096 1 13 . 1 1 42 42 THR HA H 42 5.000 5.000 4.906 0.094 18818 7097 1 13 . 1 1 42 42 THR C C 42 174.100 174.100 173.500 0.600 18818 7098 1 13 . 1 1 42 42 THR CA C 42 59.800 59.800 58.902 0.898 18818 7099 1 13 . 1 1 42 42 THR CB C 42 68.100 68.100 69.661 -1.561 18818 7100 1 13 . 1 1 42 42 THR H H 42 9.130 9.130 8.151 0.979 18818 7101 1 13 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.213 -0.063 18818 7102 1 13 . 1 1 43 43 PRO C C 43 178.600 178.600 178.501 0.099 18818 7103 1 13 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.868 0.332 18818 7104 1 13 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.286 0.414 18818 7105 1 13 . 1 1 44 44 SER N N 44 111.600 111.600 111.044 0.556 18818 7106 1 13 . 1 1 44 44 SER HA H 44 4.170 4.170 4.289 -0.119 18818 7107 1 13 . 1 1 44 44 SER C C 44 176.200 176.200 175.821 0.379 18818 7108 1 13 . 1 1 44 44 SER CA C 44 61.500 61.500 61.332 0.168 18818 7109 1 13 . 1 1 44 44 SER CB C 44 62.200 62.200 62.438 -0.238 18818 7110 1 13 . 1 1 44 44 SER H H 44 8.090 8.090 8.715 -0.625 18818 7111 1 13 . 1 1 45 45 GLU N N 45 123.900 123.900 120.925 2.975 18818 7112 1 13 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.424 -0.164 18818 7113 1 13 . 1 1 45 45 GLU C C 45 179.000 179.000 178.420 0.580 18818 7114 1 13 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.617 1.483 18818 7115 1 13 . 1 1 45 45 GLU CB C 45 29.700 29.700 30.015 -0.315 18818 7116 1 13 . 1 1 45 45 GLU H H 45 7.700 7.700 7.584 0.116 18818 7117 1 13 . 1 1 46 46 LEU N N 46 118.900 118.900 123.645 -4.745 18818 7118 1 13 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.029 0.051 18818 7119 1 13 . 1 1 46 46 LEU C C 46 177.600 177.600 178.370 -0.770 18818 7120 1 13 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.112 -0.812 18818 7121 1 13 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.692 -0.792 18818 7122 1 13 . 1 1 46 46 LEU H H 46 8.400 8.400 8.589 -0.189 18818 7123 1 13 . 1 1 47 47 ARG N N 47 119.300 119.300 116.044 3.256 18818 7124 1 13 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.006 -0.236 18818 7125 1 13 . 1 1 47 47 ARG C C 47 178.900 178.900 178.353 0.547 18818 7126 1 13 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.855 1.145 18818 7127 1 13 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.525 -0.525 18818 7128 1 13 . 1 1 47 47 ARG H H 47 8.260 8.260 8.406 -0.146 18818 7129 1 13 . 1 1 48 48 ASP N N 48 122.300 122.300 120.864 1.436 18818 7130 1 13 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.528 -0.098 18818 7131 1 13 . 1 1 48 48 ASP C C 48 176.700 176.700 177.963 -1.263 18818 7132 1 13 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.285 0.215 18818 7133 1 13 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.357 -1.957 18818 7134 1 13 . 1 1 48 48 ASP H H 48 8.160 8.160 7.787 0.373 18818 7135 1 13 . 1 1 49 49 LEU N N 49 122.600 122.600 118.908 3.692 18818 7136 1 13 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.887 -0.717 18818 7137 1 13 . 1 1 49 49 LEU C C 49 179.100 179.100 178.265 0.835 18818 7138 1 13 . 1 1 49 49 LEU CA C 49 59.000 59.000 58.016 0.984 18818 7139 1 13 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.260 0.040 18818 7140 1 13 . 1 1 49 49 LEU H H 49 7.980 7.980 8.195 -0.215 18818 7141 1 13 . 1 1 50 50 VAL N N 50 118.200 118.200 119.147 -0.947 18818 7142 1 13 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.618 -0.068 18818 7143 1 13 . 1 1 50 50 VAL C C 50 178.800 178.800 178.221 0.579 18818 7144 1 13 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.945 -0.545 18818 7145 1 13 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.555 0.945 18818 7146 1 13 . 1 1 50 50 VAL H H 50 8.390 8.390 8.440 -0.050 18818 7147 1 13 . 1 1 51 51 THR N N 51 115.000 115.000 113.619 1.381 18818 7148 1 13 . 1 1 51 51 THR HA H 51 3.990 3.990 4.118 -0.128 18818 7149 1 13 . 1 1 51 51 THR C C 51 176.000 176.000 176.195 -0.195 18818 7150 1 13 . 1 1 51 51 THR CA C 51 65.800 65.800 64.753 1.047 18818 7151 1 13 . 1 1 51 51 THR CB C 51 68.900 68.900 68.776 0.124 18818 7152 1 13 . 1 1 51 51 THR H H 51 8.480 8.480 7.773 0.707 18818 7153 1 13 . 1 1 52 52 GLN N N 52 116.400 116.400 118.160 -1.760 18818 7154 1 13 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.384 -0.134 18818 7155 1 13 . 1 1 52 52 GLN C C 52 178.300 178.300 177.030 1.270 18818 7156 1 13 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.583 0.217 18818 7157 1 13 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.587 -1.087 18818 7158 1 13 . 1 1 52 52 GLN H H 52 8.180 8.180 7.692 0.488 18818 7159 1 13 . 1 1 53 53 GLN N N 53 112.100 112.100 116.154 -4.054 18818 7160 1 13 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.525 0.325 18818 7161 1 13 . 1 1 53 53 GLN C C 53 176.900 176.900 176.589 0.311 18818 7162 1 13 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.385 -1.385 18818 7163 1 13 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.098 -2.698 18818 7164 1 13 . 1 1 53 53 GLN H H 53 8.490 8.490 8.120 0.370 18818 7165 1 13 . 1 1 54 54 LEU N N 54 119.800 119.800 120.274 -0.474 18818 7166 1 13 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.903 0.347 18818 7167 1 13 . 1 1 54 54 LEU C C 54 176.900 176.900 174.726 2.174 18818 7168 1 13 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.555 1.345 18818 7169 1 13 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.318 -0.218 18818 7170 1 13 . 1 1 54 54 LEU H H 54 7.920 7.920 7.960 -0.040 18818 7171 1 13 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.279 0.191 18818 7172 1 13 . 1 1 55 55 PRO C C 55 178.300 178.300 177.247 1.053 18818 7173 1 13 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.892 0.408 18818 7174 1 13 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.423 -0.723 18818 7175 1 13 . 1 1 56 56 HIS N N 56 116.500 116.500 117.248 -0.748 18818 7176 1 13 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.542 0.048 18818 7177 1 13 . 1 1 56 56 HIS C C 56 176.300 176.300 176.515 -0.215 18818 7178 1 13 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.386 0.414 18818 7179 1 13 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.689 -1.389 18818 7180 1 13 . 1 1 56 56 HIS H H 56 9.770 9.770 7.768 2.002 18818 7181 1 13 . 1 1 57 57 LEU N N 57 116.600 116.600 118.927 -2.327 18818 7182 1 13 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.208 0.122 18818 7183 1 13 . 1 1 57 57 LEU C C 57 176.400 176.400 176.743 -0.343 18818 7184 1 13 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.317 -0.917 18818 7185 1 13 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.228 0.272 18818 7186 1 13 . 1 1 57 57 LEU H H 57 7.830 7.830 8.062 -0.232 18818 7187 1 13 . 1 1 58 58 MET N N 58 118.000 118.000 116.658 1.342 18818 7188 1 13 . 1 1 58 58 MET HA H 58 4.540 4.540 4.818 -0.278 18818 7189 1 13 . 1 1 58 58 MET C C 58 171.600 171.600 173.139 -1.539 18818 7190 1 13 . 1 1 58 58 MET CA C 58 53.500 53.500 51.997 1.503 18818 7191 1 13 . 1 1 58 58 MET CB C 58 32.700 32.700 32.340 0.360 18818 7192 1 13 . 1 1 58 58 MET H H 58 7.970 7.970 7.902 0.068 18818 7193 1 13 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.470 -0.020 18818 7194 1 13 . 1 1 59 59 PRO C C 59 177.400 177.400 177.931 -0.531 18818 7195 1 13 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.414 0.685 18818 7196 1 13 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.616 -0.716 18818 7197 1 13 . 1 1 60 60 SER N N 60 114.900 114.900 116.910 -2.010 18818 7198 1 13 . 1 1 60 60 SER HA H 60 4.340 4.340 4.024 0.316 18818 7199 1 13 . 1 1 60 60 SER C C 60 174.700 174.700 176.408 -1.708 18818 7200 1 13 . 1 1 60 60 SER CA C 60 59.100 59.100 61.901 -2.801 18818 7201 1 13 . 1 1 60 60 SER CB C 60 63.200 63.200 62.990 0.210 18818 7202 1 13 . 1 1 60 60 SER H H 60 8.360 8.360 9.001 -0.641 18818 7203 1 13 . 1 1 61 61 ASN N N 61 120.800 120.800 119.618 1.182 18818 7204 1 13 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.492 0.318 18818 7205 1 13 . 1 1 61 61 ASN C C 61 175.500 175.500 176.473 -0.973 18818 7206 1 13 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.666 -2.666 18818 7207 1 13 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.184 -0.284 18818 7208 1 13 . 1 1 61 61 ASN H H 61 7.990 7.990 8.306 -0.316 18818 7209 1 13 . 1 1 62 62 CYS N N 62 117.800 117.800 116.318 1.482 18818 7210 1 13 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.338 0.252 18818 7211 1 13 . 1 1 62 62 CYS C C 62 175.300 175.300 175.508 -0.208 18818 7212 1 13 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.273 -1.073 18818 7213 1 13 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.255 -0.855 18818 7214 1 13 . 1 1 62 62 CYS H H 62 8.260 8.260 7.794 0.466 18818 7215 1 13 . 1 1 63 63 GLY N N 63 111.300 111.300 110.215 1.085 18818 7216 1 13 . 1 1 63 63 GLY C C 63 175.600 175.600 175.501 0.099 18818 7217 1 13 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.440 0.860 18818 7218 1 13 . 1 1 63 63 GLY H H 63 8.520 8.520 8.178 0.342 18818 7219 1 13 . 1 1 64 64 LEU N N 64 122.400 122.400 119.511 2.889 18818 7220 1 13 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.163 -0.113 18818 7221 1 13 . 1 1 64 64 LEU C C 64 177.900 177.900 177.908 -0.008 18818 7222 1 13 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.297 1.303 18818 7223 1 13 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.090 0.910 18818 7224 1 13 . 1 1 64 64 LEU H H 64 7.910 7.910 7.923 -0.013 18818 7225 1 13 . 1 1 65 65 GLU N N 65 117.900 117.900 120.457 -2.557 18818 7226 1 13 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.824 0.086 18818 7227 1 13 . 1 1 65 65 GLU C C 65 179.100 179.100 178.078 1.022 18818 7228 1 13 . 1 1 65 65 GLU CA C 65 60.000 60.000 59.012 0.988 18818 7229 1 13 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.181 0.218 18818 7230 1 13 . 1 1 65 65 GLU H H 65 8.660 8.660 8.176 0.484 18818 7231 1 13 . 1 1 66 66 GLU N N 66 120.000 120.000 120.241 -0.241 18818 7232 1 13 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.034 0.086 18818 7233 1 13 . 1 1 66 66 GLU C C 66 178.200 178.200 178.698 -0.498 18818 7234 1 13 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.926 0.174 18818 7235 1 13 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.519 -0.419 18818 7236 1 13 . 1 1 66 66 GLU H H 66 8.220 8.220 8.063 0.157 18818 7237 1 13 . 1 1 67 67 LYS N N 67 119.300 119.300 117.679 1.621 18818 7238 1 13 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.113 0.027 18818 7239 1 13 . 1 1 67 67 LYS C C 67 179.400 179.400 178.875 0.525 18818 7240 1 13 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.970 0.930 18818 7241 1 13 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.997 0.103 18818 7242 1 13 . 1 1 67 67 LYS H H 67 7.780 7.780 7.856 -0.076 18818 7243 1 13 . 1 1 68 68 ILE N N 68 118.400 118.400 120.012 -1.612 18818 7244 1 13 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.774 -0.054 18818 7245 1 13 . 1 1 68 68 ILE C C 68 177.800 177.800 177.532 0.268 18818 7246 1 13 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.754 -0.254 18818 7247 1 13 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.594 -0.294 18818 7248 1 13 . 1 1 68 68 ILE H H 68 8.230 8.230 7.242 0.988 18818 7249 1 13 . 1 1 69 69 ALA N N 69 122.900 122.900 121.153 1.747 18818 7250 1 13 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.066 0.154 18818 7251 1 13 . 1 1 69 69 ALA C C 69 179.600 179.600 178.779 0.821 18818 7252 1 13 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.776 -0.376 18818 7253 1 13 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.166 -0.266 18818 7254 1 13 . 1 1 69 69 ALA H H 69 8.070 8.070 8.052 0.018 18818 7255 1 13 . 1 1 70 70 ASN N N 70 115.400 115.400 115.662 -0.262 18818 7256 1 13 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.653 0.217 18818 7257 1 13 . 1 1 70 70 ASN C C 70 176.500 176.500 177.154 -0.654 18818 7258 1 13 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.872 -0.572 18818 7259 1 13 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.396 -0.696 18818 7260 1 13 . 1 1 70 70 ASN H H 70 7.880 7.880 7.725 0.155 18818 7261 1 13 . 1 1 71 71 LEU N N 71 120.600 120.600 117.385 3.215 18818 7262 1 13 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.339 -0.009 18818 7263 1 13 . 1 1 71 71 LEU C C 71 178.300 178.300 177.929 0.371 18818 7264 1 13 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.452 0.848 18818 7265 1 13 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.331 -0.031 18818 7266 1 13 . 1 1 71 71 LEU H H 71 7.820 7.820 7.658 0.162 18818 7267 1 13 . 1 1 72 72 GLY N N 72 106.800 106.800 108.003 -1.203 18818 7268 1 13 . 1 1 72 72 GLY C C 72 174.400 174.400 173.863 0.537 18818 7269 1 13 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.903 0.797 18818 7270 1 13 . 1 1 72 72 GLY H H 72 8.240 8.240 7.890 0.350 18818 7271 1 13 . 1 1 73 73 SER N N 73 115.600 115.600 116.114 -0.514 18818 7272 1 13 . 1 1 73 73 SER HA H 73 4.570 4.570 4.938 -0.368 18818 7273 1 13 . 1 1 73 73 SER C C 73 175.000 175.000 175.544 -0.544 18818 7274 1 13 . 1 1 73 73 SER CA C 73 58.900 58.900 59.099 -0.199 18818 7275 1 13 . 1 1 73 73 SER CB C 73 63.600 63.600 64.399 -0.799 18818 7276 1 13 . 1 1 73 73 SER H H 73 8.220 8.220 8.446 -0.226 18818 7277 1 13 . 1 1 74 74 CYS N N 74 119.300 119.300 119.589 -0.289 18818 7278 1 13 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.329 0.321 18818 7279 1 13 . 1 1 74 74 CYS C C 74 174.500 174.500 174.695 -0.195 18818 7280 1 13 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.197 -0.497 18818 7281 1 13 . 1 1 74 74 CYS CB C 74 27.700 27.700 26.711 0.989 18818 7282 1 13 . 1 1 74 74 CYS H H 74 8.260 8.260 8.102 0.158 18818 7283 1 13 . 1 1 75 75 ASN N N 75 120.000 120.000 119.396 0.604 18818 7284 1 13 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.788 0.052 18818 7285 1 13 . 1 1 75 75 ASN C C 75 174.700 174.700 175.375 -0.675 18818 7286 1 13 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.824 -0.024 18818 7287 1 13 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.367 -0.467 18818 7288 1 13 . 1 1 75 75 ASN H H 75 8.430 8.430 7.666 0.764 18818 7289 1 13 . 1 1 76 76 ASP N N 76 119.200 119.200 120.263 -1.063 18818 7290 1 13 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.512 0.158 18818 7291 1 13 . 1 1 76 76 ASP C C 76 175.500 175.500 176.534 -1.034 18818 7292 1 13 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.926 -1.526 18818 7293 1 13 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.941 -0.341 18818 7294 1 13 . 1 1 76 76 ASP H H 76 8.300 8.300 8.670 -0.370 18818 7295 1 13 . 1 1 77 77 SER N N 77 112.800 112.800 113.572 -0.772 18818 7296 1 13 . 1 1 77 77 SER HA H 77 4.260 4.260 4.651 -0.391 18818 7297 1 13 . 1 1 77 77 SER C C 77 173.300 173.300 174.336 -1.036 18818 7298 1 13 . 1 1 77 77 SER CA C 77 59.000 59.000 58.077 0.923 18818 7299 1 13 . 1 1 77 77 SER CB C 77 63.100 63.100 63.777 -0.677 18818 7300 1 13 . 1 1 77 77 SER H H 77 8.220 8.220 7.864 0.356 18818 7301 1 13 . 1 1 78 78 LYS N N 78 120.600 120.600 118.802 1.798 18818 7302 1 13 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.142 0.418 18818 7303 1 13 . 1 1 78 78 LYS C C 78 175.300 175.300 176.180 -0.880 18818 7304 1 13 . 1 1 78 78 LYS CA C 78 55.600 55.600 59.583 -3.983 18818 7305 1 13 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.382 1.918 18818 7306 1 13 . 1 1 78 78 LYS H H 78 7.930 7.930 8.263 -0.333 18818 7307 1 13 . 1 1 79 79 LEU N N 79 123.700 123.700 117.100 6.600 18818 7308 1 13 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.577 0.203 18818 7309 1 13 . 1 1 79 79 LEU C C 79 176.100 176.100 176.305 -0.205 18818 7310 1 13 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.803 0.397 18818 7311 1 13 . 1 1 79 79 LEU CB C 79 42.000 42.000 45.493 -3.493 18818 7312 1 13 . 1 1 79 79 LEU H H 79 9.020 9.020 7.881 1.139 18818 7313 1 13 . 1 1 80 80 GLU N N 80 121.200 121.200 117.874 3.326 18818 7314 1 13 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.661 0.239 18818 7315 1 13 . 1 1 80 80 GLU C C 80 177.100 177.100 177.697 -0.597 18818 7316 1 13 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.405 0.795 18818 7317 1 13 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.781 -1.181 18818 7318 1 13 . 1 1 80 80 GLU H H 80 8.630 8.630 8.398 0.232 18818 7319 1 13 . 1 1 81 81 PHE N N 81 123.500 123.500 123.922 -0.422 18818 7320 1 13 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.915 -0.385 18818 7321 1 13 . 1 1 81 81 PHE C C 81 177.000 177.000 177.057 -0.057 18818 7322 1 13 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.456 0.843 18818 7323 1 13 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.185 -0.685 18818 7324 1 13 . 1 1 81 81 PHE H H 81 9.360 9.360 9.222 0.138 18818 7325 1 13 . 1 1 82 82 ARG N N 82 116.500 116.500 119.087 -2.587 18818 7326 1 13 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.129 -0.089 18818 7327 1 13 . 1 1 82 82 ARG C C 82 178.000 178.000 178.240 -0.240 18818 7328 1 13 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.804 0.396 18818 7329 1 13 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.789 -0.589 18818 7330 1 13 . 1 1 82 82 ARG H H 82 8.940 8.940 9.225 -0.285 18818 7331 1 13 . 1 1 83 83 SER N N 83 115.700 115.700 114.685 1.015 18818 7332 1 13 . 1 1 83 83 SER HA H 83 4.510 4.510 4.295 0.215 18818 7333 1 13 . 1 1 83 83 SER C C 83 175.800 175.800 176.809 -1.009 18818 7334 1 13 . 1 1 83 83 SER CA C 83 61.700 61.700 61.882 -0.182 18818 7335 1 13 . 1 1 83 83 SER CB C 83 62.700 62.700 62.988 -0.288 18818 7336 1 13 . 1 1 83 83 SER H H 83 7.610 7.610 7.775 -0.165 18818 7337 1 13 . 1 1 84 84 PHE N N 84 122.200 122.200 122.771 -0.571 18818 7338 1 13 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.354 -0.134 18818 7339 1 13 . 1 1 84 84 PHE C C 84 175.000 175.000 176.369 -1.369 18818 7340 1 13 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.076 -1.076 18818 7341 1 13 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.560 -0.360 18818 7342 1 13 . 1 1 84 84 PHE H H 84 7.490 7.490 7.822 -0.332 18818 7343 1 13 . 1 1 85 85 TRP N N 85 120.700 120.700 120.739 -0.039 18818 7344 1 13 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.289 -0.529 18818 7345 1 13 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.634 -0.834 18818 7346 1 13 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.847 -0.647 18818 7347 1 13 . 1 1 85 85 TRP H H 85 8.770 8.770 7.703 1.067 18818 7348 1 13 . 1 1 86 86 GLU N N 86 119.100 119.100 117.229 1.871 18818 7349 1 13 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.958 0.122 18818 7350 1 13 . 1 1 86 86 GLU C C 86 179.100 179.100 178.959 0.141 18818 7351 1 13 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.423 -0.123 18818 7352 1 13 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.171 0.329 18818 7353 1 13 . 1 1 86 86 GLU H H 86 8.150 8.150 8.512 -0.362 18818 7354 1 13 . 1 1 87 87 LEU N N 87 120.800 120.800 120.605 0.195 18818 7355 1 13 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.051 -0.001 18818 7356 1 13 . 1 1 87 87 LEU C C 87 178.900 178.900 178.348 0.552 18818 7357 1 13 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.461 0.439 18818 7358 1 13 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.108 -0.808 18818 7359 1 13 . 1 1 87 87 LEU H H 87 7.600 7.600 7.475 0.125 18818 7360 1 13 . 1 1 88 88 ILE N N 88 115.200 115.200 119.641 -4.441 18818 7361 1 13 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.458 0.122 18818 7362 1 13 . 1 1 88 88 ILE C C 88 177.300 177.300 177.596 -0.296 18818 7363 1 13 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.246 -2.246 18818 7364 1 13 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.882 -1.282 18818 7365 1 13 . 1 1 88 88 ILE H H 88 7.960 7.960 7.318 0.642 18818 7366 1 13 . 1 1 89 89 GLY N N 89 108.100 108.100 107.366 0.734 18818 7367 1 13 . 1 1 89 89 GLY C C 89 175.700 175.700 175.331 0.369 18818 7368 1 13 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.963 -1.563 18818 7369 1 13 . 1 1 89 89 GLY H H 89 7.620 7.620 8.159 -0.539 18818 7370 1 13 . 1 1 90 90 GLU N N 90 120.000 120.000 121.085 -1.085 18818 7371 1 13 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.108 -0.148 18818 7372 1 13 . 1 1 90 90 GLU C C 90 179.100 179.100 178.198 0.902 18818 7373 1 13 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.876 0.325 18818 7374 1 13 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.423 -0.623 18818 7375 1 13 . 1 1 90 90 GLU H H 90 7.410 7.410 7.421 -0.011 18818 7376 1 13 . 1 1 91 91 ALA N N 91 122.400 122.400 122.007 0.393 18818 7377 1 13 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.976 0.044 18818 7378 1 13 . 1 1 91 91 ALA C C 91 178.700 178.700 179.752 -1.052 18818 7379 1 13 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.734 -0.734 18818 7380 1 13 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.325 -0.325 18818 7381 1 13 . 1 1 91 91 ALA H H 91 7.610 7.610 7.805 -0.195 18818 7382 1 13 . 1 1 92 92 ALA N N 92 118.000 118.000 120.130 -2.130 18818 7383 1 13 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.225 -0.555 18818 7384 1 13 . 1 1 92 92 ALA C C 92 177.900 177.900 179.604 -1.704 18818 7385 1 13 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.474 -0.574 18818 7386 1 13 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.514 -0.614 18818 7387 1 13 . 1 1 92 92 ALA H H 92 7.740 7.740 8.131 -0.391 18818 7388 1 13 . 1 1 93 93 LYS N N 93 114.600 114.600 118.516 -3.916 18818 7389 1 13 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.119 -0.349 18818 7390 1 13 . 1 1 93 93 LYS C C 93 177.000 177.000 177.117 -0.117 18818 7391 1 13 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.252 -0.752 18818 7392 1 13 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.210 -0.410 18818 7393 1 13 . 1 1 93 93 LYS H H 93 7.200 7.200 7.594 -0.394 18818 7394 1 13 . 1 1 94 94 SER N N 94 113.000 113.000 113.187 -0.187 18818 7395 1 13 . 1 1 94 94 SER HA H 94 4.450 4.450 4.481 -0.031 18818 7396 1 13 . 1 1 94 94 SER C C 94 174.500 174.500 173.637 0.863 18818 7397 1 13 . 1 1 94 94 SER CA C 94 58.800 58.800 59.320 -0.520 18818 7398 1 13 . 1 1 94 94 SER CB C 94 63.900 63.900 64.782 -0.882 18818 7399 1 13 . 1 1 94 94 SER H H 94 7.530 7.530 7.779 -0.249 18818 7400 1 13 . 1 1 95 95 VAL N N 95 122.100 122.100 121.014 1.086 18818 7401 1 13 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.289 -0.349 18818 7402 1 13 . 1 1 95 95 VAL C C 95 175.400 175.400 173.228 2.172 18818 7403 1 13 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.043 1.157 18818 7404 1 13 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.560 -1.060 18818 7405 1 13 . 1 1 95 95 VAL H H 95 7.440 7.440 7.592 -0.152 18818 7406 1 13 . 1 1 96 96 LYS N N 96 126.300 126.300 127.366 -1.066 18818 7407 1 13 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.559 -0.159 18818 7408 1 13 . 1 1 96 96 LYS C C 96 176.000 176.000 175.674 0.326 18818 7409 1 13 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.850 0.650 18818 7410 1 13 . 1 1 96 96 LYS CB C 96 32.500 32.500 32.656 -0.156 18818 7411 1 13 . 1 1 96 96 LYS H H 96 8.470 8.470 8.066 0.404 18818 7412 1 13 . 1 1 97 97 LEU N N 97 123.400 123.400 119.335 4.065 18818 7413 1 13 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.184 0.226 18818 7414 1 13 . 1 1 97 97 LEU C C 97 176.700 176.700 177.093 -0.393 18818 7415 1 13 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.615 -1.215 18818 7416 1 13 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.648 -0.348 18818 7417 1 13 . 1 1 97 97 LEU H H 97 8.140 8.140 8.027 0.113 18818 7418 1 13 . 1 1 98 98 GLU N N 98 121.400 121.400 119.688 1.712 18818 7419 1 13 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.140 0.200 18818 7420 1 13 . 1 1 98 98 GLU C C 98 175.900 175.900 176.929 -1.029 18818 7421 1 13 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.844 -1.644 18818 7422 1 13 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.787 0.313 18818 7423 1 13 . 1 1 98 98 GLU H H 98 8.320 8.320 8.646 -0.326 18818 7424 1 13 . 1 1 99 99 ARG N N 99 122.800 122.800 119.885 2.915 18818 7425 1 13 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.729 0.081 18818 7426 1 13 . 1 1 99 99 ARG C C 99 173.900 173.900 174.014 -0.114 18818 7427 1 13 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.229 0.371 18818 7428 1 13 . 1 1 99 99 ARG CB C 99 29.900 29.900 31.232 -1.331 18818 7429 1 13 . 1 1 99 99 ARG H H 99 8.280 8.280 7.834 0.446 18818 7430 1 13 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.523 -0.003 18818 7431 1 13 . 1 1 100 100 PRO C C 100 176.700 176.700 175.661 1.039 18818 7432 1 13 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.995 -0.195 18818 7433 1 13 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.446 0.254 18818 7434 1 13 . 1 1 101 101 VAL N N 101 120.500 120.500 124.036 -3.536 18818 7435 1 13 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.404 -0.274 18818 7436 1 13 . 1 1 101 101 VAL C C 101 176.000 176.000 175.424 0.576 18818 7437 1 13 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.849 0.251 18818 7438 1 13 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.237 -1.037 18818 7439 1 13 . 1 1 101 101 VAL H H 101 8.230 8.230 8.275 -0.045 18818 7440 1 13 . 1 1 102 102 ARG N N 102 124.600 124.600 128.403 -3.803 18818 7441 1 13 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.473 -0.053 18818 7442 1 13 . 1 1 102 102 ARG C C 102 176.400 176.400 175.583 0.817 18818 7443 1 13 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.334 -0.434 18818 7444 1 13 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.891 -0.191 18818 7445 1 13 . 1 1 102 102 ARG H H 102 8.390 8.390 8.831 -0.441 18818 7446 1 13 . 1 1 103 103 GLY N N 103 110.400 110.400 108.682 1.718 18818 7447 1 13 . 1 1 103 103 GLY C C 103 172.900 172.900 173.690 -0.790 18818 7448 1 13 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.953 0.047 18818 7449 1 13 . 1 1 103 103 GLY H H 103 8.400 8.400 8.239 0.161 18818 7450 1 14 . 1 1 5 5 ARG N N 5 124.100 124.100 120.860 3.240 18818 7451 1 14 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.282 -0.232 18818 7452 1 14 . 1 1 5 5 ARG C C 5 173.800 173.800 175.284 -1.484 18818 7453 1 14 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.330 -0.330 18818 7454 1 14 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.014 0.686 18818 7455 1 14 . 1 1 5 5 ARG H H 5 8.570 8.570 8.155 0.415 18818 7456 1 14 . 1 1 6 6 SER N N 6 117.500 117.500 112.968 4.532 18818 7457 1 14 . 1 1 6 6 SER HA H 6 4.510 4.510 4.240 0.270 18818 7458 1 14 . 1 1 6 6 SER C C 6 174.100 174.100 173.432 0.668 18818 7459 1 14 . 1 1 6 6 SER CA C 6 58.000 58.000 59.403 -1.403 18818 7460 1 14 . 1 1 6 6 SER CB C 6 63.700 63.700 62.894 0.806 18818 7461 1 14 . 1 1 6 6 SER H H 6 8.370 8.370 7.729 0.641 18818 7462 1 14 . 1 1 7 7 ALA N N 7 125.900 125.900 125.710 0.190 18818 7463 1 14 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.392 0.008 18818 7464 1 14 . 1 1 7 7 ALA C C 7 177.200 177.200 178.377 -1.177 18818 7465 1 14 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.624 -0.024 18818 7466 1 14 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.640 -0.640 18818 7467 1 14 . 1 1 7 7 ALA H H 7 8.410 8.410 8.689 -0.279 18818 7468 1 14 . 1 1 8 8 ASN N N 8 117.400 117.400 117.611 -0.211 18818 7469 1 14 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.641 0.129 18818 7470 1 14 . 1 1 8 8 ASN C C 8 174.900 174.900 174.908 -0.008 18818 7471 1 14 . 1 1 8 8 ASN CA C 8 52.900 52.900 54.278 -1.378 18818 7472 1 14 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.579 0.221 18818 7473 1 14 . 1 1 8 8 ASN H H 8 8.360 8.360 8.678 -0.318 18818 7474 1 14 . 1 1 9 9 ALA N N 9 124.400 124.400 122.662 1.738 18818 7475 1 14 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.672 -0.322 18818 7476 1 14 . 1 1 9 9 ALA C C 9 177.800 177.800 177.178 0.622 18818 7477 1 14 . 1 1 9 9 ALA CA C 9 52.700 52.700 51.277 1.423 18818 7478 1 14 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.934 -0.034 18818 7479 1 14 . 1 1 9 9 ALA H H 9 8.270 8.270 8.165 0.105 18818 7480 1 14 . 1 1 10 10 GLU N N 10 119.300 119.300 120.948 -1.648 18818 7481 1 14 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.010 0.300 18818 7482 1 14 . 1 1 10 10 GLU C C 10 176.400 176.400 177.372 -0.972 18818 7483 1 14 . 1 1 10 10 GLU CA C 10 56.900 56.900 59.230 -2.330 18818 7484 1 14 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.865 -0.265 18818 7485 1 14 . 1 1 10 10 GLU H H 10 8.470 8.470 8.551 -0.081 18818 7486 1 14 . 1 1 11 11 ASP N N 11 120.600 120.600 115.514 5.086 18818 7487 1 14 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.595 0.015 18818 7488 1 14 . 1 1 11 11 ASP C C 11 176.100 176.100 174.623 1.477 18818 7489 1 14 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.034 0.266 18818 7490 1 14 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.888 -1.088 18818 7491 1 14 . 1 1 11 11 ASP H H 11 8.200 8.200 8.159 0.041 18818 7492 1 14 . 1 1 12 12 ALA N N 12 123.800 123.800 120.740 3.060 18818 7493 1 14 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.087 1.003 18818 7494 1 14 . 1 1 12 12 ALA C C 12 177.800 177.800 176.373 1.427 18818 7495 1 14 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.593 -0.093 18818 7496 1 14 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.527 1.273 18818 7497 1 14 . 1 1 12 12 ALA H H 12 8.070 8.070 7.676 0.394 18818 7498 1 14 . 1 1 13 13 GLN N N 13 118.500 118.500 117.702 0.798 18818 7499 1 14 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.298 -0.028 18818 7500 1 14 . 1 1 13 13 GLN C C 13 175.700 175.700 176.240 -0.540 18818 7501 1 14 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.694 -0.794 18818 7502 1 14 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.343 -0.243 18818 7503 1 14 . 1 1 13 13 GLN H H 13 8.230 8.230 8.221 0.009 18818 7504 1 14 . 1 1 14 14 GLU N N 14 120.600 120.600 118.446 2.154 18818 7505 1 14 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.414 -0.114 18818 7506 1 14 . 1 1 14 14 GLU C C 14 175.800 175.800 176.454 -0.654 18818 7507 1 14 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.442 -0.642 18818 7508 1 14 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.030 -0.130 18818 7509 1 14 . 1 1 14 14 GLU H H 14 8.100 8.100 8.257 -0.157 18818 7510 1 14 . 1 1 15 15 PHE N N 15 121.100 121.100 119.280 1.820 18818 7511 1 14 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.711 0.169 18818 7512 1 14 . 1 1 15 15 PHE C C 15 176.900 176.900 177.028 -0.128 18818 7513 1 14 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.476 -0.176 18818 7514 1 14 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.328 -0.028 18818 7515 1 14 . 1 1 15 15 PHE H H 15 8.030 8.030 7.758 0.272 18818 7516 1 14 . 1 1 16 16 SER N N 16 119.400 119.400 117.002 2.398 18818 7517 1 14 . 1 1 16 16 SER HA H 16 4.850 4.850 4.426 0.424 18818 7518 1 14 . 1 1 16 16 SER C C 16 174.800 174.800 175.657 -0.857 18818 7519 1 14 . 1 1 16 16 SER CA C 16 57.000 57.000 58.555 -1.555 18818 7520 1 14 . 1 1 16 16 SER CB C 16 65.600 65.600 64.458 1.142 18818 7521 1 14 . 1 1 16 16 SER H H 16 9.530 9.530 8.432 1.098 18818 7522 1 14 . 1 1 17 17 ASP N N 17 121.300 121.300 121.180 0.120 18818 7523 1 14 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.426 0.124 18818 7524 1 14 . 1 1 17 17 ASP C C 17 179.700 179.700 178.186 1.514 18818 7525 1 14 . 1 1 17 17 ASP CA C 17 58.000 58.000 58.227 -0.227 18818 7526 1 14 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.598 -1.098 18818 7527 1 14 . 1 1 17 17 ASP H H 17 9.270 9.270 8.854 0.416 18818 7528 1 14 . 1 1 18 18 VAL N N 18 120.600 120.600 119.554 1.046 18818 7529 1 14 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.893 -0.213 18818 7530 1 14 . 1 1 18 18 VAL C C 18 176.900 176.900 177.029 -0.129 18818 7531 1 14 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.355 1.145 18818 7532 1 14 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.746 0.154 18818 7533 1 14 . 1 1 18 18 VAL H H 18 8.230 8.230 7.691 0.539 18818 7534 1 14 . 1 1 19 19 GLU N N 19 121.000 121.000 119.754 1.246 18818 7535 1 14 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.100 -0.360 18818 7536 1 14 . 1 1 19 19 GLU C C 19 178.600 178.600 179.052 -0.452 18818 7537 1 14 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.679 0.321 18818 7538 1 14 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.697 -0.997 18818 7539 1 14 . 1 1 19 19 GLU H H 19 8.180 8.180 7.923 0.257 18818 7540 1 14 . 1 1 20 20 ARG N N 20 118.100 118.100 117.470 0.630 18818 7541 1 14 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.505 -0.205 18818 7542 1 14 . 1 1 20 20 ARG C C 20 178.700 178.700 178.134 0.566 18818 7543 1 14 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.410 0.689 18818 7544 1 14 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.972 -0.272 18818 7545 1 14 . 1 1 20 20 ARG H H 20 8.920 8.920 8.562 0.358 18818 7546 1 14 . 1 1 21 21 ALA N N 21 123.800 123.800 124.484 -0.684 18818 7547 1 14 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.172 0.248 18818 7548 1 14 . 1 1 21 21 ALA C C 21 179.300 179.300 179.645 -0.345 18818 7549 1 14 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.033 0.167 18818 7550 1 14 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.242 -0.342 18818 7551 1 14 . 1 1 21 21 ALA H H 21 8.060 8.060 7.694 0.366 18818 7552 1 14 . 1 1 22 22 ILE N N 22 118.200 118.200 118.510 -0.310 18818 7553 1 14 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.783 -0.063 18818 7554 1 14 . 1 1 22 22 ILE C C 22 177.500 177.500 178.203 -0.703 18818 7555 1 14 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.762 0.238 18818 7556 1 14 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.686 -0.286 18818 7557 1 14 . 1 1 22 22 ILE H H 22 8.010 8.010 7.726 0.284 18818 7558 1 14 . 1 1 23 23 GLU N N 23 120.100 120.100 120.173 -0.073 18818 7559 1 14 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.122 -0.162 18818 7560 1 14 . 1 1 23 23 GLU C C 23 178.000 178.000 179.173 -1.173 18818 7561 1 14 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.070 0.230 18818 7562 1 14 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.418 0.083 18818 7563 1 14 . 1 1 23 23 GLU H H 23 8.450 8.450 7.892 0.558 18818 7564 1 14 . 1 1 24 24 THR N N 24 117.300 117.300 115.758 1.542 18818 7565 1 14 . 1 1 24 24 THR HA H 24 4.010 4.010 4.151 -0.141 18818 7566 1 14 . 1 1 24 24 THR C C 24 177.000 177.000 176.970 0.030 18818 7567 1 14 . 1 1 24 24 THR CA C 24 67.100 67.100 66.231 0.869 18818 7568 1 14 . 1 1 24 24 THR CB C 24 68.200 68.200 68.749 -0.549 18818 7569 1 14 . 1 1 24 24 THR H H 24 8.720 8.720 8.147 0.573 18818 7570 1 14 . 1 1 25 25 LEU N N 25 123.400 123.400 121.219 2.181 18818 7571 1 14 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.314 -0.034 18818 7572 1 14 . 1 1 25 25 LEU C C 25 178.200 178.200 178.745 -0.545 18818 7573 1 14 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.421 1.879 18818 7574 1 14 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.655 0.045 18818 7575 1 14 . 1 1 25 25 LEU H H 25 8.150 8.150 7.497 0.653 18818 7576 1 14 . 1 1 26 26 ILE N N 26 119.500 119.500 120.075 -0.575 18818 7577 1 14 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.830 0.170 18818 7578 1 14 . 1 1 26 26 ILE C C 26 177.900 177.900 179.021 -1.121 18818 7579 1 14 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.693 0.407 18818 7580 1 14 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.830 0.470 18818 7581 1 14 . 1 1 26 26 ILE H H 26 8.510 8.510 8.356 0.154 18818 7582 1 14 . 1 1 27 27 LYS N N 27 120.500 120.500 119.131 1.369 18818 7583 1 14 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.119 0.031 18818 7584 1 14 . 1 1 27 27 LYS C C 27 179.600 179.600 179.081 0.519 18818 7585 1 14 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.824 0.276 18818 7586 1 14 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.737 0.263 18818 7587 1 14 . 1 1 27 27 LYS H H 27 9.000 9.000 8.772 0.228 18818 7588 1 14 . 1 1 28 28 ASN N N 28 117.300 117.300 116.907 0.393 18818 7589 1 14 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.744 -0.184 18818 7590 1 14 . 1 1 28 28 ASN C C 28 176.000 176.000 177.573 -1.573 18818 7591 1 14 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.920 1.780 18818 7592 1 14 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.677 1.623 18818 7593 1 14 . 1 1 28 28 ASN H H 28 7.990 7.990 7.773 0.217 18818 7594 1 14 . 1 1 29 29 PHE N N 29 119.100 119.100 121.513 -2.413 18818 7595 1 14 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.554 0.356 18818 7596 1 14 . 1 1 29 29 PHE C C 29 176.200 176.200 176.909 -0.709 18818 7597 1 14 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.850 -0.650 18818 7598 1 14 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.544 0.056 18818 7599 1 14 . 1 1 29 29 PHE H H 29 7.990 7.990 7.738 0.252 18818 7600 1 14 . 1 1 30 30 HIS N N 30 114.700 114.700 115.039 -0.339 18818 7601 1 14 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.365 -0.045 18818 7602 1 14 . 1 1 30 30 HIS C C 30 177.400 177.400 177.418 -0.018 18818 7603 1 14 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.453 -0.953 18818 7604 1 14 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.590 0.010 18818 7605 1 14 . 1 1 30 30 HIS H H 30 8.180 8.180 7.931 0.249 18818 7606 1 14 . 1 1 31 31 GLN N N 31 118.500 118.500 118.522 -0.022 18818 7607 1 14 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.076 0.004 18818 7608 1 14 . 1 1 31 31 GLN C C 31 176.600 176.600 177.144 -0.544 18818 7609 1 14 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.387 -0.587 18818 7610 1 14 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.965 -0.566 18818 7611 1 14 . 1 1 31 31 GLN H H 31 8.280 8.280 8.392 -0.112 18818 7612 1 14 . 1 1 32 32 TYR N N 32 115.700 115.700 117.360 -1.660 18818 7613 1 14 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.453 -0.243 18818 7614 1 14 . 1 1 32 32 TYR C C 32 174.800 174.800 176.911 -2.111 18818 7615 1 14 . 1 1 32 32 TYR CA C 32 59.700 59.700 60.158 -0.458 18818 7616 1 14 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.319 -0.619 18818 7617 1 14 . 1 1 32 32 TYR H H 32 7.410 7.410 7.727 -0.317 18818 7618 1 14 . 1 1 33 33 SER N N 33 114.000 114.000 117.561 -3.561 18818 7619 1 14 . 1 1 33 33 SER HA H 33 4.530 4.530 4.466 0.064 18818 7620 1 14 . 1 1 33 33 SER C C 33 175.000 175.000 174.336 0.664 18818 7621 1 14 . 1 1 33 33 SER CA C 33 57.200 57.200 58.930 -1.730 18818 7622 1 14 . 1 1 33 33 SER CB C 33 63.200 63.200 61.115 2.085 18818 7623 1 14 . 1 1 33 33 SER H H 33 7.260 7.260 7.959 -0.699 18818 7624 1 14 . 1 1 34 34 VAL N N 34 126.600 126.600 119.597 7.003 18818 7625 1 14 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.979 0.031 18818 7626 1 14 . 1 1 34 34 VAL C C 34 177.800 177.800 176.924 0.876 18818 7627 1 14 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.072 0.328 18818 7628 1 14 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.424 0.676 18818 7629 1 14 . 1 1 34 34 VAL H H 34 8.490 8.490 7.900 0.590 18818 7630 1 14 . 1 1 35 35 GLU N N 35 122.100 122.100 121.700 0.400 18818 7631 1 14 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.364 -0.114 18818 7632 1 14 . 1 1 35 35 GLU C C 35 177.800 177.800 178.183 -0.383 18818 7633 1 14 . 1 1 35 35 GLU CA C 35 57.500 57.500 58.238 -0.738 18818 7634 1 14 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.731 0.069 18818 7635 1 14 . 1 1 35 35 GLU H H 35 8.980 8.980 8.396 0.584 18818 7636 1 14 . 1 1 36 36 GLY N N 36 108.500 108.500 106.776 1.724 18818 7637 1 14 . 1 1 36 36 GLY C C 36 175.000 175.000 174.468 0.532 18818 7638 1 14 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.305 0.995 18818 7639 1 14 . 1 1 36 36 GLY H H 36 8.490 8.490 8.152 0.338 18818 7640 1 14 . 1 1 37 37 GLY N N 37 108.700 108.700 107.430 1.270 18818 7641 1 14 . 1 1 37 37 GLY C C 37 174.100 174.100 174.837 -0.737 18818 7642 1 14 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.709 0.091 18818 7643 1 14 . 1 1 37 37 GLY H H 37 8.140 8.140 7.770 0.370 18818 7644 1 14 . 1 1 38 38 LYS N N 38 118.000 118.000 113.017 4.983 18818 7645 1 14 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.824 0.646 18818 7646 1 14 . 1 1 38 38 LYS C C 38 176.000 176.000 176.406 -0.406 18818 7647 1 14 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.173 -2.073 18818 7648 1 14 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.127 2.574 18818 7649 1 14 . 1 1 38 38 LYS H H 38 8.050 8.050 8.401 -0.351 18818 7650 1 14 . 1 1 39 39 GLU N N 39 118.100 118.100 116.124 1.976 18818 7651 1 14 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.722 -0.162 18818 7652 1 14 . 1 1 39 39 GLU C C 39 175.600 175.600 175.716 -0.116 18818 7653 1 14 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.111 -0.311 18818 7654 1 14 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.053 -1.853 18818 7655 1 14 . 1 1 39 39 GLU H H 39 8.630 8.630 8.034 0.596 18818 7656 1 14 . 1 1 40 40 THR N N 40 108.100 108.100 109.976 -1.876 18818 7657 1 14 . 1 1 40 40 THR HA H 40 5.160 5.160 5.277 -0.117 18818 7658 1 14 . 1 1 40 40 THR C C 40 173.400 173.400 172.884 0.516 18818 7659 1 14 . 1 1 40 40 THR CA C 40 59.300 59.300 59.952 -0.652 18818 7660 1 14 . 1 1 40 40 THR CB C 40 72.100 72.100 72.168 -0.068 18818 7661 1 14 . 1 1 40 40 THR H H 40 7.490 7.490 7.800 -0.310 18818 7662 1 14 . 1 1 41 41 LEU N N 41 120.700 120.700 126.180 -5.480 18818 7663 1 14 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.574 0.466 18818 7664 1 14 . 1 1 41 41 LEU C C 41 177.000 177.000 175.423 1.577 18818 7665 1 14 . 1 1 41 41 LEU CA C 41 53.300 53.300 52.895 0.405 18818 7666 1 14 . 1 1 41 41 LEU CB C 41 45.300 45.300 42.860 2.440 18818 7667 1 14 . 1 1 41 41 LEU H H 41 8.660 8.660 8.390 0.270 18818 7668 1 14 . 1 1 42 42 THR N N 42 113.500 113.500 119.375 -5.875 18818 7669 1 14 . 1 1 42 42 THR HA H 42 5.000 5.000 4.844 0.156 18818 7670 1 14 . 1 1 42 42 THR C C 42 174.100 174.100 173.852 0.248 18818 7671 1 14 . 1 1 42 42 THR CA C 42 59.800 59.800 58.951 0.849 18818 7672 1 14 . 1 1 42 42 THR CB C 42 68.100 68.100 69.841 -1.741 18818 7673 1 14 . 1 1 42 42 THR H H 42 9.130 9.130 8.247 0.883 18818 7674 1 14 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.122 0.028 18818 7675 1 14 . 1 1 43 43 PRO C C 43 178.600 178.600 178.490 0.110 18818 7676 1 14 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.009 0.191 18818 7677 1 14 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.692 0.008 18818 7678 1 14 . 1 1 44 44 SER N N 44 111.600 111.600 112.632 -1.032 18818 7679 1 14 . 1 1 44 44 SER HA H 44 4.170 4.170 4.196 -0.026 18818 7680 1 14 . 1 1 44 44 SER C C 44 176.200 176.200 176.238 -0.038 18818 7681 1 14 . 1 1 44 44 SER CA C 44 61.500 61.500 61.920 -0.420 18818 7682 1 14 . 1 1 44 44 SER CB C 44 62.200 62.200 63.087 -0.887 18818 7683 1 14 . 1 1 44 44 SER H H 44 8.090 8.090 7.947 0.143 18818 7684 1 14 . 1 1 45 45 GLU N N 45 123.900 123.900 121.153 2.747 18818 7685 1 14 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.229 0.031 18818 7686 1 14 . 1 1 45 45 GLU C C 45 179.000 179.000 178.529 0.471 18818 7687 1 14 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.316 0.784 18818 7688 1 14 . 1 1 45 45 GLU CB C 45 29.700 29.700 28.990 0.710 18818 7689 1 14 . 1 1 45 45 GLU H H 45 7.700 7.700 8.127 -0.427 18818 7690 1 14 . 1 1 46 46 LEU N N 46 118.900 118.900 122.644 -3.744 18818 7691 1 14 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.961 0.119 18818 7692 1 14 . 1 1 46 46 LEU C C 46 177.600 177.600 178.895 -1.295 18818 7693 1 14 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.197 -0.897 18818 7694 1 14 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.946 -1.046 18818 7695 1 14 . 1 1 46 46 LEU H H 46 8.400 8.400 8.396 0.004 18818 7696 1 14 . 1 1 47 47 ARG N N 47 119.300 119.300 117.899 1.401 18818 7697 1 14 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.907 -0.137 18818 7698 1 14 . 1 1 47 47 ARG C C 47 178.900 178.900 178.588 0.312 18818 7699 1 14 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.875 0.125 18818 7700 1 14 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.959 -0.959 18818 7701 1 14 . 1 1 47 47 ARG H H 47 8.260 8.260 8.260 -0.000 18818 7702 1 14 . 1 1 48 48 ASP N N 48 122.300 122.300 120.142 2.158 18818 7703 1 14 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.502 -0.072 18818 7704 1 14 . 1 1 48 48 ASP C C 48 176.700 176.700 178.550 -1.850 18818 7705 1 14 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.668 -0.168 18818 7706 1 14 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.175 -1.775 18818 7707 1 14 . 1 1 48 48 ASP H H 48 8.160 8.160 7.832 0.328 18818 7708 1 14 . 1 1 49 49 LEU N N 49 122.600 122.600 118.235 4.365 18818 7709 1 14 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.852 -0.682 18818 7710 1 14 . 1 1 49 49 LEU C C 49 179.100 179.100 178.322 0.778 18818 7711 1 14 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.331 1.669 18818 7712 1 14 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.213 0.087 18818 7713 1 14 . 1 1 49 49 LEU H H 49 7.980 7.980 8.097 -0.117 18818 7714 1 14 . 1 1 50 50 VAL N N 50 118.200 118.200 120.598 -2.398 18818 7715 1 14 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.668 -0.118 18818 7716 1 14 . 1 1 50 50 VAL C C 50 178.800 178.800 178.309 0.491 18818 7717 1 14 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.910 -0.510 18818 7718 1 14 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.846 0.654 18818 7719 1 14 . 1 1 50 50 VAL H H 50 8.390 8.390 7.728 0.662 18818 7720 1 14 . 1 1 51 51 THR N N 51 115.000 115.000 113.716 1.284 18818 7721 1 14 . 1 1 51 51 THR HA H 51 3.990 3.990 4.117 -0.127 18818 7722 1 14 . 1 1 51 51 THR C C 51 176.000 176.000 176.001 -0.001 18818 7723 1 14 . 1 1 51 51 THR CA C 51 65.800 65.800 64.910 0.890 18818 7724 1 14 . 1 1 51 51 THR CB C 51 68.900 68.900 68.586 0.314 18818 7725 1 14 . 1 1 51 51 THR H H 51 8.480 8.480 7.609 0.871 18818 7726 1 14 . 1 1 52 52 GLN N N 52 116.400 116.400 118.734 -2.334 18818 7727 1 14 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.293 -0.043 18818 7728 1 14 . 1 1 52 52 GLN C C 52 178.300 178.300 177.690 0.610 18818 7729 1 14 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.750 0.050 18818 7730 1 14 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.653 -1.153 18818 7731 1 14 . 1 1 52 52 GLN H H 52 8.180 8.180 7.575 0.605 18818 7732 1 14 . 1 1 53 53 GLN N N 53 112.100 112.100 115.117 -3.017 18818 7733 1 14 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.491 0.359 18818 7734 1 14 . 1 1 53 53 GLN C C 53 176.900 176.900 176.401 0.499 18818 7735 1 14 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.153 -1.153 18818 7736 1 14 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.016 -2.616 18818 7737 1 14 . 1 1 53 53 GLN H H 53 8.490 8.490 8.001 0.489 18818 7738 1 14 . 1 1 54 54 LEU N N 54 119.800 119.800 120.982 -1.182 18818 7739 1 14 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.886 0.364 18818 7740 1 14 . 1 1 54 54 LEU C C 54 176.900 176.900 174.973 1.927 18818 7741 1 14 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.403 1.497 18818 7742 1 14 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.717 0.383 18818 7743 1 14 . 1 1 54 54 LEU H H 54 7.920 7.920 7.882 0.038 18818 7744 1 14 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.259 0.211 18818 7745 1 14 . 1 1 55 55 PRO C C 55 178.300 178.300 177.428 0.872 18818 7746 1 14 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.650 0.650 18818 7747 1 14 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.770 -1.070 18818 7748 1 14 . 1 1 56 56 HIS N N 56 116.500 116.500 116.237 0.263 18818 7749 1 14 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.545 0.045 18818 7750 1 14 . 1 1 56 56 HIS C C 56 176.300 176.300 176.112 0.188 18818 7751 1 14 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.721 0.079 18818 7752 1 14 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.532 -1.232 18818 7753 1 14 . 1 1 56 56 HIS H H 56 9.770 9.770 8.164 1.606 18818 7754 1 14 . 1 1 57 57 LEU N N 57 116.600 116.600 119.689 -3.089 18818 7755 1 14 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.422 -0.092 18818 7756 1 14 . 1 1 57 57 LEU C C 57 176.400 176.400 176.083 0.317 18818 7757 1 14 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.688 -0.288 18818 7758 1 14 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.985 -0.485 18818 7759 1 14 . 1 1 57 57 LEU H H 57 7.830 7.830 7.551 0.279 18818 7760 1 14 . 1 1 58 58 MET N N 58 118.000 118.000 119.235 -1.235 18818 7761 1 14 . 1 1 58 58 MET HA H 58 4.540 4.540 4.809 -0.269 18818 7762 1 14 . 1 1 58 58 MET C C 58 171.600 171.600 173.748 -2.148 18818 7763 1 14 . 1 1 58 58 MET CA C 58 53.500 53.500 52.700 0.800 18818 7764 1 14 . 1 1 58 58 MET CB C 58 32.700 32.700 33.756 -1.056 18818 7765 1 14 . 1 1 58 58 MET H H 58 7.970 7.970 7.577 0.393 18818 7766 1 14 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.487 -0.037 18818 7767 1 14 . 1 1 59 59 PRO C C 59 177.400 177.400 176.360 1.040 18818 7768 1 14 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.260 0.840 18818 7769 1 14 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.636 -0.736 18818 7770 1 14 . 1 1 60 60 SER N N 60 114.900 114.900 117.176 -2.276 18818 7771 1 14 . 1 1 60 60 SER HA H 60 4.340 4.340 4.332 0.008 18818 7772 1 14 . 1 1 60 60 SER C C 60 174.700 174.700 176.125 -1.425 18818 7773 1 14 . 1 1 60 60 SER CA C 60 59.100 59.100 59.032 0.068 18818 7774 1 14 . 1 1 60 60 SER CB C 60 63.200 63.200 64.000 -0.800 18818 7775 1 14 . 1 1 60 60 SER H H 60 8.360 8.360 8.536 -0.176 18818 7776 1 14 . 1 1 61 61 ASN N N 61 120.800 120.800 118.732 2.068 18818 7777 1 14 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.441 0.369 18818 7778 1 14 . 1 1 61 61 ASN C C 61 175.500 175.500 174.361 1.139 18818 7779 1 14 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.282 -2.282 18818 7780 1 14 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.276 0.624 18818 7781 1 14 . 1 1 61 61 ASN H H 61 7.990 7.990 9.059 -1.069 18818 7782 1 14 . 1 1 62 62 CYS N N 62 117.800 117.800 116.772 1.028 18818 7783 1 14 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.656 -0.066 18818 7784 1 14 . 1 1 62 62 CYS C C 62 175.300 175.300 175.632 -0.332 18818 7785 1 14 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.234 -0.034 18818 7786 1 14 . 1 1 62 62 CYS CB C 62 27.400 27.400 30.307 -2.907 18818 7787 1 14 . 1 1 62 62 CYS H H 62 8.260 8.260 7.906 0.354 18818 7788 1 14 . 1 1 63 63 GLY N N 63 111.300 111.300 108.736 2.564 18818 7789 1 14 . 1 1 63 63 GLY C C 63 175.600 175.600 175.297 0.303 18818 7790 1 14 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.538 -1.238 18818 7791 1 14 . 1 1 63 63 GLY H H 63 8.520 8.520 8.572 -0.052 18818 7792 1 14 . 1 1 64 64 LEU N N 64 122.400 122.400 117.781 4.619 18818 7793 1 14 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.616 -0.566 18818 7794 1 14 . 1 1 64 64 LEU C C 64 177.900 177.900 177.982 -0.082 18818 7795 1 14 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.257 1.343 18818 7796 1 14 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.708 0.292 18818 7797 1 14 . 1 1 64 64 LEU H H 64 7.910 7.910 7.480 0.430 18818 7798 1 14 . 1 1 65 65 GLU N N 65 117.900 117.900 119.385 -1.485 18818 7799 1 14 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.110 -0.200 18818 7800 1 14 . 1 1 65 65 GLU C C 65 179.100 179.100 178.147 0.953 18818 7801 1 14 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.369 1.631 18818 7802 1 14 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.504 -1.104 18818 7803 1 14 . 1 1 65 65 GLU H H 65 8.660 8.660 7.634 1.026 18818 7804 1 14 . 1 1 66 66 GLU N N 66 120.000 120.000 119.700 0.300 18818 7805 1 14 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.014 0.106 18818 7806 1 14 . 1 1 66 66 GLU C C 66 178.200 178.200 178.582 -0.382 18818 7807 1 14 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.288 -0.188 18818 7808 1 14 . 1 1 66 66 GLU CB C 66 29.100 29.100 28.957 0.143 18818 7809 1 14 . 1 1 66 66 GLU H H 66 8.220 8.220 8.046 0.174 18818 7810 1 14 . 1 1 67 67 LYS N N 67 119.300 119.300 119.004 0.296 18818 7811 1 14 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.105 0.035 18818 7812 1 14 . 1 1 67 67 LYS C C 67 179.400 179.400 178.670 0.730 18818 7813 1 14 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.375 0.525 18818 7814 1 14 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.483 0.617 18818 7815 1 14 . 1 1 67 67 LYS H H 67 7.780 7.780 8.218 -0.438 18818 7816 1 14 . 1 1 68 68 ILE N N 68 118.400 118.400 119.388 -0.988 18818 7817 1 14 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.757 -0.037 18818 7818 1 14 . 1 1 68 68 ILE C C 68 177.800 177.800 176.898 0.902 18818 7819 1 14 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.243 0.257 18818 7820 1 14 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.715 -0.415 18818 7821 1 14 . 1 1 68 68 ILE H H 68 8.230 8.230 7.373 0.857 18818 7822 1 14 . 1 1 69 69 ALA N N 69 122.900 122.900 120.074 2.826 18818 7823 1 14 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.159 0.061 18818 7824 1 14 . 1 1 69 69 ALA C C 69 179.600 179.600 180.170 -0.570 18818 7825 1 14 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.687 -0.287 18818 7826 1 14 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.741 -0.841 18818 7827 1 14 . 1 1 69 69 ALA H H 69 8.070 8.070 7.886 0.184 18818 7828 1 14 . 1 1 70 70 ASN N N 70 115.400 115.400 118.536 -3.136 18818 7829 1 14 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.582 0.288 18818 7830 1 14 . 1 1 70 70 ASN C C 70 176.500 176.500 177.958 -1.458 18818 7831 1 14 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.271 -0.971 18818 7832 1 14 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.434 0.265 18818 7833 1 14 . 1 1 70 70 ASN H H 70 7.880 7.880 8.124 -0.244 18818 7834 1 14 . 1 1 71 71 LEU N N 71 120.600 120.600 116.967 3.633 18818 7835 1 14 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.290 0.040 18818 7836 1 14 . 1 1 71 71 LEU C C 71 178.300 178.300 177.737 0.563 18818 7837 1 14 . 1 1 71 71 LEU CA C 71 56.300 56.300 56.888 -0.588 18818 7838 1 14 . 1 1 71 71 LEU CB C 71 42.300 42.300 40.601 1.699 18818 7839 1 14 . 1 1 71 71 LEU H H 71 7.820 7.820 7.987 -0.167 18818 7840 1 14 . 1 1 72 72 GLY N N 72 106.800 106.800 104.740 2.060 18818 7841 1 14 . 1 1 72 72 GLY C C 72 174.400 174.400 175.154 -0.754 18818 7842 1 14 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.739 0.961 18818 7843 1 14 . 1 1 72 72 GLY H H 72 8.240 8.240 7.603 0.637 18818 7844 1 14 . 1 1 73 73 SER N N 73 115.600 115.600 116.634 -1.034 18818 7845 1 14 . 1 1 73 73 SER HA H 73 4.570 4.570 4.268 0.302 18818 7846 1 14 . 1 1 73 73 SER C C 73 175.000 175.000 175.688 -0.688 18818 7847 1 14 . 1 1 73 73 SER CA C 73 58.900 58.900 60.958 -2.058 18818 7848 1 14 . 1 1 73 73 SER CB C 73 63.600 63.600 63.427 0.173 18818 7849 1 14 . 1 1 73 73 SER H H 73 8.220 8.220 7.814 0.406 18818 7850 1 14 . 1 1 74 74 CYS N N 74 119.300 119.300 117.908 1.392 18818 7851 1 14 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.645 0.005 18818 7852 1 14 . 1 1 74 74 CYS C C 74 174.500 174.500 174.467 0.033 18818 7853 1 14 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.753 -0.053 18818 7854 1 14 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.946 -1.246 18818 7855 1 14 . 1 1 74 74 CYS H H 74 8.260 8.260 8.208 0.052 18818 7856 1 14 . 1 1 75 75 ASN N N 75 120.000 120.000 119.716 0.284 18818 7857 1 14 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.870 -0.030 18818 7858 1 14 . 1 1 75 75 ASN C C 75 174.700 174.700 173.904 0.796 18818 7859 1 14 . 1 1 75 75 ASN CA C 75 53.800 53.800 52.765 1.035 18818 7860 1 14 . 1 1 75 75 ASN CB C 75 38.900 38.900 41.169 -2.269 18818 7861 1 14 . 1 1 75 75 ASN H H 75 8.430 8.430 7.992 0.438 18818 7862 1 14 . 1 1 76 76 ASP N N 76 119.200 119.200 121.361 -2.161 18818 7863 1 14 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.784 -0.114 18818 7864 1 14 . 1 1 76 76 ASP C C 76 175.500 175.500 176.271 -0.771 18818 7865 1 14 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.873 -0.473 18818 7866 1 14 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.842 -1.242 18818 7867 1 14 . 1 1 76 76 ASP H H 76 8.300 8.300 8.709 -0.409 18818 7868 1 14 . 1 1 77 77 SER N N 77 112.800 112.800 116.033 -3.233 18818 7869 1 14 . 1 1 77 77 SER HA H 77 4.260 4.260 4.681 -0.421 18818 7870 1 14 . 1 1 77 77 SER C C 77 173.300 173.300 174.529 -1.229 18818 7871 1 14 . 1 1 77 77 SER CA C 77 59.000 59.000 57.807 1.193 18818 7872 1 14 . 1 1 77 77 SER CB C 77 63.100 63.100 63.648 -0.548 18818 7873 1 14 . 1 1 77 77 SER H H 77 8.220 8.220 8.034 0.186 18818 7874 1 14 . 1 1 78 78 LYS N N 78 120.600 120.600 118.310 2.290 18818 7875 1 14 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.001 0.559 18818 7876 1 14 . 1 1 78 78 LYS C C 78 175.300 175.300 176.210 -0.910 18818 7877 1 14 . 1 1 78 78 LYS CA C 78 55.600 55.600 56.971 -1.371 18818 7878 1 14 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.484 1.816 18818 7879 1 14 . 1 1 78 78 LYS H H 78 7.930 7.930 7.585 0.345 18818 7880 1 14 . 1 1 79 79 LEU N N 79 123.700 123.700 122.670 1.030 18818 7881 1 14 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.418 0.362 18818 7882 1 14 . 1 1 79 79 LEU C C 79 176.100 176.100 177.392 -1.292 18818 7883 1 14 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.874 -0.674 18818 7884 1 14 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.312 -0.312 18818 7885 1 14 . 1 1 79 79 LEU H H 79 9.020 9.020 8.169 0.851 18818 7886 1 14 . 1 1 80 80 GLU N N 80 121.200 121.200 123.070 -1.870 18818 7887 1 14 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.383 0.517 18818 7888 1 14 . 1 1 80 80 GLU C C 80 177.100 177.100 178.163 -1.063 18818 7889 1 14 . 1 1 80 80 GLU CA C 80 55.200 55.200 57.208 -2.008 18818 7890 1 14 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.352 1.248 18818 7891 1 14 . 1 1 80 80 GLU H H 80 8.630 8.630 8.520 0.110 18818 7892 1 14 . 1 1 81 81 PHE N N 81 123.500 123.500 123.729 -0.229 18818 7893 1 14 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.157 0.373 18818 7894 1 14 . 1 1 81 81 PHE C C 81 177.000 177.000 176.473 0.527 18818 7895 1 14 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.582 -0.282 18818 7896 1 14 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.144 -0.644 18818 7897 1 14 . 1 1 81 81 PHE H H 81 9.360 9.360 8.993 0.367 18818 7898 1 14 . 1 1 82 82 ARG N N 82 116.500 116.500 116.369 0.131 18818 7899 1 14 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.926 0.114 18818 7900 1 14 . 1 1 82 82 ARG C C 82 178.000 178.000 177.785 0.215 18818 7901 1 14 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.381 0.819 18818 7902 1 14 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.260 -0.060 18818 7903 1 14 . 1 1 82 82 ARG H H 82 8.940 8.940 8.539 0.401 18818 7904 1 14 . 1 1 83 83 SER N N 83 115.700 115.700 116.296 -0.596 18818 7905 1 14 . 1 1 83 83 SER HA H 83 4.510 4.510 4.405 0.105 18818 7906 1 14 . 1 1 83 83 SER C C 83 175.800 175.800 175.963 -0.163 18818 7907 1 14 . 1 1 83 83 SER CA C 83 61.700 61.700 60.295 1.405 18818 7908 1 14 . 1 1 83 83 SER CB C 83 62.700 62.700 63.567 -0.867 18818 7909 1 14 . 1 1 83 83 SER H H 83 7.610 7.610 7.937 -0.327 18818 7910 1 14 . 1 1 84 84 PHE N N 84 122.200 122.200 123.407 -1.207 18818 7911 1 14 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.197 0.023 18818 7912 1 14 . 1 1 84 84 PHE C C 84 175.000 175.000 176.156 -1.156 18818 7913 1 14 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.529 -1.530 18818 7914 1 14 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.401 -0.202 18818 7915 1 14 . 1 1 84 84 PHE H H 84 7.490 7.490 7.736 -0.246 18818 7916 1 14 . 1 1 85 85 TRP N N 85 120.700 120.700 119.649 1.051 18818 7917 1 14 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.157 -0.397 18818 7918 1 14 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.498 -0.698 18818 7919 1 14 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.588 -0.388 18818 7920 1 14 . 1 1 85 85 TRP H H 85 8.770 8.770 7.865 0.905 18818 7921 1 14 . 1 1 86 86 GLU N N 86 119.100 119.100 116.972 2.128 18818 7922 1 14 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.961 0.119 18818 7923 1 14 . 1 1 86 86 GLU C C 86 179.100 179.100 178.789 0.311 18818 7924 1 14 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.117 0.182 18818 7925 1 14 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.068 0.432 18818 7926 1 14 . 1 1 86 86 GLU H H 86 8.150 8.150 8.128 0.022 18818 7927 1 14 . 1 1 87 87 LEU N N 87 120.800 120.800 119.472 1.328 18818 7928 1 14 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.084 -0.034 18818 7929 1 14 . 1 1 87 87 LEU C C 87 178.900 178.900 178.659 0.241 18818 7930 1 14 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.773 1.127 18818 7931 1 14 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.141 -0.841 18818 7932 1 14 . 1 1 87 87 LEU H H 87 7.600 7.600 7.318 0.282 18818 7933 1 14 . 1 1 88 88 ILE N N 88 115.200 115.200 119.705 -4.505 18818 7934 1 14 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.372 0.208 18818 7935 1 14 . 1 1 88 88 ILE C C 88 177.300 177.300 177.651 -0.351 18818 7936 1 14 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.931 -1.931 18818 7937 1 14 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.693 -1.093 18818 7938 1 14 . 1 1 88 88 ILE H H 88 7.960 7.960 7.620 0.340 18818 7939 1 14 . 1 1 89 89 GLY N N 89 108.100 108.100 107.238 0.862 18818 7940 1 14 . 1 1 89 89 GLY C C 89 175.700 175.700 175.435 0.265 18818 7941 1 14 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.210 -1.810 18818 7942 1 14 . 1 1 89 89 GLY H H 89 7.620 7.620 8.075 -0.455 18818 7943 1 14 . 1 1 90 90 GLU N N 90 120.000 120.000 121.517 -1.517 18818 7944 1 14 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.115 -0.155 18818 7945 1 14 . 1 1 90 90 GLU C C 90 179.100 179.100 178.756 0.344 18818 7946 1 14 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.251 -0.051 18818 7947 1 14 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.228 -0.428 18818 7948 1 14 . 1 1 90 90 GLU H H 90 7.410 7.410 7.311 0.099 18818 7949 1 14 . 1 1 91 91 ALA N N 91 122.400 122.400 122.951 -0.551 18818 7950 1 14 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.984 0.036 18818 7951 1 14 . 1 1 91 91 ALA C C 91 178.700 178.700 178.875 -0.175 18818 7952 1 14 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.731 -0.731 18818 7953 1 14 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.306 -0.306 18818 7954 1 14 . 1 1 91 91 ALA H H 91 7.610 7.610 7.433 0.177 18818 7955 1 14 . 1 1 92 92 ALA N N 92 118.000 118.000 117.285 0.715 18818 7956 1 14 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.425 -0.755 18818 7957 1 14 . 1 1 92 92 ALA C C 92 177.900 177.900 177.948 -0.048 18818 7958 1 14 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.041 0.859 18818 7959 1 14 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.474 -0.574 18818 7960 1 14 . 1 1 92 92 ALA H H 92 7.740 7.740 7.786 -0.046 18818 7961 1 14 . 1 1 93 93 LYS N N 93 114.600 114.600 117.470 -2.870 18818 7962 1 14 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.228 -0.458 18818 7963 1 14 . 1 1 93 93 LYS C C 93 177.000 177.000 177.846 -0.846 18818 7964 1 14 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.839 -0.339 18818 7965 1 14 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.246 -0.446 18818 7966 1 14 . 1 1 93 93 LYS H H 93 7.200 7.200 7.487 -0.287 18818 7967 1 14 . 1 1 94 94 SER N N 94 113.000 113.000 113.256 -0.256 18818 7968 1 14 . 1 1 94 94 SER HA H 94 4.450 4.450 4.498 -0.048 18818 7969 1 14 . 1 1 94 94 SER C C 94 174.500 174.500 174.995 -0.495 18818 7970 1 14 . 1 1 94 94 SER CA C 94 58.800 58.800 59.490 -0.690 18818 7971 1 14 . 1 1 94 94 SER CB C 94 63.900 63.900 65.491 -1.591 18818 7972 1 14 . 1 1 94 94 SER H H 94 7.530 7.530 7.888 -0.358 18818 7973 1 14 . 1 1 95 95 VAL N N 95 122.100 122.100 122.255 -0.155 18818 7974 1 14 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.262 -0.322 18818 7975 1 14 . 1 1 95 95 VAL C C 95 175.400 175.400 173.876 1.524 18818 7976 1 14 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.252 1.948 18818 7977 1 14 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.067 -0.567 18818 7978 1 14 . 1 1 95 95 VAL H H 95 7.440 7.440 7.829 -0.389 18818 7979 1 14 . 1 1 96 96 LYS N N 96 126.300 126.300 126.555 -0.255 18818 7980 1 14 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.549 -0.149 18818 7981 1 14 . 1 1 96 96 LYS C C 96 176.000 176.000 175.053 0.947 18818 7982 1 14 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.017 0.483 18818 7983 1 14 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.912 -2.412 18818 7984 1 14 . 1 1 96 96 LYS H H 96 8.470 8.470 8.386 0.084 18818 7985 1 14 . 1 1 97 97 LEU N N 97 123.400 123.400 123.696 -0.296 18818 7986 1 14 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.479 -0.069 18818 7987 1 14 . 1 1 97 97 LEU C C 97 176.700 176.700 176.628 0.072 18818 7988 1 14 . 1 1 97 97 LEU CA C 97 54.400 54.400 54.980 -0.580 18818 7989 1 14 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.456 -0.156 18818 7990 1 14 . 1 1 97 97 LEU H H 97 8.140 8.140 8.340 -0.200 18818 7991 1 14 . 1 1 98 98 GLU N N 98 121.400 121.400 123.803 -2.403 18818 7992 1 14 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.403 -0.063 18818 7993 1 14 . 1 1 98 98 GLU C C 98 175.900 175.900 175.680 0.220 18818 7994 1 14 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.605 -0.405 18818 7995 1 14 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.297 -0.196 18818 7996 1 14 . 1 1 98 98 GLU H H 98 8.320 8.320 8.557 -0.237 18818 7997 1 14 . 1 1 99 99 ARG N N 99 122.800 122.800 123.122 -0.322 18818 7998 1 14 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.674 0.136 18818 7999 1 14 . 1 1 99 99 ARG C C 99 173.900 173.900 173.829 0.071 18818 8000 1 14 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.425 0.175 18818 8001 1 14 . 1 1 99 99 ARG CB C 99 29.900 29.900 31.293 -1.393 18818 8002 1 14 . 1 1 99 99 ARG H H 99 8.280 8.280 8.412 -0.132 18818 8003 1 14 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.442 0.078 18818 8004 1 14 . 1 1 100 100 PRO C C 100 176.700 176.700 176.083 0.617 18818 8005 1 14 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.107 -0.307 18818 8006 1 14 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.668 0.032 18818 8007 1 14 . 1 1 101 101 VAL N N 101 120.500 120.500 122.709 -2.209 18818 8008 1 14 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.360 -0.230 18818 8009 1 14 . 1 1 101 101 VAL C C 101 176.000 176.000 174.696 1.304 18818 8010 1 14 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.337 0.763 18818 8011 1 14 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.644 -2.444 18818 8012 1 14 . 1 1 101 101 VAL H H 101 8.230 8.230 8.289 -0.059 18818 8013 1 14 . 1 1 102 102 ARG N N 102 124.600 124.600 125.726 -1.126 18818 8014 1 14 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.599 -0.179 18818 8015 1 14 . 1 1 102 102 ARG C C 102 176.400 176.400 175.481 0.919 18818 8016 1 14 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.393 0.507 18818 8017 1 14 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.439 -0.739 18818 8018 1 14 . 1 1 102 102 ARG H H 102 8.390 8.390 8.586 -0.196 18818 8019 1 14 . 1 1 103 103 GLY N N 103 110.400 110.400 110.757 -0.357 18818 8020 1 14 . 1 1 103 103 GLY C C 103 172.900 172.900 173.296 -0.396 18818 8021 1 14 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.195 0.805 18818 8022 1 14 . 1 1 103 103 GLY H H 103 8.400 8.400 8.470 -0.070 18818 8023 1 15 . 1 1 5 5 ARG N N 5 124.100 124.100 119.921 4.179 18818 8024 1 15 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.193 -0.143 18818 8025 1 15 . 1 1 5 5 ARG C C 5 173.800 173.800 175.668 -1.868 18818 8026 1 15 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.997 -0.997 18818 8027 1 15 . 1 1 5 5 ARG CB C 5 30.700 30.700 29.731 0.969 18818 8028 1 15 . 1 1 5 5 ARG H H 5 8.570 8.570 8.044 0.526 18818 8029 1 15 . 1 1 6 6 SER N N 6 117.500 117.500 115.906 1.594 18818 8030 1 15 . 1 1 6 6 SER HA H 6 4.510 4.510 4.492 0.018 18818 8031 1 15 . 1 1 6 6 SER C C 6 174.100 174.100 175.701 -1.601 18818 8032 1 15 . 1 1 6 6 SER CA C 6 58.000 58.000 57.783 0.217 18818 8033 1 15 . 1 1 6 6 SER CB C 6 63.700 63.700 64.122 -0.422 18818 8034 1 15 . 1 1 6 6 SER H H 6 8.370 8.370 8.311 0.059 18818 8035 1 15 . 1 1 7 7 ALA N N 7 125.900 125.900 123.356 2.544 18818 8036 1 15 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.290 0.110 18818 8037 1 15 . 1 1 7 7 ALA C C 7 177.200 177.200 177.007 0.193 18818 8038 1 15 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.697 0.903 18818 8039 1 15 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.746 0.254 18818 8040 1 15 . 1 1 7 7 ALA H H 7 8.410 8.410 8.677 -0.267 18818 8041 1 15 . 1 1 8 8 ASN N N 8 117.400 117.400 117.894 -0.494 18818 8042 1 15 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.405 0.365 18818 8043 1 15 . 1 1 8 8 ASN C C 8 174.900 174.900 176.364 -1.464 18818 8044 1 15 . 1 1 8 8 ASN CA C 8 52.900 52.900 54.149 -1.249 18818 8045 1 15 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.782 0.018 18818 8046 1 15 . 1 1 8 8 ASN H H 8 8.360 8.360 7.490 0.870 18818 8047 1 15 . 1 1 9 9 ALA N N 9 124.400 124.400 126.635 -2.235 18818 8048 1 15 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.893 0.457 18818 8049 1 15 . 1 1 9 9 ALA C C 9 177.800 177.800 176.891 0.909 18818 8050 1 15 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.623 -0.923 18818 8051 1 15 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.985 0.915 18818 8052 1 15 . 1 1 9 9 ALA H H 9 8.270 8.270 9.012 -0.742 18818 8053 1 15 . 1 1 10 10 GLU N N 10 119.300 119.300 116.616 2.684 18818 8054 1 15 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.343 -0.033 18818 8055 1 15 . 1 1 10 10 GLU C C 10 176.400 176.400 177.133 -0.733 18818 8056 1 15 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.502 -0.602 18818 8057 1 15 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.894 -1.294 18818 8058 1 15 . 1 1 10 10 GLU H H 10 8.470 8.470 7.974 0.496 18818 8059 1 15 . 1 1 11 11 ASP N N 11 120.600 120.600 119.733 0.867 18818 8060 1 15 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.523 0.087 18818 8061 1 15 . 1 1 11 11 ASP C C 11 176.100 176.100 175.652 0.448 18818 8062 1 15 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.878 -0.578 18818 8063 1 15 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.225 -0.425 18818 8064 1 15 . 1 1 11 11 ASP H H 11 8.200 8.200 8.386 -0.186 18818 8065 1 15 . 1 1 12 12 ALA N N 12 123.800 123.800 121.440 2.360 18818 8066 1 15 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.039 0.051 18818 8067 1 15 . 1 1 12 12 ALA C C 12 177.800 177.800 176.365 1.435 18818 8068 1 15 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.986 -0.486 18818 8069 1 15 . 1 1 12 12 ALA CB C 12 18.800 18.800 16.895 1.905 18818 8070 1 15 . 1 1 12 12 ALA H H 12 8.070 8.070 8.103 -0.033 18818 8071 1 15 . 1 1 13 13 GLN N N 13 118.500 118.500 113.430 5.070 18818 8072 1 15 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.481 -0.211 18818 8073 1 15 . 1 1 13 13 GLN C C 13 175.700 175.700 177.090 -1.390 18818 8074 1 15 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.765 0.135 18818 8075 1 15 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.796 -1.696 18818 8076 1 15 . 1 1 13 13 GLN H H 13 8.230 8.230 8.468 -0.238 18818 8077 1 15 . 1 1 14 14 GLU N N 14 120.600 120.600 119.813 0.787 18818 8078 1 15 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.151 0.149 18818 8079 1 15 . 1 1 14 14 GLU C C 14 175.800 175.800 176.805 -1.005 18818 8080 1 15 . 1 1 14 14 GLU CA C 14 55.800 55.800 58.458 -2.658 18818 8081 1 15 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.877 0.023 18818 8082 1 15 . 1 1 14 14 GLU H H 14 8.100 8.100 7.988 0.112 18818 8083 1 15 . 1 1 15 15 PHE N N 15 121.100 121.100 118.220 2.880 18818 8084 1 15 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.683 0.197 18818 8085 1 15 . 1 1 15 15 PHE C C 15 176.900 176.900 176.036 0.864 18818 8086 1 15 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.668 -0.368 18818 8087 1 15 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.104 -0.804 18818 8088 1 15 . 1 1 15 15 PHE H H 15 8.030 8.030 7.500 0.530 18818 8089 1 15 . 1 1 16 16 SER N N 16 119.400 119.400 116.426 2.974 18818 8090 1 15 . 1 1 16 16 SER HA H 16 4.850 4.850 4.487 0.363 18818 8091 1 15 . 1 1 16 16 SER C C 16 174.800 174.800 175.601 -0.801 18818 8092 1 15 . 1 1 16 16 SER CA C 16 57.000 57.000 58.141 -1.141 18818 8093 1 15 . 1 1 16 16 SER CB C 16 65.600 65.600 64.595 1.005 18818 8094 1 15 . 1 1 16 16 SER H H 16 9.530 9.530 9.245 0.285 18818 8095 1 15 . 1 1 17 17 ASP N N 17 121.300 121.300 121.488 -0.188 18818 8096 1 15 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.445 0.105 18818 8097 1 15 . 1 1 17 17 ASP C C 17 179.700 179.700 177.570 2.130 18818 8098 1 15 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.979 0.021 18818 8099 1 15 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.484 -0.984 18818 8100 1 15 . 1 1 17 17 ASP H H 17 9.270 9.270 8.920 0.350 18818 8101 1 15 . 1 1 18 18 VAL N N 18 120.600 120.600 117.938 2.662 18818 8102 1 15 . 1 1 18 18 VAL HA H 18 3.680 3.680 4.040 -0.360 18818 8103 1 15 . 1 1 18 18 VAL C C 18 176.900 176.900 177.015 -0.115 18818 8104 1 15 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.274 2.226 18818 8105 1 15 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.124 -0.224 18818 8106 1 15 . 1 1 18 18 VAL H H 18 8.230 8.230 7.968 0.262 18818 8107 1 15 . 1 1 19 19 GLU N N 19 121.000 121.000 120.583 0.417 18818 8108 1 15 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.170 -0.430 18818 8109 1 15 . 1 1 19 19 GLU C C 19 178.600 178.600 178.843 -0.243 18818 8110 1 15 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.490 0.510 18818 8111 1 15 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.786 -1.086 18818 8112 1 15 . 1 1 19 19 GLU H H 19 8.180 8.180 7.920 0.260 18818 8113 1 15 . 1 1 20 20 ARG N N 20 118.100 118.100 117.952 0.148 18818 8114 1 15 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.374 -0.074 18818 8115 1 15 . 1 1 20 20 ARG C C 20 178.700 178.700 178.283 0.417 18818 8116 1 15 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.873 0.227 18818 8117 1 15 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.792 -0.092 18818 8118 1 15 . 1 1 20 20 ARG H H 20 8.920 8.920 8.743 0.177 18818 8119 1 15 . 1 1 21 21 ALA N N 21 123.800 123.800 123.652 0.148 18818 8120 1 15 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.166 0.254 18818 8121 1 15 . 1 1 21 21 ALA C C 21 179.300 179.300 179.414 -0.114 18818 8122 1 15 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.847 0.353 18818 8123 1 15 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.065 -0.165 18818 8124 1 15 . 1 1 21 21 ALA H H 21 8.060 8.060 7.798 0.262 18818 8125 1 15 . 1 1 22 22 ILE N N 22 118.200 118.200 118.419 -0.219 18818 8126 1 15 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.716 0.004 18818 8127 1 15 . 1 1 22 22 ILE C C 22 177.500 177.500 178.329 -0.829 18818 8128 1 15 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.633 0.367 18818 8129 1 15 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.908 -0.508 18818 8130 1 15 . 1 1 22 22 ILE H H 22 8.010 8.010 7.590 0.420 18818 8131 1 15 . 1 1 23 23 GLU N N 23 120.100 120.100 119.034 1.066 18818 8132 1 15 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.072 -0.112 18818 8133 1 15 . 1 1 23 23 GLU C C 23 178.000 178.000 179.021 -1.021 18818 8134 1 15 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.693 0.607 18818 8135 1 15 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.476 0.024 18818 8136 1 15 . 1 1 23 23 GLU H H 23 8.450 8.450 7.929 0.521 18818 8137 1 15 . 1 1 24 24 THR N N 24 117.300 117.300 116.723 0.577 18818 8138 1 15 . 1 1 24 24 THR HA H 24 4.010 4.010 4.137 -0.127 18818 8139 1 15 . 1 1 24 24 THR C C 24 177.000 177.000 176.775 0.225 18818 8140 1 15 . 1 1 24 24 THR CA C 24 67.100 67.100 66.886 0.214 18818 8141 1 15 . 1 1 24 24 THR CB C 24 68.200 68.200 68.832 -0.632 18818 8142 1 15 . 1 1 24 24 THR H H 24 8.720 8.720 8.356 0.364 18818 8143 1 15 . 1 1 25 25 LEU N N 25 123.400 123.400 119.121 4.279 18818 8144 1 15 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.455 -0.175 18818 8145 1 15 . 1 1 25 25 LEU C C 25 178.200 178.200 178.815 -0.615 18818 8146 1 15 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.834 1.466 18818 8147 1 15 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.593 0.107 18818 8148 1 15 . 1 1 25 25 LEU H H 25 8.150 8.150 7.806 0.344 18818 8149 1 15 . 1 1 26 26 ILE N N 26 119.500 119.500 120.570 -1.070 18818 8150 1 15 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.751 0.249 18818 8151 1 15 . 1 1 26 26 ILE C C 26 177.900 177.900 178.395 -0.495 18818 8152 1 15 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.055 1.045 18818 8153 1 15 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.893 0.407 18818 8154 1 15 . 1 1 26 26 ILE H H 26 8.510 8.510 8.023 0.487 18818 8155 1 15 . 1 1 27 27 LYS N N 27 120.500 120.500 118.491 2.009 18818 8156 1 15 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.563 0.587 18818 8157 1 15 . 1 1 27 27 LYS C C 27 179.600 179.600 178.726 0.874 18818 8158 1 15 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.573 1.527 18818 8159 1 15 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.385 0.615 18818 8160 1 15 . 1 1 27 27 LYS H H 27 9.000 9.000 8.414 0.586 18818 8161 1 15 . 1 1 28 28 ASN N N 28 117.300 117.300 117.888 -0.588 18818 8162 1 15 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.707 -0.147 18818 8163 1 15 . 1 1 28 28 ASN C C 28 176.000 176.000 177.009 -1.009 18818 8164 1 15 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.075 1.625 18818 8165 1 15 . 1 1 28 28 ASN CB C 28 40.300 40.300 39.014 1.286 18818 8166 1 15 . 1 1 28 28 ASN H H 28 7.990 7.990 7.596 0.394 18818 8167 1 15 . 1 1 29 29 PHE N N 29 119.100 119.100 122.341 -3.241 18818 8168 1 15 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.665 0.245 18818 8169 1 15 . 1 1 29 29 PHE C C 29 176.200 176.200 176.790 -0.590 18818 8170 1 15 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.391 -0.191 18818 8171 1 15 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.641 -0.041 18818 8172 1 15 . 1 1 29 29 PHE H H 29 7.990 7.990 8.224 -0.234 18818 8173 1 15 . 1 1 30 30 HIS N N 30 114.700 114.700 118.088 -3.388 18818 8174 1 15 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.309 0.011 18818 8175 1 15 . 1 1 30 30 HIS C C 30 177.400 177.400 178.023 -0.623 18818 8176 1 15 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.554 -0.054 18818 8177 1 15 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.752 -0.152 18818 8178 1 15 . 1 1 30 30 HIS H H 30 8.180 8.180 7.930 0.250 18818 8179 1 15 . 1 1 31 31 GLN N N 31 118.500 118.500 119.883 -1.383 18818 8180 1 15 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.038 0.042 18818 8181 1 15 . 1 1 31 31 GLN C C 31 176.600 176.600 176.878 -0.278 18818 8182 1 15 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.988 -0.188 18818 8183 1 15 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.200 -0.800 18818 8184 1 15 . 1 1 31 31 GLN H H 31 8.280 8.280 7.859 0.421 18818 8185 1 15 . 1 1 32 32 TYR N N 32 115.700 115.700 117.162 -1.462 18818 8186 1 15 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.614 -0.404 18818 8187 1 15 . 1 1 32 32 TYR C C 32 174.800 174.800 174.549 0.251 18818 8188 1 15 . 1 1 32 32 TYR CA C 32 59.700 59.700 57.101 2.599 18818 8189 1 15 . 1 1 32 32 TYR CB C 32 38.700 38.700 38.762 -0.062 18818 8190 1 15 . 1 1 32 32 TYR H H 32 7.410 7.410 7.609 -0.199 18818 8191 1 15 . 1 1 33 33 SER N N 33 114.000 114.000 114.245 -0.245 18818 8192 1 15 . 1 1 33 33 SER HA H 33 4.530 4.530 4.607 -0.077 18818 8193 1 15 . 1 1 33 33 SER C C 33 175.000 175.000 174.170 0.830 18818 8194 1 15 . 1 1 33 33 SER CA C 33 57.200 57.200 57.517 -0.317 18818 8195 1 15 . 1 1 33 33 SER CB C 33 63.200 63.200 63.119 0.081 18818 8196 1 15 . 1 1 33 33 SER H H 33 7.260 7.260 7.647 -0.387 18818 8197 1 15 . 1 1 34 34 VAL N N 34 126.600 126.600 116.104 10.496 18818 8198 1 15 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.702 -0.692 18818 8199 1 15 . 1 1 34 34 VAL C C 34 177.800 177.800 176.505 1.295 18818 8200 1 15 . 1 1 34 34 VAL CA C 34 64.400 64.400 62.722 1.678 18818 8201 1 15 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.252 -0.152 18818 8202 1 15 . 1 1 34 34 VAL H H 34 8.490 8.490 7.664 0.826 18818 8203 1 15 . 1 1 35 35 GLU N N 35 122.100 122.100 120.922 1.178 18818 8204 1 15 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.283 -0.033 18818 8205 1 15 . 1 1 35 35 GLU C C 35 177.800 177.800 178.885 -1.085 18818 8206 1 15 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.579 -0.079 18818 8207 1 15 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.894 -0.094 18818 8208 1 15 . 1 1 35 35 GLU H H 35 8.980 8.980 8.780 0.200 18818 8209 1 15 . 1 1 36 36 GLY N N 36 108.500 108.500 108.154 0.346 18818 8210 1 15 . 1 1 36 36 GLY C C 36 175.000 175.000 174.449 0.551 18818 8211 1 15 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.400 0.900 18818 8212 1 15 . 1 1 36 36 GLY H H 36 8.490 8.490 8.477 0.013 18818 8213 1 15 . 1 1 37 37 GLY N N 37 108.700 108.700 109.889 -1.189 18818 8214 1 15 . 1 1 37 37 GLY C C 37 174.100 174.100 174.244 -0.144 18818 8215 1 15 . 1 1 37 37 GLY CA C 37 45.800 45.800 46.567 -0.767 18818 8216 1 15 . 1 1 37 37 GLY H H 37 8.140 8.140 7.860 0.280 18818 8217 1 15 . 1 1 38 38 LYS N N 38 118.000 118.000 124.490 -6.490 18818 8218 1 15 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.769 -0.299 18818 8219 1 15 . 1 1 38 38 LYS C C 38 176.000 176.000 175.798 0.202 18818 8220 1 15 . 1 1 38 38 LYS CA C 38 56.100 56.100 55.940 0.160 18818 8221 1 15 . 1 1 38 38 LYS CB C 38 32.700 32.700 33.684 -0.984 18818 8222 1 15 . 1 1 38 38 LYS H H 38 8.050 8.050 8.332 -0.282 18818 8223 1 15 . 1 1 39 39 GLU N N 39 118.100 118.100 116.867 1.233 18818 8224 1 15 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.656 -0.096 18818 8225 1 15 . 1 1 39 39 GLU C C 39 175.600 175.600 175.697 -0.097 18818 8226 1 15 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.375 0.425 18818 8227 1 15 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.273 -2.073 18818 8228 1 15 . 1 1 39 39 GLU H H 39 8.630 8.630 7.822 0.808 18818 8229 1 15 . 1 1 40 40 THR N N 40 108.100 108.100 111.639 -3.539 18818 8230 1 15 . 1 1 40 40 THR HA H 40 5.160 5.160 4.945 0.215 18818 8231 1 15 . 1 1 40 40 THR C C 40 173.400 173.400 173.379 0.021 18818 8232 1 15 . 1 1 40 40 THR CA C 40 59.300 59.300 60.189 -0.889 18818 8233 1 15 . 1 1 40 40 THR CB C 40 72.100 72.100 71.516 0.584 18818 8234 1 15 . 1 1 40 40 THR H H 40 7.490 7.490 7.822 -0.332 18818 8235 1 15 . 1 1 41 41 LEU N N 41 120.700 120.700 121.511 -0.811 18818 8236 1 15 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.706 0.334 18818 8237 1 15 . 1 1 41 41 LEU C C 41 177.000 177.000 175.465 1.535 18818 8238 1 15 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.419 -0.119 18818 8239 1 15 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.724 -1.424 18818 8240 1 15 . 1 1 41 41 LEU H H 41 8.660 8.660 8.465 0.195 18818 8241 1 15 . 1 1 42 42 THR N N 42 113.500 113.500 112.640 0.860 18818 8242 1 15 . 1 1 42 42 THR HA H 42 5.000 5.000 4.945 0.055 18818 8243 1 15 . 1 1 42 42 THR C C 42 174.100 174.100 173.465 0.635 18818 8244 1 15 . 1 1 42 42 THR CA C 42 59.800 59.800 59.179 0.621 18818 8245 1 15 . 1 1 42 42 THR CB C 42 68.100 68.100 69.977 -1.877 18818 8246 1 15 . 1 1 42 42 THR H H 42 9.130 9.130 8.230 0.900 18818 8247 1 15 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.113 0.037 18818 8248 1 15 . 1 1 43 43 PRO C C 43 178.600 178.600 178.691 -0.091 18818 8249 1 15 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.250 -0.050 18818 8250 1 15 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.613 0.088 18818 8251 1 15 . 1 1 44 44 SER N N 44 111.600 111.600 113.128 -1.528 18818 8252 1 15 . 1 1 44 44 SER HA H 44 4.170 4.170 4.193 -0.023 18818 8253 1 15 . 1 1 44 44 SER C C 44 176.200 176.200 176.441 -0.241 18818 8254 1 15 . 1 1 44 44 SER CA C 44 61.500 61.500 61.642 -0.142 18818 8255 1 15 . 1 1 44 44 SER CB C 44 62.200 62.200 62.329 -0.129 18818 8256 1 15 . 1 1 44 44 SER H H 44 8.090 8.090 8.578 -0.488 18818 8257 1 15 . 1 1 45 45 GLU N N 45 123.900 123.900 121.961 1.939 18818 8258 1 15 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.265 -0.005 18818 8259 1 15 . 1 1 45 45 GLU C C 45 179.000 179.000 178.467 0.533 18818 8260 1 15 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.990 1.110 18818 8261 1 15 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.514 0.186 18818 8262 1 15 . 1 1 45 45 GLU H H 45 7.700 7.700 7.755 -0.055 18818 8263 1 15 . 1 1 46 46 LEU N N 46 118.900 118.900 122.726 -3.826 18818 8264 1 15 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.938 0.142 18818 8265 1 15 . 1 1 46 46 LEU C C 46 177.600 177.600 178.928 -1.328 18818 8266 1 15 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.300 -1.000 18818 8267 1 15 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.917 -1.017 18818 8268 1 15 . 1 1 46 46 LEU H H 46 8.400 8.400 8.484 -0.084 18818 8269 1 15 . 1 1 47 47 ARG N N 47 119.300 119.300 117.741 1.559 18818 8270 1 15 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.894 -0.124 18818 8271 1 15 . 1 1 47 47 ARG C C 47 178.900 178.900 178.414 0.486 18818 8272 1 15 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.931 0.069 18818 8273 1 15 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.949 -0.949 18818 8274 1 15 . 1 1 47 47 ARG H H 47 8.260 8.260 8.035 0.225 18818 8275 1 15 . 1 1 48 48 ASP N N 48 122.300 122.300 119.941 2.359 18818 8276 1 15 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.484 -0.054 18818 8277 1 15 . 1 1 48 48 ASP C C 48 176.700 176.700 178.483 -1.783 18818 8278 1 15 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.158 0.342 18818 8279 1 15 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.029 -1.629 18818 8280 1 15 . 1 1 48 48 ASP H H 48 8.160 8.160 7.631 0.529 18818 8281 1 15 . 1 1 49 49 LEU N N 49 122.600 122.600 117.744 4.856 18818 8282 1 15 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.704 -0.534 18818 8283 1 15 . 1 1 49 49 LEU C C 49 179.100 179.100 178.212 0.888 18818 8284 1 15 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.393 1.607 18818 8285 1 15 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.169 0.131 18818 8286 1 15 . 1 1 49 49 LEU H H 49 7.980 7.980 8.113 -0.133 18818 8287 1 15 . 1 1 50 50 VAL N N 50 118.200 118.200 120.520 -2.320 18818 8288 1 15 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.707 -0.157 18818 8289 1 15 . 1 1 50 50 VAL C C 50 178.800 178.800 178.403 0.397 18818 8290 1 15 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.584 -0.184 18818 8291 1 15 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.772 0.728 18818 8292 1 15 . 1 1 50 50 VAL H H 50 8.390 8.390 7.596 0.794 18818 8293 1 15 . 1 1 51 51 THR N N 51 115.000 115.000 114.313 0.687 18818 8294 1 15 . 1 1 51 51 THR HA H 51 3.990 3.990 4.126 -0.136 18818 8295 1 15 . 1 1 51 51 THR C C 51 176.000 176.000 176.151 -0.151 18818 8296 1 15 . 1 1 51 51 THR CA C 51 65.800 65.800 64.837 0.963 18818 8297 1 15 . 1 1 51 51 THR CB C 51 68.900 68.900 68.764 0.136 18818 8298 1 15 . 1 1 51 51 THR H H 51 8.480 8.480 8.091 0.389 18818 8299 1 15 . 1 1 52 52 GLN N N 52 116.400 116.400 119.293 -2.893 18818 8300 1 15 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.310 -0.060 18818 8301 1 15 . 1 1 52 52 GLN C C 52 178.300 178.300 177.731 0.569 18818 8302 1 15 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.914 -0.114 18818 8303 1 15 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.110 -0.610 18818 8304 1 15 . 1 1 52 52 GLN H H 52 8.180 8.180 7.639 0.541 18818 8305 1 15 . 1 1 53 53 GLN N N 53 112.100 112.100 116.948 -4.848 18818 8306 1 15 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.419 0.431 18818 8307 1 15 . 1 1 53 53 GLN C C 53 176.900 176.900 176.505 0.395 18818 8308 1 15 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.683 -1.683 18818 8309 1 15 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.001 -1.601 18818 8310 1 15 . 1 1 53 53 GLN H H 53 8.490 8.490 8.033 0.457 18818 8311 1 15 . 1 1 54 54 LEU N N 54 119.800 119.800 119.603 0.197 18818 8312 1 15 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.872 0.378 18818 8313 1 15 . 1 1 54 54 LEU C C 54 176.900 176.900 174.767 2.133 18818 8314 1 15 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.397 1.503 18818 8315 1 15 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.907 0.193 18818 8316 1 15 . 1 1 54 54 LEU H H 54 7.920 7.920 7.887 0.033 18818 8317 1 15 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.336 0.134 18818 8318 1 15 . 1 1 55 55 PRO C C 55 178.300 178.300 177.380 0.920 18818 8319 1 15 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.535 0.765 18818 8320 1 15 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.761 -1.061 18818 8321 1 15 . 1 1 56 56 HIS N N 56 116.500 116.500 116.442 0.058 18818 8322 1 15 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.493 0.097 18818 8323 1 15 . 1 1 56 56 HIS C C 56 176.300 176.300 176.385 -0.085 18818 8324 1 15 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.102 -0.302 18818 8325 1 15 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.406 -1.106 18818 8326 1 15 . 1 1 56 56 HIS H H 56 9.770 9.770 8.383 1.387 18818 8327 1 15 . 1 1 57 57 LEU N N 57 116.600 116.600 119.117 -2.517 18818 8328 1 15 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.332 -0.002 18818 8329 1 15 . 1 1 57 57 LEU C C 57 176.400 176.400 176.130 0.270 18818 8330 1 15 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.878 -0.478 18818 8331 1 15 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.904 -0.404 18818 8332 1 15 . 1 1 57 57 LEU H H 57 7.830 7.830 7.918 -0.088 18818 8333 1 15 . 1 1 58 58 MET N N 58 118.000 118.000 118.803 -0.803 18818 8334 1 15 . 1 1 58 58 MET HA H 58 4.540 4.540 4.841 -0.301 18818 8335 1 15 . 1 1 58 58 MET C C 58 171.600 171.600 173.472 -1.872 18818 8336 1 15 . 1 1 58 58 MET CA C 58 53.500 53.500 53.277 0.223 18818 8337 1 15 . 1 1 58 58 MET CB C 58 32.700 32.700 33.141 -0.441 18818 8338 1 15 . 1 1 58 58 MET H H 58 7.970 7.970 7.513 0.457 18818 8339 1 15 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.616 -0.166 18818 8340 1 15 . 1 1 59 59 PRO C C 59 177.400 177.400 176.842 0.558 18818 8341 1 15 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.031 1.069 18818 8342 1 15 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.624 -0.724 18818 8343 1 15 . 1 1 60 60 SER N N 60 114.900 114.900 116.252 -1.352 18818 8344 1 15 . 1 1 60 60 SER HA H 60 4.340 4.340 4.211 0.129 18818 8345 1 15 . 1 1 60 60 SER C C 60 174.700 174.700 176.070 -1.370 18818 8346 1 15 . 1 1 60 60 SER CA C 60 59.100 59.100 59.678 -0.578 18818 8347 1 15 . 1 1 60 60 SER CB C 60 63.200 63.200 63.795 -0.595 18818 8348 1 15 . 1 1 60 60 SER H H 60 8.360 8.360 8.540 -0.180 18818 8349 1 15 . 1 1 61 61 ASN N N 61 120.800 120.800 119.330 1.470 18818 8350 1 15 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.556 0.254 18818 8351 1 15 . 1 1 61 61 ASN C C 61 175.500 175.500 174.576 0.924 18818 8352 1 15 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.532 -2.532 18818 8353 1 15 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.919 -0.019 18818 8354 1 15 . 1 1 61 61 ASN H H 61 7.990 7.990 9.035 -1.045 18818 8355 1 15 . 1 1 62 62 CYS N N 62 117.800 117.800 116.710 1.090 18818 8356 1 15 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.604 -0.013 18818 8357 1 15 . 1 1 62 62 CYS C C 62 175.300 175.300 175.836 -0.536 18818 8358 1 15 . 1 1 62 62 CYS CA C 62 59.200 59.200 58.566 0.634 18818 8359 1 15 . 1 1 62 62 CYS CB C 62 27.400 27.400 29.356 -1.956 18818 8360 1 15 . 1 1 62 62 CYS H H 62 8.260 8.260 7.988 0.272 18818 8361 1 15 . 1 1 63 63 GLY N N 63 111.300 111.300 109.779 1.521 18818 8362 1 15 . 1 1 63 63 GLY C C 63 175.600 175.600 175.790 -0.190 18818 8363 1 15 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.389 -1.089 18818 8364 1 15 . 1 1 63 63 GLY H H 63 8.520 8.520 8.398 0.122 18818 8365 1 15 . 1 1 64 64 LEU N N 64 122.400 122.400 120.035 2.365 18818 8366 1 15 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.488 -0.438 18818 8367 1 15 . 1 1 64 64 LEU C C 64 177.900 177.900 178.524 -0.624 18818 8368 1 15 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.035 0.565 18818 8369 1 15 . 1 1 64 64 LEU CB C 64 42.000 42.000 42.319 -0.319 18818 8370 1 15 . 1 1 64 64 LEU H H 64 7.910 7.910 7.837 0.073 18818 8371 1 15 . 1 1 65 65 GLU N N 65 117.900 117.900 118.975 -1.075 18818 8372 1 15 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.086 -0.176 18818 8373 1 15 . 1 1 65 65 GLU C C 65 179.100 179.100 178.089 1.011 18818 8374 1 15 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.361 1.639 18818 8375 1 15 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.488 -1.088 18818 8376 1 15 . 1 1 65 65 GLU H H 65 8.660 8.660 7.991 0.669 18818 8377 1 15 . 1 1 66 66 GLU N N 66 120.000 120.000 119.310 0.690 18818 8378 1 15 . 1 1 66 66 GLU HA H 66 4.120 4.120 3.986 0.134 18818 8379 1 15 . 1 1 66 66 GLU C C 66 178.200 178.200 178.309 -0.109 18818 8380 1 15 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.233 -0.133 18818 8381 1 15 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.091 0.009 18818 8382 1 15 . 1 1 66 66 GLU H H 66 8.220 8.220 8.131 0.089 18818 8383 1 15 . 1 1 67 67 LYS N N 67 119.300 119.300 118.565 0.735 18818 8384 1 15 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.125 0.015 18818 8385 1 15 . 1 1 67 67 LYS C C 67 179.400 179.400 178.738 0.662 18818 8386 1 15 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.173 0.727 18818 8387 1 15 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.710 0.390 18818 8388 1 15 . 1 1 67 67 LYS H H 67 7.780 7.780 7.651 0.129 18818 8389 1 15 . 1 1 68 68 ILE N N 68 118.400 118.400 120.384 -1.984 18818 8390 1 15 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.804 -0.084 18818 8391 1 15 . 1 1 68 68 ILE C C 68 177.800 177.800 177.750 0.050 18818 8392 1 15 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.553 -0.053 18818 8393 1 15 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.538 -0.238 18818 8394 1 15 . 1 1 68 68 ILE H H 68 8.230 8.230 7.550 0.680 18818 8395 1 15 . 1 1 69 69 ALA N N 69 122.900 122.900 121.036 1.864 18818 8396 1 15 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.051 0.169 18818 8397 1 15 . 1 1 69 69 ALA C C 69 179.600 179.600 178.897 0.703 18818 8398 1 15 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.792 -0.392 18818 8399 1 15 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.470 -0.570 18818 8400 1 15 . 1 1 69 69 ALA H H 69 8.070 8.070 8.096 -0.026 18818 8401 1 15 . 1 1 70 70 ASN N N 70 115.400 115.400 116.745 -1.345 18818 8402 1 15 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.667 0.203 18818 8403 1 15 . 1 1 70 70 ASN C C 70 176.500 176.500 177.570 -1.070 18818 8404 1 15 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.854 -0.554 18818 8405 1 15 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.828 -0.128 18818 8406 1 15 . 1 1 70 70 ASN H H 70 7.880 7.880 7.881 -0.001 18818 8407 1 15 . 1 1 71 71 LEU N N 71 120.600 120.600 117.220 3.380 18818 8408 1 15 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.396 -0.066 18818 8409 1 15 . 1 1 71 71 LEU C C 71 178.300 178.300 177.749 0.551 18818 8410 1 15 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.125 1.175 18818 8411 1 15 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.871 0.429 18818 8412 1 15 . 1 1 71 71 LEU H H 71 7.820 7.820 8.150 -0.330 18818 8413 1 15 . 1 1 72 72 GLY N N 72 106.800 106.800 107.764 -0.964 18818 8414 1 15 . 1 1 72 72 GLY C C 72 174.400 174.400 174.594 -0.194 18818 8415 1 15 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.014 0.686 18818 8416 1 15 . 1 1 72 72 GLY H H 72 8.240 8.240 7.769 0.471 18818 8417 1 15 . 1 1 73 73 SER N N 73 115.600 115.600 115.865 -0.265 18818 8418 1 15 . 1 1 73 73 SER HA H 73 4.570 4.570 4.366 0.204 18818 8419 1 15 . 1 1 73 73 SER C C 73 175.000 175.000 174.362 0.638 18818 8420 1 15 . 1 1 73 73 SER CA C 73 58.900 58.900 60.346 -1.446 18818 8421 1 15 . 1 1 73 73 SER CB C 73 63.600 63.600 63.495 0.105 18818 8422 1 15 . 1 1 73 73 SER H H 73 8.220 8.220 8.503 -0.283 18818 8423 1 15 . 1 1 74 74 CYS N N 74 119.300 119.300 118.335 0.965 18818 8424 1 15 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.555 0.095 18818 8425 1 15 . 1 1 74 74 CYS C C 74 174.500 174.500 172.584 1.916 18818 8426 1 15 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.600 1.100 18818 8427 1 15 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.354 -1.654 18818 8428 1 15 . 1 1 74 74 CYS H H 74 8.260 8.260 7.807 0.453 18818 8429 1 15 . 1 1 75 75 ASN N N 75 120.000 120.000 122.840 -2.840 18818 8430 1 15 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.863 -0.023 18818 8431 1 15 . 1 1 75 75 ASN C C 75 174.700 174.700 175.054 -0.354 18818 8432 1 15 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.126 0.674 18818 8433 1 15 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.890 -1.990 18818 8434 1 15 . 1 1 75 75 ASN H H 75 8.430 8.430 8.481 -0.051 18818 8435 1 15 . 1 1 76 76 ASP N N 76 119.200 119.200 121.547 -2.347 18818 8436 1 15 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.631 0.039 18818 8437 1 15 . 1 1 76 76 ASP C C 76 175.500 175.500 176.601 -1.101 18818 8438 1 15 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.956 -1.556 18818 8439 1 15 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.043 -0.443 18818 8440 1 15 . 1 1 76 76 ASP H H 76 8.300 8.300 8.761 -0.461 18818 8441 1 15 . 1 1 77 77 SER N N 77 112.800 112.800 113.708 -0.908 18818 8442 1 15 . 1 1 77 77 SER HA H 77 4.260 4.260 4.563 -0.303 18818 8443 1 15 . 1 1 77 77 SER C C 77 173.300 173.300 173.415 -0.115 18818 8444 1 15 . 1 1 77 77 SER CA C 77 59.000 59.000 57.909 1.091 18818 8445 1 15 . 1 1 77 77 SER CB C 77 63.100 63.100 63.510 -0.410 18818 8446 1 15 . 1 1 77 77 SER H H 77 8.220 8.220 7.933 0.287 18818 8447 1 15 . 1 1 78 78 LYS N N 78 120.600 120.600 119.722 0.878 18818 8448 1 15 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.917 0.643 18818 8449 1 15 . 1 1 78 78 LYS C C 78 175.300 175.300 175.453 -0.153 18818 8450 1 15 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.562 -1.962 18818 8451 1 15 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.020 1.280 18818 8452 1 15 . 1 1 78 78 LYS H H 78 7.930 7.930 7.600 0.330 18818 8453 1 15 . 1 1 79 79 LEU N N 79 123.700 123.700 120.722 2.978 18818 8454 1 15 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.261 0.519 18818 8455 1 15 . 1 1 79 79 LEU C C 79 176.100 176.100 177.416 -1.316 18818 8456 1 15 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.515 -1.315 18818 8457 1 15 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.858 -0.858 18818 8458 1 15 . 1 1 79 79 LEU H H 79 9.020 9.020 8.510 0.510 18818 8459 1 15 . 1 1 80 80 GLU N N 80 121.200 121.200 117.338 3.862 18818 8460 1 15 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.812 0.088 18818 8461 1 15 . 1 1 80 80 GLU C C 80 177.100 177.100 176.841 0.259 18818 8462 1 15 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.544 0.656 18818 8463 1 15 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.967 -1.367 18818 8464 1 15 . 1 1 80 80 GLU H H 80 8.630 8.630 7.894 0.736 18818 8465 1 15 . 1 1 81 81 PHE N N 81 123.500 123.500 122.969 0.531 18818 8466 1 15 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.610 0.920 18818 8467 1 15 . 1 1 81 81 PHE C C 81 177.000 177.000 176.508 0.492 18818 8468 1 15 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.660 -0.360 18818 8469 1 15 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.192 -0.692 18818 8470 1 15 . 1 1 81 81 PHE H H 81 9.360 9.360 9.225 0.135 18818 8471 1 15 . 1 1 82 82 ARG N N 82 116.500 116.500 116.199 0.301 18818 8472 1 15 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.143 -0.103 18818 8473 1 15 . 1 1 82 82 ARG C C 82 178.000 178.000 177.917 0.083 18818 8474 1 15 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.108 1.092 18818 8475 1 15 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.089 0.111 18818 8476 1 15 . 1 1 82 82 ARG H H 82 8.940 8.940 8.822 0.118 18818 8477 1 15 . 1 1 83 83 SER N N 83 115.700 115.700 116.555 -0.855 18818 8478 1 15 . 1 1 83 83 SER HA H 83 4.510 4.510 4.377 0.133 18818 8479 1 15 . 1 1 83 83 SER C C 83 175.800 175.800 176.607 -0.807 18818 8480 1 15 . 1 1 83 83 SER CA C 83 61.700 61.700 61.459 0.241 18818 8481 1 15 . 1 1 83 83 SER CB C 83 62.700 62.700 63.246 -0.546 18818 8482 1 15 . 1 1 83 83 SER H H 83 7.610 7.610 7.952 -0.342 18818 8483 1 15 . 1 1 84 84 PHE N N 84 122.200 122.200 124.385 -2.185 18818 8484 1 15 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.274 -0.054 18818 8485 1 15 . 1 1 84 84 PHE C C 84 175.000 175.000 176.269 -1.269 18818 8486 1 15 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.454 -1.454 18818 8487 1 15 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.345 -0.145 18818 8488 1 15 . 1 1 84 84 PHE H H 84 7.490 7.490 7.861 -0.371 18818 8489 1 15 . 1 1 85 85 TRP N N 85 120.700 120.700 119.375 1.325 18818 8490 1 15 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.238 -0.478 18818 8491 1 15 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.367 -0.567 18818 8492 1 15 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.664 -0.464 18818 8493 1 15 . 1 1 85 85 TRP H H 85 8.770 8.770 7.881 0.889 18818 8494 1 15 . 1 1 86 86 GLU N N 86 119.100 119.100 116.971 2.129 18818 8495 1 15 . 1 1 86 86 GLU HA H 86 4.080 4.080 4.001 0.079 18818 8496 1 15 . 1 1 86 86 GLU C C 86 179.100 179.100 177.994 1.106 18818 8497 1 15 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.674 0.626 18818 8498 1 15 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.002 0.498 18818 8499 1 15 . 1 1 86 86 GLU H H 86 8.150 8.150 7.751 0.399 18818 8500 1 15 . 1 1 87 87 LEU N N 87 120.800 120.800 119.432 1.368 18818 8501 1 15 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.114 -0.064 18818 8502 1 15 . 1 1 87 87 LEU C C 87 178.900 178.900 178.064 0.836 18818 8503 1 15 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.932 0.968 18818 8504 1 15 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.579 -1.279 18818 8505 1 15 . 1 1 87 87 LEU H H 87 7.600 7.600 7.392 0.208 18818 8506 1 15 . 1 1 88 88 ILE N N 88 115.200 115.200 119.603 -4.403 18818 8507 1 15 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.330 0.250 18818 8508 1 15 . 1 1 88 88 ILE C C 88 177.300 177.300 177.525 -0.225 18818 8509 1 15 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.194 -2.194 18818 8510 1 15 . 1 1 88 88 ILE CB C 88 35.600 35.600 37.032 -1.433 18818 8511 1 15 . 1 1 88 88 ILE H H 88 7.960 7.960 7.575 0.385 18818 8512 1 15 . 1 1 89 89 GLY N N 89 108.100 108.100 107.316 0.784 18818 8513 1 15 . 1 1 89 89 GLY C C 89 175.700 175.700 174.834 0.866 18818 8514 1 15 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.943 -1.543 18818 8515 1 15 . 1 1 89 89 GLY H H 89 7.620 7.620 7.742 -0.122 18818 8516 1 15 . 1 1 90 90 GLU N N 90 120.000 120.000 122.010 -2.010 18818 8517 1 15 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.161 -0.201 18818 8518 1 15 . 1 1 90 90 GLU C C 90 179.100 179.100 178.594 0.506 18818 8519 1 15 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.261 0.939 18818 8520 1 15 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.456 -0.656 18818 8521 1 15 . 1 1 90 90 GLU H H 90 7.410 7.410 7.446 -0.036 18818 8522 1 15 . 1 1 91 91 ALA N N 91 122.400 122.400 123.132 -0.732 18818 8523 1 15 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.992 0.028 18818 8524 1 15 . 1 1 91 91 ALA C C 91 178.700 178.700 179.193 -0.493 18818 8525 1 15 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.816 -0.815 18818 8526 1 15 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.127 -0.127 18818 8527 1 15 . 1 1 91 91 ALA H H 91 7.610 7.610 7.638 -0.028 18818 8528 1 15 . 1 1 92 92 ALA N N 92 118.000 118.000 117.031 0.969 18818 8529 1 15 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.288 -0.618 18818 8530 1 15 . 1 1 92 92 ALA C C 92 177.900 177.900 177.674 0.226 18818 8531 1 15 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.294 0.606 18818 8532 1 15 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.452 -0.552 18818 8533 1 15 . 1 1 92 92 ALA H H 92 7.740 7.740 7.888 -0.148 18818 8534 1 15 . 1 1 93 93 LYS N N 93 114.600 114.600 116.294 -1.694 18818 8535 1 15 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.221 -0.451 18818 8536 1 15 . 1 1 93 93 LYS C C 93 177.000 177.000 177.441 -0.441 18818 8537 1 15 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.161 0.339 18818 8538 1 15 . 1 1 93 93 LYS CB C 93 31.800 31.800 33.027 -1.227 18818 8539 1 15 . 1 1 93 93 LYS H H 93 7.200 7.200 7.579 -0.379 18818 8540 1 15 . 1 1 94 94 SER N N 94 113.000 113.000 113.918 -0.918 18818 8541 1 15 . 1 1 94 94 SER HA H 94 4.450 4.450 4.421 0.029 18818 8542 1 15 . 1 1 94 94 SER C C 94 174.500 174.500 174.424 0.076 18818 8543 1 15 . 1 1 94 94 SER CA C 94 58.800 58.800 58.920 -0.120 18818 8544 1 15 . 1 1 94 94 SER CB C 94 63.900 63.900 64.560 -0.660 18818 8545 1 15 . 1 1 94 94 SER H H 94 7.530 7.530 7.710 -0.180 18818 8546 1 15 . 1 1 95 95 VAL N N 95 122.100 122.100 120.822 1.278 18818 8547 1 15 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.244 -0.304 18818 8548 1 15 . 1 1 95 95 VAL C C 95 175.400 175.400 173.603 1.797 18818 8549 1 15 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.781 1.419 18818 8550 1 15 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.857 -1.357 18818 8551 1 15 . 1 1 95 95 VAL H H 95 7.440 7.440 7.529 -0.089 18818 8552 1 15 . 1 1 96 96 LYS N N 96 126.300 126.300 125.575 0.725 18818 8553 1 15 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.584 -0.184 18818 8554 1 15 . 1 1 96 96 LYS C C 96 176.000 176.000 175.249 0.751 18818 8555 1 15 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.457 0.043 18818 8556 1 15 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.906 -2.406 18818 8557 1 15 . 1 1 96 96 LYS H H 96 8.470 8.470 8.115 0.355 18818 8558 1 15 . 1 1 97 97 LEU N N 97 123.400 123.400 123.835 -0.435 18818 8559 1 15 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.311 0.099 18818 8560 1 15 . 1 1 97 97 LEU C C 97 176.700 176.700 177.736 -1.036 18818 8561 1 15 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.309 -0.909 18818 8562 1 15 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.740 -0.440 18818 8563 1 15 . 1 1 97 97 LEU H H 97 8.140 8.140 8.576 -0.436 18818 8564 1 15 . 1 1 98 98 GLU N N 98 121.400 121.400 124.544 -3.144 18818 8565 1 15 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.112 0.228 18818 8566 1 15 . 1 1 98 98 GLU C C 98 175.900 175.900 176.283 -0.383 18818 8567 1 15 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.295 -1.095 18818 8568 1 15 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.835 0.265 18818 8569 1 15 . 1 1 98 98 GLU H H 98 8.320 8.320 8.498 -0.178 18818 8570 1 15 . 1 1 99 99 ARG N N 99 122.800 122.800 121.979 0.821 18818 8571 1 15 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.471 0.339 18818 8572 1 15 . 1 1 99 99 ARG C C 99 173.900 173.900 174.742 -0.842 18818 8573 1 15 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.493 -0.893 18818 8574 1 15 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.692 0.208 18818 8575 1 15 . 1 1 99 99 ARG H H 99 8.280 8.280 7.826 0.454 18818 8576 1 15 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.440 0.080 18818 8577 1 15 . 1 1 100 100 PRO C C 100 176.700 176.700 176.430 0.270 18818 8578 1 15 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.674 0.126 18818 8579 1 15 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.247 -0.547 18818 8580 1 15 . 1 1 101 101 VAL N N 101 120.500 120.500 122.458 -1.958 18818 8581 1 15 . 1 1 101 101 VAL HA H 101 4.130 4.130 3.950 0.180 18818 8582 1 15 . 1 1 101 101 VAL C C 101 176.000 176.000 176.721 -0.721 18818 8583 1 15 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.819 -0.719 18818 8584 1 15 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.754 -0.554 18818 8585 1 15 . 1 1 101 101 VAL H H 101 8.230 8.230 8.273 -0.043 18818 8586 1 15 . 1 1 102 102 ARG N N 102 124.600 124.600 125.356 -0.756 18818 8587 1 15 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.434 -0.014 18818 8588 1 15 . 1 1 102 102 ARG C C 102 176.400 176.400 176.400 0.000 18818 8589 1 15 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.765 0.135 18818 8590 1 15 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.380 -0.680 18818 8591 1 15 . 1 1 102 102 ARG H H 102 8.390 8.390 8.354 0.036 18818 8592 1 15 . 1 1 103 103 GLY N N 103 110.400 110.400 109.423 0.977 18818 8593 1 15 . 1 1 103 103 GLY C C 103 172.900 172.900 173.680 -0.780 18818 8594 1 15 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.370 0.630 18818 8595 1 15 . 1 1 103 103 GLY H H 103 8.400 8.400 7.790 0.610 18818 8596 1 16 . 1 1 5 5 ARG N N 5 124.100 124.100 121.483 2.617 18818 8597 1 16 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.488 -0.438 18818 8598 1 16 . 1 1 5 5 ARG C C 5 173.800 173.800 175.821 -2.021 18818 8599 1 16 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.942 0.058 18818 8600 1 16 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.294 -0.594 18818 8601 1 16 . 1 1 5 5 ARG H H 5 8.570 8.570 8.050 0.520 18818 8602 1 16 . 1 1 6 6 SER N N 6 117.500 117.500 114.680 2.820 18818 8603 1 16 . 1 1 6 6 SER HA H 6 4.510 4.510 4.687 -0.177 18818 8604 1 16 . 1 1 6 6 SER C C 6 174.100 174.100 172.676 1.424 18818 8605 1 16 . 1 1 6 6 SER CA C 6 58.000 58.000 57.672 0.328 18818 8606 1 16 . 1 1 6 6 SER CB C 6 63.700 63.700 64.451 -0.751 18818 8607 1 16 . 1 1 6 6 SER H H 6 8.370 8.370 8.411 -0.041 18818 8608 1 16 . 1 1 7 7 ALA N N 7 125.900 125.900 125.887 0.013 18818 8609 1 16 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.728 -0.328 18818 8610 1 16 . 1 1 7 7 ALA C C 7 177.200 177.200 176.178 1.022 18818 8611 1 16 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.179 0.421 18818 8612 1 16 . 1 1 7 7 ALA CB C 7 19.000 19.000 20.586 -1.586 18818 8613 1 16 . 1 1 7 7 ALA H H 7 8.410 8.410 8.540 -0.130 18818 8614 1 16 . 1 1 8 8 ASN N N 8 117.400 117.400 118.586 -1.186 18818 8615 1 16 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.750 0.020 18818 8616 1 16 . 1 1 8 8 ASN C C 8 174.900 174.900 175.873 -0.973 18818 8617 1 16 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.665 -0.765 18818 8618 1 16 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.433 -0.633 18818 8619 1 16 . 1 1 8 8 ASN H H 8 8.360 8.360 8.575 -0.215 18818 8620 1 16 . 1 1 9 9 ALA N N 9 124.400 124.400 121.778 2.622 18818 8621 1 16 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.606 -0.256 18818 8622 1 16 . 1 1 9 9 ALA C C 9 177.800 177.800 177.480 0.320 18818 8623 1 16 . 1 1 9 9 ALA CA C 9 52.700 52.700 52.547 0.153 18818 8624 1 16 . 1 1 9 9 ALA CB C 9 18.900 18.900 20.140 -1.240 18818 8625 1 16 . 1 1 9 9 ALA H H 9 8.270 8.270 7.902 0.368 18818 8626 1 16 . 1 1 10 10 GLU N N 10 119.300 119.300 117.706 1.594 18818 8627 1 16 . 1 1 10 10 GLU HA H 10 4.310 4.310 3.860 0.450 18818 8628 1 16 . 1 1 10 10 GLU C C 10 176.400 176.400 177.884 -1.484 18818 8629 1 16 . 1 1 10 10 GLU CA C 10 56.900 56.900 59.213 -2.313 18818 8630 1 16 . 1 1 10 10 GLU CB C 10 29.600 29.600 28.167 1.433 18818 8631 1 16 . 1 1 10 10 GLU H H 10 8.470 8.470 8.913 -0.443 18818 8632 1 16 . 1 1 11 11 ASP N N 11 120.600 120.600 119.638 0.962 18818 8633 1 16 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.665 -0.055 18818 8634 1 16 . 1 1 11 11 ASP C C 11 176.100 176.100 175.615 0.485 18818 8635 1 16 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.794 0.506 18818 8636 1 16 . 1 1 11 11 ASP CB C 11 40.800 40.800 42.376 -1.576 18818 8637 1 16 . 1 1 11 11 ASP H H 11 8.200 8.200 8.087 0.113 18818 8638 1 16 . 1 1 12 12 ALA N N 12 123.800 123.800 122.908 0.892 18818 8639 1 16 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.245 0.845 18818 8640 1 16 . 1 1 12 12 ALA C C 12 177.800 177.800 175.896 1.904 18818 8641 1 16 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.577 -0.077 18818 8642 1 16 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.037 1.763 18818 8643 1 16 . 1 1 12 12 ALA H H 12 8.070 8.070 7.737 0.333 18818 8644 1 16 . 1 1 13 13 GLN N N 13 118.500 118.500 117.371 1.129 18818 8645 1 16 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.364 -0.094 18818 8646 1 16 . 1 1 13 13 GLN C C 13 175.700 175.700 176.448 -0.748 18818 8647 1 16 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.055 -0.155 18818 8648 1 16 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.492 -0.392 18818 8649 1 16 . 1 1 13 13 GLN H H 13 8.230 8.230 8.239 -0.009 18818 8650 1 16 . 1 1 14 14 GLU N N 14 120.600 120.600 119.433 1.167 18818 8651 1 16 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.316 -0.016 18818 8652 1 16 . 1 1 14 14 GLU C C 14 175.800 175.800 176.548 -0.748 18818 8653 1 16 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.668 -0.868 18818 8654 1 16 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.555 0.345 18818 8655 1 16 . 1 1 14 14 GLU H H 14 8.100 8.100 8.341 -0.241 18818 8656 1 16 . 1 1 15 15 PHE N N 15 121.100 121.100 120.116 0.984 18818 8657 1 16 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.765 0.115 18818 8658 1 16 . 1 1 15 15 PHE C C 15 176.900 176.900 176.995 -0.095 18818 8659 1 16 . 1 1 15 15 PHE CA C 15 55.300 55.300 54.931 0.368 18818 8660 1 16 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.565 -0.265 18818 8661 1 16 . 1 1 15 15 PHE H H 15 8.030 8.030 7.444 0.586 18818 8662 1 16 . 1 1 16 16 SER N N 16 119.400 119.400 117.374 2.026 18818 8663 1 16 . 1 1 16 16 SER HA H 16 4.850 4.850 4.404 0.446 18818 8664 1 16 . 1 1 16 16 SER C C 16 174.800 174.800 175.632 -0.832 18818 8665 1 16 . 1 1 16 16 SER CA C 16 57.000 57.000 58.609 -1.609 18818 8666 1 16 . 1 1 16 16 SER CB C 16 65.600 65.600 64.408 1.192 18818 8667 1 16 . 1 1 16 16 SER H H 16 9.530 9.530 8.620 0.910 18818 8668 1 16 . 1 1 17 17 ASP N N 17 121.300 121.300 120.996 0.304 18818 8669 1 16 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.498 0.052 18818 8670 1 16 . 1 1 17 17 ASP C C 17 179.700 179.700 177.045 2.655 18818 8671 1 16 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.203 0.797 18818 8672 1 16 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.419 -0.919 18818 8673 1 16 . 1 1 17 17 ASP H H 17 9.270 9.270 8.930 0.340 18818 8674 1 16 . 1 1 18 18 VAL N N 18 120.600 120.600 119.470 1.130 18818 8675 1 16 . 1 1 18 18 VAL HA H 18 3.680 3.680 4.125 -0.445 18818 8676 1 16 . 1 1 18 18 VAL C C 18 176.900 176.900 176.886 0.014 18818 8677 1 16 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.188 2.312 18818 8678 1 16 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.738 -0.838 18818 8679 1 16 . 1 1 18 18 VAL H H 18 8.230 8.230 7.591 0.639 18818 8680 1 16 . 1 1 19 19 GLU N N 19 121.000 121.000 120.307 0.693 18818 8681 1 16 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.049 -0.309 18818 8682 1 16 . 1 1 19 19 GLU C C 19 178.600 178.600 178.914 -0.314 18818 8683 1 16 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.684 0.316 18818 8684 1 16 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.711 -1.011 18818 8685 1 16 . 1 1 19 19 GLU H H 19 8.180 8.180 7.948 0.232 18818 8686 1 16 . 1 1 20 20 ARG N N 20 118.100 118.100 117.821 0.279 18818 8687 1 16 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.445 -0.145 18818 8688 1 16 . 1 1 20 20 ARG C C 20 178.700 178.700 177.927 0.773 18818 8689 1 16 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.785 0.315 18818 8690 1 16 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.921 -0.221 18818 8691 1 16 . 1 1 20 20 ARG H H 20 8.920 8.920 8.482 0.438 18818 8692 1 16 . 1 1 21 21 ALA N N 21 123.800 123.800 123.331 0.469 18818 8693 1 16 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.153 0.267 18818 8694 1 16 . 1 1 21 21 ALA C C 21 179.300 179.300 179.584 -0.284 18818 8695 1 16 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.985 0.215 18818 8696 1 16 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.480 -0.580 18818 8697 1 16 . 1 1 21 21 ALA H H 21 8.060 8.060 7.785 0.275 18818 8698 1 16 . 1 1 22 22 ILE N N 22 118.200 118.200 118.780 -0.580 18818 8699 1 16 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.729 -0.009 18818 8700 1 16 . 1 1 22 22 ILE C C 22 177.500 177.500 177.970 -0.470 18818 8701 1 16 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.631 0.369 18818 8702 1 16 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.649 -0.249 18818 8703 1 16 . 1 1 22 22 ILE H H 22 8.010 8.010 7.688 0.322 18818 8704 1 16 . 1 1 23 23 GLU N N 23 120.100 120.100 120.093 0.007 18818 8705 1 16 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.130 -0.170 18818 8706 1 16 . 1 1 23 23 GLU C C 23 178.000 178.000 179.135 -1.135 18818 8707 1 16 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.933 0.367 18818 8708 1 16 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.402 0.098 18818 8709 1 16 . 1 1 23 23 GLU H H 23 8.450 8.450 7.914 0.536 18818 8710 1 16 . 1 1 24 24 THR N N 24 117.300 117.300 116.107 1.193 18818 8711 1 16 . 1 1 24 24 THR HA H 24 4.010 4.010 4.170 -0.160 18818 8712 1 16 . 1 1 24 24 THR C C 24 177.000 177.000 176.912 0.088 18818 8713 1 16 . 1 1 24 24 THR CA C 24 67.100 67.100 66.490 0.610 18818 8714 1 16 . 1 1 24 24 THR CB C 24 68.200 68.200 68.939 -0.739 18818 8715 1 16 . 1 1 24 24 THR H H 24 8.720 8.720 7.955 0.765 18818 8716 1 16 . 1 1 25 25 LEU N N 25 123.400 123.400 120.960 2.440 18818 8717 1 16 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.459 -0.179 18818 8718 1 16 . 1 1 25 25 LEU C C 25 178.200 178.200 178.206 -0.006 18818 8719 1 16 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.040 1.260 18818 8720 1 16 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.874 -0.174 18818 8721 1 16 . 1 1 25 25 LEU H H 25 8.150 8.150 7.702 0.448 18818 8722 1 16 . 1 1 26 26 ILE N N 26 119.500 119.500 120.053 -0.553 18818 8723 1 16 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.971 0.029 18818 8724 1 16 . 1 1 26 26 ILE C C 26 177.900 177.900 178.274 -0.374 18818 8725 1 16 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.681 0.419 18818 8726 1 16 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.142 -0.842 18818 8727 1 16 . 1 1 26 26 ILE H H 26 8.510 8.510 8.167 0.343 18818 8728 1 16 . 1 1 27 27 LYS N N 27 120.500 120.500 120.442 0.058 18818 8729 1 16 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.160 -0.010 18818 8730 1 16 . 1 1 27 27 LYS C C 27 179.600 179.600 178.917 0.683 18818 8731 1 16 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.668 0.432 18818 8732 1 16 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.464 0.536 18818 8733 1 16 . 1 1 27 27 LYS H H 27 9.000 9.000 8.527 0.473 18818 8734 1 16 . 1 1 28 28 ASN N N 28 117.300 117.300 117.514 -0.214 18818 8735 1 16 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.641 -0.081 18818 8736 1 16 . 1 1 28 28 ASN C C 28 176.000 176.000 177.525 -1.525 18818 8737 1 16 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.398 1.302 18818 8738 1 16 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.682 1.618 18818 8739 1 16 . 1 1 28 28 ASN H H 28 7.990 7.990 7.755 0.235 18818 8740 1 16 . 1 1 29 29 PHE N N 29 119.100 119.100 122.145 -3.045 18818 8741 1 16 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.727 0.183 18818 8742 1 16 . 1 1 29 29 PHE C C 29 176.200 176.200 176.892 -0.692 18818 8743 1 16 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.769 -0.569 18818 8744 1 16 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.776 -0.176 18818 8745 1 16 . 1 1 29 29 PHE H H 29 7.990 7.990 8.198 -0.208 18818 8746 1 16 . 1 1 30 30 HIS N N 30 114.700 114.700 117.231 -2.531 18818 8747 1 16 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.114 0.206 18818 8748 1 16 . 1 1 30 30 HIS C C 30 177.400 177.400 177.430 -0.030 18818 8749 1 16 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.795 -1.295 18818 8750 1 16 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.677 -0.077 18818 8751 1 16 . 1 1 30 30 HIS H H 30 8.180 8.180 7.695 0.485 18818 8752 1 16 . 1 1 31 31 GLN N N 31 118.500 118.500 117.943 0.557 18818 8753 1 16 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.045 0.035 18818 8754 1 16 . 1 1 31 31 GLN C C 31 176.600 176.600 177.775 -1.175 18818 8755 1 16 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.310 -0.510 18818 8756 1 16 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.820 -0.420 18818 8757 1 16 . 1 1 31 31 GLN H H 31 8.280 8.280 8.124 0.156 18818 8758 1 16 . 1 1 32 32 TYR N N 32 115.700 115.700 117.410 -1.710 18818 8759 1 16 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.369 -0.159 18818 8760 1 16 . 1 1 32 32 TYR C C 32 174.800 174.800 176.164 -1.364 18818 8761 1 16 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.844 -0.144 18818 8762 1 16 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.426 -0.726 18818 8763 1 16 . 1 1 32 32 TYR H H 32 7.410 7.410 7.639 -0.229 18818 8764 1 16 . 1 1 33 33 SER N N 33 114.000 114.000 115.044 -1.044 18818 8765 1 16 . 1 1 33 33 SER HA H 33 4.530 4.530 4.347 0.183 18818 8766 1 16 . 1 1 33 33 SER C C 33 175.000 175.000 174.159 0.841 18818 8767 1 16 . 1 1 33 33 SER CA C 33 57.200 57.200 57.449 -0.249 18818 8768 1 16 . 1 1 33 33 SER CB C 33 63.200 63.200 60.977 2.223 18818 8769 1 16 . 1 1 33 33 SER H H 33 7.260 7.260 7.705 -0.445 18818 8770 1 16 . 1 1 34 34 VAL N N 34 126.600 126.600 125.335 1.265 18818 8771 1 16 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.937 0.073 18818 8772 1 16 . 1 1 34 34 VAL C C 34 177.800 177.800 176.687 1.113 18818 8773 1 16 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.187 0.213 18818 8774 1 16 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.219 -0.119 18818 8775 1 16 . 1 1 34 34 VAL H H 34 8.490 8.490 7.796 0.694 18818 8776 1 16 . 1 1 35 35 GLU N N 35 122.100 122.100 117.725 4.375 18818 8777 1 16 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.350 -0.100 18818 8778 1 16 . 1 1 35 35 GLU C C 35 177.800 177.800 177.354 0.446 18818 8779 1 16 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.509 0.991 18818 8780 1 16 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.763 -0.963 18818 8781 1 16 . 1 1 35 35 GLU H H 35 8.980 8.980 8.621 0.359 18818 8782 1 16 . 1 1 36 36 GLY N N 36 108.500 108.500 107.276 1.224 18818 8783 1 16 . 1 1 36 36 GLY C C 36 175.000 175.000 175.263 -0.263 18818 8784 1 16 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.030 0.270 18818 8785 1 16 . 1 1 36 36 GLY H H 36 8.490 8.490 7.952 0.538 18818 8786 1 16 . 1 1 37 37 GLY N N 37 108.700 108.700 106.643 2.057 18818 8787 1 16 . 1 1 37 37 GLY C C 37 174.100 174.100 175.398 -1.298 18818 8788 1 16 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.453 1.347 18818 8789 1 16 . 1 1 37 37 GLY H H 37 8.140 8.140 8.418 -0.278 18818 8790 1 16 . 1 1 38 38 LYS N N 38 118.000 118.000 117.181 0.819 18818 8791 1 16 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.748 0.722 18818 8792 1 16 . 1 1 38 38 LYS C C 38 176.000 176.000 176.368 -0.368 18818 8793 1 16 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.091 -2.991 18818 8794 1 16 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.177 1.523 18818 8795 1 16 . 1 1 38 38 LYS H H 38 8.050 8.050 7.773 0.277 18818 8796 1 16 . 1 1 39 39 GLU N N 39 118.100 118.100 117.256 0.844 18818 8797 1 16 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.290 0.270 18818 8798 1 16 . 1 1 39 39 GLU C C 39 175.600 175.600 176.304 -0.704 18818 8799 1 16 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.492 -0.692 18818 8800 1 16 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.498 -0.298 18818 8801 1 16 . 1 1 39 39 GLU H H 39 8.630 8.630 8.083 0.547 18818 8802 1 16 . 1 1 40 40 THR N N 40 108.100 108.100 106.604 1.496 18818 8803 1 16 . 1 1 40 40 THR HA H 40 5.160 5.160 4.891 0.269 18818 8804 1 16 . 1 1 40 40 THR C C 40 173.400 173.400 172.357 1.043 18818 8805 1 16 . 1 1 40 40 THR CA C 40 59.300 59.300 59.497 -0.197 18818 8806 1 16 . 1 1 40 40 THR CB C 40 72.100 72.100 70.834 1.266 18818 8807 1 16 . 1 1 40 40 THR H H 40 7.490 7.490 7.618 -0.128 18818 8808 1 16 . 1 1 41 41 LEU N N 41 120.700 120.700 120.822 -0.122 18818 8809 1 16 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.628 0.412 18818 8810 1 16 . 1 1 41 41 LEU C C 41 177.000 177.000 175.337 1.663 18818 8811 1 16 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.717 -0.417 18818 8812 1 16 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.475 -1.175 18818 8813 1 16 . 1 1 41 41 LEU H H 41 8.660 8.660 8.514 0.146 18818 8814 1 16 . 1 1 42 42 THR N N 42 113.500 113.500 109.750 3.750 18818 8815 1 16 . 1 1 42 42 THR HA H 42 5.000 5.000 4.987 0.013 18818 8816 1 16 . 1 1 42 42 THR C C 42 174.100 174.100 173.236 0.864 18818 8817 1 16 . 1 1 42 42 THR CA C 42 59.800 59.800 58.972 0.828 18818 8818 1 16 . 1 1 42 42 THR CB C 42 68.100 68.100 69.844 -1.744 18818 8819 1 16 . 1 1 42 42 THR H H 42 9.130 9.130 7.832 1.298 18818 8820 1 16 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.257 -0.107 18818 8821 1 16 . 1 1 43 43 PRO C C 43 178.600 178.600 178.932 -0.332 18818 8822 1 16 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.972 0.228 18818 8823 1 16 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.838 -0.138 18818 8824 1 16 . 1 1 44 44 SER N N 44 111.600 111.600 112.931 -1.331 18818 8825 1 16 . 1 1 44 44 SER HA H 44 4.170 4.170 4.312 -0.142 18818 8826 1 16 . 1 1 44 44 SER C C 44 176.200 176.200 176.334 -0.134 18818 8827 1 16 . 1 1 44 44 SER CA C 44 61.500 61.500 62.236 -0.736 18818 8828 1 16 . 1 1 44 44 SER CB C 44 62.200 62.200 62.745 -0.545 18818 8829 1 16 . 1 1 44 44 SER H H 44 8.090 8.090 8.672 -0.582 18818 8830 1 16 . 1 1 45 45 GLU N N 45 123.900 123.900 122.201 1.699 18818 8831 1 16 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.256 0.004 18818 8832 1 16 . 1 1 45 45 GLU C C 45 179.000 179.000 178.431 0.569 18818 8833 1 16 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.328 0.772 18818 8834 1 16 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.298 0.402 18818 8835 1 16 . 1 1 45 45 GLU H H 45 7.700 7.700 7.991 -0.291 18818 8836 1 16 . 1 1 46 46 LEU N N 46 118.900 118.900 122.629 -3.729 18818 8837 1 16 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.004 0.076 18818 8838 1 16 . 1 1 46 46 LEU C C 46 177.600 177.600 178.760 -1.160 18818 8839 1 16 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.197 -0.897 18818 8840 1 16 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.983 -1.083 18818 8841 1 16 . 1 1 46 46 LEU H H 46 8.400 8.400 7.926 0.474 18818 8842 1 16 . 1 1 47 47 ARG N N 47 119.300 119.300 118.185 1.115 18818 8843 1 16 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.898 -0.128 18818 8844 1 16 . 1 1 47 47 ARG C C 47 178.900 178.900 178.685 0.215 18818 8845 1 16 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.729 0.271 18818 8846 1 16 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.834 -0.834 18818 8847 1 16 . 1 1 47 47 ARG H H 47 8.260 8.260 8.082 0.178 18818 8848 1 16 . 1 1 48 48 ASP N N 48 122.300 122.300 119.801 2.499 18818 8849 1 16 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.447 -0.017 18818 8850 1 16 . 1 1 48 48 ASP C C 48 176.700 176.700 178.416 -1.716 18818 8851 1 16 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.682 -0.182 18818 8852 1 16 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.057 -1.657 18818 8853 1 16 . 1 1 48 48 ASP H H 48 8.160 8.160 7.930 0.230 18818 8854 1 16 . 1 1 49 49 LEU N N 49 122.600 122.600 118.390 4.210 18818 8855 1 16 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.986 -0.816 18818 8856 1 16 . 1 1 49 49 LEU C C 49 179.100 179.100 178.430 0.670 18818 8857 1 16 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.276 1.724 18818 8858 1 16 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.157 0.143 18818 8859 1 16 . 1 1 49 49 LEU H H 49 7.980 7.980 7.555 0.425 18818 8860 1 16 . 1 1 50 50 VAL N N 50 118.200 118.200 120.457 -2.257 18818 8861 1 16 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.652 -0.102 18818 8862 1 16 . 1 1 50 50 VAL C C 50 178.800 178.800 178.445 0.355 18818 8863 1 16 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.808 -0.409 18818 8864 1 16 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.870 0.630 18818 8865 1 16 . 1 1 50 50 VAL H H 50 8.390 8.390 7.928 0.462 18818 8866 1 16 . 1 1 51 51 THR N N 51 115.000 115.000 113.922 1.078 18818 8867 1 16 . 1 1 51 51 THR HA H 51 3.990 3.990 4.110 -0.120 18818 8868 1 16 . 1 1 51 51 THR C C 51 176.000 176.000 176.341 -0.341 18818 8869 1 16 . 1 1 51 51 THR CA C 51 65.800 65.800 64.854 0.946 18818 8870 1 16 . 1 1 51 51 THR CB C 51 68.900 68.900 68.650 0.250 18818 8871 1 16 . 1 1 51 51 THR H H 51 8.480 8.480 8.083 0.397 18818 8872 1 16 . 1 1 52 52 GLN N N 52 116.400 116.400 119.243 -2.843 18818 8873 1 16 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.288 -0.038 18818 8874 1 16 . 1 1 52 52 GLN C C 52 178.300 178.300 177.332 0.968 18818 8875 1 16 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.109 -0.309 18818 8876 1 16 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.506 -1.006 18818 8877 1 16 . 1 1 52 52 GLN H H 52 8.180 8.180 8.267 -0.087 18818 8878 1 16 . 1 1 53 53 GLN N N 53 112.100 112.100 114.754 -2.654 18818 8879 1 16 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.562 0.288 18818 8880 1 16 . 1 1 53 53 GLN C C 53 176.900 176.900 176.000 0.900 18818 8881 1 16 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.030 -1.030 18818 8882 1 16 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.207 -2.807 18818 8883 1 16 . 1 1 53 53 GLN H H 53 8.490 8.490 7.996 0.494 18818 8884 1 16 . 1 1 54 54 LEU N N 54 119.800 119.800 120.646 -0.846 18818 8885 1 16 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.879 0.371 18818 8886 1 16 . 1 1 54 54 LEU C C 54 176.900 176.900 174.997 1.903 18818 8887 1 16 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.431 1.469 18818 8888 1 16 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.677 0.423 18818 8889 1 16 . 1 1 54 54 LEU H H 54 7.920 7.920 7.346 0.574 18818 8890 1 16 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.315 0.155 18818 8891 1 16 . 1 1 55 55 PRO C C 55 178.300 178.300 177.328 0.972 18818 8892 1 16 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.523 0.777 18818 8893 1 16 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.778 -1.078 18818 8894 1 16 . 1 1 56 56 HIS N N 56 116.500 116.500 116.143 0.357 18818 8895 1 16 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.544 0.046 18818 8896 1 16 . 1 1 56 56 HIS C C 56 176.300 176.300 176.529 -0.229 18818 8897 1 16 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.741 0.059 18818 8898 1 16 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.452 -1.152 18818 8899 1 16 . 1 1 56 56 HIS H H 56 9.770 9.770 8.200 1.570 18818 8900 1 16 . 1 1 57 57 LEU N N 57 116.600 116.600 119.105 -2.505 18818 8901 1 16 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.285 0.045 18818 8902 1 16 . 1 1 57 57 LEU C C 57 176.400 176.400 176.580 -0.180 18818 8903 1 16 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.751 -0.351 18818 8904 1 16 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.091 0.409 18818 8905 1 16 . 1 1 57 57 LEU H H 57 7.830 7.830 8.170 -0.340 18818 8906 1 16 . 1 1 58 58 MET N N 58 118.000 118.000 115.933 2.067 18818 8907 1 16 . 1 1 58 58 MET HA H 58 4.540 4.540 4.827 -0.287 18818 8908 1 16 . 1 1 58 58 MET C C 58 171.600 171.600 173.169 -1.569 18818 8909 1 16 . 1 1 58 58 MET CA C 58 53.500 53.500 52.680 0.820 18818 8910 1 16 . 1 1 58 58 MET CB C 58 32.700 32.700 35.016 -2.316 18818 8911 1 16 . 1 1 58 58 MET H H 58 7.970 7.970 7.678 0.292 18818 8912 1 16 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.761 -0.311 18818 8913 1 16 . 1 1 59 59 PRO C C 59 177.400 177.400 176.861 0.539 18818 8914 1 16 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.166 0.934 18818 8915 1 16 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.720 -0.820 18818 8916 1 16 . 1 1 60 60 SER N N 60 114.900 114.900 119.067 -4.167 18818 8917 1 16 . 1 1 60 60 SER HA H 60 4.340 4.340 4.282 0.058 18818 8918 1 16 . 1 1 60 60 SER C C 60 174.700 174.700 175.832 -1.132 18818 8919 1 16 . 1 1 60 60 SER CA C 60 59.100 59.100 59.182 -0.082 18818 8920 1 16 . 1 1 60 60 SER CB C 60 63.200 63.200 63.556 -0.356 18818 8921 1 16 . 1 1 60 60 SER H H 60 8.360 8.360 8.602 -0.242 18818 8922 1 16 . 1 1 61 61 ASN N N 61 120.800 120.800 118.554 2.246 18818 8923 1 16 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.416 0.394 18818 8924 1 16 . 1 1 61 61 ASN C C 61 175.500 175.500 174.712 0.788 18818 8925 1 16 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.267 -2.267 18818 8926 1 16 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.067 -0.167 18818 8927 1 16 . 1 1 61 61 ASN H H 61 7.990 7.990 9.078 -1.088 18818 8928 1 16 . 1 1 62 62 CYS N N 62 117.800 117.800 116.042 1.758 18818 8929 1 16 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.633 -0.043 18818 8930 1 16 . 1 1 62 62 CYS C C 62 175.300 175.300 176.213 -0.913 18818 8931 1 16 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.921 -1.721 18818 8932 1 16 . 1 1 62 62 CYS CB C 62 27.400 27.400 30.253 -2.853 18818 8933 1 16 . 1 1 62 62 CYS H H 62 8.260 8.260 7.819 0.441 18818 8934 1 16 . 1 1 63 63 GLY N N 63 111.300 111.300 108.864 2.436 18818 8935 1 16 . 1 1 63 63 GLY C C 63 175.600 175.600 175.781 -0.181 18818 8936 1 16 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.575 -1.274 18818 8937 1 16 . 1 1 63 63 GLY H H 63 8.520 8.520 8.362 0.158 18818 8938 1 16 . 1 1 64 64 LEU N N 64 122.400 122.400 118.370 4.030 18818 8939 1 16 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.229 -0.179 18818 8940 1 16 . 1 1 64 64 LEU C C 64 177.900 177.900 178.157 -0.257 18818 8941 1 16 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.348 0.252 18818 8942 1 16 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.242 0.758 18818 8943 1 16 . 1 1 64 64 LEU H H 64 7.910 7.910 7.499 0.411 18818 8944 1 16 . 1 1 65 65 GLU N N 65 117.900 117.900 117.627 0.273 18818 8945 1 16 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.151 -0.241 18818 8946 1 16 . 1 1 65 65 GLU C C 65 179.100 179.100 178.156 0.944 18818 8947 1 16 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.002 1.998 18818 8948 1 16 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.486 -1.086 18818 8949 1 16 . 1 1 65 65 GLU H H 65 8.660 8.660 7.754 0.906 18818 8950 1 16 . 1 1 66 66 GLU N N 66 120.000 120.000 121.002 -1.002 18818 8951 1 16 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.024 0.096 18818 8952 1 16 . 1 1 66 66 GLU C C 66 178.200 178.200 178.564 -0.364 18818 8953 1 16 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.275 -0.175 18818 8954 1 16 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.529 -0.429 18818 8955 1 16 . 1 1 66 66 GLU H H 66 8.220 8.220 8.721 -0.501 18818 8956 1 16 . 1 1 67 67 LYS N N 67 119.300 119.300 117.971 1.329 18818 8957 1 16 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.037 0.103 18818 8958 1 16 . 1 1 67 67 LYS C C 67 179.400 179.400 178.912 0.488 18818 8959 1 16 . 1 1 67 67 LYS CA C 67 58.900 58.900 59.018 -0.118 18818 8960 1 16 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.962 0.138 18818 8961 1 16 . 1 1 67 67 LYS H H 67 7.780 7.780 7.480 0.300 18818 8962 1 16 . 1 1 68 68 ILE N N 68 118.400 118.400 119.119 -0.719 18818 8963 1 16 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.851 -0.131 18818 8964 1 16 . 1 1 68 68 ILE C C 68 177.800 177.800 177.651 0.149 18818 8965 1 16 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.230 0.270 18818 8966 1 16 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.532 -0.232 18818 8967 1 16 . 1 1 68 68 ILE H H 68 8.230 8.230 7.245 0.985 18818 8968 1 16 . 1 1 69 69 ALA N N 69 122.900 122.900 121.435 1.465 18818 8969 1 16 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.062 0.158 18818 8970 1 16 . 1 1 69 69 ALA C C 69 179.600 179.600 178.985 0.615 18818 8971 1 16 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.827 -0.427 18818 8972 1 16 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.022 -0.122 18818 8973 1 16 . 1 1 69 69 ALA H H 69 8.070 8.070 8.155 -0.085 18818 8974 1 16 . 1 1 70 70 ASN N N 70 115.400 115.400 116.276 -0.876 18818 8975 1 16 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.623 0.247 18818 8976 1 16 . 1 1 70 70 ASN C C 70 176.500 176.500 176.964 -0.464 18818 8977 1 16 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.304 -1.004 18818 8978 1 16 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.501 -0.801 18818 8979 1 16 . 1 1 70 70 ASN H H 70 7.880 7.880 7.835 0.045 18818 8980 1 16 . 1 1 71 71 LEU N N 71 120.600 120.600 115.830 4.770 18818 8981 1 16 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.639 -0.309 18818 8982 1 16 . 1 1 71 71 LEU C C 71 178.300 178.300 177.268 1.032 18818 8983 1 16 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.644 1.657 18818 8984 1 16 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.364 -0.064 18818 8985 1 16 . 1 1 71 71 LEU H H 71 7.820 7.820 7.679 0.141 18818 8986 1 16 . 1 1 72 72 GLY N N 72 106.800 106.800 107.855 -1.055 18818 8987 1 16 . 1 1 72 72 GLY C C 72 174.400 174.400 174.266 0.134 18818 8988 1 16 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.430 1.270 18818 8989 1 16 . 1 1 72 72 GLY H H 72 8.240 8.240 7.902 0.338 18818 8990 1 16 . 1 1 73 73 SER N N 73 115.600 115.600 116.209 -0.609 18818 8991 1 16 . 1 1 73 73 SER HA H 73 4.570 4.570 4.329 0.241 18818 8992 1 16 . 1 1 73 73 SER C C 73 175.000 175.000 174.747 0.253 18818 8993 1 16 . 1 1 73 73 SER CA C 73 58.900 58.900 58.751 0.149 18818 8994 1 16 . 1 1 73 73 SER CB C 73 63.600 63.600 63.462 0.137 18818 8995 1 16 . 1 1 73 73 SER H H 73 8.220 8.220 8.523 -0.303 18818 8996 1 16 . 1 1 74 74 CYS N N 74 119.300 119.300 121.441 -2.141 18818 8997 1 16 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.507 0.143 18818 8998 1 16 . 1 1 74 74 CYS C C 74 174.500 174.500 175.634 -1.134 18818 8999 1 16 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.943 -0.243 18818 9000 1 16 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.090 -1.390 18818 9001 1 16 . 1 1 74 74 CYS H H 74 8.260 8.260 7.810 0.450 18818 9002 1 16 . 1 1 75 75 ASN N N 75 120.000 120.000 126.265 -6.265 18818 9003 1 16 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.681 0.159 18818 9004 1 16 . 1 1 75 75 ASN C C 75 174.700 174.700 176.231 -1.531 18818 9005 1 16 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.159 -1.359 18818 9006 1 16 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.645 0.255 18818 9007 1 16 . 1 1 75 75 ASN H H 75 8.430 8.430 8.998 -0.568 18818 9008 1 16 . 1 1 76 76 ASP N N 76 119.200 119.200 119.530 -0.330 18818 9009 1 16 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.683 -0.013 18818 9010 1 16 . 1 1 76 76 ASP C C 76 175.500 175.500 176.442 -0.942 18818 9011 1 16 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.202 -0.802 18818 9012 1 16 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.229 0.371 18818 9013 1 16 . 1 1 76 76 ASP H H 76 8.300 8.300 8.167 0.133 18818 9014 1 16 . 1 1 77 77 SER N N 77 112.800 112.800 113.689 -0.889 18818 9015 1 16 . 1 1 77 77 SER HA H 77 4.260 4.260 4.444 -0.184 18818 9016 1 16 . 1 1 77 77 SER C C 77 173.300 173.300 173.776 -0.476 18818 9017 1 16 . 1 1 77 77 SER CA C 77 59.000 59.000 58.656 0.344 18818 9018 1 16 . 1 1 77 77 SER CB C 77 63.100 63.100 63.322 -0.222 18818 9019 1 16 . 1 1 77 77 SER H H 77 8.220 8.220 7.541 0.679 18818 9020 1 16 . 1 1 78 78 LYS N N 78 120.600 120.600 118.640 1.960 18818 9021 1 16 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.924 0.636 18818 9022 1 16 . 1 1 78 78 LYS C C 78 175.300 175.300 176.124 -0.824 18818 9023 1 16 . 1 1 78 78 LYS CA C 78 55.600 55.600 56.912 -1.312 18818 9024 1 16 . 1 1 78 78 LYS CB C 78 33.300 33.300 30.314 2.986 18818 9025 1 16 . 1 1 78 78 LYS H H 78 7.930 7.930 7.491 0.439 18818 9026 1 16 . 1 1 79 79 LEU N N 79 123.700 123.700 123.658 0.042 18818 9027 1 16 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.304 0.476 18818 9028 1 16 . 1 1 79 79 LEU C C 79 176.100 176.100 176.890 -0.790 18818 9029 1 16 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.812 -1.612 18818 9030 1 16 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.913 -0.913 18818 9031 1 16 . 1 1 79 79 LEU H H 79 9.020 9.020 8.586 0.434 18818 9032 1 16 . 1 1 80 80 GLU N N 80 121.200 121.200 118.394 2.806 18818 9033 1 16 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.941 -0.041 18818 9034 1 16 . 1 1 80 80 GLU C C 80 177.100 177.100 176.945 0.155 18818 9035 1 16 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.466 0.734 18818 9036 1 16 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.118 -0.518 18818 9037 1 16 . 1 1 80 80 GLU H H 80 8.630 8.630 8.124 0.506 18818 9038 1 16 . 1 1 81 81 PHE N N 81 123.500 123.500 124.772 -1.272 18818 9039 1 16 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.129 0.401 18818 9040 1 16 . 1 1 81 81 PHE C C 81 177.000 177.000 176.206 0.794 18818 9041 1 16 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.323 -0.023 18818 9042 1 16 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.931 -0.431 18818 9043 1 16 . 1 1 81 81 PHE H H 81 9.360 9.360 8.605 0.755 18818 9044 1 16 . 1 1 82 82 ARG N N 82 116.500 116.500 118.611 -2.111 18818 9045 1 16 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.065 -0.025 18818 9046 1 16 . 1 1 82 82 ARG C C 82 178.000 178.000 178.265 -0.265 18818 9047 1 16 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.891 0.309 18818 9048 1 16 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.299 -0.098 18818 9049 1 16 . 1 1 82 82 ARG H H 82 8.940 8.940 8.715 0.225 18818 9050 1 16 . 1 1 83 83 SER N N 83 115.700 115.700 114.774 0.926 18818 9051 1 16 . 1 1 83 83 SER HA H 83 4.510 4.510 4.341 0.169 18818 9052 1 16 . 1 1 83 83 SER C C 83 175.800 175.800 176.743 -0.943 18818 9053 1 16 . 1 1 83 83 SER CA C 83 61.700 61.700 61.154 0.546 18818 9054 1 16 . 1 1 83 83 SER CB C 83 62.700 62.700 62.904 -0.204 18818 9055 1 16 . 1 1 83 83 SER H H 83 7.610 7.610 7.447 0.163 18818 9056 1 16 . 1 1 84 84 PHE N N 84 122.200 122.200 123.564 -1.364 18818 9057 1 16 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.242 -0.022 18818 9058 1 16 . 1 1 84 84 PHE C C 84 175.000 175.000 176.561 -1.561 18818 9059 1 16 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.258 -1.258 18818 9060 1 16 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.471 -0.271 18818 9061 1 16 . 1 1 84 84 PHE H H 84 7.490 7.490 8.215 -0.725 18818 9062 1 16 . 1 1 85 85 TRP N N 85 120.700 120.700 120.173 0.527 18818 9063 1 16 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.116 -0.356 18818 9064 1 16 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.615 -0.815 18818 9065 1 16 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.528 -0.328 18818 9066 1 16 . 1 1 85 85 TRP H H 85 8.770 8.770 8.376 0.394 18818 9067 1 16 . 1 1 86 86 GLU N N 86 119.100 119.100 117.430 1.670 18818 9068 1 16 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.874 0.206 18818 9069 1 16 . 1 1 86 86 GLU C C 86 179.100 179.100 178.829 0.271 18818 9070 1 16 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.504 -0.204 18818 9071 1 16 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.171 0.329 18818 9072 1 16 . 1 1 86 86 GLU H H 86 8.150 8.150 8.104 0.046 18818 9073 1 16 . 1 1 87 87 LEU N N 87 120.800 120.800 118.066 2.734 18818 9074 1 16 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.068 -0.018 18818 9075 1 16 . 1 1 87 87 LEU C C 87 178.900 178.900 178.414 0.486 18818 9076 1 16 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.243 1.657 18818 9077 1 16 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.905 -0.605 18818 9078 1 16 . 1 1 87 87 LEU H H 87 7.600 7.600 7.161 0.439 18818 9079 1 16 . 1 1 88 88 ILE N N 88 115.200 115.200 120.021 -4.821 18818 9080 1 16 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.482 0.098 18818 9081 1 16 . 1 1 88 88 ILE C C 88 177.300 177.300 177.489 -0.189 18818 9082 1 16 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.724 -1.724 18818 9083 1 16 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.980 -1.380 18818 9084 1 16 . 1 1 88 88 ILE H H 88 7.960 7.960 6.982 0.978 18818 9085 1 16 . 1 1 89 89 GLY N N 89 108.100 108.100 107.213 0.887 18818 9086 1 16 . 1 1 89 89 GLY C C 89 175.700 175.700 175.052 0.648 18818 9087 1 16 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.919 -1.519 18818 9088 1 16 . 1 1 89 89 GLY H H 89 7.620 7.620 7.691 -0.071 18818 9089 1 16 . 1 1 90 90 GLU N N 90 120.000 120.000 120.871 -0.871 18818 9090 1 16 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.120 -0.160 18818 9091 1 16 . 1 1 90 90 GLU C C 90 179.100 179.100 178.920 0.180 18818 9092 1 16 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.746 0.454 18818 9093 1 16 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.519 -0.719 18818 9094 1 16 . 1 1 90 90 GLU H H 90 7.410 7.410 7.412 -0.002 18818 9095 1 16 . 1 1 91 91 ALA N N 91 122.400 122.400 123.284 -0.884 18818 9096 1 16 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.941 0.079 18818 9097 1 16 . 1 1 91 91 ALA C C 91 178.700 178.700 179.341 -0.641 18818 9098 1 16 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.874 -0.874 18818 9099 1 16 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.233 -0.233 18818 9100 1 16 . 1 1 91 91 ALA H H 91 7.610 7.610 7.401 0.209 18818 9101 1 16 . 1 1 92 92 ALA N N 92 118.000 118.000 118.944 -0.944 18818 9102 1 16 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.306 -0.636 18818 9103 1 16 . 1 1 92 92 ALA C C 92 177.900 177.900 178.313 -0.413 18818 9104 1 16 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.791 0.109 18818 9105 1 16 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.500 -0.600 18818 9106 1 16 . 1 1 92 92 ALA H H 92 7.740 7.740 8.109 -0.369 18818 9107 1 16 . 1 1 93 93 LYS N N 93 114.600 114.600 117.035 -2.435 18818 9108 1 16 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.194 -0.424 18818 9109 1 16 . 1 1 93 93 LYS C C 93 177.000 177.000 177.189 -0.189 18818 9110 1 16 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.985 -0.485 18818 9111 1 16 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.233 -0.433 18818 9112 1 16 . 1 1 93 93 LYS H H 93 7.200 7.200 7.578 -0.378 18818 9113 1 16 . 1 1 94 94 SER N N 94 113.000 113.000 113.186 -0.186 18818 9114 1 16 . 1 1 94 94 SER HA H 94 4.450 4.450 4.534 -0.084 18818 9115 1 16 . 1 1 94 94 SER C C 94 174.500 174.500 173.973 0.527 18818 9116 1 16 . 1 1 94 94 SER CA C 94 58.800 58.800 58.488 0.312 18818 9117 1 16 . 1 1 94 94 SER CB C 94 63.900 63.900 65.927 -2.027 18818 9118 1 16 . 1 1 94 94 SER H H 94 7.530 7.530 7.920 -0.390 18818 9119 1 16 . 1 1 95 95 VAL N N 95 122.100 122.100 120.541 1.559 18818 9120 1 16 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.252 -0.312 18818 9121 1 16 . 1 1 95 95 VAL C C 95 175.400 175.400 173.433 1.967 18818 9122 1 16 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.641 1.559 18818 9123 1 16 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.128 -1.628 18818 9124 1 16 . 1 1 95 95 VAL H H 95 7.440 7.440 7.349 0.091 18818 9125 1 16 . 1 1 96 96 LYS N N 96 126.300 126.300 126.181 0.119 18818 9126 1 16 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.491 -0.091 18818 9127 1 16 . 1 1 96 96 LYS C C 96 176.000 176.000 175.055 0.945 18818 9128 1 16 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.784 0.716 18818 9129 1 16 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.944 -2.444 18818 9130 1 16 . 1 1 96 96 LYS H H 96 8.470 8.470 8.384 0.086 18818 9131 1 16 . 1 1 97 97 LEU N N 97 123.400 123.400 124.273 -0.873 18818 9132 1 16 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.254 0.156 18818 9133 1 16 . 1 1 97 97 LEU C C 97 176.700 176.700 177.949 -1.249 18818 9134 1 16 . 1 1 97 97 LEU CA C 97 54.400 54.400 56.152 -1.752 18818 9135 1 16 . 1 1 97 97 LEU CB C 97 42.300 42.300 41.313 0.987 18818 9136 1 16 . 1 1 97 97 LEU H H 97 8.140 8.140 8.249 -0.109 18818 9137 1 16 . 1 1 98 98 GLU N N 98 121.400 121.400 124.740 -3.340 18818 9138 1 16 . 1 1 98 98 GLU HA H 98 4.340 4.340 3.881 0.459 18818 9139 1 16 . 1 1 98 98 GLU C C 98 175.900 175.900 175.727 0.173 18818 9140 1 16 . 1 1 98 98 GLU CA C 98 56.200 56.200 58.734 -2.534 18818 9141 1 16 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.492 0.608 18818 9142 1 16 . 1 1 98 98 GLU H H 98 8.320 8.320 8.997 -0.677 18818 9143 1 16 . 1 1 99 99 ARG N N 99 122.800 122.800 120.156 2.644 18818 9144 1 16 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.685 0.125 18818 9145 1 16 . 1 1 99 99 ARG C C 99 173.900 173.900 173.935 -0.035 18818 9146 1 16 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.660 -0.060 18818 9147 1 16 . 1 1 99 99 ARG CB C 99 29.900 29.900 31.146 -1.246 18818 9148 1 16 . 1 1 99 99 ARG H H 99 8.280 8.280 8.006 0.274 18818 9149 1 16 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.491 0.029 18818 9150 1 16 . 1 1 100 100 PRO C C 100 176.700 176.700 176.017 0.683 18818 9151 1 16 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.518 0.282 18818 9152 1 16 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.401 -0.701 18818 9153 1 16 . 1 1 101 101 VAL N N 101 120.500 120.500 121.899 -1.399 18818 9154 1 16 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.071 0.059 18818 9155 1 16 . 1 1 101 101 VAL C C 101 176.000 176.000 176.402 -0.402 18818 9156 1 16 . 1 1 101 101 VAL CA C 101 62.100 62.100 63.428 -1.328 18818 9157 1 16 . 1 1 101 101 VAL CB C 101 32.200 32.200 31.765 0.435 18818 9158 1 16 . 1 1 101 101 VAL H H 101 8.230 8.230 8.415 -0.185 18818 9159 1 16 . 1 1 102 102 ARG N N 102 124.600 124.600 126.235 -1.635 18818 9160 1 16 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.601 -0.181 18818 9161 1 16 . 1 1 102 102 ARG C C 102 176.400 176.400 176.409 -0.009 18818 9162 1 16 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.710 0.190 18818 9163 1 16 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.494 -0.794 18818 9164 1 16 . 1 1 102 102 ARG H H 102 8.390 8.390 8.885 -0.495 18818 9165 1 16 . 1 1 103 103 GLY N N 103 110.400 110.400 107.777 2.623 18818 9166 1 16 . 1 1 103 103 GLY C C 103 172.900 172.900 172.689 0.211 18818 9167 1 16 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.922 0.078 18818 9168 1 16 . 1 1 103 103 GLY H H 103 8.400 8.400 8.159 0.241 18818 9169 1 17 . 1 1 5 5 ARG N N 5 124.100 124.100 122.110 1.990 18818 9170 1 17 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.315 -0.265 18818 9171 1 17 . 1 1 5 5 ARG C C 5 173.800 173.800 176.236 -2.436 18818 9172 1 17 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.651 -0.652 18818 9173 1 17 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.556 0.144 18818 9174 1 17 . 1 1 5 5 ARG H H 5 8.570 8.570 8.370 0.200 18818 9175 1 17 . 1 1 6 6 SER N N 6 117.500 117.500 115.562 1.938 18818 9176 1 17 . 1 1 6 6 SER HA H 6 4.510 4.510 4.331 0.179 18818 9177 1 17 . 1 1 6 6 SER C C 6 174.100 174.100 174.072 0.028 18818 9178 1 17 . 1 1 6 6 SER CA C 6 58.000 58.000 58.328 -0.328 18818 9179 1 17 . 1 1 6 6 SER CB C 6 63.700 63.700 63.931 -0.231 18818 9180 1 17 . 1 1 6 6 SER H H 6 8.370 8.370 7.636 0.734 18818 9181 1 17 . 1 1 7 7 ALA N N 7 125.900 125.900 127.245 -1.345 18818 9182 1 17 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.878 -0.478 18818 9183 1 17 . 1 1 7 7 ALA C C 7 177.200 177.200 176.378 0.822 18818 9184 1 17 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.489 1.111 18818 9185 1 17 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.197 -0.197 18818 9186 1 17 . 1 1 7 7 ALA H H 7 8.410 8.410 8.531 -0.121 18818 9187 1 17 . 1 1 8 8 ASN N N 8 117.400 117.400 117.979 -0.579 18818 9188 1 17 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.732 0.038 18818 9189 1 17 . 1 1 8 8 ASN C C 8 174.900 174.900 175.252 -0.352 18818 9190 1 17 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.305 -0.405 18818 9191 1 17 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.145 -1.345 18818 9192 1 17 . 1 1 8 8 ASN H H 8 8.360 8.360 8.774 -0.414 18818 9193 1 17 . 1 1 9 9 ALA N N 9 124.400 124.400 123.113 1.287 18818 9194 1 17 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.697 -0.347 18818 9195 1 17 . 1 1 9 9 ALA C C 9 177.800 177.800 177.568 0.232 18818 9196 1 17 . 1 1 9 9 ALA CA C 9 52.700 52.700 51.974 0.726 18818 9197 1 17 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.234 -0.334 18818 9198 1 17 . 1 1 9 9 ALA H H 9 8.270 8.270 8.045 0.225 18818 9199 1 17 . 1 1 10 10 GLU N N 10 119.300 119.300 119.639 -0.339 18818 9200 1 17 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.114 0.196 18818 9201 1 17 . 1 1 10 10 GLU C C 10 176.400 176.400 176.911 -0.511 18818 9202 1 17 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.299 -1.399 18818 9203 1 17 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.582 0.018 18818 9204 1 17 . 1 1 10 10 GLU H H 10 8.470 8.470 8.831 -0.361 18818 9205 1 17 . 1 1 11 11 ASP N N 11 120.600 120.600 117.335 3.265 18818 9206 1 17 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.807 -0.197 18818 9207 1 17 . 1 1 11 11 ASP C C 11 176.100 176.100 177.150 -1.050 18818 9208 1 17 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.438 -0.138 18818 9209 1 17 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.929 -1.129 18818 9210 1 17 . 1 1 11 11 ASP H H 11 8.200 8.200 8.334 -0.134 18818 9211 1 17 . 1 1 12 12 ALA N N 12 123.800 123.800 122.180 1.620 18818 9212 1 17 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.643 0.447 18818 9213 1 17 . 1 1 12 12 ALA C C 12 177.800 177.800 177.765 0.035 18818 9214 1 17 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.807 -1.307 18818 9215 1 17 . 1 1 12 12 ALA CB C 12 18.800 18.800 16.424 2.376 18818 9216 1 17 . 1 1 12 12 ALA H H 12 8.070 8.070 8.330 -0.260 18818 9217 1 17 . 1 1 13 13 GLN N N 13 118.500 118.500 114.298 4.202 18818 9218 1 17 . 1 1 13 13 GLN HA H 13 4.270 4.270 3.949 0.321 18818 9219 1 17 . 1 1 13 13 GLN C C 13 175.700 175.700 175.644 0.056 18818 9220 1 17 . 1 1 13 13 GLN CA C 13 55.900 55.900 58.326 -2.426 18818 9221 1 17 . 1 1 13 13 GLN CB C 13 29.100 29.100 27.149 1.951 18818 9222 1 17 . 1 1 13 13 GLN H H 13 8.230 8.230 8.169 0.061 18818 9223 1 17 . 1 1 14 14 GLU N N 14 120.600 120.600 116.841 3.759 18818 9224 1 17 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.311 -0.011 18818 9225 1 17 . 1 1 14 14 GLU C C 14 175.800 175.800 177.071 -1.271 18818 9226 1 17 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.954 -1.154 18818 9227 1 17 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.371 -0.471 18818 9228 1 17 . 1 1 14 14 GLU H H 14 8.100 8.100 7.851 0.249 18818 9229 1 17 . 1 1 15 15 PHE N N 15 121.100 121.100 118.464 2.636 18818 9230 1 17 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.941 -0.061 18818 9231 1 17 . 1 1 15 15 PHE C C 15 176.900 176.900 176.438 0.462 18818 9232 1 17 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.263 0.037 18818 9233 1 17 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.331 -0.031 18818 9234 1 17 . 1 1 15 15 PHE H H 15 8.030 8.030 7.702 0.328 18818 9235 1 17 . 1 1 16 16 SER N N 16 119.400 119.400 118.393 1.007 18818 9236 1 17 . 1 1 16 16 SER HA H 16 4.850 4.850 4.366 0.484 18818 9237 1 17 . 1 1 16 16 SER C C 16 174.800 174.800 175.785 -0.985 18818 9238 1 17 . 1 1 16 16 SER CA C 16 57.000 57.000 57.761 -0.761 18818 9239 1 17 . 1 1 16 16 SER CB C 16 65.600 65.600 64.474 1.126 18818 9240 1 17 . 1 1 16 16 SER H H 16 9.530 9.530 8.825 0.705 18818 9241 1 17 . 1 1 17 17 ASP N N 17 121.300 121.300 123.148 -1.848 18818 9242 1 17 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.425 0.125 18818 9243 1 17 . 1 1 17 17 ASP C C 17 179.700 179.700 177.996 1.704 18818 9244 1 17 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.663 0.337 18818 9245 1 17 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.669 -1.169 18818 9246 1 17 . 1 1 17 17 ASP H H 17 9.270 9.270 9.039 0.231 18818 9247 1 17 . 1 1 18 18 VAL N N 18 120.600 120.600 118.895 1.705 18818 9248 1 17 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.939 -0.259 18818 9249 1 17 . 1 1 18 18 VAL C C 18 176.900 176.900 176.888 0.012 18818 9250 1 17 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.732 1.768 18818 9251 1 17 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.468 -0.568 18818 9252 1 17 . 1 1 18 18 VAL H H 18 8.230 8.230 7.966 0.264 18818 9253 1 17 . 1 1 19 19 GLU N N 19 121.000 121.000 119.712 1.288 18818 9254 1 17 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.140 -0.400 18818 9255 1 17 . 1 1 19 19 GLU C C 19 178.600 178.600 178.956 -0.356 18818 9256 1 17 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.193 0.807 18818 9257 1 17 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.603 -0.903 18818 9258 1 17 . 1 1 19 19 GLU H H 19 8.180 8.180 7.952 0.228 18818 9259 1 17 . 1 1 20 20 ARG N N 20 118.100 118.100 118.404 -0.304 18818 9260 1 17 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.337 -0.037 18818 9261 1 17 . 1 1 20 20 ARG C C 20 178.700 178.700 178.321 0.379 18818 9262 1 17 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.067 0.033 18818 9263 1 17 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.849 -0.149 18818 9264 1 17 . 1 1 20 20 ARG H H 20 8.920 8.920 8.562 0.358 18818 9265 1 17 . 1 1 21 21 ALA N N 21 123.800 123.800 123.181 0.619 18818 9266 1 17 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.116 0.304 18818 9267 1 17 . 1 1 21 21 ALA C C 21 179.300 179.300 179.621 -0.321 18818 9268 1 17 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.152 0.048 18818 9269 1 17 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.642 -0.742 18818 9270 1 17 . 1 1 21 21 ALA H H 21 8.060 8.060 7.526 0.534 18818 9271 1 17 . 1 1 22 22 ILE N N 22 118.200 118.200 118.332 -0.132 18818 9272 1 17 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.846 -0.126 18818 9273 1 17 . 1 1 22 22 ILE C C 22 177.500 177.500 178.412 -0.912 18818 9274 1 17 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.730 0.270 18818 9275 1 17 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.719 -0.319 18818 9276 1 17 . 1 1 22 22 ILE H H 22 8.010 8.010 7.613 0.397 18818 9277 1 17 . 1 1 23 23 GLU N N 23 120.100 120.100 119.761 0.339 18818 9278 1 17 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.041 -0.081 18818 9279 1 17 . 1 1 23 23 GLU C C 23 178.000 178.000 179.133 -1.133 18818 9280 1 17 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.198 0.102 18818 9281 1 17 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.395 0.105 18818 9282 1 17 . 1 1 23 23 GLU H H 23 8.450 8.450 7.971 0.479 18818 9283 1 17 . 1 1 24 24 THR N N 24 117.300 117.300 117.120 0.180 18818 9284 1 17 . 1 1 24 24 THR HA H 24 4.010 4.010 4.217 -0.207 18818 9285 1 17 . 1 1 24 24 THR C C 24 177.000 177.000 176.984 0.016 18818 9286 1 17 . 1 1 24 24 THR CA C 24 67.100 67.100 67.265 -0.165 18818 9287 1 17 . 1 1 24 24 THR CB C 24 68.200 68.200 68.712 -0.512 18818 9288 1 17 . 1 1 24 24 THR H H 24 8.720 8.720 8.469 0.251 18818 9289 1 17 . 1 1 25 25 LEU N N 25 123.400 123.400 121.693 1.707 18818 9290 1 17 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.255 0.025 18818 9291 1 17 . 1 1 25 25 LEU C C 25 178.200 178.200 179.060 -0.860 18818 9292 1 17 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.984 1.316 18818 9293 1 17 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.535 0.165 18818 9294 1 17 . 1 1 25 25 LEU H H 25 8.150 8.150 8.175 -0.025 18818 9295 1 17 . 1 1 26 26 ILE N N 26 119.500 119.500 121.339 -1.839 18818 9296 1 17 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.908 0.092 18818 9297 1 17 . 1 1 26 26 ILE C C 26 177.900 177.900 178.554 -0.654 18818 9298 1 17 . 1 1 26 26 ILE CA C 26 64.100 64.100 66.112 -2.012 18818 9299 1 17 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.950 -0.650 18818 9300 1 17 . 1 1 26 26 ILE H H 26 8.510 8.510 8.587 -0.077 18818 9301 1 17 . 1 1 27 27 LYS N N 27 120.500 120.500 117.842 2.658 18818 9302 1 17 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.154 -0.004 18818 9303 1 17 . 1 1 27 27 LYS C C 27 179.600 179.600 179.583 0.017 18818 9304 1 17 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.904 1.196 18818 9305 1 17 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.588 0.412 18818 9306 1 17 . 1 1 27 27 LYS H H 27 9.000 9.000 8.684 0.316 18818 9307 1 17 . 1 1 28 28 ASN N N 28 117.300 117.300 116.692 0.608 18818 9308 1 17 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.781 -0.221 18818 9309 1 17 . 1 1 28 28 ASN C C 28 176.000 176.000 176.855 -0.855 18818 9310 1 17 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.541 2.159 18818 9311 1 17 . 1 1 28 28 ASN CB C 28 40.300 40.300 39.039 1.261 18818 9312 1 17 . 1 1 28 28 ASN H H 28 7.990 7.990 7.812 0.178 18818 9313 1 17 . 1 1 29 29 PHE N N 29 119.100 119.100 122.099 -2.999 18818 9314 1 17 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.698 0.212 18818 9315 1 17 . 1 1 29 29 PHE C C 29 176.200 176.200 176.818 -0.618 18818 9316 1 17 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.305 -0.105 18818 9317 1 17 . 1 1 29 29 PHE CB C 29 38.600 38.600 39.033 -0.433 18818 9318 1 17 . 1 1 29 29 PHE H H 29 7.990 7.990 8.099 -0.109 18818 9319 1 17 . 1 1 30 30 HIS N N 30 114.700 114.700 115.769 -1.069 18818 9320 1 17 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.219 0.101 18818 9321 1 17 . 1 1 30 30 HIS C C 30 177.400 177.400 177.148 0.252 18818 9322 1 17 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.389 -0.888 18818 9323 1 17 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.877 -0.277 18818 9324 1 17 . 1 1 30 30 HIS H H 30 8.180 8.180 7.814 0.366 18818 9325 1 17 . 1 1 31 31 GLN N N 31 118.500 118.500 117.326 1.174 18818 9326 1 17 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.141 -0.061 18818 9327 1 17 . 1 1 31 31 GLN C C 31 176.600 176.600 176.849 -0.249 18818 9328 1 17 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.983 -0.183 18818 9329 1 17 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.566 -0.166 18818 9330 1 17 . 1 1 31 31 GLN H H 31 8.280 8.280 7.974 0.306 18818 9331 1 17 . 1 1 32 32 TYR N N 32 115.700 115.700 119.203 -3.503 18818 9332 1 17 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.469 -0.259 18818 9333 1 17 . 1 1 32 32 TYR C C 32 174.800 174.800 176.187 -1.387 18818 9334 1 17 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.339 0.361 18818 9335 1 17 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.396 -1.696 18818 9336 1 17 . 1 1 32 32 TYR H H 32 7.410 7.410 7.777 -0.367 18818 9337 1 17 . 1 1 33 33 SER N N 33 114.000 114.000 117.280 -3.280 18818 9338 1 17 . 1 1 33 33 SER HA H 33 4.530 4.530 4.299 0.231 18818 9339 1 17 . 1 1 33 33 SER C C 33 175.000 175.000 174.147 0.853 18818 9340 1 17 . 1 1 33 33 SER CA C 33 57.200 57.200 59.854 -2.654 18818 9341 1 17 . 1 1 33 33 SER CB C 33 63.200 63.200 61.866 1.334 18818 9342 1 17 . 1 1 33 33 SER H H 33 7.260 7.260 7.619 -0.359 18818 9343 1 17 . 1 1 34 34 VAL N N 34 126.600 126.600 124.476 2.124 18818 9344 1 17 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.066 -0.056 18818 9345 1 17 . 1 1 34 34 VAL C C 34 177.800 177.800 176.741 1.059 18818 9346 1 17 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.570 0.830 18818 9347 1 17 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.962 -0.862 18818 9348 1 17 . 1 1 34 34 VAL H H 34 8.490 8.490 8.452 0.038 18818 9349 1 17 . 1 1 35 35 GLU N N 35 122.100 122.100 120.249 1.851 18818 9350 1 17 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.304 -0.054 18818 9351 1 17 . 1 1 35 35 GLU C C 35 177.800 177.800 177.114 0.686 18818 9352 1 17 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.088 0.412 18818 9353 1 17 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.375 -0.575 18818 9354 1 17 . 1 1 35 35 GLU H H 35 8.980 8.980 8.779 0.201 18818 9355 1 17 . 1 1 36 36 GLY N N 36 108.500 108.500 107.359 1.141 18818 9356 1 17 . 1 1 36 36 GLY C C 36 175.000 175.000 173.535 1.465 18818 9357 1 17 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.008 1.292 18818 9358 1 17 . 1 1 36 36 GLY H H 36 8.490 8.490 7.532 0.958 18818 9359 1 17 . 1 1 37 37 GLY N N 37 108.700 108.700 105.493 3.207 18818 9360 1 17 . 1 1 37 37 GLY C C 37 174.100 174.100 175.040 -0.940 18818 9361 1 17 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.725 1.075 18818 9362 1 17 . 1 1 37 37 GLY H H 37 8.140 8.140 7.917 0.224 18818 9363 1 17 . 1 1 38 38 LYS N N 38 118.000 118.000 120.961 -2.961 18818 9364 1 17 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.220 0.250 18818 9365 1 17 . 1 1 38 38 LYS C C 38 176.000 176.000 177.402 -1.402 18818 9366 1 17 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.439 -1.339 18818 9367 1 17 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.550 0.150 18818 9368 1 17 . 1 1 38 38 LYS H H 38 8.050 8.050 8.710 -0.660 18818 9369 1 17 . 1 1 39 39 GLU N N 39 118.100 118.100 117.066 1.034 18818 9370 1 17 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.882 -0.322 18818 9371 1 17 . 1 1 39 39 GLU C C 39 175.600 175.600 175.771 -0.171 18818 9372 1 17 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.002 0.798 18818 9373 1 17 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.031 0.169 18818 9374 1 17 . 1 1 39 39 GLU H H 39 8.630 8.630 8.673 -0.043 18818 9375 1 17 . 1 1 40 40 THR N N 40 108.100 108.100 109.447 -1.347 18818 9376 1 17 . 1 1 40 40 THR HA H 40 5.160 5.160 4.897 0.263 18818 9377 1 17 . 1 1 40 40 THR C C 40 173.400 173.400 172.361 1.039 18818 9378 1 17 . 1 1 40 40 THR CA C 40 59.300 59.300 59.641 -0.341 18818 9379 1 17 . 1 1 40 40 THR CB C 40 72.100 72.100 71.145 0.954 18818 9380 1 17 . 1 1 40 40 THR H H 40 7.490 7.490 7.922 -0.432 18818 9381 1 17 . 1 1 41 41 LEU N N 41 120.700 120.700 119.312 1.388 18818 9382 1 17 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.441 0.599 18818 9383 1 17 . 1 1 41 41 LEU C C 41 177.000 177.000 174.991 2.009 18818 9384 1 17 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.340 -0.040 18818 9385 1 17 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.629 -1.329 18818 9386 1 17 . 1 1 41 41 LEU H H 41 8.660 8.660 8.558 0.102 18818 9387 1 17 . 1 1 42 42 THR N N 42 113.500 113.500 111.233 2.267 18818 9388 1 17 . 1 1 42 42 THR HA H 42 5.000 5.000 4.904 0.096 18818 9389 1 17 . 1 1 42 42 THR C C 42 174.100 174.100 173.083 1.017 18818 9390 1 17 . 1 1 42 42 THR CA C 42 59.800 59.800 58.898 0.902 18818 9391 1 17 . 1 1 42 42 THR CB C 42 68.100 68.100 70.151 -2.051 18818 9392 1 17 . 1 1 42 42 THR H H 42 9.130 9.130 7.994 1.136 18818 9393 1 17 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.134 0.016 18818 9394 1 17 . 1 1 43 43 PRO C C 43 178.600 178.600 178.463 0.137 18818 9395 1 17 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.891 0.309 18818 9396 1 17 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.852 -0.152 18818 9397 1 17 . 1 1 44 44 SER N N 44 111.600 111.600 112.107 -0.507 18818 9398 1 17 . 1 1 44 44 SER HA H 44 4.170 4.170 4.266 -0.096 18818 9399 1 17 . 1 1 44 44 SER C C 44 176.200 176.200 175.737 0.463 18818 9400 1 17 . 1 1 44 44 SER CA C 44 61.500 61.500 61.349 0.152 18818 9401 1 17 . 1 1 44 44 SER CB C 44 62.200 62.200 63.197 -0.997 18818 9402 1 17 . 1 1 44 44 SER H H 44 8.090 8.090 7.837 0.254 18818 9403 1 17 . 1 1 45 45 GLU N N 45 123.900 123.900 120.337 3.563 18818 9404 1 17 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.276 -0.016 18818 9405 1 17 . 1 1 45 45 GLU C C 45 179.000 179.000 177.942 1.058 18818 9406 1 17 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.801 1.299 18818 9407 1 17 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.416 0.284 18818 9408 1 17 . 1 1 45 45 GLU H H 45 7.700 7.700 7.836 -0.136 18818 9409 1 17 . 1 1 46 46 LEU N N 46 118.900 118.900 122.568 -3.668 18818 9410 1 17 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.035 0.045 18818 9411 1 17 . 1 1 46 46 LEU C C 46 177.600 177.600 178.521 -0.921 18818 9412 1 17 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.020 -0.721 18818 9413 1 17 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.104 -1.204 18818 9414 1 17 . 1 1 46 46 LEU H H 46 8.400 8.400 7.864 0.536 18818 9415 1 17 . 1 1 47 47 ARG N N 47 119.300 119.300 115.515 3.785 18818 9416 1 17 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.096 -0.326 18818 9417 1 17 . 1 1 47 47 ARG C C 47 178.900 178.900 177.492 1.408 18818 9418 1 17 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.191 1.808 18818 9419 1 17 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.461 -0.461 18818 9420 1 17 . 1 1 47 47 ARG H H 47 8.260 8.260 7.757 0.503 18818 9421 1 17 . 1 1 48 48 ASP N N 48 122.300 122.300 120.363 1.937 18818 9422 1 17 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.594 -0.164 18818 9423 1 17 . 1 1 48 48 ASP C C 48 176.700 176.700 177.756 -1.056 18818 9424 1 17 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.557 0.943 18818 9425 1 17 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.392 -1.992 18818 9426 1 17 . 1 1 48 48 ASP H H 48 8.160 8.160 7.271 0.889 18818 9427 1 17 . 1 1 49 49 LEU N N 49 122.600 122.600 118.464 4.136 18818 9428 1 17 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.965 -0.795 18818 9429 1 17 . 1 1 49 49 LEU C C 49 179.100 179.100 178.384 0.716 18818 9430 1 17 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.808 1.192 18818 9431 1 17 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.223 0.077 18818 9432 1 17 . 1 1 49 49 LEU H H 49 7.980 7.980 8.224 -0.244 18818 9433 1 17 . 1 1 50 50 VAL N N 50 118.200 118.200 118.861 -0.661 18818 9434 1 17 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.691 -0.141 18818 9435 1 17 . 1 1 50 50 VAL C C 50 178.800 178.800 178.196 0.604 18818 9436 1 17 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.946 -0.546 18818 9437 1 17 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.760 0.740 18818 9438 1 17 . 1 1 50 50 VAL H H 50 8.390 8.390 7.703 0.687 18818 9439 1 17 . 1 1 51 51 THR N N 51 115.000 115.000 113.233 1.767 18818 9440 1 17 . 1 1 51 51 THR HA H 51 3.990 3.990 4.174 -0.184 18818 9441 1 17 . 1 1 51 51 THR C C 51 176.000 176.000 176.302 -0.302 18818 9442 1 17 . 1 1 51 51 THR CA C 51 65.800 65.800 64.415 1.385 18818 9443 1 17 . 1 1 51 51 THR CB C 51 68.900 68.900 68.575 0.325 18818 9444 1 17 . 1 1 51 51 THR H H 51 8.480 8.480 7.637 0.843 18818 9445 1 17 . 1 1 52 52 GLN N N 52 116.400 116.400 120.241 -3.841 18818 9446 1 17 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.205 0.045 18818 9447 1 17 . 1 1 52 52 GLN C C 52 178.300 178.300 177.863 0.437 18818 9448 1 17 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.581 -0.781 18818 9449 1 17 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.265 -0.765 18818 9450 1 17 . 1 1 52 52 GLN H H 52 8.180 8.180 8.249 -0.069 18818 9451 1 17 . 1 1 53 53 GLN N N 53 112.100 112.100 114.241 -2.141 18818 9452 1 17 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.537 0.313 18818 9453 1 17 . 1 1 53 53 GLN C C 53 176.900 176.900 176.368 0.532 18818 9454 1 17 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.329 -1.329 18818 9455 1 17 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.944 -2.544 18818 9456 1 17 . 1 1 53 53 GLN H H 53 8.490 8.490 8.037 0.453 18818 9457 1 17 . 1 1 54 54 LEU N N 54 119.800 119.800 120.159 -0.359 18818 9458 1 17 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.895 0.355 18818 9459 1 17 . 1 1 54 54 LEU C C 54 176.900 176.900 175.090 1.810 18818 9460 1 17 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.431 1.469 18818 9461 1 17 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.550 0.550 18818 9462 1 17 . 1 1 54 54 LEU H H 54 7.920 7.920 7.503 0.417 18818 9463 1 17 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.247 0.223 18818 9464 1 17 . 1 1 55 55 PRO C C 55 178.300 178.300 177.192 1.108 18818 9465 1 17 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.793 0.507 18818 9466 1 17 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.733 -1.032 18818 9467 1 17 . 1 1 56 56 HIS N N 56 116.500 116.500 116.009 0.491 18818 9468 1 17 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.563 0.027 18818 9469 1 17 . 1 1 56 56 HIS C C 56 176.300 176.300 176.515 -0.215 18818 9470 1 17 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.169 -0.369 18818 9471 1 17 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.549 -1.249 18818 9472 1 17 . 1 1 56 56 HIS H H 56 9.770 9.770 8.249 1.521 18818 9473 1 17 . 1 1 57 57 LEU N N 57 116.600 116.600 119.156 -2.556 18818 9474 1 17 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.285 0.045 18818 9475 1 17 . 1 1 57 57 LEU C C 57 176.400 176.400 176.861 -0.461 18818 9476 1 17 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.775 -0.375 18818 9477 1 17 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.882 -0.382 18818 9478 1 17 . 1 1 57 57 LEU H H 57 7.830 7.830 8.015 -0.185 18818 9479 1 17 . 1 1 58 58 MET N N 58 118.000 118.000 118.348 -0.348 18818 9480 1 17 . 1 1 58 58 MET HA H 58 4.540 4.540 4.778 -0.238 18818 9481 1 17 . 1 1 58 58 MET C C 58 171.600 171.600 173.367 -1.767 18818 9482 1 17 . 1 1 58 58 MET CA C 58 53.500 53.500 52.851 0.649 18818 9483 1 17 . 1 1 58 58 MET CB C 58 32.700 32.700 33.461 -0.761 18818 9484 1 17 . 1 1 58 58 MET H H 58 7.970 7.970 7.773 0.197 18818 9485 1 17 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.449 0.001 18818 9486 1 17 . 1 1 59 59 PRO C C 59 177.400 177.400 178.519 -1.119 18818 9487 1 17 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.111 0.989 18818 9488 1 17 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.661 -0.761 18818 9489 1 17 . 1 1 60 60 SER N N 60 114.900 114.900 115.654 -0.754 18818 9490 1 17 . 1 1 60 60 SER HA H 60 4.340 4.340 3.991 0.349 18818 9491 1 17 . 1 1 60 60 SER C C 60 174.700 174.700 176.443 -1.743 18818 9492 1 17 . 1 1 60 60 SER CA C 60 59.100 59.100 61.519 -2.419 18818 9493 1 17 . 1 1 60 60 SER CB C 60 63.200 63.200 62.524 0.676 18818 9494 1 17 . 1 1 60 60 SER H H 60 8.360 8.360 8.763 -0.403 18818 9495 1 17 . 1 1 61 61 ASN N N 61 120.800 120.800 119.071 1.729 18818 9496 1 17 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.519 0.291 18818 9497 1 17 . 1 1 61 61 ASN C C 61 175.500 175.500 176.257 -0.757 18818 9498 1 17 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.502 -2.502 18818 9499 1 17 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.323 -0.423 18818 9500 1 17 . 1 1 61 61 ASN H H 61 7.990 7.990 8.095 -0.105 18818 9501 1 17 . 1 1 62 62 CYS N N 62 117.800 117.800 115.530 2.270 18818 9502 1 17 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.419 0.171 18818 9503 1 17 . 1 1 62 62 CYS C C 62 175.300 175.300 174.474 0.826 18818 9504 1 17 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.527 -1.327 18818 9505 1 17 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.397 -0.997 18818 9506 1 17 . 1 1 62 62 CYS H H 62 8.260 8.260 7.926 0.334 18818 9507 1 17 . 1 1 63 63 GLY N N 63 111.300 111.300 108.268 3.032 18818 9508 1 17 . 1 1 63 63 GLY C C 63 175.600 175.600 174.926 0.674 18818 9509 1 17 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.875 1.425 18818 9510 1 17 . 1 1 63 63 GLY H H 63 8.520 8.520 7.742 0.778 18818 9511 1 17 . 1 1 64 64 LEU N N 64 122.400 122.400 119.549 2.851 18818 9512 1 17 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.226 -0.176 18818 9513 1 17 . 1 1 64 64 LEU C C 64 177.900 177.900 177.871 0.029 18818 9514 1 17 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.001 1.599 18818 9515 1 17 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.380 0.619 18818 9516 1 17 . 1 1 64 64 LEU H H 64 7.910 7.910 8.340 -0.430 18818 9517 1 17 . 1 1 65 65 GLU N N 65 117.900 117.900 116.526 1.374 18818 9518 1 17 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.018 -0.108 18818 9519 1 17 . 1 1 65 65 GLU C C 65 179.100 179.100 177.126 1.974 18818 9520 1 17 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.102 1.898 18818 9521 1 17 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.639 -0.239 18818 9522 1 17 . 1 1 65 65 GLU H H 65 8.660 8.660 8.394 0.266 18818 9523 1 17 . 1 1 66 66 GLU N N 66 120.000 120.000 120.241 -0.241 18818 9524 1 17 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.029 0.091 18818 9525 1 17 . 1 1 66 66 GLU C C 66 178.200 178.200 178.017 0.183 18818 9526 1 17 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.239 -0.139 18818 9527 1 17 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.485 -0.385 18818 9528 1 17 . 1 1 66 66 GLU H H 66 8.220 8.220 7.638 0.582 18818 9529 1 17 . 1 1 67 67 LYS N N 67 119.300 119.300 115.644 3.656 18818 9530 1 17 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.133 0.007 18818 9531 1 17 . 1 1 67 67 LYS C C 67 179.400 179.400 178.072 1.328 18818 9532 1 17 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.282 1.617 18818 9533 1 17 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.550 0.550 18818 9534 1 17 . 1 1 67 67 LYS H H 67 7.780 7.780 7.962 -0.182 18818 9535 1 17 . 1 1 68 68 ILE N N 68 118.400 118.400 119.730 -1.330 18818 9536 1 17 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.899 -0.179 18818 9537 1 17 . 1 1 68 68 ILE C C 68 177.800 177.800 177.114 0.686 18818 9538 1 17 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.159 1.341 18818 9539 1 17 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.208 -0.908 18818 9540 1 17 . 1 1 68 68 ILE H H 68 8.230 8.230 7.570 0.660 18818 9541 1 17 . 1 1 69 69 ALA N N 69 122.900 122.900 122.909 -0.009 18818 9542 1 17 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.966 0.254 18818 9543 1 17 . 1 1 69 69 ALA C C 69 179.600 179.600 179.506 0.094 18818 9544 1 17 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.292 -0.892 18818 9545 1 17 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.242 -0.342 18818 9546 1 17 . 1 1 69 69 ALA H H 69 8.070 8.070 8.078 -0.008 18818 9547 1 17 . 1 1 70 70 ASN N N 70 115.400 115.400 116.120 -0.720 18818 9548 1 17 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.590 0.280 18818 9549 1 17 . 1 1 70 70 ASN C C 70 176.500 176.500 176.899 -0.399 18818 9550 1 17 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.986 -0.687 18818 9551 1 17 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.781 -0.081 18818 9552 1 17 . 1 1 70 70 ASN H H 70 7.880 7.880 8.513 -0.633 18818 9553 1 17 . 1 1 71 71 LEU N N 71 120.600 120.600 115.325 5.275 18818 9554 1 17 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.648 -0.318 18818 9555 1 17 . 1 1 71 71 LEU C C 71 178.300 178.300 177.647 0.653 18818 9556 1 17 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.910 1.390 18818 9557 1 17 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.801 -0.501 18818 9558 1 17 . 1 1 71 71 LEU H H 71 7.820 7.820 7.597 0.223 18818 9559 1 17 . 1 1 72 72 GLY N N 72 106.800 106.800 109.422 -2.622 18818 9560 1 17 . 1 1 72 72 GLY C C 72 174.400 174.400 175.612 -1.212 18818 9561 1 17 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.585 1.115 18818 9562 1 17 . 1 1 72 72 GLY H H 72 8.240 8.240 8.231 0.009 18818 9563 1 17 . 1 1 73 73 SER N N 73 115.600 115.600 117.543 -1.943 18818 9564 1 17 . 1 1 73 73 SER HA H 73 4.570 4.570 4.457 0.113 18818 9565 1 17 . 1 1 73 73 SER C C 73 175.000 175.000 175.476 -0.476 18818 9566 1 17 . 1 1 73 73 SER CA C 73 58.900 58.900 58.334 0.566 18818 9567 1 17 . 1 1 73 73 SER CB C 73 63.600 63.600 62.289 1.311 18818 9568 1 17 . 1 1 73 73 SER H H 73 8.220 8.220 8.760 -0.540 18818 9569 1 17 . 1 1 74 74 CYS N N 74 119.300 119.300 122.098 -2.798 18818 9570 1 17 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.479 0.171 18818 9571 1 17 . 1 1 74 74 CYS C C 74 174.500 174.500 175.311 -0.811 18818 9572 1 17 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.925 0.775 18818 9573 1 17 . 1 1 74 74 CYS CB C 74 27.700 27.700 24.558 3.143 18818 9574 1 17 . 1 1 74 74 CYS H H 74 8.260 8.260 8.252 0.008 18818 9575 1 17 . 1 1 75 75 ASN N N 75 120.000 120.000 121.870 -1.870 18818 9576 1 17 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.510 0.330 18818 9577 1 17 . 1 1 75 75 ASN C C 75 174.700 174.700 176.880 -2.180 18818 9578 1 17 . 1 1 75 75 ASN CA C 75 53.800 53.800 56.352 -2.553 18818 9579 1 17 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.828 0.073 18818 9580 1 17 . 1 1 75 75 ASN H H 75 8.430 8.430 8.246 0.184 18818 9581 1 17 . 1 1 76 76 ASP N N 76 119.200 119.200 119.350 -0.150 18818 9582 1 17 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.603 0.067 18818 9583 1 17 . 1 1 76 76 ASP C C 76 175.500 175.500 177.422 -1.922 18818 9584 1 17 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.882 -1.482 18818 9585 1 17 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.941 -0.341 18818 9586 1 17 . 1 1 76 76 ASP H H 76 8.300 8.300 8.624 -0.324 18818 9587 1 17 . 1 1 77 77 SER N N 77 112.800 112.800 114.621 -1.821 18818 9588 1 17 . 1 1 77 77 SER HA H 77 4.260 4.260 4.408 -0.148 18818 9589 1 17 . 1 1 77 77 SER C C 77 173.300 173.300 173.801 -0.501 18818 9590 1 17 . 1 1 77 77 SER CA C 77 59.000 59.000 58.535 0.466 18818 9591 1 17 . 1 1 77 77 SER CB C 77 63.100 63.100 63.507 -0.407 18818 9592 1 17 . 1 1 77 77 SER H H 77 8.220 8.220 7.603 0.617 18818 9593 1 17 . 1 1 78 78 LYS N N 78 120.600 120.600 118.487 2.113 18818 9594 1 17 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.997 0.563 18818 9595 1 17 . 1 1 78 78 LYS C C 78 175.300 175.300 175.850 -0.550 18818 9596 1 17 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.133 -1.533 18818 9597 1 17 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.354 1.946 18818 9598 1 17 . 1 1 78 78 LYS H H 78 7.930 7.930 7.549 0.381 18818 9599 1 17 . 1 1 79 79 LEU N N 79 123.700 123.700 123.654 0.046 18818 9600 1 17 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.372 0.408 18818 9601 1 17 . 1 1 79 79 LEU C C 79 176.100 176.100 177.001 -0.901 18818 9602 1 17 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.070 -0.870 18818 9603 1 17 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.565 -1.565 18818 9604 1 17 . 1 1 79 79 LEU H H 79 9.020 9.020 8.906 0.114 18818 9605 1 17 . 1 1 80 80 GLU N N 80 121.200 121.200 116.909 4.291 18818 9606 1 17 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.022 -0.122 18818 9607 1 17 . 1 1 80 80 GLU C C 80 177.100 177.100 177.209 -0.109 18818 9608 1 17 . 1 1 80 80 GLU CA C 80 55.200 55.200 53.927 1.273 18818 9609 1 17 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.332 -0.732 18818 9610 1 17 . 1 1 80 80 GLU H H 80 8.630 8.630 8.054 0.576 18818 9611 1 17 . 1 1 81 81 PHE N N 81 123.500 123.500 122.318 1.182 18818 9612 1 17 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.279 0.251 18818 9613 1 17 . 1 1 81 81 PHE C C 81 177.000 177.000 176.880 0.120 18818 9614 1 17 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.413 -0.113 18818 9615 1 17 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.136 -0.636 18818 9616 1 17 . 1 1 81 81 PHE H H 81 9.360 9.360 8.465 0.895 18818 9617 1 17 . 1 1 82 82 ARG N N 82 116.500 116.500 119.067 -2.567 18818 9618 1 17 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.025 0.015 18818 9619 1 17 . 1 1 82 82 ARG C C 82 178.000 178.000 178.521 -0.521 18818 9620 1 17 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.152 0.048 18818 9621 1 17 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.061 0.139 18818 9622 1 17 . 1 1 82 82 ARG H H 82 8.940 8.940 8.823 0.117 18818 9623 1 17 . 1 1 83 83 SER N N 83 115.700 115.700 114.027 1.673 18818 9624 1 17 . 1 1 83 83 SER HA H 83 4.510 4.510 4.272 0.238 18818 9625 1 17 . 1 1 83 83 SER C C 83 175.800 175.800 176.406 -0.606 18818 9626 1 17 . 1 1 83 83 SER CA C 83 61.700 61.700 61.410 0.290 18818 9627 1 17 . 1 1 83 83 SER CB C 83 62.700 62.700 63.106 -0.406 18818 9628 1 17 . 1 1 83 83 SER H H 83 7.610 7.610 7.788 -0.178 18818 9629 1 17 . 1 1 84 84 PHE N N 84 122.200 122.200 122.631 -0.431 18818 9630 1 17 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.338 -0.118 18818 9631 1 17 . 1 1 84 84 PHE C C 84 175.000 175.000 176.386 -1.386 18818 9632 1 17 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.206 -0.206 18818 9633 1 17 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.544 -0.344 18818 9634 1 17 . 1 1 84 84 PHE H H 84 7.490 7.490 7.532 -0.042 18818 9635 1 17 . 1 1 85 85 TRP N N 85 120.700 120.700 120.990 -0.290 18818 9636 1 17 . 1 1 85 85 TRP HA H 85 3.760 3.760 3.917 -0.157 18818 9637 1 17 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.849 -1.049 18818 9638 1 17 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.442 -0.242 18818 9639 1 17 . 1 1 85 85 TRP H H 85 8.770 8.770 8.799 -0.029 18818 9640 1 17 . 1 1 86 86 GLU N N 86 119.100 119.100 116.978 2.122 18818 9641 1 17 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.888 0.192 18818 9642 1 17 . 1 1 86 86 GLU C C 86 179.100 179.100 177.770 1.330 18818 9643 1 17 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.327 -0.027 18818 9644 1 17 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.172 0.328 18818 9645 1 17 . 1 1 86 86 GLU H H 86 8.150 8.150 8.147 0.003 18818 9646 1 17 . 1 1 87 87 LEU N N 87 120.800 120.800 118.212 2.588 18818 9647 1 17 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.145 -0.095 18818 9648 1 17 . 1 1 87 87 LEU C C 87 178.900 178.900 178.192 0.708 18818 9649 1 17 . 1 1 87 87 LEU CA C 87 57.900 57.900 55.905 1.995 18818 9650 1 17 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.831 -1.531 18818 9651 1 17 . 1 1 87 87 LEU H H 87 7.600 7.600 7.330 0.270 18818 9652 1 17 . 1 1 88 88 ILE N N 88 115.200 115.200 120.732 -5.532 18818 9653 1 17 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.220 0.360 18818 9654 1 17 . 1 1 88 88 ILE C C 88 177.300 177.300 177.504 -0.204 18818 9655 1 17 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.419 -2.419 18818 9656 1 17 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.784 -1.184 18818 9657 1 17 . 1 1 88 88 ILE H H 88 7.960 7.960 7.965 -0.005 18818 9658 1 17 . 1 1 89 89 GLY N N 89 108.100 108.100 107.301 0.799 18818 9659 1 17 . 1 1 89 89 GLY C C 89 175.700 175.700 174.459 1.241 18818 9660 1 17 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.885 -1.485 18818 9661 1 17 . 1 1 89 89 GLY H H 89 7.620 7.620 7.788 -0.168 18818 9662 1 17 . 1 1 90 90 GLU N N 90 120.000 120.000 120.414 -0.414 18818 9663 1 17 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.188 -0.228 18818 9664 1 17 . 1 1 90 90 GLU C C 90 179.100 179.100 178.653 0.447 18818 9665 1 17 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.532 0.668 18818 9666 1 17 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.567 -0.767 18818 9667 1 17 . 1 1 90 90 GLU H H 90 7.410 7.410 7.085 0.325 18818 9668 1 17 . 1 1 91 91 ALA N N 91 122.400 122.400 123.445 -1.045 18818 9669 1 17 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.897 0.123 18818 9670 1 17 . 1 1 91 91 ALA C C 91 178.700 178.700 178.765 -0.065 18818 9671 1 17 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.886 -0.887 18818 9672 1 17 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.270 -0.270 18818 9673 1 17 . 1 1 91 91 ALA H H 91 7.610 7.610 8.094 -0.484 18818 9674 1 17 . 1 1 92 92 ALA N N 92 118.000 118.000 116.760 1.240 18818 9675 1 17 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.361 -0.691 18818 9676 1 17 . 1 1 92 92 ALA C C 92 177.900 177.900 177.590 0.310 18818 9677 1 17 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.358 0.542 18818 9678 1 17 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.482 -0.582 18818 9679 1 17 . 1 1 92 92 ALA H H 92 7.740 7.740 7.909 -0.169 18818 9680 1 17 . 1 1 93 93 LYS N N 93 114.600 114.600 116.068 -1.468 18818 9681 1 17 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.307 -0.537 18818 9682 1 17 . 1 1 93 93 LYS C C 93 177.000 177.000 177.775 -0.775 18818 9683 1 17 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.515 0.985 18818 9684 1 17 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.672 -0.872 18818 9685 1 17 . 1 1 93 93 LYS H H 93 7.200 7.200 7.567 -0.367 18818 9686 1 17 . 1 1 94 94 SER N N 94 113.000 113.000 114.446 -1.446 18818 9687 1 17 . 1 1 94 94 SER HA H 94 4.450 4.450 4.338 0.112 18818 9688 1 17 . 1 1 94 94 SER C C 94 174.500 174.500 175.312 -0.812 18818 9689 1 17 . 1 1 94 94 SER CA C 94 58.800 58.800 60.362 -1.562 18818 9690 1 17 . 1 1 94 94 SER CB C 94 63.900 63.900 64.401 -0.501 18818 9691 1 17 . 1 1 94 94 SER H H 94 7.530 7.530 7.752 -0.222 18818 9692 1 17 . 1 1 95 95 VAL N N 95 122.100 122.100 120.382 1.718 18818 9693 1 17 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.276 -0.336 18818 9694 1 17 . 1 1 95 95 VAL C C 95 175.400 175.400 173.370 2.030 18818 9695 1 17 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.226 1.974 18818 9696 1 17 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.382 -0.882 18818 9697 1 17 . 1 1 95 95 VAL H H 95 7.440 7.440 7.799 -0.359 18818 9698 1 17 . 1 1 96 96 LYS N N 96 126.300 126.300 127.129 -0.829 18818 9699 1 17 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.548 -0.148 18818 9700 1 17 . 1 1 96 96 LYS C C 96 176.000 176.000 175.775 0.225 18818 9701 1 17 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.490 0.010 18818 9702 1 17 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.037 -2.537 18818 9703 1 17 . 1 1 96 96 LYS H H 96 8.470 8.470 8.264 0.206 18818 9704 1 17 . 1 1 97 97 LEU N N 97 123.400 123.400 124.023 -0.623 18818 9705 1 17 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.589 -0.179 18818 9706 1 17 . 1 1 97 97 LEU C C 97 176.700 176.700 176.768 -0.068 18818 9707 1 17 . 1 1 97 97 LEU CA C 97 54.400 54.400 54.023 0.378 18818 9708 1 17 . 1 1 97 97 LEU CB C 97 42.300 42.300 39.733 2.567 18818 9709 1 17 . 1 1 97 97 LEU H H 97 8.140 8.140 8.620 -0.480 18818 9710 1 17 . 1 1 98 98 GLU N N 98 121.400 121.400 121.885 -0.485 18818 9711 1 17 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.339 0.001 18818 9712 1 17 . 1 1 98 98 GLU C C 98 175.900 175.900 176.393 -0.493 18818 9713 1 17 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.134 0.066 18818 9714 1 17 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.537 1.563 18818 9715 1 17 . 1 1 98 98 GLU H H 98 8.320 8.320 8.371 -0.051 18818 9716 1 17 . 1 1 99 99 ARG N N 99 122.800 122.800 121.016 1.784 18818 9717 1 17 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.246 0.564 18818 9718 1 17 . 1 1 99 99 ARG C C 99 173.900 173.900 175.440 -1.540 18818 9719 1 17 . 1 1 99 99 ARG CA C 99 53.600 53.600 57.454 -3.854 18818 9720 1 17 . 1 1 99 99 ARG CB C 99 29.900 29.900 28.496 1.404 18818 9721 1 17 . 1 1 99 99 ARG H H 99 8.280 8.280 8.003 0.277 18818 9722 1 17 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.411 0.109 18818 9723 1 17 . 1 1 100 100 PRO C C 100 176.700 176.700 175.572 1.128 18818 9724 1 17 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.895 -0.095 18818 9725 1 17 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.186 -0.486 18818 9726 1 17 . 1 1 101 101 VAL N N 101 120.500 120.500 119.605 0.895 18818 9727 1 17 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.270 -0.140 18818 9728 1 17 . 1 1 101 101 VAL C C 101 176.000 176.000 176.114 -0.114 18818 9729 1 17 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.382 0.718 18818 9730 1 17 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.047 -1.847 18818 9731 1 17 . 1 1 101 101 VAL H H 101 8.230 8.230 8.227 0.003 18818 9732 1 17 . 1 1 102 102 ARG N N 102 124.600 124.600 125.929 -1.329 18818 9733 1 17 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.374 0.046 18818 9734 1 17 . 1 1 102 102 ARG C C 102 176.400 176.400 175.978 0.422 18818 9735 1 17 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.581 0.319 18818 9736 1 17 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.415 0.285 18818 9737 1 17 . 1 1 102 102 ARG H H 102 8.390 8.390 8.681 -0.291 18818 9738 1 17 . 1 1 103 103 GLY N N 103 110.400 110.400 108.252 2.148 18818 9739 1 17 . 1 1 103 103 GLY C C 103 172.900 172.900 174.067 -1.167 18818 9740 1 17 . 1 1 103 103 GLY CA C 103 45.000 45.000 46.800 -1.800 18818 9741 1 17 . 1 1 103 103 GLY H H 103 8.400 8.400 8.421 -0.021 18818 9742 1 18 . 1 1 5 5 ARG N N 5 124.100 124.100 122.673 1.427 18818 9743 1 18 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.211 -0.161 18818 9744 1 18 . 1 1 5 5 ARG C C 5 173.800 173.800 176.463 -2.663 18818 9745 1 18 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.864 -0.864 18818 9746 1 18 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.060 0.640 18818 9747 1 18 . 1 1 5 5 ARG H H 5 8.570 8.570 8.511 0.059 18818 9748 1 18 . 1 1 6 6 SER N N 6 117.500 117.500 122.978 -5.478 18818 9749 1 18 . 1 1 6 6 SER HA H 6 4.510 4.510 4.660 -0.150 18818 9750 1 18 . 1 1 6 6 SER C C 6 174.100 174.100 174.509 -0.409 18818 9751 1 18 . 1 1 6 6 SER CA C 6 58.000 58.000 58.068 -0.068 18818 9752 1 18 . 1 1 6 6 SER CB C 6 63.700 63.700 62.766 0.934 18818 9753 1 18 . 1 1 6 6 SER H H 6 8.370 8.370 8.709 -0.339 18818 9754 1 18 . 1 1 7 7 ALA N N 7 125.900 125.900 124.149 1.751 18818 9755 1 18 . 1 1 7 7 ALA HA H 7 4.400 4.400 3.960 0.440 18818 9756 1 18 . 1 1 7 7 ALA C C 7 177.200 177.200 178.566 -1.366 18818 9757 1 18 . 1 1 7 7 ALA CA C 7 52.600 52.600 55.283 -2.683 18818 9758 1 18 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.838 0.162 18818 9759 1 18 . 1 1 7 7 ALA H H 7 8.410 8.410 7.575 0.835 18818 9760 1 18 . 1 1 8 8 ASN N N 8 117.400 117.400 115.210 2.190 18818 9761 1 18 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.348 0.422 18818 9762 1 18 . 1 1 8 8 ASN C C 8 174.900 174.900 175.700 -0.800 18818 9763 1 18 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.539 -3.639 18818 9764 1 18 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.212 0.588 18818 9765 1 18 . 1 1 8 8 ASN H H 8 8.360 8.360 8.536 -0.176 18818 9766 1 18 . 1 1 9 9 ALA N N 9 124.400 124.400 119.570 4.830 18818 9767 1 18 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.690 -0.340 18818 9768 1 18 . 1 1 9 9 ALA C C 9 177.800 177.800 178.327 -0.527 18818 9769 1 18 . 1 1 9 9 ALA CA C 9 52.700 52.700 52.978 -0.278 18818 9770 1 18 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.131 -0.231 18818 9771 1 18 . 1 1 9 9 ALA H H 9 8.270 8.270 7.918 0.352 18818 9772 1 18 . 1 1 10 10 GLU N N 10 119.300 119.300 117.710 1.590 18818 9773 1 18 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.329 -0.019 18818 9774 1 18 . 1 1 10 10 GLU C C 10 176.400 176.400 177.455 -1.055 18818 9775 1 18 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.371 -0.471 18818 9776 1 18 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.188 -0.588 18818 9777 1 18 . 1 1 10 10 GLU H H 10 8.470 8.470 7.856 0.614 18818 9778 1 18 . 1 1 11 11 ASP N N 11 120.600 120.600 119.902 0.698 18818 9779 1 18 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.641 -0.031 18818 9780 1 18 . 1 1 11 11 ASP C C 11 176.100 176.100 175.979 0.121 18818 9781 1 18 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.398 -0.098 18818 9782 1 18 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.278 -0.478 18818 9783 1 18 . 1 1 11 11 ASP H H 11 8.200 8.200 8.140 0.060 18818 9784 1 18 . 1 1 12 12 ALA N N 12 123.800 123.800 120.733 3.067 18818 9785 1 18 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.377 0.713 18818 9786 1 18 . 1 1 12 12 ALA C C 12 177.800 177.800 175.991 1.809 18818 9787 1 18 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.052 -0.552 18818 9788 1 18 . 1 1 12 12 ALA CB C 12 18.800 18.800 16.987 1.813 18818 9789 1 18 . 1 1 12 12 ALA H H 12 8.070 8.070 7.880 0.190 18818 9790 1 18 . 1 1 13 13 GLN N N 13 118.500 118.500 113.952 4.548 18818 9791 1 18 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.312 -0.042 18818 9792 1 18 . 1 1 13 13 GLN C C 13 175.700 175.700 176.185 -0.485 18818 9793 1 18 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.649 0.251 18818 9794 1 18 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.030 -0.930 18818 9795 1 18 . 1 1 13 13 GLN H H 13 8.230 8.230 7.902 0.328 18818 9796 1 18 . 1 1 14 14 GLU N N 14 120.600 120.600 119.917 0.683 18818 9797 1 18 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.134 0.166 18818 9798 1 18 . 1 1 14 14 GLU C C 14 175.800 175.800 176.399 -0.599 18818 9799 1 18 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.129 -1.329 18818 9800 1 18 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.555 0.344 18818 9801 1 18 . 1 1 14 14 GLU H H 14 8.100 8.100 8.203 -0.103 18818 9802 1 18 . 1 1 15 15 PHE N N 15 121.100 121.100 117.864 3.236 18818 9803 1 18 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.737 0.143 18818 9804 1 18 . 1 1 15 15 PHE C C 15 176.900 176.900 176.372 0.528 18818 9805 1 18 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.888 -0.588 18818 9806 1 18 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.049 0.251 18818 9807 1 18 . 1 1 15 15 PHE H H 15 8.030 8.030 7.114 0.916 18818 9808 1 18 . 1 1 16 16 SER N N 16 119.400 119.400 116.094 3.306 18818 9809 1 18 . 1 1 16 16 SER HA H 16 4.850 4.850 4.390 0.460 18818 9810 1 18 . 1 1 16 16 SER C C 16 174.800 174.800 175.525 -0.725 18818 9811 1 18 . 1 1 16 16 SER CA C 16 57.000 57.000 58.586 -1.586 18818 9812 1 18 . 1 1 16 16 SER CB C 16 65.600 65.600 64.745 0.855 18818 9813 1 18 . 1 1 16 16 SER H H 16 9.530 9.530 8.891 0.639 18818 9814 1 18 . 1 1 17 17 ASP N N 17 121.300 121.300 124.374 -3.074 18818 9815 1 18 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.469 0.081 18818 9816 1 18 . 1 1 17 17 ASP C C 17 179.700 179.700 177.965 1.735 18818 9817 1 18 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.853 0.147 18818 9818 1 18 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.742 -1.242 18818 9819 1 18 . 1 1 17 17 ASP H H 17 9.270 9.270 9.045 0.225 18818 9820 1 18 . 1 1 18 18 VAL N N 18 120.600 120.600 119.449 1.151 18818 9821 1 18 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.907 -0.227 18818 9822 1 18 . 1 1 18 18 VAL C C 18 176.900 176.900 177.055 -0.155 18818 9823 1 18 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.056 1.444 18818 9824 1 18 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.185 -0.285 18818 9825 1 18 . 1 1 18 18 VAL H H 18 8.230 8.230 7.744 0.486 18818 9826 1 18 . 1 1 19 19 GLU N N 19 121.000 121.000 119.550 1.450 18818 9827 1 18 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.058 -0.318 18818 9828 1 18 . 1 1 19 19 GLU C C 19 178.600 178.600 178.913 -0.313 18818 9829 1 18 . 1 1 19 19 GLU CA C 19 60.000 60.000 60.179 -0.180 18818 9830 1 18 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.355 -0.655 18818 9831 1 18 . 1 1 19 19 GLU H H 19 8.180 8.180 8.622 -0.442 18818 9832 1 18 . 1 1 20 20 ARG N N 20 118.100 118.100 117.245 0.855 18818 9833 1 18 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.446 -0.146 18818 9834 1 18 . 1 1 20 20 ARG C C 20 178.700 178.700 178.464 0.236 18818 9835 1 18 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.897 0.203 18818 9836 1 18 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.914 -0.214 18818 9837 1 18 . 1 1 20 20 ARG H H 20 8.920 8.920 8.725 0.195 18818 9838 1 18 . 1 1 21 21 ALA N N 21 123.800 123.800 123.889 -0.089 18818 9839 1 18 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.167 0.253 18818 9840 1 18 . 1 1 21 21 ALA C C 21 179.300 179.300 179.644 -0.344 18818 9841 1 18 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.922 0.278 18818 9842 1 18 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.161 -0.261 18818 9843 1 18 . 1 1 21 21 ALA H H 21 8.060 8.060 7.604 0.456 18818 9844 1 18 . 1 1 22 22 ILE N N 22 118.200 118.200 118.391 -0.191 18818 9845 1 18 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.725 -0.005 18818 9846 1 18 . 1 1 22 22 ILE C C 22 177.500 177.500 178.428 -0.928 18818 9847 1 18 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.761 0.239 18818 9848 1 18 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.850 -0.450 18818 9849 1 18 . 1 1 22 22 ILE H H 22 8.010 8.010 7.728 0.282 18818 9850 1 18 . 1 1 23 23 GLU N N 23 120.100 120.100 119.331 0.769 18818 9851 1 18 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.145 -0.185 18818 9852 1 18 . 1 1 23 23 GLU C C 23 178.000 178.000 179.343 -1.343 18818 9853 1 18 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.782 0.518 18818 9854 1 18 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.699 -0.199 18818 9855 1 18 . 1 1 23 23 GLU H H 23 8.450 8.450 7.770 0.680 18818 9856 1 18 . 1 1 24 24 THR N N 24 117.300 117.300 116.335 0.965 18818 9857 1 18 . 1 1 24 24 THR HA H 24 4.010 4.010 4.252 -0.242 18818 9858 1 18 . 1 1 24 24 THR C C 24 177.000 177.000 177.052 -0.052 18818 9859 1 18 . 1 1 24 24 THR CA C 24 67.100 67.100 66.809 0.291 18818 9860 1 18 . 1 1 24 24 THR CB C 24 68.200 68.200 68.925 -0.726 18818 9861 1 18 . 1 1 24 24 THR H H 24 8.720 8.720 8.390 0.330 18818 9862 1 18 . 1 1 25 25 LEU N N 25 123.400 123.400 120.876 2.524 18818 9863 1 18 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.435 -0.155 18818 9864 1 18 . 1 1 25 25 LEU C C 25 178.200 178.200 178.184 0.016 18818 9865 1 18 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.087 1.213 18818 9866 1 18 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.794 -0.094 18818 9867 1 18 . 1 1 25 25 LEU H H 25 8.150 8.150 7.915 0.235 18818 9868 1 18 . 1 1 26 26 ILE N N 26 119.500 119.500 118.647 0.853 18818 9869 1 18 . 1 1 26 26 ILE HA H 26 4.000 4.000 4.239 -0.239 18818 9870 1 18 . 1 1 26 26 ILE C C 26 177.900 177.900 178.235 -0.335 18818 9871 1 18 . 1 1 26 26 ILE CA C 26 64.100 64.100 62.270 1.830 18818 9872 1 18 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.390 -1.090 18818 9873 1 18 . 1 1 26 26 ILE H H 26 8.510 8.510 7.706 0.804 18818 9874 1 18 . 1 1 27 27 LYS N N 27 120.500 120.500 121.207 -0.707 18818 9875 1 18 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.218 -0.068 18818 9876 1 18 . 1 1 27 27 LYS C C 27 179.600 179.600 178.534 1.066 18818 9877 1 18 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.328 0.772 18818 9878 1 18 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.567 0.433 18818 9879 1 18 . 1 1 27 27 LYS H H 27 9.000 9.000 8.514 0.486 18818 9880 1 18 . 1 1 28 28 ASN N N 28 117.300 117.300 117.243 0.057 18818 9881 1 18 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.675 -0.115 18818 9882 1 18 . 1 1 28 28 ASN C C 28 176.000 176.000 177.026 -1.026 18818 9883 1 18 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.376 1.324 18818 9884 1 18 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.393 1.907 18818 9885 1 18 . 1 1 28 28 ASN H H 28 7.990 7.990 7.985 0.005 18818 9886 1 18 . 1 1 29 29 PHE N N 29 119.100 119.100 121.462 -2.362 18818 9887 1 18 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.673 0.237 18818 9888 1 18 . 1 1 29 29 PHE C C 29 176.200 176.200 176.557 -0.357 18818 9889 1 18 . 1 1 29 29 PHE CA C 29 61.200 61.200 62.295 -1.095 18818 9890 1 18 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.512 0.088 18818 9891 1 18 . 1 1 29 29 PHE H H 29 7.990 7.990 8.107 -0.117 18818 9892 1 18 . 1 1 30 30 HIS N N 30 114.700 114.700 114.718 -0.018 18818 9893 1 18 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.356 -0.036 18818 9894 1 18 . 1 1 30 30 HIS C C 30 177.400 177.400 176.810 0.590 18818 9895 1 18 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.797 -0.297 18818 9896 1 18 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.537 0.063 18818 9897 1 18 . 1 1 30 30 HIS H H 30 8.180 8.180 7.927 0.253 18818 9898 1 18 . 1 1 31 31 GLN N N 31 118.500 118.500 118.371 0.129 18818 9899 1 18 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.118 -0.038 18818 9900 1 18 . 1 1 31 31 GLN C C 31 176.600 176.600 177.681 -1.081 18818 9901 1 18 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.303 -0.503 18818 9902 1 18 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.847 -0.447 18818 9903 1 18 . 1 1 31 31 GLN H H 31 8.280 8.280 7.964 0.316 18818 9904 1 18 . 1 1 32 32 TYR N N 32 115.700 115.700 117.721 -2.021 18818 9905 1 18 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.341 -0.131 18818 9906 1 18 . 1 1 32 32 TYR C C 32 174.800 174.800 176.207 -1.407 18818 9907 1 18 . 1 1 32 32 TYR CA C 32 59.700 59.700 60.250 -0.550 18818 9908 1 18 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.332 -0.632 18818 9909 1 18 . 1 1 32 32 TYR H H 32 7.410 7.410 8.150 -0.740 18818 9910 1 18 . 1 1 33 33 SER N N 33 114.000 114.000 114.371 -0.371 18818 9911 1 18 . 1 1 33 33 SER HA H 33 4.530 4.530 4.335 0.196 18818 9912 1 18 . 1 1 33 33 SER C C 33 175.000 175.000 174.559 0.441 18818 9913 1 18 . 1 1 33 33 SER CA C 33 57.200 57.200 59.126 -1.926 18818 9914 1 18 . 1 1 33 33 SER CB C 33 63.200 63.200 62.006 1.194 18818 9915 1 18 . 1 1 33 33 SER H H 33 7.260 7.260 7.725 -0.465 18818 9916 1 18 . 1 1 34 34 VAL N N 34 126.600 126.600 126.640 -0.040 18818 9917 1 18 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.126 -0.116 18818 9918 1 18 . 1 1 34 34 VAL C C 34 177.800 177.800 176.697 1.103 18818 9919 1 18 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.098 1.302 18818 9920 1 18 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.403 -0.303 18818 9921 1 18 . 1 1 34 34 VAL H H 34 8.490 8.490 8.698 -0.208 18818 9922 1 18 . 1 1 35 35 GLU N N 35 122.100 122.100 118.113 3.987 18818 9923 1 18 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.451 -0.201 18818 9924 1 18 . 1 1 35 35 GLU C C 35 177.800 177.800 177.178 0.622 18818 9925 1 18 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.069 1.431 18818 9926 1 18 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.905 -1.105 18818 9927 1 18 . 1 1 35 35 GLU H H 35 8.980 8.980 8.859 0.121 18818 9928 1 18 . 1 1 36 36 GLY N N 36 108.500 108.500 106.953 1.547 18818 9929 1 18 . 1 1 36 36 GLY C C 36 175.000 175.000 174.685 0.315 18818 9930 1 18 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.487 0.813 18818 9931 1 18 . 1 1 36 36 GLY H H 36 8.490 8.490 7.543 0.947 18818 9932 1 18 . 1 1 37 37 GLY N N 37 108.700 108.700 105.688 3.012 18818 9933 1 18 . 1 1 37 37 GLY C C 37 174.100 174.100 175.523 -1.423 18818 9934 1 18 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.419 1.381 18818 9935 1 18 . 1 1 37 37 GLY H H 37 8.140 8.140 8.384 -0.244 18818 9936 1 18 . 1 1 38 38 LYS N N 38 118.000 118.000 117.190 0.810 18818 9937 1 18 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.717 0.753 18818 9938 1 18 . 1 1 38 38 LYS C C 38 176.000 176.000 176.225 -0.225 18818 9939 1 18 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.899 -2.799 18818 9940 1 18 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.752 1.948 18818 9941 1 18 . 1 1 38 38 LYS H H 38 8.050 8.050 8.021 0.029 18818 9942 1 18 . 1 1 39 39 GLU N N 39 118.100 118.100 115.689 2.411 18818 9943 1 18 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.632 -0.072 18818 9944 1 18 . 1 1 39 39 GLU C C 39 175.600 175.600 176.193 -0.593 18818 9945 1 18 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.081 -0.281 18818 9946 1 18 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.804 -0.604 18818 9947 1 18 . 1 1 39 39 GLU H H 39 8.630 8.630 8.251 0.379 18818 9948 1 18 . 1 1 40 40 THR N N 40 108.100 108.100 109.291 -1.191 18818 9949 1 18 . 1 1 40 40 THR HA H 40 5.160 5.160 4.787 0.373 18818 9950 1 18 . 1 1 40 40 THR C C 40 173.400 173.400 172.153 1.247 18818 9951 1 18 . 1 1 40 40 THR CA C 40 59.300 59.300 59.650 -0.350 18818 9952 1 18 . 1 1 40 40 THR CB C 40 72.100 72.100 71.874 0.227 18818 9953 1 18 . 1 1 40 40 THR H H 40 7.490 7.490 7.819 -0.329 18818 9954 1 18 . 1 1 41 41 LEU N N 41 120.700 120.700 123.742 -3.042 18818 9955 1 18 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.539 0.501 18818 9956 1 18 . 1 1 41 41 LEU C C 41 177.000 177.000 175.543 1.457 18818 9957 1 18 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.164 -0.864 18818 9958 1 18 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.125 0.175 18818 9959 1 18 . 1 1 41 41 LEU H H 41 8.660 8.660 8.574 0.086 18818 9960 1 18 . 1 1 42 42 THR N N 42 113.500 113.500 117.612 -4.112 18818 9961 1 18 . 1 1 42 42 THR HA H 42 5.000 5.000 4.898 0.102 18818 9962 1 18 . 1 1 42 42 THR C C 42 174.100 174.100 174.062 0.038 18818 9963 1 18 . 1 1 42 42 THR CA C 42 59.800 59.800 59.232 0.568 18818 9964 1 18 . 1 1 42 42 THR CB C 42 68.100 68.100 69.640 -1.540 18818 9965 1 18 . 1 1 42 42 THR H H 42 9.130 9.130 9.187 -0.057 18818 9966 1 18 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.156 -0.006 18818 9967 1 18 . 1 1 43 43 PRO C C 43 178.600 178.600 179.001 -0.401 18818 9968 1 18 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.119 0.081 18818 9969 1 18 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.730 -0.030 18818 9970 1 18 . 1 1 44 44 SER N N 44 111.600 111.600 112.157 -0.557 18818 9971 1 18 . 1 1 44 44 SER HA H 44 4.170 4.170 4.252 -0.082 18818 9972 1 18 . 1 1 44 44 SER C C 44 176.200 176.200 176.505 -0.305 18818 9973 1 18 . 1 1 44 44 SER CA C 44 61.500 61.500 61.660 -0.160 18818 9974 1 18 . 1 1 44 44 SER CB C 44 62.200 62.200 62.941 -0.741 18818 9975 1 18 . 1 1 44 44 SER H H 44 8.090 8.090 8.662 -0.572 18818 9976 1 18 . 1 1 45 45 GLU N N 45 123.900 123.900 121.815 2.085 18818 9977 1 18 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.276 -0.016 18818 9978 1 18 . 1 1 45 45 GLU C C 45 179.000 179.000 178.266 0.734 18818 9979 1 18 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.312 0.787 18818 9980 1 18 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.453 0.247 18818 9981 1 18 . 1 1 45 45 GLU H H 45 7.700 7.700 7.743 -0.043 18818 9982 1 18 . 1 1 46 46 LEU N N 46 118.900 118.900 122.763 -3.863 18818 9983 1 18 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.959 0.121 18818 9984 1 18 . 1 1 46 46 LEU C C 46 177.600 177.600 178.836 -1.236 18818 9985 1 18 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.312 -1.012 18818 9986 1 18 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.987 -1.087 18818 9987 1 18 . 1 1 46 46 LEU H H 46 8.400 8.400 8.595 -0.195 18818 9988 1 18 . 1 1 47 47 ARG N N 47 119.300 119.300 118.143 1.157 18818 9989 1 18 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.937 -0.167 18818 9990 1 18 . 1 1 47 47 ARG C C 47 178.900 178.900 178.536 0.364 18818 9991 1 18 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.688 0.312 18818 9992 1 18 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.800 -0.800 18818 9993 1 18 . 1 1 47 47 ARG H H 47 8.260 8.260 8.357 -0.097 18818 9994 1 18 . 1 1 48 48 ASP N N 48 122.300 122.300 120.460 1.840 18818 9995 1 18 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.460 -0.030 18818 9996 1 18 . 1 1 48 48 ASP C C 48 176.700 176.700 178.266 -1.566 18818 9997 1 18 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.243 0.257 18818 9998 1 18 . 1 1 48 48 ASP CB C 48 39.400 39.400 40.892 -1.492 18818 9999 1 18 . 1 1 48 48 ASP H H 48 8.160 8.160 7.848 0.312 18818 10000 1 18 . 1 1 49 49 LEU N N 49 122.600 122.600 117.878 4.722 18818 10001 1 18 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.796 -0.626 18818 10002 1 18 . 1 1 49 49 LEU C C 49 179.100 179.100 178.821 0.279 18818 10003 1 18 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.230 1.770 18818 10004 1 18 . 1 1 49 49 LEU CB C 49 41.300 41.300 40.984 0.316 18818 10005 1 18 . 1 1 49 49 LEU H H 49 7.980 7.980 7.763 0.217 18818 10006 1 18 . 1 1 50 50 VAL N N 50 118.200 118.200 120.735 -2.535 18818 10007 1 18 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.578 -0.028 18818 10008 1 18 . 1 1 50 50 VAL C C 50 178.800 178.800 178.359 0.441 18818 10009 1 18 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.772 -0.372 18818 10010 1 18 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.582 -0.082 18818 10011 1 18 . 1 1 50 50 VAL H H 50 8.390 8.390 8.000 0.390 18818 10012 1 18 . 1 1 51 51 THR N N 51 115.000 115.000 114.154 0.846 18818 10013 1 18 . 1 1 51 51 THR HA H 51 3.990 3.990 4.133 -0.143 18818 10014 1 18 . 1 1 51 51 THR C C 51 176.000 176.000 175.941 0.059 18818 10015 1 18 . 1 1 51 51 THR CA C 51 65.800 65.800 65.065 0.735 18818 10016 1 18 . 1 1 51 51 THR CB C 51 68.900 68.900 68.828 0.072 18818 10017 1 18 . 1 1 51 51 THR H H 51 8.480 8.480 8.234 0.246 18818 10018 1 18 . 1 1 52 52 GLN N N 52 116.400 116.400 117.921 -1.521 18818 10019 1 18 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.455 -0.205 18818 10020 1 18 . 1 1 52 52 GLN C C 52 178.300 178.300 177.038 1.262 18818 10021 1 18 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.041 0.759 18818 10022 1 18 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.353 -0.853 18818 10023 1 18 . 1 1 52 52 GLN H H 52 8.180 8.180 8.142 0.038 18818 10024 1 18 . 1 1 53 53 GLN N N 53 112.100 112.100 116.461 -4.361 18818 10025 1 18 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.561 0.289 18818 10026 1 18 . 1 1 53 53 GLN C C 53 176.900 176.900 175.736 1.164 18818 10027 1 18 . 1 1 53 53 GLN CA C 53 55.000 55.000 55.865 -0.865 18818 10028 1 18 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.090 -2.690 18818 10029 1 18 . 1 1 53 53 GLN H H 53 8.490 8.490 7.757 0.733 18818 10030 1 18 . 1 1 54 54 LEU N N 54 119.800 119.800 120.365 -0.565 18818 10031 1 18 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.845 0.405 18818 10032 1 18 . 1 1 54 54 LEU C C 54 176.900 176.900 174.770 2.130 18818 10033 1 18 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.611 1.289 18818 10034 1 18 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.914 0.186 18818 10035 1 18 . 1 1 54 54 LEU H H 54 7.920 7.920 7.731 0.189 18818 10036 1 18 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.340 0.130 18818 10037 1 18 . 1 1 55 55 PRO C C 55 178.300 178.300 177.429 0.871 18818 10038 1 18 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.937 0.363 18818 10039 1 18 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.762 -1.062 18818 10040 1 18 . 1 1 56 56 HIS N N 56 116.500 116.500 116.389 0.111 18818 10041 1 18 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.491 0.099 18818 10042 1 18 . 1 1 56 56 HIS C C 56 176.300 176.300 176.784 -0.484 18818 10043 1 18 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.888 -0.088 18818 10044 1 18 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.234 -0.934 18818 10045 1 18 . 1 1 56 56 HIS H H 56 9.770 9.770 7.985 1.785 18818 10046 1 18 . 1 1 57 57 LEU N N 57 116.600 116.600 119.603 -3.003 18818 10047 1 18 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.261 0.069 18818 10048 1 18 . 1 1 57 57 LEU C C 57 176.400 176.400 176.319 0.081 18818 10049 1 18 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.041 -0.641 18818 10050 1 18 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.204 0.296 18818 10051 1 18 . 1 1 57 57 LEU H H 57 7.830 7.830 8.094 -0.264 18818 10052 1 18 . 1 1 58 58 MET N N 58 118.000 118.000 116.802 1.198 18818 10053 1 18 . 1 1 58 58 MET HA H 58 4.540 4.540 4.940 -0.400 18818 10054 1 18 . 1 1 58 58 MET C C 58 171.600 171.600 173.301 -1.701 18818 10055 1 18 . 1 1 58 58 MET CA C 58 53.500 53.500 50.691 2.809 18818 10056 1 18 . 1 1 58 58 MET CB C 58 32.700 32.700 32.863 -0.163 18818 10057 1 18 . 1 1 58 58 MET H H 58 7.970 7.970 7.676 0.294 18818 10058 1 18 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.613 -0.163 18818 10059 1 18 . 1 1 59 59 PRO C C 59 177.400 177.400 176.702 0.698 18818 10060 1 18 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.209 0.891 18818 10061 1 18 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.516 -0.616 18818 10062 1 18 . 1 1 60 60 SER N N 60 114.900 114.900 116.589 -1.689 18818 10063 1 18 . 1 1 60 60 SER HA H 60 4.340 4.340 4.342 -0.002 18818 10064 1 18 . 1 1 60 60 SER C C 60 174.700 174.700 175.450 -0.750 18818 10065 1 18 . 1 1 60 60 SER CA C 60 59.100 59.100 59.266 -0.166 18818 10066 1 18 . 1 1 60 60 SER CB C 60 63.200 63.200 63.746 -0.546 18818 10067 1 18 . 1 1 60 60 SER H H 60 8.360 8.360 8.374 -0.014 18818 10068 1 18 . 1 1 61 61 ASN N N 61 120.800 120.800 121.568 -0.768 18818 10069 1 18 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.340 0.470 18818 10070 1 18 . 1 1 61 61 ASN C C 61 175.500 175.500 176.402 -0.902 18818 10071 1 18 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.989 -2.989 18818 10072 1 18 . 1 1 61 61 ASN CB C 61 37.900 37.900 36.988 0.912 18818 10073 1 18 . 1 1 61 61 ASN H H 61 7.990 7.990 8.973 -0.983 18818 10074 1 18 . 1 1 62 62 CYS N N 62 117.800 117.800 119.612 -1.812 18818 10075 1 18 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.235 0.355 18818 10076 1 18 . 1 1 62 62 CYS C C 62 175.300 175.300 176.717 -1.417 18818 10077 1 18 . 1 1 62 62 CYS CA C 62 59.200 59.200 63.743 -4.543 18818 10078 1 18 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.259 0.141 18818 10079 1 18 . 1 1 62 62 CYS H H 62 8.260 8.260 8.397 -0.137 18818 10080 1 18 . 1 1 63 63 GLY N N 63 111.300 111.300 105.887 5.413 18818 10081 1 18 . 1 1 63 63 GLY C C 63 175.600 175.600 175.132 0.468 18818 10082 1 18 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.095 -0.795 18818 10083 1 18 . 1 1 63 63 GLY H H 63 8.520 8.520 8.560 -0.040 18818 10084 1 18 . 1 1 64 64 LEU N N 64 122.400 122.400 114.865 7.535 18818 10085 1 18 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.397 -0.347 18818 10086 1 18 . 1 1 64 64 LEU C C 64 177.900 177.900 177.796 0.104 18818 10087 1 18 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.342 1.258 18818 10088 1 18 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.624 0.376 18818 10089 1 18 . 1 1 64 64 LEU H H 64 7.910 7.910 7.399 0.511 18818 10090 1 18 . 1 1 65 65 GLU N N 65 117.900 117.900 119.264 -1.364 18818 10091 1 18 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.130 -0.220 18818 10092 1 18 . 1 1 65 65 GLU C C 65 179.100 179.100 178.106 0.994 18818 10093 1 18 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.442 1.558 18818 10094 1 18 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.694 -1.294 18818 10095 1 18 . 1 1 65 65 GLU H H 65 8.660 8.660 7.709 0.951 18818 10096 1 18 . 1 1 66 66 GLU N N 66 120.000 120.000 119.347 0.653 18818 10097 1 18 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.028 0.092 18818 10098 1 18 . 1 1 66 66 GLU C C 66 178.200 178.200 178.377 -0.177 18818 10099 1 18 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.231 -0.131 18818 10100 1 18 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.125 -0.025 18818 10101 1 18 . 1 1 66 66 GLU H H 66 8.220 8.220 8.159 0.061 18818 10102 1 18 . 1 1 67 67 LYS N N 67 119.300 119.300 117.746 1.554 18818 10103 1 18 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.130 0.010 18818 10104 1 18 . 1 1 67 67 LYS C C 67 179.400 179.400 178.147 1.253 18818 10105 1 18 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.514 1.386 18818 10106 1 18 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.767 0.333 18818 10107 1 18 . 1 1 67 67 LYS H H 67 7.780 7.780 8.340 -0.560 18818 10108 1 18 . 1 1 68 68 ILE N N 68 118.400 118.400 120.333 -1.933 18818 10109 1 18 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.764 -0.044 18818 10110 1 18 . 1 1 68 68 ILE C C 68 177.800 177.800 177.260 0.540 18818 10111 1 18 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.948 0.552 18818 10112 1 18 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.820 -0.520 18818 10113 1 18 . 1 1 68 68 ILE H H 68 8.230 8.230 7.624 0.606 18818 10114 1 18 . 1 1 69 69 ALA N N 69 122.900 122.900 122.213 0.687 18818 10115 1 18 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.986 0.234 18818 10116 1 18 . 1 1 69 69 ALA C C 69 179.600 179.600 179.246 0.354 18818 10117 1 18 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.147 -0.747 18818 10118 1 18 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.440 -0.540 18818 10119 1 18 . 1 1 69 69 ALA H H 69 8.070 8.070 8.118 -0.048 18818 10120 1 18 . 1 1 70 70 ASN N N 70 115.400 115.400 115.777 -0.377 18818 10121 1 18 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.634 0.236 18818 10122 1 18 . 1 1 70 70 ASN C C 70 176.500 176.500 176.589 -0.089 18818 10123 1 18 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.714 -0.414 18818 10124 1 18 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.843 -0.143 18818 10125 1 18 . 1 1 70 70 ASN H H 70 7.880 7.880 8.286 -0.406 18818 10126 1 18 . 1 1 71 71 LEU N N 71 120.600 120.600 116.234 4.366 18818 10127 1 18 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.684 -0.354 18818 10128 1 18 . 1 1 71 71 LEU C C 71 178.300 178.300 177.501 0.799 18818 10129 1 18 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.931 1.369 18818 10130 1 18 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.518 -0.218 18818 10131 1 18 . 1 1 71 71 LEU H H 71 7.820 7.820 7.301 0.519 18818 10132 1 18 . 1 1 72 72 GLY N N 72 106.800 106.800 109.021 -2.221 18818 10133 1 18 . 1 1 72 72 GLY C C 72 174.400 174.400 175.565 -1.165 18818 10134 1 18 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.359 0.341 18818 10135 1 18 . 1 1 72 72 GLY H H 72 8.240 8.240 8.149 0.091 18818 10136 1 18 . 1 1 73 73 SER N N 73 115.600 115.600 118.330 -2.730 18818 10137 1 18 . 1 1 73 73 SER HA H 73 4.570 4.570 4.181 0.389 18818 10138 1 18 . 1 1 73 73 SER C C 73 175.000 175.000 175.404 -0.404 18818 10139 1 18 . 1 1 73 73 SER CA C 73 58.900 58.900 60.724 -1.824 18818 10140 1 18 . 1 1 73 73 SER CB C 73 63.600 63.600 63.275 0.325 18818 10141 1 18 . 1 1 73 73 SER H H 73 8.220 8.220 8.689 -0.469 18818 10142 1 18 . 1 1 74 74 CYS N N 74 119.300 119.300 117.590 1.710 18818 10143 1 18 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.513 0.137 18818 10144 1 18 . 1 1 74 74 CYS C C 74 174.500 174.500 174.576 -0.076 18818 10145 1 18 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.732 -0.032 18818 10146 1 18 . 1 1 74 74 CYS CB C 74 27.700 27.700 27.426 0.274 18818 10147 1 18 . 1 1 74 74 CYS H H 74 8.260 8.260 7.941 0.319 18818 10148 1 18 . 1 1 75 75 ASN N N 75 120.000 120.000 120.780 -0.780 18818 10149 1 18 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.639 0.201 18818 10150 1 18 . 1 1 75 75 ASN C C 75 174.700 174.700 176.336 -1.636 18818 10151 1 18 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.051 -0.251 18818 10152 1 18 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.432 -0.532 18818 10153 1 18 . 1 1 75 75 ASN H H 75 8.430 8.430 7.681 0.749 18818 10154 1 18 . 1 1 76 76 ASP N N 76 119.200 119.200 126.550 -7.350 18818 10155 1 18 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.536 0.134 18818 10156 1 18 . 1 1 76 76 ASP C C 76 175.500 175.500 177.090 -1.590 18818 10157 1 18 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.846 -1.446 18818 10158 1 18 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.883 -0.283 18818 10159 1 18 . 1 1 76 76 ASP H H 76 8.300 8.300 8.939 -0.639 18818 10160 1 18 . 1 1 77 77 SER N N 77 112.800 112.800 114.560 -1.760 18818 10161 1 18 . 1 1 77 77 SER HA H 77 4.260 4.260 4.430 -0.170 18818 10162 1 18 . 1 1 77 77 SER C C 77 173.300 173.300 174.510 -1.210 18818 10163 1 18 . 1 1 77 77 SER CA C 77 59.000 59.000 58.708 0.292 18818 10164 1 18 . 1 1 77 77 SER CB C 77 63.100 63.100 63.196 -0.096 18818 10165 1 18 . 1 1 77 77 SER H H 77 8.220 8.220 8.231 -0.011 18818 10166 1 18 . 1 1 78 78 LYS N N 78 120.600 120.600 116.999 3.601 18818 10167 1 18 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.021 0.539 18818 10168 1 18 . 1 1 78 78 LYS C C 78 175.300 175.300 175.262 0.038 18818 10169 1 18 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.704 -2.104 18818 10170 1 18 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.714 1.586 18818 10171 1 18 . 1 1 78 78 LYS H H 78 7.930 7.930 7.703 0.227 18818 10172 1 18 . 1 1 79 79 LEU N N 79 123.700 123.700 116.889 6.811 18818 10173 1 18 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.805 -0.025 18818 10174 1 18 . 1 1 79 79 LEU C C 79 176.100 176.100 175.372 0.728 18818 10175 1 18 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.139 0.061 18818 10176 1 18 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.450 -1.450 18818 10177 1 18 . 1 1 79 79 LEU H H 79 9.020 9.020 8.198 0.822 18818 10178 1 18 . 1 1 80 80 GLU N N 80 121.200 121.200 118.673 2.527 18818 10179 1 18 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.997 -0.097 18818 10180 1 18 . 1 1 80 80 GLU C C 80 177.100 177.100 176.590 0.510 18818 10181 1 18 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.785 0.415 18818 10182 1 18 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.964 -1.364 18818 10183 1 18 . 1 1 80 80 GLU H H 80 8.630 8.630 8.055 0.575 18818 10184 1 18 . 1 1 81 81 PHE N N 81 123.500 123.500 121.884 1.616 18818 10185 1 18 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.341 0.189 18818 10186 1 18 . 1 1 81 81 PHE C C 81 177.000 177.000 176.823 0.177 18818 10187 1 18 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.786 -0.486 18818 10188 1 18 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.220 -0.720 18818 10189 1 18 . 1 1 81 81 PHE H H 81 9.360 9.360 8.671 0.689 18818 10190 1 18 . 1 1 82 82 ARG N N 82 116.500 116.500 118.086 -1.586 18818 10191 1 18 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.017 0.023 18818 10192 1 18 . 1 1 82 82 ARG C C 82 178.000 178.000 178.222 -0.222 18818 10193 1 18 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.322 -0.122 18818 10194 1 18 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.851 -0.650 18818 10195 1 18 . 1 1 82 82 ARG H H 82 8.940 8.940 8.599 0.341 18818 10196 1 18 . 1 1 83 83 SER N N 83 115.700 115.700 114.267 1.433 18818 10197 1 18 . 1 1 83 83 SER HA H 83 4.510 4.510 4.302 0.208 18818 10198 1 18 . 1 1 83 83 SER C C 83 175.800 175.800 176.789 -0.989 18818 10199 1 18 . 1 1 83 83 SER CA C 83 61.700 61.700 61.016 0.684 18818 10200 1 18 . 1 1 83 83 SER CB C 83 62.700 62.700 62.952 -0.252 18818 10201 1 18 . 1 1 83 83 SER H H 83 7.610 7.610 7.887 -0.277 18818 10202 1 18 . 1 1 84 84 PHE N N 84 122.200 122.200 123.396 -1.196 18818 10203 1 18 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.239 -0.019 18818 10204 1 18 . 1 1 84 84 PHE C C 84 175.000 175.000 177.279 -2.279 18818 10205 1 18 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.869 -0.869 18818 10206 1 18 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.407 -0.207 18818 10207 1 18 . 1 1 84 84 PHE H H 84 7.490 7.490 7.733 -0.243 18818 10208 1 18 . 1 1 85 85 TRP N N 85 120.700 120.700 121.189 -0.489 18818 10209 1 18 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.052 -0.292 18818 10210 1 18 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.644 -0.844 18818 10211 1 18 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.462 -0.262 18818 10212 1 18 . 1 1 85 85 TRP H H 85 8.770 8.770 8.144 0.626 18818 10213 1 18 . 1 1 86 86 GLU N N 86 119.100 119.100 117.908 1.192 18818 10214 1 18 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.883 0.197 18818 10215 1 18 . 1 1 86 86 GLU C C 86 179.100 179.100 179.010 0.090 18818 10216 1 18 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.550 -0.250 18818 10217 1 18 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.163 0.337 18818 10218 1 18 . 1 1 86 86 GLU H H 86 8.150 8.150 8.565 -0.415 18818 10219 1 18 . 1 1 87 87 LEU N N 87 120.800 120.800 118.281 2.519 18818 10220 1 18 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.092 -0.042 18818 10221 1 18 . 1 1 87 87 LEU C C 87 178.900 178.900 178.391 0.509 18818 10222 1 18 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.601 1.299 18818 10223 1 18 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.849 -0.549 18818 10224 1 18 . 1 1 87 87 LEU H H 87 7.600 7.600 7.598 0.002 18818 10225 1 18 . 1 1 88 88 ILE N N 88 115.200 115.200 120.178 -4.978 18818 10226 1 18 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.544 0.036 18818 10227 1 18 . 1 1 88 88 ILE C C 88 177.300 177.300 177.587 -0.287 18818 10228 1 18 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.758 -1.758 18818 10229 1 18 . 1 1 88 88 ILE CB C 88 35.600 35.600 37.060 -1.460 18818 10230 1 18 . 1 1 88 88 ILE H H 88 7.960 7.960 7.137 0.823 18818 10231 1 18 . 1 1 89 89 GLY N N 89 108.100 108.100 107.644 0.456 18818 10232 1 18 . 1 1 89 89 GLY C C 89 175.700 175.700 175.579 0.121 18818 10233 1 18 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.807 -1.407 18818 10234 1 18 . 1 1 89 89 GLY H H 89 7.620 7.620 7.990 -0.370 18818 10235 1 18 . 1 1 90 90 GLU N N 90 120.000 120.000 121.436 -1.436 18818 10236 1 18 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.015 -0.055 18818 10237 1 18 . 1 1 90 90 GLU C C 90 179.100 179.100 179.017 0.083 18818 10238 1 18 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.542 -0.342 18818 10239 1 18 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.518 -0.719 18818 10240 1 18 . 1 1 90 90 GLU H H 90 7.410 7.410 7.925 -0.515 18818 10241 1 18 . 1 1 91 91 ALA N N 91 122.400 122.400 122.378 0.022 18818 10242 1 18 . 1 1 91 91 ALA HA H 91 4.020 4.020 4.020 0.000 18818 10243 1 18 . 1 1 91 91 ALA C C 91 178.700 178.700 179.316 -0.616 18818 10244 1 18 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.603 -0.603 18818 10245 1 18 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.215 -0.215 18818 10246 1 18 . 1 1 91 91 ALA H H 91 7.610 7.610 7.511 0.099 18818 10247 1 18 . 1 1 92 92 ALA N N 92 118.000 118.000 119.498 -1.498 18818 10248 1 18 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.041 -0.371 18818 10249 1 18 . 1 1 92 92 ALA C C 92 177.900 177.900 179.243 -1.343 18818 10250 1 18 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.007 -0.107 18818 10251 1 18 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.226 -0.326 18818 10252 1 18 . 1 1 92 92 ALA H H 92 7.740 7.740 8.051 -0.311 18818 10253 1 18 . 1 1 93 93 LYS N N 93 114.600 114.600 117.584 -2.984 18818 10254 1 18 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.092 -0.322 18818 10255 1 18 . 1 1 93 93 LYS C C 93 177.000 177.000 177.286 -0.286 18818 10256 1 18 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.185 -0.686 18818 10257 1 18 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.111 -0.311 18818 10258 1 18 . 1 1 93 93 LYS H H 93 7.200 7.200 7.480 -0.280 18818 10259 1 18 . 1 1 94 94 SER N N 94 113.000 113.000 112.648 0.352 18818 10260 1 18 . 1 1 94 94 SER HA H 94 4.450 4.450 4.569 -0.119 18818 10261 1 18 . 1 1 94 94 SER C C 94 174.500 174.500 173.596 0.904 18818 10262 1 18 . 1 1 94 94 SER CA C 94 58.800 58.800 57.939 0.861 18818 10263 1 18 . 1 1 94 94 SER CB C 94 63.900 63.900 64.720 -0.820 18818 10264 1 18 . 1 1 94 94 SER H H 94 7.530 7.530 7.706 -0.176 18818 10265 1 18 . 1 1 95 95 VAL N N 95 122.100 122.100 120.494 1.606 18818 10266 1 18 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.248 -0.308 18818 10267 1 18 . 1 1 95 95 VAL C C 95 175.400 175.400 174.008 1.392 18818 10268 1 18 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.447 0.753 18818 10269 1 18 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.087 -1.587 18818 10270 1 18 . 1 1 95 95 VAL H H 95 7.440 7.440 7.499 -0.059 18818 10271 1 18 . 1 1 96 96 LYS N N 96 126.300 126.300 125.900 0.400 18818 10272 1 18 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.599 -0.199 18818 10273 1 18 . 1 1 96 96 LYS C C 96 176.000 176.000 175.515 0.485 18818 10274 1 18 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.005 0.495 18818 10275 1 18 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.509 -2.009 18818 10276 1 18 . 1 1 96 96 LYS H H 96 8.470 8.470 8.107 0.363 18818 10277 1 18 . 1 1 97 97 LEU N N 97 123.400 123.400 120.530 2.870 18818 10278 1 18 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.423 -0.013 18818 10279 1 18 . 1 1 97 97 LEU C C 97 176.700 176.700 177.933 -1.233 18818 10280 1 18 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.012 -0.612 18818 10281 1 18 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.527 -0.227 18818 10282 1 18 . 1 1 97 97 LEU H H 97 8.140 8.140 8.182 -0.042 18818 10283 1 18 . 1 1 98 98 GLU N N 98 121.400 121.400 121.406 -0.006 18818 10284 1 18 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.309 0.031 18818 10285 1 18 . 1 1 98 98 GLU C C 98 175.900 175.900 175.420 0.480 18818 10286 1 18 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.854 -0.654 18818 10287 1 18 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.673 1.427 18818 10288 1 18 . 1 1 98 98 GLU H H 98 8.320 8.320 8.644 -0.324 18818 10289 1 18 . 1 1 99 99 ARG N N 99 122.800 122.800 121.016 1.784 18818 10290 1 18 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.649 0.161 18818 10291 1 18 . 1 1 99 99 ARG C C 99 173.900 173.900 174.464 -0.564 18818 10292 1 18 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.254 0.346 18818 10293 1 18 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.911 -0.011 18818 10294 1 18 . 1 1 99 99 ARG H H 99 8.280 8.280 7.886 0.394 18818 10295 1 18 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.486 0.034 18818 10296 1 18 . 1 1 100 100 PRO C C 100 176.700 176.700 176.408 0.292 18818 10297 1 18 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.390 0.410 18818 10298 1 18 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.457 -0.757 18818 10299 1 18 . 1 1 101 101 VAL N N 101 120.500 120.500 120.825 -0.325 18818 10300 1 18 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.347 -0.217 18818 10301 1 18 . 1 1 101 101 VAL C C 101 176.000 176.000 176.076 -0.076 18818 10302 1 18 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.654 0.446 18818 10303 1 18 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.822 -1.621 18818 10304 1 18 . 1 1 101 101 VAL H H 101 8.230 8.230 8.124 0.106 18818 10305 1 18 . 1 1 102 102 ARG N N 102 124.600 124.600 126.289 -1.689 18818 10306 1 18 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.558 -0.138 18818 10307 1 18 . 1 1 102 102 ARG C C 102 176.400 176.400 175.668 0.732 18818 10308 1 18 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.036 -0.136 18818 10309 1 18 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.017 -0.317 18818 10310 1 18 . 1 1 102 102 ARG H H 102 8.390 8.390 8.588 -0.198 18818 10311 1 18 . 1 1 103 103 GLY N N 103 110.400 110.400 109.096 1.304 18818 10312 1 18 . 1 1 103 103 GLY C C 103 172.900 172.900 172.597 0.303 18818 10313 1 18 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.483 0.518 18818 10314 1 18 . 1 1 103 103 GLY H H 103 8.400 8.400 8.325 0.075 18818 10315 1 19 . 1 1 5 5 ARG N N 5 124.100 124.100 121.075 3.025 18818 10316 1 19 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.575 -0.525 18818 10317 1 19 . 1 1 5 5 ARG C C 5 173.800 173.800 175.772 -1.972 18818 10318 1 19 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.875 0.125 18818 10319 1 19 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.654 -0.954 18818 10320 1 19 . 1 1 5 5 ARG H H 5 8.570 8.570 8.282 0.288 18818 10321 1 19 . 1 1 6 6 SER N N 6 117.500 117.500 115.016 2.484 18818 10322 1 19 . 1 1 6 6 SER HA H 6 4.510 4.510 4.521 -0.011 18818 10323 1 19 . 1 1 6 6 SER C C 6 174.100 174.100 173.433 0.667 18818 10324 1 19 . 1 1 6 6 SER CA C 6 58.000 58.000 58.418 -0.418 18818 10325 1 19 . 1 1 6 6 SER CB C 6 63.700 63.700 64.193 -0.493 18818 10326 1 19 . 1 1 6 6 SER H H 6 8.370 8.370 8.778 -0.408 18818 10327 1 19 . 1 1 7 7 ALA N N 7 125.900 125.900 123.057 2.843 18818 10328 1 19 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.579 -0.179 18818 10329 1 19 . 1 1 7 7 ALA C C 7 177.200 177.200 176.577 0.623 18818 10330 1 19 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.949 0.651 18818 10331 1 19 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.886 -0.885 18818 10332 1 19 . 1 1 7 7 ALA H H 7 8.410 8.410 7.516 0.894 18818 10333 1 19 . 1 1 8 8 ASN N N 8 117.400 117.400 116.647 0.753 18818 10334 1 19 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.332 0.438 18818 10335 1 19 . 1 1 8 8 ASN C C 8 174.900 174.900 174.614 0.286 18818 10336 1 19 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.980 -1.080 18818 10337 1 19 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.117 -0.317 18818 10338 1 19 . 1 1 8 8 ASN H H 8 8.360 8.360 8.697 -0.337 18818 10339 1 19 . 1 1 9 9 ALA N N 9 124.400 124.400 122.791 1.609 18818 10340 1 19 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.053 0.297 18818 10341 1 19 . 1 1 9 9 ALA C C 9 177.800 177.800 177.611 0.189 18818 10342 1 19 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.643 -0.943 18818 10343 1 19 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.839 1.061 18818 10344 1 19 . 1 1 9 9 ALA H H 9 8.270 8.270 8.588 -0.318 18818 10345 1 19 . 1 1 10 10 GLU N N 10 119.300 119.300 119.210 0.090 18818 10346 1 19 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.164 0.146 18818 10347 1 19 . 1 1 10 10 GLU C C 10 176.400 176.400 177.195 -0.795 18818 10348 1 19 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.388 -1.488 18818 10349 1 19 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.208 -0.608 18818 10350 1 19 . 1 1 10 10 GLU H H 10 8.470 8.470 8.933 -0.463 18818 10351 1 19 . 1 1 11 11 ASP N N 11 120.600 120.600 117.831 2.769 18818 10352 1 19 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.917 -0.307 18818 10353 1 19 . 1 1 11 11 ASP C C 11 176.100 176.100 176.650 -0.550 18818 10354 1 19 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.684 -0.383 18818 10355 1 19 . 1 1 11 11 ASP CB C 11 40.800 40.800 42.729 -1.929 18818 10356 1 19 . 1 1 11 11 ASP H H 11 8.200 8.200 8.366 -0.166 18818 10357 1 19 . 1 1 12 12 ALA N N 12 123.800 123.800 122.236 1.564 18818 10358 1 19 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.038 0.052 18818 10359 1 19 . 1 1 12 12 ALA C C 12 177.800 177.800 176.441 1.359 18818 10360 1 19 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.541 -1.041 18818 10361 1 19 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.973 -0.173 18818 10362 1 19 . 1 1 12 12 ALA H H 12 8.070 8.070 8.144 -0.074 18818 10363 1 19 . 1 1 13 13 GLN N N 13 118.500 118.500 117.342 1.158 18818 10364 1 19 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.402 -0.132 18818 10365 1 19 . 1 1 13 13 GLN C C 13 175.700 175.700 176.577 -0.877 18818 10366 1 19 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.706 -0.806 18818 10367 1 19 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.885 -0.785 18818 10368 1 19 . 1 1 13 13 GLN H H 13 8.230 8.230 8.808 -0.578 18818 10369 1 19 . 1 1 14 14 GLU N N 14 120.600 120.600 119.372 1.228 18818 10370 1 19 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.237 0.063 18818 10371 1 19 . 1 1 14 14 GLU C C 14 175.800 175.800 176.102 -0.302 18818 10372 1 19 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.078 -1.278 18818 10373 1 19 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.915 -0.015 18818 10374 1 19 . 1 1 14 14 GLU H H 14 8.100 8.100 8.440 -0.340 18818 10375 1 19 . 1 1 15 15 PHE N N 15 121.100 121.100 117.657 3.443 18818 10376 1 19 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.859 0.021 18818 10377 1 19 . 1 1 15 15 PHE C C 15 176.900 176.900 175.821 1.079 18818 10378 1 19 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.014 -0.715 18818 10379 1 19 . 1 1 15 15 PHE CB C 15 39.300 39.300 42.153 -2.853 18818 10380 1 19 . 1 1 15 15 PHE H H 15 8.030 8.030 7.691 0.339 18818 10381 1 19 . 1 1 16 16 SER N N 16 119.400 119.400 117.855 1.545 18818 10382 1 19 . 1 1 16 16 SER HA H 16 4.850 4.850 4.383 0.467 18818 10383 1 19 . 1 1 16 16 SER C C 16 174.800 174.800 175.400 -0.600 18818 10384 1 19 . 1 1 16 16 SER CA C 16 57.000 57.000 59.097 -2.097 18818 10385 1 19 . 1 1 16 16 SER CB C 16 65.600 65.600 64.095 1.505 18818 10386 1 19 . 1 1 16 16 SER H H 16 9.530 9.530 8.833 0.697 18818 10387 1 19 . 1 1 17 17 ASP N N 17 121.300 121.300 123.350 -2.050 18818 10388 1 19 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.367 0.183 18818 10389 1 19 . 1 1 17 17 ASP C C 17 179.700 179.700 178.564 1.136 18818 10390 1 19 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.927 0.073 18818 10391 1 19 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.653 -1.153 18818 10392 1 19 . 1 1 17 17 ASP H H 17 9.270 9.270 8.949 0.321 18818 10393 1 19 . 1 1 18 18 VAL N N 18 120.600 120.600 119.357 1.243 18818 10394 1 19 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.873 -0.193 18818 10395 1 19 . 1 1 18 18 VAL C C 18 176.900 176.900 177.158 -0.258 18818 10396 1 19 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.002 1.498 18818 10397 1 19 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.947 -0.047 18818 10398 1 19 . 1 1 18 18 VAL H H 18 8.230 8.230 7.950 0.280 18818 10399 1 19 . 1 1 19 19 GLU N N 19 121.000 121.000 119.471 1.529 18818 10400 1 19 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.145 -0.405 18818 10401 1 19 . 1 1 19 19 GLU C C 19 178.600 178.600 178.686 -0.086 18818 10402 1 19 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.199 0.801 18818 10403 1 19 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.667 -0.967 18818 10404 1 19 . 1 1 19 19 GLU H H 19 8.180 8.180 7.918 0.262 18818 10405 1 19 . 1 1 20 20 ARG N N 20 118.100 118.100 116.363 1.737 18818 10406 1 19 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.165 0.135 18818 10407 1 19 . 1 1 20 20 ARG C C 20 178.700 178.700 177.832 0.868 18818 10408 1 19 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.109 0.991 18818 10409 1 19 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.153 -0.453 18818 10410 1 19 . 1 1 20 20 ARG H H 20 8.920 8.920 8.029 0.891 18818 10411 1 19 . 1 1 21 21 ALA N N 21 123.800 123.800 123.644 0.156 18818 10412 1 19 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.097 0.323 18818 10413 1 19 . 1 1 21 21 ALA C C 21 179.300 179.300 179.553 -0.253 18818 10414 1 19 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.028 0.172 18818 10415 1 19 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.506 -0.606 18818 10416 1 19 . 1 1 21 21 ALA H H 21 8.060 8.060 7.552 0.508 18818 10417 1 19 . 1 1 22 22 ILE N N 22 118.200 118.200 118.056 0.144 18818 10418 1 19 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.735 -0.015 18818 10419 1 19 . 1 1 22 22 ILE C C 22 177.500 177.500 178.112 -0.612 18818 10420 1 19 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.844 0.156 18818 10421 1 19 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.742 -0.341 18818 10422 1 19 . 1 1 22 22 ILE H H 22 8.010 8.010 7.762 0.248 18818 10423 1 19 . 1 1 23 23 GLU N N 23 120.100 120.100 118.827 1.273 18818 10424 1 19 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.040 -0.080 18818 10425 1 19 . 1 1 23 23 GLU C C 23 178.000 178.000 179.150 -1.150 18818 10426 1 19 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.590 0.710 18818 10427 1 19 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.173 0.327 18818 10428 1 19 . 1 1 23 23 GLU H H 23 8.450 8.450 8.417 0.033 18818 10429 1 19 . 1 1 24 24 THR N N 24 117.300 117.300 116.680 0.620 18818 10430 1 19 . 1 1 24 24 THR HA H 24 4.010 4.010 4.268 -0.258 18818 10431 1 19 . 1 1 24 24 THR C C 24 177.000 177.000 176.867 0.133 18818 10432 1 19 . 1 1 24 24 THR CA C 24 67.100 67.100 67.240 -0.140 18818 10433 1 19 . 1 1 24 24 THR CB C 24 68.200 68.200 68.741 -0.541 18818 10434 1 19 . 1 1 24 24 THR H H 24 8.720 8.720 8.148 0.572 18818 10435 1 19 . 1 1 25 25 LEU N N 25 123.400 123.400 121.008 2.392 18818 10436 1 19 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.286 -0.006 18818 10437 1 19 . 1 1 25 25 LEU C C 25 178.200 178.200 179.100 -0.900 18818 10438 1 19 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.567 1.733 18818 10439 1 19 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.556 0.144 18818 10440 1 19 . 1 1 25 25 LEU H H 25 8.150 8.150 7.635 0.515 18818 10441 1 19 . 1 1 26 26 ILE N N 26 119.500 119.500 119.797 -0.297 18818 10442 1 19 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.821 0.179 18818 10443 1 19 . 1 1 26 26 ILE C C 26 177.900 177.900 178.877 -0.977 18818 10444 1 19 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.381 0.719 18818 10445 1 19 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.720 0.580 18818 10446 1 19 . 1 1 26 26 ILE H H 26 8.510 8.510 8.413 0.097 18818 10447 1 19 . 1 1 27 27 LYS N N 27 120.500 120.500 119.504 0.996 18818 10448 1 19 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.182 -0.032 18818 10449 1 19 . 1 1 27 27 LYS C C 27 179.600 179.600 179.166 0.434 18818 10450 1 19 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.935 1.165 18818 10451 1 19 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.433 0.567 18818 10452 1 19 . 1 1 27 27 LYS H H 27 9.000 9.000 8.734 0.266 18818 10453 1 19 . 1 1 28 28 ASN N N 28 117.300 117.300 116.881 0.419 18818 10454 1 19 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.678 -0.118 18818 10455 1 19 . 1 1 28 28 ASN C C 28 176.000 176.000 177.202 -1.202 18818 10456 1 19 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.745 1.954 18818 10457 1 19 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.688 1.612 18818 10458 1 19 . 1 1 28 28 ASN H H 28 7.990 7.990 7.608 0.382 18818 10459 1 19 . 1 1 29 29 PHE N N 29 119.100 119.100 121.506 -2.406 18818 10460 1 19 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.538 0.372 18818 10461 1 19 . 1 1 29 29 PHE C C 29 176.200 176.200 176.629 -0.429 18818 10462 1 19 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.135 0.065 18818 10463 1 19 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.792 -0.193 18818 10464 1 19 . 1 1 29 29 PHE H H 29 7.990 7.990 8.038 -0.048 18818 10465 1 19 . 1 1 30 30 HIS N N 30 114.700 114.700 116.626 -1.926 18818 10466 1 19 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.907 -0.587 18818 10467 1 19 . 1 1 30 30 HIS C C 30 177.400 177.400 178.042 -0.642 18818 10468 1 19 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.440 0.060 18818 10469 1 19 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.933 -0.333 18818 10470 1 19 . 1 1 30 30 HIS H H 30 8.180 8.180 7.807 0.373 18818 10471 1 19 . 1 1 31 31 GLN N N 31 118.500 118.500 118.968 -0.468 18818 10472 1 19 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.072 0.008 18818 10473 1 19 . 1 1 31 31 GLN C C 31 176.600 176.600 177.212 -0.612 18818 10474 1 19 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.533 -0.733 18818 10475 1 19 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.407 -0.007 18818 10476 1 19 . 1 1 31 31 GLN H H 31 8.280 8.280 8.346 -0.066 18818 10477 1 19 . 1 1 32 32 TYR N N 32 115.700 115.700 117.154 -1.454 18818 10478 1 19 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.443 -0.233 18818 10479 1 19 . 1 1 32 32 TYR C C 32 174.800 174.800 176.065 -1.265 18818 10480 1 19 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.530 0.170 18818 10481 1 19 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.149 -1.449 18818 10482 1 19 . 1 1 32 32 TYR H H 32 7.410 7.410 7.753 -0.343 18818 10483 1 19 . 1 1 33 33 SER N N 33 114.000 114.000 116.538 -2.538 18818 10484 1 19 . 1 1 33 33 SER HA H 33 4.530 4.530 4.691 -0.161 18818 10485 1 19 . 1 1 33 33 SER C C 33 175.000 175.000 175.001 -0.001 18818 10486 1 19 . 1 1 33 33 SER CA C 33 57.200 57.200 58.187 -0.987 18818 10487 1 19 . 1 1 33 33 SER CB C 33 63.200 63.200 61.876 1.325 18818 10488 1 19 . 1 1 33 33 SER H H 33 7.260 7.260 7.888 -0.628 18818 10489 1 19 . 1 1 34 34 VAL N N 34 126.600 126.600 121.124 5.476 18818 10490 1 19 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.241 -0.231 18818 10491 1 19 . 1 1 34 34 VAL C C 34 177.800 177.800 176.785 1.015 18818 10492 1 19 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.507 0.893 18818 10493 1 19 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.870 0.230 18818 10494 1 19 . 1 1 34 34 VAL H H 34 8.490 8.490 8.316 0.174 18818 10495 1 19 . 1 1 35 35 GLU N N 35 122.100 122.100 121.133 0.967 18818 10496 1 19 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.337 -0.087 18818 10497 1 19 . 1 1 35 35 GLU C C 35 177.800 177.800 177.766 0.034 18818 10498 1 19 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.170 0.330 18818 10499 1 19 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.459 -0.659 18818 10500 1 19 . 1 1 35 35 GLU H H 35 8.980 8.980 8.429 0.551 18818 10501 1 19 . 1 1 36 36 GLY N N 36 108.500 108.500 106.890 1.610 18818 10502 1 19 . 1 1 36 36 GLY C C 36 175.000 175.000 175.980 -0.980 18818 10503 1 19 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.880 0.420 18818 10504 1 19 . 1 1 36 36 GLY H H 36 8.490 8.490 8.323 0.167 18818 10505 1 19 . 1 1 37 37 GLY N N 37 108.700 108.700 110.890 -2.190 18818 10506 1 19 . 1 1 37 37 GLY C C 37 174.100 174.100 174.776 -0.676 18818 10507 1 19 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.748 1.052 18818 10508 1 19 . 1 1 37 37 GLY H H 37 8.140 8.140 8.626 -0.486 18818 10509 1 19 . 1 1 38 38 LYS N N 38 118.000 118.000 116.944 1.056 18818 10510 1 19 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.024 0.446 18818 10511 1 19 . 1 1 38 38 LYS C C 38 176.000 176.000 177.115 -1.115 18818 10512 1 19 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.071 -2.971 18818 10513 1 19 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.745 0.955 18818 10514 1 19 . 1 1 38 38 LYS H H 38 8.050 8.050 8.252 -0.202 18818 10515 1 19 . 1 1 39 39 GLU N N 39 118.100 118.100 116.679 1.421 18818 10516 1 19 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.312 0.248 18818 10517 1 19 . 1 1 39 39 GLU C C 39 175.600 175.600 175.222 0.378 18818 10518 1 19 . 1 1 39 39 GLU CA C 39 56.800 56.800 58.248 -1.448 18818 10519 1 19 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.339 -0.139 18818 10520 1 19 . 1 1 39 39 GLU H H 39 8.630 8.630 8.019 0.611 18818 10521 1 19 . 1 1 40 40 THR N N 40 108.100 108.100 106.169 1.931 18818 10522 1 19 . 1 1 40 40 THR HA H 40 5.160 5.160 4.714 0.446 18818 10523 1 19 . 1 1 40 40 THR C C 40 173.400 173.400 173.004 0.396 18818 10524 1 19 . 1 1 40 40 THR CA C 40 59.300 59.300 60.188 -0.888 18818 10525 1 19 . 1 1 40 40 THR CB C 40 72.100 72.100 71.505 0.595 18818 10526 1 19 . 1 1 40 40 THR H H 40 7.490 7.490 7.592 -0.102 18818 10527 1 19 . 1 1 41 41 LEU N N 41 120.700 120.700 123.325 -2.625 18818 10528 1 19 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.437 0.603 18818 10529 1 19 . 1 1 41 41 LEU C C 41 177.000 177.000 175.348 1.652 18818 10530 1 19 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.726 -0.426 18818 10531 1 19 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.816 0.484 18818 10532 1 19 . 1 1 41 41 LEU H H 41 8.660 8.660 8.458 0.202 18818 10533 1 19 . 1 1 42 42 THR N N 42 113.500 113.500 118.333 -4.833 18818 10534 1 19 . 1 1 42 42 THR HA H 42 5.000 5.000 4.878 0.122 18818 10535 1 19 . 1 1 42 42 THR C C 42 174.100 174.100 173.893 0.207 18818 10536 1 19 . 1 1 42 42 THR CA C 42 59.800 59.800 59.365 0.435 18818 10537 1 19 . 1 1 42 42 THR CB C 42 68.100 68.100 69.339 -1.239 18818 10538 1 19 . 1 1 42 42 THR H H 42 9.130 9.130 8.990 0.140 18818 10539 1 19 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.089 0.061 18818 10540 1 19 . 1 1 43 43 PRO C C 43 178.600 178.600 178.680 -0.080 18818 10541 1 19 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.190 0.010 18818 10542 1 19 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.684 0.016 18818 10543 1 19 . 1 1 44 44 SER N N 44 111.600 111.600 111.942 -0.342 18818 10544 1 19 . 1 1 44 44 SER HA H 44 4.170 4.170 4.242 -0.072 18818 10545 1 19 . 1 1 44 44 SER C C 44 176.200 176.200 176.397 -0.197 18818 10546 1 19 . 1 1 44 44 SER CA C 44 61.500 61.500 61.144 0.356 18818 10547 1 19 . 1 1 44 44 SER CB C 44 62.200 62.200 62.874 -0.674 18818 10548 1 19 . 1 1 44 44 SER H H 44 8.090 8.090 8.643 -0.553 18818 10549 1 19 . 1 1 45 45 GLU N N 45 123.900 123.900 121.832 2.068 18818 10550 1 19 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.263 -0.003 18818 10551 1 19 . 1 1 45 45 GLU C C 45 179.000 179.000 178.179 0.821 18818 10552 1 19 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.032 1.067 18818 10553 1 19 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.487 0.213 18818 10554 1 19 . 1 1 45 45 GLU H H 45 7.700 7.700 7.656 0.044 18818 10555 1 19 . 1 1 46 46 LEU N N 46 118.900 118.900 122.836 -3.936 18818 10556 1 19 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.876 0.204 18818 10557 1 19 . 1 1 46 46 LEU C C 46 177.600 177.600 178.681 -1.081 18818 10558 1 19 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.387 -1.087 18818 10559 1 19 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.950 -1.050 18818 10560 1 19 . 1 1 46 46 LEU H H 46 8.400 8.400 8.541 -0.141 18818 10561 1 19 . 1 1 47 47 ARG N N 47 119.300 119.300 117.094 2.206 18818 10562 1 19 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.931 -0.161 18818 10563 1 19 . 1 1 47 47 ARG C C 47 178.900 178.900 178.771 0.129 18818 10564 1 19 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.237 0.763 18818 10565 1 19 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.832 -0.832 18818 10566 1 19 . 1 1 47 47 ARG H H 47 8.260 8.260 7.929 0.331 18818 10567 1 19 . 1 1 48 48 ASP N N 48 122.300 122.300 120.060 2.240 18818 10568 1 19 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.516 -0.086 18818 10569 1 19 . 1 1 48 48 ASP C C 48 176.700 176.700 178.228 -1.528 18818 10570 1 19 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.013 0.487 18818 10571 1 19 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.228 -1.828 18818 10572 1 19 . 1 1 48 48 ASP H H 48 8.160 8.160 7.527 0.633 18818 10573 1 19 . 1 1 49 49 LEU N N 49 122.600 122.600 118.229 4.371 18818 10574 1 19 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.768 -0.598 18818 10575 1 19 . 1 1 49 49 LEU C C 49 179.100 179.100 178.268 0.832 18818 10576 1 19 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.325 1.675 18818 10577 1 19 . 1 1 49 49 LEU CB C 49 41.300 41.300 40.765 0.535 18818 10578 1 19 . 1 1 49 49 LEU H H 49 7.980 7.980 7.870 0.110 18818 10579 1 19 . 1 1 50 50 VAL N N 50 118.200 118.200 119.685 -1.485 18818 10580 1 19 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.496 0.054 18818 10581 1 19 . 1 1 50 50 VAL C C 50 178.800 178.800 177.664 1.136 18818 10582 1 19 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.216 -0.816 18818 10583 1 19 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.374 0.126 18818 10584 1 19 . 1 1 50 50 VAL H H 50 8.390 8.390 7.859 0.531 18818 10585 1 19 . 1 1 51 51 THR N N 51 115.000 115.000 112.070 2.930 18818 10586 1 19 . 1 1 51 51 THR HA H 51 3.990 3.990 4.028 -0.038 18818 10587 1 19 . 1 1 51 51 THR C C 51 176.000 176.000 175.498 0.502 18818 10588 1 19 . 1 1 51 51 THR CA C 51 65.800 65.800 65.050 0.750 18818 10589 1 19 . 1 1 51 51 THR CB C 51 68.900 68.900 68.365 0.535 18818 10590 1 19 . 1 1 51 51 THR H H 51 8.480 8.480 8.298 0.182 18818 10591 1 19 . 1 1 52 52 GLN N N 52 116.400 116.400 118.177 -1.777 18818 10592 1 19 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.350 -0.100 18818 10593 1 19 . 1 1 52 52 GLN C C 52 178.300 178.300 177.266 1.034 18818 10594 1 19 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.418 0.382 18818 10595 1 19 . 1 1 52 52 GLN CB C 52 28.500 28.500 28.898 -0.399 18818 10596 1 19 . 1 1 52 52 GLN H H 52 8.180 8.180 7.470 0.710 18818 10597 1 19 . 1 1 53 53 GLN N N 53 112.100 112.100 117.658 -5.558 18818 10598 1 19 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.490 0.360 18818 10599 1 19 . 1 1 53 53 GLN C C 53 176.900 176.900 176.532 0.368 18818 10600 1 19 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.607 -1.607 18818 10601 1 19 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.471 -2.071 18818 10602 1 19 . 1 1 53 53 GLN H H 53 8.490 8.490 7.903 0.587 18818 10603 1 19 . 1 1 54 54 LEU N N 54 119.800 119.800 119.697 0.103 18818 10604 1 19 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.869 0.381 18818 10605 1 19 . 1 1 54 54 LEU C C 54 176.900 176.900 174.759 2.141 18818 10606 1 19 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.370 1.530 18818 10607 1 19 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.623 0.477 18818 10608 1 19 . 1 1 54 54 LEU H H 54 7.920 7.920 8.148 -0.228 18818 10609 1 19 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.256 0.214 18818 10610 1 19 . 1 1 55 55 PRO C C 55 178.300 178.300 177.380 0.920 18818 10611 1 19 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.854 0.446 18818 10612 1 19 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.951 -1.251 18818 10613 1 19 . 1 1 56 56 HIS N N 56 116.500 116.500 116.352 0.148 18818 10614 1 19 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.504 0.086 18818 10615 1 19 . 1 1 56 56 HIS C C 56 176.300 176.300 176.544 -0.244 18818 10616 1 19 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.841 -0.041 18818 10617 1 19 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.193 -0.893 18818 10618 1 19 . 1 1 56 56 HIS H H 56 9.770 9.770 8.187 1.583 18818 10619 1 19 . 1 1 57 57 LEU N N 57 116.600 116.600 119.050 -2.450 18818 10620 1 19 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.229 0.101 18818 10621 1 19 . 1 1 57 57 LEU C C 57 176.400 176.400 176.603 -0.203 18818 10622 1 19 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.853 -0.453 18818 10623 1 19 . 1 1 57 57 LEU CB C 57 42.500 42.500 41.954 0.546 18818 10624 1 19 . 1 1 57 57 LEU H H 57 7.830 7.830 8.009 -0.179 18818 10625 1 19 . 1 1 58 58 MET N N 58 118.000 118.000 117.133 0.867 18818 10626 1 19 . 1 1 58 58 MET HA H 58 4.540 4.540 4.776 -0.236 18818 10627 1 19 . 1 1 58 58 MET C C 58 171.600 171.600 173.317 -1.717 18818 10628 1 19 . 1 1 58 58 MET CA C 58 53.500 53.500 52.973 0.527 18818 10629 1 19 . 1 1 58 58 MET CB C 58 32.700 32.700 34.525 -1.825 18818 10630 1 19 . 1 1 58 58 MET H H 58 7.970 7.970 7.426 0.544 18818 10631 1 19 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.650 -0.200 18818 10632 1 19 . 1 1 59 59 PRO C C 59 177.400 177.400 176.568 0.832 18818 10633 1 19 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.088 1.012 18818 10634 1 19 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.421 -0.521 18818 10635 1 19 . 1 1 60 60 SER N N 60 114.900 114.900 119.118 -4.218 18818 10636 1 19 . 1 1 60 60 SER HA H 60 4.340 4.340 4.234 0.106 18818 10637 1 19 . 1 1 60 60 SER C C 60 174.700 174.700 175.830 -1.130 18818 10638 1 19 . 1 1 60 60 SER CA C 60 59.100 59.100 60.095 -0.995 18818 10639 1 19 . 1 1 60 60 SER CB C 60 63.200 63.200 62.944 0.256 18818 10640 1 19 . 1 1 60 60 SER H H 60 8.360 8.360 8.546 -0.186 18818 10641 1 19 . 1 1 61 61 ASN N N 61 120.800 120.800 122.723 -1.923 18818 10642 1 19 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.294 0.516 18818 10643 1 19 . 1 1 61 61 ASN C C 61 175.500 175.500 176.914 -1.414 18818 10644 1 19 . 1 1 61 61 ASN CA C 61 53.000 53.000 56.392 -3.392 18818 10645 1 19 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.091 0.809 18818 10646 1 19 . 1 1 61 61 ASN H H 61 7.990 7.990 8.910 -0.920 18818 10647 1 19 . 1 1 62 62 CYS N N 62 117.800 117.800 120.555 -2.755 18818 10648 1 19 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.170 0.420 18818 10649 1 19 . 1 1 62 62 CYS C C 62 175.300 175.300 176.350 -1.050 18818 10650 1 19 . 1 1 62 62 CYS CA C 62 59.200 59.200 63.852 -4.652 18818 10651 1 19 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.876 -0.476 18818 10652 1 19 . 1 1 62 62 CYS H H 62 8.260 8.260 8.498 -0.238 18818 10653 1 19 . 1 1 63 63 GLY N N 63 111.300 111.300 106.203 5.097 18818 10654 1 19 . 1 1 63 63 GLY C C 63 175.600 175.600 174.979 0.621 18818 10655 1 19 . 1 1 63 63 GLY CA C 63 46.300 46.300 46.940 -0.640 18818 10656 1 19 . 1 1 63 63 GLY H H 63 8.520 8.520 8.016 0.504 18818 10657 1 19 . 1 1 64 64 LEU N N 64 122.400 122.400 121.383 1.017 18818 10658 1 19 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.195 -0.145 18818 10659 1 19 . 1 1 64 64 LEU C C 64 177.900 177.900 178.958 -1.058 18818 10660 1 19 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.276 0.324 18818 10661 1 19 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.717 0.284 18818 10662 1 19 . 1 1 64 64 LEU H H 64 7.910 7.910 7.314 0.596 18818 10663 1 19 . 1 1 65 65 GLU N N 65 117.900 117.900 119.260 -1.360 18818 10664 1 19 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.966 -0.056 18818 10665 1 19 . 1 1 65 65 GLU C C 65 179.100 179.100 178.470 0.630 18818 10666 1 19 . 1 1 65 65 GLU CA C 65 60.000 60.000 59.164 0.836 18818 10667 1 19 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.822 -0.422 18818 10668 1 19 . 1 1 65 65 GLU H H 65 8.660 8.660 7.999 0.661 18818 10669 1 19 . 1 1 66 66 GLU N N 66 120.000 120.000 119.209 0.791 18818 10670 1 19 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.103 0.017 18818 10671 1 19 . 1 1 66 66 GLU C C 66 178.200 178.200 178.790 -0.590 18818 10672 1 19 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.808 0.292 18818 10673 1 19 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.075 0.025 18818 10674 1 19 . 1 1 66 66 GLU H H 66 8.220 8.220 7.869 0.351 18818 10675 1 19 . 1 1 67 67 LYS N N 67 119.300 119.300 119.284 0.016 18818 10676 1 19 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.159 -0.019 18818 10677 1 19 . 1 1 67 67 LYS C C 67 179.400 179.400 178.919 0.481 18818 10678 1 19 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.755 1.145 18818 10679 1 19 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.011 0.089 18818 10680 1 19 . 1 1 67 67 LYS H H 67 7.780 7.780 7.831 -0.051 18818 10681 1 19 . 1 1 68 68 ILE N N 68 118.400 118.400 120.072 -1.672 18818 10682 1 19 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.673 0.047 18818 10683 1 19 . 1 1 68 68 ILE C C 68 177.800 177.800 177.626 0.174 18818 10684 1 19 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.534 -0.034 18818 10685 1 19 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.391 -0.091 18818 10686 1 19 . 1 1 68 68 ILE H H 68 8.230 8.230 7.466 0.764 18818 10687 1 19 . 1 1 69 69 ALA N N 69 122.900 122.900 121.891 1.009 18818 10688 1 19 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.979 0.241 18818 10689 1 19 . 1 1 69 69 ALA C C 69 179.600 179.600 179.377 0.223 18818 10690 1 19 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.093 -0.693 18818 10691 1 19 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.180 -0.280 18818 10692 1 19 . 1 1 69 69 ALA H H 69 8.070 8.070 8.063 0.007 18818 10693 1 19 . 1 1 70 70 ASN N N 70 115.400 115.400 116.957 -1.557 18818 10694 1 19 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.470 0.400 18818 10695 1 19 . 1 1 70 70 ASN C C 70 176.500 176.500 178.201 -1.701 18818 10696 1 19 . 1 1 70 70 ASN CA C 70 54.300 54.300 56.123 -1.823 18818 10697 1 19 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.782 -0.082 18818 10698 1 19 . 1 1 70 70 ASN H H 70 7.880 7.880 7.776 0.104 18818 10699 1 19 . 1 1 71 71 LEU N N 71 120.600 120.600 120.772 -0.172 18818 10700 1 19 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.061 0.269 18818 10701 1 19 . 1 1 71 71 LEU C C 71 178.300 178.300 178.765 -0.465 18818 10702 1 19 . 1 1 71 71 LEU CA C 71 56.300 56.300 57.603 -1.303 18818 10703 1 19 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.629 0.671 18818 10704 1 19 . 1 1 71 71 LEU H H 71 7.820 7.820 8.348 -0.528 18818 10705 1 19 . 1 1 72 72 GLY N N 72 106.800 106.800 105.440 1.360 18818 10706 1 19 . 1 1 72 72 GLY C C 72 174.400 174.400 175.448 -1.048 18818 10707 1 19 . 1 1 72 72 GLY CA C 72 45.700 45.700 46.505 -0.805 18818 10708 1 19 . 1 1 72 72 GLY H H 72 8.240 8.240 7.810 0.430 18818 10709 1 19 . 1 1 73 73 SER N N 73 115.600 115.600 115.744 -0.144 18818 10710 1 19 . 1 1 73 73 SER HA H 73 4.570 4.570 4.233 0.337 18818 10711 1 19 . 1 1 73 73 SER C C 73 175.000 175.000 174.721 0.279 18818 10712 1 19 . 1 1 73 73 SER CA C 73 58.900 58.900 60.059 -1.159 18818 10713 1 19 . 1 1 73 73 SER CB C 73 63.600 63.600 63.448 0.152 18818 10714 1 19 . 1 1 73 73 SER H H 73 8.220 8.220 7.882 0.338 18818 10715 1 19 . 1 1 74 74 CYS N N 74 119.300 119.300 119.949 -0.649 18818 10716 1 19 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.592 0.058 18818 10717 1 19 . 1 1 74 74 CYS C C 74 174.500 174.500 173.654 0.846 18818 10718 1 19 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.728 -0.028 18818 10719 1 19 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.494 -1.794 18818 10720 1 19 . 1 1 74 74 CYS H H 74 8.260 8.260 7.388 0.872 18818 10721 1 19 . 1 1 75 75 ASN N N 75 120.000 120.000 124.320 -4.320 18818 10722 1 19 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.552 0.288 18818 10723 1 19 . 1 1 75 75 ASN C C 75 174.700 174.700 177.039 -2.339 18818 10724 1 19 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.093 -1.293 18818 10725 1 19 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.973 -0.073 18818 10726 1 19 . 1 1 75 75 ASN H H 75 8.430 8.430 8.737 -0.307 18818 10727 1 19 . 1 1 76 76 ASP N N 76 119.200 119.200 119.637 -0.437 18818 10728 1 19 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.490 0.180 18818 10729 1 19 . 1 1 76 76 ASP C C 76 175.500 175.500 177.708 -2.208 18818 10730 1 19 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.274 -1.874 18818 10731 1 19 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.808 -0.208 18818 10732 1 19 . 1 1 76 76 ASP H H 76 8.300 8.300 8.608 -0.308 18818 10733 1 19 . 1 1 77 77 SER N N 77 112.800 112.800 113.877 -1.077 18818 10734 1 19 . 1 1 77 77 SER HA H 77 4.260 4.260 4.328 -0.068 18818 10735 1 19 . 1 1 77 77 SER C C 77 173.300 173.300 174.586 -1.286 18818 10736 1 19 . 1 1 77 77 SER CA C 77 59.000 59.000 58.435 0.565 18818 10737 1 19 . 1 1 77 77 SER CB C 77 63.100 63.100 63.525 -0.425 18818 10738 1 19 . 1 1 77 77 SER H H 77 8.220 8.220 7.638 0.582 18818 10739 1 19 . 1 1 78 78 LYS N N 78 120.600 120.600 118.551 2.049 18818 10740 1 19 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.887 0.673 18818 10741 1 19 . 1 1 78 78 LYS C C 78 175.300 175.300 174.752 0.548 18818 10742 1 19 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.741 -2.141 18818 10743 1 19 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.932 1.368 18818 10744 1 19 . 1 1 78 78 LYS H H 78 7.930 7.930 7.576 0.354 18818 10745 1 19 . 1 1 79 79 LEU N N 79 123.700 123.700 117.037 6.663 18818 10746 1 19 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.712 0.068 18818 10747 1 19 . 1 1 79 79 LEU C C 79 176.100 176.100 176.390 -0.290 18818 10748 1 19 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.561 0.639 18818 10749 1 19 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.696 -0.696 18818 10750 1 19 . 1 1 79 79 LEU H H 79 9.020 9.020 8.368 0.652 18818 10751 1 19 . 1 1 80 80 GLU N N 80 121.200 121.200 119.281 1.919 18818 10752 1 19 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.959 -0.059 18818 10753 1 19 . 1 1 80 80 GLU C C 80 177.100 177.100 176.218 0.882 18818 10754 1 19 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.352 0.848 18818 10755 1 19 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.870 -1.270 18818 10756 1 19 . 1 1 80 80 GLU H H 80 8.630 8.630 8.488 0.142 18818 10757 1 19 . 1 1 81 81 PHE N N 81 123.500 123.500 122.533 0.967 18818 10758 1 19 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.825 -0.295 18818 10759 1 19 . 1 1 81 81 PHE C C 81 177.000 177.000 176.783 0.217 18818 10760 1 19 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.853 -0.553 18818 10761 1 19 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.381 -0.881 18818 10762 1 19 . 1 1 81 81 PHE H H 81 9.360 9.360 8.507 0.853 18818 10763 1 19 . 1 1 82 82 ARG N N 82 116.500 116.500 118.285 -1.785 18818 10764 1 19 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.123 -0.083 18818 10765 1 19 . 1 1 82 82 ARG C C 82 178.000 178.000 178.031 -0.031 18818 10766 1 19 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.056 1.144 18818 10767 1 19 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.252 -0.052 18818 10768 1 19 . 1 1 82 82 ARG H H 82 8.940 8.940 8.779 0.161 18818 10769 1 19 . 1 1 83 83 SER N N 83 115.700 115.700 115.007 0.693 18818 10770 1 19 . 1 1 83 83 SER HA H 83 4.510 4.510 4.324 0.186 18818 10771 1 19 . 1 1 83 83 SER C C 83 175.800 175.800 176.604 -0.804 18818 10772 1 19 . 1 1 83 83 SER CA C 83 61.700 61.700 61.577 0.123 18818 10773 1 19 . 1 1 83 83 SER CB C 83 62.700 62.700 62.957 -0.257 18818 10774 1 19 . 1 1 83 83 SER H H 83 7.610 7.610 7.951 -0.341 18818 10775 1 19 . 1 1 84 84 PHE N N 84 122.200 122.200 123.090 -0.890 18818 10776 1 19 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.269 -0.049 18818 10777 1 19 . 1 1 84 84 PHE C C 84 175.000 175.000 176.369 -1.369 18818 10778 1 19 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.095 -1.095 18818 10779 1 19 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.488 -0.288 18818 10780 1 19 . 1 1 84 84 PHE H H 84 7.490 7.490 7.709 -0.219 18818 10781 1 19 . 1 1 85 85 TRP N N 85 120.700 120.700 120.477 0.223 18818 10782 1 19 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.238 -0.478 18818 10783 1 19 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.749 -0.949 18818 10784 1 19 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.655 -0.455 18818 10785 1 19 . 1 1 85 85 TRP H H 85 8.770 8.770 7.652 1.118 18818 10786 1 19 . 1 1 86 86 GLU N N 86 119.100 119.100 117.556 1.544 18818 10787 1 19 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.981 0.099 18818 10788 1 19 . 1 1 86 86 GLU C C 86 179.100 179.100 178.895 0.205 18818 10789 1 19 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.703 -0.403 18818 10790 1 19 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.358 0.142 18818 10791 1 19 . 1 1 86 86 GLU H H 86 8.150 8.150 8.431 -0.281 18818 10792 1 19 . 1 1 87 87 LEU N N 87 120.800 120.800 119.163 1.637 18818 10793 1 19 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.094 -0.044 18818 10794 1 19 . 1 1 87 87 LEU C C 87 178.900 178.900 178.749 0.151 18818 10795 1 19 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.502 1.397 18818 10796 1 19 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.921 -0.621 18818 10797 1 19 . 1 1 87 87 LEU H H 87 7.600 7.600 7.402 0.198 18818 10798 1 19 . 1 1 88 88 ILE N N 88 115.200 115.200 120.466 -5.266 18818 10799 1 19 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.400 0.180 18818 10800 1 19 . 1 1 88 88 ILE C C 88 177.300 177.300 177.626 -0.326 18818 10801 1 19 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.343 -2.343 18818 10802 1 19 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.831 -1.231 18818 10803 1 19 . 1 1 88 88 ILE H H 88 7.960 7.960 7.625 0.335 18818 10804 1 19 . 1 1 89 89 GLY N N 89 108.100 108.100 107.403 0.697 18818 10805 1 19 . 1 1 89 89 GLY C C 89 175.700 175.700 175.417 0.283 18818 10806 1 19 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.023 -1.623 18818 10807 1 19 . 1 1 89 89 GLY H H 89 7.620 7.620 7.816 -0.196 18818 10808 1 19 . 1 1 90 90 GLU N N 90 120.000 120.000 121.232 -1.232 18818 10809 1 19 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.116 -0.156 18818 10810 1 19 . 1 1 90 90 GLU C C 90 179.100 179.100 179.029 0.071 18818 10811 1 19 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.936 0.264 18818 10812 1 19 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.326 -0.526 18818 10813 1 19 . 1 1 90 90 GLU H H 90 7.410 7.410 7.574 -0.164 18818 10814 1 19 . 1 1 91 91 ALA N N 91 122.400 122.400 123.049 -0.649 18818 10815 1 19 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.960 0.060 18818 10816 1 19 . 1 1 91 91 ALA C C 91 178.700 178.700 179.312 -0.612 18818 10817 1 19 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.916 -0.916 18818 10818 1 19 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.119 -0.119 18818 10819 1 19 . 1 1 91 91 ALA H H 91 7.610 7.610 7.662 -0.052 18818 10820 1 19 . 1 1 92 92 ALA N N 92 118.000 118.000 118.712 -0.712 18818 10821 1 19 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.250 -0.580 18818 10822 1 19 . 1 1 92 92 ALA C C 92 177.900 177.900 178.575 -0.675 18818 10823 1 19 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.439 0.461 18818 10824 1 19 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.440 -0.540 18818 10825 1 19 . 1 1 92 92 ALA H H 92 7.740 7.740 7.953 -0.213 18818 10826 1 19 . 1 1 93 93 LYS N N 93 114.600 114.600 118.110 -3.510 18818 10827 1 19 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.183 -0.413 18818 10828 1 19 . 1 1 93 93 LYS C C 93 177.000 177.000 177.804 -0.804 18818 10829 1 19 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.638 -1.138 18818 10830 1 19 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.696 -0.896 18818 10831 1 19 . 1 1 93 93 LYS H H 93 7.200 7.200 7.514 -0.314 18818 10832 1 19 . 1 1 94 94 SER N N 94 113.000 113.000 110.933 2.067 18818 10833 1 19 . 1 1 94 94 SER HA H 94 4.450 4.450 4.539 -0.089 18818 10834 1 19 . 1 1 94 94 SER C C 94 174.500 174.500 174.455 0.045 18818 10835 1 19 . 1 1 94 94 SER CA C 94 58.800 58.800 59.292 -0.492 18818 10836 1 19 . 1 1 94 94 SER CB C 94 63.900 63.900 64.623 -0.723 18818 10837 1 19 . 1 1 94 94 SER H H 94 7.530 7.530 7.727 -0.197 18818 10838 1 19 . 1 1 95 95 VAL N N 95 122.100 122.100 118.404 3.696 18818 10839 1 19 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.388 -0.448 18818 10840 1 19 . 1 1 95 95 VAL C C 95 175.400 175.400 174.009 1.391 18818 10841 1 19 . 1 1 95 95 VAL CA C 95 63.200 63.200 60.846 2.354 18818 10842 1 19 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.877 -2.377 18818 10843 1 19 . 1 1 95 95 VAL H H 95 7.440 7.440 7.221 0.219 18818 10844 1 19 . 1 1 96 96 LYS N N 96 126.300 126.300 123.759 2.541 18818 10845 1 19 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.516 -0.116 18818 10846 1 19 . 1 1 96 96 LYS C C 96 176.000 176.000 175.469 0.531 18818 10847 1 19 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.309 0.191 18818 10848 1 19 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.162 -2.662 18818 10849 1 19 . 1 1 96 96 LYS H H 96 8.470 8.470 8.398 0.072 18818 10850 1 19 . 1 1 97 97 LEU N N 97 123.400 123.400 123.921 -0.521 18818 10851 1 19 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.407 0.003 18818 10852 1 19 . 1 1 97 97 LEU C C 97 176.700 176.700 176.707 -0.007 18818 10853 1 19 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.412 -1.012 18818 10854 1 19 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.351 -0.051 18818 10855 1 19 . 1 1 97 97 LEU H H 97 8.140 8.140 8.340 -0.200 18818 10856 1 19 . 1 1 98 98 GLU N N 98 121.400 121.400 124.147 -2.747 18818 10857 1 19 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.123 0.217 18818 10858 1 19 . 1 1 98 98 GLU C C 98 175.900 175.900 175.556 0.344 18818 10859 1 19 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.228 -1.028 18818 10860 1 19 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.774 0.326 18818 10861 1 19 . 1 1 98 98 GLU H H 98 8.320 8.320 8.471 -0.151 18818 10862 1 19 . 1 1 99 99 ARG N N 99 122.800 122.800 124.703 -1.903 18818 10863 1 19 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.716 0.094 18818 10864 1 19 . 1 1 99 99 ARG C C 99 173.900 173.900 174.273 -0.373 18818 10865 1 19 . 1 1 99 99 ARG CA C 99 53.600 53.600 52.798 0.802 18818 10866 1 19 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.808 0.092 18818 10867 1 19 . 1 1 99 99 ARG H H 99 8.280 8.280 8.142 0.138 18818 10868 1 19 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.512 0.008 18818 10869 1 19 . 1 1 100 100 PRO C C 100 176.700 176.700 176.291 0.409 18818 10870 1 19 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.066 -0.266 18818 10871 1 19 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.638 0.062 18818 10872 1 19 . 1 1 101 101 VAL N N 101 120.500 120.500 122.263 -1.763 18818 10873 1 19 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.444 -0.314 18818 10874 1 19 . 1 1 101 101 VAL C C 101 176.000 176.000 175.412 0.588 18818 10875 1 19 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.148 -0.048 18818 10876 1 19 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.385 -2.185 18818 10877 1 19 . 1 1 101 101 VAL H H 101 8.230 8.230 8.398 -0.168 18818 10878 1 19 . 1 1 102 102 ARG N N 102 124.600 124.600 126.013 -1.413 18818 10879 1 19 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.442 -0.022 18818 10880 1 19 . 1 1 102 102 ARG C C 102 176.400 176.400 176.401 -0.001 18818 10881 1 19 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.986 -0.086 18818 10882 1 19 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.956 -0.256 18818 10883 1 19 . 1 1 102 102 ARG H H 102 8.390 8.390 8.814 -0.424 18818 10884 1 19 . 1 1 103 103 GLY N N 103 110.400 110.400 110.084 0.316 18818 10885 1 19 . 1 1 103 103 GLY C C 103 172.900 172.900 175.371 -2.471 18818 10886 1 19 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.094 -0.094 18818 10887 1 19 . 1 1 103 103 GLY H H 103 8.400 8.400 8.214 0.186 18818 10888 1 20 . 1 1 5 5 ARG N N 5 124.100 124.100 123.388 0.712 18818 10889 1 20 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.230 -0.180 18818 10890 1 20 . 1 1 5 5 ARG C C 5 173.800 173.800 175.002 -1.202 18818 10891 1 20 . 1 1 5 5 ARG CA C 5 56.000 56.000 57.044 -1.044 18818 10892 1 20 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.439 0.261 18818 10893 1 20 . 1 1 5 5 ARG H H 5 8.570 8.570 8.374 0.196 18818 10894 1 20 . 1 1 6 6 SER N N 6 117.500 117.500 116.990 0.510 18818 10895 1 20 . 1 1 6 6 SER HA H 6 4.510 4.510 4.599 -0.089 18818 10896 1 20 . 1 1 6 6 SER C C 6 174.100 174.100 173.636 0.464 18818 10897 1 20 . 1 1 6 6 SER CA C 6 58.000 58.000 58.388 -0.388 18818 10898 1 20 . 1 1 6 6 SER CB C 6 63.700 63.700 62.921 0.779 18818 10899 1 20 . 1 1 6 6 SER H H 6 8.370 8.370 8.621 -0.251 18818 10900 1 20 . 1 1 7 7 ALA N N 7 125.900 125.900 128.290 -2.390 18818 10901 1 20 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.659 -0.259 18818 10902 1 20 . 1 1 7 7 ALA C C 7 177.200 177.200 177.376 -0.176 18818 10903 1 20 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.885 0.715 18818 10904 1 20 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.548 -0.548 18818 10905 1 20 . 1 1 7 7 ALA H H 7 8.410 8.410 8.449 -0.039 18818 10906 1 20 . 1 1 8 8 ASN N N 8 117.400 117.400 120.307 -2.907 18818 10907 1 20 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.291 0.479 18818 10908 1 20 . 1 1 8 8 ASN C C 8 174.900 174.900 176.762 -1.862 18818 10909 1 20 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.436 -3.536 18818 10910 1 20 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.403 0.397 18818 10911 1 20 . 1 1 8 8 ASN H H 8 8.360 8.360 8.943 -0.583 18818 10912 1 20 . 1 1 9 9 ALA N N 9 124.400 124.400 117.874 6.526 18818 10913 1 20 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.370 -0.020 18818 10914 1 20 . 1 1 9 9 ALA C C 9 177.800 177.800 179.409 -1.609 18818 10915 1 20 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.581 -0.881 18818 10916 1 20 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.316 -0.416 18818 10917 1 20 . 1 1 9 9 ALA H H 9 8.270 8.270 8.149 0.121 18818 10918 1 20 . 1 1 10 10 GLU N N 10 119.300 119.300 120.446 -1.146 18818 10919 1 20 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.149 0.161 18818 10920 1 20 . 1 1 10 10 GLU C C 10 176.400 176.400 177.730 -1.330 18818 10921 1 20 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.478 -1.578 18818 10922 1 20 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.605 -0.005 18818 10923 1 20 . 1 1 10 10 GLU H H 10 8.470 8.470 8.085 0.385 18818 10924 1 20 . 1 1 11 11 ASP N N 11 120.600 120.600 117.998 2.602 18818 10925 1 20 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.617 -0.007 18818 10926 1 20 . 1 1 11 11 ASP C C 11 176.100 176.100 175.362 0.738 18818 10927 1 20 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.557 0.743 18818 10928 1 20 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.120 -0.320 18818 10929 1 20 . 1 1 11 11 ASP H H 11 8.200 8.200 7.816 0.384 18818 10930 1 20 . 1 1 12 12 ALA N N 12 123.800 123.800 120.163 3.637 18818 10931 1 20 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.088 0.002 18818 10932 1 20 . 1 1 12 12 ALA C C 12 177.800 177.800 175.864 1.936 18818 10933 1 20 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.153 -0.653 18818 10934 1 20 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.383 0.417 18818 10935 1 20 . 1 1 12 12 ALA H H 12 8.070 8.070 7.384 0.686 18818 10936 1 20 . 1 1 13 13 GLN N N 13 118.500 118.500 118.766 -0.266 18818 10937 1 20 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.585 -0.315 18818 10938 1 20 . 1 1 13 13 GLN C C 13 175.700 175.700 176.606 -0.906 18818 10939 1 20 . 1 1 13 13 GLN CA C 13 55.900 55.900 54.801 1.099 18818 10940 1 20 . 1 1 13 13 GLN CB C 13 29.100 29.100 31.810 -2.710 18818 10941 1 20 . 1 1 13 13 GLN H H 13 8.230 8.230 8.569 -0.339 18818 10942 1 20 . 1 1 14 14 GLU N N 14 120.600 120.600 118.752 1.848 18818 10943 1 20 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.104 0.196 18818 10944 1 20 . 1 1 14 14 GLU C C 14 175.800 175.800 175.892 -0.092 18818 10945 1 20 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.560 -1.760 18818 10946 1 20 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.293 0.607 18818 10947 1 20 . 1 1 14 14 GLU H H 14 8.100 8.100 8.452 -0.352 18818 10948 1 20 . 1 1 15 15 PHE N N 15 121.100 121.100 117.790 3.310 18818 10949 1 20 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.902 -0.022 18818 10950 1 20 . 1 1 15 15 PHE C C 15 176.900 176.900 176.659 0.241 18818 10951 1 20 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.428 -0.128 18818 10952 1 20 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.719 -0.419 18818 10953 1 20 . 1 1 15 15 PHE H H 15 8.030 8.030 7.287 0.743 18818 10954 1 20 . 1 1 16 16 SER N N 16 119.400 119.400 117.185 2.215 18818 10955 1 20 . 1 1 16 16 SER HA H 16 4.850 4.850 4.442 0.408 18818 10956 1 20 . 1 1 16 16 SER C C 16 174.800 174.800 175.774 -0.974 18818 10957 1 20 . 1 1 16 16 SER CA C 16 57.000 57.000 58.182 -1.182 18818 10958 1 20 . 1 1 16 16 SER CB C 16 65.600 65.600 64.558 1.042 18818 10959 1 20 . 1 1 16 16 SER H H 16 9.530 9.530 8.509 1.021 18818 10960 1 20 . 1 1 17 17 ASP N N 17 121.300 121.300 120.689 0.611 18818 10961 1 20 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.461 0.089 18818 10962 1 20 . 1 1 17 17 ASP C C 17 179.700 179.700 177.599 2.101 18818 10963 1 20 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.673 0.327 18818 10964 1 20 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.535 -1.035 18818 10965 1 20 . 1 1 17 17 ASP H H 17 9.270 9.270 8.857 0.413 18818 10966 1 20 . 1 1 18 18 VAL N N 18 120.600 120.600 119.692 0.908 18818 10967 1 20 . 1 1 18 18 VAL HA H 18 3.680 3.680 4.028 -0.348 18818 10968 1 20 . 1 1 18 18 VAL C C 18 176.900 176.900 176.950 -0.050 18818 10969 1 20 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.746 1.754 18818 10970 1 20 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.202 -0.302 18818 10971 1 20 . 1 1 18 18 VAL H H 18 8.230 8.230 7.515 0.715 18818 10972 1 20 . 1 1 19 19 GLU N N 19 121.000 121.000 120.139 0.861 18818 10973 1 20 . 1 1 19 19 GLU HA H 19 3.740 3.740 3.899 -0.159 18818 10974 1 20 . 1 1 19 19 GLU C C 19 178.600 178.600 178.733 -0.133 18818 10975 1 20 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.603 0.397 18818 10976 1 20 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.544 -0.844 18818 10977 1 20 . 1 1 19 19 GLU H H 19 8.180 8.180 7.947 0.233 18818 10978 1 20 . 1 1 20 20 ARG N N 20 118.100 118.100 117.358 0.742 18818 10979 1 20 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.537 -0.237 18818 10980 1 20 . 1 1 20 20 ARG C C 20 178.700 178.700 178.024 0.676 18818 10981 1 20 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.073 0.027 18818 10982 1 20 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.048 -0.348 18818 10983 1 20 . 1 1 20 20 ARG H H 20 8.920 8.920 8.605 0.315 18818 10984 1 20 . 1 1 21 21 ALA N N 21 123.800 123.800 123.985 -0.185 18818 10985 1 20 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.175 0.245 18818 10986 1 20 . 1 1 21 21 ALA C C 21 179.300 179.300 179.696 -0.396 18818 10987 1 20 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.883 0.317 18818 10988 1 20 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.169 -0.269 18818 10989 1 20 . 1 1 21 21 ALA H H 21 8.060 8.060 7.644 0.416 18818 10990 1 20 . 1 1 22 22 ILE N N 22 118.200 118.200 118.861 -0.661 18818 10991 1 20 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.699 0.021 18818 10992 1 20 . 1 1 22 22 ILE C C 22 177.500 177.500 178.030 -0.530 18818 10993 1 20 . 1 1 22 22 ILE CA C 22 66.000 66.000 66.034 -0.034 18818 10994 1 20 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.736 -0.336 18818 10995 1 20 . 1 1 22 22 ILE H H 22 8.010 8.010 7.707 0.303 18818 10996 1 20 . 1 1 23 23 GLU N N 23 120.100 120.100 119.822 0.278 18818 10997 1 20 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.085 -0.125 18818 10998 1 20 . 1 1 23 23 GLU C C 23 178.000 178.000 179.019 -1.019 18818 10999 1 20 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.020 0.280 18818 11000 1 20 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.738 -0.238 18818 11001 1 20 . 1 1 23 23 GLU H H 23 8.450 8.450 7.887 0.563 18818 11002 1 20 . 1 1 24 24 THR N N 24 117.300 117.300 116.721 0.579 18818 11003 1 20 . 1 1 24 24 THR HA H 24 4.010 4.010 4.160 -0.150 18818 11004 1 20 . 1 1 24 24 THR C C 24 177.000 177.000 176.950 0.050 18818 11005 1 20 . 1 1 24 24 THR CA C 24 67.100 67.100 67.051 0.049 18818 11006 1 20 . 1 1 24 24 THR CB C 24 68.200 68.200 68.501 -0.301 18818 11007 1 20 . 1 1 24 24 THR H H 24 8.720 8.720 8.087 0.633 18818 11008 1 20 . 1 1 25 25 LEU N N 25 123.400 123.400 121.861 1.539 18818 11009 1 20 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.215 0.065 18818 11010 1 20 . 1 1 25 25 LEU C C 25 178.200 178.200 178.770 -0.570 18818 11011 1 20 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.864 1.436 18818 11012 1 20 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.490 0.210 18818 11013 1 20 . 1 1 25 25 LEU H H 25 8.150 8.150 7.856 0.294 18818 11014 1 20 . 1 1 26 26 ILE N N 26 119.500 119.500 119.576 -0.076 18818 11015 1 20 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.638 0.362 18818 11016 1 20 . 1 1 26 26 ILE C C 26 177.900 177.900 178.508 -0.608 18818 11017 1 20 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.715 0.385 18818 11018 1 20 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.727 0.573 18818 11019 1 20 . 1 1 26 26 ILE H H 26 8.510 8.510 8.134 0.376 18818 11020 1 20 . 1 1 27 27 LYS N N 27 120.500 120.500 118.615 1.885 18818 11021 1 20 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.191 -0.041 18818 11022 1 20 . 1 1 27 27 LYS C C 27 179.600 179.600 179.061 0.539 18818 11023 1 20 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.734 0.366 18818 11024 1 20 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.784 0.216 18818 11025 1 20 . 1 1 27 27 LYS H H 27 9.000 9.000 8.659 0.341 18818 11026 1 20 . 1 1 28 28 ASN N N 28 117.300 117.300 115.905 1.395 18818 11027 1 20 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.655 -0.095 18818 11028 1 20 . 1 1 28 28 ASN C C 28 176.000 176.000 176.494 -0.494 18818 11029 1 20 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.782 1.918 18818 11030 1 20 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.315 1.985 18818 11031 1 20 . 1 1 28 28 ASN H H 28 7.990 7.990 7.720 0.270 18818 11032 1 20 . 1 1 29 29 PHE N N 29 119.100 119.100 121.264 -2.164 18818 11033 1 20 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.381 0.529 18818 11034 1 20 . 1 1 29 29 PHE C C 29 176.200 176.200 176.744 -0.544 18818 11035 1 20 . 1 1 29 29 PHE CA C 29 61.200 61.200 60.827 0.373 18818 11036 1 20 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.441 0.159 18818 11037 1 20 . 1 1 29 29 PHE H H 29 7.990 7.990 7.620 0.370 18818 11038 1 20 . 1 1 30 30 HIS N N 30 114.700 114.700 116.920 -2.220 18818 11039 1 20 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.098 0.222 18818 11040 1 20 . 1 1 30 30 HIS C C 30 177.400 177.400 177.408 -0.008 18818 11041 1 20 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.182 -0.682 18818 11042 1 20 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.670 -0.070 18818 11043 1 20 . 1 1 30 30 HIS H H 30 8.180 8.180 7.478 0.702 18818 11044 1 20 . 1 1 31 31 GLN N N 31 118.500 118.500 115.647 2.853 18818 11045 1 20 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.109 -0.029 18818 11046 1 20 . 1 1 31 31 GLN C C 31 176.600 176.600 176.707 -0.107 18818 11047 1 20 . 1 1 31 31 GLN CA C 31 57.800 57.800 56.915 0.885 18818 11048 1 20 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.034 0.366 18818 11049 1 20 . 1 1 31 31 GLN H H 31 8.280 8.280 8.218 0.062 18818 11050 1 20 . 1 1 32 32 TYR N N 32 115.700 115.700 117.953 -2.253 18818 11051 1 20 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.460 -0.250 18818 11052 1 20 . 1 1 32 32 TYR C C 32 174.800 174.800 175.991 -1.191 18818 11053 1 20 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.737 0.963 18818 11054 1 20 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.357 -1.657 18818 11055 1 20 . 1 1 32 32 TYR H H 32 7.410 7.410 7.675 -0.265 18818 11056 1 20 . 1 1 33 33 SER N N 33 114.000 114.000 117.481 -3.481 18818 11057 1 20 . 1 1 33 33 SER HA H 33 4.530 4.530 4.254 0.276 18818 11058 1 20 . 1 1 33 33 SER C C 33 175.000 175.000 175.141 -0.141 18818 11059 1 20 . 1 1 33 33 SER CA C 33 57.200 57.200 57.634 -0.434 18818 11060 1 20 . 1 1 33 33 SER CB C 33 63.200 63.200 60.692 2.508 18818 11061 1 20 . 1 1 33 33 SER H H 33 7.260 7.260 8.092 -0.832 18818 11062 1 20 . 1 1 34 34 VAL N N 34 126.600 126.600 121.034 5.566 18818 11063 1 20 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.353 -0.343 18818 11064 1 20 . 1 1 34 34 VAL C C 34 177.800 177.800 176.605 1.195 18818 11065 1 20 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.542 0.858 18818 11066 1 20 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.358 -0.258 18818 11067 1 20 . 1 1 34 34 VAL H H 34 8.490 8.490 8.217 0.273 18818 11068 1 20 . 1 1 35 35 GLU N N 35 122.100 122.100 120.675 1.425 18818 11069 1 20 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.383 -0.133 18818 11070 1 20 . 1 1 35 35 GLU C C 35 177.800 177.800 178.949 -1.149 18818 11071 1 20 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.339 0.161 18818 11072 1 20 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.639 -0.839 18818 11073 1 20 . 1 1 35 35 GLU H H 35 8.980 8.980 8.557 0.423 18818 11074 1 20 . 1 1 36 36 GLY N N 36 108.500 108.500 108.024 0.476 18818 11075 1 20 . 1 1 36 36 GLY C C 36 175.000 175.000 174.438 0.562 18818 11076 1 20 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.424 0.876 18818 11077 1 20 . 1 1 36 36 GLY H H 36 8.490 8.490 8.058 0.432 18818 11078 1 20 . 1 1 37 37 GLY N N 37 108.700 108.700 109.962 -1.262 18818 11079 1 20 . 1 1 37 37 GLY C C 37 174.100 174.100 173.423 0.677 18818 11080 1 20 . 1 1 37 37 GLY CA C 37 45.800 45.800 46.317 -0.517 18818 11081 1 20 . 1 1 37 37 GLY H H 37 8.140 8.140 7.907 0.233 18818 11082 1 20 . 1 1 38 38 LYS N N 38 118.000 118.000 124.553 -6.553 18818 11083 1 20 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.934 -0.464 18818 11084 1 20 . 1 1 38 38 LYS C C 38 176.000 176.000 175.665 0.335 18818 11085 1 20 . 1 1 38 38 LYS CA C 38 56.100 56.100 55.898 0.202 18818 11086 1 20 . 1 1 38 38 LYS CB C 38 32.700 32.700 33.486 -0.786 18818 11087 1 20 . 1 1 38 38 LYS H H 38 8.050 8.050 8.315 -0.265 18818 11088 1 20 . 1 1 39 39 GLU N N 39 118.100 118.100 117.008 1.092 18818 11089 1 20 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.966 -0.406 18818 11090 1 20 . 1 1 39 39 GLU C C 39 175.600 175.600 176.318 -0.718 18818 11091 1 20 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.500 0.300 18818 11092 1 20 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.082 -1.882 18818 11093 1 20 . 1 1 39 39 GLU H H 39 8.630 8.630 8.000 0.630 18818 11094 1 20 . 1 1 40 40 THR N N 40 108.100 108.100 111.378 -3.278 18818 11095 1 20 . 1 1 40 40 THR HA H 40 5.160 5.160 4.789 0.371 18818 11096 1 20 . 1 1 40 40 THR C C 40 173.400 173.400 172.455 0.945 18818 11097 1 20 . 1 1 40 40 THR CA C 40 59.300 59.300 60.308 -1.008 18818 11098 1 20 . 1 1 40 40 THR CB C 40 72.100 72.100 72.132 -0.032 18818 11099 1 20 . 1 1 40 40 THR H H 40 7.490 7.490 8.029 -0.539 18818 11100 1 20 . 1 1 41 41 LEU N N 41 120.700 120.700 122.629 -1.929 18818 11101 1 20 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.731 0.309 18818 11102 1 20 . 1 1 41 41 LEU C C 41 177.000 177.000 175.549 1.451 18818 11103 1 20 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.545 -1.245 18818 11104 1 20 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.037 0.263 18818 11105 1 20 . 1 1 41 41 LEU H H 41 8.660 8.660 8.645 0.015 18818 11106 1 20 . 1 1 42 42 THR N N 42 113.500 113.500 116.379 -2.879 18818 11107 1 20 . 1 1 42 42 THR HA H 42 5.000 5.000 4.801 0.199 18818 11108 1 20 . 1 1 42 42 THR C C 42 174.100 174.100 173.550 0.550 18818 11109 1 20 . 1 1 42 42 THR CA C 42 59.800 59.800 59.284 0.516 18818 11110 1 20 . 1 1 42 42 THR CB C 42 68.100 68.100 69.912 -1.812 18818 11111 1 20 . 1 1 42 42 THR H H 42 9.130 9.130 8.434 0.696 18818 11112 1 20 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.144 0.006 18818 11113 1 20 . 1 1 43 43 PRO C C 43 178.600 178.600 178.696 -0.096 18818 11114 1 20 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.249 -0.049 18818 11115 1 20 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.628 0.072 18818 11116 1 20 . 1 1 44 44 SER N N 44 111.600 111.600 113.321 -1.721 18818 11117 1 20 . 1 1 44 44 SER HA H 44 4.170 4.170 4.190 -0.020 18818 11118 1 20 . 1 1 44 44 SER C C 44 176.200 176.200 176.472 -0.272 18818 11119 1 20 . 1 1 44 44 SER CA C 44 61.500 61.500 62.630 -1.130 18818 11120 1 20 . 1 1 44 44 SER CB C 44 62.200 62.200 62.880 -0.680 18818 11121 1 20 . 1 1 44 44 SER H H 44 8.090 8.090 7.934 0.156 18818 11122 1 20 . 1 1 45 45 GLU N N 45 123.900 123.900 121.492 2.408 18818 11123 1 20 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.220 0.040 18818 11124 1 20 . 1 1 45 45 GLU C C 45 179.000 179.000 178.558 0.442 18818 11125 1 20 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.493 0.607 18818 11126 1 20 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.278 0.422 18818 11127 1 20 . 1 1 45 45 GLU H H 45 7.700 7.700 7.696 0.004 18818 11128 1 20 . 1 1 46 46 LEU N N 46 118.900 118.900 122.524 -3.624 18818 11129 1 20 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.951 0.129 18818 11130 1 20 . 1 1 46 46 LEU C C 46 177.600 177.600 178.890 -1.290 18818 11131 1 20 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.287 -0.987 18818 11132 1 20 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.982 -1.082 18818 11133 1 20 . 1 1 46 46 LEU H H 46 8.400 8.400 8.479 -0.079 18818 11134 1 20 . 1 1 47 47 ARG N N 47 119.300 119.300 117.853 1.447 18818 11135 1 20 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.882 -0.112 18818 11136 1 20 . 1 1 47 47 ARG C C 47 178.900 178.900 178.496 0.404 18818 11137 1 20 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.972 0.028 18818 11138 1 20 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.904 -0.904 18818 11139 1 20 . 1 1 47 47 ARG H H 47 8.260 8.260 8.242 0.018 18818 11140 1 20 . 1 1 48 48 ASP N N 48 122.300 122.300 119.692 2.608 18818 11141 1 20 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.481 -0.051 18818 11142 1 20 . 1 1 48 48 ASP C C 48 176.700 176.700 178.579 -1.879 18818 11143 1 20 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.457 0.043 18818 11144 1 20 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.092 -1.692 18818 11145 1 20 . 1 1 48 48 ASP H H 48 8.160 8.160 7.656 0.504 18818 11146 1 20 . 1 1 49 49 LEU N N 49 122.600 122.600 118.416 4.184 18818 11147 1 20 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.623 -0.453 18818 11148 1 20 . 1 1 49 49 LEU C C 49 179.100 179.100 178.228 0.872 18818 11149 1 20 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.758 1.242 18818 11150 1 20 . 1 1 49 49 LEU CB C 49 41.300 41.300 40.697 0.603 18818 11151 1 20 . 1 1 49 49 LEU H H 49 7.980 7.980 7.957 0.023 18818 11152 1 20 . 1 1 50 50 VAL N N 50 118.200 118.200 120.342 -2.142 18818 11153 1 20 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.553 -0.003 18818 11154 1 20 . 1 1 50 50 VAL C C 50 178.800 178.800 178.069 0.731 18818 11155 1 20 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.378 -0.978 18818 11156 1 20 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.229 0.271 18818 11157 1 20 . 1 1 50 50 VAL H H 50 8.390 8.390 7.933 0.457 18818 11158 1 20 . 1 1 51 51 THR N N 51 115.000 115.000 112.566 2.434 18818 11159 1 20 . 1 1 51 51 THR HA H 51 3.990 3.990 4.003 -0.013 18818 11160 1 20 . 1 1 51 51 THR C C 51 176.000 176.000 175.951 0.049 18818 11161 1 20 . 1 1 51 51 THR CA C 51 65.800 65.800 64.957 0.843 18818 11162 1 20 . 1 1 51 51 THR CB C 51 68.900 68.900 68.572 0.328 18818 11163 1 20 . 1 1 51 51 THR H H 51 8.480 8.480 7.580 0.900 18818 11164 1 20 . 1 1 52 52 GLN N N 52 116.400 116.400 118.393 -1.993 18818 11165 1 20 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.334 -0.084 18818 11166 1 20 . 1 1 52 52 GLN C C 52 178.300 178.300 177.424 0.876 18818 11167 1 20 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.733 0.067 18818 11168 1 20 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.235 -0.735 18818 11169 1 20 . 1 1 52 52 GLN H H 52 8.180 8.180 7.579 0.601 18818 11170 1 20 . 1 1 53 53 GLN N N 53 112.100 112.100 117.613 -5.513 18818 11171 1 20 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.478 0.372 18818 11172 1 20 . 1 1 53 53 GLN C C 53 176.900 176.900 176.614 0.286 18818 11173 1 20 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.810 -1.810 18818 11174 1 20 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.292 -1.892 18818 11175 1 20 . 1 1 53 53 GLN H H 53 8.490 8.490 8.229 0.261 18818 11176 1 20 . 1 1 54 54 LEU N N 54 119.800 119.800 119.395 0.405 18818 11177 1 20 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.895 0.355 18818 11178 1 20 . 1 1 54 54 LEU C C 54 176.900 176.900 174.659 2.241 18818 11179 1 20 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.532 1.368 18818 11180 1 20 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.709 0.391 18818 11181 1 20 . 1 1 54 54 LEU H H 54 7.920 7.920 8.118 -0.198 18818 11182 1 20 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.298 0.172 18818 11183 1 20 . 1 1 55 55 PRO C C 55 178.300 178.300 177.213 1.087 18818 11184 1 20 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.741 0.559 18818 11185 1 20 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.669 -0.969 18818 11186 1 20 . 1 1 56 56 HIS N N 56 116.500 116.500 115.959 0.541 18818 11187 1 20 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.537 0.053 18818 11188 1 20 . 1 1 56 56 HIS C C 56 176.300 176.300 176.384 -0.084 18818 11189 1 20 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.204 -0.404 18818 11190 1 20 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.573 -1.273 18818 11191 1 20 . 1 1 56 56 HIS H H 56 9.770 9.770 8.338 1.432 18818 11192 1 20 . 1 1 57 57 LEU N N 57 116.600 116.600 119.073 -2.473 18818 11193 1 20 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.309 0.021 18818 11194 1 20 . 1 1 57 57 LEU C C 57 176.400 176.400 176.160 0.240 18818 11195 1 20 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.269 -0.869 18818 11196 1 20 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.441 0.059 18818 11197 1 20 . 1 1 57 57 LEU H H 57 7.830 7.830 7.871 -0.041 18818 11198 1 20 . 1 1 58 58 MET N N 58 118.000 118.000 115.960 2.040 18818 11199 1 20 . 1 1 58 58 MET HA H 58 4.540 4.540 4.805 -0.265 18818 11200 1 20 . 1 1 58 58 MET C C 58 171.600 171.600 173.090 -1.490 18818 11201 1 20 . 1 1 58 58 MET CA C 58 53.500 53.500 51.782 1.718 18818 11202 1 20 . 1 1 58 58 MET CB C 58 32.700 32.700 33.116 -0.416 18818 11203 1 20 . 1 1 58 58 MET H H 58 7.970 7.970 7.927 0.043 18818 11204 1 20 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.485 -0.035 18818 11205 1 20 . 1 1 59 59 PRO C C 59 177.400 177.400 178.272 -0.872 18818 11206 1 20 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.492 0.607 18818 11207 1 20 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.780 -0.880 18818 11208 1 20 . 1 1 60 60 SER N N 60 114.900 114.900 117.958 -3.058 18818 11209 1 20 . 1 1 60 60 SER HA H 60 4.340 4.340 3.945 0.395 18818 11210 1 20 . 1 1 60 60 SER C C 60 174.700 174.700 176.465 -1.765 18818 11211 1 20 . 1 1 60 60 SER CA C 60 59.100 59.100 61.698 -2.598 18818 11212 1 20 . 1 1 60 60 SER CB C 60 63.200 63.200 63.004 0.196 18818 11213 1 20 . 1 1 60 60 SER H H 60 8.360 8.360 8.930 -0.570 18818 11214 1 20 . 1 1 61 61 ASN N N 61 120.800 120.800 119.405 1.395 18818 11215 1 20 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.524 0.286 18818 11216 1 20 . 1 1 61 61 ASN C C 61 175.500 175.500 176.195 -0.695 18818 11217 1 20 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.195 -2.195 18818 11218 1 20 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.407 -0.507 18818 11219 1 20 . 1 1 61 61 ASN H H 61 7.990 7.990 8.084 -0.094 18818 11220 1 20 . 1 1 62 62 CYS N N 62 117.800 117.800 117.743 0.057 18818 11221 1 20 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.323 0.267 18818 11222 1 20 . 1 1 62 62 CYS C C 62 175.300 175.300 175.096 0.204 18818 11223 1 20 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.140 -0.940 18818 11224 1 20 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.289 -0.889 18818 11225 1 20 . 1 1 62 62 CYS H H 62 8.260 8.260 7.757 0.503 18818 11226 1 20 . 1 1 63 63 GLY N N 63 111.300 111.300 109.665 1.635 18818 11227 1 20 . 1 1 63 63 GLY C C 63 175.600 175.600 175.083 0.517 18818 11228 1 20 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.920 1.380 18818 11229 1 20 . 1 1 63 63 GLY H H 63 8.520 8.520 7.612 0.908 18818 11230 1 20 . 1 1 64 64 LEU N N 64 122.400 122.400 120.313 2.087 18818 11231 1 20 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.131 -0.081 18818 11232 1 20 . 1 1 64 64 LEU C C 64 177.900 177.900 178.035 -0.135 18818 11233 1 20 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.312 1.288 18818 11234 1 20 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.005 0.995 18818 11235 1 20 . 1 1 64 64 LEU H H 64 7.910 7.910 8.271 -0.361 18818 11236 1 20 . 1 1 65 65 GLU N N 65 117.900 117.900 120.526 -2.626 18818 11237 1 20 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.867 0.043 18818 11238 1 20 . 1 1 65 65 GLU C C 65 179.100 179.100 177.911 1.189 18818 11239 1 20 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.802 1.198 18818 11240 1 20 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.244 0.156 18818 11241 1 20 . 1 1 65 65 GLU H H 65 8.660 8.660 8.071 0.589 18818 11242 1 20 . 1 1 66 66 GLU N N 66 120.000 120.000 120.794 -0.794 18818 11243 1 20 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.028 0.092 18818 11244 1 20 . 1 1 66 66 GLU C C 66 178.200 178.200 178.665 -0.465 18818 11245 1 20 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.179 -0.079 18818 11246 1 20 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.475 -0.375 18818 11247 1 20 . 1 1 66 66 GLU H H 66 8.220 8.220 8.358 -0.138 18818 11248 1 20 . 1 1 67 67 LYS N N 67 119.300 119.300 116.023 3.277 18818 11249 1 20 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.186 -0.046 18818 11250 1 20 . 1 1 67 67 LYS C C 67 179.400 179.400 178.037 1.363 18818 11251 1 20 . 1 1 67 67 LYS CA C 67 58.900 58.900 56.725 2.175 18818 11252 1 20 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.126 -0.026 18818 11253 1 20 . 1 1 67 67 LYS H H 67 7.780 7.780 7.664 0.116 18818 11254 1 20 . 1 1 68 68 ILE N N 68 118.400 118.400 119.660 -1.260 18818 11255 1 20 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.912 -0.192 18818 11256 1 20 . 1 1 68 68 ILE C C 68 177.800 177.800 177.087 0.713 18818 11257 1 20 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.426 1.074 18818 11258 1 20 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.405 -1.105 18818 11259 1 20 . 1 1 68 68 ILE H H 68 8.230 8.230 7.493 0.737 18818 11260 1 20 . 1 1 69 69 ALA N N 69 122.900 122.900 121.378 1.522 18818 11261 1 20 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.035 0.185 18818 11262 1 20 . 1 1 69 69 ALA C C 69 179.600 179.600 178.987 0.613 18818 11263 1 20 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.840 -0.440 18818 11264 1 20 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.306 -0.406 18818 11265 1 20 . 1 1 69 69 ALA H H 69 8.070 8.070 8.314 -0.244 18818 11266 1 20 . 1 1 70 70 ASN N N 70 115.400 115.400 116.021 -0.621 18818 11267 1 20 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.594 0.276 18818 11268 1 20 . 1 1 70 70 ASN C C 70 176.500 176.500 176.714 -0.214 18818 11269 1 20 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.152 -0.852 18818 11270 1 20 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.402 -0.702 18818 11271 1 20 . 1 1 70 70 ASN H H 70 7.880 7.880 8.000 -0.120 18818 11272 1 20 . 1 1 71 71 LEU N N 71 120.600 120.600 115.945 4.655 18818 11273 1 20 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.646 -0.316 18818 11274 1 20 . 1 1 71 71 LEU C C 71 178.300 178.300 176.805 1.495 18818 11275 1 20 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.520 1.780 18818 11276 1 20 . 1 1 71 71 LEU CB C 71 42.300 42.300 43.023 -0.723 18818 11277 1 20 . 1 1 71 71 LEU H H 71 7.820 7.820 7.471 0.349 18818 11278 1 20 . 1 1 72 72 GLY N N 72 106.800 106.800 107.862 -1.062 18818 11279 1 20 . 1 1 72 72 GLY C C 72 174.400 174.400 175.300 -0.900 18818 11280 1 20 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.531 1.169 18818 11281 1 20 . 1 1 72 72 GLY H H 72 8.240 8.240 7.748 0.492 18818 11282 1 20 . 1 1 73 73 SER N N 73 115.600 115.600 119.205 -3.605 18818 11283 1 20 . 1 1 73 73 SER HA H 73 4.570 4.570 4.327 0.243 18818 11284 1 20 . 1 1 73 73 SER C C 73 175.000 175.000 174.943 0.057 18818 11285 1 20 . 1 1 73 73 SER CA C 73 58.900 58.900 60.129 -1.229 18818 11286 1 20 . 1 1 73 73 SER CB C 73 63.600 63.600 63.547 0.053 18818 11287 1 20 . 1 1 73 73 SER H H 73 8.220 8.220 8.637 -0.417 18818 11288 1 20 . 1 1 74 74 CYS N N 74 119.300 119.300 118.108 1.192 18818 11289 1 20 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.616 0.034 18818 11290 1 20 . 1 1 74 74 CYS C C 74 174.500 174.500 173.531 0.969 18818 11291 1 20 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.504 1.196 18818 11292 1 20 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.008 -0.308 18818 11293 1 20 . 1 1 74 74 CYS H H 74 8.260 8.260 7.762 0.498 18818 11294 1 20 . 1 1 75 75 ASN N N 75 120.000 120.000 121.104 -1.104 18818 11295 1 20 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.513 0.327 18818 11296 1 20 . 1 1 75 75 ASN C C 75 174.700 174.700 176.312 -1.612 18818 11297 1 20 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.110 -0.310 18818 11298 1 20 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.440 -0.540 18818 11299 1 20 . 1 1 75 75 ASN H H 75 8.430 8.430 7.781 0.649 18818 11300 1 20 . 1 1 76 76 ASP N N 76 119.200 119.200 126.024 -6.824 18818 11301 1 20 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.391 0.279 18818 11302 1 20 . 1 1 76 76 ASP C C 76 175.500 175.500 177.319 -1.819 18818 11303 1 20 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.934 -2.534 18818 11304 1 20 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.902 -0.302 18818 11305 1 20 . 1 1 76 76 ASP H H 76 8.300 8.300 8.833 -0.533 18818 11306 1 20 . 1 1 77 77 SER N N 77 112.800 112.800 113.891 -1.091 18818 11307 1 20 . 1 1 77 77 SER HA H 77 4.260 4.260 4.365 -0.105 18818 11308 1 20 . 1 1 77 77 SER C C 77 173.300 173.300 173.982 -0.682 18818 11309 1 20 . 1 1 77 77 SER CA C 77 59.000 59.000 58.795 0.205 18818 11310 1 20 . 1 1 77 77 SER CB C 77 63.100 63.100 63.747 -0.647 18818 11311 1 20 . 1 1 77 77 SER H H 77 8.220 8.220 8.326 -0.106 18818 11312 1 20 . 1 1 78 78 LYS N N 78 120.600 120.600 117.950 2.650 18818 11313 1 20 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.031 0.529 18818 11314 1 20 . 1 1 78 78 LYS C C 78 175.300 175.300 175.183 0.117 18818 11315 1 20 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.220 -1.620 18818 11316 1 20 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.558 0.742 18818 11317 1 20 . 1 1 78 78 LYS H H 78 7.930 7.930 7.453 0.477 18818 11318 1 20 . 1 1 79 79 LEU N N 79 123.700 123.700 116.271 7.429 18818 11319 1 20 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.808 -0.028 18818 11320 1 20 . 1 1 79 79 LEU C C 79 176.100 176.100 176.874 -0.774 18818 11321 1 20 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.304 0.895 18818 11322 1 20 . 1 1 79 79 LEU CB C 79 42.000 42.000 44.442 -2.442 18818 11323 1 20 . 1 1 79 79 LEU H H 79 9.020 9.020 8.285 0.735 18818 11324 1 20 . 1 1 80 80 GLU N N 80 121.200 121.200 117.996 3.204 18818 11325 1 20 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.051 -0.151 18818 11326 1 20 . 1 1 80 80 GLU C C 80 177.100 177.100 177.332 -0.232 18818 11327 1 20 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.431 0.769 18818 11328 1 20 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.413 -0.813 18818 11329 1 20 . 1 1 80 80 GLU H H 80 8.630 8.630 8.480 0.150 18818 11330 1 20 . 1 1 81 81 PHE N N 81 123.500 123.500 122.546 0.954 18818 11331 1 20 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.920 0.610 18818 11332 1 20 . 1 1 81 81 PHE C C 81 177.000 177.000 176.415 0.585 18818 11333 1 20 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.861 -0.561 18818 11334 1 20 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.300 -0.800 18818 11335 1 20 . 1 1 81 81 PHE H H 81 9.360 9.360 8.762 0.598 18818 11336 1 20 . 1 1 82 82 ARG N N 82 116.500 116.500 117.082 -0.582 18818 11337 1 20 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.095 -0.055 18818 11338 1 20 . 1 1 82 82 ARG C C 82 178.000 178.000 178.157 -0.157 18818 11339 1 20 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.899 0.301 18818 11340 1 20 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.484 -0.284 18818 11341 1 20 . 1 1 82 82 ARG H H 82 8.940 8.940 8.636 0.304 18818 11342 1 20 . 1 1 83 83 SER N N 83 115.700 115.700 116.713 -1.013 18818 11343 1 20 . 1 1 83 83 SER HA H 83 4.510 4.510 4.411 0.099 18818 11344 1 20 . 1 1 83 83 SER C C 83 175.800 175.800 176.118 -0.318 18818 11345 1 20 . 1 1 83 83 SER CA C 83 61.700 61.700 61.700 0.000 18818 11346 1 20 . 1 1 83 83 SER CB C 83 62.700 62.700 63.365 -0.665 18818 11347 1 20 . 1 1 83 83 SER H H 83 7.610 7.610 8.066 -0.456 18818 11348 1 20 . 1 1 84 84 PHE N N 84 122.200 122.200 123.479 -1.279 18818 11349 1 20 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.179 0.041 18818 11350 1 20 . 1 1 84 84 PHE C C 84 175.000 175.000 176.454 -1.454 18818 11351 1 20 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.468 -1.468 18818 11352 1 20 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.173 0.027 18818 11353 1 20 . 1 1 84 84 PHE H H 84 7.490 7.490 7.420 0.070 18818 11354 1 20 . 1 1 85 85 TRP N N 85 120.700 120.700 119.755 0.945 18818 11355 1 20 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.105 -0.345 18818 11356 1 20 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.618 -0.818 18818 11357 1 20 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.535 -0.335 18818 11358 1 20 . 1 1 85 85 TRP H H 85 8.770 8.770 7.700 1.070 18818 11359 1 20 . 1 1 86 86 GLU N N 86 119.100 119.100 118.696 0.404 18818 11360 1 20 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.889 0.191 18818 11361 1 20 . 1 1 86 86 GLU C C 86 179.100 179.100 178.871 0.229 18818 11362 1 20 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.156 0.144 18818 11363 1 20 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.315 0.185 18818 11364 1 20 . 1 1 86 86 GLU H H 86 8.150 8.150 7.926 0.224 18818 11365 1 20 . 1 1 87 87 LEU N N 87 120.800 120.800 119.741 1.059 18818 11366 1 20 . 1 1 87 87 LEU HA H 87 4.050 4.050 3.970 0.080 18818 11367 1 20 . 1 1 87 87 LEU C C 87 178.900 178.900 178.410 0.490 18818 11368 1 20 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.478 0.422 18818 11369 1 20 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.988 -0.688 18818 11370 1 20 . 1 1 87 87 LEU H H 87 7.600 7.600 7.292 0.308 18818 11371 1 20 . 1 1 88 88 ILE N N 88 115.200 115.200 120.037 -4.837 18818 11372 1 20 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.359 0.221 18818 11373 1 20 . 1 1 88 88 ILE C C 88 177.300 177.300 177.639 -0.339 18818 11374 1 20 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.337 -2.337 18818 11375 1 20 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.872 -1.272 18818 11376 1 20 . 1 1 88 88 ILE H H 88 7.960 7.960 7.251 0.709 18818 11377 1 20 . 1 1 89 89 GLY N N 89 108.100 108.100 107.482 0.618 18818 11378 1 20 . 1 1 89 89 GLY C C 89 175.700 175.700 174.791 0.909 18818 11379 1 20 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.750 -1.350 18818 11380 1 20 . 1 1 89 89 GLY H H 89 7.620 7.620 7.757 -0.137 18818 11381 1 20 . 1 1 90 90 GLU N N 90 120.000 120.000 121.442 -1.442 18818 11382 1 20 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.217 -0.257 18818 11383 1 20 . 1 1 90 90 GLU C C 90 179.100 179.100 178.470 0.630 18818 11384 1 20 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.078 1.122 18818 11385 1 20 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.465 -0.665 18818 11386 1 20 . 1 1 90 90 GLU H H 90 7.410 7.410 7.240 0.170 18818 11387 1 20 . 1 1 91 91 ALA N N 91 122.400 122.400 123.501 -1.101 18818 11388 1 20 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.951 0.069 18818 11389 1 20 . 1 1 91 91 ALA C C 91 178.700 178.700 179.360 -0.660 18818 11390 1 20 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.885 -0.885 18818 11391 1 20 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.157 -0.157 18818 11392 1 20 . 1 1 91 91 ALA H H 91 7.610 7.610 8.293 -0.683 18818 11393 1 20 . 1 1 92 92 ALA N N 92 118.000 118.000 118.213 -0.213 18818 11394 1 20 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.073 -0.403 18818 11395 1 20 . 1 1 92 92 ALA C C 92 177.900 177.900 178.385 -0.485 18818 11396 1 20 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.717 0.183 18818 11397 1 20 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.594 -0.694 18818 11398 1 20 . 1 1 92 92 ALA H H 92 7.740 7.740 7.926 -0.186 18818 11399 1 20 . 1 1 93 93 LYS N N 93 114.600 114.600 117.990 -3.390 18818 11400 1 20 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.312 -0.542 18818 11401 1 20 . 1 1 93 93 LYS C C 93 177.000 177.000 177.152 -0.152 18818 11402 1 20 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.688 0.812 18818 11403 1 20 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.586 -0.786 18818 11404 1 20 . 1 1 93 93 LYS H H 93 7.200 7.200 7.655 -0.455 18818 11405 1 20 . 1 1 94 94 SER N N 94 113.000 113.000 113.587 -0.587 18818 11406 1 20 . 1 1 94 94 SER HA H 94 4.450 4.450 4.501 -0.051 18818 11407 1 20 . 1 1 94 94 SER C C 94 174.500 174.500 174.194 0.306 18818 11408 1 20 . 1 1 94 94 SER CA C 94 58.800 58.800 59.041 -0.241 18818 11409 1 20 . 1 1 94 94 SER CB C 94 63.900 63.900 64.762 -0.862 18818 11410 1 20 . 1 1 94 94 SER H H 94 7.530 7.530 7.867 -0.337 18818 11411 1 20 . 1 1 95 95 VAL N N 95 122.100 122.100 120.432 1.668 18818 11412 1 20 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.175 -0.235 18818 11413 1 20 . 1 1 95 95 VAL C C 95 175.400 175.400 173.964 1.436 18818 11414 1 20 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.663 0.538 18818 11415 1 20 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.816 -1.316 18818 11416 1 20 . 1 1 95 95 VAL H H 95 7.440 7.440 7.645 -0.205 18818 11417 1 20 . 1 1 96 96 LYS N N 96 126.300 126.300 125.134 1.166 18818 11418 1 20 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.660 -0.260 18818 11419 1 20 . 1 1 96 96 LYS C C 96 176.000 176.000 176.072 -0.072 18818 11420 1 20 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.784 0.716 18818 11421 1 20 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.461 -1.961 18818 11422 1 20 . 1 1 96 96 LYS H H 96 8.470 8.470 8.135 0.335 18818 11423 1 20 . 1 1 97 97 LEU N N 97 123.400 123.400 123.178 0.222 18818 11424 1 20 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.259 0.151 18818 11425 1 20 . 1 1 97 97 LEU C C 97 176.700 176.700 177.275 -0.575 18818 11426 1 20 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.068 -0.668 18818 11427 1 20 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.629 -0.329 18818 11428 1 20 . 1 1 97 97 LEU H H 97 8.140 8.140 8.194 -0.054 18818 11429 1 20 . 1 1 98 98 GLU N N 98 121.400 121.400 119.272 2.128 18818 11430 1 20 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.167 0.173 18818 11431 1 20 . 1 1 98 98 GLU C C 98 175.900 175.900 176.475 -0.575 18818 11432 1 20 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.884 -0.684 18818 11433 1 20 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.707 0.393 18818 11434 1 20 . 1 1 98 98 GLU H H 98 8.320 8.320 8.640 -0.320 18818 11435 1 20 . 1 1 99 99 ARG N N 99 122.800 122.800 121.953 0.847 18818 11436 1 20 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.408 0.402 18818 11437 1 20 . 1 1 99 99 ARG C C 99 173.900 173.900 174.929 -1.029 18818 11438 1 20 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.928 -1.329 18818 11439 1 20 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.687 0.213 18818 11440 1 20 . 1 1 99 99 ARG H H 99 8.280 8.280 7.752 0.528 18818 11441 1 20 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.413 0.107 18818 11442 1 20 . 1 1 100 100 PRO C C 100 176.700 176.700 176.101 0.599 18818 11443 1 20 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.613 0.187 18818 11444 1 20 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.262 -0.562 18818 11445 1 20 . 1 1 101 101 VAL N N 101 120.500 120.500 121.201 -0.701 18818 11446 1 20 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.091 0.039 18818 11447 1 20 . 1 1 101 101 VAL C C 101 176.000 176.000 176.580 -0.580 18818 11448 1 20 . 1 1 101 101 VAL CA C 101 62.100 62.100 63.147 -1.047 18818 11449 1 20 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.202 -0.002 18818 11450 1 20 . 1 1 101 101 VAL H H 101 8.230 8.230 8.276 -0.046 18818 11451 1 20 . 1 1 102 102 ARG N N 102 124.600 124.600 125.692 -1.092 18818 11452 1 20 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.580 -0.160 18818 11453 1 20 . 1 1 102 102 ARG C C 102 176.400 176.400 176.357 0.043 18818 11454 1 20 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.793 0.107 18818 11455 1 20 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.242 -0.542 18818 11456 1 20 . 1 1 102 102 ARG H H 102 8.390 8.390 8.848 -0.458 18818 11457 1 20 . 1 1 103 103 GLY N N 103 110.400 110.400 108.465 1.935 18818 11458 1 20 . 1 1 103 103 GLY C C 103 172.900 172.900 172.332 0.568 18818 11459 1 20 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.958 0.042 18818 11460 1 20 . 1 1 103 103 GLY H H 103 8.400 8.400 7.788 0.612 18818 11461 1 21 . 1 1 5 5 ARG N N 5 124.100 124.100 125.930 -1.830 18818 11462 1 21 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.310 -0.260 18818 11463 1 21 . 1 1 5 5 ARG C C 5 173.800 173.800 174.731 -0.931 18818 11464 1 21 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.727 -0.727 18818 11465 1 21 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.566 0.134 18818 11466 1 21 . 1 1 5 5 ARG H H 5 8.570 8.570 8.520 0.050 18818 11467 1 21 . 1 1 6 6 SER N N 6 117.500 117.500 117.781 -0.281 18818 11468 1 21 . 1 1 6 6 SER HA H 6 4.510 4.510 4.571 -0.061 18818 11469 1 21 . 1 1 6 6 SER C C 6 174.100 174.100 173.821 0.279 18818 11470 1 21 . 1 1 6 6 SER CA C 6 58.000 58.000 57.479 0.521 18818 11471 1 21 . 1 1 6 6 SER CB C 6 63.700 63.700 64.754 -1.054 18818 11472 1 21 . 1 1 6 6 SER H H 6 8.370 8.370 8.361 0.009 18818 11473 1 21 . 1 1 7 7 ALA N N 7 125.900 125.900 122.858 3.042 18818 11474 1 21 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.935 -0.535 18818 11475 1 21 . 1 1 7 7 ALA C C 7 177.200 177.200 177.668 -0.468 18818 11476 1 21 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.468 1.132 18818 11477 1 21 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.563 -0.563 18818 11478 1 21 . 1 1 7 7 ALA H H 7 8.410 8.410 8.544 -0.134 18818 11479 1 21 . 1 1 8 8 ASN N N 8 117.400 117.400 119.032 -1.632 18818 11480 1 21 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.429 0.341 18818 11481 1 21 . 1 1 8 8 ASN C C 8 174.900 174.900 176.735 -1.835 18818 11482 1 21 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.378 -3.478 18818 11483 1 21 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.514 0.285 18818 11484 1 21 . 1 1 8 8 ASN H H 8 8.360 8.360 7.907 0.453 18818 11485 1 21 . 1 1 9 9 ALA N N 9 124.400 124.400 119.983 4.417 18818 11486 1 21 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.317 0.033 18818 11487 1 21 . 1 1 9 9 ALA C C 9 177.800 177.800 178.455 -0.655 18818 11488 1 21 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.891 -1.191 18818 11489 1 21 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.573 0.327 18818 11490 1 21 . 1 1 9 9 ALA H H 9 8.270 8.270 8.466 -0.196 18818 11491 1 21 . 1 1 10 10 GLU N N 10 119.300 119.300 118.367 0.933 18818 11492 1 21 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.116 0.194 18818 11493 1 21 . 1 1 10 10 GLU C C 10 176.400 176.400 178.472 -2.072 18818 11494 1 21 . 1 1 10 10 GLU CA C 10 56.900 56.900 59.194 -2.294 18818 11495 1 21 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.882 -0.282 18818 11496 1 21 . 1 1 10 10 GLU H H 10 8.470 8.470 7.740 0.730 18818 11497 1 21 . 1 1 11 11 ASP N N 11 120.600 120.600 119.175 1.425 18818 11498 1 21 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.505 0.105 18818 11499 1 21 . 1 1 11 11 ASP C C 11 176.100 176.100 175.907 0.193 18818 11500 1 21 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.435 -0.135 18818 11501 1 21 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.809 -1.009 18818 11502 1 21 . 1 1 11 11 ASP H H 11 8.200 8.200 7.582 0.618 18818 11503 1 21 . 1 1 12 12 ALA N N 12 123.800 123.800 118.978 4.822 18818 11504 1 21 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.923 0.167 18818 11505 1 21 . 1 1 12 12 ALA C C 12 177.800 177.800 177.148 0.652 18818 11506 1 21 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.748 -0.248 18818 11507 1 21 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.927 0.873 18818 11508 1 21 . 1 1 12 12 ALA H H 12 8.070 8.070 7.356 0.714 18818 11509 1 21 . 1 1 13 13 GLN N N 13 118.500 118.500 119.355 -0.855 18818 11510 1 21 . 1 1 13 13 GLN HA H 13 4.270 4.270 3.921 0.349 18818 11511 1 21 . 1 1 13 13 GLN C C 13 175.700 175.700 176.356 -0.656 18818 11512 1 21 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.904 -1.004 18818 11513 1 21 . 1 1 13 13 GLN CB C 13 29.100 29.100 28.797 0.303 18818 11514 1 21 . 1 1 13 13 GLN H H 13 8.230 8.230 7.920 0.310 18818 11515 1 21 . 1 1 14 14 GLU N N 14 120.600 120.600 115.682 4.918 18818 11516 1 21 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.220 0.080 18818 11517 1 21 . 1 1 14 14 GLU C C 14 175.800 175.800 175.076 0.724 18818 11518 1 21 . 1 1 14 14 GLU CA C 14 55.800 55.800 55.679 0.121 18818 11519 1 21 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.420 -0.520 18818 11520 1 21 . 1 1 14 14 GLU H H 14 8.100 8.100 7.003 1.097 18818 11521 1 21 . 1 1 15 15 PHE N N 15 121.100 121.100 118.295 2.805 18818 11522 1 21 . 1 1 15 15 PHE HA H 15 4.880 4.880 5.132 -0.252 18818 11523 1 21 . 1 1 15 15 PHE C C 15 176.900 176.900 176.482 0.418 18818 11524 1 21 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.615 -0.315 18818 11525 1 21 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.884 -0.584 18818 11526 1 21 . 1 1 15 15 PHE H H 15 8.030 8.030 7.059 0.971 18818 11527 1 21 . 1 1 16 16 SER N N 16 119.400 119.400 117.356 2.044 18818 11528 1 21 . 1 1 16 16 SER HA H 16 4.850 4.850 4.582 0.268 18818 11529 1 21 . 1 1 16 16 SER C C 16 174.800 174.800 175.848 -1.048 18818 11530 1 21 . 1 1 16 16 SER CA C 16 57.000 57.000 57.096 -0.096 18818 11531 1 21 . 1 1 16 16 SER CB C 16 65.600 65.600 64.873 0.727 18818 11532 1 21 . 1 1 16 16 SER H H 16 9.530 9.530 8.741 0.789 18818 11533 1 21 . 1 1 17 17 ASP N N 17 121.300 121.300 122.395 -1.095 18818 11534 1 21 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.425 0.125 18818 11535 1 21 . 1 1 17 17 ASP C C 17 179.700 179.700 177.851 1.849 18818 11536 1 21 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.532 0.468 18818 11537 1 21 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.525 -1.025 18818 11538 1 21 . 1 1 17 17 ASP H H 17 9.270 9.270 8.866 0.404 18818 11539 1 21 . 1 1 18 18 VAL N N 18 120.600 120.600 118.840 1.760 18818 11540 1 21 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.921 -0.241 18818 11541 1 21 . 1 1 18 18 VAL C C 18 176.900 176.900 177.223 -0.323 18818 11542 1 21 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.220 1.280 18818 11543 1 21 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.997 -0.097 18818 11544 1 21 . 1 1 18 18 VAL H H 18 8.230 8.230 8.081 0.149 18818 11545 1 21 . 1 1 19 19 GLU N N 19 121.000 121.000 119.456 1.544 18818 11546 1 21 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.082 -0.342 18818 11547 1 21 . 1 1 19 19 GLU C C 19 178.600 178.600 178.735 -0.135 18818 11548 1 21 . 1 1 19 19 GLU CA C 19 60.000 60.000 58.868 1.131 18818 11549 1 21 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.562 -0.862 18818 11550 1 21 . 1 1 19 19 GLU H H 19 8.180 8.180 7.796 0.384 18818 11551 1 21 . 1 1 20 20 ARG N N 20 118.100 118.100 118.640 -0.540 18818 11552 1 21 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.320 -0.020 18818 11553 1 21 . 1 1 20 20 ARG C C 20 178.700 178.700 178.242 0.458 18818 11554 1 21 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.088 0.012 18818 11555 1 21 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.967 -0.267 18818 11556 1 21 . 1 1 20 20 ARG H H 20 8.920 8.920 8.363 0.557 18818 11557 1 21 . 1 1 21 21 ALA N N 21 123.800 123.800 123.719 0.081 18818 11558 1 21 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.145 0.275 18818 11559 1 21 . 1 1 21 21 ALA C C 21 179.300 179.300 179.686 -0.386 18818 11560 1 21 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.939 0.261 18818 11561 1 21 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.340 -0.440 18818 11562 1 21 . 1 1 21 21 ALA H H 21 8.060 8.060 7.958 0.102 18818 11563 1 21 . 1 1 22 22 ILE N N 22 118.200 118.200 118.332 -0.132 18818 11564 1 21 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.756 -0.036 18818 11565 1 21 . 1 1 22 22 ILE C C 22 177.500 177.500 177.980 -0.480 18818 11566 1 21 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.801 0.199 18818 11567 1 21 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.785 -0.385 18818 11568 1 21 . 1 1 22 22 ILE H H 22 8.010 8.010 7.792 0.218 18818 11569 1 21 . 1 1 23 23 GLU N N 23 120.100 120.100 119.878 0.222 18818 11570 1 21 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.940 0.020 18818 11571 1 21 . 1 1 23 23 GLU C C 23 178.000 178.000 178.821 -0.821 18818 11572 1 21 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.832 0.468 18818 11573 1 21 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.388 0.112 18818 11574 1 21 . 1 1 23 23 GLU H H 23 8.450 8.450 7.778 0.672 18818 11575 1 21 . 1 1 24 24 THR N N 24 117.300 117.300 115.304 1.996 18818 11576 1 21 . 1 1 24 24 THR HA H 24 4.010 4.010 4.110 -0.100 18818 11577 1 21 . 1 1 24 24 THR C C 24 177.000 177.000 176.574 0.426 18818 11578 1 21 . 1 1 24 24 THR CA C 24 67.100 67.100 66.789 0.311 18818 11579 1 21 . 1 1 24 24 THR CB C 24 68.200 68.200 68.586 -0.386 18818 11580 1 21 . 1 1 24 24 THR H H 24 8.720 8.720 8.096 0.624 18818 11581 1 21 . 1 1 25 25 LEU N N 25 123.400 123.400 121.084 2.316 18818 11582 1 21 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.236 0.044 18818 11583 1 21 . 1 1 25 25 LEU C C 25 178.200 178.200 178.502 -0.302 18818 11584 1 21 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.424 1.876 18818 11585 1 21 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.587 0.113 18818 11586 1 21 . 1 1 25 25 LEU H H 25 8.150 8.150 7.497 0.653 18818 11587 1 21 . 1 1 26 26 ILE N N 26 119.500 119.500 119.743 -0.243 18818 11588 1 21 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.548 0.452 18818 11589 1 21 . 1 1 26 26 ILE C C 26 177.900 177.900 178.650 -0.750 18818 11590 1 21 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.183 -0.084 18818 11591 1 21 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.962 0.338 18818 11592 1 21 . 1 1 26 26 ILE H H 26 8.510 8.510 8.204 0.306 18818 11593 1 21 . 1 1 27 27 LYS N N 27 120.500 120.500 118.782 1.718 18818 11594 1 21 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.666 0.484 18818 11595 1 21 . 1 1 27 27 LYS C C 27 179.600 179.600 178.547 1.053 18818 11596 1 21 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.045 1.055 18818 11597 1 21 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.496 0.504 18818 11598 1 21 . 1 1 27 27 LYS H H 27 9.000 9.000 8.540 0.460 18818 11599 1 21 . 1 1 28 28 ASN N N 28 117.300 117.300 117.056 0.244 18818 11600 1 21 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.683 -0.123 18818 11601 1 21 . 1 1 28 28 ASN C C 28 176.000 176.000 177.107 -1.107 18818 11602 1 21 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.592 2.108 18818 11603 1 21 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.307 1.993 18818 11604 1 21 . 1 1 28 28 ASN H H 28 7.990 7.990 7.418 0.572 18818 11605 1 21 . 1 1 29 29 PHE N N 29 119.100 119.100 121.243 -2.143 18818 11606 1 21 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.828 0.082 18818 11607 1 21 . 1 1 29 29 PHE C C 29 176.200 176.200 176.951 -0.751 18818 11608 1 21 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.643 -0.443 18818 11609 1 21 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.807 -0.207 18818 11610 1 21 . 1 1 29 29 PHE H H 29 7.990 7.990 7.958 0.032 18818 11611 1 21 . 1 1 30 30 HIS N N 30 114.700 114.700 116.803 -2.103 18818 11612 1 21 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.322 -0.002 18818 11613 1 21 . 1 1 30 30 HIS C C 30 177.400 177.400 176.907 0.493 18818 11614 1 21 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.745 -0.245 18818 11615 1 21 . 1 1 30 30 HIS CB C 30 29.600 29.600 30.065 -0.465 18818 11616 1 21 . 1 1 30 30 HIS H H 30 8.180 8.180 7.730 0.450 18818 11617 1 21 . 1 1 31 31 GLN N N 31 118.500 118.500 114.593 3.907 18818 11618 1 21 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.245 -0.165 18818 11619 1 21 . 1 1 31 31 GLN C C 31 176.600 176.600 176.292 0.308 18818 11620 1 21 . 1 1 31 31 GLN CA C 31 57.800 57.800 56.962 0.839 18818 11621 1 21 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.611 -0.211 18818 11622 1 21 . 1 1 31 31 GLN H H 31 8.280 8.280 8.356 -0.076 18818 11623 1 21 . 1 1 32 32 TYR N N 32 115.700 115.700 117.005 -1.305 18818 11624 1 21 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.480 -0.270 18818 11625 1 21 . 1 1 32 32 TYR C C 32 174.800 174.800 175.479 -0.679 18818 11626 1 21 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.680 1.020 18818 11627 1 21 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.535 -1.835 18818 11628 1 21 . 1 1 32 32 TYR H H 32 7.410 7.410 7.602 -0.192 18818 11629 1 21 . 1 1 33 33 SER N N 33 114.000 114.000 116.830 -2.830 18818 11630 1 21 . 1 1 33 33 SER HA H 33 4.530 4.530 4.658 -0.128 18818 11631 1 21 . 1 1 33 33 SER C C 33 175.000 175.000 173.975 1.025 18818 11632 1 21 . 1 1 33 33 SER CA C 33 57.200 57.200 57.642 -0.441 18818 11633 1 21 . 1 1 33 33 SER CB C 33 63.200 63.200 61.679 1.521 18818 11634 1 21 . 1 1 33 33 SER H H 33 7.260 7.260 7.735 -0.475 18818 11635 1 21 . 1 1 34 34 VAL N N 34 126.600 126.600 127.106 -0.506 18818 11636 1 21 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.077 -0.067 18818 11637 1 21 . 1 1 34 34 VAL C C 34 177.800 177.800 176.499 1.301 18818 11638 1 21 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.212 1.188 18818 11639 1 21 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.122 -0.022 18818 11640 1 21 . 1 1 34 34 VAL H H 34 8.490 8.490 8.597 -0.107 18818 11641 1 21 . 1 1 35 35 GLU N N 35 122.100 122.100 118.378 3.722 18818 11642 1 21 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.390 -0.140 18818 11643 1 21 . 1 1 35 35 GLU C C 35 177.800 177.800 177.937 -0.137 18818 11644 1 21 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.983 0.517 18818 11645 1 21 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.352 -0.552 18818 11646 1 21 . 1 1 35 35 GLU H H 35 8.980 8.980 8.192 0.788 18818 11647 1 21 . 1 1 36 36 GLY N N 36 108.500 108.500 107.581 0.919 18818 11648 1 21 . 1 1 36 36 GLY C C 36 175.000 175.000 174.875 0.125 18818 11649 1 21 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.342 -0.042 18818 11650 1 21 . 1 1 36 36 GLY H H 36 8.490 8.490 7.920 0.570 18818 11651 1 21 . 1 1 37 37 GLY N N 37 108.700 108.700 106.617 2.083 18818 11652 1 21 . 1 1 37 37 GLY C C 37 174.100 174.100 174.733 -0.633 18818 11653 1 21 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.582 0.218 18818 11654 1 21 . 1 1 37 37 GLY H H 37 8.140 8.140 8.081 0.059 18818 11655 1 21 . 1 1 38 38 LYS N N 38 118.000 118.000 115.040 2.960 18818 11656 1 21 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.905 0.565 18818 11657 1 21 . 1 1 38 38 LYS C C 38 176.000 176.000 176.906 -0.906 18818 11658 1 21 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.980 -1.880 18818 11659 1 21 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.390 1.310 18818 11660 1 21 . 1 1 38 38 LYS H H 38 8.050 8.050 8.104 -0.054 18818 11661 1 21 . 1 1 39 39 GLU N N 39 118.100 118.100 117.839 0.261 18818 11662 1 21 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.489 0.071 18818 11663 1 21 . 1 1 39 39 GLU C C 39 175.600 175.600 175.968 -0.368 18818 11664 1 21 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.416 -0.616 18818 11665 1 21 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.809 -1.609 18818 11666 1 21 . 1 1 39 39 GLU H H 39 8.630 8.630 8.216 0.414 18818 11667 1 21 . 1 1 40 40 THR N N 40 108.100 108.100 110.014 -1.914 18818 11668 1 21 . 1 1 40 40 THR HA H 40 5.160 5.160 5.511 -0.351 18818 11669 1 21 . 1 1 40 40 THR C C 40 173.400 173.400 172.527 0.873 18818 11670 1 21 . 1 1 40 40 THR CA C 40 59.300 59.300 60.034 -0.734 18818 11671 1 21 . 1 1 40 40 THR CB C 40 72.100 72.100 72.487 -0.387 18818 11672 1 21 . 1 1 40 40 THR H H 40 7.490 7.490 8.201 -0.711 18818 11673 1 21 . 1 1 41 41 LEU N N 41 120.700 120.700 122.231 -1.531 18818 11674 1 21 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.661 0.379 18818 11675 1 21 . 1 1 41 41 LEU C C 41 177.000 177.000 175.368 1.632 18818 11676 1 21 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.749 -0.449 18818 11677 1 21 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.801 -0.501 18818 11678 1 21 . 1 1 41 41 LEU H H 41 8.660 8.660 8.771 -0.111 18818 11679 1 21 . 1 1 42 42 THR N N 42 113.500 113.500 116.475 -2.975 18818 11680 1 21 . 1 1 42 42 THR HA H 42 5.000 5.000 4.945 0.055 18818 11681 1 21 . 1 1 42 42 THR C C 42 174.100 174.100 173.690 0.410 18818 11682 1 21 . 1 1 42 42 THR CA C 42 59.800 59.800 58.711 1.089 18818 11683 1 21 . 1 1 42 42 THR CB C 42 68.100 68.100 69.399 -1.299 18818 11684 1 21 . 1 1 42 42 THR H H 42 9.130 9.130 8.875 0.255 18818 11685 1 21 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.137 0.013 18818 11686 1 21 . 1 1 43 43 PRO C C 43 178.600 178.600 178.905 -0.305 18818 11687 1 21 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.371 -0.171 18818 11688 1 21 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.515 0.185 18818 11689 1 21 . 1 1 44 44 SER N N 44 111.600 111.600 112.120 -0.520 18818 11690 1 21 . 1 1 44 44 SER HA H 44 4.170 4.170 4.298 -0.128 18818 11691 1 21 . 1 1 44 44 SER C C 44 176.200 176.200 176.294 -0.094 18818 11692 1 21 . 1 1 44 44 SER CA C 44 61.500 61.500 62.194 -0.694 18818 11693 1 21 . 1 1 44 44 SER CB C 44 62.200 62.200 62.816 -0.616 18818 11694 1 21 . 1 1 44 44 SER H H 44 8.090 8.090 8.713 -0.623 18818 11695 1 21 . 1 1 45 45 GLU N N 45 123.900 123.900 122.157 1.743 18818 11696 1 21 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.283 -0.023 18818 11697 1 21 . 1 1 45 45 GLU C C 45 179.000 179.000 178.228 0.772 18818 11698 1 21 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.081 1.019 18818 11699 1 21 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.531 0.169 18818 11700 1 21 . 1 1 45 45 GLU H H 45 7.700 7.700 7.794 -0.094 18818 11701 1 21 . 1 1 46 46 LEU N N 46 118.900 118.900 123.064 -4.164 18818 11702 1 21 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.912 0.168 18818 11703 1 21 . 1 1 46 46 LEU C C 46 177.600 177.600 178.701 -1.101 18818 11704 1 21 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.407 -1.107 18818 11705 1 21 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.949 -1.049 18818 11706 1 21 . 1 1 46 46 LEU H H 46 8.400 8.400 8.532 -0.132 18818 11707 1 21 . 1 1 47 47 ARG N N 47 119.300 119.300 118.302 0.998 18818 11708 1 21 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.818 -0.048 18818 11709 1 21 . 1 1 47 47 ARG C C 47 178.900 178.900 178.373 0.527 18818 11710 1 21 . 1 1 47 47 ARG CA C 47 60.000 60.000 60.280 -0.280 18818 11711 1 21 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.898 -0.898 18818 11712 1 21 . 1 1 47 47 ARG H H 47 8.260 8.260 8.251 0.009 18818 11713 1 21 . 1 1 48 48 ASP N N 48 122.300 122.300 119.678 2.622 18818 11714 1 21 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.480 -0.050 18818 11715 1 21 . 1 1 48 48 ASP C C 48 176.700 176.700 178.530 -1.830 18818 11716 1 21 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.636 -0.136 18818 11717 1 21 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.028 -1.628 18818 11718 1 21 . 1 1 48 48 ASP H H 48 8.160 8.160 7.910 0.250 18818 11719 1 21 . 1 1 49 49 LEU N N 49 122.600 122.600 118.499 4.101 18818 11720 1 21 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.829 -0.659 18818 11721 1 21 . 1 1 49 49 LEU C C 49 179.100 179.100 178.465 0.635 18818 11722 1 21 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.839 1.161 18818 11723 1 21 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.077 0.223 18818 11724 1 21 . 1 1 49 49 LEU H H 49 7.980 7.980 7.971 0.009 18818 11725 1 21 . 1 1 50 50 VAL N N 50 118.200 118.200 121.090 -2.890 18818 11726 1 21 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.537 0.013 18818 11727 1 21 . 1 1 50 50 VAL C C 50 178.800 178.800 178.154 0.646 18818 11728 1 21 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.972 -0.572 18818 11729 1 21 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.579 -0.079 18818 11730 1 21 . 1 1 50 50 VAL H H 50 8.390 8.390 7.952 0.438 18818 11731 1 21 . 1 1 51 51 THR N N 51 115.000 115.000 113.467 1.533 18818 11732 1 21 . 1 1 51 51 THR HA H 51 3.990 3.990 4.141 -0.151 18818 11733 1 21 . 1 1 51 51 THR C C 51 176.000 176.000 176.184 -0.184 18818 11734 1 21 . 1 1 51 51 THR CA C 51 65.800 65.800 65.118 0.682 18818 11735 1 21 . 1 1 51 51 THR CB C 51 68.900 68.900 68.854 0.046 18818 11736 1 21 . 1 1 51 51 THR H H 51 8.480 8.480 8.046 0.434 18818 11737 1 21 . 1 1 52 52 GLN N N 52 116.400 116.400 119.522 -3.122 18818 11738 1 21 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.263 -0.013 18818 11739 1 21 . 1 1 52 52 GLN C C 52 178.300 178.300 177.823 0.477 18818 11740 1 21 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.221 -0.421 18818 11741 1 21 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.158 -0.658 18818 11742 1 21 . 1 1 52 52 GLN H H 52 8.180 8.180 8.281 -0.101 18818 11743 1 21 . 1 1 53 53 GLN N N 53 112.100 112.100 115.869 -3.769 18818 11744 1 21 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.387 0.463 18818 11745 1 21 . 1 1 53 53 GLN C C 53 176.900 176.900 176.914 -0.014 18818 11746 1 21 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.878 -1.878 18818 11747 1 21 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.280 -1.880 18818 11748 1 21 . 1 1 53 53 GLN H H 53 8.490 8.490 7.963 0.527 18818 11749 1 21 . 1 1 54 54 LEU N N 54 119.800 119.800 119.371 0.429 18818 11750 1 21 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.848 0.402 18818 11751 1 21 . 1 1 54 54 LEU C C 54 176.900 176.900 174.918 1.982 18818 11752 1 21 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.459 1.442 18818 11753 1 21 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.485 0.615 18818 11754 1 21 . 1 1 54 54 LEU H H 54 7.920 7.920 7.750 0.170 18818 11755 1 21 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.251 0.219 18818 11756 1 21 . 1 1 55 55 PRO C C 55 178.300 178.300 177.115 1.185 18818 11757 1 21 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.672 0.628 18818 11758 1 21 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.779 -1.079 18818 11759 1 21 . 1 1 56 56 HIS N N 56 116.500 116.500 115.206 1.294 18818 11760 1 21 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.556 0.034 18818 11761 1 21 . 1 1 56 56 HIS C C 56 176.300 176.300 175.957 0.343 18818 11762 1 21 . 1 1 56 56 HIS CA C 56 57.800 57.800 56.439 1.361 18818 11763 1 21 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.515 -1.215 18818 11764 1 21 . 1 1 56 56 HIS H H 56 9.770 9.770 8.287 1.483 18818 11765 1 21 . 1 1 57 57 LEU N N 57 116.600 116.600 119.499 -2.899 18818 11766 1 21 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.423 -0.093 18818 11767 1 21 . 1 1 57 57 LEU C C 57 176.400 176.400 176.788 -0.388 18818 11768 1 21 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.409 -0.009 18818 11769 1 21 . 1 1 57 57 LEU CB C 57 42.500 42.500 43.407 -0.907 18818 11770 1 21 . 1 1 57 57 LEU H H 57 7.830 7.830 7.329 0.501 18818 11771 1 21 . 1 1 58 58 MET N N 58 118.000 118.000 119.053 -1.053 18818 11772 1 21 . 1 1 58 58 MET HA H 58 4.540 4.540 4.879 -0.339 18818 11773 1 21 . 1 1 58 58 MET C C 58 171.600 171.600 173.436 -1.836 18818 11774 1 21 . 1 1 58 58 MET CA C 58 53.500 53.500 50.807 2.693 18818 11775 1 21 . 1 1 58 58 MET CB C 58 32.700 32.700 32.588 0.112 18818 11776 1 21 . 1 1 58 58 MET H H 58 7.970 7.970 7.506 0.464 18818 11777 1 21 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.554 -0.104 18818 11778 1 21 . 1 1 59 59 PRO C C 59 177.400 177.400 176.653 0.747 18818 11779 1 21 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.347 0.753 18818 11780 1 21 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.525 -0.625 18818 11781 1 21 . 1 1 60 60 SER N N 60 114.900 114.900 118.188 -3.288 18818 11782 1 21 . 1 1 60 60 SER HA H 60 4.340 4.340 4.277 0.063 18818 11783 1 21 . 1 1 60 60 SER C C 60 174.700 174.700 175.933 -1.233 18818 11784 1 21 . 1 1 60 60 SER CA C 60 59.100 59.100 60.108 -1.008 18818 11785 1 21 . 1 1 60 60 SER CB C 60 63.200 63.200 62.930 0.270 18818 11786 1 21 . 1 1 60 60 SER H H 60 8.360 8.360 8.442 -0.082 18818 11787 1 21 . 1 1 61 61 ASN N N 61 120.800 120.800 125.935 -5.135 18818 11788 1 21 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.275 0.535 18818 11789 1 21 . 1 1 61 61 ASN C C 61 175.500 175.500 176.830 -1.330 18818 11790 1 21 . 1 1 61 61 ASN CA C 61 53.000 53.000 56.194 -3.194 18818 11791 1 21 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.737 0.163 18818 11792 1 21 . 1 1 61 61 ASN H H 61 7.990 7.990 9.137 -1.147 18818 11793 1 21 . 1 1 62 62 CYS N N 62 117.800 117.800 119.567 -1.767 18818 11794 1 21 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.121 0.469 18818 11795 1 21 . 1 1 62 62 CYS C C 62 175.300 175.300 176.986 -1.686 18818 11796 1 21 . 1 1 62 62 CYS CA C 62 59.200 59.200 63.351 -4.151 18818 11797 1 21 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.035 0.365 18818 11798 1 21 . 1 1 62 62 CYS H H 62 8.260 8.260 8.462 -0.202 18818 11799 1 21 . 1 1 63 63 GLY N N 63 111.300 111.300 106.862 4.438 18818 11800 1 21 . 1 1 63 63 GLY C C 63 175.600 175.600 174.880 0.720 18818 11801 1 21 . 1 1 63 63 GLY CA C 63 46.300 46.300 46.620 -0.320 18818 11802 1 21 . 1 1 63 63 GLY H H 63 8.520 8.520 8.143 0.377 18818 11803 1 21 . 1 1 64 64 LEU N N 64 122.400 122.400 120.741 1.659 18818 11804 1 21 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.404 -0.354 18818 11805 1 21 . 1 1 64 64 LEU C C 64 177.900 177.900 178.549 -0.649 18818 11806 1 21 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.483 1.117 18818 11807 1 21 . 1 1 64 64 LEU CB C 64 42.000 42.000 42.280 -0.280 18818 11808 1 21 . 1 1 64 64 LEU H H 64 7.910 7.910 7.505 0.405 18818 11809 1 21 . 1 1 65 65 GLU N N 65 117.900 117.900 119.903 -2.003 18818 11810 1 21 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.004 -0.094 18818 11811 1 21 . 1 1 65 65 GLU C C 65 179.100 179.100 178.369 0.731 18818 11812 1 21 . 1 1 65 65 GLU CA C 65 60.000 60.000 59.413 0.587 18818 11813 1 21 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.088 -0.688 18818 11814 1 21 . 1 1 65 65 GLU H H 65 8.660 8.660 8.687 -0.027 18818 11815 1 21 . 1 1 66 66 GLU N N 66 120.000 120.000 119.659 0.341 18818 11816 1 21 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.064 0.056 18818 11817 1 21 . 1 1 66 66 GLU C C 66 178.200 178.200 178.805 -0.605 18818 11818 1 21 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.948 0.152 18818 11819 1 21 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.155 -0.055 18818 11820 1 21 . 1 1 66 66 GLU H H 66 8.220 8.220 7.858 0.362 18818 11821 1 21 . 1 1 67 67 LYS N N 67 119.300 119.300 118.745 0.555 18818 11822 1 21 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.200 -0.060 18818 11823 1 21 . 1 1 67 67 LYS C C 67 179.400 179.400 178.870 0.530 18818 11824 1 21 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.589 1.311 18818 11825 1 21 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.146 -0.046 18818 11826 1 21 . 1 1 67 67 LYS H H 67 7.780 7.780 7.736 0.044 18818 11827 1 21 . 1 1 68 68 ILE N N 68 118.400 118.400 120.571 -2.171 18818 11828 1 21 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.703 0.017 18818 11829 1 21 . 1 1 68 68 ILE C C 68 177.800 177.800 177.722 0.078 18818 11830 1 21 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.718 -0.218 18818 11831 1 21 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.585 -0.285 18818 11832 1 21 . 1 1 68 68 ILE H H 68 8.230 8.230 7.401 0.829 18818 11833 1 21 . 1 1 69 69 ALA N N 69 122.900 122.900 120.903 1.997 18818 11834 1 21 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.014 0.206 18818 11835 1 21 . 1 1 69 69 ALA C C 69 179.600 179.600 178.277 1.323 18818 11836 1 21 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.801 -0.401 18818 11837 1 21 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.295 -0.395 18818 11838 1 21 . 1 1 69 69 ALA H H 69 8.070 8.070 8.268 -0.198 18818 11839 1 21 . 1 1 70 70 ASN N N 70 115.400 115.400 114.958 0.442 18818 11840 1 21 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.603 0.267 18818 11841 1 21 . 1 1 70 70 ASN C C 70 176.500 176.500 177.982 -1.482 18818 11842 1 21 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.286 -0.986 18818 11843 1 21 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.601 -0.901 18818 11844 1 21 . 1 1 70 70 ASN H H 70 7.880 7.880 7.563 0.317 18818 11845 1 21 . 1 1 71 71 LEU N N 71 120.600 120.600 117.888 2.712 18818 11846 1 21 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.362 -0.032 18818 11847 1 21 . 1 1 71 71 LEU C C 71 178.300 178.300 177.928 0.372 18818 11848 1 21 . 1 1 71 71 LEU CA C 71 56.300 56.300 56.811 -0.511 18818 11849 1 21 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.131 1.169 18818 11850 1 21 . 1 1 71 71 LEU H H 71 7.820 7.820 7.935 -0.115 18818 11851 1 21 . 1 1 72 72 GLY N N 72 106.800 106.800 104.463 2.337 18818 11852 1 21 . 1 1 72 72 GLY C C 72 174.400 174.400 176.260 -1.860 18818 11853 1 21 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.302 0.398 18818 11854 1 21 . 1 1 72 72 GLY H H 72 8.240 8.240 7.750 0.490 18818 11855 1 21 . 1 1 73 73 SER N N 73 115.600 115.600 115.564 0.036 18818 11856 1 21 . 1 1 73 73 SER HA H 73 4.570 4.570 4.346 0.224 18818 11857 1 21 . 1 1 73 73 SER C C 73 175.000 175.000 174.394 0.606 18818 11858 1 21 . 1 1 73 73 SER CA C 73 58.900 58.900 60.705 -1.805 18818 11859 1 21 . 1 1 73 73 SER CB C 73 63.600 63.600 63.040 0.560 18818 11860 1 21 . 1 1 73 73 SER H H 73 8.220 8.220 8.082 0.138 18818 11861 1 21 . 1 1 74 74 CYS N N 74 119.300 119.300 119.900 -0.600 18818 11862 1 21 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.633 0.017 18818 11863 1 21 . 1 1 74 74 CYS C C 74 174.500 174.500 173.085 1.415 18818 11864 1 21 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.438 0.262 18818 11865 1 21 . 1 1 74 74 CYS CB C 74 27.700 27.700 26.842 0.858 18818 11866 1 21 . 1 1 74 74 CYS H H 74 8.260 8.260 8.034 0.226 18818 11867 1 21 . 1 1 75 75 ASN N N 75 120.000 120.000 120.180 -0.180 18818 11868 1 21 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.919 -0.079 18818 11869 1 21 . 1 1 75 75 ASN C C 75 174.700 174.700 174.089 0.611 18818 11870 1 21 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.342 0.458 18818 11871 1 21 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.542 -1.642 18818 11872 1 21 . 1 1 75 75 ASN H H 75 8.430 8.430 7.987 0.443 18818 11873 1 21 . 1 1 76 76 ASP N N 76 119.200 119.200 120.618 -1.418 18818 11874 1 21 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.705 -0.035 18818 11875 1 21 . 1 1 76 76 ASP C C 76 175.500 175.500 176.486 -0.986 18818 11876 1 21 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.424 -0.024 18818 11877 1 21 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.732 -1.132 18818 11878 1 21 . 1 1 76 76 ASP H H 76 8.300 8.300 8.522 -0.222 18818 11879 1 21 . 1 1 77 77 SER N N 77 112.800 112.800 114.648 -1.848 18818 11880 1 21 . 1 1 77 77 SER HA H 77 4.260 4.260 4.464 -0.204 18818 11881 1 21 . 1 1 77 77 SER C C 77 173.300 173.300 174.281 -0.981 18818 11882 1 21 . 1 1 77 77 SER CA C 77 59.000 59.000 58.329 0.671 18818 11883 1 21 . 1 1 77 77 SER CB C 77 63.100 63.100 63.076 0.024 18818 11884 1 21 . 1 1 77 77 SER H H 77 8.220 8.220 8.025 0.195 18818 11885 1 21 . 1 1 78 78 LYS N N 78 120.600 120.600 116.739 3.861 18818 11886 1 21 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.941 0.619 18818 11887 1 21 . 1 1 78 78 LYS C C 78 175.300 175.300 175.979 -0.679 18818 11888 1 21 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.597 -1.997 18818 11889 1 21 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.724 1.576 18818 11890 1 21 . 1 1 78 78 LYS H H 78 7.930 7.930 7.708 0.222 18818 11891 1 21 . 1 1 79 79 LEU N N 79 123.700 123.700 123.905 -0.205 18818 11892 1 21 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.445 0.335 18818 11893 1 21 . 1 1 79 79 LEU C C 79 176.100 176.100 176.807 -0.707 18818 11894 1 21 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.743 -0.543 18818 11895 1 21 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.482 -0.482 18818 11896 1 21 . 1 1 79 79 LEU H H 79 9.020 9.020 8.181 0.839 18818 11897 1 21 . 1 1 80 80 GLU N N 80 121.200 121.200 127.658 -6.458 18818 11898 1 21 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.312 0.588 18818 11899 1 21 . 1 1 80 80 GLU C C 80 177.100 177.100 178.093 -0.993 18818 11900 1 21 . 1 1 80 80 GLU CA C 80 55.200 55.200 57.088 -1.888 18818 11901 1 21 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.742 0.858 18818 11902 1 21 . 1 1 80 80 GLU H H 80 8.630 8.630 8.735 -0.105 18818 11903 1 21 . 1 1 81 81 PHE N N 81 123.500 123.500 126.802 -3.302 18818 11904 1 21 . 1 1 81 81 PHE HA H 81 3.530 3.530 2.990 0.540 18818 11905 1 21 . 1 1 81 81 PHE C C 81 177.000 177.000 176.668 0.332 18818 11906 1 21 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.580 0.720 18818 11907 1 21 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.895 -0.395 18818 11908 1 21 . 1 1 81 81 PHE H H 81 9.360 9.360 8.730 0.630 18818 11909 1 21 . 1 1 82 82 ARG N N 82 116.500 116.500 118.164 -1.664 18818 11910 1 21 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.027 0.013 18818 11911 1 21 . 1 1 82 82 ARG C C 82 178.000 178.000 178.424 -0.424 18818 11912 1 21 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.060 0.140 18818 11913 1 21 . 1 1 82 82 ARG CB C 82 29.200 29.200 30.116 -0.916 18818 11914 1 21 . 1 1 82 82 ARG H H 82 8.940 8.940 8.595 0.345 18818 11915 1 21 . 1 1 83 83 SER N N 83 115.700 115.700 112.214 3.486 18818 11916 1 21 . 1 1 83 83 SER HA H 83 4.510 4.510 4.457 0.053 18818 11917 1 21 . 1 1 83 83 SER C C 83 175.800 175.800 176.027 -0.227 18818 11918 1 21 . 1 1 83 83 SER CA C 83 61.700 61.700 59.112 2.588 18818 11919 1 21 . 1 1 83 83 SER CB C 83 62.700 62.700 63.397 -0.697 18818 11920 1 21 . 1 1 83 83 SER H H 83 7.610 7.610 8.108 -0.498 18818 11921 1 21 . 1 1 84 84 PHE N N 84 122.200 122.200 123.277 -1.077 18818 11922 1 21 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.253 -0.033 18818 11923 1 21 . 1 1 84 84 PHE C C 84 175.000 175.000 176.569 -1.569 18818 11924 1 21 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.663 -1.663 18818 11925 1 21 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.193 0.007 18818 11926 1 21 . 1 1 84 84 PHE H H 84 7.490 7.490 7.775 -0.285 18818 11927 1 21 . 1 1 85 85 TRP N N 85 120.700 120.700 118.546 2.154 18818 11928 1 21 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.321 -0.561 18818 11929 1 21 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.369 -0.569 18818 11930 1 21 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.746 -0.546 18818 11931 1 21 . 1 1 85 85 TRP H H 85 8.770 8.770 7.969 0.801 18818 11932 1 21 . 1 1 86 86 GLU N N 86 119.100 119.100 116.565 2.535 18818 11933 1 21 . 1 1 86 86 GLU HA H 86 4.080 4.080 4.006 0.074 18818 11934 1 21 . 1 1 86 86 GLU C C 86 179.100 179.100 178.402 0.698 18818 11935 1 21 . 1 1 86 86 GLU CA C 86 59.300 59.300 58.928 0.371 18818 11936 1 21 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.166 0.334 18818 11937 1 21 . 1 1 86 86 GLU H H 86 8.150 8.150 7.906 0.244 18818 11938 1 21 . 1 1 87 87 LEU N N 87 120.800 120.800 119.784 1.016 18818 11939 1 21 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.139 -0.089 18818 11940 1 21 . 1 1 87 87 LEU C C 87 178.900 178.900 178.713 0.187 18818 11941 1 21 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.338 1.562 18818 11942 1 21 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.177 -0.877 18818 11943 1 21 . 1 1 87 87 LEU H H 87 7.600 7.600 7.359 0.241 18818 11944 1 21 . 1 1 88 88 ILE N N 88 115.200 115.200 119.565 -4.365 18818 11945 1 21 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.444 0.136 18818 11946 1 21 . 1 1 88 88 ILE C C 88 177.300 177.300 177.161 0.139 18818 11947 1 21 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.247 -1.247 18818 11948 1 21 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.442 -0.842 18818 11949 1 21 . 1 1 88 88 ILE H H 88 7.960 7.960 7.270 0.690 18818 11950 1 21 . 1 1 89 89 GLY N N 89 108.100 108.100 107.749 0.351 18818 11951 1 21 . 1 1 89 89 GLY C C 89 175.700 175.700 175.585 0.115 18818 11952 1 21 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.947 -1.547 18818 11953 1 21 . 1 1 89 89 GLY H H 89 7.620 7.620 7.519 0.101 18818 11954 1 21 . 1 1 90 90 GLU N N 90 120.000 120.000 120.763 -0.763 18818 11955 1 21 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.129 -0.169 18818 11956 1 21 . 1 1 90 90 GLU C C 90 179.100 179.100 178.601 0.499 18818 11957 1 21 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.087 0.113 18818 11958 1 21 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.472 -0.672 18818 11959 1 21 . 1 1 90 90 GLU H H 90 7.410 7.410 7.719 -0.309 18818 11960 1 21 . 1 1 91 91 ALA N N 91 122.400 122.400 122.951 -0.551 18818 11961 1 21 . 1 1 91 91 ALA HA H 91 4.020 4.020 4.089 -0.069 18818 11962 1 21 . 1 1 91 91 ALA C C 91 178.700 178.700 179.029 -0.329 18818 11963 1 21 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.654 -0.654 18818 11964 1 21 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.390 -0.390 18818 11965 1 21 . 1 1 91 91 ALA H H 91 7.610 7.610 7.573 0.037 18818 11966 1 21 . 1 1 92 92 ALA N N 92 118.000 118.000 119.488 -1.488 18818 11967 1 21 . 1 1 92 92 ALA HA H 92 3.670 3.670 3.942 -0.272 18818 11968 1 21 . 1 1 92 92 ALA C C 92 177.900 177.900 179.300 -1.400 18818 11969 1 21 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.681 -0.781 18818 11970 1 21 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.147 -0.247 18818 11971 1 21 . 1 1 92 92 ALA H H 92 7.740 7.740 8.093 -0.353 18818 11972 1 21 . 1 1 93 93 LYS N N 93 114.600 114.600 117.861 -3.261 18818 11973 1 21 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.050 -0.280 18818 11974 1 21 . 1 1 93 93 LYS C C 93 177.000 177.000 177.904 -0.904 18818 11975 1 21 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.349 0.151 18818 11976 1 21 . 1 1 93 93 LYS CB C 93 31.800 31.800 31.282 0.517 18818 11977 1 21 . 1 1 93 93 LYS H H 93 7.200 7.200 7.752 -0.552 18818 11978 1 21 . 1 1 94 94 SER N N 94 113.000 113.000 113.772 -0.772 18818 11979 1 21 . 1 1 94 94 SER HA H 94 4.450 4.450 4.300 0.150 18818 11980 1 21 . 1 1 94 94 SER C C 94 174.500 174.500 174.689 -0.189 18818 11981 1 21 . 1 1 94 94 SER CA C 94 58.800 58.800 60.278 -1.478 18818 11982 1 21 . 1 1 94 94 SER CB C 94 63.900 63.900 64.107 -0.207 18818 11983 1 21 . 1 1 94 94 SER H H 94 7.530 7.530 8.000 -0.470 18818 11984 1 21 . 1 1 95 95 VAL N N 95 122.100 122.100 119.929 2.171 18818 11985 1 21 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.211 -0.271 18818 11986 1 21 . 1 1 95 95 VAL C C 95 175.400 175.400 173.767 1.633 18818 11987 1 21 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.200 1.000 18818 11988 1 21 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.563 -1.063 18818 11989 1 21 . 1 1 95 95 VAL H H 95 7.440 7.440 7.689 -0.249 18818 11990 1 21 . 1 1 96 96 LYS N N 96 126.300 126.300 124.872 1.428 18818 11991 1 21 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.610 -0.210 18818 11992 1 21 . 1 1 96 96 LYS C C 96 176.000 176.000 175.802 0.198 18818 11993 1 21 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.584 0.916 18818 11994 1 21 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.831 -2.331 18818 11995 1 21 . 1 1 96 96 LYS H H 96 8.470 8.470 8.205 0.265 18818 11996 1 21 . 1 1 97 97 LEU N N 97 123.400 123.400 122.463 0.937 18818 11997 1 21 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.325 0.085 18818 11998 1 21 . 1 1 97 97 LEU C C 97 176.700 176.700 178.276 -1.576 18818 11999 1 21 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.298 -0.898 18818 12000 1 21 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.172 0.128 18818 12001 1 21 . 1 1 97 97 LEU H H 97 8.140 8.140 8.692 -0.552 18818 12002 1 21 . 1 1 98 98 GLU N N 98 121.400 121.400 124.598 -3.198 18818 12003 1 21 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.354 -0.014 18818 12004 1 21 . 1 1 98 98 GLU C C 98 175.900 175.900 175.621 0.279 18818 12005 1 21 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.980 -0.780 18818 12006 1 21 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.309 1.791 18818 12007 1 21 . 1 1 98 98 GLU H H 98 8.320 8.320 8.825 -0.505 18818 12008 1 21 . 1 1 99 99 ARG N N 99 122.800 122.800 121.001 1.799 18818 12009 1 21 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.719 0.091 18818 12010 1 21 . 1 1 99 99 ARG C C 99 173.900 173.900 173.630 0.270 18818 12011 1 21 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.221 0.379 18818 12012 1 21 . 1 1 99 99 ARG CB C 99 29.900 29.900 32.357 -2.457 18818 12013 1 21 . 1 1 99 99 ARG H H 99 8.280 8.280 7.732 0.548 18818 12014 1 21 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.472 0.048 18818 12015 1 21 . 1 1 100 100 PRO C C 100 176.700 176.700 177.126 -0.426 18818 12016 1 21 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.913 -0.113 18818 12017 1 21 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.228 -0.528 18818 12018 1 21 . 1 1 101 101 VAL N N 101 120.500 120.500 118.243 2.257 18818 12019 1 21 . 1 1 101 101 VAL HA H 101 4.130 4.130 3.792 0.338 18818 12020 1 21 . 1 1 101 101 VAL C C 101 176.000 176.000 176.787 -0.787 18818 12021 1 21 . 1 1 101 101 VAL CA C 101 62.100 62.100 63.290 -1.190 18818 12022 1 21 . 1 1 101 101 VAL CB C 101 32.200 32.200 30.396 1.804 18818 12023 1 21 . 1 1 101 101 VAL H H 101 8.230 8.230 8.560 -0.330 18818 12024 1 21 . 1 1 102 102 ARG N N 102 124.600 124.600 122.384 2.216 18818 12025 1 21 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.183 0.237 18818 12026 1 21 . 1 1 102 102 ARG C C 102 176.400 176.400 176.023 0.377 18818 12027 1 21 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.120 -0.220 18818 12028 1 21 . 1 1 102 102 ARG CB C 102 30.700 30.700 28.917 1.783 18818 12029 1 21 . 1 1 102 102 ARG H H 102 8.390 8.390 8.662 -0.272 18818 12030 1 21 . 1 1 103 103 GLY N N 103 110.400 110.400 107.982 2.418 18818 12031 1 21 . 1 1 103 103 GLY C C 103 172.900 172.900 173.069 -0.169 18818 12032 1 21 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.292 0.708 18818 12033 1 21 . 1 1 103 103 GLY H H 103 8.400 8.400 7.810 0.590 18818 12034 1 22 . 1 1 5 5 ARG N N 5 124.100 124.100 123.387 0.713 18818 12035 1 22 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.181 -0.131 18818 12036 1 22 . 1 1 5 5 ARG C C 5 173.800 173.800 176.944 -3.144 18818 12037 1 22 . 1 1 5 5 ARG CA C 5 56.000 56.000 57.491 -1.491 18818 12038 1 22 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.073 0.627 18818 12039 1 22 . 1 1 5 5 ARG H H 5 8.570 8.570 8.721 -0.151 18818 12040 1 22 . 1 1 6 6 SER N N 6 117.500 117.500 115.891 1.609 18818 12041 1 22 . 1 1 6 6 SER HA H 6 4.510 4.510 4.396 0.114 18818 12042 1 22 . 1 1 6 6 SER C C 6 174.100 174.100 174.280 -0.180 18818 12043 1 22 . 1 1 6 6 SER CA C 6 58.000 58.000 57.511 0.489 18818 12044 1 22 . 1 1 6 6 SER CB C 6 63.700 63.700 62.290 1.410 18818 12045 1 22 . 1 1 6 6 SER H H 6 8.370 8.370 8.085 0.285 18818 12046 1 22 . 1 1 7 7 ALA N N 7 125.900 125.900 124.413 1.487 18818 12047 1 22 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.344 0.056 18818 12048 1 22 . 1 1 7 7 ALA C C 7 177.200 177.200 176.319 0.881 18818 12049 1 22 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.339 0.261 18818 12050 1 22 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.680 -0.680 18818 12051 1 22 . 1 1 7 7 ALA H H 7 8.410 8.410 7.576 0.834 18818 12052 1 22 . 1 1 8 8 ASN N N 8 117.400 117.400 117.465 -0.065 18818 12053 1 22 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.701 0.069 18818 12054 1 22 . 1 1 8 8 ASN C C 8 174.900 174.900 174.633 0.267 18818 12055 1 22 . 1 1 8 8 ASN CA C 8 52.900 52.900 52.870 0.030 18818 12056 1 22 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.904 -2.104 18818 12057 1 22 . 1 1 8 8 ASN H H 8 8.360 8.360 8.064 0.296 18818 12058 1 22 . 1 1 9 9 ALA N N 9 124.400 124.400 120.044 4.356 18818 12059 1 22 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.675 0.675 18818 12060 1 22 . 1 1 9 9 ALA C C 9 177.800 177.800 177.583 0.217 18818 12061 1 22 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.173 -0.473 18818 12062 1 22 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.405 1.495 18818 12063 1 22 . 1 1 9 9 ALA H H 9 8.270 8.270 9.027 -0.757 18818 12064 1 22 . 1 1 10 10 GLU N N 10 119.300 119.300 117.178 2.122 18818 12065 1 22 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.067 0.243 18818 12066 1 22 . 1 1 10 10 GLU C C 10 176.400 176.400 176.867 -0.467 18818 12067 1 22 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.366 -1.466 18818 12068 1 22 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.616 -0.015 18818 12069 1 22 . 1 1 10 10 GLU H H 10 8.470 8.470 8.433 0.037 18818 12070 1 22 . 1 1 11 11 ASP N N 11 120.600 120.600 118.068 2.532 18818 12071 1 22 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.657 -0.047 18818 12072 1 22 . 1 1 11 11 ASP C C 11 176.100 176.100 175.018 1.082 18818 12073 1 22 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.537 0.763 18818 12074 1 22 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.913 -1.113 18818 12075 1 22 . 1 1 11 11 ASP H H 11 8.200 8.200 8.087 0.113 18818 12076 1 22 . 1 1 12 12 ALA N N 12 123.800 123.800 120.847 2.953 18818 12077 1 22 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.499 0.591 18818 12078 1 22 . 1 1 12 12 ALA C C 12 177.800 177.800 175.828 1.972 18818 12079 1 22 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.833 -0.333 18818 12080 1 22 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.329 1.471 18818 12081 1 22 . 1 1 12 12 ALA H H 12 8.070 8.070 8.089 -0.019 18818 12082 1 22 . 1 1 13 13 GLN N N 13 118.500 118.500 116.856 1.644 18818 12083 1 22 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.370 -0.100 18818 12084 1 22 . 1 1 13 13 GLN C C 13 175.700 175.700 176.590 -0.890 18818 12085 1 22 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.798 0.102 18818 12086 1 22 . 1 1 13 13 GLN CB C 13 29.100 29.100 28.966 0.134 18818 12087 1 22 . 1 1 13 13 GLN H H 13 8.230 8.230 8.450 -0.220 18818 12088 1 22 . 1 1 14 14 GLU N N 14 120.600 120.600 119.242 1.358 18818 12089 1 22 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.229 0.071 18818 12090 1 22 . 1 1 14 14 GLU C C 14 175.800 175.800 176.001 -0.201 18818 12091 1 22 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.685 -1.885 18818 12092 1 22 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.801 0.099 18818 12093 1 22 . 1 1 14 14 GLU H H 14 8.100 8.100 8.047 0.053 18818 12094 1 22 . 1 1 15 15 PHE N N 15 121.100 121.100 118.158 2.942 18818 12095 1 22 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.988 -0.108 18818 12096 1 22 . 1 1 15 15 PHE C C 15 176.900 176.900 176.726 0.174 18818 12097 1 22 . 1 1 15 15 PHE CA C 15 55.300 55.300 54.712 0.589 18818 12098 1 22 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.119 -0.819 18818 12099 1 22 . 1 1 15 15 PHE H H 15 8.030 8.030 7.431 0.599 18818 12100 1 22 . 1 1 16 16 SER N N 16 119.400 119.400 117.225 2.175 18818 12101 1 22 . 1 1 16 16 SER HA H 16 4.850 4.850 4.532 0.318 18818 12102 1 22 . 1 1 16 16 SER C C 16 174.800 174.800 175.689 -0.889 18818 12103 1 22 . 1 1 16 16 SER CA C 16 57.000 57.000 58.019 -1.019 18818 12104 1 22 . 1 1 16 16 SER CB C 16 65.600 65.600 64.909 0.691 18818 12105 1 22 . 1 1 16 16 SER H H 16 9.530 9.530 8.470 1.060 18818 12106 1 22 . 1 1 17 17 ASP N N 17 121.300 121.300 121.124 0.176 18818 12107 1 22 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.473 0.077 18818 12108 1 22 . 1 1 17 17 ASP C C 17 179.700 179.700 178.257 1.443 18818 12109 1 22 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.722 0.278 18818 12110 1 22 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.454 -0.954 18818 12111 1 22 . 1 1 17 17 ASP H H 17 9.270 9.270 8.946 0.324 18818 12112 1 22 . 1 1 18 18 VAL N N 18 120.600 120.600 118.951 1.649 18818 12113 1 22 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.868 -0.188 18818 12114 1 22 . 1 1 18 18 VAL C C 18 176.900 176.900 176.748 0.152 18818 12115 1 22 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.151 1.349 18818 12116 1 22 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.342 -0.442 18818 12117 1 22 . 1 1 18 18 VAL H H 18 8.230 8.230 8.081 0.149 18818 12118 1 22 . 1 1 19 19 GLU N N 19 121.000 121.000 119.325 1.675 18818 12119 1 22 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.026 -0.286 18818 12120 1 22 . 1 1 19 19 GLU C C 19 178.600 178.600 178.845 -0.245 18818 12121 1 22 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.133 0.867 18818 12122 1 22 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.555 -0.855 18818 12123 1 22 . 1 1 19 19 GLU H H 19 8.180 8.180 8.163 0.017 18818 12124 1 22 . 1 1 20 20 ARG N N 20 118.100 118.100 117.842 0.258 18818 12125 1 22 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.536 -0.236 18818 12126 1 22 . 1 1 20 20 ARG C C 20 178.700 178.700 178.228 0.472 18818 12127 1 22 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.809 0.291 18818 12128 1 22 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.104 -0.404 18818 12129 1 22 . 1 1 20 20 ARG H H 20 8.920 8.920 8.785 0.135 18818 12130 1 22 . 1 1 21 21 ALA N N 21 123.800 123.800 124.173 -0.373 18818 12131 1 22 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.241 0.179 18818 12132 1 22 . 1 1 21 21 ALA C C 21 179.300 179.300 179.648 -0.348 18818 12133 1 22 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.968 0.232 18818 12134 1 22 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.365 -0.465 18818 12135 1 22 . 1 1 21 21 ALA H H 21 8.060 8.060 7.805 0.255 18818 12136 1 22 . 1 1 22 22 ILE N N 22 118.200 118.200 117.895 0.305 18818 12137 1 22 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.846 -0.126 18818 12138 1 22 . 1 1 22 22 ILE C C 22 177.500 177.500 178.282 -0.782 18818 12139 1 22 . 1 1 22 22 ILE CA C 22 66.000 66.000 63.777 2.223 18818 12140 1 22 . 1 1 22 22 ILE CB C 22 37.400 37.400 36.196 1.204 18818 12141 1 22 . 1 1 22 22 ILE H H 22 8.010 8.010 7.763 0.247 18818 12142 1 22 . 1 1 23 23 GLU N N 23 120.100 120.100 120.601 -0.501 18818 12143 1 22 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.185 -0.225 18818 12144 1 22 . 1 1 23 23 GLU C C 23 178.000 178.000 179.298 -1.298 18818 12145 1 22 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.944 0.356 18818 12146 1 22 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.187 0.313 18818 12147 1 22 . 1 1 23 23 GLU H H 23 8.450 8.450 8.063 0.387 18818 12148 1 22 . 1 1 24 24 THR N N 24 117.300 117.300 115.200 2.100 18818 12149 1 22 . 1 1 24 24 THR HA H 24 4.010 4.010 4.211 -0.201 18818 12150 1 22 . 1 1 24 24 THR C C 24 177.000 177.000 176.750 0.250 18818 12151 1 22 . 1 1 24 24 THR CA C 24 67.100 67.100 66.599 0.501 18818 12152 1 22 . 1 1 24 24 THR CB C 24 68.200 68.200 68.706 -0.506 18818 12153 1 22 . 1 1 24 24 THR H H 24 8.720 8.720 8.009 0.711 18818 12154 1 22 . 1 1 25 25 LEU N N 25 123.400 123.400 119.004 4.396 18818 12155 1 22 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.552 -0.272 18818 12156 1 22 . 1 1 25 25 LEU C C 25 178.200 178.200 178.391 -0.191 18818 12157 1 22 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.409 1.891 18818 12158 1 22 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.617 0.083 18818 12159 1 22 . 1 1 25 25 LEU H H 25 8.150 8.150 7.494 0.656 18818 12160 1 22 . 1 1 26 26 ILE N N 26 119.500 119.500 121.542 -2.042 18818 12161 1 22 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.866 0.134 18818 12162 1 22 . 1 1 26 26 ILE C C 26 177.900 177.900 178.679 -0.779 18818 12163 1 22 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.953 -0.853 18818 12164 1 22 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.122 0.178 18818 12165 1 22 . 1 1 26 26 ILE H H 26 8.510 8.510 8.626 -0.116 18818 12166 1 22 . 1 1 27 27 LYS N N 27 120.500 120.500 117.478 3.022 18818 12167 1 22 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.304 -0.154 18818 12168 1 22 . 1 1 27 27 LYS C C 27 179.600 179.600 179.287 0.313 18818 12169 1 22 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.643 1.457 18818 12170 1 22 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.710 0.290 18818 12171 1 22 . 1 1 27 27 LYS H H 27 9.000 9.000 8.564 0.436 18818 12172 1 22 . 1 1 28 28 ASN N N 28 117.300 117.300 117.066 0.234 18818 12173 1 22 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.711 -0.151 18818 12174 1 22 . 1 1 28 28 ASN C C 28 176.000 176.000 176.973 -0.973 18818 12175 1 22 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.775 1.925 18818 12176 1 22 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.604 1.696 18818 12177 1 22 . 1 1 28 28 ASN H H 28 7.990 7.990 7.794 0.196 18818 12178 1 22 . 1 1 29 29 PHE N N 29 119.100 119.100 121.231 -2.131 18818 12179 1 22 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.545 0.365 18818 12180 1 22 . 1 1 29 29 PHE C C 29 176.200 176.200 176.712 -0.512 18818 12181 1 22 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.169 0.031 18818 12182 1 22 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.563 0.037 18818 12183 1 22 . 1 1 29 29 PHE H H 29 7.990 7.990 7.685 0.305 18818 12184 1 22 . 1 1 30 30 HIS N N 30 114.700 114.700 116.070 -1.370 18818 12185 1 22 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.321 -0.001 18818 12186 1 22 . 1 1 30 30 HIS C C 30 177.400 177.400 177.509 -0.109 18818 12187 1 22 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.720 -0.220 18818 12188 1 22 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.552 0.048 18818 12189 1 22 . 1 1 30 30 HIS H H 30 8.180 8.180 7.671 0.509 18818 12190 1 22 . 1 1 31 31 GLN N N 31 118.500 118.500 117.140 1.360 18818 12191 1 22 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.160 -0.080 18818 12192 1 22 . 1 1 31 31 GLN C C 31 176.600 176.600 176.634 -0.034 18818 12193 1 22 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.390 0.410 18818 12194 1 22 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.654 -0.254 18818 12195 1 22 . 1 1 31 31 GLN H H 31 8.280 8.280 8.390 -0.110 18818 12196 1 22 . 1 1 32 32 TYR N N 32 115.700 115.700 118.306 -2.606 18818 12197 1 22 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.442 -0.232 18818 12198 1 22 . 1 1 32 32 TYR C C 32 174.800 174.800 176.931 -2.131 18818 12199 1 22 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.941 -0.240 18818 12200 1 22 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.138 -1.438 18818 12201 1 22 . 1 1 32 32 TYR H H 32 7.410 7.410 7.746 -0.336 18818 12202 1 22 . 1 1 33 33 SER N N 33 114.000 114.000 116.432 -2.432 18818 12203 1 22 . 1 1 33 33 SER HA H 33 4.530 4.530 4.511 0.019 18818 12204 1 22 . 1 1 33 33 SER C C 33 175.000 175.000 175.516 -0.516 18818 12205 1 22 . 1 1 33 33 SER CA C 33 57.200 57.200 58.868 -1.668 18818 12206 1 22 . 1 1 33 33 SER CB C 33 63.200 63.200 62.638 0.562 18818 12207 1 22 . 1 1 33 33 SER H H 33 7.260 7.260 7.902 -0.642 18818 12208 1 22 . 1 1 34 34 VAL N N 34 126.600 126.600 122.257 4.343 18818 12209 1 22 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.824 0.186 18818 12210 1 22 . 1 1 34 34 VAL C C 34 177.800 177.800 176.907 0.893 18818 12211 1 22 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.397 1.003 18818 12212 1 22 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.492 0.608 18818 12213 1 22 . 1 1 34 34 VAL H H 34 8.490 8.490 7.990 0.500 18818 12214 1 22 . 1 1 35 35 GLU N N 35 122.100 122.100 119.496 2.604 18818 12215 1 22 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.075 0.175 18818 12216 1 22 . 1 1 35 35 GLU C C 35 177.800 177.800 177.323 0.477 18818 12217 1 22 . 1 1 35 35 GLU CA C 35 57.500 57.500 58.298 -0.798 18818 12218 1 22 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.542 0.258 18818 12219 1 22 . 1 1 35 35 GLU H H 35 8.980 8.980 7.962 1.018 18818 12220 1 22 . 1 1 36 36 GLY N N 36 108.500 108.500 106.235 2.265 18818 12221 1 22 . 1 1 36 36 GLY C C 36 175.000 175.000 175.190 -0.190 18818 12222 1 22 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.410 -0.110 18818 12223 1 22 . 1 1 36 36 GLY H H 36 8.490 8.490 7.651 0.839 18818 12224 1 22 . 1 1 37 37 GLY N N 37 108.700 108.700 109.964 -1.264 18818 12225 1 22 . 1 1 37 37 GLY C C 37 174.100 174.100 175.970 -1.870 18818 12226 1 22 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.533 0.267 18818 12227 1 22 . 1 1 37 37 GLY H H 37 8.140 8.140 8.542 -0.402 18818 12228 1 22 . 1 1 38 38 LYS N N 38 118.000 118.000 117.237 0.763 18818 12229 1 22 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.772 0.698 18818 12230 1 22 . 1 1 38 38 LYS C C 38 176.000 176.000 177.256 -1.256 18818 12231 1 22 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.270 -3.170 18818 12232 1 22 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.291 1.409 18818 12233 1 22 . 1 1 38 38 LYS H H 38 8.050 8.050 8.274 -0.224 18818 12234 1 22 . 1 1 39 39 GLU N N 39 118.100 118.100 115.623 2.477 18818 12235 1 22 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.635 -0.075 18818 12236 1 22 . 1 1 39 39 GLU C C 39 175.600 175.600 175.763 -0.163 18818 12237 1 22 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.278 -0.478 18818 12238 1 22 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.303 -1.103 18818 12239 1 22 . 1 1 39 39 GLU H H 39 8.630 8.630 8.320 0.310 18818 12240 1 22 . 1 1 40 40 THR N N 40 108.100 108.100 107.300 0.800 18818 12241 1 22 . 1 1 40 40 THR HA H 40 5.160 5.160 5.326 -0.166 18818 12242 1 22 . 1 1 40 40 THR C C 40 173.400 173.400 172.893 0.507 18818 12243 1 22 . 1 1 40 40 THR CA C 40 59.300 59.300 60.311 -1.011 18818 12244 1 22 . 1 1 40 40 THR CB C 40 72.100 72.100 71.975 0.125 18818 12245 1 22 . 1 1 40 40 THR H H 40 7.490 7.490 7.378 0.112 18818 12246 1 22 . 1 1 41 41 LEU N N 41 120.700 120.700 121.237 -0.537 18818 12247 1 22 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.953 0.087 18818 12248 1 22 . 1 1 41 41 LEU C C 41 177.000 177.000 176.656 0.344 18818 12249 1 22 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.762 -0.462 18818 12250 1 22 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.027 1.273 18818 12251 1 22 . 1 1 41 41 LEU H H 41 8.660 8.660 8.426 0.234 18818 12252 1 22 . 1 1 42 42 THR N N 42 113.500 113.500 108.697 4.803 18818 12253 1 22 . 1 1 42 42 THR HA H 42 5.000 5.000 4.832 0.168 18818 12254 1 22 . 1 1 42 42 THR C C 42 174.100 174.100 173.507 0.593 18818 12255 1 22 . 1 1 42 42 THR CA C 42 59.800 59.800 58.808 0.992 18818 12256 1 22 . 1 1 42 42 THR CB C 42 68.100 68.100 69.828 -1.728 18818 12257 1 22 . 1 1 42 42 THR H H 42 9.130 9.130 8.155 0.975 18818 12258 1 22 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.237 -0.087 18818 12259 1 22 . 1 1 43 43 PRO C C 43 178.600 178.600 179.227 -0.627 18818 12260 1 22 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.158 0.042 18818 12261 1 22 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.676 0.024 18818 12262 1 22 . 1 1 44 44 SER N N 44 111.600 111.600 113.468 -1.868 18818 12263 1 22 . 1 1 44 44 SER HA H 44 4.170 4.170 4.199 -0.029 18818 12264 1 22 . 1 1 44 44 SER C C 44 176.200 176.200 176.694 -0.494 18818 12265 1 22 . 1 1 44 44 SER CA C 44 61.500 61.500 61.815 -0.315 18818 12266 1 22 . 1 1 44 44 SER CB C 44 62.200 62.200 62.910 -0.710 18818 12267 1 22 . 1 1 44 44 SER H H 44 8.090 8.090 8.518 -0.427 18818 12268 1 22 . 1 1 45 45 GLU N N 45 123.900 123.900 120.952 2.948 18818 12269 1 22 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.286 -0.026 18818 12270 1 22 . 1 1 45 45 GLU C C 45 179.000 179.000 178.184 0.816 18818 12271 1 22 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.377 0.723 18818 12272 1 22 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.527 0.173 18818 12273 1 22 . 1 1 45 45 GLU H H 45 7.700 7.700 8.050 -0.350 18818 12274 1 22 . 1 1 46 46 LEU N N 46 118.900 118.900 122.761 -3.861 18818 12275 1 22 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.990 0.090 18818 12276 1 22 . 1 1 46 46 LEU C C 46 177.600 177.600 178.874 -1.274 18818 12277 1 22 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.262 -0.962 18818 12278 1 22 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.953 -1.054 18818 12279 1 22 . 1 1 46 46 LEU H H 46 8.400 8.400 8.642 -0.242 18818 12280 1 22 . 1 1 47 47 ARG N N 47 119.300 119.300 118.025 1.275 18818 12281 1 22 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.897 -0.127 18818 12282 1 22 . 1 1 47 47 ARG C C 47 178.900 178.900 178.317 0.583 18818 12283 1 22 . 1 1 47 47 ARG CA C 47 60.000 60.000 60.033 -0.033 18818 12284 1 22 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.860 -0.860 18818 12285 1 22 . 1 1 47 47 ARG H H 47 8.260 8.260 8.394 -0.134 18818 12286 1 22 . 1 1 48 48 ASP N N 48 122.300 122.300 119.884 2.416 18818 12287 1 22 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.467 -0.037 18818 12288 1 22 . 1 1 48 48 ASP C C 48 176.700 176.700 178.701 -2.001 18818 12289 1 22 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.510 -0.010 18818 12290 1 22 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.028 -1.628 18818 12291 1 22 . 1 1 48 48 ASP H H 48 8.160 8.160 7.799 0.361 18818 12292 1 22 . 1 1 49 49 LEU N N 49 122.600 122.600 116.938 5.662 18818 12293 1 22 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.955 -0.785 18818 12294 1 22 . 1 1 49 49 LEU C C 49 179.100 179.100 178.138 0.962 18818 12295 1 22 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.492 1.508 18818 12296 1 22 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.280 0.020 18818 12297 1 22 . 1 1 49 49 LEU H H 49 7.980 7.980 7.671 0.309 18818 12298 1 22 . 1 1 50 50 VAL N N 50 118.200 118.200 121.287 -3.087 18818 12299 1 22 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.560 -0.010 18818 12300 1 22 . 1 1 50 50 VAL C C 50 178.800 178.800 178.125 0.675 18818 12301 1 22 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.087 -0.687 18818 12302 1 22 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.632 -0.132 18818 12303 1 22 . 1 1 50 50 VAL H H 50 8.390 8.390 7.750 0.640 18818 12304 1 22 . 1 1 51 51 THR N N 51 115.000 115.000 112.805 2.195 18818 12305 1 22 . 1 1 51 51 THR HA H 51 3.990 3.990 4.062 -0.072 18818 12306 1 22 . 1 1 51 51 THR C C 51 176.000 176.000 175.717 0.283 18818 12307 1 22 . 1 1 51 51 THR CA C 51 65.800 65.800 64.949 0.851 18818 12308 1 22 . 1 1 51 51 THR CB C 51 68.900 68.900 68.629 0.271 18818 12309 1 22 . 1 1 51 51 THR H H 51 8.480 8.480 8.029 0.451 18818 12310 1 22 . 1 1 52 52 GLN N N 52 116.400 116.400 118.569 -2.169 18818 12311 1 22 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.326 -0.076 18818 12312 1 22 . 1 1 52 52 GLN C C 52 178.300 178.300 177.397 0.903 18818 12313 1 22 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.803 -0.003 18818 12314 1 22 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.647 -1.147 18818 12315 1 22 . 1 1 52 52 GLN H H 52 8.180 8.180 7.777 0.403 18818 12316 1 22 . 1 1 53 53 GLN N N 53 112.100 112.100 115.912 -3.812 18818 12317 1 22 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.380 0.470 18818 12318 1 22 . 1 1 53 53 GLN C C 53 176.900 176.900 176.608 0.292 18818 12319 1 22 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.952 -1.952 18818 12320 1 22 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.342 -1.942 18818 12321 1 22 . 1 1 53 53 GLN H H 53 8.490 8.490 8.032 0.458 18818 12322 1 22 . 1 1 54 54 LEU N N 54 119.800 119.800 119.615 0.185 18818 12323 1 22 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.921 0.329 18818 12324 1 22 . 1 1 54 54 LEU C C 54 176.900 176.900 174.842 2.058 18818 12325 1 22 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.337 1.563 18818 12326 1 22 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.776 0.324 18818 12327 1 22 . 1 1 54 54 LEU H H 54 7.920 7.920 7.475 0.445 18818 12328 1 22 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.265 0.205 18818 12329 1 22 . 1 1 55 55 PRO C C 55 178.300 178.300 177.249 1.051 18818 12330 1 22 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.825 0.476 18818 12331 1 22 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.751 -1.051 18818 12332 1 22 . 1 1 56 56 HIS N N 56 116.500 116.500 117.271 -0.771 18818 12333 1 22 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.533 0.057 18818 12334 1 22 . 1 1 56 56 HIS C C 56 176.300 176.300 176.748 -0.448 18818 12335 1 22 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.002 -0.202 18818 12336 1 22 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.599 -1.299 18818 12337 1 22 . 1 1 56 56 HIS H H 56 9.770 9.770 8.244 1.526 18818 12338 1 22 . 1 1 57 57 LEU N N 57 116.600 116.600 119.510 -2.910 18818 12339 1 22 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.475 -0.145 18818 12340 1 22 . 1 1 57 57 LEU C C 57 176.400 176.400 175.315 1.085 18818 12341 1 22 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.054 0.346 18818 12342 1 22 . 1 1 57 57 LEU CB C 57 42.500 42.500 43.279 -0.779 18818 12343 1 22 . 1 1 57 57 LEU H H 57 7.830 7.830 7.818 0.012 18818 12344 1 22 . 1 1 58 58 MET N N 58 118.000 118.000 118.034 -0.034 18818 12345 1 22 . 1 1 58 58 MET HA H 58 4.540 4.540 4.769 -0.229 18818 12346 1 22 . 1 1 58 58 MET C C 58 171.600 171.600 173.417 -1.817 18818 12347 1 22 . 1 1 58 58 MET CA C 58 53.500 53.500 52.038 1.462 18818 12348 1 22 . 1 1 58 58 MET CB C 58 32.700 32.700 33.995 -1.295 18818 12349 1 22 . 1 1 58 58 MET H H 58 7.970 7.970 7.924 0.046 18818 12350 1 22 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.700 -0.250 18818 12351 1 22 . 1 1 59 59 PRO C C 59 177.400 177.400 177.811 -0.411 18818 12352 1 22 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.495 0.605 18818 12353 1 22 . 1 1 59 59 PRO CB C 59 31.900 31.900 33.292 -1.392 18818 12354 1 22 . 1 1 60 60 SER N N 60 114.900 114.900 118.294 -3.394 18818 12355 1 22 . 1 1 60 60 SER HA H 60 4.340 4.340 4.047 0.293 18818 12356 1 22 . 1 1 60 60 SER C C 60 174.700 174.700 176.388 -1.688 18818 12357 1 22 . 1 1 60 60 SER CA C 60 59.100 59.100 62.066 -2.966 18818 12358 1 22 . 1 1 60 60 SER CB C 60 63.200 63.200 62.981 0.219 18818 12359 1 22 . 1 1 60 60 SER H H 60 8.360 8.360 8.881 -0.521 18818 12360 1 22 . 1 1 61 61 ASN N N 61 120.800 120.800 119.044 1.756 18818 12361 1 22 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.551 0.259 18818 12362 1 22 . 1 1 61 61 ASN C C 61 175.500 175.500 176.030 -0.530 18818 12363 1 22 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.257 -2.257 18818 12364 1 22 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.469 -0.569 18818 12365 1 22 . 1 1 61 61 ASN H H 61 7.990 7.990 8.290 -0.300 18818 12366 1 22 . 1 1 62 62 CYS N N 62 117.800 117.800 116.824 0.976 18818 12367 1 22 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.549 0.041 18818 12368 1 22 . 1 1 62 62 CYS C C 62 175.300 175.300 174.455 0.845 18818 12369 1 22 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.074 0.126 18818 12370 1 22 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.555 -1.155 18818 12371 1 22 . 1 1 62 62 CYS H H 62 8.260 8.260 7.613 0.647 18818 12372 1 22 . 1 1 63 63 GLY N N 63 111.300 111.300 109.931 1.369 18818 12373 1 22 . 1 1 63 63 GLY C C 63 175.600 175.600 175.641 -0.041 18818 12374 1 22 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.103 1.196 18818 12375 1 22 . 1 1 63 63 GLY H H 63 8.520 8.520 7.831 0.689 18818 12376 1 22 . 1 1 64 64 LEU N N 64 122.400 122.400 120.955 1.445 18818 12377 1 22 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.212 -0.162 18818 12378 1 22 . 1 1 64 64 LEU C C 64 177.900 177.900 178.139 -0.239 18818 12379 1 22 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.112 1.488 18818 12380 1 22 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.349 0.651 18818 12381 1 22 . 1 1 64 64 LEU H H 64 7.910 7.910 8.308 -0.398 18818 12382 1 22 . 1 1 65 65 GLU N N 65 117.900 117.900 120.465 -2.565 18818 12383 1 22 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.891 0.019 18818 12384 1 22 . 1 1 65 65 GLU C C 65 179.100 179.100 177.906 1.194 18818 12385 1 22 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.821 1.179 18818 12386 1 22 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.308 0.092 18818 12387 1 22 . 1 1 65 65 GLU H H 65 8.660 8.660 8.207 0.453 18818 12388 1 22 . 1 1 66 66 GLU N N 66 120.000 120.000 120.279 -0.279 18818 12389 1 22 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.086 0.034 18818 12390 1 22 . 1 1 66 66 GLU C C 66 178.200 178.200 178.694 -0.494 18818 12391 1 22 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.831 0.269 18818 12392 1 22 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.473 -0.373 18818 12393 1 22 . 1 1 66 66 GLU H H 66 8.220 8.220 8.150 0.070 18818 12394 1 22 . 1 1 67 67 LYS N N 67 119.300 119.300 118.334 0.966 18818 12395 1 22 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.130 0.010 18818 12396 1 22 . 1 1 67 67 LYS C C 67 179.400 179.400 178.951 0.449 18818 12397 1 22 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.070 0.830 18818 12398 1 22 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.063 0.037 18818 12399 1 22 . 1 1 67 67 LYS H H 67 7.780 7.780 7.605 0.175 18818 12400 1 22 . 1 1 68 68 ILE N N 68 118.400 118.400 120.456 -2.056 18818 12401 1 22 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.752 -0.032 18818 12402 1 22 . 1 1 68 68 ILE C C 68 177.800 177.800 177.621 0.179 18818 12403 1 22 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.554 -0.054 18818 12404 1 22 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.636 -0.336 18818 12405 1 22 . 1 1 68 68 ILE H H 68 8.230 8.230 7.350 0.880 18818 12406 1 22 . 1 1 69 69 ALA N N 69 122.900 122.900 121.109 1.791 18818 12407 1 22 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.016 0.204 18818 12408 1 22 . 1 1 69 69 ALA C C 69 179.600 179.600 179.754 -0.154 18818 12409 1 22 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.070 -0.670 18818 12410 1 22 . 1 1 69 69 ALA CB C 69 17.900 17.900 17.989 -0.089 18818 12411 1 22 . 1 1 69 69 ALA H H 69 8.070 8.070 8.523 -0.453 18818 12412 1 22 . 1 1 70 70 ASN N N 70 115.400 115.400 117.839 -2.439 18818 12413 1 22 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.541 0.329 18818 12414 1 22 . 1 1 70 70 ASN C C 70 176.500 176.500 177.873 -1.373 18818 12415 1 22 . 1 1 70 70 ASN CA C 70 54.300 54.300 56.179 -1.879 18818 12416 1 22 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.739 -0.039 18818 12417 1 22 . 1 1 70 70 ASN H H 70 7.880 7.880 7.722 0.158 18818 12418 1 22 . 1 1 71 71 LEU N N 71 120.600 120.600 116.204 4.396 18818 12419 1 22 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.518 -0.188 18818 12420 1 22 . 1 1 71 71 LEU C C 71 178.300 178.300 178.240 0.060 18818 12421 1 22 . 1 1 71 71 LEU CA C 71 56.300 56.300 56.094 0.206 18818 12422 1 22 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.127 1.173 18818 12423 1 22 . 1 1 71 71 LEU H H 71 7.820 7.820 7.470 0.350 18818 12424 1 22 . 1 1 72 72 GLY N N 72 106.800 106.800 106.727 0.073 18818 12425 1 22 . 1 1 72 72 GLY C C 72 174.400 174.400 174.580 -0.180 18818 12426 1 22 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.615 0.085 18818 12427 1 22 . 1 1 72 72 GLY H H 72 8.240 8.240 8.148 0.092 18818 12428 1 22 . 1 1 73 73 SER N N 73 115.600 115.600 115.179 0.421 18818 12429 1 22 . 1 1 73 73 SER HA H 73 4.570 4.570 4.303 0.267 18818 12430 1 22 . 1 1 73 73 SER C C 73 175.000 175.000 174.952 0.048 18818 12431 1 22 . 1 1 73 73 SER CA C 73 58.900 58.900 59.553 -0.653 18818 12432 1 22 . 1 1 73 73 SER CB C 73 63.600 63.600 63.579 0.021 18818 12433 1 22 . 1 1 73 73 SER H H 73 8.220 8.220 7.638 0.582 18818 12434 1 22 . 1 1 74 74 CYS N N 74 119.300 119.300 121.558 -2.258 18818 12435 1 22 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.195 0.455 18818 12436 1 22 . 1 1 74 74 CYS C C 74 174.500 174.500 173.807 0.693 18818 12437 1 22 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.366 -0.666 18818 12438 1 22 . 1 1 74 74 CYS CB C 74 27.700 27.700 26.285 1.415 18818 12439 1 22 . 1 1 74 74 CYS H H 74 8.260 8.260 8.588 -0.328 18818 12440 1 22 . 1 1 75 75 ASN N N 75 120.000 120.000 118.617 1.383 18818 12441 1 22 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.865 -0.025 18818 12442 1 22 . 1 1 75 75 ASN C C 75 174.700 174.700 174.286 0.414 18818 12443 1 22 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.667 0.133 18818 12444 1 22 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.203 -0.302 18818 12445 1 22 . 1 1 75 75 ASN H H 75 8.430 8.430 7.928 0.502 18818 12446 1 22 . 1 1 76 76 ASP N N 76 119.200 119.200 123.575 -4.375 18818 12447 1 22 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.731 -0.061 18818 12448 1 22 . 1 1 76 76 ASP C C 76 175.500 175.500 176.946 -1.446 18818 12449 1 22 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.757 -0.357 18818 12450 1 22 . 1 1 76 76 ASP CB C 76 40.600 40.600 42.222 -1.622 18818 12451 1 22 . 1 1 76 76 ASP H H 76 8.300 8.300 8.715 -0.415 18818 12452 1 22 . 1 1 77 77 SER N N 77 112.800 112.800 115.452 -2.652 18818 12453 1 22 . 1 1 77 77 SER HA H 77 4.260 4.260 4.406 -0.146 18818 12454 1 22 . 1 1 77 77 SER C C 77 173.300 173.300 174.922 -1.622 18818 12455 1 22 . 1 1 77 77 SER CA C 77 59.000 59.000 58.815 0.185 18818 12456 1 22 . 1 1 77 77 SER CB C 77 63.100 63.100 63.045 0.055 18818 12457 1 22 . 1 1 77 77 SER H H 77 8.220 8.220 8.388 -0.168 18818 12458 1 22 . 1 1 78 78 LYS N N 78 120.600 120.600 117.079 3.521 18818 12459 1 22 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.010 0.550 18818 12460 1 22 . 1 1 78 78 LYS C C 78 175.300 175.300 176.693 -1.393 18818 12461 1 22 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.034 -1.434 18818 12462 1 22 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.334 1.966 18818 12463 1 22 . 1 1 78 78 LYS H H 78 7.930 7.930 8.220 -0.290 18818 12464 1 22 . 1 1 79 79 LEU N N 79 123.700 123.700 123.288 0.412 18818 12465 1 22 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.547 0.233 18818 12466 1 22 . 1 1 79 79 LEU C C 79 176.100 176.100 176.374 -0.274 18818 12467 1 22 . 1 1 79 79 LEU CA C 79 54.200 54.200 53.978 0.222 18818 12468 1 22 . 1 1 79 79 LEU CB C 79 42.000 42.000 40.297 1.703 18818 12469 1 22 . 1 1 79 79 LEU H H 79 9.020 9.020 8.776 0.244 18818 12470 1 22 . 1 1 80 80 GLU N N 80 121.200 121.200 121.640 -0.440 18818 12471 1 22 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.226 0.674 18818 12472 1 22 . 1 1 80 80 GLU C C 80 177.100 177.100 177.493 -0.393 18818 12473 1 22 . 1 1 80 80 GLU CA C 80 55.200 55.200 57.685 -2.485 18818 12474 1 22 . 1 1 80 80 GLU CB C 80 31.600 31.600 30.264 1.337 18818 12475 1 22 . 1 1 80 80 GLU H H 80 8.630 8.630 7.716 0.914 18818 12476 1 22 . 1 1 81 81 PHE N N 81 123.500 123.500 123.950 -0.450 18818 12477 1 22 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.152 0.378 18818 12478 1 22 . 1 1 81 81 PHE C C 81 177.000 177.000 176.763 0.237 18818 12479 1 22 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.858 -0.558 18818 12480 1 22 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.159 -0.659 18818 12481 1 22 . 1 1 81 81 PHE H H 81 9.360 9.360 8.425 0.935 18818 12482 1 22 . 1 1 82 82 ARG N N 82 116.500 116.500 117.487 -0.987 18818 12483 1 22 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.978 0.062 18818 12484 1 22 . 1 1 82 82 ARG C C 82 178.000 178.000 178.425 -0.425 18818 12485 1 22 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.822 0.378 18818 12486 1 22 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.241 -0.041 18818 12487 1 22 . 1 1 82 82 ARG H H 82 8.940 8.940 8.900 0.040 18818 12488 1 22 . 1 1 83 83 SER N N 83 115.700 115.700 116.470 -0.770 18818 12489 1 22 . 1 1 83 83 SER HA H 83 4.510 4.510 4.602 -0.092 18818 12490 1 22 . 1 1 83 83 SER C C 83 175.800 175.800 176.106 -0.306 18818 12491 1 22 . 1 1 83 83 SER CA C 83 61.700 61.700 61.001 0.699 18818 12492 1 22 . 1 1 83 83 SER CB C 83 62.700 62.700 63.534 -0.834 18818 12493 1 22 . 1 1 83 83 SER H H 83 7.610 7.610 7.816 -0.206 18818 12494 1 22 . 1 1 84 84 PHE N N 84 122.200 122.200 124.619 -2.419 18818 12495 1 22 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.117 0.103 18818 12496 1 22 . 1 1 84 84 PHE C C 84 175.000 175.000 176.296 -1.296 18818 12497 1 22 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.948 -1.948 18818 12498 1 22 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.064 0.136 18818 12499 1 22 . 1 1 84 84 PHE H H 84 7.490 7.490 8.427 -0.937 18818 12500 1 22 . 1 1 85 85 TRP N N 85 120.700 120.700 119.433 1.267 18818 12501 1 22 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.049 -0.289 18818 12502 1 22 . 1 1 85 85 TRP CA C 85 59.800 59.800 61.127 -1.327 18818 12503 1 22 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.405 -0.205 18818 12504 1 22 . 1 1 85 85 TRP H H 85 8.770 8.770 8.057 0.713 18818 12505 1 22 . 1 1 86 86 GLU N N 86 119.100 119.100 117.739 1.361 18818 12506 1 22 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.900 0.180 18818 12507 1 22 . 1 1 86 86 GLU C C 86 179.100 179.100 178.714 0.386 18818 12508 1 22 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.225 0.075 18818 12509 1 22 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.212 0.288 18818 12510 1 22 . 1 1 86 86 GLU H H 86 8.150 8.150 7.999 0.151 18818 12511 1 22 . 1 1 87 87 LEU N N 87 120.800 120.800 119.277 1.523 18818 12512 1 22 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.070 -0.020 18818 12513 1 22 . 1 1 87 87 LEU C C 87 178.900 178.900 177.952 0.948 18818 12514 1 22 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.680 1.220 18818 12515 1 22 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.092 -0.792 18818 12516 1 22 . 1 1 87 87 LEU H H 87 7.600 7.600 7.172 0.428 18818 12517 1 22 . 1 1 88 88 ILE N N 88 115.200 115.200 120.162 -4.962 18818 12518 1 22 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.301 0.279 18818 12519 1 22 . 1 1 88 88 ILE C C 88 177.300 177.300 177.398 -0.098 18818 12520 1 22 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.391 -2.391 18818 12521 1 22 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.686 -1.086 18818 12522 1 22 . 1 1 88 88 ILE H H 88 7.960 7.960 7.684 0.276 18818 12523 1 22 . 1 1 89 89 GLY N N 89 108.100 108.100 106.737 1.363 18818 12524 1 22 . 1 1 89 89 GLY C C 89 175.700 175.700 175.460 0.240 18818 12525 1 22 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.009 -1.609 18818 12526 1 22 . 1 1 89 89 GLY H H 89 7.620 7.620 7.912 -0.292 18818 12527 1 22 . 1 1 90 90 GLU N N 90 120.000 120.000 121.354 -1.354 18818 12528 1 22 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.119 -0.159 18818 12529 1 22 . 1 1 90 90 GLU C C 90 179.100 179.100 178.807 0.293 18818 12530 1 22 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.731 0.469 18818 12531 1 22 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.236 -0.437 18818 12532 1 22 . 1 1 90 90 GLU H H 90 7.410 7.410 7.385 0.025 18818 12533 1 22 . 1 1 91 91 ALA N N 91 122.400 122.400 123.592 -1.192 18818 12534 1 22 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.953 0.067 18818 12535 1 22 . 1 1 91 91 ALA C C 91 178.700 178.700 179.315 -0.615 18818 12536 1 22 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.983 -0.983 18818 12537 1 22 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.238 -0.238 18818 12538 1 22 . 1 1 91 91 ALA H H 91 7.610 7.610 7.814 -0.204 18818 12539 1 22 . 1 1 92 92 ALA N N 92 118.000 118.000 118.534 -0.534 18818 12540 1 22 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.062 -0.392 18818 12541 1 22 . 1 1 92 92 ALA C C 92 177.900 177.900 179.485 -1.585 18818 12542 1 22 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.145 -0.245 18818 12543 1 22 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.327 -0.427 18818 12544 1 22 . 1 1 92 92 ALA H H 92 7.740 7.740 8.010 -0.270 18818 12545 1 22 . 1 1 93 93 LYS N N 93 114.600 114.600 116.726 -2.126 18818 12546 1 22 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.076 -0.306 18818 12547 1 22 . 1 1 93 93 LYS C C 93 177.000 177.000 176.932 0.068 18818 12548 1 22 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.820 -0.320 18818 12549 1 22 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.145 -0.345 18818 12550 1 22 . 1 1 93 93 LYS H H 93 7.200 7.200 7.555 -0.355 18818 12551 1 22 . 1 1 94 94 SER N N 94 113.000 113.000 112.079 0.921 18818 12552 1 22 . 1 1 94 94 SER HA H 94 4.450 4.450 4.533 -0.083 18818 12553 1 22 . 1 1 94 94 SER C C 94 174.500 174.500 174.028 0.472 18818 12554 1 22 . 1 1 94 94 SER CA C 94 58.800 58.800 57.985 0.815 18818 12555 1 22 . 1 1 94 94 SER CB C 94 63.900 63.900 64.577 -0.677 18818 12556 1 22 . 1 1 94 94 SER H H 94 7.530 7.530 7.697 -0.167 18818 12557 1 22 . 1 1 95 95 VAL N N 95 122.100 122.100 120.921 1.179 18818 12558 1 22 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.210 -0.270 18818 12559 1 22 . 1 1 95 95 VAL C C 95 175.400 175.400 173.660 1.740 18818 12560 1 22 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.243 0.957 18818 12561 1 22 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.480 -0.980 18818 12562 1 22 . 1 1 95 95 VAL H H 95 7.440 7.440 7.465 -0.025 18818 12563 1 22 . 1 1 96 96 LYS N N 96 126.300 126.300 127.271 -0.971 18818 12564 1 22 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.576 -0.176 18818 12565 1 22 . 1 1 96 96 LYS C C 96 176.000 176.000 176.060 -0.060 18818 12566 1 22 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.649 0.851 18818 12567 1 22 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.063 -2.563 18818 12568 1 22 . 1 1 96 96 LYS H H 96 8.470 8.470 8.463 0.007 18818 12569 1 22 . 1 1 97 97 LEU N N 97 123.400 123.400 124.223 -0.823 18818 12570 1 22 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.310 0.100 18818 12571 1 22 . 1 1 97 97 LEU C C 97 176.700 176.700 177.001 -0.301 18818 12572 1 22 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.281 -0.881 18818 12573 1 22 . 1 1 97 97 LEU CB C 97 42.300 42.300 39.733 2.567 18818 12574 1 22 . 1 1 97 97 LEU H H 97 8.140 8.140 8.309 -0.169 18818 12575 1 22 . 1 1 98 98 GLU N N 98 121.400 121.400 120.595 0.805 18818 12576 1 22 . 1 1 98 98 GLU HA H 98 4.340 4.340 3.851 0.489 18818 12577 1 22 . 1 1 98 98 GLU C C 98 175.900 175.900 175.626 0.274 18818 12578 1 22 . 1 1 98 98 GLU CA C 98 56.200 56.200 58.127 -1.927 18818 12579 1 22 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.330 0.770 18818 12580 1 22 . 1 1 98 98 GLU H H 98 8.320 8.320 8.505 -0.185 18818 12581 1 22 . 1 1 99 99 ARG N N 99 122.800 122.800 120.165 2.635 18818 12582 1 22 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.281 0.529 18818 12583 1 22 . 1 1 99 99 ARG C C 99 173.900 173.900 175.543 -1.643 18818 12584 1 22 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.069 -1.469 18818 12585 1 22 . 1 1 99 99 ARG CB C 99 29.900 29.900 28.522 1.378 18818 12586 1 22 . 1 1 99 99 ARG H H 99 8.280 8.280 7.704 0.576 18818 12587 1 22 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.337 0.183 18818 12588 1 22 . 1 1 100 100 PRO C C 100 176.700 176.700 176.349 0.351 18818 12589 1 22 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.989 -0.189 18818 12590 1 22 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.295 -0.595 18818 12591 1 22 . 1 1 101 101 VAL N N 101 120.500 120.500 117.283 3.217 18818 12592 1 22 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.346 -0.216 18818 12593 1 22 . 1 1 101 101 VAL C C 101 176.000 176.000 174.944 1.056 18818 12594 1 22 . 1 1 101 101 VAL CA C 101 62.100 62.100 60.675 1.425 18818 12595 1 22 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.036 -1.836 18818 12596 1 22 . 1 1 101 101 VAL H H 101 8.230 8.230 7.922 0.308 18818 12597 1 22 . 1 1 102 102 ARG N N 102 124.600 124.600 124.975 -0.375 18818 12598 1 22 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.671 -0.251 18818 12599 1 22 . 1 1 102 102 ARG C C 102 176.400 176.400 176.123 0.277 18818 12600 1 22 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.682 0.218 18818 12601 1 22 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.835 -1.135 18818 12602 1 22 . 1 1 102 102 ARG H H 102 8.390 8.390 8.599 -0.209 18818 12603 1 22 . 1 1 103 103 GLY N N 103 110.400 110.400 113.348 -2.948 18818 12604 1 22 . 1 1 103 103 GLY C C 103 172.900 172.900 174.152 -1.252 18818 12605 1 22 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.583 -0.583 18818 12606 1 22 . 1 1 103 103 GLY H H 103 8.400 8.400 8.589 -0.189 18818 12607 1 23 . 1 1 5 5 ARG N N 5 124.100 124.100 121.048 3.052 18818 12608 1 23 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.371 -0.321 18818 12609 1 23 . 1 1 5 5 ARG C C 5 173.800 173.800 175.923 -2.123 18818 12610 1 23 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.444 -0.444 18818 12611 1 23 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.171 -0.471 18818 12612 1 23 . 1 1 5 5 ARG H H 5 8.570 8.570 8.774 -0.204 18818 12613 1 23 . 1 1 6 6 SER N N 6 117.500 117.500 114.080 3.420 18818 12614 1 23 . 1 1 6 6 SER HA H 6 4.510 4.510 4.252 0.258 18818 12615 1 23 . 1 1 6 6 SER C C 6 174.100 174.100 174.176 -0.076 18818 12616 1 23 . 1 1 6 6 SER CA C 6 58.000 58.000 58.861 -0.861 18818 12617 1 23 . 1 1 6 6 SER CB C 6 63.700 63.700 61.838 1.862 18818 12618 1 23 . 1 1 6 6 SER H H 6 8.370 8.370 8.409 -0.039 18818 12619 1 23 . 1 1 7 7 ALA N N 7 125.900 125.900 121.083 4.817 18818 12620 1 23 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.165 0.235 18818 12621 1 23 . 1 1 7 7 ALA C C 7 177.200 177.200 178.058 -0.858 18818 12622 1 23 . 1 1 7 7 ALA CA C 7 52.600 52.600 53.140 -0.540 18818 12623 1 23 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.872 0.129 18818 12624 1 23 . 1 1 7 7 ALA H H 7 8.410 8.410 8.332 0.078 18818 12625 1 23 . 1 1 8 8 ASN N N 8 117.400 117.400 117.406 -0.006 18818 12626 1 23 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.416 0.354 18818 12627 1 23 . 1 1 8 8 ASN C C 8 174.900 174.900 176.205 -1.305 18818 12628 1 23 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.331 -3.431 18818 12629 1 23 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.217 0.583 18818 12630 1 23 . 1 1 8 8 ASN H H 8 8.360 8.360 7.745 0.615 18818 12631 1 23 . 1 1 9 9 ALA N N 9 124.400 124.400 119.725 4.675 18818 12632 1 23 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.523 -0.173 18818 12633 1 23 . 1 1 9 9 ALA C C 9 177.800 177.800 178.064 -0.264 18818 12634 1 23 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.288 -0.589 18818 12635 1 23 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.562 -0.662 18818 12636 1 23 . 1 1 9 9 ALA H H 9 8.270 8.270 7.901 0.369 18818 12637 1 23 . 1 1 10 10 GLU N N 10 119.300 119.300 116.825 2.475 18818 12638 1 23 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.078 0.232 18818 12639 1 23 . 1 1 10 10 GLU C C 10 176.400 176.400 177.093 -0.693 18818 12640 1 23 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.747 -0.847 18818 12641 1 23 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.411 0.189 18818 12642 1 23 . 1 1 10 10 GLU H H 10 8.470 8.470 8.419 0.051 18818 12643 1 23 . 1 1 11 11 ASP N N 11 120.600 120.600 118.868 1.732 18818 12644 1 23 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.522 0.088 18818 12645 1 23 . 1 1 11 11 ASP C C 11 176.100 176.100 175.654 0.446 18818 12646 1 23 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.935 -0.635 18818 12647 1 23 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.283 -0.483 18818 12648 1 23 . 1 1 11 11 ASP H H 11 8.200 8.200 7.826 0.374 18818 12649 1 23 . 1 1 12 12 ALA N N 12 123.800 123.800 120.778 3.022 18818 12650 1 23 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.309 -0.219 18818 12651 1 23 . 1 1 12 12 ALA C C 12 177.800 177.800 176.512 1.288 18818 12652 1 23 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.421 -0.921 18818 12653 1 23 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.343 1.457 18818 12654 1 23 . 1 1 12 12 ALA H H 12 8.070 8.070 7.314 0.756 18818 12655 1 23 . 1 1 13 13 GLN N N 13 118.500 118.500 120.481 -1.981 18818 12656 1 23 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.493 -0.223 18818 12657 1 23 . 1 1 13 13 GLN C C 13 175.700 175.700 176.739 -1.039 18818 12658 1 23 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.872 0.028 18818 12659 1 23 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.215 -1.115 18818 12660 1 23 . 1 1 13 13 GLN H H 13 8.230 8.230 8.771 -0.541 18818 12661 1 23 . 1 1 14 14 GLU N N 14 120.600 120.600 119.504 1.096 18818 12662 1 23 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.148 0.152 18818 12663 1 23 . 1 1 14 14 GLU C C 14 175.800 175.800 176.175 -0.375 18818 12664 1 23 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.649 -1.849 18818 12665 1 23 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.849 0.051 18818 12666 1 23 . 1 1 14 14 GLU H H 14 8.100 8.100 8.677 -0.577 18818 12667 1 23 . 1 1 15 15 PHE N N 15 121.100 121.100 118.663 2.437 18818 12668 1 23 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.794 0.086 18818 12669 1 23 . 1 1 15 15 PHE C C 15 176.900 176.900 176.542 0.358 18818 12670 1 23 . 1 1 15 15 PHE CA C 15 55.300 55.300 57.029 -1.729 18818 12671 1 23 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.582 -1.282 18818 12672 1 23 . 1 1 15 15 PHE H H 15 8.030 8.030 7.559 0.471 18818 12673 1 23 . 1 1 16 16 SER N N 16 119.400 119.400 117.907 1.493 18818 12674 1 23 . 1 1 16 16 SER HA H 16 4.850 4.850 4.393 0.457 18818 12675 1 23 . 1 1 16 16 SER C C 16 174.800 174.800 175.343 -0.543 18818 12676 1 23 . 1 1 16 16 SER CA C 16 57.000 57.000 58.553 -1.554 18818 12677 1 23 . 1 1 16 16 SER CB C 16 65.600 65.600 64.326 1.274 18818 12678 1 23 . 1 1 16 16 SER H H 16 9.530 9.530 8.686 0.844 18818 12679 1 23 . 1 1 17 17 ASP N N 17 121.300 121.300 122.831 -1.531 18818 12680 1 23 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.468 0.082 18818 12681 1 23 . 1 1 17 17 ASP C C 17 179.700 179.700 178.216 1.484 18818 12682 1 23 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.533 0.467 18818 12683 1 23 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.469 -0.970 18818 12684 1 23 . 1 1 17 17 ASP H H 17 9.270 9.270 8.904 0.366 18818 12685 1 23 . 1 1 18 18 VAL N N 18 120.600 120.600 120.609 -0.009 18818 12686 1 23 . 1 1 18 18 VAL HA H 18 3.680 3.680 4.005 -0.325 18818 12687 1 23 . 1 1 18 18 VAL C C 18 176.900 176.900 177.458 -0.558 18818 12688 1 23 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.231 1.269 18818 12689 1 23 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.676 0.224 18818 12690 1 23 . 1 1 18 18 VAL H H 18 8.230 8.230 7.832 0.398 18818 12691 1 23 . 1 1 19 19 GLU N N 19 121.000 121.000 119.526 1.474 18818 12692 1 23 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.101 -0.361 18818 12693 1 23 . 1 1 19 19 GLU C C 19 178.600 178.600 178.733 -0.133 18818 12694 1 23 . 1 1 19 19 GLU CA C 19 60.000 60.000 60.123 -0.123 18818 12695 1 23 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.475 -0.775 18818 12696 1 23 . 1 1 19 19 GLU H H 19 8.180 8.180 8.697 -0.517 18818 12697 1 23 . 1 1 20 20 ARG N N 20 118.100 118.100 117.532 0.568 18818 12698 1 23 . 1 1 20 20 ARG HA H 20 4.300 4.300 3.865 0.435 18818 12699 1 23 . 1 1 20 20 ARG C C 20 178.700 178.700 178.231 0.469 18818 12700 1 23 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.967 0.133 18818 12701 1 23 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.819 -0.119 18818 12702 1 23 . 1 1 20 20 ARG H H 20 8.920 8.920 8.431 0.489 18818 12703 1 23 . 1 1 21 21 ALA N N 21 123.800 123.800 123.448 0.352 18818 12704 1 23 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.156 0.264 18818 12705 1 23 . 1 1 21 21 ALA C C 21 179.300 179.300 179.545 -0.245 18818 12706 1 23 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.782 0.418 18818 12707 1 23 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.543 -0.643 18818 12708 1 23 . 1 1 21 21 ALA H H 21 8.060 8.060 7.473 0.587 18818 12709 1 23 . 1 1 22 22 ILE N N 22 118.200 118.200 118.302 -0.102 18818 12710 1 23 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.707 0.013 18818 12711 1 23 . 1 1 22 22 ILE C C 22 177.500 177.500 178.213 -0.713 18818 12712 1 23 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.983 0.017 18818 12713 1 23 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.832 -0.432 18818 12714 1 23 . 1 1 22 22 ILE H H 22 8.010 8.010 8.152 -0.142 18818 12715 1 23 . 1 1 23 23 GLU N N 23 120.100 120.100 118.862 1.238 18818 12716 1 23 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.033 -0.073 18818 12717 1 23 . 1 1 23 23 GLU C C 23 178.000 178.000 178.973 -0.973 18818 12718 1 23 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.216 1.084 18818 12719 1 23 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.130 0.370 18818 12720 1 23 . 1 1 23 23 GLU H H 23 8.450 8.450 7.832 0.618 18818 12721 1 23 . 1 1 24 24 THR N N 24 117.300 117.300 117.124 0.176 18818 12722 1 23 . 1 1 24 24 THR HA H 24 4.010 4.010 4.059 -0.049 18818 12723 1 23 . 1 1 24 24 THR C C 24 177.000 177.000 176.283 0.717 18818 12724 1 23 . 1 1 24 24 THR CA C 24 67.100 67.100 67.017 0.083 18818 12725 1 23 . 1 1 24 24 THR CB C 24 68.200 68.200 68.489 -0.289 18818 12726 1 23 . 1 1 24 24 THR H H 24 8.720 8.720 7.839 0.881 18818 12727 1 23 . 1 1 25 25 LEU N N 25 123.400 123.400 121.386 2.014 18818 12728 1 23 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.210 0.070 18818 12729 1 23 . 1 1 25 25 LEU C C 25 178.200 178.200 178.795 -0.595 18818 12730 1 23 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.791 1.509 18818 12731 1 23 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.449 0.251 18818 12732 1 23 . 1 1 25 25 LEU H H 25 8.150 8.150 7.800 0.350 18818 12733 1 23 . 1 1 26 26 ILE N N 26 119.500 119.500 120.145 -0.645 18818 12734 1 23 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.902 0.098 18818 12735 1 23 . 1 1 26 26 ILE C C 26 177.900 177.900 178.563 -0.663 18818 12736 1 23 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.391 -0.291 18818 12737 1 23 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.588 0.712 18818 12738 1 23 . 1 1 26 26 ILE H H 26 8.510 8.510 8.368 0.142 18818 12739 1 23 . 1 1 27 27 LYS N N 27 120.500 120.500 116.792 3.708 18818 12740 1 23 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.710 0.440 18818 12741 1 23 . 1 1 27 27 LYS C C 27 179.600 179.600 178.998 0.602 18818 12742 1 23 . 1 1 27 27 LYS CA C 27 60.100 60.100 57.970 2.130 18818 12743 1 23 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.320 0.680 18818 12744 1 23 . 1 1 27 27 LYS H H 27 9.000 9.000 7.924 1.076 18818 12745 1 23 . 1 1 28 28 ASN N N 28 117.300 117.300 117.508 -0.208 18818 12746 1 23 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.734 -0.174 18818 12747 1 23 . 1 1 28 28 ASN C C 28 176.000 176.000 176.717 -0.717 18818 12748 1 23 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.561 2.139 18818 12749 1 23 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.961 1.339 18818 12750 1 23 . 1 1 28 28 ASN H H 28 7.990 7.990 7.743 0.247 18818 12751 1 23 . 1 1 29 29 PHE N N 29 119.100 119.100 121.510 -2.410 18818 12752 1 23 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.664 0.246 18818 12753 1 23 . 1 1 29 29 PHE C C 29 176.200 176.200 176.697 -0.497 18818 12754 1 23 . 1 1 29 29 PHE CA C 29 61.200 61.200 60.944 0.256 18818 12755 1 23 . 1 1 29 29 PHE CB C 29 38.600 38.600 39.216 -0.616 18818 12756 1 23 . 1 1 29 29 PHE H H 29 7.990 7.990 8.028 -0.038 18818 12757 1 23 . 1 1 30 30 HIS N N 30 114.700 114.700 116.844 -2.144 18818 12758 1 23 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.268 0.052 18818 12759 1 23 . 1 1 30 30 HIS C C 30 177.400 177.400 176.665 0.735 18818 12760 1 23 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.243 0.257 18818 12761 1 23 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.731 -0.131 18818 12762 1 23 . 1 1 30 30 HIS H H 30 8.180 8.180 7.831 0.349 18818 12763 1 23 . 1 1 31 31 GLN N N 31 118.500 118.500 115.921 2.579 18818 12764 1 23 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.027 0.053 18818 12765 1 23 . 1 1 31 31 GLN C C 31 176.600 176.600 176.834 -0.234 18818 12766 1 23 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.806 -0.006 18818 12767 1 23 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.119 -0.719 18818 12768 1 23 . 1 1 31 31 GLN H H 31 8.280 8.280 8.048 0.232 18818 12769 1 23 . 1 1 32 32 TYR N N 32 115.700 115.700 115.782 -0.082 18818 12770 1 23 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.561 -0.351 18818 12771 1 23 . 1 1 32 32 TYR C C 32 174.800 174.800 176.243 -1.443 18818 12772 1 23 . 1 1 32 32 TYR CA C 32 59.700 59.700 57.896 1.804 18818 12773 1 23 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.126 -1.426 18818 12774 1 23 . 1 1 32 32 TYR H H 32 7.410 7.410 7.790 -0.380 18818 12775 1 23 . 1 1 33 33 SER N N 33 114.000 114.000 117.967 -3.967 18818 12776 1 23 . 1 1 33 33 SER HA H 33 4.530 4.530 4.317 0.213 18818 12777 1 23 . 1 1 33 33 SER C C 33 175.000 175.000 174.401 0.599 18818 12778 1 23 . 1 1 33 33 SER CA C 33 57.200 57.200 58.282 -1.082 18818 12779 1 23 . 1 1 33 33 SER CB C 33 63.200 63.200 61.187 2.013 18818 12780 1 23 . 1 1 33 33 SER H H 33 7.260 7.260 8.070 -0.810 18818 12781 1 23 . 1 1 34 34 VAL N N 34 126.600 126.600 121.341 5.259 18818 12782 1 23 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.900 0.110 18818 12783 1 23 . 1 1 34 34 VAL C C 34 177.800 177.800 176.831 0.969 18818 12784 1 23 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.132 0.268 18818 12785 1 23 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.893 0.207 18818 12786 1 23 . 1 1 34 34 VAL H H 34 8.490 8.490 7.925 0.565 18818 12787 1 23 . 1 1 35 35 GLU N N 35 122.100 122.100 120.175 1.925 18818 12788 1 23 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.271 -0.021 18818 12789 1 23 . 1 1 35 35 GLU C C 35 177.800 177.800 177.338 0.462 18818 12790 1 23 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.431 0.069 18818 12791 1 23 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.348 -0.548 18818 12792 1 23 . 1 1 35 35 GLU H H 35 8.980 8.980 8.197 0.783 18818 12793 1 23 . 1 1 36 36 GLY N N 36 108.500 108.500 107.442 1.058 18818 12794 1 23 . 1 1 36 36 GLY C C 36 175.000 175.000 174.640 0.360 18818 12795 1 23 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.241 1.059 18818 12796 1 23 . 1 1 36 36 GLY H H 36 8.490 8.490 7.609 0.881 18818 12797 1 23 . 1 1 37 37 GLY N N 37 108.700 108.700 106.332 2.368 18818 12798 1 23 . 1 1 37 37 GLY C C 37 174.100 174.100 175.164 -1.064 18818 12799 1 23 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.385 1.415 18818 12800 1 23 . 1 1 37 37 GLY H H 37 8.140 8.140 8.044 0.096 18818 12801 1 23 . 1 1 38 38 LYS N N 38 118.000 118.000 121.987 -3.987 18818 12802 1 23 . 1 1 38 38 LYS HA H 38 4.470 4.470 4.280 0.190 18818 12803 1 23 . 1 1 38 38 LYS C C 38 176.000 176.000 178.090 -2.090 18818 12804 1 23 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.317 -2.217 18818 12805 1 23 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.738 -0.038 18818 12806 1 23 . 1 1 38 38 LYS H H 38 8.050 8.050 8.752 -0.702 18818 12807 1 23 . 1 1 39 39 GLU N N 39 118.100 118.100 116.038 2.062 18818 12808 1 23 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.537 0.023 18818 12809 1 23 . 1 1 39 39 GLU C C 39 175.600 175.600 175.538 0.062 18818 12810 1 23 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.442 0.358 18818 12811 1 23 . 1 1 39 39 GLU CB C 39 30.200 30.200 29.395 0.805 18818 12812 1 23 . 1 1 39 39 GLU H H 39 8.630 8.630 8.490 0.140 18818 12813 1 23 . 1 1 40 40 THR N N 40 108.100 108.100 108.183 -0.083 18818 12814 1 23 . 1 1 40 40 THR HA H 40 5.160 5.160 4.842 0.318 18818 12815 1 23 . 1 1 40 40 THR C C 40 173.400 173.400 172.422 0.978 18818 12816 1 23 . 1 1 40 40 THR CA C 40 59.300 59.300 59.612 -0.312 18818 12817 1 23 . 1 1 40 40 THR CB C 40 72.100 72.100 71.338 0.762 18818 12818 1 23 . 1 1 40 40 THR H H 40 7.490 7.490 7.939 -0.449 18818 12819 1 23 . 1 1 41 41 LEU N N 41 120.700 120.700 119.500 1.200 18818 12820 1 23 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.627 0.413 18818 12821 1 23 . 1 1 41 41 LEU C C 41 177.000 177.000 175.214 1.786 18818 12822 1 23 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.460 -0.160 18818 12823 1 23 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.339 -1.039 18818 12824 1 23 . 1 1 41 41 LEU H H 41 8.660 8.660 8.426 0.234 18818 12825 1 23 . 1 1 42 42 THR N N 42 113.500 113.500 110.875 2.625 18818 12826 1 23 . 1 1 42 42 THR HA H 42 5.000 5.000 4.957 0.043 18818 12827 1 23 . 1 1 42 42 THR C C 42 174.100 174.100 173.215 0.885 18818 12828 1 23 . 1 1 42 42 THR CA C 42 59.800 59.800 58.973 0.827 18818 12829 1 23 . 1 1 42 42 THR CB C 42 68.100 68.100 70.086 -1.986 18818 12830 1 23 . 1 1 42 42 THR H H 42 9.130 9.130 8.114 1.016 18818 12831 1 23 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.379 -0.229 18818 12832 1 23 . 1 1 43 43 PRO C C 43 178.600 178.600 178.551 0.049 18818 12833 1 23 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.373 0.827 18818 12834 1 23 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.510 0.190 18818 12835 1 23 . 1 1 44 44 SER N N 44 111.600 111.600 112.272 -0.672 18818 12836 1 23 . 1 1 44 44 SER HA H 44 4.170 4.170 4.235 -0.065 18818 12837 1 23 . 1 1 44 44 SER C C 44 176.200 176.200 176.390 -0.190 18818 12838 1 23 . 1 1 44 44 SER CA C 44 61.500 61.500 61.091 0.409 18818 12839 1 23 . 1 1 44 44 SER CB C 44 62.200 62.200 62.582 -0.382 18818 12840 1 23 . 1 1 44 44 SER H H 44 8.090 8.090 8.641 -0.551 18818 12841 1 23 . 1 1 45 45 GLU N N 45 123.900 123.900 122.135 1.765 18818 12842 1 23 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.312 -0.052 18818 12843 1 23 . 1 1 45 45 GLU C C 45 179.000 179.000 178.288 0.712 18818 12844 1 23 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.794 1.306 18818 12845 1 23 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.704 -0.004 18818 12846 1 23 . 1 1 45 45 GLU H H 45 7.700 7.700 7.620 0.080 18818 12847 1 23 . 1 1 46 46 LEU N N 46 118.900 118.900 122.847 -3.947 18818 12848 1 23 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.876 0.204 18818 12849 1 23 . 1 1 46 46 LEU C C 46 177.600 177.600 178.755 -1.155 18818 12850 1 23 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.438 -1.138 18818 12851 1 23 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.852 -0.952 18818 12852 1 23 . 1 1 46 46 LEU H H 46 8.400 8.400 8.507 -0.107 18818 12853 1 23 . 1 1 47 47 ARG N N 47 119.300 119.300 117.550 1.750 18818 12854 1 23 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.878 -0.108 18818 12855 1 23 . 1 1 47 47 ARG C C 47 178.900 178.900 178.598 0.302 18818 12856 1 23 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.821 0.179 18818 12857 1 23 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.852 -0.852 18818 12858 1 23 . 1 1 47 47 ARG H H 47 8.260 8.260 8.047 0.213 18818 12859 1 23 . 1 1 48 48 ASP N N 48 122.300 122.300 119.264 3.036 18818 12860 1 23 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.517 -0.087 18818 12861 1 23 . 1 1 48 48 ASP C C 48 176.700 176.700 178.355 -1.655 18818 12862 1 23 . 1 1 48 48 ASP CA C 48 57.500 57.500 56.992 0.508 18818 12863 1 23 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.113 -1.713 18818 12864 1 23 . 1 1 48 48 ASP H H 48 8.160 8.160 7.566 0.594 18818 12865 1 23 . 1 1 49 49 LEU N N 49 122.600 122.600 117.757 4.843 18818 12866 1 23 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.987 -0.817 18818 12867 1 23 . 1 1 49 49 LEU C C 49 179.100 179.100 178.043 1.057 18818 12868 1 23 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.109 1.891 18818 12869 1 23 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.096 0.204 18818 12870 1 23 . 1 1 49 49 LEU H H 49 7.980 7.980 7.975 0.005 18818 12871 1 23 . 1 1 50 50 VAL N N 50 118.200 118.200 120.569 -2.369 18818 12872 1 23 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.485 0.065 18818 12873 1 23 . 1 1 50 50 VAL C C 50 178.800 178.800 177.862 0.938 18818 12874 1 23 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.297 -0.897 18818 12875 1 23 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.382 0.118 18818 12876 1 23 . 1 1 50 50 VAL H H 50 8.390 8.390 8.201 0.189 18818 12877 1 23 . 1 1 51 51 THR N N 51 115.000 115.000 112.108 2.892 18818 12878 1 23 . 1 1 51 51 THR HA H 51 3.990 3.990 4.031 -0.041 18818 12879 1 23 . 1 1 51 51 THR C C 51 176.000 176.000 175.591 0.409 18818 12880 1 23 . 1 1 51 51 THR CA C 51 65.800 65.800 65.179 0.621 18818 12881 1 23 . 1 1 51 51 THR CB C 51 68.900 68.900 68.559 0.341 18818 12882 1 23 . 1 1 51 51 THR H H 51 8.480 8.480 7.612 0.868 18818 12883 1 23 . 1 1 52 52 GLN N N 52 116.400 116.400 118.590 -2.190 18818 12884 1 23 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.386 -0.136 18818 12885 1 23 . 1 1 52 52 GLN C C 52 178.300 178.300 177.090 1.210 18818 12886 1 23 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.492 0.307 18818 12887 1 23 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.404 -0.904 18818 12888 1 23 . 1 1 52 52 GLN H H 52 8.180 8.180 7.462 0.718 18818 12889 1 23 . 1 1 53 53 GLN N N 53 112.100 112.100 117.948 -5.848 18818 12890 1 23 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.460 0.390 18818 12891 1 23 . 1 1 53 53 GLN C C 53 176.900 176.900 176.639 0.261 18818 12892 1 23 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.832 -1.832 18818 12893 1 23 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.410 -2.010 18818 12894 1 23 . 1 1 53 53 GLN H H 53 8.490 8.490 8.041 0.449 18818 12895 1 23 . 1 1 54 54 LEU N N 54 119.800 119.800 119.333 0.467 18818 12896 1 23 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.888 0.362 18818 12897 1 23 . 1 1 54 54 LEU C C 54 176.900 176.900 174.683 2.217 18818 12898 1 23 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.468 1.431 18818 12899 1 23 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.862 0.238 18818 12900 1 23 . 1 1 54 54 LEU H H 54 7.920 7.920 8.241 -0.321 18818 12901 1 23 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.291 0.179 18818 12902 1 23 . 1 1 55 55 PRO C C 55 178.300 178.300 177.169 1.131 18818 12903 1 23 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.813 0.487 18818 12904 1 23 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.776 -1.076 18818 12905 1 23 . 1 1 56 56 HIS N N 56 116.500 116.500 116.505 -0.005 18818 12906 1 23 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.512 0.078 18818 12907 1 23 . 1 1 56 56 HIS C C 56 176.300 176.300 176.356 -0.056 18818 12908 1 23 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.289 -0.490 18818 12909 1 23 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.372 -1.073 18818 12910 1 23 . 1 1 56 56 HIS H H 56 9.770 9.770 8.271 1.499 18818 12911 1 23 . 1 1 57 57 LEU N N 57 116.600 116.600 118.646 -2.046 18818 12912 1 23 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.285 0.045 18818 12913 1 23 . 1 1 57 57 LEU C C 57 176.400 176.400 176.215 0.185 18818 12914 1 23 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.287 -0.887 18818 12915 1 23 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.290 0.210 18818 12916 1 23 . 1 1 57 57 LEU H H 57 7.830 7.830 7.909 -0.079 18818 12917 1 23 . 1 1 58 58 MET N N 58 118.000 118.000 116.483 1.517 18818 12918 1 23 . 1 1 58 58 MET HA H 58 4.540 4.540 4.842 -0.302 18818 12919 1 23 . 1 1 58 58 MET C C 58 171.600 171.600 173.978 -2.378 18818 12920 1 23 . 1 1 58 58 MET CA C 58 53.500 53.500 51.925 1.575 18818 12921 1 23 . 1 1 58 58 MET CB C 58 32.700 32.700 31.709 0.992 18818 12922 1 23 . 1 1 58 58 MET H H 58 7.970 7.970 7.972 -0.002 18818 12923 1 23 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.569 -0.119 18818 12924 1 23 . 1 1 59 59 PRO C C 59 177.400 177.400 178.244 -0.844 18818 12925 1 23 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.601 0.499 18818 12926 1 23 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.388 -0.488 18818 12927 1 23 . 1 1 60 60 SER N N 60 114.900 114.900 117.246 -2.346 18818 12928 1 23 . 1 1 60 60 SER HA H 60 4.340 4.340 4.047 0.293 18818 12929 1 23 . 1 1 60 60 SER C C 60 174.700 174.700 176.270 -1.570 18818 12930 1 23 . 1 1 60 60 SER CA C 60 59.100 59.100 61.889 -2.789 18818 12931 1 23 . 1 1 60 60 SER CB C 60 63.200 63.200 63.140 0.060 18818 12932 1 23 . 1 1 60 60 SER H H 60 8.360 8.360 8.962 -0.602 18818 12933 1 23 . 1 1 61 61 ASN N N 61 120.800 120.800 118.006 2.794 18818 12934 1 23 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.632 0.178 18818 12935 1 23 . 1 1 61 61 ASN C C 61 175.500 175.500 175.941 -0.441 18818 12936 1 23 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.626 -1.626 18818 12937 1 23 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.855 0.045 18818 12938 1 23 . 1 1 61 61 ASN H H 61 7.990 7.990 8.221 -0.231 18818 12939 1 23 . 1 1 62 62 CYS N N 62 117.800 117.800 117.170 0.630 18818 12940 1 23 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.391 0.199 18818 12941 1 23 . 1 1 62 62 CYS C C 62 175.300 175.300 175.329 -0.029 18818 12942 1 23 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.485 -1.285 18818 12943 1 23 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.406 -1.006 18818 12944 1 23 . 1 1 62 62 CYS H H 62 8.260 8.260 7.680 0.580 18818 12945 1 23 . 1 1 63 63 GLY N N 63 111.300 111.300 110.083 1.217 18818 12946 1 23 . 1 1 63 63 GLY C C 63 175.600 175.600 175.765 -0.165 18818 12947 1 23 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.279 1.021 18818 12948 1 23 . 1 1 63 63 GLY H H 63 8.520 8.520 7.757 0.763 18818 12949 1 23 . 1 1 64 64 LEU N N 64 122.400 122.400 121.282 1.118 18818 12950 1 23 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.118 -0.068 18818 12951 1 23 . 1 1 64 64 LEU C C 64 177.900 177.900 177.913 -0.013 18818 12952 1 23 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.613 0.987 18818 12953 1 23 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.188 0.812 18818 12954 1 23 . 1 1 64 64 LEU H H 64 7.910 7.910 8.174 -0.264 18818 12955 1 23 . 1 1 65 65 GLU N N 65 117.900 117.900 119.055 -1.155 18818 12956 1 23 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.882 0.028 18818 12957 1 23 . 1 1 65 65 GLU C C 65 179.100 179.100 177.627 1.473 18818 12958 1 23 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.625 1.375 18818 12959 1 23 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.296 0.104 18818 12960 1 23 . 1 1 65 65 GLU H H 65 8.660 8.660 8.408 0.252 18818 12961 1 23 . 1 1 66 66 GLU N N 66 120.000 120.000 120.440 -0.440 18818 12962 1 23 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.056 0.064 18818 12963 1 23 . 1 1 66 66 GLU C C 66 178.200 178.200 178.705 -0.505 18818 12964 1 23 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.956 0.144 18818 12965 1 23 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.500 -0.400 18818 12966 1 23 . 1 1 66 66 GLU H H 66 8.220 8.220 8.236 -0.016 18818 12967 1 23 . 1 1 67 67 LYS N N 67 119.300 119.300 118.378 0.922 18818 12968 1 23 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.095 0.045 18818 12969 1 23 . 1 1 67 67 LYS C C 67 179.400 179.400 178.730 0.670 18818 12970 1 23 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.465 0.435 18818 12971 1 23 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.162 -0.062 18818 12972 1 23 . 1 1 67 67 LYS H H 67 7.780 7.780 7.569 0.211 18818 12973 1 23 . 1 1 68 68 ILE N N 68 118.400 118.400 120.072 -1.672 18818 12974 1 23 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.750 -0.030 18818 12975 1 23 . 1 1 68 68 ILE C C 68 177.800 177.800 177.816 -0.016 18818 12976 1 23 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.894 -0.394 18818 12977 1 23 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.582 -0.282 18818 12978 1 23 . 1 1 68 68 ILE H H 68 8.230 8.230 7.389 0.841 18818 12979 1 23 . 1 1 69 69 ALA N N 69 122.900 122.900 121.109 1.791 18818 12980 1 23 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.000 0.220 18818 12981 1 23 . 1 1 69 69 ALA C C 69 179.600 179.600 179.863 -0.263 18818 12982 1 23 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.144 -0.744 18818 12983 1 23 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.093 -0.193 18818 12984 1 23 . 1 1 69 69 ALA H H 69 8.070 8.070 8.427 -0.357 18818 12985 1 23 . 1 1 70 70 ASN N N 70 115.400 115.400 116.487 -1.087 18818 12986 1 23 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.637 0.233 18818 12987 1 23 . 1 1 70 70 ASN C C 70 176.500 176.500 177.178 -0.678 18818 12988 1 23 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.000 -0.700 18818 12989 1 23 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.286 -0.586 18818 12990 1 23 . 1 1 70 70 ASN H H 70 7.880 7.880 7.736 0.144 18818 12991 1 23 . 1 1 71 71 LEU N N 71 120.600 120.600 116.980 3.620 18818 12992 1 23 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.364 -0.034 18818 12993 1 23 . 1 1 71 71 LEU C C 71 178.300 178.300 177.208 1.092 18818 12994 1 23 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.235 1.065 18818 12995 1 23 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.157 0.143 18818 12996 1 23 . 1 1 71 71 LEU H H 71 7.820 7.820 7.894 -0.074 18818 12997 1 23 . 1 1 72 72 GLY N N 72 106.800 106.800 107.057 -0.257 18818 12998 1 23 . 1 1 72 72 GLY C C 72 174.400 174.400 174.484 -0.084 18818 12999 1 23 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.514 1.186 18818 13000 1 23 . 1 1 72 72 GLY H H 72 8.240 8.240 7.921 0.319 18818 13001 1 23 . 1 1 73 73 SER N N 73 115.600 115.600 117.903 -2.303 18818 13002 1 23 . 1 1 73 73 SER HA H 73 4.570 4.570 4.351 0.219 18818 13003 1 23 . 1 1 73 73 SER C C 73 175.000 175.000 174.878 0.122 18818 13004 1 23 . 1 1 73 73 SER CA C 73 58.900 58.900 59.770 -0.870 18818 13005 1 23 . 1 1 73 73 SER CB C 73 63.600 63.600 63.470 0.130 18818 13006 1 23 . 1 1 73 73 SER H H 73 8.220 8.220 8.777 -0.557 18818 13007 1 23 . 1 1 74 74 CYS N N 74 119.300 119.300 119.601 -0.301 18818 13008 1 23 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.649 0.001 18818 13009 1 23 . 1 1 74 74 CYS C C 74 174.500 174.500 173.027 1.473 18818 13010 1 23 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.784 -0.084 18818 13011 1 23 . 1 1 74 74 CYS CB C 74 27.700 27.700 30.200 -2.500 18818 13012 1 23 . 1 1 74 74 CYS H H 74 8.260 8.260 7.559 0.701 18818 13013 1 23 . 1 1 75 75 ASN N N 75 120.000 120.000 122.889 -2.889 18818 13014 1 23 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.934 -0.094 18818 13015 1 23 . 1 1 75 75 ASN C C 75 174.700 174.700 174.589 0.111 18818 13016 1 23 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.392 0.408 18818 13017 1 23 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.769 -0.869 18818 13018 1 23 . 1 1 75 75 ASN H H 75 8.430 8.430 8.366 0.064 18818 13019 1 23 . 1 1 76 76 ASP N N 76 119.200 119.200 122.811 -3.611 18818 13020 1 23 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.717 -0.047 18818 13021 1 23 . 1 1 76 76 ASP C C 76 175.500 175.500 177.293 -1.793 18818 13022 1 23 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.564 -0.164 18818 13023 1 23 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.556 -0.956 18818 13024 1 23 . 1 1 76 76 ASP H H 76 8.300 8.300 8.659 -0.359 18818 13025 1 23 . 1 1 77 77 SER N N 77 112.800 112.800 115.511 -2.711 18818 13026 1 23 . 1 1 77 77 SER HA H 77 4.260 4.260 4.441 -0.181 18818 13027 1 23 . 1 1 77 77 SER C C 77 173.300 173.300 174.615 -1.315 18818 13028 1 23 . 1 1 77 77 SER CA C 77 59.000 59.000 58.628 0.372 18818 13029 1 23 . 1 1 77 77 SER CB C 77 63.100 63.100 64.386 -1.286 18818 13030 1 23 . 1 1 77 77 SER H H 77 8.220 8.220 8.479 -0.259 18818 13031 1 23 . 1 1 78 78 LYS N N 78 120.600 120.600 119.860 0.740 18818 13032 1 23 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.909 0.651 18818 13033 1 23 . 1 1 78 78 LYS C C 78 175.300 175.300 175.820 -0.520 18818 13034 1 23 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.481 -1.881 18818 13035 1 23 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.690 1.610 18818 13036 1 23 . 1 1 78 78 LYS H H 78 7.930 7.930 8.133 -0.203 18818 13037 1 23 . 1 1 79 79 LEU N N 79 123.700 123.700 121.897 1.803 18818 13038 1 23 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.332 0.448 18818 13039 1 23 . 1 1 79 79 LEU C C 79 176.100 176.100 177.321 -1.221 18818 13040 1 23 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.332 -1.132 18818 13041 1 23 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.728 -1.728 18818 13042 1 23 . 1 1 79 79 LEU H H 79 9.020 9.020 8.631 0.389 18818 13043 1 23 . 1 1 80 80 GLU N N 80 121.200 121.200 117.068 4.132 18818 13044 1 23 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.889 0.011 18818 13045 1 23 . 1 1 80 80 GLU C C 80 177.100 177.100 176.623 0.477 18818 13046 1 23 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.232 0.968 18818 13047 1 23 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.530 -0.930 18818 13048 1 23 . 1 1 80 80 GLU H H 80 8.630 8.630 8.123 0.507 18818 13049 1 23 . 1 1 81 81 PHE N N 81 123.500 123.500 122.548 0.952 18818 13050 1 23 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.543 -0.013 18818 13051 1 23 . 1 1 81 81 PHE C C 81 177.000 177.000 176.485 0.515 18818 13052 1 23 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.008 0.292 18818 13053 1 23 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.103 -0.603 18818 13054 1 23 . 1 1 81 81 PHE H H 81 9.360 9.360 8.927 0.433 18818 13055 1 23 . 1 1 82 82 ARG N N 82 116.500 116.500 120.009 -3.509 18818 13056 1 23 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.897 0.143 18818 13057 1 23 . 1 1 82 82 ARG C C 82 178.000 178.000 177.381 0.619 18818 13058 1 23 . 1 1 82 82 ARG CA C 82 59.200 59.200 60.149 -0.949 18818 13059 1 23 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.705 -0.505 18818 13060 1 23 . 1 1 82 82 ARG H H 82 8.940 8.940 8.926 0.014 18818 13061 1 23 . 1 1 83 83 SER N N 83 115.700 115.700 113.305 2.395 18818 13062 1 23 . 1 1 83 83 SER HA H 83 4.510 4.510 4.260 0.250 18818 13063 1 23 . 1 1 83 83 SER C C 83 175.800 175.800 175.819 -0.019 18818 13064 1 23 . 1 1 83 83 SER CA C 83 61.700 61.700 60.861 0.839 18818 13065 1 23 . 1 1 83 83 SER CB C 83 62.700 62.700 62.984 -0.284 18818 13066 1 23 . 1 1 83 83 SER H H 83 7.610 7.610 7.706 -0.096 18818 13067 1 23 . 1 1 84 84 PHE N N 84 122.200 122.200 121.785 0.415 18818 13068 1 23 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.464 -0.244 18818 13069 1 23 . 1 1 84 84 PHE C C 84 175.000 175.000 176.073 -1.073 18818 13070 1 23 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.123 -0.123 18818 13071 1 23 . 1 1 84 84 PHE CB C 84 39.200 39.200 40.100 -0.900 18818 13072 1 23 . 1 1 84 84 PHE H H 84 7.490 7.490 7.547 -0.057 18818 13073 1 23 . 1 1 85 85 TRP N N 85 120.700 120.700 120.974 -0.274 18818 13074 1 23 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.155 -0.395 18818 13075 1 23 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.662 -0.862 18818 13076 1 23 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.670 -0.470 18818 13077 1 23 . 1 1 85 85 TRP H H 85 8.770 8.770 8.244 0.526 18818 13078 1 23 . 1 1 86 86 GLU N N 86 119.100 119.100 117.604 1.496 18818 13079 1 23 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.828 0.252 18818 13080 1 23 . 1 1 86 86 GLU C C 86 179.100 179.100 178.921 0.179 18818 13081 1 23 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.410 -0.110 18818 13082 1 23 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.931 0.569 18818 13083 1 23 . 1 1 86 86 GLU H H 86 8.150 8.150 8.565 -0.415 18818 13084 1 23 . 1 1 87 87 LEU N N 87 120.800 120.800 119.462 1.338 18818 13085 1 23 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.051 -0.001 18818 13086 1 23 . 1 1 87 87 LEU C C 87 178.900 178.900 178.233 0.667 18818 13087 1 23 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.469 0.431 18818 13088 1 23 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.847 -0.547 18818 13089 1 23 . 1 1 87 87 LEU H H 87 7.600 7.600 7.358 0.242 18818 13090 1 23 . 1 1 88 88 ILE N N 88 115.200 115.200 119.091 -3.891 18818 13091 1 23 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.453 0.127 18818 13092 1 23 . 1 1 88 88 ILE C C 88 177.300 177.300 177.491 -0.191 18818 13093 1 23 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.807 -1.807 18818 13094 1 23 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.877 -1.277 18818 13095 1 23 . 1 1 88 88 ILE H H 88 7.960 7.960 7.189 0.771 18818 13096 1 23 . 1 1 89 89 GLY N N 89 108.100 108.100 107.683 0.417 18818 13097 1 23 . 1 1 89 89 GLY C C 89 175.700 175.700 175.122 0.578 18818 13098 1 23 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.856 -1.456 18818 13099 1 23 . 1 1 89 89 GLY H H 89 7.620 7.620 7.493 0.127 18818 13100 1 23 . 1 1 90 90 GLU N N 90 120.000 120.000 120.100 -0.100 18818 13101 1 23 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.198 -0.238 18818 13102 1 23 . 1 1 90 90 GLU C C 90 179.100 179.100 178.289 0.811 18818 13103 1 23 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.658 0.542 18818 13104 1 23 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.989 -1.189 18818 13105 1 23 . 1 1 90 90 GLU H H 90 7.410 7.410 7.479 -0.069 18818 13106 1 23 . 1 1 91 91 ALA N N 91 122.400 122.400 122.533 -0.133 18818 13107 1 23 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.950 0.070 18818 13108 1 23 . 1 1 91 91 ALA C C 91 178.700 178.700 179.108 -0.408 18818 13109 1 23 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.832 -0.832 18818 13110 1 23 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.354 -0.354 18818 13111 1 23 . 1 1 91 91 ALA H H 91 7.610 7.610 7.863 -0.253 18818 13112 1 23 . 1 1 92 92 ALA N N 92 118.000 118.000 116.014 1.986 18818 13113 1 23 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.419 -0.749 18818 13114 1 23 . 1 1 92 92 ALA C C 92 177.900 177.900 177.699 0.201 18818 13115 1 23 . 1 1 92 92 ALA CA C 92 53.900 53.900 52.835 1.065 18818 13116 1 23 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.402 -0.502 18818 13117 1 23 . 1 1 92 92 ALA H H 92 7.740 7.740 7.855 -0.115 18818 13118 1 23 . 1 1 93 93 LYS N N 93 114.600 114.600 117.140 -2.540 18818 13119 1 23 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.341 -0.571 18818 13120 1 23 . 1 1 93 93 LYS C C 93 177.000 177.000 177.709 -0.709 18818 13121 1 23 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.111 0.389 18818 13122 1 23 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.456 -0.656 18818 13123 1 23 . 1 1 93 93 LYS H H 93 7.200 7.200 7.676 -0.476 18818 13124 1 23 . 1 1 94 94 SER N N 94 113.000 113.000 113.730 -0.730 18818 13125 1 23 . 1 1 94 94 SER HA H 94 4.450 4.450 4.396 0.054 18818 13126 1 23 . 1 1 94 94 SER C C 94 174.500 174.500 175.005 -0.505 18818 13127 1 23 . 1 1 94 94 SER CA C 94 58.800 58.800 59.442 -0.642 18818 13128 1 23 . 1 1 94 94 SER CB C 94 63.900 63.900 64.187 -0.287 18818 13129 1 23 . 1 1 94 94 SER H H 94 7.530 7.530 7.716 -0.186 18818 13130 1 23 . 1 1 95 95 VAL N N 95 122.100 122.100 120.487 1.613 18818 13131 1 23 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.209 -0.269 18818 13132 1 23 . 1 1 95 95 VAL C C 95 175.400 175.400 173.425 1.975 18818 13133 1 23 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.796 1.404 18818 13134 1 23 . 1 1 95 95 VAL CB C 95 31.500 31.500 34.060 -2.560 18818 13135 1 23 . 1 1 95 95 VAL H H 95 7.440 7.440 7.519 -0.079 18818 13136 1 23 . 1 1 96 96 LYS N N 96 126.300 126.300 125.441 0.859 18818 13137 1 23 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.623 -0.223 18818 13138 1 23 . 1 1 96 96 LYS C C 96 176.000 176.000 175.309 0.691 18818 13139 1 23 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.904 0.596 18818 13140 1 23 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.255 -2.755 18818 13141 1 23 . 1 1 96 96 LYS H H 96 8.470 8.470 8.205 0.265 18818 13142 1 23 . 1 1 97 97 LEU N N 97 123.400 123.400 123.395 0.005 18818 13143 1 23 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.273 0.137 18818 13144 1 23 . 1 1 97 97 LEU C C 97 176.700 176.700 176.912 -0.212 18818 13145 1 23 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.373 -0.973 18818 13146 1 23 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.346 -0.046 18818 13147 1 23 . 1 1 97 97 LEU H H 97 8.140 8.140 8.559 -0.419 18818 13148 1 23 . 1 1 98 98 GLU N N 98 121.400 121.400 124.216 -2.816 18818 13149 1 23 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.356 -0.016 18818 13150 1 23 . 1 1 98 98 GLU C C 98 175.900 175.900 175.714 0.186 18818 13151 1 23 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.546 -0.346 18818 13152 1 23 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.406 -0.306 18818 13153 1 23 . 1 1 98 98 GLU H H 98 8.320 8.320 8.522 -0.202 18818 13154 1 23 . 1 1 99 99 ARG N N 99 122.800 122.800 124.447 -1.647 18818 13155 1 23 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.719 0.091 18818 13156 1 23 . 1 1 99 99 ARG C C 99 173.900 173.900 175.864 -1.964 18818 13157 1 23 . 1 1 99 99 ARG CA C 99 53.600 53.600 52.764 0.836 18818 13158 1 23 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.451 0.449 18818 13159 1 23 . 1 1 99 99 ARG H H 99 8.280 8.280 8.537 -0.257 18818 13160 1 23 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.394 0.126 18818 13161 1 23 . 1 1 100 100 PRO C C 100 176.700 176.700 176.575 0.125 18818 13162 1 23 . 1 1 100 100 PRO CA C 100 62.800 62.800 64.555 -1.755 18818 13163 1 23 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.990 -0.290 18818 13164 1 23 . 1 1 101 101 VAL N N 101 120.500 120.500 114.737 5.763 18818 13165 1 23 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.211 -0.081 18818 13166 1 23 . 1 1 101 101 VAL C C 101 176.000 176.000 175.083 0.917 18818 13167 1 23 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.346 0.753 18818 13168 1 23 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.133 0.068 18818 13169 1 23 . 1 1 101 101 VAL H H 101 8.230 8.230 7.808 0.422 18818 13170 1 23 . 1 1 102 102 ARG N N 102 124.600 124.600 119.124 5.476 18818 13171 1 23 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.003 0.417 18818 13172 1 23 . 1 1 102 102 ARG C C 102 176.400 176.400 175.753 0.647 18818 13173 1 23 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.740 -0.841 18818 13174 1 23 . 1 1 102 102 ARG CB C 102 30.700 30.700 28.863 1.837 18818 13175 1 23 . 1 1 102 102 ARG H H 102 8.390 8.390 8.337 0.053 18818 13176 1 23 . 1 1 103 103 GLY N N 103 110.400 110.400 106.217 4.183 18818 13177 1 23 . 1 1 103 103 GLY C C 103 172.900 172.900 172.423 0.477 18818 13178 1 23 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.584 0.416 18818 13179 1 23 . 1 1 103 103 GLY H H 103 8.400 8.400 7.943 0.457 18818 13180 1 24 . 1 1 5 5 ARG N N 5 124.100 124.100 123.246 0.854 18818 13181 1 24 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.294 -0.244 18818 13182 1 24 . 1 1 5 5 ARG C C 5 173.800 173.800 176.174 -2.374 18818 13183 1 24 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.119 -0.119 18818 13184 1 24 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.763 -0.063 18818 13185 1 24 . 1 1 5 5 ARG H H 5 8.570 8.570 8.244 0.326 18818 13186 1 24 . 1 1 6 6 SER N N 6 117.500 117.500 118.206 -0.706 18818 13187 1 24 . 1 1 6 6 SER HA H 6 4.510 4.510 4.554 -0.044 18818 13188 1 24 . 1 1 6 6 SER C C 6 174.100 174.100 175.291 -1.191 18818 13189 1 24 . 1 1 6 6 SER CA C 6 58.000 58.000 57.991 0.009 18818 13190 1 24 . 1 1 6 6 SER CB C 6 63.700 63.700 64.192 -0.492 18818 13191 1 24 . 1 1 6 6 SER H H 6 8.370 8.370 8.443 -0.073 18818 13192 1 24 . 1 1 7 7 ALA N N 7 125.900 125.900 126.097 -0.197 18818 13193 1 24 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.300 0.100 18818 13194 1 24 . 1 1 7 7 ALA C C 7 177.200 177.200 177.853 -0.653 18818 13195 1 24 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.803 -0.203 18818 13196 1 24 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.200 -0.200 18818 13197 1 24 . 1 1 7 7 ALA H H 7 8.410 8.410 8.662 -0.252 18818 13198 1 24 . 1 1 8 8 ASN N N 8 117.400 117.400 116.465 0.935 18818 13199 1 24 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.456 0.314 18818 13200 1 24 . 1 1 8 8 ASN C C 8 174.900 174.900 175.472 -0.572 18818 13201 1 24 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.913 -1.014 18818 13202 1 24 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.869 -0.069 18818 13203 1 24 . 1 1 8 8 ASN H H 8 8.360 8.360 7.848 0.512 18818 13204 1 24 . 1 1 9 9 ALA N N 9 124.400 124.400 119.446 4.954 18818 13205 1 24 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.220 0.130 18818 13206 1 24 . 1 1 9 9 ALA C C 9 177.800 177.800 177.221 0.579 18818 13207 1 24 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.714 -1.014 18818 13208 1 24 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.250 0.650 18818 13209 1 24 . 1 1 9 9 ALA H H 9 8.270 8.270 8.734 -0.464 18818 13210 1 24 . 1 1 10 10 GLU N N 10 119.300 119.300 117.117 2.183 18818 13211 1 24 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.362 -0.052 18818 13212 1 24 . 1 1 10 10 GLU C C 10 176.400 176.400 177.179 -0.779 18818 13213 1 24 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.747 -0.847 18818 13214 1 24 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.069 -0.469 18818 13215 1 24 . 1 1 10 10 GLU H H 10 8.470 8.470 8.433 0.037 18818 13216 1 24 . 1 1 11 11 ASP N N 11 120.600 120.600 118.812 1.788 18818 13217 1 24 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.622 -0.012 18818 13218 1 24 . 1 1 11 11 ASP C C 11 176.100 176.100 175.502 0.598 18818 13219 1 24 . 1 1 11 11 ASP CA C 11 54.300 54.300 54.061 0.239 18818 13220 1 24 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.477 -0.677 18818 13221 1 24 . 1 1 11 11 ASP H H 11 8.200 8.200 8.260 -0.060 18818 13222 1 24 . 1 1 12 12 ALA N N 12 123.800 123.800 121.274 2.526 18818 13223 1 24 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.728 0.362 18818 13224 1 24 . 1 1 12 12 ALA C C 12 177.800 177.800 176.383 1.417 18818 13225 1 24 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.061 -0.561 18818 13226 1 24 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.748 1.052 18818 13227 1 24 . 1 1 12 12 ALA H H 12 8.070 8.070 8.321 -0.251 18818 13228 1 24 . 1 1 13 13 GLN N N 13 118.500 118.500 117.821 0.679 18818 13229 1 24 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.312 -0.042 18818 13230 1 24 . 1 1 13 13 GLN C C 13 175.700 175.700 175.968 -0.268 18818 13231 1 24 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.060 -0.160 18818 13232 1 24 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.615 -0.515 18818 13233 1 24 . 1 1 13 13 GLN H H 13 8.230 8.230 8.259 -0.029 18818 13234 1 24 . 1 1 14 14 GLU N N 14 120.600 120.600 119.064 1.536 18818 13235 1 24 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.135 0.165 18818 13236 1 24 . 1 1 14 14 GLU C C 14 175.800 175.800 176.117 -0.317 18818 13237 1 24 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.133 -1.333 18818 13238 1 24 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.313 0.587 18818 13239 1 24 . 1 1 14 14 GLU H H 14 8.100 8.100 8.335 -0.235 18818 13240 1 24 . 1 1 15 15 PHE N N 15 121.100 121.100 119.735 1.365 18818 13241 1 24 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.823 0.057 18818 13242 1 24 . 1 1 15 15 PHE C C 15 176.900 176.900 176.722 0.178 18818 13243 1 24 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.690 -0.390 18818 13244 1 24 . 1 1 15 15 PHE CB C 15 39.300 39.300 40.472 -1.172 18818 13245 1 24 . 1 1 15 15 PHE H H 15 8.030 8.030 7.243 0.787 18818 13246 1 24 . 1 1 16 16 SER N N 16 119.400 119.400 117.329 2.071 18818 13247 1 24 . 1 1 16 16 SER HA H 16 4.850 4.850 4.392 0.458 18818 13248 1 24 . 1 1 16 16 SER C C 16 174.800 174.800 175.281 -0.481 18818 13249 1 24 . 1 1 16 16 SER CA C 16 57.000 57.000 58.137 -1.137 18818 13250 1 24 . 1 1 16 16 SER CB C 16 65.600 65.600 64.805 0.795 18818 13251 1 24 . 1 1 16 16 SER H H 16 9.530 9.530 9.190 0.340 18818 13252 1 24 . 1 1 17 17 ASP N N 17 121.300 121.300 122.361 -1.061 18818 13253 1 24 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.492 0.058 18818 13254 1 24 . 1 1 17 17 ASP C C 17 179.700 179.700 178.163 1.537 18818 13255 1 24 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.241 0.759 18818 13256 1 24 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.748 -1.248 18818 13257 1 24 . 1 1 17 17 ASP H H 17 9.270 9.270 8.911 0.359 18818 13258 1 24 . 1 1 18 18 VAL N N 18 120.600 120.600 119.709 0.891 18818 13259 1 24 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.817 -0.137 18818 13260 1 24 . 1 1 18 18 VAL C C 18 176.900 176.900 176.765 0.135 18818 13261 1 24 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.096 1.404 18818 13262 1 24 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.852 0.048 18818 13263 1 24 . 1 1 18 18 VAL H H 18 8.230 8.230 7.590 0.640 18818 13264 1 24 . 1 1 19 19 GLU N N 19 121.000 121.000 120.535 0.465 18818 13265 1 24 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.006 -0.266 18818 13266 1 24 . 1 1 19 19 GLU C C 19 178.600 178.600 178.775 -0.175 18818 13267 1 24 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.776 0.224 18818 13268 1 24 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.720 -1.020 18818 13269 1 24 . 1 1 19 19 GLU H H 19 8.180 8.180 7.728 0.452 18818 13270 1 24 . 1 1 20 20 ARG N N 20 118.100 118.100 118.547 -0.447 18818 13271 1 24 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.317 -0.017 18818 13272 1 24 . 1 1 20 20 ARG C C 20 178.700 178.700 178.297 0.403 18818 13273 1 24 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.544 0.556 18818 13274 1 24 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.393 0.307 18818 13275 1 24 . 1 1 20 20 ARG H H 20 8.920 8.920 8.778 0.142 18818 13276 1 24 . 1 1 21 21 ALA N N 21 123.800 123.800 122.919 0.881 18818 13277 1 24 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.141 0.279 18818 13278 1 24 . 1 1 21 21 ALA C C 21 179.300 179.300 179.353 -0.053 18818 13279 1 24 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.925 0.275 18818 13280 1 24 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.465 -0.565 18818 13281 1 24 . 1 1 21 21 ALA H H 21 8.060 8.060 7.522 0.538 18818 13282 1 24 . 1 1 22 22 ILE N N 22 118.200 118.200 119.090 -0.890 18818 13283 1 24 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.694 0.026 18818 13284 1 24 . 1 1 22 22 ILE C C 22 177.500 177.500 178.109 -0.609 18818 13285 1 24 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.675 0.325 18818 13286 1 24 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.610 -0.210 18818 13287 1 24 . 1 1 22 22 ILE H H 22 8.010 8.010 7.714 0.296 18818 13288 1 24 . 1 1 23 23 GLU N N 23 120.100 120.100 120.075 0.025 18818 13289 1 24 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.083 -0.123 18818 13290 1 24 . 1 1 23 23 GLU C C 23 178.000 178.000 179.289 -1.289 18818 13291 1 24 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.123 0.177 18818 13292 1 24 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.427 0.073 18818 13293 1 24 . 1 1 23 23 GLU H H 23 8.450 8.450 7.727 0.723 18818 13294 1 24 . 1 1 24 24 THR N N 24 117.300 117.300 115.706 1.594 18818 13295 1 24 . 1 1 24 24 THR HA H 24 4.010 4.010 4.193 -0.183 18818 13296 1 24 . 1 1 24 24 THR C C 24 177.000 177.000 176.984 0.016 18818 13297 1 24 . 1 1 24 24 THR CA C 24 67.100 67.100 66.447 0.653 18818 13298 1 24 . 1 1 24 24 THR CB C 24 68.200 68.200 69.004 -0.804 18818 13299 1 24 . 1 1 24 24 THR H H 24 8.720 8.720 8.161 0.559 18818 13300 1 24 . 1 1 25 25 LEU N N 25 123.400 123.400 120.721 2.679 18818 13301 1 24 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.468 -0.188 18818 13302 1 24 . 1 1 25 25 LEU C C 25 178.200 178.200 178.101 0.099 18818 13303 1 24 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.921 1.379 18818 13304 1 24 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.926 -0.226 18818 13305 1 24 . 1 1 25 25 LEU H H 25 8.150 8.150 7.799 0.351 18818 13306 1 24 . 1 1 26 26 ILE N N 26 119.500 119.500 120.211 -0.711 18818 13307 1 24 . 1 1 26 26 ILE HA H 26 4.000 4.000 4.028 -0.028 18818 13308 1 24 . 1 1 26 26 ILE C C 26 177.900 177.900 178.285 -0.385 18818 13309 1 24 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.300 0.800 18818 13310 1 24 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.181 -0.881 18818 13311 1 24 . 1 1 26 26 ILE H H 26 8.510 8.510 8.257 0.253 18818 13312 1 24 . 1 1 27 27 LYS N N 27 120.500 120.500 120.236 0.264 18818 13313 1 24 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.275 -0.125 18818 13314 1 24 . 1 1 27 27 LYS C C 27 179.600 179.600 178.874 0.726 18818 13315 1 24 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.915 1.185 18818 13316 1 24 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.331 0.669 18818 13317 1 24 . 1 1 27 27 LYS H H 27 9.000 9.000 8.722 0.278 18818 13318 1 24 . 1 1 28 28 ASN N N 28 117.300 117.300 117.646 -0.346 18818 13319 1 24 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.670 -0.110 18818 13320 1 24 . 1 1 28 28 ASN C C 28 176.000 176.000 177.151 -1.151 18818 13321 1 24 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.265 1.435 18818 13322 1 24 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.664 1.636 18818 13323 1 24 . 1 1 28 28 ASN H H 28 7.990 7.990 7.868 0.122 18818 13324 1 24 . 1 1 29 29 PHE N N 29 119.100 119.100 121.633 -2.533 18818 13325 1 24 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.675 0.235 18818 13326 1 24 . 1 1 29 29 PHE C C 29 176.200 176.200 177.464 -1.264 18818 13327 1 24 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.335 -0.135 18818 13328 1 24 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.600 0.000 18818 13329 1 24 . 1 1 29 29 PHE H H 29 7.990 7.990 8.044 -0.054 18818 13330 1 24 . 1 1 30 30 HIS N N 30 114.700 114.700 118.609 -3.909 18818 13331 1 24 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.354 -0.034 18818 13332 1 24 . 1 1 30 30 HIS C C 30 177.400 177.400 178.173 -0.773 18818 13333 1 24 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.513 -1.013 18818 13334 1 24 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.389 0.211 18818 13335 1 24 . 1 1 30 30 HIS H H 30 8.180 8.180 7.686 0.494 18818 13336 1 24 . 1 1 31 31 GLN N N 31 118.500 118.500 118.991 -0.491 18818 13337 1 24 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.067 0.013 18818 13338 1 24 . 1 1 31 31 GLN C C 31 176.600 176.600 177.301 -0.701 18818 13339 1 24 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.703 -0.903 18818 13340 1 24 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.680 -0.281 18818 13341 1 24 . 1 1 31 31 GLN H H 31 8.280 8.280 8.035 0.245 18818 13342 1 24 . 1 1 32 32 TYR N N 32 115.700 115.700 115.538 0.162 18818 13343 1 24 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.425 -0.215 18818 13344 1 24 . 1 1 32 32 TYR C C 32 174.800 174.800 176.303 -1.503 18818 13345 1 24 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.912 0.788 18818 13346 1 24 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.635 -0.935 18818 13347 1 24 . 1 1 32 32 TYR H H 32 7.410 7.410 7.518 -0.108 18818 13348 1 24 . 1 1 33 33 SER N N 33 114.000 114.000 114.904 -0.904 18818 13349 1 24 . 1 1 33 33 SER HA H 33 4.530 4.530 4.547 -0.017 18818 13350 1 24 . 1 1 33 33 SER C C 33 175.000 175.000 175.181 -0.181 18818 13351 1 24 . 1 1 33 33 SER CA C 33 57.200 57.200 57.440 -0.240 18818 13352 1 24 . 1 1 33 33 SER CB C 33 63.200 63.200 62.996 0.204 18818 13353 1 24 . 1 1 33 33 SER H H 33 7.260 7.260 7.537 -0.277 18818 13354 1 24 . 1 1 34 34 VAL N N 34 126.600 126.600 117.547 9.053 18818 13355 1 24 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.843 0.167 18818 13356 1 24 . 1 1 34 34 VAL C C 34 177.800 177.800 176.732 1.068 18818 13357 1 24 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.532 -0.132 18818 13358 1 24 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.345 0.755 18818 13359 1 24 . 1 1 34 34 VAL H H 34 8.490 8.490 7.911 0.579 18818 13360 1 24 . 1 1 35 35 GLU N N 35 122.100 122.100 119.697 2.403 18818 13361 1 24 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.430 -0.180 18818 13362 1 24 . 1 1 35 35 GLU C C 35 177.800 177.800 176.993 0.807 18818 13363 1 24 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.544 0.957 18818 13364 1 24 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.244 0.556 18818 13365 1 24 . 1 1 35 35 GLU H H 35 8.980 8.980 8.436 0.544 18818 13366 1 24 . 1 1 36 36 GLY N N 36 108.500 108.500 107.873 0.627 18818 13367 1 24 . 1 1 36 36 GLY C C 36 175.000 175.000 174.568 0.432 18818 13368 1 24 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.241 1.059 18818 13369 1 24 . 1 1 36 36 GLY H H 36 8.490 8.490 7.996 0.494 18818 13370 1 24 . 1 1 37 37 GLY N N 37 108.700 108.700 109.052 -0.352 18818 13371 1 24 . 1 1 37 37 GLY C C 37 174.100 174.100 175.102 -1.002 18818 13372 1 24 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.541 0.259 18818 13373 1 24 . 1 1 37 37 GLY H H 37 8.140 8.140 8.252 -0.112 18818 13374 1 24 . 1 1 38 38 LYS N N 38 118.000 118.000 113.692 4.308 18818 13375 1 24 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.750 0.720 18818 13376 1 24 . 1 1 38 38 LYS C C 38 176.000 176.000 175.441 0.559 18818 13377 1 24 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.724 -1.624 18818 13378 1 24 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.476 2.224 18818 13379 1 24 . 1 1 38 38 LYS H H 38 8.050 8.050 8.159 -0.109 18818 13380 1 24 . 1 1 39 39 GLU N N 39 118.100 118.100 113.794 4.306 18818 13381 1 24 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.662 -0.102 18818 13382 1 24 . 1 1 39 39 GLU C C 39 175.600 175.600 175.050 0.550 18818 13383 1 24 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.549 0.251 18818 13384 1 24 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.889 -2.689 18818 13385 1 24 . 1 1 39 39 GLU H H 39 8.630 8.630 7.862 0.768 18818 13386 1 24 . 1 1 40 40 THR N N 40 108.100 108.100 108.699 -0.599 18818 13387 1 24 . 1 1 40 40 THR HA H 40 5.160 5.160 4.796 0.364 18818 13388 1 24 . 1 1 40 40 THR C C 40 173.400 173.400 173.082 0.318 18818 13389 1 24 . 1 1 40 40 THR CA C 40 59.300 59.300 60.514 -1.214 18818 13390 1 24 . 1 1 40 40 THR CB C 40 72.100 72.100 71.179 0.921 18818 13391 1 24 . 1 1 40 40 THR H H 40 7.490 7.490 7.219 0.271 18818 13392 1 24 . 1 1 41 41 LEU N N 41 120.700 120.700 122.735 -2.035 18818 13393 1 24 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.675 0.365 18818 13394 1 24 . 1 1 41 41 LEU C C 41 177.000 177.000 176.089 0.911 18818 13395 1 24 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.245 -0.945 18818 13396 1 24 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.360 0.940 18818 13397 1 24 . 1 1 41 41 LEU H H 41 8.660 8.660 8.644 0.016 18818 13398 1 24 . 1 1 42 42 THR N N 42 113.500 113.500 108.926 4.574 18818 13399 1 24 . 1 1 42 42 THR HA H 42 5.000 5.000 4.838 0.162 18818 13400 1 24 . 1 1 42 42 THR C C 42 174.100 174.100 173.410 0.690 18818 13401 1 24 . 1 1 42 42 THR CA C 42 59.800 59.800 58.851 0.949 18818 13402 1 24 . 1 1 42 42 THR CB C 42 68.100 68.100 70.723 -2.623 18818 13403 1 24 . 1 1 42 42 THR H H 42 9.130 9.130 8.187 0.943 18818 13404 1 24 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.174 -0.024 18818 13405 1 24 . 1 1 43 43 PRO C C 43 178.600 178.600 178.336 0.264 18818 13406 1 24 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.733 0.467 18818 13407 1 24 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.805 -0.105 18818 13408 1 24 . 1 1 44 44 SER N N 44 111.600 111.600 113.517 -1.917 18818 13409 1 24 . 1 1 44 44 SER HA H 44 4.170 4.170 4.228 -0.058 18818 13410 1 24 . 1 1 44 44 SER C C 44 176.200 176.200 176.432 -0.232 18818 13411 1 24 . 1 1 44 44 SER CA C 44 61.500 61.500 61.839 -0.339 18818 13412 1 24 . 1 1 44 44 SER CB C 44 62.200 62.200 63.077 -0.877 18818 13413 1 24 . 1 1 44 44 SER H H 44 8.090 8.090 7.931 0.159 18818 13414 1 24 . 1 1 45 45 GLU N N 45 123.900 123.900 121.396 2.504 18818 13415 1 24 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.234 0.026 18818 13416 1 24 . 1 1 45 45 GLU C C 45 179.000 179.000 178.407 0.593 18818 13417 1 24 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.359 0.741 18818 13418 1 24 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.094 0.606 18818 13419 1 24 . 1 1 45 45 GLU H H 45 7.700 7.700 7.810 -0.110 18818 13420 1 24 . 1 1 46 46 LEU N N 46 118.900 118.900 122.754 -3.854 18818 13421 1 24 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.076 0.004 18818 13422 1 24 . 1 1 46 46 LEU C C 46 177.600 177.600 178.409 -0.809 18818 13423 1 24 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.044 -0.744 18818 13424 1 24 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.119 -1.219 18818 13425 1 24 . 1 1 46 46 LEU H H 46 8.400 8.400 7.874 0.526 18818 13426 1 24 . 1 1 47 47 ARG N N 47 119.300 119.300 116.194 3.106 18818 13427 1 24 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.034 -0.264 18818 13428 1 24 . 1 1 47 47 ARG C C 47 178.900 178.900 178.612 0.288 18818 13429 1 24 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.764 1.236 18818 13430 1 24 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.369 -0.369 18818 13431 1 24 . 1 1 47 47 ARG H H 47 8.260 8.260 8.010 0.250 18818 13432 1 24 . 1 1 48 48 ASP N N 48 122.300 122.300 121.012 1.288 18818 13433 1 24 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.555 -0.125 18818 13434 1 24 . 1 1 48 48 ASP C C 48 176.700 176.700 178.079 -1.379 18818 13435 1 24 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.350 0.150 18818 13436 1 24 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.645 -2.244 18818 13437 1 24 . 1 1 48 48 ASP H H 48 8.160 8.160 7.814 0.346 18818 13438 1 24 . 1 1 49 49 LEU N N 49 122.600 122.600 119.311 3.289 18818 13439 1 24 . 1 1 49 49 LEU HA H 49 3.170 3.170 4.010 -0.840 18818 13440 1 24 . 1 1 49 49 LEU C C 49 179.100 179.100 178.413 0.687 18818 13441 1 24 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.545 1.455 18818 13442 1 24 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.283 0.017 18818 13443 1 24 . 1 1 49 49 LEU H H 49 7.980 7.980 8.073 -0.093 18818 13444 1 24 . 1 1 50 50 VAL N N 50 118.200 118.200 120.176 -1.976 18818 13445 1 24 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.635 -0.085 18818 13446 1 24 . 1 1 50 50 VAL C C 50 178.800 178.800 178.217 0.583 18818 13447 1 24 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.818 -0.418 18818 13448 1 24 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.243 0.257 18818 13449 1 24 . 1 1 50 50 VAL H H 50 8.390 8.390 7.879 0.511 18818 13450 1 24 . 1 1 51 51 THR N N 51 115.000 115.000 112.769 2.231 18818 13451 1 24 . 1 1 51 51 THR HA H 51 3.990 3.990 4.085 -0.095 18818 13452 1 24 . 1 1 51 51 THR C C 51 176.000 176.000 175.990 0.010 18818 13453 1 24 . 1 1 51 51 THR CA C 51 65.800 65.800 65.006 0.794 18818 13454 1 24 . 1 1 51 51 THR CB C 51 68.900 68.900 68.856 0.044 18818 13455 1 24 . 1 1 51 51 THR H H 51 8.480 8.480 7.791 0.689 18818 13456 1 24 . 1 1 52 52 GLN N N 52 116.400 116.400 119.139 -2.739 18818 13457 1 24 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.254 -0.004 18818 13458 1 24 . 1 1 52 52 GLN C C 52 178.300 178.300 177.880 0.420 18818 13459 1 24 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.218 -0.418 18818 13460 1 24 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.334 -0.834 18818 13461 1 24 . 1 1 52 52 GLN H H 52 8.180 8.180 7.955 0.225 18818 13462 1 24 . 1 1 53 53 GLN N N 53 112.100 112.100 114.479 -2.379 18818 13463 1 24 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.559 0.291 18818 13464 1 24 . 1 1 53 53 GLN C C 53 176.900 176.900 176.438 0.462 18818 13465 1 24 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.311 -1.311 18818 13466 1 24 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.172 -2.772 18818 13467 1 24 . 1 1 53 53 GLN H H 53 8.490 8.490 8.030 0.460 18818 13468 1 24 . 1 1 54 54 LEU N N 54 119.800 119.800 120.460 -0.660 18818 13469 1 24 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.932 0.318 18818 13470 1 24 . 1 1 54 54 LEU C C 54 176.900 176.900 174.705 2.195 18818 13471 1 24 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.536 1.364 18818 13472 1 24 . 1 1 54 54 LEU CB C 54 42.100 42.100 42.009 0.091 18818 13473 1 24 . 1 1 54 54 LEU H H 54 7.920 7.920 7.555 0.365 18818 13474 1 24 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.476 -0.006 18818 13475 1 24 . 1 1 55 55 PRO C C 55 178.300 178.300 177.331 0.969 18818 13476 1 24 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.043 1.257 18818 13477 1 24 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.737 -1.037 18818 13478 1 24 . 1 1 56 56 HIS N N 56 116.500 116.500 116.704 -0.204 18818 13479 1 24 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.488 0.102 18818 13480 1 24 . 1 1 56 56 HIS C C 56 176.300 176.300 176.333 -0.033 18818 13481 1 24 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.051 -0.251 18818 13482 1 24 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.237 -0.937 18818 13483 1 24 . 1 1 56 56 HIS H H 56 9.770 9.770 8.245 1.525 18818 13484 1 24 . 1 1 57 57 LEU N N 57 116.600 116.600 120.024 -3.424 18818 13485 1 24 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.268 0.062 18818 13486 1 24 . 1 1 57 57 LEU C C 57 176.400 176.400 175.860 0.540 18818 13487 1 24 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.106 -0.706 18818 13488 1 24 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.531 -0.031 18818 13489 1 24 . 1 1 57 57 LEU H H 57 7.830 7.830 7.946 -0.116 18818 13490 1 24 . 1 1 58 58 MET N N 58 118.000 118.000 115.147 2.853 18818 13491 1 24 . 1 1 58 58 MET HA H 58 4.540 4.540 4.869 -0.329 18818 13492 1 24 . 1 1 58 58 MET C C 58 171.600 171.600 173.166 -1.566 18818 13493 1 24 . 1 1 58 58 MET CA C 58 53.500 53.500 53.308 0.192 18818 13494 1 24 . 1 1 58 58 MET CB C 58 32.700 32.700 35.051 -2.351 18818 13495 1 24 . 1 1 58 58 MET H H 58 7.970 7.970 7.711 0.259 18818 13496 1 24 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.799 -0.349 18818 13497 1 24 . 1 1 59 59 PRO C C 59 177.400 177.400 176.513 0.887 18818 13498 1 24 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.068 1.032 18818 13499 1 24 . 1 1 59 59 PRO CB C 59 31.900 31.900 33.036 -1.136 18818 13500 1 24 . 1 1 60 60 SER N N 60 114.900 114.900 116.465 -1.565 18818 13501 1 24 . 1 1 60 60 SER HA H 60 4.340 4.340 4.344 -0.004 18818 13502 1 24 . 1 1 60 60 SER C C 60 174.700 174.700 175.998 -1.298 18818 13503 1 24 . 1 1 60 60 SER CA C 60 59.100 59.100 59.413 -0.312 18818 13504 1 24 . 1 1 60 60 SER CB C 60 63.200 63.200 63.809 -0.609 18818 13505 1 24 . 1 1 60 60 SER H H 60 8.360 8.360 8.459 -0.099 18818 13506 1 24 . 1 1 61 61 ASN N N 61 120.800 120.800 116.032 4.768 18818 13507 1 24 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.423 0.387 18818 13508 1 24 . 1 1 61 61 ASN C C 61 175.500 175.500 174.316 1.184 18818 13509 1 24 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.633 -2.633 18818 13510 1 24 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.367 0.533 18818 13511 1 24 . 1 1 61 61 ASN H H 61 7.990 7.990 8.946 -0.956 18818 13512 1 24 . 1 1 62 62 CYS N N 62 117.800 117.800 116.766 1.034 18818 13513 1 24 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.637 -0.047 18818 13514 1 24 . 1 1 62 62 CYS C C 62 175.300 175.300 175.711 -0.411 18818 13515 1 24 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.103 -0.903 18818 13516 1 24 . 1 1 62 62 CYS CB C 62 27.400 27.400 29.383 -1.983 18818 13517 1 24 . 1 1 62 62 CYS H H 62 8.260 8.260 7.743 0.517 18818 13518 1 24 . 1 1 63 63 GLY N N 63 111.300 111.300 109.020 2.280 18818 13519 1 24 . 1 1 63 63 GLY C C 63 175.600 175.600 175.140 0.460 18818 13520 1 24 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.505 -1.205 18818 13521 1 24 . 1 1 63 63 GLY H H 63 8.520 8.520 8.801 -0.281 18818 13522 1 24 . 1 1 64 64 LEU N N 64 122.400 122.400 116.440 5.960 18818 13523 1 24 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.756 -0.706 18818 13524 1 24 . 1 1 64 64 LEU C C 64 177.900 177.900 177.371 0.529 18818 13525 1 24 . 1 1 64 64 LEU CA C 64 57.600 57.600 55.363 2.237 18818 13526 1 24 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.850 0.150 18818 13527 1 24 . 1 1 64 64 LEU H H 64 7.910 7.910 7.340 0.570 18818 13528 1 24 . 1 1 65 65 GLU N N 65 117.900 117.900 118.728 -0.828 18818 13529 1 24 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.129 -0.219 18818 13530 1 24 . 1 1 65 65 GLU C C 65 179.100 179.100 178.132 0.968 18818 13531 1 24 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.130 1.871 18818 13532 1 24 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.815 -1.415 18818 13533 1 24 . 1 1 65 65 GLU H H 65 8.660 8.660 7.822 0.838 18818 13534 1 24 . 1 1 66 66 GLU N N 66 120.000 120.000 120.513 -0.513 18818 13535 1 24 . 1 1 66 66 GLU HA H 66 4.120 4.120 3.997 0.123 18818 13536 1 24 . 1 1 66 66 GLU C C 66 178.200 178.200 178.490 -0.290 18818 13537 1 24 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.433 -0.333 18818 13538 1 24 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.008 0.092 18818 13539 1 24 . 1 1 66 66 GLU H H 66 8.220 8.220 8.404 -0.184 18818 13540 1 24 . 1 1 67 67 LYS N N 67 119.300 119.300 116.907 2.393 18818 13541 1 24 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.162 -0.022 18818 13542 1 24 . 1 1 67 67 LYS C C 67 179.400 179.400 177.730 1.670 18818 13543 1 24 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.331 1.569 18818 13544 1 24 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.632 0.468 18818 13545 1 24 . 1 1 67 67 LYS H H 67 7.780 7.780 8.487 -0.707 18818 13546 1 24 . 1 1 68 68 ILE N N 68 118.400 118.400 118.632 -0.232 18818 13547 1 24 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.974 -0.254 18818 13548 1 24 . 1 1 68 68 ILE C C 68 177.800 177.800 177.021 0.779 18818 13549 1 24 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.120 1.380 18818 13550 1 24 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.580 -1.280 18818 13551 1 24 . 1 1 68 68 ILE H H 68 8.230 8.230 7.599 0.631 18818 13552 1 24 . 1 1 69 69 ALA N N 69 122.900 122.900 122.196 0.704 18818 13553 1 24 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.090 0.130 18818 13554 1 24 . 1 1 69 69 ALA C C 69 179.600 179.600 179.268 0.332 18818 13555 1 24 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.002 -0.602 18818 13556 1 24 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.278 -0.378 18818 13557 1 24 . 1 1 69 69 ALA H H 69 8.070 8.070 8.082 -0.012 18818 13558 1 24 . 1 1 70 70 ASN N N 70 115.400 115.400 114.784 0.616 18818 13559 1 24 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.693 0.177 18818 13560 1 24 . 1 1 70 70 ASN C C 70 176.500 176.500 176.390 0.110 18818 13561 1 24 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.267 0.034 18818 13562 1 24 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.458 -0.758 18818 13563 1 24 . 1 1 70 70 ASN H H 70 7.880 7.880 8.166 -0.286 18818 13564 1 24 . 1 1 71 71 LEU N N 71 120.600 120.600 116.487 4.113 18818 13565 1 24 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.738 -0.408 18818 13566 1 24 . 1 1 71 71 LEU C C 71 178.300 178.300 178.682 -0.382 18818 13567 1 24 . 1 1 71 71 LEU CA C 71 56.300 56.300 56.253 0.047 18818 13568 1 24 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.468 0.832 18818 13569 1 24 . 1 1 71 71 LEU H H 71 7.820 7.820 7.281 0.539 18818 13570 1 24 . 1 1 72 72 GLY N N 72 106.800 106.800 109.490 -2.690 18818 13571 1 24 . 1 1 72 72 GLY C C 72 174.400 174.400 176.448 -2.048 18818 13572 1 24 . 1 1 72 72 GLY CA C 72 45.700 45.700 47.162 -1.462 18818 13573 1 24 . 1 1 72 72 GLY H H 72 8.240 8.240 7.899 0.341 18818 13574 1 24 . 1 1 73 73 SER N N 73 115.600 115.600 116.715 -1.115 18818 13575 1 24 . 1 1 73 73 SER HA H 73 4.570 4.570 4.344 0.226 18818 13576 1 24 . 1 1 73 73 SER C C 73 175.000 175.000 174.768 0.232 18818 13577 1 24 . 1 1 73 73 SER CA C 73 58.900 58.900 60.789 -1.889 18818 13578 1 24 . 1 1 73 73 SER CB C 73 63.600 63.600 62.905 0.695 18818 13579 1 24 . 1 1 73 73 SER H H 73 8.220 8.220 8.757 -0.537 18818 13580 1 24 . 1 1 74 74 CYS N N 74 119.300 119.300 117.133 2.167 18818 13581 1 24 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.644 0.006 18818 13582 1 24 . 1 1 74 74 CYS C C 74 174.500 174.500 174.394 0.106 18818 13583 1 24 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.752 -0.052 18818 13584 1 24 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.524 -1.824 18818 13585 1 24 . 1 1 74 74 CYS H H 74 8.260 8.260 7.665 0.595 18818 13586 1 24 . 1 1 75 75 ASN N N 75 120.000 120.000 120.919 -0.919 18818 13587 1 24 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.765 0.075 18818 13588 1 24 . 1 1 75 75 ASN C C 75 174.700 174.700 175.157 -0.457 18818 13589 1 24 . 1 1 75 75 ASN CA C 75 53.800 53.800 52.408 1.392 18818 13590 1 24 . 1 1 75 75 ASN CB C 75 38.900 38.900 37.182 1.718 18818 13591 1 24 . 1 1 75 75 ASN H H 75 8.430 8.430 8.013 0.417 18818 13592 1 24 . 1 1 76 76 ASP N N 76 119.200 119.200 121.012 -1.812 18818 13593 1 24 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.615 0.055 18818 13594 1 24 . 1 1 76 76 ASP C C 76 175.500 175.500 177.202 -1.702 18818 13595 1 24 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.624 -2.224 18818 13596 1 24 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.039 -0.440 18818 13597 1 24 . 1 1 76 76 ASP H H 76 8.300 8.300 8.069 0.231 18818 13598 1 24 . 1 1 77 77 SER N N 77 112.800 112.800 114.574 -1.774 18818 13599 1 24 . 1 1 77 77 SER HA H 77 4.260 4.260 4.522 -0.262 18818 13600 1 24 . 1 1 77 77 SER C C 77 173.300 173.300 173.117 0.183 18818 13601 1 24 . 1 1 77 77 SER CA C 77 59.000 59.000 58.039 0.961 18818 13602 1 24 . 1 1 77 77 SER CB C 77 63.100 63.100 63.585 -0.485 18818 13603 1 24 . 1 1 77 77 SER H H 77 8.220 8.220 8.316 -0.096 18818 13604 1 24 . 1 1 78 78 LYS N N 78 120.600 120.600 117.335 3.265 18818 13605 1 24 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.929 0.631 18818 13606 1 24 . 1 1 78 78 LYS C C 78 175.300 175.300 175.815 -0.515 18818 13607 1 24 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.256 -1.656 18818 13608 1 24 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.207 2.093 18818 13609 1 24 . 1 1 78 78 LYS H H 78 7.930 7.930 7.400 0.530 18818 13610 1 24 . 1 1 79 79 LEU N N 79 123.700 123.700 120.573 3.127 18818 13611 1 24 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.378 0.402 18818 13612 1 24 . 1 1 79 79 LEU C C 79 176.100 176.100 177.681 -1.581 18818 13613 1 24 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.325 -1.125 18818 13614 1 24 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.862 -0.862 18818 13615 1 24 . 1 1 79 79 LEU H H 79 9.020 9.020 8.548 0.472 18818 13616 1 24 . 1 1 80 80 GLU N N 80 121.200 121.200 117.412 3.788 18818 13617 1 24 . 1 1 80 80 GLU HA H 80 4.900 4.900 5.230 -0.330 18818 13618 1 24 . 1 1 80 80 GLU C C 80 177.100 177.100 176.353 0.747 18818 13619 1 24 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.634 0.566 18818 13620 1 24 . 1 1 80 80 GLU CB C 80 31.600 31.600 31.209 0.391 18818 13621 1 24 . 1 1 80 80 GLU H H 80 8.630 8.630 8.879 -0.249 18818 13622 1 24 . 1 1 81 81 PHE N N 81 123.500 123.500 122.194 1.306 18818 13623 1 24 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.245 0.285 18818 13624 1 24 . 1 1 81 81 PHE C C 81 177.000 177.000 177.012 -0.012 18818 13625 1 24 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.192 0.108 18818 13626 1 24 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.528 -1.028 18818 13627 1 24 . 1 1 81 81 PHE H H 81 9.360 9.360 9.199 0.161 18818 13628 1 24 . 1 1 82 82 ARG N N 82 116.500 116.500 119.271 -2.771 18818 13629 1 24 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.032 0.008 18818 13630 1 24 . 1 1 82 82 ARG C C 82 178.000 178.000 178.281 -0.281 18818 13631 1 24 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.590 -0.390 18818 13632 1 24 . 1 1 82 82 ARG CB C 82 29.200 29.200 30.234 -1.034 18818 13633 1 24 . 1 1 82 82 ARG H H 82 8.940 8.940 8.309 0.631 18818 13634 1 24 . 1 1 83 83 SER N N 83 115.700 115.700 114.469 1.231 18818 13635 1 24 . 1 1 83 83 SER HA H 83 4.510 4.510 4.336 0.174 18818 13636 1 24 . 1 1 83 83 SER C C 83 175.800 175.800 176.438 -0.638 18818 13637 1 24 . 1 1 83 83 SER CA C 83 61.700 61.700 61.055 0.645 18818 13638 1 24 . 1 1 83 83 SER CB C 83 62.700 62.700 62.913 -0.213 18818 13639 1 24 . 1 1 83 83 SER H H 83 7.610 7.610 8.460 -0.850 18818 13640 1 24 . 1 1 84 84 PHE N N 84 122.200 122.200 123.861 -1.661 18818 13641 1 24 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.292 -0.072 18818 13642 1 24 . 1 1 84 84 PHE C C 84 175.000 175.000 176.320 -1.320 18818 13643 1 24 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.166 -1.166 18818 13644 1 24 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.330 -0.130 18818 13645 1 24 . 1 1 84 84 PHE H H 84 7.490 7.490 8.129 -0.639 18818 13646 1 24 . 1 1 85 85 TRP N N 85 120.700 120.700 120.599 0.101 18818 13647 1 24 . 1 1 85 85 TRP HA H 85 3.760 3.760 3.976 -0.216 18818 13648 1 24 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.663 -0.863 18818 13649 1 24 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.482 -0.282 18818 13650 1 24 . 1 1 85 85 TRP H H 85 8.770 8.770 8.181 0.589 18818 13651 1 24 . 1 1 86 86 GLU N N 86 119.100 119.100 117.342 1.758 18818 13652 1 24 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.904 0.176 18818 13653 1 24 . 1 1 86 86 GLU C C 86 179.100 179.100 179.041 0.059 18818 13654 1 24 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.254 0.046 18818 13655 1 24 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.127 0.373 18818 13656 1 24 . 1 1 86 86 GLU H H 86 8.150 8.150 8.116 0.034 18818 13657 1 24 . 1 1 87 87 LEU N N 87 120.800 120.800 119.930 0.870 18818 13658 1 24 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.068 -0.018 18818 13659 1 24 . 1 1 87 87 LEU C C 87 178.900 178.900 178.213 0.687 18818 13660 1 24 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.476 1.424 18818 13661 1 24 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.188 -0.888 18818 13662 1 24 . 1 1 87 87 LEU H H 87 7.600 7.600 7.449 0.151 18818 13663 1 24 . 1 1 88 88 ILE N N 88 115.200 115.200 119.961 -4.761 18818 13664 1 24 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.280 0.300 18818 13665 1 24 . 1 1 88 88 ILE C C 88 177.300 177.300 177.425 -0.125 18818 13666 1 24 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.225 -2.225 18818 13667 1 24 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.625 -1.025 18818 13668 1 24 . 1 1 88 88 ILE H H 88 7.960 7.960 7.250 0.710 18818 13669 1 24 . 1 1 89 89 GLY N N 89 108.100 108.100 106.367 1.733 18818 13670 1 24 . 1 1 89 89 GLY C C 89 175.700 175.700 175.644 0.056 18818 13671 1 24 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.013 -1.613 18818 13672 1 24 . 1 1 89 89 GLY H H 89 7.620 7.620 7.802 -0.182 18818 13673 1 24 . 1 1 90 90 GLU N N 90 120.000 120.000 121.503 -1.503 18818 13674 1 24 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.113 -0.153 18818 13675 1 24 . 1 1 90 90 GLU C C 90 179.100 179.100 178.060 1.040 18818 13676 1 24 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.730 0.470 18818 13677 1 24 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.349 -0.549 18818 13678 1 24 . 1 1 90 90 GLU H H 90 7.410 7.410 7.461 -0.051 18818 13679 1 24 . 1 1 91 91 ALA N N 91 122.400 122.400 122.171 0.229 18818 13680 1 24 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.996 0.024 18818 13681 1 24 . 1 1 91 91 ALA C C 91 178.700 178.700 179.759 -1.059 18818 13682 1 24 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.763 -0.763 18818 13683 1 24 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.110 -0.110 18818 13684 1 24 . 1 1 91 91 ALA H H 91 7.610 7.610 7.493 0.117 18818 13685 1 24 . 1 1 92 92 ALA N N 92 118.000 118.000 119.035 -1.035 18818 13686 1 24 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.060 -0.390 18818 13687 1 24 . 1 1 92 92 ALA C C 92 177.900 177.900 179.532 -1.632 18818 13688 1 24 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.417 -0.517 18818 13689 1 24 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.424 -0.524 18818 13690 1 24 . 1 1 92 92 ALA H H 92 7.740 7.740 7.986 -0.246 18818 13691 1 24 . 1 1 93 93 LYS N N 93 114.600 114.600 116.995 -2.395 18818 13692 1 24 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.091 -0.321 18818 13693 1 24 . 1 1 93 93 LYS C C 93 177.000 177.000 177.574 -0.574 18818 13694 1 24 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.797 -0.297 18818 13695 1 24 . 1 1 93 93 LYS CB C 93 31.800 31.800 31.620 0.180 18818 13696 1 24 . 1 1 93 93 LYS H H 93 7.200 7.200 7.637 -0.437 18818 13697 1 24 . 1 1 94 94 SER N N 94 113.000 113.000 112.756 0.244 18818 13698 1 24 . 1 1 94 94 SER HA H 94 4.450 4.450 4.448 0.002 18818 13699 1 24 . 1 1 94 94 SER C C 94 174.500 174.500 174.095 0.405 18818 13700 1 24 . 1 1 94 94 SER CA C 94 58.800 58.800 58.470 0.330 18818 13701 1 24 . 1 1 94 94 SER CB C 94 63.900 63.900 64.748 -0.848 18818 13702 1 24 . 1 1 94 94 SER H H 94 7.530 7.530 7.712 -0.182 18818 13703 1 24 . 1 1 95 95 VAL N N 95 122.100 122.100 120.968 1.132 18818 13704 1 24 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.205 -0.265 18818 13705 1 24 . 1 1 95 95 VAL C C 95 175.400 175.400 174.068 1.332 18818 13706 1 24 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.066 1.134 18818 13707 1 24 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.613 -1.113 18818 13708 1 24 . 1 1 95 95 VAL H H 95 7.440 7.440 7.524 -0.084 18818 13709 1 24 . 1 1 96 96 LYS N N 96 126.300 126.300 127.084 -0.784 18818 13710 1 24 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.553 -0.153 18818 13711 1 24 . 1 1 96 96 LYS C C 96 176.000 176.000 175.663 0.337 18818 13712 1 24 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.821 0.679 18818 13713 1 24 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.425 -1.925 18818 13714 1 24 . 1 1 96 96 LYS H H 96 8.470 8.470 8.312 0.158 18818 13715 1 24 . 1 1 97 97 LEU N N 97 123.400 123.400 123.452 -0.052 18818 13716 1 24 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.231 0.179 18818 13717 1 24 . 1 1 97 97 LEU C C 97 176.700 176.700 177.021 -0.321 18818 13718 1 24 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.858 -1.458 18818 13719 1 24 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.469 -0.169 18818 13720 1 24 . 1 1 97 97 LEU H H 97 8.140 8.140 8.297 -0.157 18818 13721 1 24 . 1 1 98 98 GLU N N 98 121.400 121.400 124.270 -2.870 18818 13722 1 24 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.363 -0.023 18818 13723 1 24 . 1 1 98 98 GLU C C 98 175.900 175.900 176.204 -0.304 18818 13724 1 24 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.050 0.150 18818 13725 1 24 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.660 0.440 18818 13726 1 24 . 1 1 98 98 GLU H H 98 8.320 8.320 8.539 -0.219 18818 13727 1 24 . 1 1 99 99 ARG N N 99 122.800 122.800 121.672 1.128 18818 13728 1 24 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.493 0.317 18818 13729 1 24 . 1 1 99 99 ARG C C 99 173.900 173.900 174.594 -0.694 18818 13730 1 24 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.796 -1.196 18818 13731 1 24 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.008 -0.108 18818 13732 1 24 . 1 1 99 99 ARG H H 99 8.280 8.280 8.050 0.230 18818 13733 1 24 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.609 -0.089 18818 13734 1 24 . 1 1 100 100 PRO C C 100 176.700 176.700 175.432 1.268 18818 13735 1 24 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.912 -0.112 18818 13736 1 24 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.446 -0.746 18818 13737 1 24 . 1 1 101 101 VAL N N 101 120.500 120.500 120.409 0.091 18818 13738 1 24 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.311 -0.181 18818 13739 1 24 . 1 1 101 101 VAL C C 101 176.000 176.000 174.615 1.385 18818 13740 1 24 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.294 0.806 18818 13741 1 24 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.900 -2.700 18818 13742 1 24 . 1 1 101 101 VAL H H 101 8.230 8.230 8.083 0.147 18818 13743 1 24 . 1 1 102 102 ARG N N 102 124.600 124.600 124.863 -0.263 18818 13744 1 24 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.646 -0.226 18818 13745 1 24 . 1 1 102 102 ARG C C 102 176.400 176.400 175.852 0.548 18818 13746 1 24 . 1 1 102 102 ARG CA C 102 55.900 55.900 55.911 -0.011 18818 13747 1 24 . 1 1 102 102 ARG CB C 102 30.700 30.700 29.996 0.704 18818 13748 1 24 . 1 1 102 102 ARG H H 102 8.390 8.390 8.708 -0.318 18818 13749 1 24 . 1 1 103 103 GLY N N 103 110.400 110.400 112.570 -2.170 18818 13750 1 24 . 1 1 103 103 GLY C C 103 172.900 172.900 174.248 -1.348 18818 13751 1 24 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.229 0.771 18818 13752 1 24 . 1 1 103 103 GLY H H 103 8.400 8.400 8.557 -0.157 18818 13753 1 25 . 1 1 5 5 ARG N N 5 124.100 124.100 119.632 4.468 18818 13754 1 25 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.348 -0.298 18818 13755 1 25 . 1 1 5 5 ARG C C 5 173.800 173.800 176.505 -2.705 18818 13756 1 25 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.298 -0.298 18818 13757 1 25 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.945 -0.245 18818 13758 1 25 . 1 1 5 5 ARG H H 5 8.570 8.570 8.067 0.503 18818 13759 1 25 . 1 1 6 6 SER N N 6 117.500 117.500 118.403 -0.903 18818 13760 1 25 . 1 1 6 6 SER HA H 6 4.510 4.510 4.325 0.185 18818 13761 1 25 . 1 1 6 6 SER C C 6 174.100 174.100 174.716 -0.616 18818 13762 1 25 . 1 1 6 6 SER CA C 6 58.000 58.000 58.158 -0.158 18818 13763 1 25 . 1 1 6 6 SER CB C 6 63.700 63.700 63.988 -0.288 18818 13764 1 25 . 1 1 6 6 SER H H 6 8.370 8.370 8.421 -0.051 18818 13765 1 25 . 1 1 7 7 ALA N N 7 125.900 125.900 125.977 -0.077 18818 13766 1 25 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.240 0.160 18818 13767 1 25 . 1 1 7 7 ALA C C 7 177.200 177.200 176.783 0.417 18818 13768 1 25 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.637 -0.037 18818 13769 1 25 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.761 0.239 18818 13770 1 25 . 1 1 7 7 ALA H H 7 8.410 8.410 8.489 -0.079 18818 13771 1 25 . 1 1 8 8 ASN N N 8 117.400 117.400 121.991 -4.591 18818 13772 1 25 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.650 0.120 18818 13773 1 25 . 1 1 8 8 ASN C C 8 174.900 174.900 174.682 0.218 18818 13774 1 25 . 1 1 8 8 ASN CA C 8 52.900 52.900 54.008 -1.108 18818 13775 1 25 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.449 -0.649 18818 13776 1 25 . 1 1 8 8 ASN H H 8 8.360 8.360 8.634 -0.274 18818 13777 1 25 . 1 1 9 9 ALA N N 9 124.400 124.400 122.893 1.507 18818 13778 1 25 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.582 -0.232 18818 13779 1 25 . 1 1 9 9 ALA C C 9 177.800 177.800 177.540 0.260 18818 13780 1 25 . 1 1 9 9 ALA CA C 9 52.700 52.700 52.461 0.239 18818 13781 1 25 . 1 1 9 9 ALA CB C 9 18.900 18.900 19.064 -0.164 18818 13782 1 25 . 1 1 9 9 ALA H H 9 8.270 8.270 8.440 -0.170 18818 13783 1 25 . 1 1 10 10 GLU N N 10 119.300 119.300 119.814 -0.514 18818 13784 1 25 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.072 0.238 18818 13785 1 25 . 1 1 10 10 GLU C C 10 176.400 176.400 176.231 0.169 18818 13786 1 25 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.240 -1.341 18818 13787 1 25 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.701 -0.101 18818 13788 1 25 . 1 1 10 10 GLU H H 10 8.470 8.470 8.675 -0.205 18818 13789 1 25 . 1 1 11 11 ASP N N 11 120.600 120.600 117.634 2.966 18818 13790 1 25 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.590 0.020 18818 13791 1 25 . 1 1 11 11 ASP C C 11 176.100 176.100 175.050 1.050 18818 13792 1 25 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.592 0.709 18818 13793 1 25 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.631 -0.831 18818 13794 1 25 . 1 1 11 11 ASP H H 11 8.200 8.200 7.751 0.449 18818 13795 1 25 . 1 1 12 12 ALA N N 12 123.800 123.800 122.403 1.397 18818 13796 1 25 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.792 0.298 18818 13797 1 25 . 1 1 12 12 ALA C C 12 177.800 177.800 175.965 1.835 18818 13798 1 25 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.536 -0.036 18818 13799 1 25 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.801 0.999 18818 13800 1 25 . 1 1 12 12 ALA H H 12 8.070 8.070 7.738 0.332 18818 13801 1 25 . 1 1 13 13 GLN N N 13 118.500 118.500 119.970 -1.470 18818 13802 1 25 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.383 -0.113 18818 13803 1 25 . 1 1 13 13 GLN C C 13 175.700 175.700 176.561 -0.861 18818 13804 1 25 . 1 1 13 13 GLN CA C 13 55.900 55.900 55.935 -0.035 18818 13805 1 25 . 1 1 13 13 GLN CB C 13 29.100 29.100 30.134 -1.034 18818 13806 1 25 . 1 1 13 13 GLN H H 13 8.230 8.230 8.436 -0.206 18818 13807 1 25 . 1 1 14 14 GLU N N 14 120.600 120.600 119.845 0.755 18818 13808 1 25 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.171 0.129 18818 13809 1 25 . 1 1 14 14 GLU C C 14 175.800 175.800 176.757 -0.957 18818 13810 1 25 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.514 -1.714 18818 13811 1 25 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.981 -0.081 18818 13812 1 25 . 1 1 14 14 GLU H H 14 8.100 8.100 8.398 -0.298 18818 13813 1 25 . 1 1 15 15 PHE N N 15 121.100 121.100 117.950 3.150 18818 13814 1 25 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.721 0.159 18818 13815 1 25 . 1 1 15 15 PHE C C 15 176.900 176.900 176.551 0.349 18818 13816 1 25 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.505 -0.205 18818 13817 1 25 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.508 -0.208 18818 13818 1 25 . 1 1 15 15 PHE H H 15 8.030 8.030 7.489 0.541 18818 13819 1 25 . 1 1 16 16 SER N N 16 119.400 119.400 117.304 2.096 18818 13820 1 25 . 1 1 16 16 SER HA H 16 4.850 4.850 4.374 0.476 18818 13821 1 25 . 1 1 16 16 SER C C 16 174.800 174.800 175.498 -0.698 18818 13822 1 25 . 1 1 16 16 SER CA C 16 57.000 57.000 58.837 -1.837 18818 13823 1 25 . 1 1 16 16 SER CB C 16 65.600 65.600 64.172 1.428 18818 13824 1 25 . 1 1 16 16 SER H H 16 9.530 9.530 8.712 0.818 18818 13825 1 25 . 1 1 17 17 ASP N N 17 121.300 121.300 122.559 -1.259 18818 13826 1 25 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.424 0.126 18818 13827 1 25 . 1 1 17 17 ASP C C 17 179.700 179.700 178.600 1.100 18818 13828 1 25 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.932 0.068 18818 13829 1 25 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.381 -0.881 18818 13830 1 25 . 1 1 17 17 ASP H H 17 9.270 9.270 8.923 0.347 18818 13831 1 25 . 1 1 18 18 VAL N N 18 120.600 120.600 119.583 1.017 18818 13832 1 25 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.908 -0.228 18818 13833 1 25 . 1 1 18 18 VAL C C 18 176.900 176.900 177.212 -0.312 18818 13834 1 25 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.105 1.395 18818 13835 1 25 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.930 -0.030 18818 13836 1 25 . 1 1 18 18 VAL H H 18 8.230 8.230 7.895 0.335 18818 13837 1 25 . 1 1 19 19 GLU N N 19 121.000 121.000 118.622 2.378 18818 13838 1 25 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.145 -0.405 18818 13839 1 25 . 1 1 19 19 GLU C C 19 178.600 178.600 178.820 -0.220 18818 13840 1 25 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.161 0.839 18818 13841 1 25 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.448 -0.748 18818 13842 1 25 . 1 1 19 19 GLU H H 19 8.180 8.180 7.671 0.509 18818 13843 1 25 . 1 1 20 20 ARG N N 20 118.100 118.100 117.551 0.549 18818 13844 1 25 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.592 -0.292 18818 13845 1 25 . 1 1 20 20 ARG C C 20 178.700 178.700 178.318 0.382 18818 13846 1 25 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.389 0.710 18818 13847 1 25 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.134 -0.434 18818 13848 1 25 . 1 1 20 20 ARG H H 20 8.920 8.920 8.625 0.295 18818 13849 1 25 . 1 1 21 21 ALA N N 21 123.800 123.800 124.552 -0.752 18818 13850 1 25 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.184 0.236 18818 13851 1 25 . 1 1 21 21 ALA C C 21 179.300 179.300 179.217 0.083 18818 13852 1 25 . 1 1 21 21 ALA CA C 21 55.200 55.200 55.072 0.128 18818 13853 1 25 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.409 -0.509 18818 13854 1 25 . 1 1 21 21 ALA H H 21 8.060 8.060 7.848 0.212 18818 13855 1 25 . 1 1 22 22 ILE N N 22 118.200 118.200 117.912 0.288 18818 13856 1 25 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.791 -0.071 18818 13857 1 25 . 1 1 22 22 ILE C C 22 177.500 177.500 178.259 -0.759 18818 13858 1 25 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.458 0.542 18818 13859 1 25 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.750 -0.350 18818 13860 1 25 . 1 1 22 22 ILE H H 22 8.010 8.010 7.629 0.381 18818 13861 1 25 . 1 1 23 23 GLU N N 23 120.100 120.100 120.184 -0.084 18818 13862 1 25 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.100 -0.140 18818 13863 1 25 . 1 1 23 23 GLU C C 23 178.000 178.000 178.898 -0.898 18818 13864 1 25 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.007 0.293 18818 13865 1 25 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.513 -0.013 18818 13866 1 25 . 1 1 23 23 GLU H H 23 8.450 8.450 8.347 0.103 18818 13867 1 25 . 1 1 24 24 THR N N 24 117.300 117.300 116.277 1.023 18818 13868 1 25 . 1 1 24 24 THR HA H 24 4.010 4.010 4.097 -0.087 18818 13869 1 25 . 1 1 24 24 THR C C 24 177.000 177.000 176.841 0.159 18818 13870 1 25 . 1 1 24 24 THR CA C 24 67.100 67.100 67.371 -0.271 18818 13871 1 25 . 1 1 24 24 THR CB C 24 68.200 68.200 68.733 -0.533 18818 13872 1 25 . 1 1 24 24 THR H H 24 8.720 8.720 8.334 0.386 18818 13873 1 25 . 1 1 25 25 LEU N N 25 123.400 123.400 118.332 5.068 18818 13874 1 25 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.540 -0.260 18818 13875 1 25 . 1 1 25 25 LEU C C 25 178.200 178.200 178.480 -0.280 18818 13876 1 25 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.801 1.499 18818 13877 1 25 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.700 -0.000 18818 13878 1 25 . 1 1 25 25 LEU H H 25 8.150 8.150 7.456 0.694 18818 13879 1 25 . 1 1 26 26 ILE N N 26 119.500 119.500 121.521 -2.021 18818 13880 1 25 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.837 0.163 18818 13881 1 25 . 1 1 26 26 ILE C C 26 177.900 177.900 178.573 -0.673 18818 13882 1 25 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.635 0.466 18818 13883 1 25 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.713 0.587 18818 13884 1 25 . 1 1 26 26 ILE H H 26 8.510 8.510 7.910 0.600 18818 13885 1 25 . 1 1 27 27 LYS N N 27 120.500 120.500 118.572 1.928 18818 13886 1 25 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.190 -0.040 18818 13887 1 25 . 1 1 27 27 LYS C C 27 179.600 179.600 179.243 0.357 18818 13888 1 25 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.401 0.699 18818 13889 1 25 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.668 0.332 18818 13890 1 25 . 1 1 27 27 LYS H H 27 9.000 9.000 8.776 0.224 18818 13891 1 25 . 1 1 28 28 ASN N N 28 117.300 117.300 117.463 -0.163 18818 13892 1 25 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.635 -0.075 18818 13893 1 25 . 1 1 28 28 ASN C C 28 176.000 176.000 177.484 -1.484 18818 13894 1 25 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.101 1.599 18818 13895 1 25 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.546 1.754 18818 13896 1 25 . 1 1 28 28 ASN H H 28 7.990 7.990 7.664 0.326 18818 13897 1 25 . 1 1 29 29 PHE N N 29 119.100 119.100 121.885 -2.785 18818 13898 1 25 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.310 0.600 18818 13899 1 25 . 1 1 29 29 PHE C C 29 176.200 176.200 176.953 -0.753 18818 13900 1 25 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.392 -0.192 18818 13901 1 25 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.328 0.272 18818 13902 1 25 . 1 1 29 29 PHE H H 29 7.990 7.990 7.795 0.195 18818 13903 1 25 . 1 1 30 30 HIS N N 30 114.700 114.700 117.020 -2.320 18818 13904 1 25 . 1 1 30 30 HIS HA H 30 4.320 4.320 3.936 0.384 18818 13905 1 25 . 1 1 30 30 HIS C C 30 177.400 177.400 177.823 -0.423 18818 13906 1 25 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.637 -1.137 18818 13907 1 25 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.599 0.001 18818 13908 1 25 . 1 1 30 30 HIS H H 30 8.180 8.180 7.514 0.666 18818 13909 1 25 . 1 1 31 31 GLN N N 31 118.500 118.500 117.766 0.734 18818 13910 1 25 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.057 0.023 18818 13911 1 25 . 1 1 31 31 GLN C C 31 176.600 176.600 178.487 -1.887 18818 13912 1 25 . 1 1 31 31 GLN CA C 31 57.800 57.800 58.229 -0.429 18818 13913 1 25 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.395 0.005 18818 13914 1 25 . 1 1 31 31 GLN H H 31 8.280 8.280 8.480 -0.200 18818 13915 1 25 . 1 1 32 32 TYR N N 32 115.700 115.700 118.895 -3.195 18818 13916 1 25 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.321 -0.111 18818 13917 1 25 . 1 1 32 32 TYR C C 32 174.800 174.800 176.437 -1.637 18818 13918 1 25 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.560 0.140 18818 13919 1 25 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.162 -0.462 18818 13920 1 25 . 1 1 32 32 TYR H H 32 7.410 7.410 7.929 -0.519 18818 13921 1 25 . 1 1 33 33 SER N N 33 114.000 114.000 115.489 -1.489 18818 13922 1 25 . 1 1 33 33 SER HA H 33 4.530 4.530 4.369 0.161 18818 13923 1 25 . 1 1 33 33 SER C C 33 175.000 175.000 174.621 0.379 18818 13924 1 25 . 1 1 33 33 SER CA C 33 57.200 57.200 57.906 -0.706 18818 13925 1 25 . 1 1 33 33 SER CB C 33 63.200 63.200 61.277 1.923 18818 13926 1 25 . 1 1 33 33 SER H H 33 7.260 7.260 7.535 -0.275 18818 13927 1 25 . 1 1 34 34 VAL N N 34 126.600 126.600 127.303 -0.703 18818 13928 1 25 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.895 0.115 18818 13929 1 25 . 1 1 34 34 VAL C C 34 177.800 177.800 176.444 1.356 18818 13930 1 25 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.709 -0.309 18818 13931 1 25 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.139 -0.039 18818 13932 1 25 . 1 1 34 34 VAL H H 34 8.490 8.490 8.465 0.025 18818 13933 1 25 . 1 1 35 35 GLU N N 35 122.100 122.100 119.354 2.746 18818 13934 1 25 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.322 -0.072 18818 13935 1 25 . 1 1 35 35 GLU C C 35 177.800 177.800 178.323 -0.523 18818 13936 1 25 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.199 0.301 18818 13937 1 25 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.979 -1.179 18818 13938 1 25 . 1 1 35 35 GLU H H 35 8.980 8.980 8.542 0.438 18818 13939 1 25 . 1 1 36 36 GLY N N 36 108.500 108.500 108.336 0.164 18818 13940 1 25 . 1 1 36 36 GLY C C 36 175.000 175.000 174.495 0.505 18818 13941 1 25 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.687 -0.387 18818 13942 1 25 . 1 1 36 36 GLY H H 36 8.490 8.490 8.197 0.293 18818 13943 1 25 . 1 1 37 37 GLY N N 37 108.700 108.700 108.045 0.655 18818 13944 1 25 . 1 1 37 37 GLY C C 37 174.100 174.100 175.036 -0.936 18818 13945 1 25 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.378 1.422 18818 13946 1 25 . 1 1 37 37 GLY H H 37 8.140 8.140 7.641 0.499 18818 13947 1 25 . 1 1 38 38 LYS N N 38 118.000 118.000 124.044 -6.044 18818 13948 1 25 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.976 0.494 18818 13949 1 25 . 1 1 38 38 LYS C C 38 176.000 176.000 176.850 -0.850 18818 13950 1 25 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.016 -1.916 18818 13951 1 25 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.318 0.382 18818 13952 1 25 . 1 1 38 38 LYS H H 38 8.050 8.050 8.706 -0.656 18818 13953 1 25 . 1 1 39 39 GLU N N 39 118.100 118.100 115.826 2.274 18818 13954 1 25 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.725 -0.165 18818 13955 1 25 . 1 1 39 39 GLU C C 39 175.600 175.600 176.657 -1.057 18818 13956 1 25 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.184 0.616 18818 13957 1 25 . 1 1 39 39 GLU CB C 39 30.200 30.200 28.705 1.495 18818 13958 1 25 . 1 1 39 39 GLU H H 39 8.630 8.630 8.507 0.123 18818 13959 1 25 . 1 1 40 40 THR N N 40 108.100 108.100 111.007 -2.907 18818 13960 1 25 . 1 1 40 40 THR HA H 40 5.160 5.160 4.912 0.248 18818 13961 1 25 . 1 1 40 40 THR C C 40 173.400 173.400 172.566 0.834 18818 13962 1 25 . 1 1 40 40 THR CA C 40 59.300 59.300 60.700 -1.400 18818 13963 1 25 . 1 1 40 40 THR CB C 40 72.100 72.100 71.892 0.208 18818 13964 1 25 . 1 1 40 40 THR H H 40 7.490 7.490 8.074 -0.584 18818 13965 1 25 . 1 1 41 41 LEU N N 41 120.700 120.700 119.171 1.529 18818 13966 1 25 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.622 0.418 18818 13967 1 25 . 1 1 41 41 LEU C C 41 177.000 177.000 175.206 1.794 18818 13968 1 25 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.718 -0.418 18818 13969 1 25 . 1 1 41 41 LEU CB C 41 45.300 45.300 46.704 -1.404 18818 13970 1 25 . 1 1 41 41 LEU H H 41 8.660 8.660 8.358 0.302 18818 13971 1 25 . 1 1 42 42 THR N N 42 113.500 113.500 109.438 4.062 18818 13972 1 25 . 1 1 42 42 THR HA H 42 5.000 5.000 4.974 0.026 18818 13973 1 25 . 1 1 42 42 THR C C 42 174.100 174.100 173.608 0.492 18818 13974 1 25 . 1 1 42 42 THR CA C 42 59.800 59.800 58.625 1.175 18818 13975 1 25 . 1 1 42 42 THR CB C 42 68.100 68.100 69.984 -1.884 18818 13976 1 25 . 1 1 42 42 THR H H 42 9.130 9.130 7.766 1.364 18818 13977 1 25 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.293 -0.143 18818 13978 1 25 . 1 1 43 43 PRO C C 43 178.600 178.600 178.374 0.226 18818 13979 1 25 . 1 1 43 43 PRO CA C 43 66.200 66.200 66.109 0.091 18818 13980 1 25 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.762 -0.062 18818 13981 1 25 . 1 1 44 44 SER N N 44 111.600 111.600 111.225 0.375 18818 13982 1 25 . 1 1 44 44 SER HA H 44 4.170 4.170 4.214 -0.044 18818 13983 1 25 . 1 1 44 44 SER C C 44 176.200 176.200 175.711 0.489 18818 13984 1 25 . 1 1 44 44 SER CA C 44 61.500 61.500 62.179 -0.679 18818 13985 1 25 . 1 1 44 44 SER CB C 44 62.200 62.200 62.858 -0.658 18818 13986 1 25 . 1 1 44 44 SER H H 44 8.090 8.090 8.777 -0.687 18818 13987 1 25 . 1 1 45 45 GLU N N 45 123.900 123.900 120.305 3.595 18818 13988 1 25 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.364 -0.104 18818 13989 1 25 . 1 1 45 45 GLU C C 45 179.000 179.000 178.023 0.977 18818 13990 1 25 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.535 1.565 18818 13991 1 25 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.878 -0.178 18818 13992 1 25 . 1 1 45 45 GLU H H 45 7.700 7.700 7.692 0.008 18818 13993 1 25 . 1 1 46 46 LEU N N 46 118.900 118.900 123.106 -4.206 18818 13994 1 25 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.062 0.018 18818 13995 1 25 . 1 1 46 46 LEU C C 46 177.600 177.600 178.597 -0.997 18818 13996 1 25 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.118 -0.818 18818 13997 1 25 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.197 -1.297 18818 13998 1 25 . 1 1 46 46 LEU H H 46 8.400 8.400 8.481 -0.081 18818 13999 1 25 . 1 1 47 47 ARG N N 47 119.300 119.300 116.017 3.283 18818 14000 1 25 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.013 -0.243 18818 14001 1 25 . 1 1 47 47 ARG C C 47 178.900 178.900 178.318 0.582 18818 14002 1 25 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.724 1.276 18818 14003 1 25 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.271 -0.271 18818 14004 1 25 . 1 1 47 47 ARG H H 47 8.260 8.260 8.165 0.095 18818 14005 1 25 . 1 1 48 48 ASP N N 48 122.300 122.300 120.352 1.948 18818 14006 1 25 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.526 -0.096 18818 14007 1 25 . 1 1 48 48 ASP C C 48 176.700 176.700 178.080 -1.380 18818 14008 1 25 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.251 0.249 18818 14009 1 25 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.114 -1.714 18818 14010 1 25 . 1 1 48 48 ASP H H 48 8.160 8.160 7.845 0.315 18818 14011 1 25 . 1 1 49 49 LEU N N 49 122.600 122.600 119.259 3.341 18818 14012 1 25 . 1 1 49 49 LEU HA H 49 3.170 3.170 4.102 -0.932 18818 14013 1 25 . 1 1 49 49 LEU C C 49 179.100 179.100 178.193 0.907 18818 14014 1 25 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.571 1.429 18818 14015 1 25 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.392 -0.093 18818 14016 1 25 . 1 1 49 49 LEU H H 49 7.980 7.980 7.646 0.334 18818 14017 1 25 . 1 1 50 50 VAL N N 50 118.200 118.200 119.783 -1.583 18818 14018 1 25 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.650 -0.100 18818 14019 1 25 . 1 1 50 50 VAL C C 50 178.800 178.800 178.304 0.496 18818 14020 1 25 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.910 -0.510 18818 14021 1 25 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.088 0.412 18818 14022 1 25 . 1 1 50 50 VAL H H 50 8.390 8.390 7.997 0.393 18818 14023 1 25 . 1 1 51 51 THR N N 51 115.000 115.000 112.823 2.177 18818 14024 1 25 . 1 1 51 51 THR HA H 51 3.990 3.990 4.197 -0.207 18818 14025 1 25 . 1 1 51 51 THR C C 51 176.000 176.000 175.805 0.195 18818 14026 1 25 . 1 1 51 51 THR CA C 51 65.800 65.800 64.818 0.982 18818 14027 1 25 . 1 1 51 51 THR CB C 51 68.900 68.900 68.604 0.296 18818 14028 1 25 . 1 1 51 51 THR H H 51 8.480 8.480 7.573 0.907 18818 14029 1 25 . 1 1 52 52 GLN N N 52 116.400 116.400 119.128 -2.728 18818 14030 1 25 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.428 -0.178 18818 14031 1 25 . 1 1 52 52 GLN C C 52 178.300 178.300 177.452 0.848 18818 14032 1 25 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.607 0.193 18818 14033 1 25 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.879 -1.379 18818 14034 1 25 . 1 1 52 52 GLN H H 52 8.180 8.180 7.680 0.500 18818 14035 1 25 . 1 1 53 53 GLN N N 53 112.100 112.100 116.036 -3.936 18818 14036 1 25 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.567 0.283 18818 14037 1 25 . 1 1 53 53 GLN C C 53 176.900 176.900 176.787 0.113 18818 14038 1 25 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.449 -1.449 18818 14039 1 25 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.892 -2.492 18818 14040 1 25 . 1 1 53 53 GLN H H 53 8.490 8.490 8.206 0.284 18818 14041 1 25 . 1 1 54 54 LEU N N 54 119.800 119.800 119.588 0.212 18818 14042 1 25 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.934 0.316 18818 14043 1 25 . 1 1 54 54 LEU C C 54 176.900 176.900 174.620 2.280 18818 14044 1 25 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.811 1.089 18818 14045 1 25 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.298 0.802 18818 14046 1 25 . 1 1 54 54 LEU H H 54 7.920 7.920 7.392 0.528 18818 14047 1 25 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.647 -0.177 18818 14048 1 25 . 1 1 55 55 PRO C C 55 178.300 178.300 177.150 1.150 18818 14049 1 25 . 1 1 55 55 PRO CA C 55 65.300 65.300 63.943 1.357 18818 14050 1 25 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.586 -0.886 18818 14051 1 25 . 1 1 56 56 HIS N N 56 116.500 116.500 116.284 0.216 18818 14052 1 25 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.420 0.170 18818 14053 1 25 . 1 1 56 56 HIS C C 56 176.300 176.300 176.452 -0.152 18818 14054 1 25 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.631 -0.831 18818 14055 1 25 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.367 -1.067 18818 14056 1 25 . 1 1 56 56 HIS H H 56 9.770 9.770 8.351 1.419 18818 14057 1 25 . 1 1 57 57 LEU N N 57 116.600 116.600 119.701 -3.101 18818 14058 1 25 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.325 0.005 18818 14059 1 25 . 1 1 57 57 LEU C C 57 176.400 176.400 176.511 -0.111 18818 14060 1 25 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.920 -0.520 18818 14061 1 25 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.672 -0.172 18818 14062 1 25 . 1 1 57 57 LEU H H 57 7.830 7.830 7.960 -0.130 18818 14063 1 25 . 1 1 58 58 MET N N 58 118.000 118.000 117.904 0.096 18818 14064 1 25 . 1 1 58 58 MET HA H 58 4.540 4.540 4.840 -0.300 18818 14065 1 25 . 1 1 58 58 MET C C 58 171.600 171.600 173.768 -2.168 18818 14066 1 25 . 1 1 58 58 MET CA C 58 53.500 53.500 52.597 0.903 18818 14067 1 25 . 1 1 58 58 MET CB C 58 32.700 32.700 33.484 -0.784 18818 14068 1 25 . 1 1 58 58 MET H H 58 7.970 7.970 7.673 0.297 18818 14069 1 25 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.514 -0.064 18818 14070 1 25 . 1 1 59 59 PRO C C 59 177.400 177.400 178.470 -1.070 18818 14071 1 25 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.425 0.675 18818 14072 1 25 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.494 -0.594 18818 14073 1 25 . 1 1 60 60 SER N N 60 114.900 114.900 116.501 -1.601 18818 14074 1 25 . 1 1 60 60 SER HA H 60 4.340 4.340 4.024 0.316 18818 14075 1 25 . 1 1 60 60 SER C C 60 174.700 174.700 176.790 -2.090 18818 14076 1 25 . 1 1 60 60 SER CA C 60 59.100 59.100 62.144 -3.044 18818 14077 1 25 . 1 1 60 60 SER CB C 60 63.200 63.200 62.932 0.268 18818 14078 1 25 . 1 1 60 60 SER H H 60 8.360 8.360 8.748 -0.388 18818 14079 1 25 . 1 1 61 61 ASN N N 61 120.800 120.800 120.432 0.368 18818 14080 1 25 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.566 0.244 18818 14081 1 25 . 1 1 61 61 ASN C C 61 175.500 175.500 176.398 -0.898 18818 14082 1 25 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.907 -1.907 18818 14083 1 25 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.419 -0.519 18818 14084 1 25 . 1 1 61 61 ASN H H 61 7.990 7.990 8.608 -0.618 18818 14085 1 25 . 1 1 62 62 CYS N N 62 117.800 117.800 117.078 0.722 18818 14086 1 25 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.468 0.122 18818 14087 1 25 . 1 1 62 62 CYS C C 62 175.300 175.300 175.094 0.206 18818 14088 1 25 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.098 -0.898 18818 14089 1 25 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.056 -0.656 18818 14090 1 25 . 1 1 62 62 CYS H H 62 8.260 8.260 7.724 0.536 18818 14091 1 25 . 1 1 63 63 GLY N N 63 111.300 111.300 109.899 1.401 18818 14092 1 25 . 1 1 63 63 GLY C C 63 175.600 175.600 174.155 1.445 18818 14093 1 25 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.196 1.105 18818 14094 1 25 . 1 1 63 63 GLY H H 63 8.520 8.520 7.560 0.960 18818 14095 1 25 . 1 1 64 64 LEU N N 64 122.400 122.400 119.617 2.783 18818 14096 1 25 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.560 -0.510 18818 14097 1 25 . 1 1 64 64 LEU C C 64 177.900 177.900 178.088 -0.188 18818 14098 1 25 . 1 1 64 64 LEU CA C 64 57.600 57.600 55.061 2.539 18818 14099 1 25 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.886 0.114 18818 14100 1 25 . 1 1 64 64 LEU H H 64 7.910 7.910 8.106 -0.196 18818 14101 1 25 . 1 1 65 65 GLU N N 65 117.900 117.900 119.741 -1.841 18818 14102 1 25 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.963 -0.053 18818 14103 1 25 . 1 1 65 65 GLU C C 65 179.100 179.100 177.352 1.748 18818 14104 1 25 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.161 1.839 18818 14105 1 25 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.370 0.030 18818 14106 1 25 . 1 1 65 65 GLU H H 65 8.660 8.660 8.489 0.171 18818 14107 1 25 . 1 1 66 66 GLU N N 66 120.000 120.000 120.461 -0.461 18818 14108 1 25 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.049 0.071 18818 14109 1 25 . 1 1 66 66 GLU C C 66 178.200 178.200 178.445 -0.245 18818 14110 1 25 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.127 -0.027 18818 14111 1 25 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.198 -0.098 18818 14112 1 25 . 1 1 66 66 GLU H H 66 8.220 8.220 8.795 -0.575 18818 14113 1 25 . 1 1 67 67 LYS N N 67 119.300 119.300 117.151 2.149 18818 14114 1 25 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.080 0.060 18818 14115 1 25 . 1 1 67 67 LYS C C 67 179.400 179.400 178.291 1.109 18818 14116 1 25 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.791 1.109 18818 14117 1 25 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.237 -0.137 18818 14118 1 25 . 1 1 67 67 LYS H H 67 7.780 7.780 7.502 0.278 18818 14119 1 25 . 1 1 68 68 ILE N N 68 118.400 118.400 118.932 -0.532 18818 14120 1 25 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.975 -0.255 18818 14121 1 25 . 1 1 68 68 ILE C C 68 177.800 177.800 177.706 0.094 18818 14122 1 25 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.159 1.341 18818 14123 1 25 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.421 -1.121 18818 14124 1 25 . 1 1 68 68 ILE H H 68 8.230 8.230 7.748 0.482 18818 14125 1 25 . 1 1 69 69 ALA N N 69 122.900 122.900 123.089 -0.189 18818 14126 1 25 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.963 0.257 18818 14127 1 25 . 1 1 69 69 ALA C C 69 179.600 179.600 178.627 0.973 18818 14128 1 25 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.069 -0.669 18818 14129 1 25 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.021 -0.121 18818 14130 1 25 . 1 1 69 69 ALA H H 69 8.070 8.070 8.357 -0.287 18818 14131 1 25 . 1 1 70 70 ASN N N 70 115.400 115.400 114.921 0.479 18818 14132 1 25 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.638 0.232 18818 14133 1 25 . 1 1 70 70 ASN C C 70 176.500 176.500 176.843 -0.343 18818 14134 1 25 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.015 -0.715 18818 14135 1 25 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.188 -0.488 18818 14136 1 25 . 1 1 70 70 ASN H H 70 7.880 7.880 7.820 0.060 18818 14137 1 25 . 1 1 71 71 LEU N N 71 120.600 120.600 115.378 5.222 18818 14138 1 25 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.727 -0.397 18818 14139 1 25 . 1 1 71 71 LEU C C 71 178.300 178.300 177.962 0.338 18818 14140 1 25 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.558 0.742 18818 14141 1 25 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.117 0.183 18818 14142 1 25 . 1 1 71 71 LEU H H 71 7.820 7.820 7.766 0.054 18818 14143 1 25 . 1 1 72 72 GLY N N 72 106.800 106.800 108.169 -1.369 18818 14144 1 25 . 1 1 72 72 GLY C C 72 174.400 174.400 175.643 -1.243 18818 14145 1 25 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.842 -0.142 18818 14146 1 25 . 1 1 72 72 GLY H H 72 8.240 8.240 8.024 0.216 18818 14147 1 25 . 1 1 73 73 SER N N 73 115.600 115.600 115.319 0.281 18818 14148 1 25 . 1 1 73 73 SER HA H 73 4.570 4.570 4.239 0.331 18818 14149 1 25 . 1 1 73 73 SER C C 73 175.000 175.000 175.336 -0.336 18818 14150 1 25 . 1 1 73 73 SER CA C 73 58.900 58.900 60.823 -1.923 18818 14151 1 25 . 1 1 73 73 SER CB C 73 63.600 63.600 63.494 0.106 18818 14152 1 25 . 1 1 73 73 SER H H 73 8.220 8.220 8.354 -0.134 18818 14153 1 25 . 1 1 74 74 CYS N N 74 119.300 119.300 117.396 1.904 18818 14154 1 25 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.671 -0.021 18818 14155 1 25 . 1 1 74 74 CYS C C 74 174.500 174.500 173.332 1.168 18818 14156 1 25 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.219 -0.519 18818 14157 1 25 . 1 1 74 74 CYS CB C 74 27.700 27.700 29.953 -2.253 18818 14158 1 25 . 1 1 74 74 CYS H H 74 8.260 8.260 8.449 -0.189 18818 14159 1 25 . 1 1 75 75 ASN N N 75 120.000 120.000 119.534 0.466 18818 14160 1 25 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.886 -0.046 18818 14161 1 25 . 1 1 75 75 ASN C C 75 174.700 174.700 174.177 0.523 18818 14162 1 25 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.222 0.578 18818 14163 1 25 . 1 1 75 75 ASN CB C 75 38.900 38.900 40.208 -1.308 18818 14164 1 25 . 1 1 75 75 ASN H H 75 8.430 8.430 8.193 0.237 18818 14165 1 25 . 1 1 76 76 ASP N N 76 119.200 119.200 123.753 -4.553 18818 14166 1 25 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.781 -0.111 18818 14167 1 25 . 1 1 76 76 ASP C C 76 175.500 175.500 176.439 -0.939 18818 14168 1 25 . 1 1 76 76 ASP CA C 76 54.400 54.400 54.131 0.269 18818 14169 1 25 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.449 -0.849 18818 14170 1 25 . 1 1 76 76 ASP H H 76 8.300 8.300 8.808 -0.508 18818 14171 1 25 . 1 1 77 77 SER N N 77 112.800 112.800 115.822 -3.022 18818 14172 1 25 . 1 1 77 77 SER HA H 77 4.260 4.260 4.666 -0.406 18818 14173 1 25 . 1 1 77 77 SER C C 77 173.300 173.300 174.082 -0.782 18818 14174 1 25 . 1 1 77 77 SER CA C 77 59.000 59.000 58.855 0.145 18818 14175 1 25 . 1 1 77 77 SER CB C 77 63.100 63.100 65.316 -2.216 18818 14176 1 25 . 1 1 77 77 SER H H 77 8.220 8.220 8.494 -0.274 18818 14177 1 25 . 1 1 78 78 LYS N N 78 120.600 120.600 122.153 -1.553 18818 14178 1 25 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.628 -0.068 18818 14179 1 25 . 1 1 78 78 LYS C C 78 175.300 175.300 175.272 0.028 18818 14180 1 25 . 1 1 78 78 LYS CA C 78 55.600 55.600 55.398 0.202 18818 14181 1 25 . 1 1 78 78 LYS CB C 78 33.300 33.300 32.608 0.692 18818 14182 1 25 . 1 1 78 78 LYS H H 78 7.930 7.930 8.550 -0.620 18818 14183 1 25 . 1 1 79 79 LEU N N 79 123.700 123.700 121.765 1.935 18818 14184 1 25 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.471 0.309 18818 14185 1 25 . 1 1 79 79 LEU C C 79 176.100 176.100 177.038 -0.938 18818 14186 1 25 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.397 -0.197 18818 14187 1 25 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.335 -1.335 18818 14188 1 25 . 1 1 79 79 LEU H H 79 9.020 9.020 8.144 0.876 18818 14189 1 25 . 1 1 80 80 GLU N N 80 121.200 121.200 118.092 3.108 18818 14190 1 25 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.716 0.184 18818 14191 1 25 . 1 1 80 80 GLU C C 80 177.100 177.100 176.626 0.474 18818 14192 1 25 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.639 0.561 18818 14193 1 25 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.883 -1.283 18818 14194 1 25 . 1 1 80 80 GLU H H 80 8.630 8.630 8.160 0.470 18818 14195 1 25 . 1 1 81 81 PHE N N 81 123.500 123.500 123.234 0.266 18818 14196 1 25 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.274 0.256 18818 14197 1 25 . 1 1 81 81 PHE C C 81 177.000 177.000 176.318 0.682 18818 14198 1 25 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.848 0.452 18818 14199 1 25 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.177 -0.677 18818 14200 1 25 . 1 1 81 81 PHE H H 81 9.360 9.360 8.745 0.615 18818 14201 1 25 . 1 1 82 82 ARG N N 82 116.500 116.500 119.396 -2.896 18818 14202 1 25 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.984 0.056 18818 14203 1 25 . 1 1 82 82 ARG C C 82 178.000 178.000 178.116 -0.116 18818 14204 1 25 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.475 -0.275 18818 14205 1 25 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.747 -0.547 18818 14206 1 25 . 1 1 82 82 ARG H H 82 8.940 8.940 8.801 0.139 18818 14207 1 25 . 1 1 83 83 SER N N 83 115.700 115.700 114.490 1.210 18818 14208 1 25 . 1 1 83 83 SER HA H 83 4.510 4.510 4.262 0.248 18818 14209 1 25 . 1 1 83 83 SER C C 83 175.800 175.800 176.282 -0.482 18818 14210 1 25 . 1 1 83 83 SER CA C 83 61.700 61.700 61.784 -0.084 18818 14211 1 25 . 1 1 83 83 SER CB C 83 62.700 62.700 63.118 -0.418 18818 14212 1 25 . 1 1 83 83 SER H H 83 7.610 7.610 7.798 -0.188 18818 14213 1 25 . 1 1 84 84 PHE N N 84 122.200 122.200 122.637 -0.437 18818 14214 1 25 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.293 -0.073 18818 14215 1 25 . 1 1 84 84 PHE C C 84 175.000 175.000 176.564 -1.564 18818 14216 1 25 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.435 -0.435 18818 14217 1 25 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.437 -0.237 18818 14218 1 25 . 1 1 84 84 PHE H H 84 7.490 7.490 7.431 0.059 18818 14219 1 25 . 1 1 85 85 TRP N N 85 120.700 120.700 120.631 0.069 18818 14220 1 25 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.092 -0.332 18818 14221 1 25 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.584 -0.784 18818 14222 1 25 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.593 -0.393 18818 14223 1 25 . 1 1 85 85 TRP H H 85 8.770 8.770 7.727 1.043 18818 14224 1 25 . 1 1 86 86 GLU N N 86 119.100 119.100 117.507 1.593 18818 14225 1 25 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.877 0.203 18818 14226 1 25 . 1 1 86 86 GLU C C 86 179.100 179.100 178.895 0.205 18818 14227 1 25 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.550 -0.250 18818 14228 1 25 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.204 0.296 18818 14229 1 25 . 1 1 86 86 GLU H H 86 8.150 8.150 8.339 -0.189 18818 14230 1 25 . 1 1 87 87 LEU N N 87 120.800 120.800 118.335 2.465 18818 14231 1 25 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.080 -0.030 18818 14232 1 25 . 1 1 87 87 LEU C C 87 178.900 178.900 178.246 0.654 18818 14233 1 25 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.375 1.525 18818 14234 1 25 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.857 -0.557 18818 14235 1 25 . 1 1 87 87 LEU H H 87 7.600 7.600 7.419 0.181 18818 14236 1 25 . 1 1 88 88 ILE N N 88 115.200 115.200 120.782 -5.582 18818 14237 1 25 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.482 0.098 18818 14238 1 25 . 1 1 88 88 ILE C C 88 177.300 177.300 177.415 -0.115 18818 14239 1 25 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.904 -1.904 18818 14240 1 25 . 1 1 88 88 ILE CB C 88 35.600 35.600 37.139 -1.539 18818 14241 1 25 . 1 1 88 88 ILE H H 88 7.960 7.960 7.339 0.621 18818 14242 1 25 . 1 1 89 89 GLY N N 89 108.100 108.100 107.281 0.819 18818 14243 1 25 . 1 1 89 89 GLY C C 89 175.700 175.700 175.015 0.685 18818 14244 1 25 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.832 -1.432 18818 14245 1 25 . 1 1 89 89 GLY H H 89 7.620 7.620 7.958 -0.338 18818 14246 1 25 . 1 1 90 90 GLU N N 90 120.000 120.000 120.565 -0.565 18818 14247 1 25 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.139 -0.179 18818 14248 1 25 . 1 1 90 90 GLU C C 90 179.100 179.100 178.782 0.318 18818 14249 1 25 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.091 0.109 18818 14250 1 25 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.707 -0.907 18818 14251 1 25 . 1 1 90 90 GLU H H 90 7.410 7.410 7.578 -0.168 18818 14252 1 25 . 1 1 91 91 ALA N N 91 122.400 122.400 123.129 -0.729 18818 14253 1 25 . 1 1 91 91 ALA HA H 91 4.020 4.020 4.021 -0.001 18818 14254 1 25 . 1 1 91 91 ALA C C 91 178.700 178.700 179.383 -0.683 18818 14255 1 25 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.827 -0.827 18818 14256 1 25 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.123 -0.123 18818 14257 1 25 . 1 1 91 91 ALA H H 91 7.610 7.610 7.371 0.239 18818 14258 1 25 . 1 1 92 92 ALA N N 92 118.000 118.000 119.294 -1.294 18818 14259 1 25 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.270 -0.600 18818 14260 1 25 . 1 1 92 92 ALA C C 92 177.900 177.900 178.821 -0.921 18818 14261 1 25 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.655 0.245 18818 14262 1 25 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.406 -0.506 18818 14263 1 25 . 1 1 92 92 ALA H H 92 7.740 7.740 8.140 -0.400 18818 14264 1 25 . 1 1 93 93 LYS N N 93 114.600 114.600 118.159 -3.559 18818 14265 1 25 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.045 -0.275 18818 14266 1 25 . 1 1 93 93 LYS C C 93 177.000 177.000 178.406 -1.406 18818 14267 1 25 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.914 -1.414 18818 14268 1 25 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.667 -0.867 18818 14269 1 25 . 1 1 93 93 LYS H H 93 7.200 7.200 7.507 -0.307 18818 14270 1 25 . 1 1 94 94 SER N N 94 113.000 113.000 113.370 -0.370 18818 14271 1 25 . 1 1 94 94 SER HA H 94 4.450 4.450 4.541 -0.091 18818 14272 1 25 . 1 1 94 94 SER C C 94 174.500 174.500 174.292 0.208 18818 14273 1 25 . 1 1 94 94 SER CA C 94 58.800 58.800 59.217 -0.417 18818 14274 1 25 . 1 1 94 94 SER CB C 94 63.900 63.900 64.998 -1.098 18818 14275 1 25 . 1 1 94 94 SER H H 94 7.530 7.530 7.879 -0.349 18818 14276 1 25 . 1 1 95 95 VAL N N 95 122.100 122.100 124.006 -1.906 18818 14277 1 25 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.064 -0.124 18818 14278 1 25 . 1 1 95 95 VAL C C 95 175.400 175.400 174.805 0.595 18818 14279 1 25 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.272 0.928 18818 14280 1 25 . 1 1 95 95 VAL CB C 95 31.500 31.500 30.680 0.820 18818 14281 1 25 . 1 1 95 95 VAL H H 95 7.440 7.440 7.929 -0.489 18818 14282 1 25 . 1 1 96 96 LYS N N 96 126.300 126.300 127.315 -1.015 18818 14283 1 25 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.568 -0.168 18818 14284 1 25 . 1 1 96 96 LYS C C 96 176.000 176.000 175.173 0.827 18818 14285 1 25 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.244 0.256 18818 14286 1 25 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.802 -3.302 18818 14287 1 25 . 1 1 96 96 LYS H H 96 8.470 8.470 7.913 0.557 18818 14288 1 25 . 1 1 97 97 LEU N N 97 123.400 123.400 124.092 -0.692 18818 14289 1 25 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.518 -0.108 18818 14290 1 25 . 1 1 97 97 LEU C C 97 176.700 176.700 176.480 0.220 18818 14291 1 25 . 1 1 97 97 LEU CA C 97 54.400 54.400 54.725 -0.325 18818 14292 1 25 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.402 -0.102 18818 14293 1 25 . 1 1 97 97 LEU H H 97 8.140 8.140 8.330 -0.190 18818 14294 1 25 . 1 1 98 98 GLU N N 98 121.400 121.400 125.021 -3.621 18818 14295 1 25 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.379 -0.039 18818 14296 1 25 . 1 1 98 98 GLU C C 98 175.900 175.900 175.952 -0.052 18818 14297 1 25 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.527 -0.327 18818 14298 1 25 . 1 1 98 98 GLU CB C 98 30.100 30.100 30.179 -0.079 18818 14299 1 25 . 1 1 98 98 GLU H H 98 8.320 8.320 8.462 -0.142 18818 14300 1 25 . 1 1 99 99 ARG N N 99 122.800 122.800 124.880 -2.080 18818 14301 1 25 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.802 0.008 18818 14302 1 25 . 1 1 99 99 ARG C C 99 173.900 173.900 174.077 -0.177 18818 14303 1 25 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.488 0.112 18818 14304 1 25 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.810 -0.910 18818 14305 1 25 . 1 1 99 99 ARG H H 99 8.280 8.280 8.553 -0.273 18818 14306 1 25 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.728 -0.208 18818 14307 1 25 . 1 1 100 100 PRO C C 100 176.700 176.700 175.830 0.870 18818 14308 1 25 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.834 -0.034 18818 14309 1 25 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.508 -0.808 18818 14310 1 25 . 1 1 101 101 VAL N N 101 120.500 120.500 120.655 -0.155 18818 14311 1 25 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.453 -0.323 18818 14312 1 25 . 1 1 101 101 VAL C C 101 176.000 176.000 174.620 1.380 18818 14313 1 25 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.180 0.920 18818 14314 1 25 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.942 -1.742 18818 14315 1 25 . 1 1 101 101 VAL H H 101 8.230 8.230 8.078 0.152 18818 14316 1 25 . 1 1 102 102 ARG N N 102 124.600 124.600 124.633 -0.033 18818 14317 1 25 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.929 -0.509 18818 14318 1 25 . 1 1 102 102 ARG C C 102 176.400 176.400 175.307 1.093 18818 14319 1 25 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.530 -0.630 18818 14320 1 25 . 1 1 102 102 ARG CB C 102 30.700 30.700 32.602 -1.901 18818 14321 1 25 . 1 1 102 102 ARG H H 102 8.390 8.390 9.049 -0.659 18818 14322 1 25 . 1 1 103 103 GLY N N 103 110.400 110.400 110.890 -0.490 18818 14323 1 25 . 1 1 103 103 GLY C C 103 172.900 172.900 173.242 -0.342 18818 14324 1 25 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.341 -0.341 18818 14325 1 25 . 1 1 103 103 GLY H H 103 8.400 8.400 9.152 -0.752 18818 14326 1 26 . 1 1 5 5 ARG N N 5 124.100 124.100 122.171 1.929 18818 14327 1 26 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.547 -0.497 18818 14328 1 26 . 1 1 5 5 ARG C C 5 173.800 173.800 176.164 -2.364 18818 14329 1 26 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.978 0.022 18818 14330 1 26 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.328 -0.628 18818 14331 1 26 . 1 1 5 5 ARG H H 5 8.570 8.570 8.565 0.005 18818 14332 1 26 . 1 1 6 6 SER N N 6 117.500 117.500 117.896 -0.396 18818 14333 1 26 . 1 1 6 6 SER HA H 6 4.510 4.510 4.550 -0.040 18818 14334 1 26 . 1 1 6 6 SER C C 6 174.100 174.100 174.766 -0.666 18818 14335 1 26 . 1 1 6 6 SER CA C 6 58.000 58.000 58.662 -0.662 18818 14336 1 26 . 1 1 6 6 SER CB C 6 63.700 63.700 63.726 -0.026 18818 14337 1 26 . 1 1 6 6 SER H H 6 8.370 8.370 8.736 -0.366 18818 14338 1 26 . 1 1 7 7 ALA N N 7 125.900 125.900 124.113 1.787 18818 14339 1 26 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.403 -0.003 18818 14340 1 26 . 1 1 7 7 ALA C C 7 177.200 177.200 175.001 2.199 18818 14341 1 26 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.789 0.811 18818 14342 1 26 . 1 1 7 7 ALA CB C 7 19.000 19.000 21.099 -2.099 18818 14343 1 26 . 1 1 7 7 ALA H H 7 8.410 8.410 7.582 0.828 18818 14344 1 26 . 1 1 8 8 ASN N N 8 117.400 117.400 118.165 -0.765 18818 14345 1 26 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.834 -0.064 18818 14346 1 26 . 1 1 8 8 ASN C C 8 174.900 174.900 176.719 -1.819 18818 14347 1 26 . 1 1 8 8 ASN CA C 8 52.900 52.900 52.818 0.082 18818 14348 1 26 . 1 1 8 8 ASN CB C 8 38.800 38.800 40.886 -2.086 18818 14349 1 26 . 1 1 8 8 ASN H H 8 8.360 8.360 8.368 -0.008 18818 14350 1 26 . 1 1 9 9 ALA N N 9 124.400 124.400 126.505 -2.105 18818 14351 1 26 . 1 1 9 9 ALA HA H 9 4.350 4.350 3.692 0.658 18818 14352 1 26 . 1 1 9 9 ALA C C 9 177.800 177.800 178.123 -0.323 18818 14353 1 26 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.271 -1.571 18818 14354 1 26 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.907 0.993 18818 14355 1 26 . 1 1 9 9 ALA H H 9 8.270 8.270 8.921 -0.651 18818 14356 1 26 . 1 1 10 10 GLU N N 10 119.300 119.300 115.716 3.584 18818 14357 1 26 . 1 1 10 10 GLU HA H 10 4.310 4.310 3.749 0.561 18818 14358 1 26 . 1 1 10 10 GLU C C 10 176.400 176.400 177.065 -0.665 18818 14359 1 26 . 1 1 10 10 GLU CA C 10 56.900 56.900 59.264 -2.364 18818 14360 1 26 . 1 1 10 10 GLU CB C 10 29.600 29.600 28.558 1.042 18818 14361 1 26 . 1 1 10 10 GLU H H 10 8.470 8.470 8.341 0.129 18818 14362 1 26 . 1 1 11 11 ASP N N 11 120.600 120.600 118.169 2.431 18818 14363 1 26 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.689 -0.079 18818 14364 1 26 . 1 1 11 11 ASP C C 11 176.100 176.100 175.867 0.233 18818 14365 1 26 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.769 0.531 18818 14366 1 26 . 1 1 11 11 ASP CB C 11 40.800 40.800 42.850 -2.050 18818 14367 1 26 . 1 1 11 11 ASP H H 11 8.200 8.200 8.136 0.064 18818 14368 1 26 . 1 1 12 12 ALA N N 12 123.800 123.800 122.449 1.351 18818 14369 1 26 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.075 1.015 18818 14370 1 26 . 1 1 12 12 ALA C C 12 177.800 177.800 176.350 1.450 18818 14371 1 26 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.813 -0.313 18818 14372 1 26 . 1 1 12 12 ALA CB C 12 18.800 18.800 16.477 2.323 18818 14373 1 26 . 1 1 12 12 ALA H H 12 8.070 8.070 7.792 0.278 18818 14374 1 26 . 1 1 13 13 GLN N N 13 118.500 118.500 115.236 3.264 18818 14375 1 26 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.167 0.103 18818 14376 1 26 . 1 1 13 13 GLN C C 13 175.700 175.700 176.239 -0.539 18818 14377 1 26 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.915 -1.015 18818 14378 1 26 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.207 -0.107 18818 14379 1 26 . 1 1 13 13 GLN H H 13 8.230 8.230 8.217 0.013 18818 14380 1 26 . 1 1 14 14 GLU N N 14 120.600 120.600 118.101 2.499 18818 14381 1 26 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.313 -0.013 18818 14382 1 26 . 1 1 14 14 GLU C C 14 175.800 175.800 175.633 0.167 18818 14383 1 26 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.606 -0.806 18818 14384 1 26 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.162 0.738 18818 14385 1 26 . 1 1 14 14 GLU H H 14 8.100 8.100 8.415 -0.315 18818 14386 1 26 . 1 1 15 15 PHE N N 15 121.100 121.100 120.170 0.930 18818 14387 1 26 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.903 -0.023 18818 14388 1 26 . 1 1 15 15 PHE C C 15 176.900 176.900 176.807 0.093 18818 14389 1 26 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.325 -0.025 18818 14390 1 26 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.770 -0.470 18818 14391 1 26 . 1 1 15 15 PHE H H 15 8.030 8.030 7.452 0.578 18818 14392 1 26 . 1 1 16 16 SER N N 16 119.400 119.400 117.047 2.353 18818 14393 1 26 . 1 1 16 16 SER HA H 16 4.850 4.850 4.418 0.432 18818 14394 1 26 . 1 1 16 16 SER C C 16 174.800 174.800 175.400 -0.600 18818 14395 1 26 . 1 1 16 16 SER CA C 16 57.000 57.000 58.696 -1.696 18818 14396 1 26 . 1 1 16 16 SER CB C 16 65.600 65.600 64.453 1.147 18818 14397 1 26 . 1 1 16 16 SER H H 16 9.530 9.530 8.849 0.681 18818 14398 1 26 . 1 1 17 17 ASP N N 17 121.300 121.300 122.287 -0.987 18818 14399 1 26 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.410 0.140 18818 14400 1 26 . 1 1 17 17 ASP C C 17 179.700 179.700 178.443 1.257 18818 14401 1 26 . 1 1 17 17 ASP CA C 17 58.000 58.000 58.069 -0.069 18818 14402 1 26 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.606 -1.106 18818 14403 1 26 . 1 1 17 17 ASP H H 17 9.270 9.270 8.940 0.330 18818 14404 1 26 . 1 1 18 18 VAL N N 18 120.600 120.600 119.097 1.503 18818 14405 1 26 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.844 -0.164 18818 14406 1 26 . 1 1 18 18 VAL C C 18 176.900 176.900 176.877 0.023 18818 14407 1 26 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.922 1.578 18818 14408 1 26 . 1 1 18 18 VAL CB C 18 31.900 31.900 31.935 -0.035 18818 14409 1 26 . 1 1 18 18 VAL H H 18 8.230 8.230 7.733 0.497 18818 14410 1 26 . 1 1 19 19 GLU N N 19 121.000 121.000 119.480 1.520 18818 14411 1 26 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.101 -0.361 18818 14412 1 26 . 1 1 19 19 GLU C C 19 178.600 178.600 179.109 -0.509 18818 14413 1 26 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.310 0.690 18818 14414 1 26 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.667 -0.967 18818 14415 1 26 . 1 1 19 19 GLU H H 19 8.180 8.180 7.589 0.591 18818 14416 1 26 . 1 1 20 20 ARG N N 20 118.100 118.100 117.087 1.013 18818 14417 1 26 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.522 -0.222 18818 14418 1 26 . 1 1 20 20 ARG C C 20 178.700 178.700 178.101 0.599 18818 14419 1 26 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.230 0.870 18818 14420 1 26 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.081 -0.381 18818 14421 1 26 . 1 1 20 20 ARG H H 20 8.920 8.920 8.637 0.283 18818 14422 1 26 . 1 1 21 21 ALA N N 21 123.800 123.800 124.080 -0.280 18818 14423 1 26 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.204 0.216 18818 14424 1 26 . 1 1 21 21 ALA C C 21 179.300 179.300 179.360 -0.060 18818 14425 1 26 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.970 0.230 18818 14426 1 26 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.361 -0.461 18818 14427 1 26 . 1 1 21 21 ALA H H 21 8.060 8.060 7.595 0.465 18818 14428 1 26 . 1 1 22 22 ILE N N 22 118.200 118.200 118.438 -0.238 18818 14429 1 26 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.829 -0.109 18818 14430 1 26 . 1 1 22 22 ILE C C 22 177.500 177.500 178.008 -0.508 18818 14431 1 26 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.631 0.369 18818 14432 1 26 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.686 -0.286 18818 14433 1 26 . 1 1 22 22 ILE H H 22 8.010 8.010 7.579 0.431 18818 14434 1 26 . 1 1 23 23 GLU N N 23 120.100 120.100 120.246 -0.146 18818 14435 1 26 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.045 -0.085 18818 14436 1 26 . 1 1 23 23 GLU C C 23 178.000 178.000 179.055 -1.055 18818 14437 1 26 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.788 0.512 18818 14438 1 26 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.364 0.136 18818 14439 1 26 . 1 1 23 23 GLU H H 23 8.450 8.450 8.273 0.177 18818 14440 1 26 . 1 1 24 24 THR N N 24 117.300 117.300 116.927 0.373 18818 14441 1 26 . 1 1 24 24 THR HA H 24 4.010 4.010 4.096 -0.086 18818 14442 1 26 . 1 1 24 24 THR C C 24 177.000 177.000 177.085 -0.085 18818 14443 1 26 . 1 1 24 24 THR CA C 24 67.100 67.100 66.772 0.328 18818 14444 1 26 . 1 1 24 24 THR CB C 24 68.200 68.200 68.709 -0.509 18818 14445 1 26 . 1 1 24 24 THR H H 24 8.720 8.720 8.225 0.495 18818 14446 1 26 . 1 1 25 25 LEU N N 25 123.400 123.400 121.485 1.915 18818 14447 1 26 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.349 -0.069 18818 14448 1 26 . 1 1 25 25 LEU C C 25 178.200 178.200 179.113 -0.913 18818 14449 1 26 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.730 1.570 18818 14450 1 26 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.574 0.126 18818 14451 1 26 . 1 1 25 25 LEU H H 25 8.150 8.150 7.641 0.509 18818 14452 1 26 . 1 1 26 26 ILE N N 26 119.500 119.500 120.217 -0.717 18818 14453 1 26 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.354 0.646 18818 14454 1 26 . 1 1 26 26 ILE C C 26 177.900 177.900 178.943 -1.043 18818 14455 1 26 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.616 -0.516 18818 14456 1 26 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.734 0.566 18818 14457 1 26 . 1 1 26 26 ILE H H 26 8.510 8.510 8.138 0.372 18818 14458 1 26 . 1 1 27 27 LYS N N 27 120.500 120.500 118.720 1.780 18818 14459 1 26 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.043 0.107 18818 14460 1 26 . 1 1 27 27 LYS C C 27 179.600 179.600 179.155 0.445 18818 14461 1 26 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.675 0.425 18818 14462 1 26 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.872 0.128 18818 14463 1 26 . 1 1 27 27 LYS H H 27 9.000 9.000 8.572 0.428 18818 14464 1 26 . 1 1 28 28 ASN N N 28 117.300 117.300 117.009 0.291 18818 14465 1 26 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.752 -0.192 18818 14466 1 26 . 1 1 28 28 ASN C C 28 176.000 176.000 177.629 -1.629 18818 14467 1 26 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.843 1.857 18818 14468 1 26 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.730 1.570 18818 14469 1 26 . 1 1 28 28 ASN H H 28 7.990 7.990 8.001 -0.011 18818 14470 1 26 . 1 1 29 29 PHE N N 29 119.100 119.100 121.167 -2.067 18818 14471 1 26 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.608 0.302 18818 14472 1 26 . 1 1 29 29 PHE C C 29 176.200 176.200 176.788 -0.588 18818 14473 1 26 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.778 -0.578 18818 14474 1 26 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.745 -0.145 18818 14475 1 26 . 1 1 29 29 PHE H H 29 7.990 7.990 7.881 0.109 18818 14476 1 26 . 1 1 30 30 HIS N N 30 114.700 114.700 114.754 -0.054 18818 14477 1 26 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.486 -0.166 18818 14478 1 26 . 1 1 30 30 HIS C C 30 177.400 177.400 177.226 0.174 18818 14479 1 26 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.321 -0.821 18818 14480 1 26 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.838 -0.238 18818 14481 1 26 . 1 1 30 30 HIS H H 30 8.180 8.180 7.762 0.418 18818 14482 1 26 . 1 1 31 31 GLN N N 31 118.500 118.500 116.277 2.223 18818 14483 1 26 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.190 -0.110 18818 14484 1 26 . 1 1 31 31 GLN C C 31 176.600 176.600 176.558 0.042 18818 14485 1 26 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.423 0.377 18818 14486 1 26 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.397 0.003 18818 14487 1 26 . 1 1 31 31 GLN H H 31 8.280 8.280 8.447 -0.167 18818 14488 1 26 . 1 1 32 32 TYR N N 32 115.700 115.700 117.563 -1.863 18818 14489 1 26 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.473 -0.263 18818 14490 1 26 . 1 1 32 32 TYR C C 32 174.800 174.800 175.585 -0.785 18818 14491 1 26 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.761 0.939 18818 14492 1 26 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.160 -1.460 18818 14493 1 26 . 1 1 32 32 TYR H H 32 7.410 7.410 7.556 -0.146 18818 14494 1 26 . 1 1 33 33 SER N N 33 114.000 114.000 116.309 -2.309 18818 14495 1 26 . 1 1 33 33 SER HA H 33 4.530 4.530 4.294 0.236 18818 14496 1 26 . 1 1 33 33 SER C C 33 175.000 175.000 174.921 0.079 18818 14497 1 26 . 1 1 33 33 SER CA C 33 57.200 57.200 58.801 -1.601 18818 14498 1 26 . 1 1 33 33 SER CB C 33 63.200 63.200 61.933 1.267 18818 14499 1 26 . 1 1 33 33 SER H H 33 7.260 7.260 7.644 -0.384 18818 14500 1 26 . 1 1 34 34 VAL N N 34 126.600 126.600 127.499 -0.899 18818 14501 1 26 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.121 -0.111 18818 14502 1 26 . 1 1 34 34 VAL C C 34 177.800 177.800 176.464 1.336 18818 14503 1 26 . 1 1 34 34 VAL CA C 34 64.400 64.400 62.435 1.965 18818 14504 1 26 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.050 0.050 18818 14505 1 26 . 1 1 34 34 VAL H H 34 8.490 8.490 8.984 -0.494 18818 14506 1 26 . 1 1 35 35 GLU N N 35 122.100 122.100 119.929 2.171 18818 14507 1 26 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.161 0.089 18818 14508 1 26 . 1 1 35 35 GLU C C 35 177.800 177.800 176.499 1.301 18818 14509 1 26 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.569 -0.070 18818 14510 1 26 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.781 0.019 18818 14511 1 26 . 1 1 35 35 GLU H H 35 8.980 8.980 8.460 0.520 18818 14512 1 26 . 1 1 36 36 GLY N N 36 108.500 108.500 105.929 2.571 18818 14513 1 26 . 1 1 36 36 GLY C C 36 175.000 175.000 173.813 1.187 18818 14514 1 26 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.132 0.168 18818 14515 1 26 . 1 1 36 36 GLY H H 36 8.490 8.490 7.495 0.995 18818 14516 1 26 . 1 1 37 37 GLY N N 37 108.700 108.700 107.411 1.289 18818 14517 1 26 . 1 1 37 37 GLY C C 37 174.100 174.100 174.186 -0.086 18818 14518 1 26 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.052 0.748 18818 14519 1 26 . 1 1 37 37 GLY H H 37 8.140 8.140 8.667 -0.527 18818 14520 1 26 . 1 1 38 38 LYS N N 38 118.000 118.000 117.603 0.397 18818 14521 1 26 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.894 0.576 18818 14522 1 26 . 1 1 38 38 LYS C C 38 176.000 176.000 176.920 -0.920 18818 14523 1 26 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.558 -1.458 18818 14524 1 26 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.174 2.526 18818 14525 1 26 . 1 1 38 38 LYS H H 38 8.050 8.050 8.240 -0.190 18818 14526 1 26 . 1 1 39 39 GLU N N 39 118.100 118.100 115.987 2.113 18818 14527 1 26 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.455 0.105 18818 14528 1 26 . 1 1 39 39 GLU C C 39 175.600 175.600 176.373 -0.773 18818 14529 1 26 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.087 -0.288 18818 14530 1 26 . 1 1 39 39 GLU CB C 39 30.200 30.200 31.189 -0.989 18818 14531 1 26 . 1 1 39 39 GLU H H 39 8.630 8.630 8.568 0.062 18818 14532 1 26 . 1 1 40 40 THR N N 40 108.100 108.100 110.156 -2.056 18818 14533 1 26 . 1 1 40 40 THR HA H 40 5.160 5.160 5.136 0.024 18818 14534 1 26 . 1 1 40 40 THR C C 40 173.400 173.400 172.291 1.109 18818 14535 1 26 . 1 1 40 40 THR CA C 40 59.300 59.300 60.332 -1.032 18818 14536 1 26 . 1 1 40 40 THR CB C 40 72.100 72.100 72.586 -0.486 18818 14537 1 26 . 1 1 40 40 THR H H 40 7.490 7.490 7.531 -0.041 18818 14538 1 26 . 1 1 41 41 LEU N N 41 120.700 120.700 123.779 -3.079 18818 14539 1 26 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.440 0.600 18818 14540 1 26 . 1 1 41 41 LEU C C 41 177.000 177.000 175.762 1.238 18818 14541 1 26 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.127 0.173 18818 14542 1 26 . 1 1 41 41 LEU CB C 41 45.300 45.300 43.058 2.242 18818 14543 1 26 . 1 1 41 41 LEU H H 41 8.660 8.660 7.975 0.685 18818 14544 1 26 . 1 1 42 42 THR N N 42 113.500 113.500 116.714 -3.214 18818 14545 1 26 . 1 1 42 42 THR HA H 42 5.000 5.000 4.815 0.185 18818 14546 1 26 . 1 1 42 42 THR C C 42 174.100 174.100 173.492 0.608 18818 14547 1 26 . 1 1 42 42 THR CA C 42 59.800 59.800 58.706 1.094 18818 14548 1 26 . 1 1 42 42 THR CB C 42 68.100 68.100 70.084 -1.984 18818 14549 1 26 . 1 1 42 42 THR H H 42 9.130 9.130 7.991 1.139 18818 14550 1 26 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.099 0.051 18818 14551 1 26 . 1 1 43 43 PRO C C 43 178.600 178.600 178.430 0.170 18818 14552 1 26 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.933 0.267 18818 14553 1 26 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.717 -0.017 18818 14554 1 26 . 1 1 44 44 SER N N 44 111.600 111.600 112.524 -0.924 18818 14555 1 26 . 1 1 44 44 SER HA H 44 4.170 4.170 4.149 0.021 18818 14556 1 26 . 1 1 44 44 SER C C 44 176.200 176.200 176.135 0.065 18818 14557 1 26 . 1 1 44 44 SER CA C 44 61.500 61.500 62.010 -0.510 18818 14558 1 26 . 1 1 44 44 SER CB C 44 62.200 62.200 63.116 -0.916 18818 14559 1 26 . 1 1 44 44 SER H H 44 8.090 8.090 7.806 0.284 18818 14560 1 26 . 1 1 45 45 GLU N N 45 123.900 123.900 121.618 2.282 18818 14561 1 26 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.247 0.013 18818 14562 1 26 . 1 1 45 45 GLU C C 45 179.000 179.000 178.319 0.681 18818 14563 1 26 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.077 1.023 18818 14564 1 26 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.074 0.626 18818 14565 1 26 . 1 1 45 45 GLU H H 45 7.700 7.700 7.841 -0.141 18818 14566 1 26 . 1 1 46 46 LEU N N 46 118.900 118.900 122.666 -3.766 18818 14567 1 26 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.929 0.151 18818 14568 1 26 . 1 1 46 46 LEU C C 46 177.600 177.600 178.789 -1.189 18818 14569 1 26 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.276 -0.976 18818 14570 1 26 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.900 -1.000 18818 14571 1 26 . 1 1 46 46 LEU H H 46 8.400 8.400 8.498 -0.098 18818 14572 1 26 . 1 1 47 47 ARG N N 47 119.300 119.300 118.109 1.191 18818 14573 1 26 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.878 -0.108 18818 14574 1 26 . 1 1 47 47 ARG C C 47 178.900 178.900 178.573 0.327 18818 14575 1 26 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.954 0.046 18818 14576 1 26 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.911 -0.911 18818 14577 1 26 . 1 1 47 47 ARG H H 47 8.260 8.260 8.196 0.064 18818 14578 1 26 . 1 1 48 48 ASP N N 48 122.300 122.300 119.457 2.843 18818 14579 1 26 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.542 -0.112 18818 14580 1 26 . 1 1 48 48 ASP C C 48 176.700 176.700 178.769 -2.069 18818 14581 1 26 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.294 0.206 18818 14582 1 26 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.127 -1.727 18818 14583 1 26 . 1 1 48 48 ASP H H 48 8.160 8.160 7.751 0.409 18818 14584 1 26 . 1 1 49 49 LEU N N 49 122.600 122.600 117.734 4.866 18818 14585 1 26 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.942 -0.772 18818 14586 1 26 . 1 1 49 49 LEU C C 49 179.100 179.100 177.992 1.108 18818 14587 1 26 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.322 1.678 18818 14588 1 26 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.456 -0.156 18818 14589 1 26 . 1 1 49 49 LEU H H 49 7.980 7.980 8.036 -0.056 18818 14590 1 26 . 1 1 50 50 VAL N N 50 118.200 118.200 121.038 -2.838 18818 14591 1 26 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.636 -0.086 18818 14592 1 26 . 1 1 50 50 VAL C C 50 178.800 178.800 178.410 0.390 18818 14593 1 26 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.974 -0.574 18818 14594 1 26 . 1 1 50 50 VAL CB C 50 31.500 31.500 30.810 0.690 18818 14595 1 26 . 1 1 50 50 VAL H H 50 8.390 8.390 7.925 0.465 18818 14596 1 26 . 1 1 51 51 THR N N 51 115.000 115.000 113.525 1.475 18818 14597 1 26 . 1 1 51 51 THR HA H 51 3.990 3.990 4.162 -0.172 18818 14598 1 26 . 1 1 51 51 THR C C 51 176.000 176.000 176.284 -0.284 18818 14599 1 26 . 1 1 51 51 THR CA C 51 65.800 65.800 65.059 0.741 18818 14600 1 26 . 1 1 51 51 THR CB C 51 68.900 68.900 68.558 0.342 18818 14601 1 26 . 1 1 51 51 THR H H 51 8.480 8.480 7.552 0.928 18818 14602 1 26 . 1 1 52 52 GLN N N 52 116.400 116.400 118.755 -2.355 18818 14603 1 26 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.304 -0.054 18818 14604 1 26 . 1 1 52 52 GLN C C 52 178.300 178.300 177.379 0.921 18818 14605 1 26 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.852 -0.052 18818 14606 1 26 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.828 -1.328 18818 14607 1 26 . 1 1 52 52 GLN H H 52 8.180 8.180 8.009 0.171 18818 14608 1 26 . 1 1 53 53 GLN N N 53 112.100 112.100 115.483 -3.383 18818 14609 1 26 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.504 0.346 18818 14610 1 26 . 1 1 53 53 GLN C C 53 176.900 176.900 176.324 0.576 18818 14611 1 26 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.471 -1.470 18818 14612 1 26 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.412 -3.012 18818 14613 1 26 . 1 1 53 53 GLN H H 53 8.490 8.490 8.113 0.377 18818 14614 1 26 . 1 1 54 54 LEU N N 54 119.800 119.800 120.291 -0.491 18818 14615 1 26 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.887 0.363 18818 14616 1 26 . 1 1 54 54 LEU C C 54 176.900 176.900 174.982 1.918 18818 14617 1 26 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.612 1.288 18818 14618 1 26 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.589 0.511 18818 14619 1 26 . 1 1 54 54 LEU H H 54 7.920 7.920 7.730 0.190 18818 14620 1 26 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.433 0.037 18818 14621 1 26 . 1 1 55 55 PRO C C 55 178.300 178.300 177.645 0.655 18818 14622 1 26 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.486 0.814 18818 14623 1 26 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.777 -1.077 18818 14624 1 26 . 1 1 56 56 HIS N N 56 116.500 116.500 116.029 0.471 18818 14625 1 26 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.436 0.154 18818 14626 1 26 . 1 1 56 56 HIS C C 56 176.300 176.300 176.517 -0.217 18818 14627 1 26 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.132 -0.332 18818 14628 1 26 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.275 -0.975 18818 14629 1 26 . 1 1 56 56 HIS H H 56 9.770 9.770 8.193 1.577 18818 14630 1 26 . 1 1 57 57 LEU N N 57 116.600 116.600 119.797 -3.197 18818 14631 1 26 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.237 0.093 18818 14632 1 26 . 1 1 57 57 LEU C C 57 176.400 176.400 175.733 0.667 18818 14633 1 26 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.233 -0.833 18818 14634 1 26 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.526 -0.026 18818 14635 1 26 . 1 1 57 57 LEU H H 57 7.830 7.830 7.936 -0.106 18818 14636 1 26 . 1 1 58 58 MET N N 58 118.000 118.000 117.505 0.495 18818 14637 1 26 . 1 1 58 58 MET HA H 58 4.540 4.540 4.891 -0.351 18818 14638 1 26 . 1 1 58 58 MET C C 58 171.600 171.600 173.430 -1.830 18818 14639 1 26 . 1 1 58 58 MET CA C 58 53.500 53.500 52.959 0.541 18818 14640 1 26 . 1 1 58 58 MET CB C 58 32.700 32.700 34.607 -1.907 18818 14641 1 26 . 1 1 58 58 MET H H 58 7.970 7.970 7.856 0.114 18818 14642 1 26 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.597 -0.147 18818 14643 1 26 . 1 1 59 59 PRO C C 59 177.400 177.400 178.383 -0.983 18818 14644 1 26 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.498 0.601 18818 14645 1 26 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.357 -0.457 18818 14646 1 26 . 1 1 60 60 SER N N 60 114.900 114.900 114.691 0.209 18818 14647 1 26 . 1 1 60 60 SER HA H 60 4.340 4.340 4.189 0.151 18818 14648 1 26 . 1 1 60 60 SER C C 60 174.700 174.700 175.804 -1.104 18818 14649 1 26 . 1 1 60 60 SER CA C 60 59.100 59.100 60.208 -1.108 18818 14650 1 26 . 1 1 60 60 SER CB C 60 63.200 63.200 63.096 0.104 18818 14651 1 26 . 1 1 60 60 SER H H 60 8.360 8.360 8.670 -0.310 18818 14652 1 26 . 1 1 61 61 ASN N N 61 120.800 120.800 117.945 2.855 18818 14653 1 26 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.589 0.221 18818 14654 1 26 . 1 1 61 61 ASN C C 61 175.500 175.500 174.723 0.777 18818 14655 1 26 . 1 1 61 61 ASN CA C 61 53.000 53.000 54.537 -1.537 18818 14656 1 26 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.871 -0.971 18818 14657 1 26 . 1 1 61 61 ASN H H 61 7.990 7.990 8.294 -0.304 18818 14658 1 26 . 1 1 62 62 CYS N N 62 117.800 117.800 117.398 0.402 18818 14659 1 26 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.699 -0.109 18818 14660 1 26 . 1 1 62 62 CYS C C 62 175.300 175.300 173.662 1.638 18818 14661 1 26 . 1 1 62 62 CYS CA C 62 59.200 59.200 57.261 1.940 18818 14662 1 26 . 1 1 62 62 CYS CB C 62 27.400 27.400 31.904 -4.504 18818 14663 1 26 . 1 1 62 62 CYS H H 62 8.260 8.260 7.480 0.780 18818 14664 1 26 . 1 1 63 63 GLY N N 63 111.300 111.300 109.764 1.536 18818 14665 1 26 . 1 1 63 63 GLY C C 63 175.600 175.600 175.481 0.119 18818 14666 1 26 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.445 1.855 18818 14667 1 26 . 1 1 63 63 GLY H H 63 8.520 8.520 8.497 0.023 18818 14668 1 26 . 1 1 64 64 LEU N N 64 122.400 122.400 125.366 -2.966 18818 14669 1 26 . 1 1 64 64 LEU HA H 64 4.050 4.050 3.883 0.167 18818 14670 1 26 . 1 1 64 64 LEU C C 64 177.900 177.900 178.853 -0.953 18818 14671 1 26 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.629 -0.029 18818 14672 1 26 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.608 0.392 18818 14673 1 26 . 1 1 64 64 LEU H H 64 7.910 7.910 8.683 -0.773 18818 14674 1 26 . 1 1 65 65 GLU N N 65 117.900 117.900 117.336 0.564 18818 14675 1 26 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.874 0.036 18818 14676 1 26 . 1 1 65 65 GLU C C 65 179.100 179.100 178.279 0.821 18818 14677 1 26 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.824 1.176 18818 14678 1 26 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.497 -0.097 18818 14679 1 26 . 1 1 65 65 GLU H H 65 8.660 8.660 8.912 -0.252 18818 14680 1 26 . 1 1 66 66 GLU N N 66 120.000 120.000 120.541 -0.541 18818 14681 1 26 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.025 0.095 18818 14682 1 26 . 1 1 66 66 GLU C C 66 178.200 178.200 178.580 -0.380 18818 14683 1 26 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.082 0.018 18818 14684 1 26 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.483 -0.383 18818 14685 1 26 . 1 1 66 66 GLU H H 66 8.220 8.220 8.009 0.211 18818 14686 1 26 . 1 1 67 67 LYS N N 67 119.300 119.300 118.154 1.146 18818 14687 1 26 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.090 0.050 18818 14688 1 26 . 1 1 67 67 LYS C C 67 179.400 179.400 178.979 0.421 18818 14689 1 26 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.023 0.878 18818 14690 1 26 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.906 0.194 18818 14691 1 26 . 1 1 67 67 LYS H H 67 7.780 7.780 7.713 0.067 18818 14692 1 26 . 1 1 68 68 ILE N N 68 118.400 118.400 120.130 -1.730 18818 14693 1 26 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.693 0.027 18818 14694 1 26 . 1 1 68 68 ILE C C 68 177.800 177.800 177.588 0.212 18818 14695 1 26 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.546 -0.046 18818 14696 1 26 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.667 -0.367 18818 14697 1 26 . 1 1 68 68 ILE H H 68 8.230 8.230 7.297 0.933 18818 14698 1 26 . 1 1 69 69 ALA N N 69 122.900 122.900 121.559 1.341 18818 14699 1 26 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.038 0.182 18818 14700 1 26 . 1 1 69 69 ALA C C 69 179.600 179.600 179.345 0.255 18818 14701 1 26 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.949 -0.549 18818 14702 1 26 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.307 -0.407 18818 14703 1 26 . 1 1 69 69 ALA H H 69 8.070 8.070 8.312 -0.242 18818 14704 1 26 . 1 1 70 70 ASN N N 70 115.400 115.400 115.935 -0.535 18818 14705 1 26 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.612 0.258 18818 14706 1 26 . 1 1 70 70 ASN C C 70 176.500 176.500 177.486 -0.986 18818 14707 1 26 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.828 -0.527 18818 14708 1 26 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.631 0.069 18818 14709 1 26 . 1 1 70 70 ASN H H 70 7.880 7.880 8.136 -0.256 18818 14710 1 26 . 1 1 71 71 LEU N N 71 120.600 120.600 116.198 4.402 18818 14711 1 26 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.459 -0.129 18818 14712 1 26 . 1 1 71 71 LEU C C 71 178.300 178.300 178.066 0.234 18818 14713 1 26 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.396 0.904 18818 14714 1 26 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.450 0.849 18818 14715 1 26 . 1 1 71 71 LEU H H 71 7.820 7.820 7.366 0.454 18818 14716 1 26 . 1 1 72 72 GLY N N 72 106.800 106.800 107.318 -0.518 18818 14717 1 26 . 1 1 72 72 GLY C C 72 174.400 174.400 174.615 -0.215 18818 14718 1 26 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.973 -0.273 18818 14719 1 26 . 1 1 72 72 GLY H H 72 8.240 8.240 7.912 0.328 18818 14720 1 26 . 1 1 73 73 SER N N 73 115.600 115.600 113.564 2.036 18818 14721 1 26 . 1 1 73 73 SER HA H 73 4.570 4.570 4.710 -0.140 18818 14722 1 26 . 1 1 73 73 SER C C 73 175.000 175.000 173.133 1.867 18818 14723 1 26 . 1 1 73 73 SER CA C 73 58.900 58.900 57.691 1.210 18818 14724 1 26 . 1 1 73 73 SER CB C 73 63.600 63.600 66.519 -2.920 18818 14725 1 26 . 1 1 73 73 SER H H 73 8.220 8.220 7.847 0.373 18818 14726 1 26 . 1 1 74 74 CYS N N 74 119.300 119.300 119.786 -0.486 18818 14727 1 26 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.787 -0.137 18818 14728 1 26 . 1 1 74 74 CYS C C 74 174.500 174.500 175.813 -1.313 18818 14729 1 26 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.275 1.425 18818 14730 1 26 . 1 1 74 74 CYS CB C 74 27.700 27.700 31.411 -3.711 18818 14731 1 26 . 1 1 74 74 CYS H H 74 8.260 8.260 8.847 -0.587 18818 14732 1 26 . 1 1 75 75 ASN N N 75 120.000 120.000 120.693 -0.693 18818 14733 1 26 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.411 0.429 18818 14734 1 26 . 1 1 75 75 ASN C C 75 174.700 174.700 176.866 -2.166 18818 14735 1 26 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.812 -2.012 18818 14736 1 26 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.242 0.658 18818 14737 1 26 . 1 1 75 75 ASN H H 75 8.430 8.430 8.805 -0.375 18818 14738 1 26 . 1 1 76 76 ASP N N 76 119.200 119.200 119.384 -0.184 18818 14739 1 26 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.470 0.200 18818 14740 1 26 . 1 1 76 76 ASP C C 76 175.500 175.500 177.783 -2.283 18818 14741 1 26 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.681 -2.281 18818 14742 1 26 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.572 0.028 18818 14743 1 26 . 1 1 76 76 ASP H H 76 8.300 8.300 8.698 -0.398 18818 14744 1 26 . 1 1 77 77 SER N N 77 112.800 112.800 113.739 -0.939 18818 14745 1 26 . 1 1 77 77 SER HA H 77 4.260 4.260 4.423 -0.163 18818 14746 1 26 . 1 1 77 77 SER C C 77 173.300 173.300 174.249 -0.949 18818 14747 1 26 . 1 1 77 77 SER CA C 77 59.000 59.000 58.864 0.136 18818 14748 1 26 . 1 1 77 77 SER CB C 77 63.100 63.100 63.508 -0.408 18818 14749 1 26 . 1 1 77 77 SER H H 77 8.220 8.220 7.729 0.491 18818 14750 1 26 . 1 1 78 78 LYS N N 78 120.600 120.600 119.040 1.560 18818 14751 1 26 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.030 0.530 18818 14752 1 26 . 1 1 78 78 LYS C C 78 175.300 175.300 175.315 -0.015 18818 14753 1 26 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.239 -1.639 18818 14754 1 26 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.910 1.390 18818 14755 1 26 . 1 1 78 78 LYS H H 78 7.930 7.930 7.708 0.222 18818 14756 1 26 . 1 1 79 79 LEU N N 79 123.700 123.700 124.255 -0.555 18818 14757 1 26 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.717 0.063 18818 14758 1 26 . 1 1 79 79 LEU C C 79 176.100 176.100 175.608 0.492 18818 14759 1 26 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.147 0.053 18818 14760 1 26 . 1 1 79 79 LEU CB C 79 42.000 42.000 44.915 -2.915 18818 14761 1 26 . 1 1 79 79 LEU H H 79 9.020 9.020 8.711 0.309 18818 14762 1 26 . 1 1 80 80 GLU N N 80 121.200 121.200 121.593 -0.393 18818 14763 1 26 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.865 0.035 18818 14764 1 26 . 1 1 80 80 GLU C C 80 177.100 177.100 176.789 0.311 18818 14765 1 26 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.831 0.369 18818 14766 1 26 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.878 -1.278 18818 14767 1 26 . 1 1 80 80 GLU H H 80 8.630 8.630 8.561 0.069 18818 14768 1 26 . 1 1 81 81 PHE N N 81 123.500 123.500 123.618 -0.118 18818 14769 1 26 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.927 -0.397 18818 14770 1 26 . 1 1 81 81 PHE C C 81 177.000 177.000 177.261 -0.261 18818 14771 1 26 . 1 1 81 81 PHE CA C 81 62.300 62.300 61.664 0.636 18818 14772 1 26 . 1 1 81 81 PHE CB C 81 38.500 38.500 38.916 -0.416 18818 14773 1 26 . 1 1 81 81 PHE H H 81 9.360 9.360 8.738 0.622 18818 14774 1 26 . 1 1 82 82 ARG N N 82 116.500 116.500 118.504 -2.004 18818 14775 1 26 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.948 0.092 18818 14776 1 26 . 1 1 82 82 ARG C C 82 178.000 178.000 178.357 -0.357 18818 14777 1 26 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.063 0.137 18818 14778 1 26 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.687 -0.487 18818 14779 1 26 . 1 1 82 82 ARG H H 82 8.940 8.940 8.602 0.338 18818 14780 1 26 . 1 1 83 83 SER N N 83 115.700 115.700 113.880 1.820 18818 14781 1 26 . 1 1 83 83 SER HA H 83 4.510 4.510 4.347 0.163 18818 14782 1 26 . 1 1 83 83 SER C C 83 175.800 175.800 176.315 -0.515 18818 14783 1 26 . 1 1 83 83 SER CA C 83 61.700 61.700 60.577 1.123 18818 14784 1 26 . 1 1 83 83 SER CB C 83 62.700 62.700 63.335 -0.635 18818 14785 1 26 . 1 1 83 83 SER H H 83 7.610 7.610 7.846 -0.236 18818 14786 1 26 . 1 1 84 84 PHE N N 84 122.200 122.200 124.118 -1.918 18818 14787 1 26 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.138 0.082 18818 14788 1 26 . 1 1 84 84 PHE C C 84 175.000 175.000 176.601 -1.601 18818 14789 1 26 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.181 -1.181 18818 14790 1 26 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.321 -0.121 18818 14791 1 26 . 1 1 84 84 PHE H H 84 7.490 7.490 7.758 -0.268 18818 14792 1 26 . 1 1 85 85 TRP N N 85 120.700 120.700 119.269 1.431 18818 14793 1 26 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.003 -0.243 18818 14794 1 26 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.732 -0.932 18818 14795 1 26 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.511 -0.311 18818 14796 1 26 . 1 1 85 85 TRP H H 85 8.770 8.770 8.611 0.159 18818 14797 1 26 . 1 1 86 86 GLU N N 86 119.100 119.100 117.258 1.842 18818 14798 1 26 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.861 0.219 18818 14799 1 26 . 1 1 86 86 GLU C C 86 179.100 179.100 178.888 0.212 18818 14800 1 26 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.440 -0.140 18818 14801 1 26 . 1 1 86 86 GLU CB C 86 29.500 29.500 28.764 0.736 18818 14802 1 26 . 1 1 86 86 GLU H H 86 8.150 8.150 7.704 0.446 18818 14803 1 26 . 1 1 87 87 LEU N N 87 120.800 120.800 118.935 1.865 18818 14804 1 26 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.074 -0.024 18818 14805 1 26 . 1 1 87 87 LEU C C 87 178.900 178.900 178.483 0.417 18818 14806 1 26 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.803 1.097 18818 14807 1 26 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.903 -0.603 18818 14808 1 26 . 1 1 87 87 LEU H H 87 7.600 7.600 7.361 0.239 18818 14809 1 26 . 1 1 88 88 ILE N N 88 115.200 115.200 118.956 -3.756 18818 14810 1 26 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.517 0.063 18818 14811 1 26 . 1 1 88 88 ILE C C 88 177.300 177.300 177.447 -0.147 18818 14812 1 26 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.572 -1.572 18818 14813 1 26 . 1 1 88 88 ILE CB C 88 35.600 35.600 37.230 -1.630 18818 14814 1 26 . 1 1 88 88 ILE H H 88 7.960 7.960 6.875 1.085 18818 14815 1 26 . 1 1 89 89 GLY N N 89 108.100 108.100 107.546 0.554 18818 14816 1 26 . 1 1 89 89 GLY C C 89 175.700 175.700 174.801 0.899 18818 14817 1 26 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.832 -1.432 18818 14818 1 26 . 1 1 89 89 GLY H H 89 7.620 7.620 7.711 -0.091 18818 14819 1 26 . 1 1 90 90 GLU N N 90 120.000 120.000 120.260 -0.260 18818 14820 1 26 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.129 -0.169 18818 14821 1 26 . 1 1 90 90 GLU C C 90 179.100 179.100 178.919 0.181 18818 14822 1 26 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.890 0.310 18818 14823 1 26 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.781 -0.981 18818 14824 1 26 . 1 1 90 90 GLU H H 90 7.410 7.410 7.645 -0.235 18818 14825 1 26 . 1 1 91 91 ALA N N 91 122.400 122.400 122.933 -0.533 18818 14826 1 26 . 1 1 91 91 ALA HA H 91 4.020 4.020 4.020 -0.000 18818 14827 1 26 . 1 1 91 91 ALA C C 91 178.700 178.700 178.724 -0.024 18818 14828 1 26 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.586 -0.586 18818 14829 1 26 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.289 -0.289 18818 14830 1 26 . 1 1 91 91 ALA H H 91 7.610 7.610 7.367 0.243 18818 14831 1 26 . 1 1 92 92 ALA N N 92 118.000 118.000 118.435 -0.435 18818 14832 1 26 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.427 -0.757 18818 14833 1 26 . 1 1 92 92 ALA C C 92 177.900 177.900 178.077 -0.177 18818 14834 1 26 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.535 0.365 18818 14835 1 26 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.250 -0.350 18818 14836 1 26 . 1 1 92 92 ALA H H 92 7.740 7.740 7.923 -0.183 18818 14837 1 26 . 1 1 93 93 LYS N N 93 114.600 114.600 118.062 -3.462 18818 14838 1 26 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.253 -0.483 18818 14839 1 26 . 1 1 93 93 LYS C C 93 177.000 177.000 177.518 -0.518 18818 14840 1 26 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.916 -0.416 18818 14841 1 26 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.620 -0.820 18818 14842 1 26 . 1 1 93 93 LYS H H 93 7.200 7.200 7.885 -0.685 18818 14843 1 26 . 1 1 94 94 SER N N 94 113.000 113.000 114.383 -1.383 18818 14844 1 26 . 1 1 94 94 SER HA H 94 4.450 4.450 4.434 0.016 18818 14845 1 26 . 1 1 94 94 SER C C 94 174.500 174.500 174.258 0.242 18818 14846 1 26 . 1 1 94 94 SER CA C 94 58.800 58.800 59.901 -1.101 18818 14847 1 26 . 1 1 94 94 SER CB C 94 63.900 63.900 64.835 -0.935 18818 14848 1 26 . 1 1 94 94 SER H H 94 7.530 7.530 7.831 -0.301 18818 14849 1 26 . 1 1 95 95 VAL N N 95 122.100 122.100 121.354 0.746 18818 14850 1 26 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.279 -0.339 18818 14851 1 26 . 1 1 95 95 VAL C C 95 175.400 175.400 173.681 1.719 18818 14852 1 26 . 1 1 95 95 VAL CA C 95 63.200 63.200 60.716 2.484 18818 14853 1 26 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.590 -2.090 18818 14854 1 26 . 1 1 95 95 VAL H H 95 7.440 7.440 7.657 -0.216 18818 14855 1 26 . 1 1 96 96 LYS N N 96 126.300 126.300 126.043 0.257 18818 14856 1 26 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.612 -0.212 18818 14857 1 26 . 1 1 96 96 LYS C C 96 176.000 176.000 175.363 0.637 18818 14858 1 26 . 1 1 96 96 LYS CA C 96 55.500 55.500 55.048 0.452 18818 14859 1 26 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.080 -2.580 18818 14860 1 26 . 1 1 96 96 LYS H H 96 8.470 8.470 8.383 0.087 18818 14861 1 26 . 1 1 97 97 LEU N N 97 123.400 123.400 123.910 -0.510 18818 14862 1 26 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.464 -0.054 18818 14863 1 26 . 1 1 97 97 LEU C C 97 176.700 176.700 176.605 0.095 18818 14864 1 26 . 1 1 97 97 LEU CA C 97 54.400 54.400 54.688 -0.288 18818 14865 1 26 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.712 -0.412 18818 14866 1 26 . 1 1 97 97 LEU H H 97 8.140 8.140 8.273 -0.133 18818 14867 1 26 . 1 1 98 98 GLU N N 98 121.400 121.400 124.720 -3.320 18818 14868 1 26 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.220 0.120 18818 14869 1 26 . 1 1 98 98 GLU C C 98 175.900 175.900 175.640 0.260 18818 14870 1 26 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.636 -0.436 18818 14871 1 26 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.749 0.351 18818 14872 1 26 . 1 1 98 98 GLU H H 98 8.320 8.320 8.566 -0.246 18818 14873 1 26 . 1 1 99 99 ARG N N 99 122.800 122.800 125.149 -2.349 18818 14874 1 26 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.866 -0.056 18818 14875 1 26 . 1 1 99 99 ARG C C 99 173.900 173.900 174.439 -0.539 18818 14876 1 26 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.185 0.415 18818 14877 1 26 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.622 -0.722 18818 14878 1 26 . 1 1 99 99 ARG H H 99 8.280 8.280 8.466 -0.186 18818 14879 1 26 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.720 -0.200 18818 14880 1 26 . 1 1 100 100 PRO C C 100 176.700 176.700 175.747 0.953 18818 14881 1 26 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.908 -0.108 18818 14882 1 26 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.875 -1.175 18818 14883 1 26 . 1 1 101 101 VAL N N 101 120.500 120.500 120.792 -0.292 18818 14884 1 26 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.275 -0.145 18818 14885 1 26 . 1 1 101 101 VAL C C 101 176.000 176.000 176.027 -0.027 18818 14886 1 26 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.539 0.561 18818 14887 1 26 . 1 1 101 101 VAL CB C 101 32.200 32.200 34.989 -2.789 18818 14888 1 26 . 1 1 101 101 VAL H H 101 8.230 8.230 8.381 -0.151 18818 14889 1 26 . 1 1 102 102 ARG N N 102 124.600 124.600 124.597 0.003 18818 14890 1 26 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.641 -0.221 18818 14891 1 26 . 1 1 102 102 ARG C C 102 176.400 176.400 176.311 0.089 18818 14892 1 26 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.659 -0.759 18818 14893 1 26 . 1 1 102 102 ARG CB C 102 30.700 30.700 31.678 -0.978 18818 14894 1 26 . 1 1 102 102 ARG H H 102 8.390 8.390 9.013 -0.623 18818 14895 1 26 . 1 1 103 103 GLY N N 103 110.400 110.400 107.941 2.459 18818 14896 1 26 . 1 1 103 103 GLY C C 103 172.900 172.900 172.818 0.082 18818 14897 1 26 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.553 0.447 18818 14898 1 26 . 1 1 103 103 GLY H H 103 8.400 8.400 8.269 0.131 18818 14899 1 27 . 1 1 5 5 ARG N N 5 124.100 124.100 125.949 -1.849 18818 14900 1 27 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.391 -0.341 18818 14901 1 27 . 1 1 5 5 ARG C C 5 173.800 173.800 175.339 -1.539 18818 14902 1 27 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.022 -0.022 18818 14903 1 27 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.178 0.522 18818 14904 1 27 . 1 1 5 5 ARG H H 5 8.570 8.570 8.582 -0.012 18818 14905 1 27 . 1 1 6 6 SER N N 6 117.500 117.500 114.700 2.800 18818 14906 1 27 . 1 1 6 6 SER HA H 6 4.510 4.510 4.530 -0.020 18818 14907 1 27 . 1 1 6 6 SER C C 6 174.100 174.100 174.884 -0.784 18818 14908 1 27 . 1 1 6 6 SER CA C 6 58.000 58.000 57.658 0.342 18818 14909 1 27 . 1 1 6 6 SER CB C 6 63.700 63.700 64.314 -0.614 18818 14910 1 27 . 1 1 6 6 SER H H 6 8.370 8.370 7.665 0.705 18818 14911 1 27 . 1 1 7 7 ALA N N 7 125.900 125.900 128.455 -2.555 18818 14912 1 27 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.137 0.263 18818 14913 1 27 . 1 1 7 7 ALA C C 7 177.200 177.200 178.173 -0.973 18818 14914 1 27 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.431 0.169 18818 14915 1 27 . 1 1 7 7 ALA CB C 7 19.000 19.000 18.563 0.437 18818 14916 1 27 . 1 1 7 7 ALA H H 7 8.410 8.410 8.382 0.028 18818 14917 1 27 . 1 1 8 8 ASN N N 8 117.400 117.400 116.654 0.746 18818 14918 1 27 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.514 0.256 18818 14919 1 27 . 1 1 8 8 ASN C C 8 174.900 174.900 174.457 0.443 18818 14920 1 27 . 1 1 8 8 ASN CA C 8 52.900 52.900 52.944 -0.043 18818 14921 1 27 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.805 -0.005 18818 14922 1 27 . 1 1 8 8 ASN H H 8 8.360 8.360 8.395 -0.035 18818 14923 1 27 . 1 1 9 9 ALA N N 9 124.400 124.400 122.527 1.873 18818 14924 1 27 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.093 0.257 18818 14925 1 27 . 1 1 9 9 ALA C C 9 177.800 177.800 177.388 0.412 18818 14926 1 27 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.547 -0.848 18818 14927 1 27 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.413 0.487 18818 14928 1 27 . 1 1 9 9 ALA H H 9 8.270 8.270 8.598 -0.328 18818 14929 1 27 . 1 1 10 10 GLU N N 10 119.300 119.300 117.439 1.861 18818 14930 1 27 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.181 0.129 18818 14931 1 27 . 1 1 10 10 GLU C C 10 176.400 176.400 176.937 -0.537 18818 14932 1 27 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.525 -0.625 18818 14933 1 27 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.638 -0.038 18818 14934 1 27 . 1 1 10 10 GLU H H 10 8.470 8.470 8.695 -0.225 18818 14935 1 27 . 1 1 11 11 ASP N N 11 120.600 120.600 117.019 3.581 18818 14936 1 27 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.589 0.021 18818 14937 1 27 . 1 1 11 11 ASP C C 11 176.100 176.100 176.008 0.092 18818 14938 1 27 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.867 0.433 18818 14939 1 27 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.121 -0.321 18818 14940 1 27 . 1 1 11 11 ASP H H 11 8.200 8.200 7.837 0.363 18818 14941 1 27 . 1 1 12 12 ALA N N 12 123.800 123.800 122.834 0.966 18818 14942 1 27 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.321 0.769 18818 14943 1 27 . 1 1 12 12 ALA C C 12 177.800 177.800 178.033 -0.233 18818 14944 1 27 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.700 -1.200 18818 14945 1 27 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.111 1.689 18818 14946 1 27 . 1 1 12 12 ALA H H 12 8.070 8.070 7.862 0.208 18818 14947 1 27 . 1 1 13 13 GLN N N 13 118.500 118.500 116.646 1.854 18818 14948 1 27 . 1 1 13 13 GLN HA H 13 4.270 4.270 3.879 0.391 18818 14949 1 27 . 1 1 13 13 GLN C C 13 175.700 175.700 175.917 -0.217 18818 14950 1 27 . 1 1 13 13 GLN CA C 13 55.900 55.900 58.077 -2.177 18818 14951 1 27 . 1 1 13 13 GLN CB C 13 29.100 29.100 27.495 1.605 18818 14952 1 27 . 1 1 13 13 GLN H H 13 8.230 8.230 8.515 -0.285 18818 14953 1 27 . 1 1 14 14 GLU N N 14 120.600 120.600 118.536 2.064 18818 14954 1 27 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.304 -0.004 18818 14955 1 27 . 1 1 14 14 GLU C C 14 175.800 175.800 176.235 -0.435 18818 14956 1 27 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.420 -0.620 18818 14957 1 27 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.984 -0.084 18818 14958 1 27 . 1 1 14 14 GLU H H 14 8.100 8.100 7.856 0.244 18818 14959 1 27 . 1 1 15 15 PHE N N 15 121.100 121.100 118.884 2.216 18818 14960 1 27 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.834 0.046 18818 14961 1 27 . 1 1 15 15 PHE C C 15 176.900 176.900 177.050 -0.150 18818 14962 1 27 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.343 -0.042 18818 14963 1 27 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.005 0.295 18818 14964 1 27 . 1 1 15 15 PHE H H 15 8.030 8.030 7.526 0.504 18818 14965 1 27 . 1 1 16 16 SER N N 16 119.400 119.400 118.122 1.278 18818 14966 1 27 . 1 1 16 16 SER HA H 16 4.850 4.850 4.404 0.447 18818 14967 1 27 . 1 1 16 16 SER C C 16 174.800 174.800 175.653 -0.853 18818 14968 1 27 . 1 1 16 16 SER CA C 16 57.000 57.000 57.553 -0.553 18818 14969 1 27 . 1 1 16 16 SER CB C 16 65.600 65.600 64.626 0.974 18818 14970 1 27 . 1 1 16 16 SER H H 16 9.530 9.530 8.682 0.848 18818 14971 1 27 . 1 1 17 17 ASP N N 17 121.300 121.300 123.416 -2.116 18818 14972 1 27 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.465 0.085 18818 14973 1 27 . 1 1 17 17 ASP C C 17 179.700 179.700 177.804 1.896 18818 14974 1 27 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.212 0.788 18818 14975 1 27 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.711 -1.211 18818 14976 1 27 . 1 1 17 17 ASP H H 17 9.270 9.270 8.982 0.288 18818 14977 1 27 . 1 1 18 18 VAL N N 18 120.600 120.600 119.297 1.303 18818 14978 1 27 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.853 -0.173 18818 14979 1 27 . 1 1 18 18 VAL C C 18 176.900 176.900 177.011 -0.111 18818 14980 1 27 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.342 1.158 18818 14981 1 27 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.276 -0.376 18818 14982 1 27 . 1 1 18 18 VAL H H 18 8.230 8.230 7.894 0.336 18818 14983 1 27 . 1 1 19 19 GLU N N 19 121.000 121.000 119.679 1.321 18818 14984 1 27 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.057 -0.317 18818 14985 1 27 . 1 1 19 19 GLU C C 19 178.600 178.600 179.219 -0.619 18818 14986 1 27 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.504 0.496 18818 14987 1 27 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.352 -0.652 18818 14988 1 27 . 1 1 19 19 GLU H H 19 8.180 8.180 7.847 0.333 18818 14989 1 27 . 1 1 20 20 ARG N N 20 118.100 118.100 118.051 0.049 18818 14990 1 27 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.562 -0.262 18818 14991 1 27 . 1 1 20 20 ARG C C 20 178.700 178.700 178.582 0.118 18818 14992 1 27 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.871 0.229 18818 14993 1 27 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.191 -0.491 18818 14994 1 27 . 1 1 20 20 ARG H H 20 8.920 8.920 8.794 0.126 18818 14995 1 27 . 1 1 21 21 ALA N N 21 123.800 123.800 123.067 0.733 18818 14996 1 27 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.241 0.179 18818 14997 1 27 . 1 1 21 21 ALA C C 21 179.300 179.300 179.457 -0.157 18818 14998 1 27 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.861 0.339 18818 14999 1 27 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.541 -0.641 18818 15000 1 27 . 1 1 21 21 ALA H H 21 8.060 8.060 7.714 0.346 18818 15001 1 27 . 1 1 22 22 ILE N N 22 118.200 118.200 119.605 -1.405 18818 15002 1 27 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.719 0.001 18818 15003 1 27 . 1 1 22 22 ILE C C 22 177.500 177.500 177.921 -0.421 18818 15004 1 27 . 1 1 22 22 ILE CA C 22 66.000 66.000 66.118 -0.118 18818 15005 1 27 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.738 -0.338 18818 15006 1 27 . 1 1 22 22 ILE H H 22 8.010 8.010 8.216 -0.206 18818 15007 1 27 . 1 1 23 23 GLU N N 23 120.100 120.100 119.888 0.212 18818 15008 1 27 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.055 -0.095 18818 15009 1 27 . 1 1 23 23 GLU C C 23 178.000 178.000 179.013 -1.013 18818 15010 1 27 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.251 0.049 18818 15011 1 27 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.614 -0.115 18818 15012 1 27 . 1 1 23 23 GLU H H 23 8.450 8.450 7.877 0.573 18818 15013 1 27 . 1 1 24 24 THR N N 24 117.300 117.300 116.658 0.642 18818 15014 1 27 . 1 1 24 24 THR HA H 24 4.010 4.010 4.193 -0.183 18818 15015 1 27 . 1 1 24 24 THR C C 24 177.000 177.000 176.915 0.085 18818 15016 1 27 . 1 1 24 24 THR CA C 24 67.100 67.100 67.148 -0.048 18818 15017 1 27 . 1 1 24 24 THR CB C 24 68.200 68.200 68.566 -0.366 18818 15018 1 27 . 1 1 24 24 THR H H 24 8.720 8.720 7.859 0.861 18818 15019 1 27 . 1 1 25 25 LEU N N 25 123.400 123.400 121.609 1.791 18818 15020 1 27 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.277 0.003 18818 15021 1 27 . 1 1 25 25 LEU C C 25 178.200 178.200 178.854 -0.654 18818 15022 1 27 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.810 1.490 18818 15023 1 27 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.403 0.298 18818 15024 1 27 . 1 1 25 25 LEU H H 25 8.150 8.150 7.982 0.168 18818 15025 1 27 . 1 1 26 26 ILE N N 26 119.500 119.500 121.190 -1.690 18818 15026 1 27 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.961 0.039 18818 15027 1 27 . 1 1 26 26 ILE C C 26 177.900 177.900 178.639 -0.739 18818 15028 1 27 . 1 1 26 26 ILE CA C 26 64.100 64.100 66.063 -1.963 18818 15029 1 27 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.960 -0.660 18818 15030 1 27 . 1 1 26 26 ILE H H 26 8.510 8.510 8.565 -0.055 18818 15031 1 27 . 1 1 27 27 LYS N N 27 120.500 120.500 118.246 2.254 18818 15032 1 27 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.142 0.008 18818 15033 1 27 . 1 1 27 27 LYS C C 27 179.600 179.600 179.476 0.124 18818 15034 1 27 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.363 0.737 18818 15035 1 27 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.808 0.192 18818 15036 1 27 . 1 1 27 27 LYS H H 27 9.000 9.000 8.572 0.428 18818 15037 1 27 . 1 1 28 28 ASN N N 28 117.300 117.300 116.487 0.813 18818 15038 1 27 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.696 -0.136 18818 15039 1 27 . 1 1 28 28 ASN C C 28 176.000 176.000 177.359 -1.359 18818 15040 1 27 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.896 1.804 18818 15041 1 27 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.849 1.451 18818 15042 1 27 . 1 1 28 28 ASN H H 28 7.990 7.990 7.910 0.080 18818 15043 1 27 . 1 1 29 29 PHE N N 29 119.100 119.100 121.774 -2.674 18818 15044 1 27 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.540 0.370 18818 15045 1 27 . 1 1 29 29 PHE C C 29 176.200 176.200 177.481 -1.281 18818 15046 1 27 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.295 -0.095 18818 15047 1 27 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.771 -0.171 18818 15048 1 27 . 1 1 29 29 PHE H H 29 7.990 7.990 8.187 -0.197 18818 15049 1 27 . 1 1 30 30 HIS N N 30 114.700 114.700 117.268 -2.568 18818 15050 1 27 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.590 -0.270 18818 15051 1 27 . 1 1 30 30 HIS C C 30 177.400 177.400 176.726 0.674 18818 15052 1 27 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.112 -0.612 18818 15053 1 27 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.626 -0.026 18818 15054 1 27 . 1 1 30 30 HIS H H 30 8.180 8.180 7.657 0.523 18818 15055 1 27 . 1 1 31 31 GLN N N 31 118.500 118.500 116.467 2.033 18818 15056 1 27 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.077 0.003 18818 15057 1 27 . 1 1 31 31 GLN C C 31 176.600 176.600 176.818 -0.218 18818 15058 1 27 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.849 -0.049 18818 15059 1 27 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.152 -0.752 18818 15060 1 27 . 1 1 31 31 GLN H H 31 8.280 8.280 8.169 0.111 18818 15061 1 27 . 1 1 32 32 TYR N N 32 115.700 115.700 116.082 -0.382 18818 15062 1 27 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.484 -0.274 18818 15063 1 27 . 1 1 32 32 TYR C C 32 174.800 174.800 177.188 -2.388 18818 15064 1 27 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.278 0.422 18818 15065 1 27 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.695 -1.995 18818 15066 1 27 . 1 1 32 32 TYR H H 32 7.410 7.410 7.507 -0.097 18818 15067 1 27 . 1 1 33 33 SER N N 33 114.000 114.000 118.266 -4.266 18818 15068 1 27 . 1 1 33 33 SER HA H 33 4.530 4.530 4.525 0.005 18818 15069 1 27 . 1 1 33 33 SER C C 33 175.000 175.000 175.175 -0.175 18818 15070 1 27 . 1 1 33 33 SER CA C 33 57.200 57.200 58.849 -1.649 18818 15071 1 27 . 1 1 33 33 SER CB C 33 63.200 63.200 60.996 2.204 18818 15072 1 27 . 1 1 33 33 SER H H 33 7.260 7.260 8.152 -0.892 18818 15073 1 27 . 1 1 34 34 VAL N N 34 126.600 126.600 118.074 8.526 18818 15074 1 27 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.819 0.191 18818 15075 1 27 . 1 1 34 34 VAL C C 34 177.800 177.800 177.013 0.787 18818 15076 1 27 . 1 1 34 34 VAL CA C 34 64.400 64.400 65.382 -0.982 18818 15077 1 27 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.461 0.639 18818 15078 1 27 . 1 1 34 34 VAL H H 34 8.490 8.490 7.656 0.834 18818 15079 1 27 . 1 1 35 35 GLU N N 35 122.100 122.100 119.523 2.577 18818 15080 1 27 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.205 0.045 18818 15081 1 27 . 1 1 35 35 GLU C C 35 177.800 177.800 178.332 -0.532 18818 15082 1 27 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.694 -0.194 18818 15083 1 27 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.972 -0.172 18818 15084 1 27 . 1 1 35 35 GLU H H 35 8.980 8.980 8.393 0.587 18818 15085 1 27 . 1 1 36 36 GLY N N 36 108.500 108.500 105.562 2.938 18818 15086 1 27 . 1 1 36 36 GLY C C 36 175.000 175.000 175.151 -0.151 18818 15087 1 27 . 1 1 36 36 GLY CA C 36 45.300 45.300 45.452 -0.152 18818 15088 1 27 . 1 1 36 36 GLY H H 36 8.490 8.490 8.380 0.110 18818 15089 1 27 . 1 1 37 37 GLY N N 37 108.700 108.700 108.181 0.519 18818 15090 1 27 . 1 1 37 37 GLY C C 37 174.100 174.100 174.755 -0.655 18818 15091 1 27 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.118 0.682 18818 15092 1 27 . 1 1 37 37 GLY H H 37 8.140 8.140 7.594 0.546 18818 15093 1 27 . 1 1 38 38 LYS N N 38 118.000 118.000 112.542 5.458 18818 15094 1 27 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.814 0.656 18818 15095 1 27 . 1 1 38 38 LYS C C 38 176.000 176.000 176.212 -0.212 18818 15096 1 27 . 1 1 38 38 LYS CA C 38 56.100 56.100 57.998 -1.898 18818 15097 1 27 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.250 1.450 18818 15098 1 27 . 1 1 38 38 LYS H H 38 8.050 8.050 8.275 -0.225 18818 15099 1 27 . 1 1 39 39 GLU N N 39 118.100 118.100 115.221 2.879 18818 15100 1 27 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.804 -0.244 18818 15101 1 27 . 1 1 39 39 GLU C C 39 175.600 175.600 174.734 0.866 18818 15102 1 27 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.322 0.478 18818 15103 1 27 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.934 -0.734 18818 15104 1 27 . 1 1 39 39 GLU H H 39 8.630 8.630 8.517 0.113 18818 15105 1 27 . 1 1 40 40 THR N N 40 108.100 108.100 108.815 -0.715 18818 15106 1 27 . 1 1 40 40 THR HA H 40 5.160 5.160 4.819 0.341 18818 15107 1 27 . 1 1 40 40 THR C C 40 173.400 173.400 173.079 0.321 18818 15108 1 27 . 1 1 40 40 THR CA C 40 59.300 59.300 59.968 -0.668 18818 15109 1 27 . 1 1 40 40 THR CB C 40 72.100 72.100 71.296 0.804 18818 15110 1 27 . 1 1 40 40 THR H H 40 7.490 7.490 7.405 0.085 18818 15111 1 27 . 1 1 41 41 LEU N N 41 120.700 120.700 121.805 -1.105 18818 15112 1 27 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.676 0.364 18818 15113 1 27 . 1 1 41 41 LEU C C 41 177.000 177.000 175.202 1.798 18818 15114 1 27 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.520 -0.220 18818 15115 1 27 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.328 -0.028 18818 15116 1 27 . 1 1 41 41 LEU H H 41 8.660 8.660 8.775 -0.115 18818 15117 1 27 . 1 1 42 42 THR N N 42 113.500 113.500 110.967 2.533 18818 15118 1 27 . 1 1 42 42 THR HA H 42 5.000 5.000 4.934 0.066 18818 15119 1 27 . 1 1 42 42 THR C C 42 174.100 174.100 173.663 0.437 18818 15120 1 27 . 1 1 42 42 THR CA C 42 59.800 59.800 58.024 1.776 18818 15121 1 27 . 1 1 42 42 THR CB C 42 68.100 68.100 70.494 -2.394 18818 15122 1 27 . 1 1 42 42 THR H H 42 9.130 9.130 8.121 1.009 18818 15123 1 27 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.220 -0.070 18818 15124 1 27 . 1 1 43 43 PRO C C 43 178.600 178.600 178.855 -0.255 18818 15125 1 27 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.652 0.548 18818 15126 1 27 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.677 0.023 18818 15127 1 27 . 1 1 44 44 SER N N 44 111.600 111.600 113.968 -2.368 18818 15128 1 27 . 1 1 44 44 SER HA H 44 4.170 4.170 4.190 -0.020 18818 15129 1 27 . 1 1 44 44 SER C C 44 176.200 176.200 176.265 -0.065 18818 15130 1 27 . 1 1 44 44 SER CA C 44 61.500 61.500 61.565 -0.065 18818 15131 1 27 . 1 1 44 44 SER CB C 44 62.200 62.200 62.737 -0.537 18818 15132 1 27 . 1 1 44 44 SER H H 44 8.090 8.090 8.731 -0.641 18818 15133 1 27 . 1 1 45 45 GLU N N 45 123.900 123.900 121.212 2.688 18818 15134 1 27 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.249 0.011 18818 15135 1 27 . 1 1 45 45 GLU C C 45 179.000 179.000 178.477 0.523 18818 15136 1 27 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.185 0.915 18818 15137 1 27 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.433 0.267 18818 15138 1 27 . 1 1 45 45 GLU H H 45 7.700 7.700 7.721 -0.021 18818 15139 1 27 . 1 1 46 46 LEU N N 46 118.900 118.900 122.694 -3.794 18818 15140 1 27 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.885 0.195 18818 15141 1 27 . 1 1 46 46 LEU C C 46 177.600 177.600 178.755 -1.155 18818 15142 1 27 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.355 -1.055 18818 15143 1 27 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.906 -1.006 18818 15144 1 27 . 1 1 46 46 LEU H H 46 8.400 8.400 8.482 -0.082 18818 15145 1 27 . 1 1 47 47 ARG N N 47 119.300 119.300 118.012 1.288 18818 15146 1 27 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.849 -0.079 18818 15147 1 27 . 1 1 47 47 ARG C C 47 178.900 178.900 178.408 0.492 18818 15148 1 27 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.893 0.107 18818 15149 1 27 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.849 -0.849 18818 15150 1 27 . 1 1 47 47 ARG H H 47 8.260 8.260 8.187 0.073 18818 15151 1 27 . 1 1 48 48 ASP N N 48 122.300 122.300 119.186 3.114 18818 15152 1 27 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.451 -0.021 18818 15153 1 27 . 1 1 48 48 ASP C C 48 176.700 176.700 178.553 -1.853 18818 15154 1 27 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.085 0.415 18818 15155 1 27 . 1 1 48 48 ASP CB C 48 39.400 39.400 40.998 -1.598 18818 15156 1 27 . 1 1 48 48 ASP H H 48 8.160 8.160 7.761 0.399 18818 15157 1 27 . 1 1 49 49 LEU N N 49 122.600 122.600 117.569 5.031 18818 15158 1 27 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.825 -0.655 18818 15159 1 27 . 1 1 49 49 LEU C C 49 179.100 179.100 178.098 1.002 18818 15160 1 27 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.287 1.713 18818 15161 1 27 . 1 1 49 49 LEU CB C 49 41.300 41.300 40.926 0.374 18818 15162 1 27 . 1 1 49 49 LEU H H 49 7.980 7.980 7.665 0.316 18818 15163 1 27 . 1 1 50 50 VAL N N 50 118.200 118.200 120.471 -2.271 18818 15164 1 27 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.486 0.064 18818 15165 1 27 . 1 1 50 50 VAL C C 50 178.800 178.800 178.059 0.741 18818 15166 1 27 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.178 -0.778 18818 15167 1 27 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.269 0.231 18818 15168 1 27 . 1 1 50 50 VAL H H 50 8.390 8.390 7.909 0.481 18818 15169 1 27 . 1 1 51 51 THR N N 51 115.000 115.000 112.437 2.563 18818 15170 1 27 . 1 1 51 51 THR HA H 51 3.990 3.990 4.010 -0.020 18818 15171 1 27 . 1 1 51 51 THR C C 51 176.000 176.000 175.684 0.316 18818 15172 1 27 . 1 1 51 51 THR CA C 51 65.800 65.800 64.879 0.921 18818 15173 1 27 . 1 1 51 51 THR CB C 51 68.900 68.900 68.679 0.221 18818 15174 1 27 . 1 1 51 51 THR H H 51 8.480 8.480 7.510 0.970 18818 15175 1 27 . 1 1 52 52 GLN N N 52 116.400 116.400 118.810 -2.410 18818 15176 1 27 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.332 -0.082 18818 15177 1 27 . 1 1 52 52 GLN C C 52 178.300 178.300 177.387 0.913 18818 15178 1 27 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.833 -0.033 18818 15179 1 27 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.238 -0.738 18818 15180 1 27 . 1 1 52 52 GLN H H 52 8.180 8.180 7.596 0.584 18818 15181 1 27 . 1 1 53 53 GLN N N 53 112.100 112.100 118.072 -5.972 18818 15182 1 27 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.369 0.481 18818 15183 1 27 . 1 1 53 53 GLN C C 53 176.900 176.900 176.691 0.209 18818 15184 1 27 . 1 1 53 53 GLN CA C 53 55.000 55.000 57.362 -2.362 18818 15185 1 27 . 1 1 53 53 GLN CB C 53 28.400 28.400 29.848 -1.448 18818 15186 1 27 . 1 1 53 53 GLN H H 53 8.490 8.490 8.269 0.221 18818 15187 1 27 . 1 1 54 54 LEU N N 54 119.800 119.800 118.379 1.421 18818 15188 1 27 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.864 0.386 18818 15189 1 27 . 1 1 54 54 LEU C C 54 176.900 176.900 174.749 2.151 18818 15190 1 27 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.630 1.270 18818 15191 1 27 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.375 0.725 18818 15192 1 27 . 1 1 54 54 LEU H H 54 7.920 7.920 7.785 0.135 18818 15193 1 27 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.366 0.104 18818 15194 1 27 . 1 1 55 55 PRO C C 55 178.300 178.300 177.351 0.949 18818 15195 1 27 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.485 0.815 18818 15196 1 27 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.605 -0.905 18818 15197 1 27 . 1 1 56 56 HIS N N 56 116.500 116.500 115.533 0.967 18818 15198 1 27 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.483 0.107 18818 15199 1 27 . 1 1 56 56 HIS C C 56 176.300 176.300 176.257 0.043 18818 15200 1 27 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.922 -0.122 18818 15201 1 27 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.520 -1.220 18818 15202 1 27 . 1 1 56 56 HIS H H 56 9.770 9.770 8.186 1.584 18818 15203 1 27 . 1 1 57 57 LEU N N 57 116.600 116.600 120.368 -3.768 18818 15204 1 27 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.315 0.015 18818 15205 1 27 . 1 1 57 57 LEU C C 57 176.400 176.400 175.980 0.420 18818 15206 1 27 . 1 1 57 57 LEU CA C 57 55.400 55.400 56.137 -0.737 18818 15207 1 27 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.534 -0.034 18818 15208 1 27 . 1 1 57 57 LEU H H 57 7.830 7.830 7.785 0.045 18818 15209 1 27 . 1 1 58 58 MET N N 58 118.000 118.000 117.892 0.108 18818 15210 1 27 . 1 1 58 58 MET HA H 58 4.540 4.540 4.943 -0.403 18818 15211 1 27 . 1 1 58 58 MET C C 58 171.600 171.600 173.451 -1.851 18818 15212 1 27 . 1 1 58 58 MET CA C 58 53.500 53.500 51.654 1.846 18818 15213 1 27 . 1 1 58 58 MET CB C 58 32.700 32.700 34.261 -1.561 18818 15214 1 27 . 1 1 58 58 MET H H 58 7.970 7.970 8.109 -0.139 18818 15215 1 27 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.768 -0.318 18818 15216 1 27 . 1 1 59 59 PRO C C 59 177.400 177.400 177.898 -0.498 18818 15217 1 27 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.472 0.628 18818 15218 1 27 . 1 1 59 59 PRO CB C 59 31.900 31.900 33.078 -1.178 18818 15219 1 27 . 1 1 60 60 SER N N 60 114.900 114.900 117.606 -2.706 18818 15220 1 27 . 1 1 60 60 SER HA H 60 4.340 4.340 4.026 0.314 18818 15221 1 27 . 1 1 60 60 SER C C 60 174.700 174.700 176.072 -1.372 18818 15222 1 27 . 1 1 60 60 SER CA C 60 59.100 59.100 61.957 -2.857 18818 15223 1 27 . 1 1 60 60 SER CB C 60 63.200 63.200 62.821 0.379 18818 15224 1 27 . 1 1 60 60 SER H H 60 8.360 8.360 8.810 -0.450 18818 15225 1 27 . 1 1 61 61 ASN N N 61 120.800 120.800 118.976 1.824 18818 15226 1 27 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.505 0.305 18818 15227 1 27 . 1 1 61 61 ASN C C 61 175.500 175.500 175.966 -0.466 18818 15228 1 27 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.369 -2.369 18818 15229 1 27 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.338 -0.438 18818 15230 1 27 . 1 1 61 61 ASN H H 61 7.990 7.990 8.147 -0.157 18818 15231 1 27 . 1 1 62 62 CYS N N 62 117.800 117.800 117.448 0.352 18818 15232 1 27 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.479 0.111 18818 15233 1 27 . 1 1 62 62 CYS C C 62 175.300 175.300 174.896 0.404 18818 15234 1 27 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.609 -0.409 18818 15235 1 27 . 1 1 62 62 CYS CB C 62 27.400 27.400 27.800 -0.400 18818 15236 1 27 . 1 1 62 62 CYS H H 62 8.260 8.260 7.640 0.620 18818 15237 1 27 . 1 1 63 63 GLY N N 63 111.300 111.300 110.285 1.015 18818 15238 1 27 . 1 1 63 63 GLY C C 63 175.600 175.600 175.056 0.544 18818 15239 1 27 . 1 1 63 63 GLY CA C 63 46.300 46.300 44.905 1.395 18818 15240 1 27 . 1 1 63 63 GLY H H 63 8.520 8.520 7.890 0.630 18818 15241 1 27 . 1 1 64 64 LEU N N 64 122.400 122.400 121.181 1.219 18818 15242 1 27 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.197 -0.147 18818 15243 1 27 . 1 1 64 64 LEU C C 64 177.900 177.900 177.978 -0.078 18818 15244 1 27 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.197 1.403 18818 15245 1 27 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.228 0.772 18818 15246 1 27 . 1 1 64 64 LEU H H 64 7.910 7.910 8.330 -0.420 18818 15247 1 27 . 1 1 65 65 GLU N N 65 117.900 117.900 118.831 -0.931 18818 15248 1 27 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.896 0.014 18818 15249 1 27 . 1 1 65 65 GLU C C 65 179.100 179.100 177.642 1.458 18818 15250 1 27 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.546 1.454 18818 15251 1 27 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.192 0.208 18818 15252 1 27 . 1 1 65 65 GLU H H 65 8.660 8.660 8.336 0.324 18818 15253 1 27 . 1 1 66 66 GLU N N 66 120.000 120.000 120.661 -0.661 18818 15254 1 27 . 1 1 66 66 GLU HA H 66 4.120 4.120 3.991 0.129 18818 15255 1 27 . 1 1 66 66 GLU C C 66 178.200 178.200 178.352 -0.152 18818 15256 1 27 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.156 -0.056 18818 15257 1 27 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.496 -0.396 18818 15258 1 27 . 1 1 66 66 GLU H H 66 8.220 8.220 8.184 0.036 18818 15259 1 27 . 1 1 67 67 LYS N N 67 119.300 119.300 115.976 3.324 18818 15260 1 27 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.165 -0.025 18818 15261 1 27 . 1 1 67 67 LYS C C 67 179.400 179.400 178.219 1.181 18818 15262 1 27 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.043 1.857 18818 15263 1 27 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.055 0.045 18818 15264 1 27 . 1 1 67 67 LYS H H 67 7.780 7.780 7.597 0.183 18818 15265 1 27 . 1 1 68 68 ILE N N 68 118.400 118.400 119.284 -0.884 18818 15266 1 27 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.922 -0.202 18818 15267 1 27 . 1 1 68 68 ILE C C 68 177.800 177.800 177.074 0.726 18818 15268 1 27 . 1 1 68 68 ILE CA C 68 64.500 64.500 63.445 1.055 18818 15269 1 27 . 1 1 68 68 ILE CB C 68 37.300 37.300 38.379 -1.079 18818 15270 1 27 . 1 1 68 68 ILE H H 68 8.230 8.230 7.336 0.894 18818 15271 1 27 . 1 1 69 69 ALA N N 69 122.900 122.900 122.583 0.317 18818 15272 1 27 . 1 1 69 69 ALA HA H 69 4.220 4.220 3.995 0.225 18818 15273 1 27 . 1 1 69 69 ALA C C 69 179.600 179.600 179.297 0.303 18818 15274 1 27 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.106 -0.706 18818 15275 1 27 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.290 -0.390 18818 15276 1 27 . 1 1 69 69 ALA H H 69 8.070 8.070 8.146 -0.076 18818 15277 1 27 . 1 1 70 70 ASN N N 70 115.400 115.400 116.295 -0.895 18818 15278 1 27 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.590 0.280 18818 15279 1 27 . 1 1 70 70 ASN C C 70 176.500 176.500 177.020 -0.520 18818 15280 1 27 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.062 -0.762 18818 15281 1 27 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.643 0.057 18818 15282 1 27 . 1 1 70 70 ASN H H 70 7.880 7.880 8.411 -0.531 18818 15283 1 27 . 1 1 71 71 LEU N N 71 120.600 120.600 115.749 4.851 18818 15284 1 27 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.636 -0.306 18818 15285 1 27 . 1 1 71 71 LEU C C 71 178.300 178.300 177.796 0.504 18818 15286 1 27 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.865 1.435 18818 15287 1 27 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.362 -0.062 18818 15288 1 27 . 1 1 71 71 LEU H H 71 7.820 7.820 7.433 0.387 18818 15289 1 27 . 1 1 72 72 GLY N N 72 106.800 106.800 109.451 -2.651 18818 15290 1 27 . 1 1 72 72 GLY C C 72 174.400 174.400 174.732 -0.332 18818 15291 1 27 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.026 0.674 18818 15292 1 27 . 1 1 72 72 GLY H H 72 8.240 8.240 7.773 0.467 18818 15293 1 27 . 1 1 73 73 SER N N 73 115.600 115.600 115.832 -0.232 18818 15294 1 27 . 1 1 73 73 SER HA H 73 4.570 4.570 4.491 0.079 18818 15295 1 27 . 1 1 73 73 SER C C 73 175.000 175.000 174.459 0.541 18818 15296 1 27 . 1 1 73 73 SER CA C 73 58.900 58.900 59.337 -0.437 18818 15297 1 27 . 1 1 73 73 SER CB C 73 63.600 63.600 64.159 -0.559 18818 15298 1 27 . 1 1 73 73 SER H H 73 8.220 8.220 8.389 -0.169 18818 15299 1 27 . 1 1 74 74 CYS N N 74 119.300 119.300 127.099 -7.799 18818 15300 1 27 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.800 -0.150 18818 15301 1 27 . 1 1 74 74 CYS C C 74 174.500 174.500 174.599 -0.099 18818 15302 1 27 . 1 1 74 74 CYS CA C 74 58.700 58.700 57.848 0.852 18818 15303 1 27 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.336 -0.636 18818 15304 1 27 . 1 1 74 74 CYS H H 74 8.260 8.260 8.696 -0.436 18818 15305 1 27 . 1 1 75 75 ASN N N 75 120.000 120.000 120.775 -0.775 18818 15306 1 27 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.434 0.406 18818 15307 1 27 . 1 1 75 75 ASN C C 75 174.700 174.700 176.713 -2.013 18818 15308 1 27 . 1 1 75 75 ASN CA C 75 53.800 53.800 55.740 -1.940 18818 15309 1 27 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.566 0.334 18818 15310 1 27 . 1 1 75 75 ASN H H 75 8.430 8.430 8.704 -0.274 18818 15311 1 27 . 1 1 76 76 ASP N N 76 119.200 119.200 119.039 0.161 18818 15312 1 27 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.542 0.128 18818 15313 1 27 . 1 1 76 76 ASP C C 76 175.500 175.500 177.851 -2.351 18818 15314 1 27 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.381 -1.981 18818 15315 1 27 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.905 -0.305 18818 15316 1 27 . 1 1 76 76 ASP H H 76 8.300 8.300 8.636 -0.336 18818 15317 1 27 . 1 1 77 77 SER N N 77 112.800 112.800 114.969 -2.169 18818 15318 1 27 . 1 1 77 77 SER HA H 77 4.260 4.260 4.369 -0.109 18818 15319 1 27 . 1 1 77 77 SER C C 77 173.300 173.300 174.327 -1.027 18818 15320 1 27 . 1 1 77 77 SER CA C 77 59.000 59.000 58.872 0.128 18818 15321 1 27 . 1 1 77 77 SER CB C 77 63.100 63.100 63.709 -0.609 18818 15322 1 27 . 1 1 77 77 SER H H 77 8.220 8.220 7.687 0.533 18818 15323 1 27 . 1 1 78 78 LYS N N 78 120.600 120.600 116.754 3.846 18818 15324 1 27 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.926 0.634 18818 15325 1 27 . 1 1 78 78 LYS C C 78 175.300 175.300 175.618 -0.318 18818 15326 1 27 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.411 -1.811 18818 15327 1 27 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.831 1.469 18818 15328 1 27 . 1 1 78 78 LYS H H 78 7.930 7.930 7.555 0.375 18818 15329 1 27 . 1 1 79 79 LEU N N 79 123.700 123.700 121.985 1.715 18818 15330 1 27 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.674 0.106 18818 15331 1 27 . 1 1 79 79 LEU C C 79 176.100 176.100 176.286 -0.186 18818 15332 1 27 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.217 -0.017 18818 15333 1 27 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.402 -1.402 18818 15334 1 27 . 1 1 79 79 LEU H H 79 9.020 9.020 8.651 0.369 18818 15335 1 27 . 1 1 80 80 GLU N N 80 121.200 121.200 117.111 4.089 18818 15336 1 27 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.797 0.103 18818 15337 1 27 . 1 1 80 80 GLU C C 80 177.100 177.100 177.242 -0.142 18818 15338 1 27 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.693 0.507 18818 15339 1 27 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.809 -1.209 18818 15340 1 27 . 1 1 80 80 GLU H H 80 8.630 8.630 8.103 0.527 18818 15341 1 27 . 1 1 81 81 PHE N N 81 123.500 123.500 123.621 -0.121 18818 15342 1 27 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.267 0.263 18818 15343 1 27 . 1 1 81 81 PHE C C 81 177.000 177.000 176.678 0.322 18818 15344 1 27 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.247 0.053 18818 15345 1 27 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.141 -0.641 18818 15346 1 27 . 1 1 81 81 PHE H H 81 9.360 9.360 8.636 0.724 18818 15347 1 27 . 1 1 82 82 ARG N N 82 116.500 116.500 118.598 -2.098 18818 15348 1 27 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.137 -0.097 18818 15349 1 27 . 1 1 82 82 ARG C C 82 178.000 178.000 178.187 -0.187 18818 15350 1 27 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.236 -0.036 18818 15351 1 27 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.470 -0.270 18818 15352 1 27 . 1 1 82 82 ARG H H 82 8.940 8.940 8.750 0.190 18818 15353 1 27 . 1 1 83 83 SER N N 83 115.700 115.700 114.830 0.870 18818 15354 1 27 . 1 1 83 83 SER HA H 83 4.510 4.510 4.313 0.197 18818 15355 1 27 . 1 1 83 83 SER C C 83 175.800 175.800 176.580 -0.780 18818 15356 1 27 . 1 1 83 83 SER CA C 83 61.700 61.700 61.897 -0.197 18818 15357 1 27 . 1 1 83 83 SER CB C 83 62.700 62.700 62.555 0.145 18818 15358 1 27 . 1 1 83 83 SER H H 83 7.610 7.610 7.864 -0.254 18818 15359 1 27 . 1 1 84 84 PHE N N 84 122.200 122.200 123.739 -1.539 18818 15360 1 27 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.289 -0.069 18818 15361 1 27 . 1 1 84 84 PHE C C 84 175.000 175.000 176.749 -1.749 18818 15362 1 27 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.033 -1.033 18818 15363 1 27 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.270 -0.070 18818 15364 1 27 . 1 1 84 84 PHE H H 84 7.490 7.490 7.585 -0.095 18818 15365 1 27 . 1 1 85 85 TRP N N 85 120.700 120.700 120.290 0.410 18818 15366 1 27 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.204 -0.444 18818 15367 1 27 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.821 -1.021 18818 15368 1 27 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.821 -0.621 18818 15369 1 27 . 1 1 85 85 TRP H H 85 8.770 8.770 8.380 0.390 18818 15370 1 27 . 1 1 86 86 GLU N N 86 119.100 119.100 117.238 1.862 18818 15371 1 27 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.960 0.120 18818 15372 1 27 . 1 1 86 86 GLU C C 86 179.100 179.100 178.922 0.178 18818 15373 1 27 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.536 -0.236 18818 15374 1 27 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.191 0.309 18818 15375 1 27 . 1 1 86 86 GLU H H 86 8.150 8.150 8.523 -0.373 18818 15376 1 27 . 1 1 87 87 LEU N N 87 120.800 120.800 119.210 1.590 18818 15377 1 27 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.127 -0.077 18818 15378 1 27 . 1 1 87 87 LEU C C 87 178.900 178.900 178.297 0.603 18818 15379 1 27 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.252 0.648 18818 15380 1 27 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.896 -0.596 18818 15381 1 27 . 1 1 87 87 LEU H H 87 7.600 7.600 7.421 0.179 18818 15382 1 27 . 1 1 88 88 ILE N N 88 115.200 115.200 120.014 -4.814 18818 15383 1 27 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.466 0.114 18818 15384 1 27 . 1 1 88 88 ILE C C 88 177.300 177.300 177.461 -0.161 18818 15385 1 27 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.912 -1.913 18818 15386 1 27 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.918 -1.318 18818 15387 1 27 . 1 1 88 88 ILE H H 88 7.960 7.960 7.278 0.682 18818 15388 1 27 . 1 1 89 89 GLY N N 89 108.100 108.100 107.817 0.283 18818 15389 1 27 . 1 1 89 89 GLY C C 89 175.700 175.700 174.701 0.999 18818 15390 1 27 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.958 -1.558 18818 15391 1 27 . 1 1 89 89 GLY H H 89 7.620 7.620 7.844 -0.224 18818 15392 1 27 . 1 1 90 90 GLU N N 90 120.000 120.000 120.383 -0.383 18818 15393 1 27 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.119 -0.159 18818 15394 1 27 . 1 1 90 90 GLU C C 90 179.100 179.100 178.597 0.503 18818 15395 1 27 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.833 0.367 18818 15396 1 27 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.817 -1.017 18818 15397 1 27 . 1 1 90 90 GLU H H 90 7.410 7.410 7.435 -0.025 18818 15398 1 27 . 1 1 91 91 ALA N N 91 122.400 122.400 122.533 -0.133 18818 15399 1 27 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.980 0.040 18818 15400 1 27 . 1 1 91 91 ALA C C 91 178.700 178.700 179.041 -0.341 18818 15401 1 27 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.802 -0.802 18818 15402 1 27 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.342 -0.342 18818 15403 1 27 . 1 1 91 91 ALA H H 91 7.610 7.610 8.088 -0.478 18818 15404 1 27 . 1 1 92 92 ALA N N 92 118.000 118.000 117.792 0.208 18818 15405 1 27 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.485 -0.815 18818 15406 1 27 . 1 1 92 92 ALA C C 92 177.900 177.900 177.988 -0.088 18818 15407 1 27 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.535 0.365 18818 15408 1 27 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.349 -0.449 18818 15409 1 27 . 1 1 92 92 ALA H H 92 7.740 7.740 8.126 -0.386 18818 15410 1 27 . 1 1 93 93 LYS N N 93 114.600 114.600 117.960 -3.360 18818 15411 1 27 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.259 -0.489 18818 15412 1 27 . 1 1 93 93 LYS C C 93 177.000 177.000 178.180 -1.180 18818 15413 1 27 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.079 -0.579 18818 15414 1 27 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.671 -0.871 18818 15415 1 27 . 1 1 93 93 LYS H H 93 7.200 7.200 7.936 -0.736 18818 15416 1 27 . 1 1 94 94 SER N N 94 113.000 113.000 114.963 -1.963 18818 15417 1 27 . 1 1 94 94 SER HA H 94 4.450 4.450 4.340 0.110 18818 15418 1 27 . 1 1 94 94 SER C C 94 174.500 174.500 175.221 -0.721 18818 15419 1 27 . 1 1 94 94 SER CA C 94 58.800 58.800 60.761 -1.961 18818 15420 1 27 . 1 1 94 94 SER CB C 94 63.900 63.900 63.975 -0.075 18818 15421 1 27 . 1 1 94 94 SER H H 94 7.530 7.530 7.808 -0.278 18818 15422 1 27 . 1 1 95 95 VAL N N 95 122.100 122.100 119.696 2.404 18818 15423 1 27 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.313 -0.373 18818 15424 1 27 . 1 1 95 95 VAL C C 95 175.400 175.400 173.680 1.720 18818 15425 1 27 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.500 1.700 18818 15426 1 27 . 1 1 95 95 VAL CB C 95 31.500 31.500 34.855 -3.355 18818 15427 1 27 . 1 1 95 95 VAL H H 95 7.440 7.440 7.947 -0.507 18818 15428 1 27 . 1 1 96 96 LYS N N 96 126.300 126.300 124.421 1.879 18818 15429 1 27 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.656 -0.256 18818 15430 1 27 . 1 1 96 96 LYS C C 96 176.000 176.000 175.233 0.767 18818 15431 1 27 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.613 0.887 18818 15432 1 27 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.672 -2.172 18818 15433 1 27 . 1 1 96 96 LYS H H 96 8.470 8.470 8.016 0.454 18818 15434 1 27 . 1 1 97 97 LEU N N 97 123.400 123.400 122.470 0.930 18818 15435 1 27 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.266 0.144 18818 15436 1 27 . 1 1 97 97 LEU C C 97 176.700 176.700 178.190 -1.490 18818 15437 1 27 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.676 -1.276 18818 15438 1 27 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.337 -0.037 18818 15439 1 27 . 1 1 97 97 LEU H H 97 8.140 8.140 8.502 -0.362 18818 15440 1 27 . 1 1 98 98 GLU N N 98 121.400 121.400 125.004 -3.604 18818 15441 1 27 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.046 0.294 18818 15442 1 27 . 1 1 98 98 GLU C C 98 175.900 175.900 176.045 -0.145 18818 15443 1 27 . 1 1 98 98 GLU CA C 98 56.200 56.200 58.037 -1.837 18818 15444 1 27 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.890 0.211 18818 15445 1 27 . 1 1 98 98 GLU H H 98 8.320 8.320 8.703 -0.383 18818 15446 1 27 . 1 1 99 99 ARG N N 99 122.800 122.800 119.344 3.456 18818 15447 1 27 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.601 0.209 18818 15448 1 27 . 1 1 99 99 ARG C C 99 173.900 173.900 174.080 -0.180 18818 15449 1 27 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.192 -0.592 18818 15450 1 27 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.567 -0.667 18818 15451 1 27 . 1 1 99 99 ARG H H 99 8.280 8.280 7.459 0.821 18818 15452 1 27 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.516 0.004 18818 15453 1 27 . 1 1 100 100 PRO C C 100 176.700 176.700 176.882 -0.182 18818 15454 1 27 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.529 0.271 18818 15455 1 27 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.235 -0.535 18818 15456 1 27 . 1 1 101 101 VAL N N 101 120.500 120.500 116.476 4.024 18818 15457 1 27 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.211 -0.081 18818 15458 1 27 . 1 1 101 101 VAL C C 101 176.000 176.000 175.696 0.304 18818 15459 1 27 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.163 -0.064 18818 15460 1 27 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.231 -0.031 18818 15461 1 27 . 1 1 101 101 VAL H H 101 8.230 8.230 8.150 0.080 18818 15462 1 27 . 1 1 102 102 ARG N N 102 124.600 124.600 125.595 -0.995 18818 15463 1 27 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.213 0.207 18818 15464 1 27 . 1 1 102 102 ARG C C 102 176.400 176.400 176.630 -0.230 18818 15465 1 27 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.117 -0.217 18818 15466 1 27 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.509 0.191 18818 15467 1 27 . 1 1 102 102 ARG H H 102 8.390 8.390 8.218 0.172 18818 15468 1 27 . 1 1 103 103 GLY N N 103 110.400 110.400 107.547 2.853 18818 15469 1 27 . 1 1 103 103 GLY C C 103 172.900 172.900 174.324 -1.424 18818 15470 1 27 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.211 -0.211 18818 15471 1 27 . 1 1 103 103 GLY H H 103 8.400 8.400 8.501 -0.101 18818 15472 1 28 . 1 1 5 5 ARG N N 5 124.100 124.100 121.639 2.461 18818 15473 1 28 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.508 -0.458 18818 15474 1 28 . 1 1 5 5 ARG C C 5 173.800 173.800 174.976 -1.176 18818 15475 1 28 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.361 -0.361 18818 15476 1 28 . 1 1 5 5 ARG CB C 5 30.700 30.700 31.700 -1.000 18818 15477 1 28 . 1 1 5 5 ARG H H 5 8.570 8.570 8.554 0.016 18818 15478 1 28 . 1 1 6 6 SER N N 6 117.500 117.500 120.978 -3.478 18818 15479 1 28 . 1 1 6 6 SER HA H 6 4.510 4.510 4.772 -0.262 18818 15480 1 28 . 1 1 6 6 SER C C 6 174.100 174.100 172.537 1.563 18818 15481 1 28 . 1 1 6 6 SER CA C 6 58.000 58.000 58.486 -0.486 18818 15482 1 28 . 1 1 6 6 SER CB C 6 63.700 63.700 65.398 -1.698 18818 15483 1 28 . 1 1 6 6 SER H H 6 8.370 8.370 8.834 -0.464 18818 15484 1 28 . 1 1 7 7 ALA N N 7 125.900 125.900 126.199 -0.299 18818 15485 1 28 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.677 -0.277 18818 15486 1 28 . 1 1 7 7 ALA C C 7 177.200 177.200 176.834 0.366 18818 15487 1 28 . 1 1 7 7 ALA CA C 7 52.600 52.600 51.912 0.688 18818 15488 1 28 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.536 -0.536 18818 15489 1 28 . 1 1 7 7 ALA H H 7 8.410 8.410 8.223 0.187 18818 15490 1 28 . 1 1 8 8 ASN N N 8 117.400 117.400 119.609 -2.209 18818 15491 1 28 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.660 0.110 18818 15492 1 28 . 1 1 8 8 ASN C C 8 174.900 174.900 175.395 -0.495 18818 15493 1 28 . 1 1 8 8 ASN CA C 8 52.900 52.900 53.302 -0.402 18818 15494 1 28 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.985 -0.185 18818 15495 1 28 . 1 1 8 8 ASN H H 8 8.360 8.360 8.154 0.206 18818 15496 1 28 . 1 1 9 9 ALA N N 9 124.400 124.400 122.855 1.545 18818 15497 1 28 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.045 0.304 18818 15498 1 28 . 1 1 9 9 ALA C C 9 177.800 177.800 177.449 0.351 18818 15499 1 28 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.328 -0.628 18818 15500 1 28 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.438 1.462 18818 15501 1 28 . 1 1 9 9 ALA H H 9 8.270 8.270 8.530 -0.260 18818 15502 1 28 . 1 1 10 10 GLU N N 10 119.300 119.300 117.662 1.638 18818 15503 1 28 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.300 0.010 18818 15504 1 28 . 1 1 10 10 GLU C C 10 176.400 176.400 176.338 0.062 18818 15505 1 28 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.136 -0.236 18818 15506 1 28 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.815 -1.215 18818 15507 1 28 . 1 1 10 10 GLU H H 10 8.470 8.470 8.585 -0.115 18818 15508 1 28 . 1 1 11 11 ASP N N 11 120.600 120.600 117.337 3.263 18818 15509 1 28 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.648 -0.038 18818 15510 1 28 . 1 1 11 11 ASP C C 11 176.100 176.100 175.927 0.173 18818 15511 1 28 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.488 0.812 18818 15512 1 28 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.471 -0.671 18818 15513 1 28 . 1 1 11 11 ASP H H 11 8.200 8.200 8.356 -0.156 18818 15514 1 28 . 1 1 12 12 ALA N N 12 123.800 123.800 123.260 0.540 18818 15515 1 28 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.757 0.333 18818 15516 1 28 . 1 1 12 12 ALA C C 12 177.800 177.800 176.838 0.962 18818 15517 1 28 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.328 -0.828 18818 15518 1 28 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.014 0.786 18818 15519 1 28 . 1 1 12 12 ALA H H 12 8.070 8.070 7.841 0.229 18818 15520 1 28 . 1 1 13 13 GLN N N 13 118.500 118.500 117.700 0.800 18818 15521 1 28 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.395 -0.125 18818 15522 1 28 . 1 1 13 13 GLN C C 13 175.700 175.700 176.363 -0.663 18818 15523 1 28 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.326 -0.426 18818 15524 1 28 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.919 -0.819 18818 15525 1 28 . 1 1 13 13 GLN H H 13 8.230 8.230 8.406 -0.176 18818 15526 1 28 . 1 1 14 14 GLU N N 14 120.600 120.600 118.784 1.816 18818 15527 1 28 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.533 -0.233 18818 15528 1 28 . 1 1 14 14 GLU C C 14 175.800 175.800 175.655 0.145 18818 15529 1 28 . 1 1 14 14 GLU CA C 14 55.800 55.800 56.467 -0.667 18818 15530 1 28 . 1 1 14 14 GLU CB C 14 29.900 29.900 30.789 -0.889 18818 15531 1 28 . 1 1 14 14 GLU H H 14 8.100 8.100 8.312 -0.212 18818 15532 1 28 . 1 1 15 15 PHE N N 15 121.100 121.100 119.869 1.231 18818 15533 1 28 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.755 0.125 18818 15534 1 28 . 1 1 15 15 PHE C C 15 176.900 176.900 176.711 0.189 18818 15535 1 28 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.404 -0.104 18818 15536 1 28 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.894 -0.594 18818 15537 1 28 . 1 1 15 15 PHE H H 15 8.030 8.030 7.897 0.133 18818 15538 1 28 . 1 1 16 16 SER N N 16 119.400 119.400 118.107 1.293 18818 15539 1 28 . 1 1 16 16 SER HA H 16 4.850 4.850 4.379 0.471 18818 15540 1 28 . 1 1 16 16 SER C C 16 174.800 174.800 175.640 -0.840 18818 15541 1 28 . 1 1 16 16 SER CA C 16 57.000 57.000 59.376 -2.376 18818 15542 1 28 . 1 1 16 16 SER CB C 16 65.600 65.600 64.345 1.255 18818 15543 1 28 . 1 1 16 16 SER H H 16 9.530 9.530 8.909 0.621 18818 15544 1 28 . 1 1 17 17 ASP N N 17 121.300 121.300 123.177 -1.877 18818 15545 1 28 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.458 0.092 18818 15546 1 28 . 1 1 17 17 ASP C C 17 179.700 179.700 178.581 1.119 18818 15547 1 28 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.610 0.390 18818 15548 1 28 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.514 -1.014 18818 15549 1 28 . 1 1 17 17 ASP H H 17 9.270 9.270 8.955 0.315 18818 15550 1 28 . 1 1 18 18 VAL N N 18 120.600 120.600 119.558 1.042 18818 15551 1 28 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.930 -0.250 18818 15552 1 28 . 1 1 18 18 VAL C C 18 176.900 176.900 177.135 -0.235 18818 15553 1 28 . 1 1 18 18 VAL CA C 18 66.500 66.500 65.189 1.311 18818 15554 1 28 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.097 -0.197 18818 15555 1 28 . 1 1 18 18 VAL H H 18 8.230 8.230 7.961 0.269 18818 15556 1 28 . 1 1 19 19 GLU N N 19 121.000 121.000 118.956 2.044 18818 15557 1 28 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.274 -0.534 18818 15558 1 28 . 1 1 19 19 GLU C C 19 178.600 178.600 178.572 0.028 18818 15559 1 28 . 1 1 19 19 GLU CA C 19 60.000 60.000 58.859 1.141 18818 15560 1 28 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.760 -1.060 18818 15561 1 28 . 1 1 19 19 GLU H H 19 8.180 8.180 7.855 0.325 18818 15562 1 28 . 1 1 20 20 ARG N N 20 118.100 118.100 117.241 0.859 18818 15563 1 28 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.352 -0.052 18818 15564 1 28 . 1 1 20 20 ARG C C 20 178.700 178.700 178.116 0.584 18818 15565 1 28 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.580 0.520 18818 15566 1 28 . 1 1 20 20 ARG CB C 20 29.700 29.700 30.225 -0.525 18818 15567 1 28 . 1 1 20 20 ARG H H 20 8.920 8.920 8.170 0.750 18818 15568 1 28 . 1 1 21 21 ALA N N 21 123.800 123.800 123.387 0.413 18818 15569 1 28 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.172 0.248 18818 15570 1 28 . 1 1 21 21 ALA C C 21 179.300 179.300 179.542 -0.242 18818 15571 1 28 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.898 0.302 18818 15572 1 28 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.395 -0.495 18818 15573 1 28 . 1 1 21 21 ALA H H 21 8.060 8.060 7.921 0.139 18818 15574 1 28 . 1 1 22 22 ILE N N 22 118.200 118.200 117.758 0.442 18818 15575 1 28 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.739 -0.019 18818 15576 1 28 . 1 1 22 22 ILE C C 22 177.500 177.500 178.353 -0.853 18818 15577 1 28 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.761 0.239 18818 15578 1 28 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.783 -0.383 18818 15579 1 28 . 1 1 22 22 ILE H H 22 8.010 8.010 7.797 0.213 18818 15580 1 28 . 1 1 23 23 GLU N N 23 120.100 120.100 119.954 0.146 18818 15581 1 28 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.031 -0.071 18818 15582 1 28 . 1 1 23 23 GLU C C 23 178.000 178.000 178.972 -0.972 18818 15583 1 28 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.747 0.553 18818 15584 1 28 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.601 -0.101 18818 15585 1 28 . 1 1 23 23 GLU H H 23 8.450 8.450 8.075 0.375 18818 15586 1 28 . 1 1 24 24 THR N N 24 117.300 117.300 117.113 0.187 18818 15587 1 28 . 1 1 24 24 THR HA H 24 4.010 4.010 4.019 -0.009 18818 15588 1 28 . 1 1 24 24 THR C C 24 177.000 177.000 176.630 0.370 18818 15589 1 28 . 1 1 24 24 THR CA C 24 67.100 67.100 67.284 -0.184 18818 15590 1 28 . 1 1 24 24 THR CB C 24 68.200 68.200 68.909 -0.709 18818 15591 1 28 . 1 1 24 24 THR H H 24 8.720 8.720 8.353 0.367 18818 15592 1 28 . 1 1 25 25 LEU N N 25 123.400 123.400 119.263 4.137 18818 15593 1 28 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.448 -0.168 18818 15594 1 28 . 1 1 25 25 LEU C C 25 178.200 178.200 178.472 -0.272 18818 15595 1 28 . 1 1 25 25 LEU CA C 25 59.300 59.300 58.050 1.250 18818 15596 1 28 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.683 0.017 18818 15597 1 28 . 1 1 25 25 LEU H H 25 8.150 8.150 7.894 0.256 18818 15598 1 28 . 1 1 26 26 ILE N N 26 119.500 119.500 120.784 -1.284 18818 15599 1 28 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.747 0.253 18818 15600 1 28 . 1 1 26 26 ILE C C 26 177.900 177.900 178.637 -0.737 18818 15601 1 28 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.708 0.392 18818 15602 1 28 . 1 1 26 26 ILE CB C 26 37.300 37.300 36.957 0.343 18818 15603 1 28 . 1 1 26 26 ILE H H 26 8.510 8.510 7.953 0.557 18818 15604 1 28 . 1 1 27 27 LYS N N 27 120.500 120.500 119.308 1.192 18818 15605 1 28 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.316 -0.166 18818 15606 1 28 . 1 1 27 27 LYS C C 27 179.600 179.600 178.765 0.835 18818 15607 1 28 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.815 1.285 18818 15608 1 28 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.592 0.408 18818 15609 1 28 . 1 1 27 27 LYS H H 27 9.000 9.000 8.654 0.346 18818 15610 1 28 . 1 1 28 28 ASN N N 28 117.300 117.300 117.363 -0.063 18818 15611 1 28 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.649 -0.089 18818 15612 1 28 . 1 1 28 28 ASN C C 28 176.000 176.000 177.077 -1.077 18818 15613 1 28 . 1 1 28 28 ASN CA C 28 57.700 57.700 56.180 1.520 18818 15614 1 28 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.389 1.911 18818 15615 1 28 . 1 1 28 28 ASN H H 28 7.990 7.990 7.613 0.377 18818 15616 1 28 . 1 1 29 29 PHE N N 29 119.100 119.100 122.390 -3.290 18818 15617 1 28 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.519 0.391 18818 15618 1 28 . 1 1 29 29 PHE C C 29 176.200 176.200 177.366 -1.166 18818 15619 1 28 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.828 -0.628 18818 15620 1 28 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.580 0.020 18818 15621 1 28 . 1 1 29 29 PHE H H 29 7.990 7.990 8.111 -0.121 18818 15622 1 28 . 1 1 30 30 HIS N N 30 114.700 114.700 115.965 -1.265 18818 15623 1 28 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.749 -0.429 18818 15624 1 28 . 1 1 30 30 HIS C C 30 177.400 177.400 177.007 0.393 18818 15625 1 28 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.641 -0.141 18818 15626 1 28 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.464 0.136 18818 15627 1 28 . 1 1 30 30 HIS H H 30 8.180 8.180 7.674 0.506 18818 15628 1 28 . 1 1 31 31 GLN N N 31 118.500 118.500 117.360 1.140 18818 15629 1 28 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.251 -0.171 18818 15630 1 28 . 1 1 31 31 GLN C C 31 176.600 176.600 177.259 -0.659 18818 15631 1 28 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.977 -0.177 18818 15632 1 28 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.999 -0.599 18818 15633 1 28 . 1 1 31 31 GLN H H 31 8.280 8.280 8.372 -0.092 18818 15634 1 28 . 1 1 32 32 TYR N N 32 115.700 115.700 117.816 -2.116 18818 15635 1 28 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.402 -0.192 18818 15636 1 28 . 1 1 32 32 TYR C C 32 174.800 174.800 176.616 -1.816 18818 15637 1 28 . 1 1 32 32 TYR CA C 32 59.700 59.700 59.528 0.172 18818 15638 1 28 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.548 -0.848 18818 15639 1 28 . 1 1 32 32 TYR H H 32 7.410 7.410 7.860 -0.450 18818 15640 1 28 . 1 1 33 33 SER N N 33 114.000 114.000 117.179 -3.179 18818 15641 1 28 . 1 1 33 33 SER HA H 33 4.530 4.530 4.553 -0.023 18818 15642 1 28 . 1 1 33 33 SER C C 33 175.000 175.000 174.641 0.359 18818 15643 1 28 . 1 1 33 33 SER CA C 33 57.200 57.200 58.834 -1.634 18818 15644 1 28 . 1 1 33 33 SER CB C 33 63.200 63.200 61.042 2.158 18818 15645 1 28 . 1 1 33 33 SER H H 33 7.260 7.260 8.247 -0.987 18818 15646 1 28 . 1 1 34 34 VAL N N 34 126.600 126.600 117.137 9.463 18818 15647 1 28 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.010 -0.000 18818 15648 1 28 . 1 1 34 34 VAL C C 34 177.800 177.800 177.250 0.550 18818 15649 1 28 . 1 1 34 34 VAL CA C 34 64.400 64.400 64.063 0.337 18818 15650 1 28 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.914 0.186 18818 15651 1 28 . 1 1 34 34 VAL H H 34 8.490 8.490 7.928 0.562 18818 15652 1 28 . 1 1 35 35 GLU N N 35 122.100 122.100 120.589 1.511 18818 15653 1 28 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.196 0.054 18818 15654 1 28 . 1 1 35 35 GLU C C 35 177.800 177.800 178.315 -0.515 18818 15655 1 28 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.976 -0.476 18818 15656 1 28 . 1 1 35 35 GLU CB C 35 29.800 29.800 29.735 0.065 18818 15657 1 28 . 1 1 35 35 GLU H H 35 8.980 8.980 8.673 0.307 18818 15658 1 28 . 1 1 36 36 GLY N N 36 108.500 108.500 105.498 3.002 18818 15659 1 28 . 1 1 36 36 GLY C C 36 175.000 175.000 174.847 0.153 18818 15660 1 28 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.876 0.424 18818 15661 1 28 . 1 1 36 36 GLY H H 36 8.490 8.490 8.198 0.292 18818 15662 1 28 . 1 1 37 37 GLY N N 37 108.700 108.700 107.696 1.004 18818 15663 1 28 . 1 1 37 37 GLY C C 37 174.100 174.100 174.859 -0.759 18818 15664 1 28 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.369 0.431 18818 15665 1 28 . 1 1 37 37 GLY H H 37 8.140 8.140 7.361 0.779 18818 15666 1 28 . 1 1 38 38 LYS N N 38 118.000 118.000 114.755 3.245 18818 15667 1 28 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.805 0.665 18818 15668 1 28 . 1 1 38 38 LYS C C 38 176.000 176.000 176.234 -0.234 18818 15669 1 28 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.256 -3.156 18818 15670 1 28 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.138 0.562 18818 15671 1 28 . 1 1 38 38 LYS H H 38 8.050 8.050 8.608 -0.558 18818 15672 1 28 . 1 1 39 39 GLU N N 39 118.100 118.100 114.525 3.575 18818 15673 1 28 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.789 -0.229 18818 15674 1 28 . 1 1 39 39 GLU C C 39 175.600 175.600 175.918 -0.318 18818 15675 1 28 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.780 0.020 18818 15676 1 28 . 1 1 39 39 GLU CB C 39 30.200 30.200 32.476 -2.276 18818 15677 1 28 . 1 1 39 39 GLU H H 39 8.630 8.630 7.891 0.739 18818 15678 1 28 . 1 1 40 40 THR N N 40 108.100 108.100 110.890 -2.790 18818 15679 1 28 . 1 1 40 40 THR HA H 40 5.160 5.160 4.877 0.283 18818 15680 1 28 . 1 1 40 40 THR C C 40 173.400 173.400 172.798 0.602 18818 15681 1 28 . 1 1 40 40 THR CA C 40 59.300 59.300 59.959 -0.659 18818 15682 1 28 . 1 1 40 40 THR CB C 40 72.100 72.100 71.901 0.199 18818 15683 1 28 . 1 1 40 40 THR H H 40 7.490 7.490 7.953 -0.463 18818 15684 1 28 . 1 1 41 41 LEU N N 41 120.700 120.700 122.380 -1.680 18818 15685 1 28 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.401 0.639 18818 15686 1 28 . 1 1 41 41 LEU C C 41 177.000 177.000 175.255 1.745 18818 15687 1 28 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.956 -0.656 18818 15688 1 28 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.659 -0.359 18818 15689 1 28 . 1 1 41 41 LEU H H 41 8.660 8.660 8.402 0.258 18818 15690 1 28 . 1 1 42 42 THR N N 42 113.500 113.500 116.727 -3.227 18818 15691 1 28 . 1 1 42 42 THR HA H 42 5.000 5.000 4.935 0.065 18818 15692 1 28 . 1 1 42 42 THR C C 42 174.100 174.100 173.855 0.245 18818 15693 1 28 . 1 1 42 42 THR CA C 42 59.800 59.800 59.500 0.300 18818 15694 1 28 . 1 1 42 42 THR CB C 42 68.100 68.100 69.287 -1.187 18818 15695 1 28 . 1 1 42 42 THR H H 42 9.130 9.130 9.192 -0.062 18818 15696 1 28 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.127 0.023 18818 15697 1 28 . 1 1 43 43 PRO C C 43 178.600 178.600 178.811 -0.211 18818 15698 1 28 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.975 0.224 18818 15699 1 28 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.648 0.052 18818 15700 1 28 . 1 1 44 44 SER N N 44 111.600 111.600 110.478 1.122 18818 15701 1 28 . 1 1 44 44 SER HA H 44 4.170 4.170 4.282 -0.112 18818 15702 1 28 . 1 1 44 44 SER C C 44 176.200 176.200 175.790 0.410 18818 15703 1 28 . 1 1 44 44 SER CA C 44 61.500 61.500 60.708 0.792 18818 15704 1 28 . 1 1 44 44 SER CB C 44 62.200 62.200 62.746 -0.546 18818 15705 1 28 . 1 1 44 44 SER H H 44 8.090 8.090 8.536 -0.446 18818 15706 1 28 . 1 1 45 45 GLU N N 45 123.900 123.900 121.450 2.450 18818 15707 1 28 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.306 -0.046 18818 15708 1 28 . 1 1 45 45 GLU C C 45 179.000 179.000 178.158 0.842 18818 15709 1 28 . 1 1 45 45 GLU CA C 45 59.100 59.100 57.761 1.339 18818 15710 1 28 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.942 -0.242 18818 15711 1 28 . 1 1 45 45 GLU H H 45 7.700 7.700 7.706 -0.006 18818 15712 1 28 . 1 1 46 46 LEU N N 46 118.900 118.900 122.973 -4.073 18818 15713 1 28 . 1 1 46 46 LEU HA H 46 4.080 4.080 4.025 0.055 18818 15714 1 28 . 1 1 46 46 LEU C C 46 177.600 177.600 178.660 -1.060 18818 15715 1 28 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.169 -0.869 18818 15716 1 28 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.027 -1.127 18818 15717 1 28 . 1 1 46 46 LEU H H 46 8.400 8.400 8.600 -0.200 18818 15718 1 28 . 1 1 47 47 ARG N N 47 119.300 119.300 118.077 1.223 18818 15719 1 28 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.011 -0.241 18818 15720 1 28 . 1 1 47 47 ARG C C 47 178.900 178.900 178.039 0.861 18818 15721 1 28 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.920 1.080 18818 15722 1 28 . 1 1 47 47 ARG CB C 47 29.000 29.000 30.009 -1.009 18818 15723 1 28 . 1 1 47 47 ARG H H 47 8.260 8.260 7.974 0.286 18818 15724 1 28 . 1 1 48 48 ASP N N 48 122.300 122.300 119.357 2.943 18818 15725 1 28 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.592 -0.162 18818 15726 1 28 . 1 1 48 48 ASP C C 48 176.700 176.700 178.170 -1.470 18818 15727 1 28 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.117 0.383 18818 15728 1 28 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.302 -1.902 18818 15729 1 28 . 1 1 48 48 ASP H H 48 8.160 8.160 7.461 0.699 18818 15730 1 28 . 1 1 49 49 LEU N N 49 122.600 122.600 118.905 3.695 18818 15731 1 28 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.876 -0.706 18818 15732 1 28 . 1 1 49 49 LEU C C 49 179.100 179.100 178.376 0.724 18818 15733 1 28 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.778 1.222 18818 15734 1 28 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.059 0.241 18818 15735 1 28 . 1 1 49 49 LEU H H 49 7.980 7.980 8.058 -0.078 18818 15736 1 28 . 1 1 50 50 VAL N N 50 118.200 118.200 119.971 -1.771 18818 15737 1 28 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.640 -0.090 18818 15738 1 28 . 1 1 50 50 VAL C C 50 178.800 178.800 178.151 0.649 18818 15739 1 28 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.209 -0.809 18818 15740 1 28 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.127 0.373 18818 15741 1 28 . 1 1 50 50 VAL H H 50 8.390 8.390 7.577 0.813 18818 15742 1 28 . 1 1 51 51 THR N N 51 115.000 115.000 113.805 1.195 18818 15743 1 28 . 1 1 51 51 THR HA H 51 3.990 3.990 4.135 -0.145 18818 15744 1 28 . 1 1 51 51 THR C C 51 176.000 176.000 176.302 -0.302 18818 15745 1 28 . 1 1 51 51 THR CA C 51 65.800 65.800 65.156 0.644 18818 15746 1 28 . 1 1 51 51 THR CB C 51 68.900 68.900 68.487 0.413 18818 15747 1 28 . 1 1 51 51 THR H H 51 8.480 8.480 7.579 0.901 18818 15748 1 28 . 1 1 52 52 GLN N N 52 116.400 116.400 119.771 -3.371 18818 15749 1 28 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.253 -0.003 18818 15750 1 28 . 1 1 52 52 GLN C C 52 178.300 178.300 177.780 0.520 18818 15751 1 28 . 1 1 52 52 GLN CA C 52 57.800 57.800 58.072 -0.272 18818 15752 1 28 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.285 -0.784 18818 15753 1 28 . 1 1 52 52 GLN H H 52 8.180 8.180 7.850 0.330 18818 15754 1 28 . 1 1 53 53 GLN N N 53 112.100 112.100 114.485 -2.385 18818 15755 1 28 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.548 0.302 18818 15756 1 28 . 1 1 53 53 GLN C C 53 176.900 176.900 176.319 0.581 18818 15757 1 28 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.154 -1.154 18818 15758 1 28 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.067 -2.667 18818 15759 1 28 . 1 1 53 53 GLN H H 53 8.490 8.490 8.007 0.483 18818 15760 1 28 . 1 1 54 54 LEU N N 54 119.800 119.800 120.501 -0.701 18818 15761 1 28 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.886 0.364 18818 15762 1 28 . 1 1 54 54 LEU C C 54 176.900 176.900 175.076 1.824 18818 15763 1 28 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.388 1.512 18818 15764 1 28 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.727 0.373 18818 15765 1 28 . 1 1 54 54 LEU H H 54 7.920 7.920 7.620 0.300 18818 15766 1 28 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.443 0.027 18818 15767 1 28 . 1 1 55 55 PRO C C 55 178.300 178.300 177.871 0.429 18818 15768 1 28 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.799 0.502 18818 15769 1 28 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.905 -1.205 18818 15770 1 28 . 1 1 56 56 HIS N N 56 116.500 116.500 115.799 0.701 18818 15771 1 28 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.467 0.123 18818 15772 1 28 . 1 1 56 56 HIS C C 56 176.300 176.300 176.548 -0.248 18818 15773 1 28 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.074 -0.274 18818 15774 1 28 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.230 -0.930 18818 15775 1 28 . 1 1 56 56 HIS H H 56 9.770 9.770 8.229 1.541 18818 15776 1 28 . 1 1 57 57 LEU N N 57 116.600 116.600 119.560 -2.960 18818 15777 1 28 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.298 0.032 18818 15778 1 28 . 1 1 57 57 LEU C C 57 176.400 176.400 175.835 0.565 18818 15779 1 28 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.825 -0.425 18818 15780 1 28 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.316 0.184 18818 15781 1 28 . 1 1 57 57 LEU H H 57 7.830 7.830 8.085 -0.255 18818 15782 1 28 . 1 1 58 58 MET N N 58 118.000 118.000 115.567 2.433 18818 15783 1 28 . 1 1 58 58 MET HA H 58 4.540 4.540 4.900 -0.360 18818 15784 1 28 . 1 1 58 58 MET C C 58 171.600 171.600 173.202 -1.602 18818 15785 1 28 . 1 1 58 58 MET CA C 58 53.500 53.500 51.845 1.655 18818 15786 1 28 . 1 1 58 58 MET CB C 58 32.700 32.700 34.810 -2.110 18818 15787 1 28 . 1 1 58 58 MET H H 58 7.970 7.970 7.735 0.235 18818 15788 1 28 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.616 -0.166 18818 15789 1 28 . 1 1 59 59 PRO C C 59 177.400 177.400 177.361 0.039 18818 15790 1 28 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.194 0.906 18818 15791 1 28 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.406 -0.506 18818 15792 1 28 . 1 1 60 60 SER N N 60 114.900 114.900 115.560 -0.660 18818 15793 1 28 . 1 1 60 60 SER HA H 60 4.340 4.340 4.258 0.082 18818 15794 1 28 . 1 1 60 60 SER C C 60 174.700 174.700 176.163 -1.463 18818 15795 1 28 . 1 1 60 60 SER CA C 60 59.100 59.100 59.537 -0.437 18818 15796 1 28 . 1 1 60 60 SER CB C 60 63.200 63.200 63.995 -0.795 18818 15797 1 28 . 1 1 60 60 SER H H 60 8.360 8.360 8.430 -0.070 18818 15798 1 28 . 1 1 61 61 ASN N N 61 120.800 120.800 119.739 1.061 18818 15799 1 28 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.461 0.349 18818 15800 1 28 . 1 1 61 61 ASN C C 61 175.500 175.500 174.722 0.778 18818 15801 1 28 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.197 -2.197 18818 15802 1 28 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.782 0.118 18818 15803 1 28 . 1 1 61 61 ASN H H 61 7.990 7.990 8.987 -0.997 18818 15804 1 28 . 1 1 62 62 CYS N N 62 117.800 117.800 118.019 -0.219 18818 15805 1 28 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.595 -0.005 18818 15806 1 28 . 1 1 62 62 CYS C C 62 175.300 175.300 176.882 -1.582 18818 15807 1 28 . 1 1 62 62 CYS CA C 62 59.200 59.200 59.304 -0.104 18818 15808 1 28 . 1 1 62 62 CYS CB C 62 27.400 27.400 29.062 -1.662 18818 15809 1 28 . 1 1 62 62 CYS H H 62 8.260 8.260 7.880 0.380 18818 15810 1 28 . 1 1 63 63 GLY N N 63 111.300 111.300 108.252 3.048 18818 15811 1 28 . 1 1 63 63 GLY C C 63 175.600 175.600 174.894 0.706 18818 15812 1 28 . 1 1 63 63 GLY CA C 63 46.300 46.300 46.985 -0.685 18818 15813 1 28 . 1 1 63 63 GLY H H 63 8.520 8.520 8.494 0.026 18818 15814 1 28 . 1 1 64 64 LEU N N 64 122.400 122.400 120.157 2.243 18818 15815 1 28 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.490 -0.440 18818 15816 1 28 . 1 1 64 64 LEU C C 64 177.900 177.900 178.281 -0.381 18818 15817 1 28 . 1 1 64 64 LEU CA C 64 57.600 57.600 57.322 0.278 18818 15818 1 28 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.618 0.382 18818 15819 1 28 . 1 1 64 64 LEU H H 64 7.910 7.910 7.593 0.317 18818 15820 1 28 . 1 1 65 65 GLU N N 65 117.900 117.900 118.626 -0.726 18818 15821 1 28 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.957 -0.047 18818 15822 1 28 . 1 1 65 65 GLU C C 65 179.100 179.100 177.771 1.329 18818 15823 1 28 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.840 1.160 18818 15824 1 28 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.490 -0.090 18818 15825 1 28 . 1 1 65 65 GLU H H 65 8.660 8.660 8.890 -0.230 18818 15826 1 28 . 1 1 66 66 GLU N N 66 120.000 120.000 119.443 0.557 18818 15827 1 28 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.072 0.048 18818 15828 1 28 . 1 1 66 66 GLU C C 66 178.200 178.200 178.655 -0.455 18818 15829 1 28 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.884 0.216 18818 15830 1 28 . 1 1 66 66 GLU CB C 66 29.100 29.100 28.787 0.313 18818 15831 1 28 . 1 1 66 66 GLU H H 66 8.220 8.220 8.868 -0.648 18818 15832 1 28 . 1 1 67 67 LYS N N 67 119.300 119.300 118.811 0.489 18818 15833 1 28 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.141 -0.001 18818 15834 1 28 . 1 1 67 67 LYS C C 67 179.400 179.400 178.978 0.422 18818 15835 1 28 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.689 1.211 18818 15836 1 28 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.059 0.041 18818 15837 1 28 . 1 1 67 67 LYS H H 67 7.780 7.780 7.729 0.051 18818 15838 1 28 . 1 1 68 68 ILE N N 68 118.400 118.400 119.756 -1.356 18818 15839 1 28 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.737 -0.017 18818 15840 1 28 . 1 1 68 68 ILE C C 68 177.800 177.800 177.630 0.170 18818 15841 1 28 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.376 0.124 18818 15842 1 28 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.593 -0.293 18818 15843 1 28 . 1 1 68 68 ILE H H 68 8.230 8.230 7.367 0.863 18818 15844 1 28 . 1 1 69 69 ALA N N 69 122.900 122.900 121.173 1.727 18818 15845 1 28 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.007 0.213 18818 15846 1 28 . 1 1 69 69 ALA C C 69 179.600 179.600 179.911 -0.311 18818 15847 1 28 . 1 1 69 69 ALA CA C 69 54.400 54.400 55.046 -0.646 18818 15848 1 28 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.285 -0.385 18818 15849 1 28 . 1 1 69 69 ALA H H 69 8.070 8.070 8.270 -0.200 18818 15850 1 28 . 1 1 70 70 ASN N N 70 115.400 115.400 116.802 -1.402 18818 15851 1 28 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.570 0.300 18818 15852 1 28 . 1 1 70 70 ASN C C 70 176.500 176.500 176.292 0.208 18818 15853 1 28 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.238 -0.938 18818 15854 1 28 . 1 1 70 70 ASN CB C 70 38.700 38.700 38.706 -0.007 18818 15855 1 28 . 1 1 70 70 ASN H H 70 7.880 7.880 7.879 0.001 18818 15856 1 28 . 1 1 71 71 LEU N N 71 120.600 120.600 118.623 1.977 18818 15857 1 28 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.395 -0.065 18818 15858 1 28 . 1 1 71 71 LEU C C 71 178.300 178.300 176.481 1.819 18818 15859 1 28 . 1 1 71 71 LEU CA C 71 56.300 56.300 54.882 1.418 18818 15860 1 28 . 1 1 71 71 LEU CB C 71 42.300 42.300 42.612 -0.312 18818 15861 1 28 . 1 1 71 71 LEU H H 71 7.820 7.820 7.376 0.444 18818 15862 1 28 . 1 1 72 72 GLY N N 72 106.800 106.800 107.676 -0.876 18818 15863 1 28 . 1 1 72 72 GLY C C 72 174.400 174.400 174.144 0.256 18818 15864 1 28 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.931 -0.230 18818 15865 1 28 . 1 1 72 72 GLY H H 72 8.240 8.240 7.557 0.683 18818 15866 1 28 . 1 1 73 73 SER N N 73 115.600 115.600 116.464 -0.864 18818 15867 1 28 . 1 1 73 73 SER HA H 73 4.570 4.570 4.826 -0.256 18818 15868 1 28 . 1 1 73 73 SER C C 73 175.000 175.000 173.879 1.121 18818 15869 1 28 . 1 1 73 73 SER CA C 73 58.900 58.900 57.904 0.997 18818 15870 1 28 . 1 1 73 73 SER CB C 73 63.600 63.600 64.519 -0.919 18818 15871 1 28 . 1 1 73 73 SER H H 73 8.220 8.220 8.459 -0.239 18818 15872 1 28 . 1 1 74 74 CYS N N 74 119.300 119.300 119.557 -0.257 18818 15873 1 28 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.591 0.059 18818 15874 1 28 . 1 1 74 74 CYS C C 74 174.500 174.500 174.271 0.229 18818 15875 1 28 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.915 -0.215 18818 15876 1 28 . 1 1 74 74 CYS CB C 74 27.700 27.700 30.047 -2.347 18818 15877 1 28 . 1 1 74 74 CYS H H 74 8.260 8.260 8.535 -0.275 18818 15878 1 28 . 1 1 75 75 ASN N N 75 120.000 120.000 118.407 1.593 18818 15879 1 28 . 1 1 75 75 ASN HA H 75 4.840 4.840 5.034 -0.194 18818 15880 1 28 . 1 1 75 75 ASN C C 75 174.700 174.700 173.655 1.045 18818 15881 1 28 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.065 0.735 18818 15882 1 28 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.627 -0.727 18818 15883 1 28 . 1 1 75 75 ASN H H 75 8.430 8.430 8.703 -0.273 18818 15884 1 28 . 1 1 76 76 ASP N N 76 119.200 119.200 118.637 0.563 18818 15885 1 28 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.712 -0.042 18818 15886 1 28 . 1 1 76 76 ASP C C 76 175.500 175.500 176.867 -1.367 18818 15887 1 28 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.605 -1.205 18818 15888 1 28 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.435 -0.836 18818 15889 1 28 . 1 1 76 76 ASP H H 76 8.300 8.300 8.210 0.090 18818 15890 1 28 . 1 1 77 77 SER N N 77 112.800 112.800 113.989 -1.189 18818 15891 1 28 . 1 1 77 77 SER HA H 77 4.260 4.260 4.391 -0.131 18818 15892 1 28 . 1 1 77 77 SER C C 77 173.300 173.300 174.490 -1.190 18818 15893 1 28 . 1 1 77 77 SER CA C 77 59.000 59.000 58.880 0.120 18818 15894 1 28 . 1 1 77 77 SER CB C 77 63.100 63.100 63.442 -0.342 18818 15895 1 28 . 1 1 77 77 SER H H 77 8.220 8.220 8.035 0.185 18818 15896 1 28 . 1 1 78 78 LYS N N 78 120.600 120.600 119.040 1.560 18818 15897 1 28 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.491 0.069 18818 15898 1 28 . 1 1 78 78 LYS C C 78 175.300 175.300 173.797 1.503 18818 15899 1 28 . 1 1 78 78 LYS CA C 78 55.600 55.600 55.718 -0.118 18818 15900 1 28 . 1 1 78 78 LYS CB C 78 33.300 33.300 33.897 -0.597 18818 15901 1 28 . 1 1 78 78 LYS H H 78 7.930 7.930 7.562 0.368 18818 15902 1 28 . 1 1 79 79 LEU N N 79 123.700 123.700 121.384 2.316 18818 15903 1 28 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.684 0.096 18818 15904 1 28 . 1 1 79 79 LEU C C 79 176.100 176.100 175.399 0.701 18818 15905 1 28 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.138 0.062 18818 15906 1 28 . 1 1 79 79 LEU CB C 79 42.000 42.000 45.222 -3.222 18818 15907 1 28 . 1 1 79 79 LEU H H 79 9.020 9.020 8.299 0.721 18818 15908 1 28 . 1 1 80 80 GLU N N 80 121.200 121.200 117.995 3.205 18818 15909 1 28 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.750 0.150 18818 15910 1 28 . 1 1 80 80 GLU C C 80 177.100 177.100 177.503 -0.403 18818 15911 1 28 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.587 0.613 18818 15912 1 28 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.547 -0.947 18818 15913 1 28 . 1 1 80 80 GLU H H 80 8.630 8.630 8.095 0.535 18818 15914 1 28 . 1 1 81 81 PHE N N 81 123.500 123.500 124.927 -1.427 18818 15915 1 28 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.333 0.197 18818 15916 1 28 . 1 1 81 81 PHE C C 81 177.000 177.000 177.107 -0.107 18818 15917 1 28 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.104 0.196 18818 15918 1 28 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.129 -0.629 18818 15919 1 28 . 1 1 81 81 PHE H H 81 9.360 9.360 9.296 0.064 18818 15920 1 28 . 1 1 82 82 ARG N N 82 116.500 116.500 118.905 -2.405 18818 15921 1 28 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.216 -0.176 18818 15922 1 28 . 1 1 82 82 ARG C C 82 178.000 178.000 178.659 -0.659 18818 15923 1 28 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.937 0.263 18818 15924 1 28 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.774 -0.574 18818 15925 1 28 . 1 1 82 82 ARG H H 82 8.940 8.940 8.719 0.221 18818 15926 1 28 . 1 1 83 83 SER N N 83 115.700 115.700 113.997 1.703 18818 15927 1 28 . 1 1 83 83 SER HA H 83 4.510 4.510 4.341 0.169 18818 15928 1 28 . 1 1 83 83 SER C C 83 175.800 175.800 176.300 -0.500 18818 15929 1 28 . 1 1 83 83 SER CA C 83 61.700 61.700 60.969 0.731 18818 15930 1 28 . 1 1 83 83 SER CB C 83 62.700 62.700 63.100 -0.400 18818 15931 1 28 . 1 1 83 83 SER H H 83 7.610 7.610 8.116 -0.506 18818 15932 1 28 . 1 1 84 84 PHE N N 84 122.200 122.200 123.356 -1.156 18818 15933 1 28 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.313 -0.093 18818 15934 1 28 . 1 1 84 84 PHE C C 84 175.000 175.000 176.445 -1.445 18818 15935 1 28 . 1 1 84 84 PHE CA C 84 60.000 60.000 60.848 -0.848 18818 15936 1 28 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.532 -0.332 18818 15937 1 28 . 1 1 84 84 PHE H H 84 7.490 7.490 7.728 -0.238 18818 15938 1 28 . 1 1 85 85 TRP N N 85 120.700 120.700 120.703 -0.003 18818 15939 1 28 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.075 -0.315 18818 15940 1 28 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.919 -1.119 18818 15941 1 28 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.605 -0.405 18818 15942 1 28 . 1 1 85 85 TRP H H 85 8.770 8.770 7.926 0.845 18818 15943 1 28 . 1 1 86 86 GLU N N 86 119.100 119.100 117.673 1.427 18818 15944 1 28 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.879 0.201 18818 15945 1 28 . 1 1 86 86 GLU C C 86 179.100 179.100 178.860 0.240 18818 15946 1 28 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.632 -0.332 18818 15947 1 28 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.418 0.082 18818 15948 1 28 . 1 1 86 86 GLU H H 86 8.150 8.150 8.480 -0.330 18818 15949 1 28 . 1 1 87 87 LEU N N 87 120.800 120.800 118.859 1.941 18818 15950 1 28 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.063 -0.013 18818 15951 1 28 . 1 1 87 87 LEU C C 87 178.900 178.900 178.697 0.203 18818 15952 1 28 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.429 1.471 18818 15953 1 28 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.953 -0.653 18818 15954 1 28 . 1 1 87 87 LEU H H 87 7.600 7.600 7.392 0.208 18818 15955 1 28 . 1 1 88 88 ILE N N 88 115.200 115.200 120.283 -5.083 18818 15956 1 28 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.394 0.186 18818 15957 1 28 . 1 1 88 88 ILE C C 88 177.300 177.300 177.610 -0.310 18818 15958 1 28 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.086 -2.086 18818 15959 1 28 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.841 -1.241 18818 15960 1 28 . 1 1 88 88 ILE H H 88 7.960 7.960 7.664 0.296 18818 15961 1 28 . 1 1 89 89 GLY N N 89 108.100 108.100 107.427 0.673 18818 15962 1 28 . 1 1 89 89 GLY C C 89 175.700 175.700 175.579 0.121 18818 15963 1 28 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.898 -1.498 18818 15964 1 28 . 1 1 89 89 GLY H H 89 7.620 7.620 7.846 -0.226 18818 15965 1 28 . 1 1 90 90 GLU N N 90 120.000 120.000 121.010 -1.010 18818 15966 1 28 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.051 -0.091 18818 15967 1 28 . 1 1 90 90 GLU C C 90 179.100 179.100 178.943 0.157 18818 15968 1 28 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.082 0.118 18818 15969 1 28 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.204 -0.404 18818 15970 1 28 . 1 1 90 90 GLU H H 90 7.410 7.410 7.506 -0.096 18818 15971 1 28 . 1 1 91 91 ALA N N 91 122.400 122.400 123.141 -0.741 18818 15972 1 28 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.988 0.032 18818 15973 1 28 . 1 1 91 91 ALA C C 91 178.700 178.700 179.031 -0.331 18818 15974 1 28 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.833 -0.833 18818 15975 1 28 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.138 -0.138 18818 15976 1 28 . 1 1 91 91 ALA H H 91 7.610 7.610 7.473 0.137 18818 15977 1 28 . 1 1 92 92 ALA N N 92 118.000 118.000 118.188 -0.188 18818 15978 1 28 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.077 -0.407 18818 15979 1 28 . 1 1 92 92 ALA C C 92 177.900 177.900 179.380 -1.480 18818 15980 1 28 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.599 0.301 18818 15981 1 28 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.093 -0.193 18818 15982 1 28 . 1 1 92 92 ALA H H 92 7.740 7.740 7.793 -0.053 18818 15983 1 28 . 1 1 93 93 LYS N N 93 114.600 114.600 118.496 -3.896 18818 15984 1 28 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.075 -0.305 18818 15985 1 28 . 1 1 93 93 LYS C C 93 177.000 177.000 177.040 -0.040 18818 15986 1 28 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.531 -0.031 18818 15987 1 28 . 1 1 93 93 LYS CB C 93 31.800 31.800 31.915 -0.115 18818 15988 1 28 . 1 1 93 93 LYS H H 93 7.200 7.200 7.678 -0.478 18818 15989 1 28 . 1 1 94 94 SER N N 94 113.000 113.000 112.824 0.176 18818 15990 1 28 . 1 1 94 94 SER HA H 94 4.450 4.450 4.517 -0.067 18818 15991 1 28 . 1 1 94 94 SER C C 94 174.500 174.500 173.717 0.783 18818 15992 1 28 . 1 1 94 94 SER CA C 94 58.800 58.800 58.012 0.788 18818 15993 1 28 . 1 1 94 94 SER CB C 94 63.900 63.900 64.435 -0.535 18818 15994 1 28 . 1 1 94 94 SER H H 94 7.530 7.530 7.745 -0.215 18818 15995 1 28 . 1 1 95 95 VAL N N 95 122.100 122.100 119.748 2.352 18818 15996 1 28 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.255 -0.315 18818 15997 1 28 . 1 1 95 95 VAL C C 95 175.400 175.400 173.381 2.019 18818 15998 1 28 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.523 0.677 18818 15999 1 28 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.424 -0.924 18818 16000 1 28 . 1 1 95 95 VAL H H 95 7.440 7.440 7.206 0.234 18818 16001 1 28 . 1 1 96 96 LYS N N 96 126.300 126.300 125.760 0.540 18818 16002 1 28 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.484 -0.084 18818 16003 1 28 . 1 1 96 96 LYS C C 96 176.000 176.000 175.122 0.878 18818 16004 1 28 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.602 0.898 18818 16005 1 28 . 1 1 96 96 LYS CB C 96 32.500 32.500 33.369 -0.869 18818 16006 1 28 . 1 1 96 96 LYS H H 96 8.470 8.470 7.962 0.508 18818 16007 1 28 . 1 1 97 97 LEU N N 97 123.400 123.400 123.210 0.190 18818 16008 1 28 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.341 0.069 18818 16009 1 28 . 1 1 97 97 LEU C C 97 176.700 176.700 177.138 -0.438 18818 16010 1 28 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.149 -0.749 18818 16011 1 28 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.551 -0.251 18818 16012 1 28 . 1 1 97 97 LEU H H 97 8.140 8.140 8.301 -0.161 18818 16013 1 28 . 1 1 98 98 GLU N N 98 121.400 121.400 125.915 -4.515 18818 16014 1 28 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.223 0.117 18818 16015 1 28 . 1 1 98 98 GLU C C 98 175.900 175.900 175.618 0.282 18818 16016 1 28 . 1 1 98 98 GLU CA C 98 56.200 56.200 56.864 -0.664 18818 16017 1 28 . 1 1 98 98 GLU CB C 98 30.100 30.100 28.829 1.271 18818 16018 1 28 . 1 1 98 98 GLU H H 98 8.320 8.320 8.645 -0.325 18818 16019 1 28 . 1 1 99 99 ARG N N 99 122.800 122.800 123.220 -0.420 18818 16020 1 28 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.729 0.081 18818 16021 1 28 . 1 1 99 99 ARG C C 99 173.900 173.900 173.911 -0.011 18818 16022 1 28 . 1 1 99 99 ARG CA C 99 53.600 53.600 52.502 1.098 18818 16023 1 28 . 1 1 99 99 ARG CB C 99 29.900 29.900 30.216 -0.316 18818 16024 1 28 . 1 1 99 99 ARG H H 99 8.280 8.280 7.799 0.481 18818 16025 1 28 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.505 0.015 18818 16026 1 28 . 1 1 100 100 PRO C C 100 176.700 176.700 176.641 0.059 18818 16027 1 28 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.980 -0.180 18818 16028 1 28 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.051 -0.351 18818 16029 1 28 . 1 1 101 101 VAL N N 101 120.500 120.500 119.203 1.297 18818 16030 1 28 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.202 -0.072 18818 16031 1 28 . 1 1 101 101 VAL C C 101 176.000 176.000 175.914 0.086 18818 16032 1 28 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.001 0.099 18818 16033 1 28 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.492 -0.292 18818 16034 1 28 . 1 1 101 101 VAL H H 101 8.230 8.230 7.981 0.249 18818 16035 1 28 . 1 1 102 102 ARG N N 102 124.600 124.600 125.258 -0.658 18818 16036 1 28 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.278 0.142 18818 16037 1 28 . 1 1 102 102 ARG C C 102 176.400 176.400 176.315 0.085 18818 16038 1 28 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.072 -0.172 18818 16039 1 28 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.489 0.211 18818 16040 1 28 . 1 1 102 102 ARG H H 102 8.390 8.390 8.418 -0.028 18818 16041 1 28 . 1 1 103 103 GLY N N 103 110.400 110.400 110.461 -0.061 18818 16042 1 28 . 1 1 103 103 GLY C C 103 172.900 172.900 174.085 -1.185 18818 16043 1 28 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.336 0.664 18818 16044 1 28 . 1 1 103 103 GLY H H 103 8.400 8.400 8.450 -0.050 18818 16045 1 29 . 1 1 5 5 ARG N N 5 124.100 124.100 123.536 0.564 18818 16046 1 29 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.628 -0.578 18818 16047 1 29 . 1 1 5 5 ARG C C 5 173.800 173.800 175.746 -1.946 18818 16048 1 29 . 1 1 5 5 ARG CA C 5 56.000 56.000 55.779 0.221 18818 16049 1 29 . 1 1 5 5 ARG CB C 5 30.700 30.700 32.166 -1.466 18818 16050 1 29 . 1 1 5 5 ARG H H 5 8.570 8.570 8.644 -0.074 18818 16051 1 29 . 1 1 6 6 SER N N 6 117.500 117.500 116.565 0.935 18818 16052 1 29 . 1 1 6 6 SER HA H 6 4.510 4.510 4.553 -0.043 18818 16053 1 29 . 1 1 6 6 SER C C 6 174.100 174.100 174.644 -0.544 18818 16054 1 29 . 1 1 6 6 SER CA C 6 58.000 58.000 58.432 -0.432 18818 16055 1 29 . 1 1 6 6 SER CB C 6 63.700 63.700 64.145 -0.445 18818 16056 1 29 . 1 1 6 6 SER H H 6 8.370 8.370 8.718 -0.348 18818 16057 1 29 . 1 1 7 7 ALA N N 7 125.900 125.900 124.509 1.391 18818 16058 1 29 . 1 1 7 7 ALA HA H 7 4.400 4.400 3.984 0.416 18818 16059 1 29 . 1 1 7 7 ALA C C 7 177.200 177.200 178.481 -1.281 18818 16060 1 29 . 1 1 7 7 ALA CA C 7 52.600 52.600 54.040 -1.440 18818 16061 1 29 . 1 1 7 7 ALA CB C 7 19.000 19.000 16.851 2.149 18818 16062 1 29 . 1 1 7 7 ALA H H 7 8.410 8.410 8.699 -0.289 18818 16063 1 29 . 1 1 8 8 ASN N N 8 117.400 117.400 118.531 -1.131 18818 16064 1 29 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.495 0.275 18818 16065 1 29 . 1 1 8 8 ASN C C 8 174.900 174.900 176.759 -1.859 18818 16066 1 29 . 1 1 8 8 ASN CA C 8 52.900 52.900 56.438 -3.538 18818 16067 1 29 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.382 0.418 18818 16068 1 29 . 1 1 8 8 ASN H H 8 8.360 8.360 8.278 0.082 18818 16069 1 29 . 1 1 9 9 ALA N N 9 124.400 124.400 120.845 3.555 18818 16070 1 29 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.597 -0.247 18818 16071 1 29 . 1 1 9 9 ALA C C 9 177.800 177.800 179.039 -1.239 18818 16072 1 29 . 1 1 9 9 ALA CA C 9 52.700 52.700 54.328 -1.628 18818 16073 1 29 . 1 1 9 9 ALA CB C 9 18.900 18.900 17.924 0.976 18818 16074 1 29 . 1 1 9 9 ALA H H 9 8.270 8.270 8.663 -0.393 18818 16075 1 29 . 1 1 10 10 GLU N N 10 119.300 119.300 117.277 2.023 18818 16076 1 29 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.323 -0.013 18818 16077 1 29 . 1 1 10 10 GLU C C 10 176.400 176.400 176.880 -0.480 18818 16078 1 29 . 1 1 10 10 GLU CA C 10 56.900 56.900 57.962 -1.062 18818 16079 1 29 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.705 -0.105 18818 16080 1 29 . 1 1 10 10 GLU H H 10 8.470 8.470 7.971 0.499 18818 16081 1 29 . 1 1 11 11 ASP N N 11 120.600 120.600 119.441 1.159 18818 16082 1 29 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.606 0.004 18818 16083 1 29 . 1 1 11 11 ASP C C 11 176.100 176.100 175.760 0.340 18818 16084 1 29 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.558 0.742 18818 16085 1 29 . 1 1 11 11 ASP CB C 11 40.800 40.800 42.271 -1.471 18818 16086 1 29 . 1 1 11 11 ASP H H 11 8.200 8.200 7.468 0.732 18818 16087 1 29 . 1 1 12 12 ALA N N 12 123.800 123.800 121.747 2.053 18818 16088 1 29 . 1 1 12 12 ALA HA H 12 4.090 4.090 4.077 0.013 18818 16089 1 29 . 1 1 12 12 ALA C C 12 177.800 177.800 176.670 1.130 18818 16090 1 29 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.031 -0.531 18818 16091 1 29 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.601 0.199 18818 16092 1 29 . 1 1 12 12 ALA H H 12 8.070 8.070 8.005 0.065 18818 16093 1 29 . 1 1 13 13 GLN N N 13 118.500 118.500 116.713 1.787 18818 16094 1 29 . 1 1 13 13 GLN HA H 13 4.270 4.270 3.973 0.297 18818 16095 1 29 . 1 1 13 13 GLN C C 13 175.700 175.700 176.341 -0.641 18818 16096 1 29 . 1 1 13 13 GLN CA C 13 55.900 55.900 57.855 -1.955 18818 16097 1 29 . 1 1 13 13 GLN CB C 13 29.100 29.100 27.345 1.755 18818 16098 1 29 . 1 1 13 13 GLN H H 13 8.230 8.230 9.215 -0.985 18818 16099 1 29 . 1 1 14 14 GLU N N 14 120.600 120.600 117.022 3.578 18818 16100 1 29 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.026 0.274 18818 16101 1 29 . 1 1 14 14 GLU C C 14 175.800 175.800 176.744 -0.944 18818 16102 1 29 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.601 -1.801 18818 16103 1 29 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.636 0.264 18818 16104 1 29 . 1 1 14 14 GLU H H 14 8.100 8.100 8.281 -0.181 18818 16105 1 29 . 1 1 15 15 PHE N N 15 121.100 121.100 116.923 4.177 18818 16106 1 29 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.627 0.253 18818 16107 1 29 . 1 1 15 15 PHE C C 15 176.900 176.900 176.377 0.523 18818 16108 1 29 . 1 1 15 15 PHE CA C 15 55.300 55.300 58.080 -2.780 18818 16109 1 29 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.408 -0.108 18818 16110 1 29 . 1 1 15 15 PHE H H 15 8.030 8.030 7.302 0.728 18818 16111 1 29 . 1 1 16 16 SER N N 16 119.400 119.400 116.614 2.786 18818 16112 1 29 . 1 1 16 16 SER HA H 16 4.850 4.850 4.486 0.364 18818 16113 1 29 . 1 1 16 16 SER C C 16 174.800 174.800 175.891 -1.091 18818 16114 1 29 . 1 1 16 16 SER CA C 16 57.000 57.000 57.251 -0.251 18818 16115 1 29 . 1 1 16 16 SER CB C 16 65.600 65.600 64.540 1.060 18818 16116 1 29 . 1 1 16 16 SER H H 16 9.530 9.530 9.067 0.463 18818 16117 1 29 . 1 1 17 17 ASP N N 17 121.300 121.300 122.513 -1.213 18818 16118 1 29 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.447 0.103 18818 16119 1 29 . 1 1 17 17 ASP C C 17 179.700 179.700 178.524 1.176 18818 16120 1 29 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.836 0.165 18818 16121 1 29 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.576 -1.076 18818 16122 1 29 . 1 1 17 17 ASP H H 17 9.270 9.270 8.879 0.391 18818 16123 1 29 . 1 1 18 18 VAL N N 18 120.600 120.600 119.282 1.318 18818 16124 1 29 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.992 -0.312 18818 16125 1 29 . 1 1 18 18 VAL C C 18 176.900 176.900 177.000 -0.100 18818 16126 1 29 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.275 2.224 18818 16127 1 29 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.055 -0.155 18818 16128 1 29 . 1 1 18 18 VAL H H 18 8.230 8.230 7.889 0.341 18818 16129 1 29 . 1 1 19 19 GLU N N 19 121.000 121.000 120.972 0.028 18818 16130 1 29 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.006 -0.266 18818 16131 1 29 . 1 1 19 19 GLU C C 19 178.600 178.600 178.627 -0.027 18818 16132 1 29 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.801 0.199 18818 16133 1 29 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.531 -0.831 18818 16134 1 29 . 1 1 19 19 GLU H H 19 8.180 8.180 7.840 0.340 18818 16135 1 29 . 1 1 20 20 ARG N N 20 118.100 118.100 117.678 0.422 18818 16136 1 29 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.283 0.017 18818 16137 1 29 . 1 1 20 20 ARG C C 20 178.700 178.700 178.228 0.472 18818 16138 1 29 . 1 1 20 20 ARG CA C 20 59.100 59.100 59.089 0.011 18818 16139 1 29 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.820 -0.120 18818 16140 1 29 . 1 1 20 20 ARG H H 20 8.920 8.920 8.832 0.088 18818 16141 1 29 . 1 1 21 21 ALA N N 21 123.800 123.800 123.192 0.608 18818 16142 1 29 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.211 0.209 18818 16143 1 29 . 1 1 21 21 ALA C C 21 179.300 179.300 179.575 -0.275 18818 16144 1 29 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.642 0.558 18818 16145 1 29 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.297 -0.397 18818 16146 1 29 . 1 1 21 21 ALA H H 21 8.060 8.060 7.550 0.510 18818 16147 1 29 . 1 1 22 22 ILE N N 22 118.200 118.200 119.405 -1.205 18818 16148 1 29 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.594 0.126 18818 16149 1 29 . 1 1 22 22 ILE C C 22 177.500 177.500 177.815 -0.315 18818 16150 1 29 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.835 0.165 18818 16151 1 29 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.598 -0.198 18818 16152 1 29 . 1 1 22 22 ILE H H 22 8.010 8.010 8.279 -0.269 18818 16153 1 29 . 1 1 23 23 GLU N N 23 120.100 120.100 120.262 -0.162 18818 16154 1 29 . 1 1 23 23 GLU HA H 23 3.960 3.960 3.883 0.077 18818 16155 1 29 . 1 1 23 23 GLU C C 23 178.000 178.000 179.001 -1.001 18818 16156 1 29 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.388 -0.088 18818 16157 1 29 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.496 0.004 18818 16158 1 29 . 1 1 23 23 GLU H H 23 8.450 8.450 8.020 0.430 18818 16159 1 29 . 1 1 24 24 THR N N 24 117.300 117.300 115.881 1.419 18818 16160 1 29 . 1 1 24 24 THR HA H 24 4.010 4.010 4.110 -0.100 18818 16161 1 29 . 1 1 24 24 THR C C 24 177.000 177.000 177.003 -0.003 18818 16162 1 29 . 1 1 24 24 THR CA C 24 67.100 67.100 67.064 0.036 18818 16163 1 29 . 1 1 24 24 THR CB C 24 68.200 68.200 68.732 -0.532 18818 16164 1 29 . 1 1 24 24 THR H H 24 8.720 8.720 8.301 0.419 18818 16165 1 29 . 1 1 25 25 LEU N N 25 123.400 123.400 119.557 3.843 18818 16166 1 29 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.493 -0.213 18818 16167 1 29 . 1 1 25 25 LEU C C 25 178.200 178.200 178.173 0.027 18818 16168 1 29 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.878 1.422 18818 16169 1 29 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.511 0.189 18818 16170 1 29 . 1 1 25 25 LEU H H 25 8.150 8.150 7.966 0.184 18818 16171 1 29 . 1 1 26 26 ILE N N 26 119.500 119.500 120.000 -0.500 18818 16172 1 29 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.843 0.157 18818 16173 1 29 . 1 1 26 26 ILE C C 26 177.900 177.900 178.177 -0.277 18818 16174 1 29 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.333 0.767 18818 16175 1 29 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.374 -1.074 18818 16176 1 29 . 1 1 26 26 ILE H H 26 8.510 8.510 8.446 0.064 18818 16177 1 29 . 1 1 27 27 LYS N N 27 120.500 120.500 120.469 0.031 18818 16178 1 29 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.142 0.008 18818 16179 1 29 . 1 1 27 27 LYS C C 27 179.600 179.600 178.939 0.661 18818 16180 1 29 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.480 0.619 18818 16181 1 29 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.442 0.558 18818 16182 1 29 . 1 1 27 27 LYS H H 27 9.000 9.000 8.723 0.277 18818 16183 1 29 . 1 1 28 28 ASN N N 28 117.300 117.300 116.486 0.814 18818 16184 1 29 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.794 -0.234 18818 16185 1 29 . 1 1 28 28 ASN C C 28 176.000 176.000 176.755 -0.755 18818 16186 1 29 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.932 1.768 18818 16187 1 29 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.690 1.610 18818 16188 1 29 . 1 1 28 28 ASN H H 28 7.990 7.990 7.670 0.320 18818 16189 1 29 . 1 1 29 29 PHE N N 29 119.100 119.100 120.721 -1.621 18818 16190 1 29 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.536 0.374 18818 16191 1 29 . 1 1 29 29 PHE C C 29 176.200 176.200 177.366 -1.166 18818 16192 1 29 . 1 1 29 29 PHE CA C 29 61.200 61.200 60.867 0.333 18818 16193 1 29 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.559 0.041 18818 16194 1 29 . 1 1 29 29 PHE H H 29 7.990 7.990 7.854 0.136 18818 16195 1 29 . 1 1 30 30 HIS N N 30 114.700 114.700 116.137 -1.437 18818 16196 1 29 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.140 0.180 18818 16197 1 29 . 1 1 30 30 HIS C C 30 177.400 177.400 176.582 0.818 18818 16198 1 29 . 1 1 30 30 HIS CA C 30 58.500 58.500 59.025 -0.525 18818 16199 1 29 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.507 0.093 18818 16200 1 29 . 1 1 30 30 HIS H H 30 8.180 8.180 7.707 0.473 18818 16201 1 29 . 1 1 31 31 GLN N N 31 118.500 118.500 116.270 2.230 18818 16202 1 29 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.146 -0.066 18818 16203 1 29 . 1 1 31 31 GLN C C 31 176.600 176.600 176.694 -0.094 18818 16204 1 29 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.561 0.239 18818 16205 1 29 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.328 -0.928 18818 16206 1 29 . 1 1 31 31 GLN H H 31 8.280 8.280 8.186 0.094 18818 16207 1 29 . 1 1 32 32 TYR N N 32 115.700 115.700 117.419 -1.719 18818 16208 1 29 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.608 -0.398 18818 16209 1 29 . 1 1 32 32 TYR C C 32 174.800 174.800 175.614 -0.814 18818 16210 1 29 . 1 1 32 32 TYR CA C 32 59.700 59.700 57.304 2.396 18818 16211 1 29 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.192 -1.492 18818 16212 1 29 . 1 1 32 32 TYR H H 32 7.410 7.410 7.839 -0.429 18818 16213 1 29 . 1 1 33 33 SER N N 33 114.000 114.000 118.531 -4.531 18818 16214 1 29 . 1 1 33 33 SER HA H 33 4.530 4.530 4.195 0.335 18818 16215 1 29 . 1 1 33 33 SER C C 33 175.000 175.000 174.328 0.672 18818 16216 1 29 . 1 1 33 33 SER CA C 33 57.200 57.200 58.765 -1.565 18818 16217 1 29 . 1 1 33 33 SER CB C 33 63.200 63.200 61.203 1.997 18818 16218 1 29 . 1 1 33 33 SER H H 33 7.260 7.260 7.907 -0.647 18818 16219 1 29 . 1 1 34 34 VAL N N 34 126.600 126.600 122.048 4.552 18818 16220 1 29 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.990 0.020 18818 16221 1 29 . 1 1 34 34 VAL C C 34 177.800 177.800 176.206 1.594 18818 16222 1 29 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.529 0.871 18818 16223 1 29 . 1 1 34 34 VAL CB C 34 32.100 32.100 32.312 -0.213 18818 16224 1 29 . 1 1 34 34 VAL H H 34 8.490 8.490 8.195 0.295 18818 16225 1 29 . 1 1 35 35 GLU N N 35 122.100 122.100 118.928 3.172 18818 16226 1 29 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.443 -0.193 18818 16227 1 29 . 1 1 35 35 GLU C C 35 177.800 177.800 177.490 0.310 18818 16228 1 29 . 1 1 35 35 GLU CA C 35 57.500 57.500 56.907 0.593 18818 16229 1 29 . 1 1 35 35 GLU CB C 35 29.800 29.800 31.625 -1.825 18818 16230 1 29 . 1 1 35 35 GLU H H 35 8.980 8.980 8.702 0.278 18818 16231 1 29 . 1 1 36 36 GLY N N 36 108.500 108.500 109.594 -1.094 18818 16232 1 29 . 1 1 36 36 GLY C C 36 175.000 175.000 174.671 0.329 18818 16233 1 29 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.458 0.842 18818 16234 1 29 . 1 1 36 36 GLY H H 36 8.490 8.490 7.680 0.810 18818 16235 1 29 . 1 1 37 37 GLY N N 37 108.700 108.700 105.693 3.007 18818 16236 1 29 . 1 1 37 37 GLY C C 37 174.100 174.100 175.492 -1.392 18818 16237 1 29 . 1 1 37 37 GLY CA C 37 45.800 45.800 44.565 1.235 18818 16238 1 29 . 1 1 37 37 GLY H H 37 8.140 8.140 8.328 -0.188 18818 16239 1 29 . 1 1 38 38 LYS N N 38 118.000 118.000 122.463 -4.463 18818 16240 1 29 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.933 0.537 18818 16241 1 29 . 1 1 38 38 LYS C C 38 176.000 176.000 178.598 -2.598 18818 16242 1 29 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.637 -2.537 18818 16243 1 29 . 1 1 38 38 LYS CB C 38 32.700 32.700 32.684 0.016 18818 16244 1 29 . 1 1 38 38 LYS H H 38 8.050 8.050 8.723 -0.673 18818 16245 1 29 . 1 1 39 39 GLU N N 39 118.100 118.100 116.462 1.638 18818 16246 1 29 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.349 0.211 18818 16247 1 29 . 1 1 39 39 GLU C C 39 175.600 175.600 176.479 -0.879 18818 16248 1 29 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.433 -0.633 18818 16249 1 29 . 1 1 39 39 GLU CB C 39 30.200 30.200 29.255 0.945 18818 16250 1 29 . 1 1 39 39 GLU H H 39 8.630 8.630 8.515 0.115 18818 16251 1 29 . 1 1 40 40 THR N N 40 108.100 108.100 109.876 -1.776 18818 16252 1 29 . 1 1 40 40 THR HA H 40 5.160 5.160 4.875 0.285 18818 16253 1 29 . 1 1 40 40 THR C C 40 173.400 173.400 172.974 0.426 18818 16254 1 29 . 1 1 40 40 THR CA C 40 59.300 59.300 59.943 -0.643 18818 16255 1 29 . 1 1 40 40 THR CB C 40 72.100 72.100 71.763 0.337 18818 16256 1 29 . 1 1 40 40 THR H H 40 7.490 7.490 7.940 -0.450 18818 16257 1 29 . 1 1 41 41 LEU N N 41 120.700 120.700 118.917 1.783 18818 16258 1 29 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.597 0.443 18818 16259 1 29 . 1 1 41 41 LEU C C 41 177.000 177.000 176.182 0.818 18818 16260 1 29 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.425 -0.124 18818 16261 1 29 . 1 1 41 41 LEU CB C 41 45.300 45.300 44.871 0.429 18818 16262 1 29 . 1 1 41 41 LEU H H 41 8.660 8.660 8.502 0.158 18818 16263 1 29 . 1 1 42 42 THR N N 42 113.500 113.500 110.007 3.493 18818 16264 1 29 . 1 1 42 42 THR HA H 42 5.000 5.000 4.931 0.069 18818 16265 1 29 . 1 1 42 42 THR C C 42 174.100 174.100 173.682 0.418 18818 16266 1 29 . 1 1 42 42 THR CA C 42 59.800 59.800 58.942 0.858 18818 16267 1 29 . 1 1 42 42 THR CB C 42 68.100 68.100 70.389 -2.289 18818 16268 1 29 . 1 1 42 42 THR H H 42 9.130 9.130 8.602 0.528 18818 16269 1 29 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.161 -0.011 18818 16270 1 29 . 1 1 43 43 PRO C C 43 178.600 178.600 178.629 -0.029 18818 16271 1 29 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.931 0.269 18818 16272 1 29 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.756 -0.056 18818 16273 1 29 . 1 1 44 44 SER N N 44 111.600 111.600 112.929 -1.329 18818 16274 1 29 . 1 1 44 44 SER HA H 44 4.170 4.170 4.129 0.041 18818 16275 1 29 . 1 1 44 44 SER C C 44 176.200 176.200 176.156 0.044 18818 16276 1 29 . 1 1 44 44 SER CA C 44 61.500 61.500 62.018 -0.518 18818 16277 1 29 . 1 1 44 44 SER CB C 44 62.200 62.200 63.192 -0.992 18818 16278 1 29 . 1 1 44 44 SER H H 44 8.090 8.090 7.948 0.142 18818 16279 1 29 . 1 1 45 45 GLU N N 45 123.900 123.900 120.893 3.007 18818 16280 1 29 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.227 0.033 18818 16281 1 29 . 1 1 45 45 GLU C C 45 179.000 179.000 178.366 0.634 18818 16282 1 29 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.152 0.948 18818 16283 1 29 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.160 0.540 18818 16284 1 29 . 1 1 45 45 GLU H H 45 7.700 7.700 7.848 -0.148 18818 16285 1 29 . 1 1 46 46 LEU N N 46 118.900 118.900 122.584 -3.684 18818 16286 1 29 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.995 0.085 18818 16287 1 29 . 1 1 46 46 LEU C C 46 177.600 177.600 178.393 -0.793 18818 16288 1 29 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.186 -0.886 18818 16289 1 29 . 1 1 46 46 LEU CB C 46 40.900 40.900 42.078 -1.177 18818 16290 1 29 . 1 1 46 46 LEU H H 46 8.400 8.400 8.113 0.287 18818 16291 1 29 . 1 1 47 47 ARG N N 47 119.300 119.300 115.495 3.805 18818 16292 1 29 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.089 -0.319 18818 16293 1 29 . 1 1 47 47 ARG C C 47 178.900 178.900 178.359 0.541 18818 16294 1 29 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.628 1.372 18818 16295 1 29 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.369 -0.369 18818 16296 1 29 . 1 1 47 47 ARG H H 47 8.260 8.260 7.590 0.670 18818 16297 1 29 . 1 1 48 48 ASP N N 48 122.300 122.300 120.768 1.532 18818 16298 1 29 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.644 -0.214 18818 16299 1 29 . 1 1 48 48 ASP C C 48 176.700 176.700 178.103 -1.403 18818 16300 1 29 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.434 0.066 18818 16301 1 29 . 1 1 48 48 ASP CB C 48 39.400 39.400 42.527 -3.127 18818 16302 1 29 . 1 1 48 48 ASP H H 48 8.160 8.160 7.486 0.674 18818 16303 1 29 . 1 1 49 49 LEU N N 49 122.600 122.600 119.530 3.070 18818 16304 1 29 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.868 -0.698 18818 16305 1 29 . 1 1 49 49 LEU C C 49 179.100 179.100 178.112 0.988 18818 16306 1 29 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.716 1.284 18818 16307 1 29 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.401 -0.102 18818 16308 1 29 . 1 1 49 49 LEU H H 49 7.980 7.980 8.181 -0.201 18818 16309 1 29 . 1 1 50 50 VAL N N 50 118.200 118.200 119.125 -0.925 18818 16310 1 29 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.511 0.039 18818 16311 1 29 . 1 1 50 50 VAL C C 50 178.800 178.800 177.924 0.876 18818 16312 1 29 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.902 -0.502 18818 16313 1 29 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.361 0.139 18818 16314 1 29 . 1 1 50 50 VAL H H 50 8.390 8.390 7.780 0.610 18818 16315 1 29 . 1 1 51 51 THR N N 51 115.000 115.000 114.200 0.800 18818 16316 1 29 . 1 1 51 51 THR HA H 51 3.990 3.990 4.041 -0.051 18818 16317 1 29 . 1 1 51 51 THR C C 51 176.000 176.000 175.913 0.087 18818 16318 1 29 . 1 1 51 51 THR CA C 51 65.800 65.800 65.255 0.545 18818 16319 1 29 . 1 1 51 51 THR CB C 51 68.900 68.900 68.599 0.301 18818 16320 1 29 . 1 1 51 51 THR H H 51 8.480 8.480 8.200 0.280 18818 16321 1 29 . 1 1 52 52 GLN N N 52 116.400 116.400 117.649 -1.249 18818 16322 1 29 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.294 -0.044 18818 16323 1 29 . 1 1 52 52 GLN C C 52 178.300 178.300 176.668 1.632 18818 16324 1 29 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.807 -0.007 18818 16325 1 29 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.298 -0.798 18818 16326 1 29 . 1 1 52 52 GLN H H 52 8.180 8.180 7.648 0.532 18818 16327 1 29 . 1 1 53 53 GLN N N 53 112.100 112.100 116.715 -4.615 18818 16328 1 29 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.492 0.358 18818 16329 1 29 . 1 1 53 53 GLN C C 53 176.900 176.900 176.451 0.449 18818 16330 1 29 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.166 -1.166 18818 16331 1 29 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.602 -3.202 18818 16332 1 29 . 1 1 53 53 GLN H H 53 8.490 8.490 7.962 0.528 18818 16333 1 29 . 1 1 54 54 LEU N N 54 119.800 119.800 120.189 -0.389 18818 16334 1 29 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.855 0.395 18818 16335 1 29 . 1 1 54 54 LEU C C 54 176.900 176.900 174.851 2.049 18818 16336 1 29 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.456 1.444 18818 16337 1 29 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.888 0.212 18818 16338 1 29 . 1 1 54 54 LEU H H 54 7.920 7.920 7.967 -0.047 18818 16339 1 29 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.324 0.146 18818 16340 1 29 . 1 1 55 55 PRO C C 55 178.300 178.300 177.574 0.726 18818 16341 1 29 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.771 0.529 18818 16342 1 29 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.901 -1.202 18818 16343 1 29 . 1 1 56 56 HIS N N 56 116.500 116.500 116.289 0.211 18818 16344 1 29 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.451 0.139 18818 16345 1 29 . 1 1 56 56 HIS C C 56 176.300 176.300 176.545 -0.245 18818 16346 1 29 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.130 -0.330 18818 16347 1 29 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.120 -0.820 18818 16348 1 29 . 1 1 56 56 HIS H H 56 9.770 9.770 8.190 1.580 18818 16349 1 29 . 1 1 57 57 LEU N N 57 116.600 116.600 119.467 -2.867 18818 16350 1 29 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.245 0.085 18818 16351 1 29 . 1 1 57 57 LEU C C 57 176.400 176.400 176.680 -0.280 18818 16352 1 29 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.909 -0.509 18818 16353 1 29 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.378 0.122 18818 16354 1 29 . 1 1 57 57 LEU H H 57 7.830 7.830 7.983 -0.153 18818 16355 1 29 . 1 1 58 58 MET N N 58 118.000 118.000 118.611 -0.611 18818 16356 1 29 . 1 1 58 58 MET HA H 58 4.540 4.540 4.807 -0.267 18818 16357 1 29 . 1 1 58 58 MET C C 58 171.600 171.600 173.204 -1.604 18818 16358 1 29 . 1 1 58 58 MET CA C 58 53.500 53.500 52.956 0.544 18818 16359 1 29 . 1 1 58 58 MET CB C 58 32.700 32.700 34.118 -1.418 18818 16360 1 29 . 1 1 58 58 MET H H 58 7.970 7.970 7.749 0.221 18818 16361 1 29 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.461 -0.011 18818 16362 1 29 . 1 1 59 59 PRO C C 59 177.400 177.400 177.199 0.201 18818 16363 1 29 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.672 0.428 18818 16364 1 29 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.158 -0.258 18818 16365 1 29 . 1 1 60 60 SER N N 60 114.900 114.900 120.618 -5.718 18818 16366 1 29 . 1 1 60 60 SER HA H 60 4.340 4.340 4.182 0.158 18818 16367 1 29 . 1 1 60 60 SER C C 60 174.700 174.700 176.005 -1.305 18818 16368 1 29 . 1 1 60 60 SER CA C 60 59.100 59.100 60.590 -1.490 18818 16369 1 29 . 1 1 60 60 SER CB C 60 63.200 63.200 63.380 -0.180 18818 16370 1 29 . 1 1 60 60 SER H H 60 8.360 8.360 8.685 -0.325 18818 16371 1 29 . 1 1 61 61 ASN N N 61 120.800 120.800 120.383 0.417 18818 16372 1 29 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.377 0.433 18818 16373 1 29 . 1 1 61 61 ASN C C 61 175.500 175.500 175.153 0.347 18818 16374 1 29 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.695 -2.695 18818 16375 1 29 . 1 1 61 61 ASN CB C 61 37.900 37.900 37.996 -0.096 18818 16376 1 29 . 1 1 61 61 ASN H H 61 7.990 7.990 8.965 -0.975 18818 16377 1 29 . 1 1 62 62 CYS N N 62 117.800 117.800 118.461 -0.661 18818 16378 1 29 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.577 0.013 18818 16379 1 29 . 1 1 62 62 CYS C C 62 175.300 175.300 176.008 -0.708 18818 16380 1 29 . 1 1 62 62 CYS CA C 62 59.200 59.200 61.104 -1.904 18818 16381 1 29 . 1 1 62 62 CYS CB C 62 27.400 27.400 29.887 -2.487 18818 16382 1 29 . 1 1 62 62 CYS H H 62 8.260 8.260 7.978 0.282 18818 16383 1 29 . 1 1 63 63 GLY N N 63 111.300 111.300 107.916 3.384 18818 16384 1 29 . 1 1 63 63 GLY C C 63 175.600 175.600 175.054 0.546 18818 16385 1 29 . 1 1 63 63 GLY CA C 63 46.300 46.300 47.382 -1.081 18818 16386 1 29 . 1 1 63 63 GLY H H 63 8.520 8.520 8.407 0.113 18818 16387 1 29 . 1 1 64 64 LEU N N 64 122.400 122.400 116.026 6.374 18818 16388 1 29 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.616 -0.566 18818 16389 1 29 . 1 1 64 64 LEU C C 64 177.900 177.900 177.368 0.532 18818 16390 1 29 . 1 1 64 64 LEU CA C 64 57.600 57.600 55.676 1.923 18818 16391 1 29 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.563 0.437 18818 16392 1 29 . 1 1 64 64 LEU H H 64 7.910 7.910 7.634 0.276 18818 16393 1 29 . 1 1 65 65 GLU N N 65 117.900 117.900 119.304 -1.404 18818 16394 1 29 . 1 1 65 65 GLU HA H 65 3.910 3.910 4.115 -0.205 18818 16395 1 29 . 1 1 65 65 GLU C C 65 179.100 179.100 178.235 0.865 18818 16396 1 29 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.453 1.547 18818 16397 1 29 . 1 1 65 65 GLU CB C 65 28.400 28.400 29.895 -1.494 18818 16398 1 29 . 1 1 65 65 GLU H H 65 8.660 8.660 7.608 1.052 18818 16399 1 29 . 1 1 66 66 GLU N N 66 120.000 120.000 119.717 0.283 18818 16400 1 29 . 1 1 66 66 GLU HA H 66 4.120 4.120 3.964 0.156 18818 16401 1 29 . 1 1 66 66 GLU C C 66 178.200 178.200 178.430 -0.230 18818 16402 1 29 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.231 -0.131 18818 16403 1 29 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.038 0.062 18818 16404 1 29 . 1 1 66 66 GLU H H 66 8.220 8.220 7.778 0.442 18818 16405 1 29 . 1 1 67 67 LYS N N 67 119.300 119.300 118.517 0.783 18818 16406 1 29 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.108 0.032 18818 16407 1 29 . 1 1 67 67 LYS C C 67 179.400 179.400 178.608 0.792 18818 16408 1 29 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.988 0.912 18818 16409 1 29 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.588 0.512 18818 16410 1 29 . 1 1 67 67 LYS H H 67 7.780 7.780 8.267 -0.487 18818 16411 1 29 . 1 1 68 68 ILE N N 68 118.400 118.400 119.937 -1.537 18818 16412 1 29 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.767 -0.047 18818 16413 1 29 . 1 1 68 68 ILE C C 68 177.800 177.800 177.431 0.369 18818 16414 1 29 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.235 0.265 18818 16415 1 29 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.817 -0.517 18818 16416 1 29 . 1 1 68 68 ILE H H 68 8.230 8.230 7.788 0.442 18818 16417 1 29 . 1 1 69 69 ALA N N 69 122.900 122.900 120.753 2.147 18818 16418 1 29 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.042 0.178 18818 16419 1 29 . 1 1 69 69 ALA C C 69 179.600 179.600 178.712 0.888 18818 16420 1 29 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.614 -0.214 18818 16421 1 29 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.755 -0.855 18818 16422 1 29 . 1 1 69 69 ALA H H 69 8.070 8.070 7.670 0.400 18818 16423 1 29 . 1 1 70 70 ASN N N 70 115.400 115.400 115.443 -0.043 18818 16424 1 29 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.692 0.178 18818 16425 1 29 . 1 1 70 70 ASN C C 70 176.500 176.500 177.226 -0.726 18818 16426 1 29 . 1 1 70 70 ASN CA C 70 54.300 54.300 54.326 -0.026 18818 16427 1 29 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.051 -0.351 18818 16428 1 29 . 1 1 70 70 ASN H H 70 7.880 7.880 8.030 -0.150 18818 16429 1 29 . 1 1 71 71 LEU N N 71 120.600 120.600 116.197 4.403 18818 16430 1 29 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.334 -0.004 18818 16431 1 29 . 1 1 71 71 LEU C C 71 178.300 178.300 177.767 0.533 18818 16432 1 29 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.523 0.777 18818 16433 1 29 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.910 0.390 18818 16434 1 29 . 1 1 71 71 LEU H H 71 7.820 7.820 7.543 0.277 18818 16435 1 29 . 1 1 72 72 GLY N N 72 106.800 106.800 107.392 -0.592 18818 16436 1 29 . 1 1 72 72 GLY C C 72 174.400 174.400 172.848 1.552 18818 16437 1 29 . 1 1 72 72 GLY CA C 72 45.700 45.700 44.109 1.591 18818 16438 1 29 . 1 1 72 72 GLY H H 72 8.240 8.240 7.832 0.408 18818 16439 1 29 . 1 1 73 73 SER N N 73 115.600 115.600 115.359 0.241 18818 16440 1 29 . 1 1 73 73 SER HA H 73 4.570 4.570 4.509 0.061 18818 16441 1 29 . 1 1 73 73 SER C C 73 175.000 175.000 175.375 -0.375 18818 16442 1 29 . 1 1 73 73 SER CA C 73 58.900 58.900 58.062 0.838 18818 16443 1 29 . 1 1 73 73 SER CB C 73 63.600 63.600 64.055 -0.455 18818 16444 1 29 . 1 1 73 73 SER H H 73 8.220 8.220 8.278 -0.058 18818 16445 1 29 . 1 1 74 74 CYS N N 74 119.300 119.300 123.028 -3.728 18818 16446 1 29 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.341 0.309 18818 16447 1 29 . 1 1 74 74 CYS C C 74 174.500 174.500 174.467 0.033 18818 16448 1 29 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.418 0.282 18818 16449 1 29 . 1 1 74 74 CYS CB C 74 27.700 27.700 25.668 2.032 18818 16450 1 29 . 1 1 74 74 CYS H H 74 8.260 8.260 8.464 -0.204 18818 16451 1 29 . 1 1 75 75 ASN N N 75 120.000 120.000 122.256 -2.256 18818 16452 1 29 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.486 0.354 18818 16453 1 29 . 1 1 75 75 ASN C C 75 174.700 174.700 175.772 -1.072 18818 16454 1 29 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.474 0.326 18818 16455 1 29 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.518 -0.618 18818 16456 1 29 . 1 1 75 75 ASN H H 75 8.430 8.430 7.986 0.444 18818 16457 1 29 . 1 1 76 76 ASP N N 76 119.200 119.200 123.574 -4.374 18818 16458 1 29 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.436 0.234 18818 16459 1 29 . 1 1 76 76 ASP C C 76 175.500 175.500 176.843 -1.343 18818 16460 1 29 . 1 1 76 76 ASP CA C 76 54.400 54.400 56.103 -1.703 18818 16461 1 29 . 1 1 76 76 ASP CB C 76 40.600 40.600 40.990 -0.390 18818 16462 1 29 . 1 1 76 76 ASP H H 76 8.300 8.300 8.840 -0.540 18818 16463 1 29 . 1 1 77 77 SER N N 77 112.800 112.800 114.091 -1.291 18818 16464 1 29 . 1 1 77 77 SER HA H 77 4.260 4.260 4.508 -0.248 18818 16465 1 29 . 1 1 77 77 SER C C 77 173.300 173.300 173.989 -0.689 18818 16466 1 29 . 1 1 77 77 SER CA C 77 59.000 59.000 59.250 -0.250 18818 16467 1 29 . 1 1 77 77 SER CB C 77 63.100 63.100 63.194 -0.094 18818 16468 1 29 . 1 1 77 77 SER H H 77 8.220 8.220 8.283 -0.063 18818 16469 1 29 . 1 1 78 78 LYS N N 78 120.600 120.600 117.295 3.305 18818 16470 1 29 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.990 0.570 18818 16471 1 29 . 1 1 78 78 LYS C C 78 175.300 175.300 176.777 -1.477 18818 16472 1 29 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.252 -1.653 18818 16473 1 29 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.029 2.271 18818 16474 1 29 . 1 1 78 78 LYS H H 78 7.930 7.930 7.646 0.284 18818 16475 1 29 . 1 1 79 79 LEU N N 79 123.700 123.700 120.904 2.796 18818 16476 1 29 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.350 0.430 18818 16477 1 29 . 1 1 79 79 LEU C C 79 176.100 176.100 177.240 -1.140 18818 16478 1 29 . 1 1 79 79 LEU CA C 79 54.200 54.200 55.610 -1.410 18818 16479 1 29 . 1 1 79 79 LEU CB C 79 42.000 42.000 42.616 -0.616 18818 16480 1 29 . 1 1 79 79 LEU H H 79 9.020 9.020 8.177 0.843 18818 16481 1 29 . 1 1 80 80 GLU N N 80 121.200 121.200 116.292 4.908 18818 16482 1 29 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.911 -0.011 18818 16483 1 29 . 1 1 80 80 GLU C C 80 177.100 177.100 176.778 0.322 18818 16484 1 29 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.957 0.243 18818 16485 1 29 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.550 -0.950 18818 16486 1 29 . 1 1 80 80 GLU H H 80 8.630 8.630 8.053 0.577 18818 16487 1 29 . 1 1 81 81 PHE N N 81 123.500 123.500 123.932 -0.432 18818 16488 1 29 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.021 0.509 18818 16489 1 29 . 1 1 81 81 PHE C C 81 177.000 177.000 176.217 0.783 18818 16490 1 29 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.874 -0.574 18818 16491 1 29 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.288 -0.788 18818 16492 1 29 . 1 1 81 81 PHE H H 81 9.360 9.360 8.217 1.143 18818 16493 1 29 . 1 1 82 82 ARG N N 82 116.500 116.500 117.693 -1.193 18818 16494 1 29 . 1 1 82 82 ARG HA H 82 4.040 4.040 3.959 0.081 18818 16495 1 29 . 1 1 82 82 ARG C C 82 178.000 178.000 178.090 -0.090 18818 16496 1 29 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.831 0.369 18818 16497 1 29 . 1 1 82 82 ARG CB C 82 29.200 29.200 28.878 0.322 18818 16498 1 29 . 1 1 82 82 ARG H H 82 8.940 8.940 8.806 0.134 18818 16499 1 29 . 1 1 83 83 SER N N 83 115.700 115.700 116.361 -0.661 18818 16500 1 29 . 1 1 83 83 SER HA H 83 4.510 4.510 4.297 0.213 18818 16501 1 29 . 1 1 83 83 SER C C 83 175.800 175.800 176.063 -0.263 18818 16502 1 29 . 1 1 83 83 SER CA C 83 61.700 61.700 60.261 1.438 18818 16503 1 29 . 1 1 83 83 SER CB C 83 62.700 62.700 63.057 -0.357 18818 16504 1 29 . 1 1 83 83 SER H H 83 7.610 7.610 7.838 -0.228 18818 16505 1 29 . 1 1 84 84 PHE N N 84 122.200 122.200 124.167 -1.967 18818 16506 1 29 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.157 0.063 18818 16507 1 29 . 1 1 84 84 PHE C C 84 175.000 175.000 176.189 -1.189 18818 16508 1 29 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.366 -1.366 18818 16509 1 29 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.209 -0.009 18818 16510 1 29 . 1 1 84 84 PHE H H 84 7.490 7.490 7.542 -0.052 18818 16511 1 29 . 1 1 85 85 TRP N N 85 120.700 120.700 119.854 0.846 18818 16512 1 29 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.122 -0.362 18818 16513 1 29 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.481 -0.681 18818 16514 1 29 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.535 -0.335 18818 16515 1 29 . 1 1 85 85 TRP H H 85 8.770 8.770 7.703 1.067 18818 16516 1 29 . 1 1 86 86 GLU N N 86 119.100 119.100 117.241 1.859 18818 16517 1 29 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.822 0.258 18818 16518 1 29 . 1 1 86 86 GLU C C 86 179.100 179.100 178.820 0.280 18818 16519 1 29 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.224 0.076 18818 16520 1 29 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.091 0.409 18818 16521 1 29 . 1 1 86 86 GLU H H 86 8.150 8.150 8.367 -0.217 18818 16522 1 29 . 1 1 87 87 LEU N N 87 120.800 120.800 120.220 0.580 18818 16523 1 29 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.045 0.005 18818 16524 1 29 . 1 1 87 87 LEU C C 87 178.900 178.900 178.262 0.638 18818 16525 1 29 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.150 0.750 18818 16526 1 29 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.931 -0.631 18818 16527 1 29 . 1 1 87 87 LEU H H 87 7.600 7.600 7.344 0.256 18818 16528 1 29 . 1 1 88 88 ILE N N 88 115.200 115.200 119.692 -4.492 18818 16529 1 29 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.396 0.184 18818 16530 1 29 . 1 1 88 88 ILE C C 88 177.300 177.300 177.416 -0.116 18818 16531 1 29 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.233 -2.233 18818 16532 1 29 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.728 -1.128 18818 16533 1 29 . 1 1 88 88 ILE H H 88 7.960 7.960 7.548 0.412 18818 16534 1 29 . 1 1 89 89 GLY N N 89 108.100 108.100 107.126 0.974 18818 16535 1 29 . 1 1 89 89 GLY C C 89 175.700 175.700 175.578 0.122 18818 16536 1 29 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.193 -1.793 18818 16537 1 29 . 1 1 89 89 GLY H H 89 7.620 7.620 7.881 -0.261 18818 16538 1 29 . 1 1 90 90 GLU N N 90 120.000 120.000 121.928 -1.928 18818 16539 1 29 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.098 -0.138 18818 16540 1 29 . 1 1 90 90 GLU C C 90 179.100 179.100 178.704 0.396 18818 16541 1 29 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.507 -0.307 18818 16542 1 29 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.334 -0.534 18818 16543 1 29 . 1 1 90 90 GLU H H 90 7.410 7.410 7.240 0.170 18818 16544 1 29 . 1 1 91 91 ALA N N 91 122.400 122.400 122.679 -0.279 18818 16545 1 29 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.981 0.039 18818 16546 1 29 . 1 1 91 91 ALA C C 91 178.700 178.700 179.678 -0.978 18818 16547 1 29 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.799 -0.799 18818 16548 1 29 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.137 -0.137 18818 16549 1 29 . 1 1 91 91 ALA H H 91 7.610 7.610 8.000 -0.390 18818 16550 1 29 . 1 1 92 92 ALA N N 92 118.000 118.000 117.131 0.869 18818 16551 1 29 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.124 -0.454 18818 16552 1 29 . 1 1 92 92 ALA C C 92 177.900 177.900 177.881 0.019 18818 16553 1 29 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.280 0.620 18818 16554 1 29 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.526 -0.626 18818 16555 1 29 . 1 1 92 92 ALA H H 92 7.740 7.740 7.970 -0.230 18818 16556 1 29 . 1 1 93 93 LYS N N 93 114.600 114.600 115.872 -1.272 18818 16557 1 29 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.091 -0.321 18818 16558 1 29 . 1 1 93 93 LYS C C 93 177.000 177.000 177.199 -0.199 18818 16559 1 29 . 1 1 93 93 LYS CA C 93 57.500 57.500 56.212 1.288 18818 16560 1 29 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.561 -0.761 18818 16561 1 29 . 1 1 93 93 LYS H H 93 7.200 7.200 7.775 -0.575 18818 16562 1 29 . 1 1 94 94 SER N N 94 113.000 113.000 113.917 -0.917 18818 16563 1 29 . 1 1 94 94 SER HA H 94 4.450 4.450 4.378 0.072 18818 16564 1 29 . 1 1 94 94 SER C C 94 174.500 174.500 174.503 -0.003 18818 16565 1 29 . 1 1 94 94 SER CA C 94 58.800 58.800 59.326 -0.526 18818 16566 1 29 . 1 1 94 94 SER CB C 94 63.900 63.900 64.561 -0.661 18818 16567 1 29 . 1 1 94 94 SER H H 94 7.530 7.530 7.804 -0.274 18818 16568 1 29 . 1 1 95 95 VAL N N 95 122.100 122.100 120.339 1.761 18818 16569 1 29 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.152 -0.212 18818 16570 1 29 . 1 1 95 95 VAL C C 95 175.400 175.400 173.559 1.841 18818 16571 1 29 . 1 1 95 95 VAL CA C 95 63.200 63.200 62.186 1.014 18818 16572 1 29 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.139 -1.639 18818 16573 1 29 . 1 1 95 95 VAL H H 95 7.440 7.440 7.296 0.144 18818 16574 1 29 . 1 1 96 96 LYS N N 96 126.300 126.300 125.775 0.525 18818 16575 1 29 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.578 -0.178 18818 16576 1 29 . 1 1 96 96 LYS C C 96 176.000 176.000 175.188 0.812 18818 16577 1 29 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.962 0.538 18818 16578 1 29 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.901 -2.401 18818 16579 1 29 . 1 1 96 96 LYS H H 96 8.470 8.470 8.208 0.262 18818 16580 1 29 . 1 1 97 97 LEU N N 97 123.400 123.400 123.493 -0.093 18818 16581 1 29 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.299 0.111 18818 16582 1 29 . 1 1 97 97 LEU C C 97 176.700 176.700 178.078 -1.378 18818 16583 1 29 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.300 -0.899 18818 16584 1 29 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.006 0.294 18818 16585 1 29 . 1 1 97 97 LEU H H 97 8.140 8.140 8.394 -0.254 18818 16586 1 29 . 1 1 98 98 GLU N N 98 121.400 121.400 126.453 -5.053 18818 16587 1 29 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.279 0.061 18818 16588 1 29 . 1 1 98 98 GLU C C 98 175.900 175.900 175.696 0.204 18818 16589 1 29 . 1 1 98 98 GLU CA C 98 56.200 56.200 55.969 0.231 18818 16590 1 29 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.148 0.952 18818 16591 1 29 . 1 1 98 98 GLU H H 98 8.320 8.320 8.708 -0.388 18818 16592 1 29 . 1 1 99 99 ARG N N 99 122.800 122.800 121.870 0.930 18818 16593 1 29 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.542 0.268 18818 16594 1 29 . 1 1 99 99 ARG C C 99 173.900 173.900 174.732 -0.832 18818 16595 1 29 . 1 1 99 99 ARG CA C 99 53.600 53.600 53.140 0.460 18818 16596 1 29 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.296 0.605 18818 16597 1 29 . 1 1 99 99 ARG H H 99 8.280 8.280 7.825 0.455 18818 16598 1 29 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.587 -0.067 18818 16599 1 29 . 1 1 100 100 PRO C C 100 176.700 176.700 175.945 0.755 18818 16600 1 29 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.252 -0.452 18818 16601 1 29 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.912 -0.212 18818 16602 1 29 . 1 1 101 101 VAL N N 101 120.500 120.500 122.542 -2.042 18818 16603 1 29 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.113 0.017 18818 16604 1 29 . 1 1 101 101 VAL C C 101 176.000 176.000 176.775 -0.775 18818 16605 1 29 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.930 -0.830 18818 16606 1 29 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.761 -0.562 18818 16607 1 29 . 1 1 101 101 VAL H H 101 8.230 8.230 8.480 -0.250 18818 16608 1 29 . 1 1 102 102 ARG N N 102 124.600 124.600 119.488 5.112 18818 16609 1 29 . 1 1 102 102 ARG HA H 102 4.420 4.420 3.840 0.580 18818 16610 1 29 . 1 1 102 102 ARG C C 102 176.400 176.400 176.104 0.296 18818 16611 1 29 . 1 1 102 102 ARG CA C 102 55.900 55.900 57.270 -1.371 18818 16612 1 29 . 1 1 102 102 ARG CB C 102 30.700 30.700 28.251 2.449 18818 16613 1 29 . 1 1 102 102 ARG H H 102 8.390 8.390 8.668 -0.278 18818 16614 1 29 . 1 1 103 103 GLY N N 103 110.400 110.400 108.080 2.320 18818 16615 1 29 . 1 1 103 103 GLY C C 103 172.900 172.900 173.769 -0.869 18818 16616 1 29 . 1 1 103 103 GLY CA C 103 45.000 45.000 45.047 -0.047 18818 16617 1 29 . 1 1 103 103 GLY H H 103 8.400 8.400 7.698 0.702 18818 16618 1 30 . 1 1 5 5 ARG N N 5 124.100 124.100 124.392 -0.292 18818 16619 1 30 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.445 -0.395 18818 16620 1 30 . 1 1 5 5 ARG C C 5 173.800 173.800 176.296 -2.496 18818 16621 1 30 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.160 -0.160 18818 16622 1 30 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.961 -0.261 18818 16623 1 30 . 1 1 5 5 ARG H H 5 8.570 8.570 8.827 -0.257 18818 16624 1 30 . 1 1 6 6 SER N N 6 117.500 117.500 119.017 -1.517 18818 16625 1 30 . 1 1 6 6 SER HA H 6 4.510 4.510 4.427 0.083 18818 16626 1 30 . 1 1 6 6 SER C C 6 174.100 174.100 175.553 -1.453 18818 16627 1 30 . 1 1 6 6 SER CA C 6 58.000 58.000 59.186 -1.186 18818 16628 1 30 . 1 1 6 6 SER CB C 6 63.700 63.700 63.370 0.330 18818 16629 1 30 . 1 1 6 6 SER H H 6 8.370 8.370 8.676 -0.306 18818 16630 1 30 . 1 1 7 7 ALA N N 7 125.900 125.900 124.331 1.569 18818 16631 1 30 . 1 1 7 7 ALA HA H 7 4.400 4.400 3.964 0.436 18818 16632 1 30 . 1 1 7 7 ALA C C 7 177.200 177.200 178.917 -1.717 18818 16633 1 30 . 1 1 7 7 ALA CA C 7 52.600 52.600 54.123 -1.523 18818 16634 1 30 . 1 1 7 7 ALA CB C 7 19.000 19.000 16.719 2.281 18818 16635 1 30 . 1 1 7 7 ALA H H 7 8.410 8.410 8.638 -0.228 18818 16636 1 30 . 1 1 8 8 ASN N N 8 117.400 117.400 117.802 -0.402 18818 16637 1 30 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.381 0.389 18818 16638 1 30 . 1 1 8 8 ASN C C 8 174.900 174.900 176.437 -1.537 18818 16639 1 30 . 1 1 8 8 ASN CA C 8 52.900 52.900 55.754 -2.854 18818 16640 1 30 . 1 1 8 8 ASN CB C 8 38.800 38.800 38.748 0.052 18818 16641 1 30 . 1 1 8 8 ASN H H 8 8.360 8.360 8.433 -0.073 18818 16642 1 30 . 1 1 9 9 ALA N N 9 124.400 124.400 119.118 5.282 18818 16643 1 30 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.411 -0.061 18818 16644 1 30 . 1 1 9 9 ALA C C 9 177.800 177.800 179.849 -2.049 18818 16645 1 30 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.845 -1.145 18818 16646 1 30 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.448 0.452 18818 16647 1 30 . 1 1 9 9 ALA H H 9 8.270 8.270 8.207 0.063 18818 16648 1 30 . 1 1 10 10 GLU N N 10 119.300 119.300 120.132 -0.832 18818 16649 1 30 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.195 0.115 18818 16650 1 30 . 1 1 10 10 GLU C C 10 176.400 176.400 176.653 -0.253 18818 16651 1 30 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.516 -1.616 18818 16652 1 30 . 1 1 10 10 GLU CB C 10 29.600 29.600 30.162 -0.562 18818 16653 1 30 . 1 1 10 10 GLU H H 10 8.470 8.470 7.687 0.783 18818 16654 1 30 . 1 1 11 11 ASP N N 11 120.600 120.600 119.048 1.552 18818 16655 1 30 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.650 -0.040 18818 16656 1 30 . 1 1 11 11 ASP C C 11 176.100 176.100 174.769 1.331 18818 16657 1 30 . 1 1 11 11 ASP CA C 11 54.300 54.300 52.843 1.457 18818 16658 1 30 . 1 1 11 11 ASP CB C 11 40.800 40.800 40.822 -0.022 18818 16659 1 30 . 1 1 11 11 ASP H H 11 8.200 8.200 7.870 0.330 18818 16660 1 30 . 1 1 12 12 ALA N N 12 123.800 123.800 121.453 2.347 18818 16661 1 30 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.844 0.246 18818 16662 1 30 . 1 1 12 12 ALA C C 12 177.800 177.800 176.415 1.385 18818 16663 1 30 . 1 1 12 12 ALA CA C 12 52.500 52.500 52.961 -0.461 18818 16664 1 30 . 1 1 12 12 ALA CB C 12 18.800 18.800 18.771 0.028 18818 16665 1 30 . 1 1 12 12 ALA H H 12 8.070 8.070 6.967 1.103 18818 16666 1 30 . 1 1 13 13 GLN N N 13 118.500 118.500 123.375 -4.875 18818 16667 1 30 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.167 0.103 18818 16668 1 30 . 1 1 13 13 GLN C C 13 175.700 175.700 176.551 -0.851 18818 16669 1 30 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.773 -0.873 18818 16670 1 30 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.810 -0.710 18818 16671 1 30 . 1 1 13 13 GLN H H 13 8.230 8.230 8.435 -0.205 18818 16672 1 30 . 1 1 14 14 GLU N N 14 120.600 120.600 120.826 -0.226 18818 16673 1 30 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.204 0.096 18818 16674 1 30 . 1 1 14 14 GLU C C 14 175.800 175.800 176.783 -0.983 18818 16675 1 30 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.328 -1.528 18818 16676 1 30 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.260 0.640 18818 16677 1 30 . 1 1 14 14 GLU H H 14 8.100 8.100 8.678 -0.578 18818 16678 1 30 . 1 1 15 15 PHE N N 15 121.100 121.100 118.971 2.129 18818 16679 1 30 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.608 0.272 18818 16680 1 30 . 1 1 15 15 PHE C C 15 176.900 176.900 177.040 -0.140 18818 16681 1 30 . 1 1 15 15 PHE CA C 15 55.300 55.300 56.165 -0.865 18818 16682 1 30 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.121 0.179 18818 16683 1 30 . 1 1 15 15 PHE H H 15 8.030 8.030 7.534 0.496 18818 16684 1 30 . 1 1 16 16 SER N N 16 119.400 119.400 116.090 3.310 18818 16685 1 30 . 1 1 16 16 SER HA H 16 4.850 4.850 4.369 0.481 18818 16686 1 30 . 1 1 16 16 SER C C 16 174.800 174.800 175.667 -0.867 18818 16687 1 30 . 1 1 16 16 SER CA C 16 57.000 57.000 58.591 -1.591 18818 16688 1 30 . 1 1 16 16 SER CB C 16 65.600 65.600 64.738 0.862 18818 16689 1 30 . 1 1 16 16 SER H H 16 9.530 9.530 8.984 0.546 18818 16690 1 30 . 1 1 17 17 ASP N N 17 121.300 121.300 125.057 -3.757 18818 16691 1 30 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.445 0.105 18818 16692 1 30 . 1 1 17 17 ASP C C 17 179.700 179.700 177.782 1.918 18818 16693 1 30 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.581 0.419 18818 16694 1 30 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.599 -1.099 18818 16695 1 30 . 1 1 17 17 ASP H H 17 9.270 9.270 8.999 0.271 18818 16696 1 30 . 1 1 18 18 VAL N N 18 120.600 120.600 119.183 1.417 18818 16697 1 30 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.969 -0.289 18818 16698 1 30 . 1 1 18 18 VAL C C 18 176.900 176.900 177.184 -0.284 18818 16699 1 30 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.843 1.657 18818 16700 1 30 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.066 -0.165 18818 16701 1 30 . 1 1 18 18 VAL H H 18 8.230 8.230 7.965 0.265 18818 16702 1 30 . 1 1 19 19 GLU N N 19 121.000 121.000 120.131 0.869 18818 16703 1 30 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.162 -0.422 18818 16704 1 30 . 1 1 19 19 GLU C C 19 178.600 178.600 178.849 -0.249 18818 16705 1 30 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.482 0.518 18818 16706 1 30 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.681 -0.981 18818 16707 1 30 . 1 1 19 19 GLU H H 19 8.180 8.180 7.912 0.268 18818 16708 1 30 . 1 1 20 20 ARG N N 20 118.100 118.100 117.416 0.684 18818 16709 1 30 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.300 -0.000 18818 16710 1 30 . 1 1 20 20 ARG C C 20 178.700 178.700 178.079 0.621 18818 16711 1 30 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.864 0.236 18818 16712 1 30 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.843 -0.143 18818 16713 1 30 . 1 1 20 20 ARG H H 20 8.920 8.920 8.915 0.005 18818 16714 1 30 . 1 1 21 21 ALA N N 21 123.800 123.800 123.801 -0.001 18818 16715 1 30 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.168 0.252 18818 16716 1 30 . 1 1 21 21 ALA C C 21 179.300 179.300 179.549 -0.249 18818 16717 1 30 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.962 0.238 18818 16718 1 30 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.136 -0.236 18818 16719 1 30 . 1 1 21 21 ALA H H 21 8.060 8.060 7.739 0.321 18818 16720 1 30 . 1 1 22 22 ILE N N 22 118.200 118.200 119.063 -0.863 18818 16721 1 30 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.743 -0.023 18818 16722 1 30 . 1 1 22 22 ILE C C 22 177.500 177.500 177.960 -0.460 18818 16723 1 30 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.675 0.325 18818 16724 1 30 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.738 -0.338 18818 16725 1 30 . 1 1 22 22 ILE H H 22 8.010 8.010 7.684 0.326 18818 16726 1 30 . 1 1 23 23 GLU N N 23 120.100 120.100 119.980 0.120 18818 16727 1 30 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.075 -0.115 18818 16728 1 30 . 1 1 23 23 GLU C C 23 178.000 178.000 179.244 -1.244 18818 16729 1 30 . 1 1 23 23 GLU CA C 23 60.300 60.300 60.028 0.272 18818 16730 1 30 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.404 0.096 18818 16731 1 30 . 1 1 23 23 GLU H H 23 8.450 8.450 7.821 0.629 18818 16732 1 30 . 1 1 24 24 THR N N 24 117.300 117.300 115.326 1.974 18818 16733 1 30 . 1 1 24 24 THR HA H 24 4.010 4.010 4.124 -0.114 18818 16734 1 30 . 1 1 24 24 THR C C 24 177.000 177.000 176.552 0.448 18818 16735 1 30 . 1 1 24 24 THR CA C 24 67.100 67.100 66.430 0.670 18818 16736 1 30 . 1 1 24 24 THR CB C 24 68.200 68.200 68.911 -0.711 18818 16737 1 30 . 1 1 24 24 THR H H 24 8.720 8.720 8.138 0.582 18818 16738 1 30 . 1 1 25 25 LEU N N 25 123.400 123.400 118.871 4.529 18818 16739 1 30 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.589 -0.309 18818 16740 1 30 . 1 1 25 25 LEU C C 25 178.200 178.200 179.136 -0.936 18818 16741 1 30 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.619 1.681 18818 16742 1 30 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.985 -0.285 18818 16743 1 30 . 1 1 25 25 LEU H H 25 8.150 8.150 7.779 0.371 18818 16744 1 30 . 1 1 26 26 ILE N N 26 119.500 119.500 121.941 -2.441 18818 16745 1 30 . 1 1 26 26 ILE HA H 26 4.000 4.000 4.009 -0.009 18818 16746 1 30 . 1 1 26 26 ILE C C 26 177.900 177.900 177.554 0.346 18818 16747 1 30 . 1 1 26 26 ILE CA C 26 64.100 64.100 63.896 0.204 18818 16748 1 30 . 1 1 26 26 ILE CB C 26 37.300 37.300 38.024 -0.724 18818 16749 1 30 . 1 1 26 26 ILE H H 26 8.510 8.510 8.647 -0.137 18818 16750 1 30 . 1 1 27 27 LYS N N 27 120.500 120.500 119.442 1.058 18818 16751 1 30 . 1 1 27 27 LYS HA H 27 4.150 4.150 3.672 0.478 18818 16752 1 30 . 1 1 27 27 LYS C C 27 179.600 179.600 178.239 1.361 18818 16753 1 30 . 1 1 27 27 LYS CA C 27 60.100 60.100 58.657 1.443 18818 16754 1 30 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.317 0.683 18818 16755 1 30 . 1 1 27 27 LYS H H 27 9.000 9.000 8.319 0.681 18818 16756 1 30 . 1 1 28 28 ASN N N 28 117.300 117.300 117.631 -0.331 18818 16757 1 30 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.721 -0.161 18818 16758 1 30 . 1 1 28 28 ASN C C 28 176.000 176.000 177.038 -1.038 18818 16759 1 30 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.858 1.842 18818 16760 1 30 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.747 1.553 18818 16761 1 30 . 1 1 28 28 ASN H H 28 7.990 7.990 7.707 0.283 18818 16762 1 30 . 1 1 29 29 PHE N N 29 119.100 119.100 121.197 -2.097 18818 16763 1 30 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.677 0.233 18818 16764 1 30 . 1 1 29 29 PHE C C 29 176.200 176.200 176.681 -0.481 18818 16765 1 30 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.193 0.007 18818 16766 1 30 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.898 -0.298 18818 16767 1 30 . 1 1 29 29 PHE H H 29 7.990 7.990 8.161 -0.171 18818 16768 1 30 . 1 1 30 30 HIS N N 30 114.700 114.700 116.332 -1.632 18818 16769 1 30 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.488 -0.168 18818 16770 1 30 . 1 1 30 30 HIS C C 30 177.400 177.400 177.036 0.364 18818 16771 1 30 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.486 0.014 18818 16772 1 30 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.813 -0.213 18818 16773 1 30 . 1 1 30 30 HIS H H 30 8.180 8.180 7.806 0.374 18818 16774 1 30 . 1 1 31 31 GLN N N 31 118.500 118.500 116.329 2.171 18818 16775 1 30 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.173 -0.093 18818 16776 1 30 . 1 1 31 31 GLN C C 31 176.600 176.600 176.572 0.028 18818 16777 1 30 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.543 0.257 18818 16778 1 30 . 1 1 31 31 GLN CB C 31 28.400 28.400 29.112 -0.712 18818 16779 1 30 . 1 1 31 31 GLN H H 31 8.280 8.280 8.534 -0.254 18818 16780 1 30 . 1 1 32 32 TYR N N 32 115.700 115.700 117.654 -1.954 18818 16781 1 30 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.530 -0.320 18818 16782 1 30 . 1 1 32 32 TYR C C 32 174.800 174.800 177.079 -2.279 18818 16783 1 30 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.934 0.766 18818 16784 1 30 . 1 1 32 32 TYR CB C 32 38.700 38.700 40.512 -1.812 18818 16785 1 30 . 1 1 32 32 TYR H H 32 7.410 7.410 7.785 -0.375 18818 16786 1 30 . 1 1 33 33 SER N N 33 114.000 114.000 116.900 -2.900 18818 16787 1 30 . 1 1 33 33 SER HA H 33 4.530 4.530 4.442 0.088 18818 16788 1 30 . 1 1 33 33 SER C C 33 175.000 175.000 174.483 0.517 18818 16789 1 30 . 1 1 33 33 SER CA C 33 57.200 57.200 59.079 -1.879 18818 16790 1 30 . 1 1 33 33 SER CB C 33 63.200 63.200 61.659 1.541 18818 16791 1 30 . 1 1 33 33 SER H H 33 7.260 7.260 8.174 -0.914 18818 16792 1 30 . 1 1 34 34 VAL N N 34 126.600 126.600 122.619 3.981 18818 16793 1 30 . 1 1 34 34 VAL HA H 34 4.010 4.010 3.971 0.039 18818 16794 1 30 . 1 1 34 34 VAL C C 34 177.800 177.800 176.534 1.266 18818 16795 1 30 . 1 1 34 34 VAL CA C 34 64.400 64.400 62.764 1.636 18818 16796 1 30 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.868 0.232 18818 16797 1 30 . 1 1 34 34 VAL H H 34 8.490 8.490 7.917 0.573 18818 16798 1 30 . 1 1 35 35 GLU N N 35 122.100 122.100 120.309 1.791 18818 16799 1 30 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.165 0.085 18818 16800 1 30 . 1 1 35 35 GLU C C 35 177.800 177.800 177.324 0.476 18818 16801 1 30 . 1 1 35 35 GLU CA C 35 57.500 57.500 58.401 -0.901 18818 16802 1 30 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.050 -0.250 18818 16803 1 30 . 1 1 35 35 GLU H H 35 8.980 8.980 9.199 -0.219 18818 16804 1 30 . 1 1 36 36 GLY N N 36 108.500 108.500 104.902 3.598 18818 16805 1 30 . 1 1 36 36 GLY C C 36 175.000 175.000 174.851 0.149 18818 16806 1 30 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.905 0.395 18818 16807 1 30 . 1 1 36 36 GLY H H 36 8.490 8.490 7.626 0.864 18818 16808 1 30 . 1 1 37 37 GLY N N 37 108.700 108.700 109.383 -0.683 18818 16809 1 30 . 1 1 37 37 GLY C C 37 174.100 174.100 175.659 -1.559 18818 16810 1 30 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.508 0.292 18818 16811 1 30 . 1 1 37 37 GLY H H 37 8.140 8.140 7.884 0.256 18818 16812 1 30 . 1 1 38 38 LYS N N 38 118.000 118.000 119.125 -1.125 18818 16813 1 30 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.761 0.709 18818 16814 1 30 . 1 1 38 38 LYS C C 38 176.000 176.000 178.572 -2.572 18818 16815 1 30 . 1 1 38 38 LYS CA C 38 56.100 56.100 59.516 -3.416 18818 16816 1 30 . 1 1 38 38 LYS CB C 38 32.700 32.700 30.727 1.973 18818 16817 1 30 . 1 1 38 38 LYS H H 38 8.050 8.050 8.516 -0.466 18818 16818 1 30 . 1 1 39 39 GLU N N 39 118.100 118.100 119.478 -1.378 18818 16819 1 30 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.297 0.263 18818 16820 1 30 . 1 1 39 39 GLU C C 39 175.600 175.600 176.739 -1.139 18818 16821 1 30 . 1 1 39 39 GLU CA C 39 56.800 56.800 57.467 -0.667 18818 16822 1 30 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.459 -0.259 18818 16823 1 30 . 1 1 39 39 GLU H H 39 8.630 8.630 8.331 0.299 18818 16824 1 30 . 1 1 40 40 THR N N 40 108.100 108.100 108.309 -0.209 18818 16825 1 30 . 1 1 40 40 THR HA H 40 5.160 5.160 4.848 0.312 18818 16826 1 30 . 1 1 40 40 THR C C 40 173.400 173.400 172.997 0.403 18818 16827 1 30 . 1 1 40 40 THR CA C 40 59.300 59.300 59.610 -0.310 18818 16828 1 30 . 1 1 40 40 THR CB C 40 72.100 72.100 71.580 0.520 18818 16829 1 30 . 1 1 40 40 THR H H 40 7.490 7.490 7.749 -0.259 18818 16830 1 30 . 1 1 41 41 LEU N N 41 120.700 120.700 121.519 -0.819 18818 16831 1 30 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.583 0.457 18818 16832 1 30 . 1 1 41 41 LEU C C 41 177.000 177.000 175.068 1.932 18818 16833 1 30 . 1 1 41 41 LEU CA C 41 53.300 53.300 54.230 -0.930 18818 16834 1 30 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.943 -0.643 18818 16835 1 30 . 1 1 41 41 LEU H H 41 8.660 8.660 8.451 0.209 18818 16836 1 30 . 1 1 42 42 THR N N 42 113.500 113.500 116.894 -3.394 18818 16837 1 30 . 1 1 42 42 THR HA H 42 5.000 5.000 4.915 0.085 18818 16838 1 30 . 1 1 42 42 THR C C 42 174.100 174.100 174.043 0.057 18818 16839 1 30 . 1 1 42 42 THR CA C 42 59.800 59.800 59.550 0.250 18818 16840 1 30 . 1 1 42 42 THR CB C 42 68.100 68.100 69.149 -1.049 18818 16841 1 30 . 1 1 42 42 THR H H 42 9.130 9.130 9.327 -0.197 18818 16842 1 30 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.249 -0.099 18818 16843 1 30 . 1 1 43 43 PRO C C 43 178.600 178.600 178.948 -0.348 18818 16844 1 30 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.725 0.474 18818 16845 1 30 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.645 0.055 18818 16846 1 30 . 1 1 44 44 SER N N 44 111.600 111.600 113.635 -2.035 18818 16847 1 30 . 1 1 44 44 SER HA H 44 4.170 4.170 4.209 -0.039 18818 16848 1 30 . 1 1 44 44 SER C C 44 176.200 176.200 176.460 -0.260 18818 16849 1 30 . 1 1 44 44 SER CA C 44 61.500 61.500 61.390 0.110 18818 16850 1 30 . 1 1 44 44 SER CB C 44 62.200 62.200 62.953 -0.752 18818 16851 1 30 . 1 1 44 44 SER H H 44 8.090 8.090 8.359 -0.269 18818 16852 1 30 . 1 1 45 45 GLU N N 45 123.900 123.900 121.043 2.857 18818 16853 1 30 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.281 -0.021 18818 16854 1 30 . 1 1 45 45 GLU C C 45 179.000 179.000 178.433 0.567 18818 16855 1 30 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.315 0.785 18818 16856 1 30 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.724 -0.024 18818 16857 1 30 . 1 1 45 45 GLU H H 45 7.700 7.700 7.744 -0.044 18818 16858 1 30 . 1 1 46 46 LEU N N 46 118.900 118.900 122.744 -3.844 18818 16859 1 30 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.979 0.101 18818 16860 1 30 . 1 1 46 46 LEU C C 46 177.600 177.600 178.625 -1.025 18818 16861 1 30 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.243 -0.943 18818 16862 1 30 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.625 -0.725 18818 16863 1 30 . 1 1 46 46 LEU H H 46 8.400 8.400 8.208 0.192 18818 16864 1 30 . 1 1 47 47 ARG N N 47 119.300 119.300 115.879 3.421 18818 16865 1 30 . 1 1 47 47 ARG HA H 47 3.770 3.770 4.033 -0.263 18818 16866 1 30 . 1 1 47 47 ARG C C 47 178.900 178.900 178.068 0.832 18818 16867 1 30 . 1 1 47 47 ARG CA C 47 60.000 60.000 58.845 1.155 18818 16868 1 30 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.389 -0.389 18818 16869 1 30 . 1 1 47 47 ARG H H 47 8.260 8.260 7.485 0.775 18818 16870 1 30 . 1 1 48 48 ASP N N 48 122.300 122.300 121.312 0.988 18818 16871 1 30 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.439 -0.009 18818 16872 1 30 . 1 1 48 48 ASP C C 48 176.700 176.700 178.380 -1.680 18818 16873 1 30 . 1 1 48 48 ASP CA C 48 57.500 57.500 58.073 -0.573 18818 16874 1 30 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.193 -1.793 18818 16875 1 30 . 1 1 48 48 ASP H H 48 8.160 8.160 7.523 0.637 18818 16876 1 30 . 1 1 49 49 LEU N N 49 122.600 122.600 117.233 5.367 18818 16877 1 30 . 1 1 49 49 LEU HA H 49 3.170 3.170 4.004 -0.834 18818 16878 1 30 . 1 1 49 49 LEU C C 49 179.100 179.100 178.320 0.780 18818 16879 1 30 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.513 1.487 18818 16880 1 30 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.026 0.274 18818 16881 1 30 . 1 1 49 49 LEU H H 49 7.980 7.980 7.805 0.175 18818 16882 1 30 . 1 1 50 50 VAL N N 50 118.200 118.200 120.871 -2.671 18818 16883 1 30 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.596 -0.046 18818 16884 1 30 . 1 1 50 50 VAL C C 50 178.800 178.800 178.160 0.640 18818 16885 1 30 . 1 1 50 50 VAL CA C 50 66.400 66.400 66.493 -0.093 18818 16886 1 30 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.495 0.005 18818 16887 1 30 . 1 1 50 50 VAL H H 50 8.390 8.390 7.408 0.982 18818 16888 1 30 . 1 1 51 51 THR N N 51 115.000 115.000 113.960 1.040 18818 16889 1 30 . 1 1 51 51 THR HA H 51 3.990 3.990 4.156 -0.166 18818 16890 1 30 . 1 1 51 51 THR C C 51 176.000 176.000 176.185 -0.185 18818 16891 1 30 . 1 1 51 51 THR CA C 51 65.800 65.800 65.001 0.799 18818 16892 1 30 . 1 1 51 51 THR CB C 51 68.900 68.900 68.884 0.016 18818 16893 1 30 . 1 1 51 51 THR H H 51 8.480 8.480 8.010 0.470 18818 16894 1 30 . 1 1 52 52 GLN N N 52 116.400 116.400 118.577 -2.177 18818 16895 1 30 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.396 -0.146 18818 16896 1 30 . 1 1 52 52 GLN C C 52 178.300 178.300 177.283 1.017 18818 16897 1 30 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.547 0.252 18818 16898 1 30 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.500 -1.000 18818 16899 1 30 . 1 1 52 52 GLN H H 52 8.180 8.180 8.115 0.065 18818 16900 1 30 . 1 1 53 53 GLN N N 53 112.100 112.100 115.501 -3.401 18818 16901 1 30 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.576 0.274 18818 16902 1 30 . 1 1 53 53 GLN C C 53 176.900 176.900 176.240 0.660 18818 16903 1 30 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.072 -1.072 18818 16904 1 30 . 1 1 53 53 GLN CB C 53 28.400 28.400 31.259 -2.859 18818 16905 1 30 . 1 1 53 53 GLN H H 53 8.490 8.490 7.965 0.525 18818 16906 1 30 . 1 1 54 54 LEU N N 54 119.800 119.800 120.651 -0.851 18818 16907 1 30 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.911 0.339 18818 16908 1 30 . 1 1 54 54 LEU C C 54 176.900 176.900 174.921 1.979 18818 16909 1 30 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.498 1.402 18818 16910 1 30 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.880 0.220 18818 16911 1 30 . 1 1 54 54 LEU H H 54 7.920 7.920 7.500 0.420 18818 16912 1 30 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.300 0.170 18818 16913 1 30 . 1 1 55 55 PRO C C 55 178.300 178.300 177.171 1.129 18818 16914 1 30 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.512 0.788 18818 16915 1 30 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.747 -1.046 18818 16916 1 30 . 1 1 56 56 HIS N N 56 116.500 116.500 115.990 0.510 18818 16917 1 30 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.565 0.025 18818 16918 1 30 . 1 1 56 56 HIS C C 56 176.300 176.300 176.406 -0.106 18818 16919 1 30 . 1 1 56 56 HIS CA C 56 57.800 57.800 58.289 -0.489 18818 16920 1 30 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.500 -1.200 18818 16921 1 30 . 1 1 56 56 HIS H H 56 9.770 9.770 8.338 1.432 18818 16922 1 30 . 1 1 57 57 LEU N N 57 116.600 116.600 119.132 -2.532 18818 16923 1 30 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.409 -0.079 18818 16924 1 30 . 1 1 57 57 LEU C C 57 176.400 176.400 175.645 0.755 18818 16925 1 30 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.384 0.016 18818 16926 1 30 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.824 -0.324 18818 16927 1 30 . 1 1 57 57 LEU H H 57 7.830 7.830 8.026 -0.196 18818 16928 1 30 . 1 1 58 58 MET N N 58 118.000 118.000 117.431 0.569 18818 16929 1 30 . 1 1 58 58 MET HA H 58 4.540 4.540 4.871 -0.331 18818 16930 1 30 . 1 1 58 58 MET C C 58 171.600 171.600 173.440 -1.840 18818 16931 1 30 . 1 1 58 58 MET CA C 58 53.500 53.500 51.734 1.766 18818 16932 1 30 . 1 1 58 58 MET CB C 58 32.700 32.700 33.837 -1.137 18818 16933 1 30 . 1 1 58 58 MET H H 58 7.970 7.970 7.761 0.209 18818 16934 1 30 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.593 -0.143 18818 16935 1 30 . 1 1 59 59 PRO C C 59 177.400 177.400 178.037 -0.637 18818 16936 1 30 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.160 0.940 18818 16937 1 30 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.861 -0.961 18818 16938 1 30 . 1 1 60 60 SER N N 60 114.900 114.900 117.848 -2.948 18818 16939 1 30 . 1 1 60 60 SER HA H 60 4.340 4.340 4.074 0.266 18818 16940 1 30 . 1 1 60 60 SER C C 60 174.700 174.700 176.467 -1.767 18818 16941 1 30 . 1 1 60 60 SER CA C 60 59.100 59.100 61.260 -2.160 18818 16942 1 30 . 1 1 60 60 SER CB C 60 63.200 63.200 63.056 0.144 18818 16943 1 30 . 1 1 60 60 SER H H 60 8.360 8.360 8.947 -0.587 18818 16944 1 30 . 1 1 61 61 ASN N N 61 120.800 120.800 120.039 0.761 18818 16945 1 30 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.538 0.272 18818 16946 1 30 . 1 1 61 61 ASN C C 61 175.500 175.500 176.374 -0.874 18818 16947 1 30 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.673 -2.673 18818 16948 1 30 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.107 -0.207 18818 16949 1 30 . 1 1 61 61 ASN H H 61 7.990 7.990 8.369 -0.379 18818 16950 1 30 . 1 1 62 62 CYS N N 62 117.800 117.800 116.608 1.192 18818 16951 1 30 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.405 0.185 18818 16952 1 30 . 1 1 62 62 CYS C C 62 175.300 175.300 175.202 0.098 18818 16953 1 30 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.184 -0.984 18818 16954 1 30 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.354 -0.954 18818 16955 1 30 . 1 1 62 62 CYS H H 62 8.260 8.260 7.633 0.627 18818 16956 1 30 . 1 1 63 63 GLY N N 63 111.300 111.300 109.732 1.568 18818 16957 1 30 . 1 1 63 63 GLY C C 63 175.600 175.600 174.183 1.417 18818 16958 1 30 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.086 1.214 18818 16959 1 30 . 1 1 63 63 GLY H H 63 8.520 8.520 7.681 0.839 18818 16960 1 30 . 1 1 64 64 LEU N N 64 122.400 122.400 120.602 1.798 18818 16961 1 30 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.537 -0.487 18818 16962 1 30 . 1 1 64 64 LEU C C 64 177.900 177.900 178.006 -0.106 18818 16963 1 30 . 1 1 64 64 LEU CA C 64 57.600 57.600 55.249 2.351 18818 16964 1 30 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.837 0.163 18818 16965 1 30 . 1 1 64 64 LEU H H 64 7.910 7.910 8.086 -0.176 18818 16966 1 30 . 1 1 65 65 GLU N N 65 117.900 117.900 119.798 -1.898 18818 16967 1 30 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.895 0.015 18818 16968 1 30 . 1 1 65 65 GLU C C 65 179.100 179.100 177.658 1.442 18818 16969 1 30 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.508 1.492 18818 16970 1 30 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.306 0.094 18818 16971 1 30 . 1 1 65 65 GLU H H 65 8.660 8.660 8.562 0.098 18818 16972 1 30 . 1 1 66 66 GLU N N 66 120.000 120.000 119.707 0.293 18818 16973 1 30 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.072 0.048 18818 16974 1 30 . 1 1 66 66 GLU C C 66 178.200 178.200 178.372 -0.172 18818 16975 1 30 . 1 1 66 66 GLU CA C 66 59.100 59.100 58.703 0.397 18818 16976 1 30 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.191 -0.090 18818 16977 1 30 . 1 1 66 66 GLU H H 66 8.220 8.220 8.726 -0.506 18818 16978 1 30 . 1 1 67 67 LYS N N 67 119.300 119.300 118.380 0.920 18818 16979 1 30 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.068 0.072 18818 16980 1 30 . 1 1 67 67 LYS C C 67 179.400 179.400 178.644 0.756 18818 16981 1 30 . 1 1 67 67 LYS CA C 67 58.900 58.900 58.564 0.336 18818 16982 1 30 . 1 1 67 67 LYS CB C 67 32.100 32.100 32.075 0.025 18818 16983 1 30 . 1 1 67 67 LYS H H 67 7.780 7.780 7.642 0.138 18818 16984 1 30 . 1 1 68 68 ILE N N 68 118.400 118.400 118.357 0.043 18818 16985 1 30 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.850 -0.130 18818 16986 1 30 . 1 1 68 68 ILE C C 68 177.800 177.800 177.824 -0.024 18818 16987 1 30 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.197 0.303 18818 16988 1 30 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.416 -0.117 18818 16989 1 30 . 1 1 68 68 ILE H H 68 8.230 8.230 7.328 0.902 18818 16990 1 30 . 1 1 69 69 ALA N N 69 122.900 122.900 121.839 1.061 18818 16991 1 30 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.064 0.156 18818 16992 1 30 . 1 1 69 69 ALA C C 69 179.600 179.600 178.539 1.061 18818 16993 1 30 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.669 -0.269 18818 16994 1 30 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.150 -0.250 18818 16995 1 30 . 1 1 69 69 ALA H H 69 8.070 8.070 7.956 0.114 18818 16996 1 30 . 1 1 70 70 ASN N N 70 115.400 115.400 116.388 -0.988 18818 16997 1 30 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.576 0.294 18818 16998 1 30 . 1 1 70 70 ASN C C 70 176.500 176.500 177.719 -1.219 18818 16999 1 30 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.358 -1.058 18818 17000 1 30 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.111 -0.410 18818 17001 1 30 . 1 1 70 70 ASN H H 70 7.880 7.880 7.678 0.202 18818 17002 1 30 . 1 1 71 71 LEU N N 71 120.600 120.600 116.046 4.554 18818 17003 1 30 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.277 0.053 18818 17004 1 30 . 1 1 71 71 LEU C C 71 178.300 178.300 177.484 0.816 18818 17005 1 30 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.318 0.982 18818 17006 1 30 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.855 0.445 18818 17007 1 30 . 1 1 71 71 LEU H H 71 7.820 7.820 7.714 0.106 18818 17008 1 30 . 1 1 72 72 GLY N N 72 106.800 106.800 109.135 -2.335 18818 17009 1 30 . 1 1 72 72 GLY C C 72 174.400 174.400 175.140 -0.740 18818 17010 1 30 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.162 0.538 18818 17011 1 30 . 1 1 72 72 GLY H H 72 8.240 8.240 7.861 0.379 18818 17012 1 30 . 1 1 73 73 SER N N 73 115.600 115.600 116.196 -0.596 18818 17013 1 30 . 1 1 73 73 SER HA H 73 4.570 4.570 4.411 0.159 18818 17014 1 30 . 1 1 73 73 SER C C 73 175.000 175.000 175.138 -0.138 18818 17015 1 30 . 1 1 73 73 SER CA C 73 58.900 58.900 58.474 0.426 18818 17016 1 30 . 1 1 73 73 SER CB C 73 63.600 63.600 62.518 1.082 18818 17017 1 30 . 1 1 73 73 SER H H 73 8.220 8.220 8.425 -0.205 18818 17018 1 30 . 1 1 74 74 CYS N N 74 119.300 119.300 121.477 -2.177 18818 17019 1 30 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.293 0.357 18818 17020 1 30 . 1 1 74 74 CYS C C 74 174.500 174.500 174.378 0.122 18818 17021 1 30 . 1 1 74 74 CYS CA C 74 58.700 58.700 59.834 -1.135 18818 17022 1 30 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.336 -0.636 18818 17023 1 30 . 1 1 74 74 CYS H H 74 8.260 8.260 8.021 0.239 18818 17024 1 30 . 1 1 75 75 ASN N N 75 120.000 120.000 119.411 0.589 18818 17025 1 30 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.469 0.371 18818 17026 1 30 . 1 1 75 75 ASN C C 75 174.700 174.700 175.353 -0.653 18818 17027 1 30 . 1 1 75 75 ASN CA C 75 53.800 53.800 53.738 0.062 18818 17028 1 30 . 1 1 75 75 ASN CB C 75 38.900 38.900 38.966 -0.066 18818 17029 1 30 . 1 1 75 75 ASN H H 75 8.430 8.430 8.522 -0.092 18818 17030 1 30 . 1 1 76 76 ASP N N 76 119.200 119.200 124.980 -5.780 18818 17031 1 30 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.482 0.188 18818 17032 1 30 . 1 1 76 76 ASP C C 76 175.500 175.500 176.726 -1.226 18818 17033 1 30 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.647 -1.247 18818 17034 1 30 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.069 -0.469 18818 17035 1 30 . 1 1 76 76 ASP H H 76 8.300 8.300 8.735 -0.435 18818 17036 1 30 . 1 1 77 77 SER N N 77 112.800 112.800 113.927 -1.127 18818 17037 1 30 . 1 1 77 77 SER HA H 77 4.260 4.260 4.562 -0.302 18818 17038 1 30 . 1 1 77 77 SER C C 77 173.300 173.300 174.157 -0.857 18818 17039 1 30 . 1 1 77 77 SER CA C 77 59.000 59.000 58.418 0.582 18818 17040 1 30 . 1 1 77 77 SER CB C 77 63.100 63.100 63.489 -0.389 18818 17041 1 30 . 1 1 77 77 SER H H 77 8.220 8.220 8.073 0.147 18818 17042 1 30 . 1 1 78 78 LYS N N 78 120.600 120.600 118.352 2.248 18818 17043 1 30 . 1 1 78 78 LYS HA H 78 4.560 4.560 3.859 0.701 18818 17044 1 30 . 1 1 78 78 LYS C C 78 175.300 175.300 176.000 -0.700 18818 17045 1 30 . 1 1 78 78 LYS CA C 78 55.600 55.600 58.595 -2.995 18818 17046 1 30 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.104 2.196 18818 17047 1 30 . 1 1 78 78 LYS H H 78 7.930 7.930 7.500 0.430 18818 17048 1 30 . 1 1 79 79 LEU N N 79 123.700 123.700 121.723 1.977 18818 17049 1 30 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.484 0.296 18818 17050 1 30 . 1 1 79 79 LEU C C 79 176.100 176.100 176.269 -0.169 18818 17051 1 30 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.072 0.128 18818 17052 1 30 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.962 -1.962 18818 17053 1 30 . 1 1 79 79 LEU H H 79 9.020 9.020 8.363 0.657 18818 17054 1 30 . 1 1 80 80 GLU N N 80 121.200 121.200 117.329 3.871 18818 17055 1 30 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.736 0.164 18818 17056 1 30 . 1 1 80 80 GLU C C 80 177.100 177.100 176.873 0.227 18818 17057 1 30 . 1 1 80 80 GLU CA C 80 55.200 55.200 54.209 0.991 18818 17058 1 30 . 1 1 80 80 GLU CB C 80 31.600 31.600 33.090 -1.490 18818 17059 1 30 . 1 1 80 80 GLU H H 80 8.630 8.630 8.030 0.600 18818 17060 1 30 . 1 1 81 81 PHE N N 81 123.500 123.500 123.556 -0.056 18818 17061 1 30 . 1 1 81 81 PHE HA H 81 3.530 3.530 4.100 -0.570 18818 17062 1 30 . 1 1 81 81 PHE C C 81 177.000 177.000 177.062 -0.062 18818 17063 1 30 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.229 0.071 18818 17064 1 30 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.324 -0.824 18818 17065 1 30 . 1 1 81 81 PHE H H 81 9.360 9.360 9.126 0.234 18818 17066 1 30 . 1 1 82 82 ARG N N 82 116.500 116.500 118.668 -2.168 18818 17067 1 30 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.071 -0.031 18818 17068 1 30 . 1 1 82 82 ARG C C 82 178.000 178.000 177.717 0.283 18818 17069 1 30 . 1 1 82 82 ARG CA C 82 59.200 59.200 59.126 0.074 18818 17070 1 30 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.682 -0.482 18818 17071 1 30 . 1 1 82 82 ARG H H 82 8.940 8.940 8.930 0.010 18818 17072 1 30 . 1 1 83 83 SER N N 83 115.700 115.700 114.062 1.638 18818 17073 1 30 . 1 1 83 83 SER HA H 83 4.510 4.510 4.355 0.155 18818 17074 1 30 . 1 1 83 83 SER C C 83 175.800 175.800 176.709 -0.909 18818 17075 1 30 . 1 1 83 83 SER CA C 83 61.700 61.700 61.507 0.193 18818 17076 1 30 . 1 1 83 83 SER CB C 83 62.700 62.700 62.888 -0.188 18818 17077 1 30 . 1 1 83 83 SER H H 83 7.610 7.610 7.808 -0.198 18818 17078 1 30 . 1 1 84 84 PHE N N 84 122.200 122.200 123.673 -1.473 18818 17079 1 30 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.297 -0.077 18818 17080 1 30 . 1 1 84 84 PHE C C 84 175.000 175.000 176.539 -1.539 18818 17081 1 30 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.250 -1.250 18818 17082 1 30 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.476 -0.276 18818 17083 1 30 . 1 1 84 84 PHE H H 84 7.490 7.490 7.735 -0.245 18818 17084 1 30 . 1 1 85 85 TRP N N 85 120.700 120.700 120.288 0.412 18818 17085 1 30 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.206 -0.446 18818 17086 1 30 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.614 -0.814 18818 17087 1 30 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.660 -0.460 18818 17088 1 30 . 1 1 85 85 TRP H H 85 8.770 8.770 7.947 0.823 18818 17089 1 30 . 1 1 86 86 GLU N N 86 119.100 119.100 117.834 1.266 18818 17090 1 30 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.931 0.149 18818 17091 1 30 . 1 1 86 86 GLU C C 86 179.100 179.100 179.060 0.040 18818 17092 1 30 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.353 -0.053 18818 17093 1 30 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.055 0.445 18818 17094 1 30 . 1 1 86 86 GLU H H 86 8.150 8.150 8.468 -0.318 18818 17095 1 30 . 1 1 87 87 LEU N N 87 120.800 120.800 119.105 1.695 18818 17096 1 30 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.110 -0.060 18818 17097 1 30 . 1 1 87 87 LEU C C 87 178.900 178.900 178.451 0.449 18818 17098 1 30 . 1 1 87 87 LEU CA C 87 57.900 57.900 57.270 0.631 18818 17099 1 30 . 1 1 87 87 LEU CB C 87 41.300 41.300 41.901 -0.601 18818 17100 1 30 . 1 1 87 87 LEU H H 87 7.600 7.600 7.475 0.125 18818 17101 1 30 . 1 1 88 88 ILE N N 88 115.200 115.200 119.972 -4.772 18818 17102 1 30 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.438 0.142 18818 17103 1 30 . 1 1 88 88 ILE C C 88 177.300 177.300 177.507 -0.207 18818 17104 1 30 . 1 1 88 88 ILE CA C 88 63.000 63.000 64.863 -1.863 18818 17105 1 30 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.843 -1.243 18818 17106 1 30 . 1 1 88 88 ILE H H 88 7.960 7.960 7.273 0.687 18818 17107 1 30 . 1 1 89 89 GLY N N 89 108.100 108.100 107.821 0.279 18818 17108 1 30 . 1 1 89 89 GLY C C 89 175.700 175.700 175.525 0.175 18818 17109 1 30 . 1 1 89 89 GLY CA C 89 45.400 45.400 47.081 -1.681 18818 17110 1 30 . 1 1 89 89 GLY H H 89 7.620 7.620 7.970 -0.350 18818 17111 1 30 . 1 1 90 90 GLU N N 90 120.000 120.000 121.678 -1.678 18818 17112 1 30 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.042 -0.082 18818 17113 1 30 . 1 1 90 90 GLU C C 90 179.100 179.100 178.595 0.505 18818 17114 1 30 . 1 1 90 90 GLU CA C 90 58.200 58.200 58.237 -0.037 18818 17115 1 30 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.496 -0.696 18818 17116 1 30 . 1 1 90 90 GLU H H 90 7.410 7.410 7.815 -0.405 18818 17117 1 30 . 1 1 91 91 ALA N N 91 122.400 122.400 122.439 -0.039 18818 17118 1 30 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.980 0.040 18818 17119 1 30 . 1 1 91 91 ALA C C 91 178.700 178.700 179.695 -0.995 18818 17120 1 30 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.820 -0.820 18818 17121 1 30 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.327 -0.327 18818 17122 1 30 . 1 1 91 91 ALA H H 91 7.610 7.610 7.790 -0.180 18818 17123 1 30 . 1 1 92 92 ALA N N 92 118.000 118.000 120.880 -2.880 18818 17124 1 30 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.065 -0.395 18818 17125 1 30 . 1 1 92 92 ALA C C 92 177.900 177.900 179.896 -1.996 18818 17126 1 30 . 1 1 92 92 ALA CA C 92 53.900 53.900 54.306 -0.406 18818 17127 1 30 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.354 -0.454 18818 17128 1 30 . 1 1 92 92 ALA H H 92 7.740 7.740 8.216 -0.476 18818 17129 1 30 . 1 1 93 93 LYS N N 93 114.600 114.600 116.965 -2.365 18818 17130 1 30 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.209 -0.439 18818 17131 1 30 . 1 1 93 93 LYS C C 93 177.000 177.000 177.600 -0.600 18818 17132 1 30 . 1 1 93 93 LYS CA C 93 57.500 57.500 58.664 -1.164 18818 17133 1 30 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.385 -0.585 18818 17134 1 30 . 1 1 93 93 LYS H H 93 7.200 7.200 7.963 -0.763 18818 17135 1 30 . 1 1 94 94 SER N N 94 113.000 113.000 112.164 0.836 18818 17136 1 30 . 1 1 94 94 SER HA H 94 4.450 4.450 4.480 -0.030 18818 17137 1 30 . 1 1 94 94 SER C C 94 174.500 174.500 174.073 0.427 18818 17138 1 30 . 1 1 94 94 SER CA C 94 58.800 58.800 58.683 0.117 18818 17139 1 30 . 1 1 94 94 SER CB C 94 63.900 63.900 64.502 -0.602 18818 17140 1 30 . 1 1 94 94 SER H H 94 7.530 7.530 7.662 -0.132 18818 17141 1 30 . 1 1 95 95 VAL N N 95 122.100 122.100 119.817 2.283 18818 17142 1 30 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.284 -0.344 18818 17143 1 30 . 1 1 95 95 VAL C C 95 175.400 175.400 173.782 1.618 18818 17144 1 30 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.807 1.393 18818 17145 1 30 . 1 1 95 95 VAL CB C 95 31.500 31.500 33.080 -1.580 18818 17146 1 30 . 1 1 95 95 VAL H H 95 7.440 7.440 7.436 0.004 18818 17147 1 30 . 1 1 96 96 LYS N N 96 126.300 126.300 127.381 -1.081 18818 17148 1 30 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.582 -0.182 18818 17149 1 30 . 1 1 96 96 LYS C C 96 176.000 176.000 176.691 -0.691 18818 17150 1 30 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.974 0.526 18818 17151 1 30 . 1 1 96 96 LYS CB C 96 32.500 32.500 35.278 -2.778 18818 17152 1 30 . 1 1 96 96 LYS H H 96 8.470 8.470 8.331 0.139 18818 17153 1 30 . 1 1 97 97 LEU N N 97 123.400 123.400 124.809 -1.409 18818 17154 1 30 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.285 0.125 18818 17155 1 30 . 1 1 97 97 LEU C C 97 176.700 176.700 176.650 0.050 18818 17156 1 30 . 1 1 97 97 LEU CA C 97 54.400 54.400 54.978 -0.578 18818 17157 1 30 . 1 1 97 97 LEU CB C 97 42.300 42.300 39.498 2.801 18818 17158 1 30 . 1 1 97 97 LEU H H 97 8.140 8.140 8.347 -0.207 18818 17159 1 30 . 1 1 98 98 GLU N N 98 121.400 121.400 121.407 -0.007 18818 17160 1 30 . 1 1 98 98 GLU HA H 98 4.340 4.340 3.831 0.509 18818 17161 1 30 . 1 1 98 98 GLU C C 98 175.900 175.900 176.037 -0.137 18818 17162 1 30 . 1 1 98 98 GLU CA C 98 56.200 56.200 58.625 -2.425 18818 17163 1 30 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.252 0.848 18818 17164 1 30 . 1 1 98 98 GLU H H 98 8.320 8.320 8.778 -0.458 18818 17165 1 30 . 1 1 99 99 ARG N N 99 122.800 122.800 117.096 5.704 18818 17166 1 30 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.110 0.700 18818 17167 1 30 . 1 1 99 99 ARG C C 99 173.900 173.900 174.141 -0.241 18818 17168 1 30 . 1 1 99 99 ARG CA C 99 53.600 53.600 55.786 -2.186 18818 17169 1 30 . 1 1 99 99 ARG CB C 99 29.900 29.900 27.457 2.443 18818 17170 1 30 . 1 1 99 99 ARG H H 99 8.280 8.280 8.110 0.170 18818 17171 1 30 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.291 0.229 18818 17172 1 30 . 1 1 100 100 PRO C C 100 176.700 176.700 176.838 -0.138 18818 17173 1 30 . 1 1 100 100 PRO CA C 100 62.800 62.800 63.500 -0.700 18818 17174 1 30 . 1 1 100 100 PRO CB C 100 31.700 31.700 31.876 -0.176 18818 17175 1 30 . 1 1 101 101 VAL N N 101 120.500 120.500 119.996 0.504 18818 17176 1 30 . 1 1 101 101 VAL HA H 101 4.130 4.130 3.889 0.241 18818 17177 1 30 . 1 1 101 101 VAL C C 101 176.000 176.000 176.397 -0.397 18818 17178 1 30 . 1 1 101 101 VAL CA C 101 62.100 62.100 62.910 -0.810 18818 17179 1 30 . 1 1 101 101 VAL CB C 101 32.200 32.200 32.868 -0.668 18818 17180 1 30 . 1 1 101 101 VAL H H 101 8.230 8.230 7.545 0.685 18818 17181 1 30 . 1 1 102 102 ARG N N 102 124.600 124.600 126.410 -1.810 18818 17182 1 30 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.401 0.019 18818 17183 1 30 . 1 1 102 102 ARG C C 102 176.400 176.400 176.692 -0.292 18818 17184 1 30 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.138 -0.238 18818 17185 1 30 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.231 0.469 18818 17186 1 30 . 1 1 102 102 ARG H H 102 8.390 8.390 8.560 -0.170 18818 17187 1 30 . 1 1 103 103 GLY N N 103 110.400 110.400 108.329 2.071 18818 17188 1 30 . 1 1 103 103 GLY C C 103 172.900 172.900 173.633 -0.733 18818 17189 1 30 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.565 0.435 18818 17190 1 30 . 1 1 103 103 GLY H H 103 8.400 8.400 7.747 0.653 18818 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 95 2.353 -0.240 2.353 18818 2 1 1 "Average Difference" HA 95 0.288 -0.015 0.290 18818 3 1 1 "Average Difference" C 98 0.904 0.067 0.906 18818 4 1 1 "Average Difference" CA 99 1.036 0.112 1.035 18818 5 1 1 "Average Difference" CB 93 1.005 0.306 0.962 18818 6 1 1 "Average Difference" HN 95 0.468 -0.157 0.443 18818 7 1 2 "Average Difference" N 95 2.186 -0.286 2.179 18818 8 1 2 "Average Difference" HA 95 0.293 -0.002 0.294 18818 9 1 2 "Average Difference" C 98 0.844 0.185 0.828 18818 10 1 2 "Average Difference" CA 99 1.011 0.080 1.013 18818 11 1 2 "Average Difference" CB 93 0.967 0.217 0.948 18818 12 1 2 "Average Difference" HN 95 0.489 -0.174 0.460 18818 13 1 3 "Average Difference" N 95 2.527 -0.081 2.539 18818 14 1 3 "Average Difference" HA 95 0.299 -0.007 0.300 18818 15 1 3 "Average Difference" C 98 0.904 0.075 0.905 18818 16 1 3 "Average Difference" CA 99 1.040 0.005 1.045 18818 17 1 3 "Average Difference" CB 93 1.012 0.283 0.977 18818 18 1 3 "Average Difference" HN 95 0.436 -0.111 0.424 18818 19 1 4 "Average Difference" N 95 2.365 -0.158 2.373 18818 20 1 4 "Average Difference" HA 95 0.296 0.016 0.297 18818 21 1 4 "Average Difference" C 98 0.869 0.083 0.870 18818 22 1 4 "Average Difference" CA 99 1.052 -0.011 1.057 18818 23 1 4 "Average Difference" CB 93 1.032 0.238 1.009 18818 24 1 4 "Average Difference" HN 95 0.463 -0.147 0.442 18818 25 1 5 "Average Difference" N 95 2.070 -0.043 2.081 18818 26 1 5 "Average Difference" HA 95 0.296 -0.001 0.298 18818 27 1 5 "Average Difference" C 98 0.858 0.110 0.856 18818 28 1 5 "Average Difference" CA 99 0.985 0.080 0.986 18818 29 1 5 "Average Difference" CB 93 1.057 0.362 0.999 18818 30 1 5 "Average Difference" HN 95 0.448 -0.131 0.431 18818 31 1 6 "Average Difference" N 95 2.872 -0.144 2.884 18818 32 1 6 "Average Difference" HA 95 0.287 -0.003 0.288 18818 33 1 6 "Average Difference" C 98 0.849 0.096 0.848 18818 34 1 6 "Average Difference" CA 99 1.088 0.087 1.090 18818 35 1 6 "Average Difference" CB 93 1.057 0.310 1.016 18818 36 1 6 "Average Difference" HN 95 0.426 -0.149 0.401 18818 37 1 7 "Average Difference" N 95 2.086 -0.480 2.040 18818 38 1 7 "Average Difference" HA 95 0.286 -0.027 0.286 18818 39 1 7 "Average Difference" C 98 0.918 0.068 0.920 18818 40 1 7 "Average Difference" CA 99 1.074 0.045 1.079 18818 41 1 7 "Average Difference" CB 93 0.854 0.296 0.805 18818 42 1 7 "Average Difference" HN 95 0.471 -0.197 0.430 18818 43 1 8 "Average Difference" N 95 2.299 -0.403 2.275 18818 44 1 8 "Average Difference" HA 95 0.283 0.012 0.284 18818 45 1 8 "Average Difference" C 98 0.949 0.060 0.952 18818 46 1 8 "Average Difference" CA 99 1.023 0.055 1.027 18818 47 1 8 "Average Difference" CB 93 0.934 0.289 0.893 18818 48 1 8 "Average Difference" HN 95 0.431 -0.134 0.411 18818 49 1 9 "Average Difference" N 95 2.698 -0.198 2.705 18818 50 1 9 "Average Difference" HA 95 0.313 -0.011 0.315 18818 51 1 9 "Average Difference" C 98 0.960 0.040 0.964 18818 52 1 9 "Average Difference" CA 99 1.159 0.154 1.154 18818 53 1 9 "Average Difference" CB 93 0.983 0.266 0.952 18818 54 1 9 "Average Difference" HN 95 0.459 -0.153 0.436 18818 55 1 10 "Average Difference" N 95 2.358 -0.190 2.363 18818 56 1 10 "Average Difference" HA 95 0.298 -0.020 0.299 18818 57 1 10 "Average Difference" C 98 0.872 0.076 0.873 18818 58 1 10 "Average Difference" CA 99 1.005 0.082 1.007 18818 59 1 10 "Average Difference" CB 93 0.966 0.283 0.929 18818 60 1 10 "Average Difference" HN 95 0.467 -0.132 0.450 18818 61 1 11 "Average Difference" N 95 2.412 -0.303 2.405 18818 62 1 11 "Average Difference" HA 95 0.282 0.006 0.283 18818 63 1 11 "Average Difference" C 98 0.915 0.069 0.917 18818 64 1 11 "Average Difference" CA 99 1.073 0.082 1.075 18818 65 1 11 "Average Difference" CB 93 0.995 0.411 0.912 18818 66 1 11 "Average Difference" HN 95 0.477 -0.145 0.456 18818 67 1 12 "Average Difference" N 95 2.172 -0.170 2.177 18818 68 1 12 "Average Difference" HA 95 0.271 0.019 0.271 18818 69 1 12 "Average Difference" C 98 0.854 -0.114 0.851 18818 70 1 12 "Average Difference" CA 99 0.991 0.035 0.995 18818 71 1 12 "Average Difference" CB 93 1.124 0.445 1.038 18818 72 1 12 "Average Difference" HN 95 0.518 -0.155 0.497 18818 73 1 13 "Average Difference" N 95 2.278 -0.510 2.232 18818 74 1 13 "Average Difference" HA 95 0.287 -0.002 0.288 18818 75 1 13 "Average Difference" C 98 0.865 0.169 0.853 18818 76 1 13 "Average Difference" CA 99 1.139 0.074 1.142 18818 77 1 13 "Average Difference" CB 93 0.914 0.280 0.874 18818 78 1 13 "Average Difference" HN 95 0.500 -0.189 0.465 18818 79 1 14 "Average Difference" N 95 2.325 -0.168 2.331 18818 80 1 14 "Average Difference" HA 95 0.302 0.009 0.304 18818 81 1 14 "Average Difference" C 98 0.866 0.051 0.869 18818 82 1 14 "Average Difference" CA 99 0.990 0.062 0.993 18818 83 1 14 "Average Difference" CB 93 1.068 0.287 1.034 18818 84 1 14 "Average Difference" HN 95 0.459 -0.180 0.425 18818 85 1 15 "Average Difference" N 95 2.414 -0.195 2.419 18818 86 1 15 "Average Difference" HA 95 0.303 0.005 0.305 18818 87 1 15 "Average Difference" C 98 0.881 0.022 0.885 18818 88 1 15 "Average Difference" CA 99 1.011 -0.038 1.016 18818 89 1 15 "Average Difference" CB 93 0.896 0.410 0.801 18818 90 1 15 "Average Difference" HN 95 0.432 -0.168 0.400 18818 91 1 16 "Average Difference" N 95 2.065 -0.234 2.063 18818 92 1 16 "Average Difference" HA 95 0.304 0.005 0.306 18818 93 1 16 "Average Difference" C 98 0.906 0.037 0.910 18818 94 1 16 "Average Difference" CA 99 1.011 0.067 1.014 18818 95 1 16 "Average Difference" CB 93 1.060 0.363 1.001 18818 96 1 16 "Average Difference" HN 95 0.482 -0.188 0.446 18818 97 1 17 "Average Difference" N 95 2.167 -0.391 2.143 18818 98 1 17 "Average Difference" HA 95 0.301 0.010 0.302 18818 99 1 17 "Average Difference" C 98 0.965 0.069 0.968 18818 100 1 17 "Average Difference" CA 99 1.223 0.006 1.229 18818 101 1 17 "Average Difference" CB 93 1.050 0.233 1.029 18818 102 1 17 "Average Difference" HN 95 0.429 -0.134 0.410 18818 103 1 18 "Average Difference" N 95 2.578 -0.338 2.570 18818 104 1 18 "Average Difference" HA 95 0.280 0.003 0.282 18818 105 1 18 "Average Difference" C 98 0.924 0.107 0.923 18818 106 1 18 "Average Difference" CA 99 1.179 0.115 1.180 18818 107 1 18 "Average Difference" CB 93 0.857 0.260 0.821 18818 108 1 18 "Average Difference" HN 95 0.466 -0.132 0.449 18818 109 1 19 "Average Difference" N 95 2.299 -0.165 2.305 18818 110 1 19 "Average Difference" HA 95 0.300 -0.001 0.302 18818 111 1 19 "Average Difference" C 98 0.915 0.156 0.906 18818 112 1 19 "Average Difference" CA 99 1.176 0.204 1.164 18818 113 1 19 "Average Difference" CB 93 0.936 0.347 0.874 18818 114 1 19 "Average Difference" HN 95 0.454 -0.132 0.436 18818 115 1 20 "Average Difference" N 95 2.533 -0.098 2.544 18818 116 1 20 "Average Difference" HA 95 0.285 -0.004 0.286 18818 117 1 20 "Average Difference" C 98 0.896 0.049 0.899 18818 118 1 20 "Average Difference" CA 99 1.087 0.058 1.091 18818 119 1 20 "Average Difference" CB 93 0.889 0.352 0.821 18818 120 1 20 "Average Difference" HN 95 0.476 -0.190 0.439 18818 121 1 21 "Average Difference" N 95 2.399 -0.170 2.406 18818 122 1 21 "Average Difference" HA 95 0.295 -0.012 0.296 18818 123 1 21 "Average Difference" C 98 0.906 0.120 0.903 18818 124 1 21 "Average Difference" CA 99 1.173 0.088 1.175 18818 125 1 21 "Average Difference" CB 93 0.904 0.228 0.879 18818 126 1 21 "Average Difference" HN 95 0.476 -0.185 0.441 18818 127 1 22 "Average Difference" N 95 2.255 -0.341 2.241 18818 128 1 22 "Average Difference" HA 95 0.296 -0.018 0.297 18818 129 1 22 "Average Difference" C 98 0.939 0.129 0.935 18818 130 1 22 "Average Difference" CA 99 1.112 0.109 1.112 18818 131 1 22 "Average Difference" CB 93 0.994 0.160 0.987 18818 132 1 22 "Average Difference" HN 95 0.471 -0.161 0.446 18818 133 1 23 "Average Difference" N 95 2.460 -0.528 2.415 18818 134 1 23 "Average Difference" HA 95 0.288 -0.012 0.289 18818 135 1 23 "Average Difference" C 98 0.926 0.025 0.930 18818 136 1 23 "Average Difference" CA 99 1.087 0.041 1.092 18818 137 1 23 "Average Difference" CB 93 0.963 0.285 0.925 18818 138 1 23 "Average Difference" HN 95 0.481 -0.155 0.457 18818 139 1 24 "Average Difference" N 95 2.390 -0.488 2.352 18818 140 1 24 "Average Difference" HA 95 0.286 0.022 0.287 18818 141 1 24 "Average Difference" C 98 0.888 0.035 0.891 18818 142 1 24 "Average Difference" CA 99 1.006 0.032 1.010 18818 143 1 24 "Average Difference" CB 93 1.047 0.335 0.997 18818 144 1 24 "Average Difference" HN 95 0.446 -0.165 0.416 18818 145 1 25 "Average Difference" N 95 2.306 0.044 2.318 18818 146 1 25 "Average Difference" HA 95 0.288 0.035 0.287 18818 147 1 25 "Average Difference" C 98 0.942 0.025 0.947 18818 148 1 25 "Average Difference" CA 99 0.984 0.006 0.989 18818 149 1 25 "Average Difference" CB 93 0.967 0.421 0.876 18818 150 1 25 "Average Difference" HN 95 0.469 -0.119 0.456 18818 151 1 26 "Average Difference" N 95 1.918 -0.126 1.924 18818 152 1 26 "Average Difference" HA 95 0.308 -0.004 0.309 18818 153 1 26 "Average Difference" C 98 0.944 0.031 0.948 18818 154 1 26 "Average Difference" CA 99 1.004 -0.020 1.009 18818 155 1 26 "Average Difference" CB 93 1.309 0.478 1.225 18818 156 1 26 "Average Difference" HN 95 0.456 -0.132 0.439 18818 157 1 27 "Average Difference" N 95 2.620 -0.377 2.607 18818 158 1 27 "Average Difference" HA 95 0.299 -0.013 0.300 18818 159 1 27 "Average Difference" C 98 0.895 0.134 0.890 18818 160 1 27 "Average Difference" CA 99 1.079 0.113 1.078 18818 161 1 27 "Average Difference" CB 93 0.915 0.267 0.880 18818 162 1 27 "Average Difference" HN 95 0.459 -0.143 0.439 18818 163 1 28 "Average Difference" N 95 2.241 -0.245 2.239 18818 164 1 28 "Average Difference" HA 95 0.272 0.034 0.271 18818 165 1 28 "Average Difference" C 98 0.835 -0.019 0.839 18818 166 1 28 "Average Difference" CA 99 0.901 -0.033 0.905 18818 167 1 28 "Average Difference" CB 93 0.954 0.419 0.862 18818 168 1 28 "Average Difference" HN 95 0.441 -0.125 0.425 18818 169 1 29 "Average Difference" N 95 2.495 -0.328 2.486 18818 170 1 29 "Average Difference" HA 95 0.295 -0.032 0.295 18818 171 1 29 "Average Difference" C 98 0.897 0.091 0.897 18818 172 1 29 "Average Difference" CA 99 1.152 0.108 1.153 18818 173 1 29 "Average Difference" CB 93 1.078 0.248 1.054 18818 174 1 29 "Average Difference" HN 95 0.473 -0.140 0.454 18818 175 1 30 "Average Difference" N 95 2.339 -0.041 2.351 18818 176 1 30 "Average Difference" HA 95 0.311 -0.023 0.312 18818 177 1 30 "Average Difference" C 98 1.022 0.184 1.010 18818 178 1 30 "Average Difference" CA 99 1.172 0.150 1.169 18818 179 1 30 "Average Difference" CB 93 0.980 0.210 0.963 18818 180 1 30 "Average Difference" HN 95 0.467 -0.141 0.448 18818 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 18818 _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 5 5 ARG N N 5 124.100 124.100 122.818 1.282 18818 2 1 . 1 1 5 5 ARG HA H 5 4.050 4.050 4.388 -0.338 18818 3 1 . 1 1 5 5 ARG C C 5 173.800 173.800 175.750 -1.950 18818 4 1 . 1 1 5 5 ARG CA C 5 56.000 56.000 56.323 -0.323 18818 5 1 . 1 1 5 5 ARG CB C 5 30.700 30.700 30.780 -0.080 18818 6 1 . 1 1 5 5 ARG H H 5 8.570 8.570 8.497 0.073 18818 7 1 . 1 1 6 6 SER N N 6 117.500 117.500 116.441 1.059 18818 8 1 . 1 1 6 6 SER HA H 6 4.510 4.510 4.498 0.012 18818 9 1 . 1 1 6 6 SER C C 6 174.100 174.100 174.244 -0.144 18818 10 1 . 1 1 6 6 SER CA C 6 58.000 58.000 58.189 -0.189 18818 11 1 . 1 1 6 6 SER CB C 6 63.700 63.700 63.882 -0.182 18818 12 1 . 1 1 6 6 SER H H 6 8.370 8.370 8.332 0.038 18818 13 1 . 1 1 7 7 ALA N N 7 125.900 125.900 125.518 0.382 18818 14 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.420 -0.020 18818 15 1 . 1 1 7 7 ALA C C 7 177.200 177.200 177.098 0.102 18818 16 1 . 1 1 7 7 ALA CA C 7 52.600 52.600 52.378 0.222 18818 17 1 . 1 1 7 7 ALA CB C 7 19.000 19.000 19.163 -0.163 18818 18 1 . 1 1 7 7 ALA H H 7 8.410 8.410 8.382 0.028 18818 19 1 . 1 1 8 8 ASN N N 8 117.400 117.400 118.474 -1.074 18818 20 1 . 1 1 8 8 ASN HA H 8 4.770 4.770 4.573 0.197 18818 21 1 . 1 1 8 8 ASN C C 8 174.900 174.900 175.635 -0.735 18818 22 1 . 1 1 8 8 ASN CA C 8 52.900 52.900 54.380 -1.480 18818 23 1 . 1 1 8 8 ASN CB C 8 38.800 38.800 39.268 -0.468 18818 24 1 . 1 1 8 8 ASN H H 8 8.360 8.360 8.278 0.082 18818 25 1 . 1 1 9 9 ALA N N 9 124.400 124.400 122.472 1.928 18818 26 1 . 1 1 9 9 ALA HA H 9 4.350 4.350 4.215 0.135 18818 27 1 . 1 1 9 9 ALA C C 9 177.800 177.800 177.876 -0.076 18818 28 1 . 1 1 9 9 ALA CA C 9 52.700 52.700 53.357 -0.657 18818 29 1 . 1 1 9 9 ALA CB C 9 18.900 18.900 18.504 0.396 18818 30 1 . 1 1 9 9 ALA H H 9 8.270 8.270 8.537 -0.267 18818 31 1 . 1 1 10 10 GLU N N 10 119.300 119.300 117.980 1.320 18818 32 1 . 1 1 10 10 GLU HA H 10 4.310 4.310 4.148 0.162 18818 33 1 . 1 1 10 10 GLU C C 10 176.400 176.400 177.008 -0.608 18818 34 1 . 1 1 10 10 GLU CA C 10 56.900 56.900 58.128 -1.228 18818 35 1 . 1 1 10 10 GLU CB C 10 29.600 29.600 29.661 -0.061 18818 36 1 . 1 1 10 10 GLU H H 10 8.470 8.470 8.331 0.139 18818 37 1 . 1 1 11 11 ASP N N 11 120.600 120.600 118.456 2.144 18818 38 1 . 1 1 11 11 ASP HA H 11 4.610 4.610 4.641 -0.031 18818 39 1 . 1 1 11 11 ASP C C 11 176.100 176.100 175.661 0.439 18818 40 1 . 1 1 11 11 ASP CA C 11 54.300 54.300 53.987 0.313 18818 41 1 . 1 1 11 11 ASP CB C 11 40.800 40.800 41.677 -0.877 18818 42 1 . 1 1 11 11 ASP H H 11 8.200 8.200 7.995 0.205 18818 43 1 . 1 1 12 12 ALA N N 12 123.800 123.800 121.702 2.098 18818 44 1 . 1 1 12 12 ALA HA H 12 4.090 4.090 3.748 0.342 18818 45 1 . 1 1 12 12 ALA C C 12 177.800 177.800 176.572 1.229 18818 46 1 . 1 1 12 12 ALA CA C 12 52.500 52.500 53.034 -0.534 18818 47 1 . 1 1 12 12 ALA CB C 12 18.800 18.800 17.730 1.070 18818 48 1 . 1 1 12 12 ALA H H 12 8.070 8.070 7.848 0.222 18818 49 1 . 1 1 13 13 GLN N N 13 118.500 118.500 117.582 0.918 18818 50 1 . 1 1 13 13 GLN HA H 13 4.270 4.270 4.261 0.009 18818 51 1 . 1 1 13 13 GLN C C 13 175.700 175.700 176.370 -0.670 18818 52 1 . 1 1 13 13 GLN CA C 13 55.900 55.900 56.419 -0.519 18818 53 1 . 1 1 13 13 GLN CB C 13 29.100 29.100 29.454 -0.354 18818 54 1 . 1 1 13 13 GLN H H 13 8.230 8.230 8.392 -0.162 18818 55 1 . 1 1 14 14 GLU N N 14 120.600 120.600 118.689 1.911 18818 56 1 . 1 1 14 14 GLU HA H 14 4.300 4.300 4.220 0.080 18818 57 1 . 1 1 14 14 GLU C C 14 175.800 175.800 176.193 -0.393 18818 58 1 . 1 1 14 14 GLU CA C 14 55.800 55.800 57.045 -1.245 18818 59 1 . 1 1 14 14 GLU CB C 14 29.900 29.900 29.804 0.096 18818 60 1 . 1 1 14 14 GLU H H 14 8.100 8.100 8.233 -0.133 18818 61 1 . 1 1 15 15 PHE N N 15 121.100 121.100 118.491 2.609 18818 62 1 . 1 1 15 15 PHE HA H 15 4.880 4.880 4.787 0.093 18818 63 1 . 1 1 15 15 PHE C C 15 176.900 176.900 176.610 0.290 18818 64 1 . 1 1 15 15 PHE CA C 15 55.300 55.300 55.813 -0.513 18818 65 1 . 1 1 15 15 PHE CB C 15 39.300 39.300 39.887 -0.587 18818 66 1 . 1 1 15 15 PHE H H 15 8.030 8.030 7.454 0.576 18818 67 1 . 1 1 16 16 SER N N 16 119.400 119.400 117.190 2.210 18818 68 1 . 1 1 16 16 SER HA H 16 4.850 4.850 4.422 0.428 18818 69 1 . 1 1 16 16 SER C C 16 174.800 174.800 175.563 -0.763 18818 70 1 . 1 1 16 16 SER CA C 16 57.000 57.000 58.332 -1.332 18818 71 1 . 1 1 16 16 SER CB C 16 65.600 65.600 64.531 1.069 18818 72 1 . 1 1 16 16 SER H H 16 9.530 9.530 8.848 0.682 18818 73 1 . 1 1 17 17 ASP N N 17 121.300 121.300 122.456 -1.156 18818 74 1 . 1 1 17 17 ASP HA H 17 4.550 4.550 4.450 0.100 18818 75 1 . 1 1 17 17 ASP C C 17 179.700 179.700 178.135 1.565 18818 76 1 . 1 1 17 17 ASP CA C 17 58.000 58.000 57.666 0.334 18818 77 1 . 1 1 17 17 ASP CB C 17 39.500 39.500 40.572 -1.072 18818 78 1 . 1 1 17 17 ASP H H 17 9.270 9.270 8.930 0.340 18818 79 1 . 1 1 18 18 VAL N N 18 120.600 120.600 119.360 1.240 18818 80 1 . 1 1 18 18 VAL HA H 18 3.680 3.680 3.925 -0.245 18818 81 1 . 1 1 18 18 VAL C C 18 176.900 176.900 177.035 -0.135 18818 82 1 . 1 1 18 18 VAL CA C 18 66.500 66.500 64.938 1.562 18818 83 1 . 1 1 18 18 VAL CB C 18 31.900 31.900 32.078 -0.178 18818 84 1 . 1 1 18 18 VAL H H 18 8.230 8.230 7.825 0.405 18818 85 1 . 1 1 19 19 GLU N N 19 121.000 121.000 119.877 1.123 18818 86 1 . 1 1 19 19 GLU HA H 19 3.740 3.740 4.087 -0.347 18818 87 1 . 1 1 19 19 GLU C C 19 178.600 178.600 178.862 -0.262 18818 88 1 . 1 1 19 19 GLU CA C 19 60.000 60.000 59.453 0.547 18818 89 1 . 1 1 19 19 GLU CB C 19 28.700 28.700 29.617 -0.917 18818 90 1 . 1 1 19 19 GLU H H 19 8.180 8.180 7.933 0.247 18818 91 1 . 1 1 20 20 ARG N N 20 118.100 118.100 117.881 0.219 18818 92 1 . 1 1 20 20 ARG HA H 20 4.300 4.300 4.359 -0.059 18818 93 1 . 1 1 20 20 ARG C C 20 178.700 178.700 178.228 0.472 18818 94 1 . 1 1 20 20 ARG CA C 20 59.100 59.100 58.763 0.337 18818 95 1 . 1 1 20 20 ARG CB C 20 29.700 29.700 29.912 -0.211 18818 96 1 . 1 1 20 20 ARG H H 20 8.920 8.920 8.601 0.318 18818 97 1 . 1 1 21 21 ALA N N 21 123.800 123.800 123.543 0.257 18818 98 1 . 1 1 21 21 ALA HA H 21 4.420 4.420 4.178 0.242 18818 99 1 . 1 1 21 21 ALA C C 21 179.300 179.300 179.529 -0.229 18818 100 1 . 1 1 21 21 ALA CA C 21 55.200 55.200 54.914 0.286 18818 101 1 . 1 1 21 21 ALA CB C 21 17.900 17.900 18.318 -0.418 18818 102 1 . 1 1 21 21 ALA H H 21 8.060 8.060 7.688 0.372 18818 103 1 . 1 1 22 22 ILE N N 22 118.200 118.200 118.547 -0.347 18818 104 1 . 1 1 22 22 ILE HA H 22 3.720 3.720 3.729 -0.009 18818 105 1 . 1 1 22 22 ILE C C 22 177.500 177.500 178.165 -0.665 18818 106 1 . 1 1 22 22 ILE CA C 22 66.000 66.000 65.663 0.337 18818 107 1 . 1 1 22 22 ILE CB C 22 37.400 37.400 37.695 -0.295 18818 108 1 . 1 1 22 22 ILE H H 22 8.010 8.010 7.782 0.228 18818 109 1 . 1 1 23 23 GLU N N 23 120.100 120.100 119.657 0.443 18818 110 1 . 1 1 23 23 GLU HA H 23 3.960 3.960 4.050 -0.090 18818 111 1 . 1 1 23 23 GLU C C 23 178.000 178.000 179.097 -1.097 18818 112 1 . 1 1 23 23 GLU CA C 23 60.300 60.300 59.890 0.410 18818 113 1 . 1 1 23 23 GLU CB C 23 29.500 29.500 29.402 0.098 18818 114 1 . 1 1 23 23 GLU H H 23 8.450 8.450 7.960 0.490 18818 115 1 . 1 1 24 24 THR N N 24 117.300 117.300 116.250 1.050 18818 116 1 . 1 1 24 24 THR HA H 24 4.010 4.010 4.154 -0.144 18818 117 1 . 1 1 24 24 THR C C 24 177.000 177.000 176.771 0.229 18818 118 1 . 1 1 24 24 THR CA C 24 67.100 67.100 66.835 0.265 18818 119 1 . 1 1 24 24 THR CB C 24 68.200 68.200 68.751 -0.551 18818 120 1 . 1 1 24 24 THR H H 24 8.720 8.720 8.089 0.631 18818 121 1 . 1 1 25 25 LEU N N 25 123.400 123.400 120.466 2.934 18818 122 1 . 1 1 25 25 LEU HA H 25 4.280 4.280 4.412 -0.132 18818 123 1 . 1 1 25 25 LEU C C 25 178.200 178.200 178.617 -0.417 18818 124 1 . 1 1 25 25 LEU CA C 25 59.300 59.300 57.837 1.463 18818 125 1 . 1 1 25 25 LEU CB C 25 41.700 41.700 41.690 0.010 18818 126 1 . 1 1 25 25 LEU H H 25 8.150 8.150 7.771 0.379 18818 127 1 . 1 1 26 26 ILE N N 26 119.500 119.500 120.487 -0.987 18818 128 1 . 1 1 26 26 ILE HA H 26 4.000 4.000 3.840 0.160 18818 129 1 . 1 1 26 26 ILE C C 26 177.900 177.900 178.417 -0.517 18818 130 1 . 1 1 26 26 ILE CA C 26 64.100 64.100 64.021 0.079 18818 131 1 . 1 1 26 26 ILE CB C 26 37.300 37.300 37.418 -0.118 18818 132 1 . 1 1 26 26 ILE H H 26 8.510 8.510 8.197 0.313 18818 133 1 . 1 1 27 27 LYS N N 27 120.500 120.500 119.164 1.336 18818 134 1 . 1 1 27 27 LYS HA H 27 4.150 4.150 4.007 0.143 18818 135 1 . 1 1 27 27 LYS C C 27 179.600 179.600 178.931 0.669 18818 136 1 . 1 1 27 27 LYS CA C 27 60.100 60.100 59.134 0.966 18818 137 1 . 1 1 27 27 LYS CB C 27 32.000 32.000 31.541 0.459 18818 138 1 . 1 1 27 27 LYS H H 27 9.000 9.000 8.539 0.461 18818 139 1 . 1 1 28 28 ASN N N 28 117.300 117.300 117.149 0.150 18818 140 1 . 1 1 28 28 ASN HA H 28 4.560 4.560 4.706 -0.146 18818 141 1 . 1 1 28 28 ASN C C 28 176.000 176.000 177.190 -1.189 18818 142 1 . 1 1 28 28 ASN CA C 28 57.700 57.700 55.980 1.720 18818 143 1 . 1 1 28 28 ASN CB C 28 40.300 40.300 38.656 1.644 18818 144 1 . 1 1 28 28 ASN H H 28 7.990 7.990 7.739 0.251 18818 145 1 . 1 1 29 29 PHE N N 29 119.100 119.100 121.643 -2.543 18818 146 1 . 1 1 29 29 PHE HA H 29 3.910 3.910 3.642 0.268 18818 147 1 . 1 1 29 29 PHE C C 29 176.200 176.200 177.014 -0.814 18818 148 1 . 1 1 29 29 PHE CA C 29 61.200 61.200 61.470 -0.270 18818 149 1 . 1 1 29 29 PHE CB C 29 38.600 38.600 38.750 -0.150 18818 150 1 . 1 1 29 29 PHE H H 29 7.990 7.990 8.051 -0.061 18818 151 1 . 1 1 30 30 HIS N N 30 114.700 114.700 116.703 -2.003 18818 152 1 . 1 1 30 30 HIS HA H 30 4.320 4.320 4.381 -0.061 18818 153 1 . 1 1 30 30 HIS C C 30 177.400 177.400 177.240 0.160 18818 154 1 . 1 1 30 30 HIS CA C 30 58.500 58.500 58.974 -0.474 18818 155 1 . 1 1 30 30 HIS CB C 30 29.600 29.600 29.679 -0.079 18818 156 1 . 1 1 30 30 HIS H H 30 8.180 8.180 7.753 0.427 18818 157 1 . 1 1 31 31 GLN N N 31 118.500 118.500 117.245 1.255 18818 158 1 . 1 1 31 31 GLN HA H 31 4.080 4.080 4.120 -0.040 18818 159 1 . 1 1 31 31 GLN C C 31 176.600 176.600 177.115 -0.515 18818 160 1 . 1 1 31 31 GLN CA C 31 57.800 57.800 57.860 -0.060 18818 161 1 . 1 1 31 31 GLN CB C 31 28.400 28.400 28.888 -0.488 18818 162 1 . 1 1 31 31 GLN H H 31 8.280 8.280 8.232 0.048 18818 163 1 . 1 1 32 32 TYR N N 32 115.700 115.700 117.339 -1.639 18818 164 1 . 1 1 32 32 TYR HA H 32 4.210 4.210 4.475 -0.265 18818 165 1 . 1 1 32 32 TYR C C 32 174.800 174.800 176.244 -1.444 18818 166 1 . 1 1 32 32 TYR CA C 32 59.700 59.700 58.894 0.806 18818 167 1 . 1 1 32 32 TYR CB C 32 38.700 38.700 39.937 -1.237 18818 168 1 . 1 1 32 32 TYR H H 32 7.410 7.410 7.738 -0.328 18818 169 1 . 1 1 33 33 SER N N 33 114.000 114.000 116.639 -2.639 18818 170 1 . 1 1 33 33 SER HA H 33 4.530 4.530 4.419 0.111 18818 171 1 . 1 1 33 33 SER C C 33 175.000 175.000 174.717 0.283 18818 172 1 . 1 1 33 33 SER CA C 33 57.200 57.200 58.537 -1.337 18818 173 1 . 1 1 33 33 SER CB C 33 63.200 63.200 61.657 1.543 18818 174 1 . 1 1 33 33 SER H H 33 7.260 7.260 7.894 -0.634 18818 175 1 . 1 1 34 34 VAL N N 34 126.600 126.600 121.406 5.194 18818 176 1 . 1 1 34 34 VAL HA H 34 4.010 4.010 4.029 -0.019 18818 177 1 . 1 1 34 34 VAL C C 34 177.800 177.800 176.747 1.053 18818 178 1 . 1 1 34 34 VAL CA C 34 64.400 64.400 63.935 0.465 18818 179 1 . 1 1 34 34 VAL CB C 34 32.100 32.100 31.873 0.227 18818 180 1 . 1 1 34 34 VAL H H 34 8.490 8.490 8.103 0.387 18818 181 1 . 1 1 35 35 GLU N N 35 122.100 122.100 120.075 2.025 18818 182 1 . 1 1 35 35 GLU HA H 35 4.250 4.250 4.310 -0.060 18818 183 1 . 1 1 35 35 GLU C C 35 177.800 177.800 177.833 -0.033 18818 184 1 . 1 1 35 35 GLU CA C 35 57.500 57.500 57.299 0.201 18818 185 1 . 1 1 35 35 GLU CB C 35 29.800 29.800 30.341 -0.541 18818 186 1 . 1 1 35 35 GLU H H 35 8.980 8.980 8.617 0.363 18818 187 1 . 1 1 36 36 GLY N N 36 108.500 108.500 106.853 1.647 18818 188 1 . 1 1 36 36 GLY C C 36 175.000 175.000 174.799 0.201 18818 189 1 . 1 1 36 36 GLY CA C 36 45.300 45.300 44.870 0.430 18818 190 1 . 1 1 36 36 GLY H H 36 8.490 8.490 8.028 0.462 18818 191 1 . 1 1 37 37 GLY N N 37 108.700 108.700 107.730 0.970 18818 192 1 . 1 1 37 37 GLY C C 37 174.100 174.100 174.862 -0.762 18818 193 1 . 1 1 37 37 GLY CA C 37 45.800 45.800 45.103 0.697 18818 194 1 . 1 1 37 37 GLY H H 37 8.140 8.140 7.946 0.194 18818 195 1 . 1 1 38 38 LYS N N 38 118.000 118.000 117.526 0.474 18818 196 1 . 1 1 38 38 LYS HA H 38 4.470 4.470 3.941 0.529 18818 197 1 . 1 1 38 38 LYS C C 38 176.000 176.000 176.677 -0.677 18818 198 1 . 1 1 38 38 LYS CA C 38 56.100 56.100 58.225 -2.125 18818 199 1 . 1 1 38 38 LYS CB C 38 32.700 32.700 31.474 1.226 18818 200 1 . 1 1 38 38 LYS H H 38 8.050 8.050 8.323 -0.273 18818 201 1 . 1 1 39 39 GLU N N 39 118.100 118.100 116.082 2.018 18818 202 1 . 1 1 39 39 GLU HA H 39 4.560 4.560 4.579 -0.019 18818 203 1 . 1 1 39 39 GLU C C 39 175.600 175.600 175.997 -0.397 18818 204 1 . 1 1 39 39 GLU CA C 39 56.800 56.800 56.991 -0.192 18818 205 1 . 1 1 39 39 GLU CB C 39 30.200 30.200 30.964 -0.764 18818 206 1 . 1 1 39 39 GLU H H 39 8.630 8.630 8.225 0.405 18818 207 1 . 1 1 40 40 THR N N 40 108.100 108.100 109.571 -1.471 18818 208 1 . 1 1 40 40 THR HA H 40 5.160 5.160 4.986 0.174 18818 209 1 . 1 1 40 40 THR C C 40 173.400 173.400 172.826 0.574 18818 210 1 . 1 1 40 40 THR CA C 40 59.300 59.300 59.996 -0.696 18818 211 1 . 1 1 40 40 THR CB C 40 72.100 72.100 71.809 0.291 18818 212 1 . 1 1 40 40 THR H H 40 7.490 7.490 7.786 -0.296 18818 213 1 . 1 1 41 41 LEU N N 41 120.700 120.700 121.615 -0.915 18818 214 1 . 1 1 41 41 LEU HA H 41 5.040 5.040 4.620 0.420 18818 215 1 . 1 1 41 41 LEU C C 41 177.000 177.000 175.586 1.414 18818 216 1 . 1 1 41 41 LEU CA C 41 53.300 53.300 53.645 -0.345 18818 217 1 . 1 1 41 41 LEU CB C 41 45.300 45.300 45.303 -0.003 18818 218 1 . 1 1 41 41 LEU H H 41 8.660 8.660 8.482 0.178 18818 219 1 . 1 1 42 42 THR N N 42 113.500 113.500 113.613 -0.113 18818 220 1 . 1 1 42 42 THR HA H 42 5.000 5.000 4.887 0.113 18818 221 1 . 1 1 42 42 THR C C 42 174.100 174.100 173.630 0.470 18818 222 1 . 1 1 42 42 THR CA C 42 59.800 59.800 58.998 0.802 18818 223 1 . 1 1 42 42 THR CB C 42 68.100 68.100 69.939 -1.839 18818 224 1 . 1 1 42 42 THR H H 42 9.130 9.130 8.430 0.700 18818 225 1 . 1 1 43 43 PRO HA H 43 4.150 4.150 4.196 -0.046 18818 226 1 . 1 1 43 43 PRO C C 43 178.600 178.600 178.657 -0.057 18818 227 1 . 1 1 43 43 PRO CA C 43 66.200 66.200 65.953 0.247 18818 228 1 . 1 1 43 43 PRO CB C 43 31.700 31.700 31.677 0.023 18818 229 1 . 1 1 44 44 SER N N 44 111.600 111.600 112.735 -1.135 18818 230 1 . 1 1 44 44 SER HA H 44 4.170 4.170 4.226 -0.056 18818 231 1 . 1 1 44 44 SER C C 44 176.200 176.200 176.278 -0.078 18818 232 1 . 1 1 44 44 SER CA C 44 61.500 61.500 61.817 -0.317 18818 233 1 . 1 1 44 44 SER CB C 44 62.200 62.200 62.895 -0.695 18818 234 1 . 1 1 44 44 SER H H 44 8.090 8.090 8.372 -0.282 18818 235 1 . 1 1 45 45 GLU N N 45 123.900 123.900 121.391 2.509 18818 236 1 . 1 1 45 45 GLU HA H 45 4.260 4.260 4.273 -0.013 18818 237 1 . 1 1 45 45 GLU C C 45 179.000 179.000 178.324 0.676 18818 238 1 . 1 1 45 45 GLU CA C 45 59.100 59.100 58.107 0.993 18818 239 1 . 1 1 45 45 GLU CB C 45 29.700 29.700 29.455 0.245 18818 240 1 . 1 1 45 45 GLU H H 45 7.700 7.700 7.785 -0.085 18818 241 1 . 1 1 46 46 LEU N N 46 118.900 118.900 122.787 -3.888 18818 242 1 . 1 1 46 46 LEU HA H 46 4.080 4.080 3.978 0.102 18818 243 1 . 1 1 46 46 LEU C C 46 177.600 177.600 178.675 -1.075 18818 244 1 . 1 1 46 46 LEU CA C 46 57.300 57.300 58.227 -0.927 18818 245 1 . 1 1 46 46 LEU CB C 46 40.900 40.900 41.901 -1.001 18818 246 1 . 1 1 46 46 LEU H H 46 8.400 8.400 8.404 -0.004 18818 247 1 . 1 1 47 47 ARG N N 47 119.300 119.300 117.274 2.026 18818 248 1 . 1 1 47 47 ARG HA H 47 3.770 3.770 3.941 -0.171 18818 249 1 . 1 1 47 47 ARG C C 47 178.900 178.900 178.377 0.523 18818 250 1 . 1 1 47 47 ARG CA C 47 60.000 60.000 59.458 0.542 18818 251 1 . 1 1 47 47 ARG CB C 47 29.000 29.000 29.710 -0.710 18818 252 1 . 1 1 47 47 ARG H H 47 8.260 8.260 8.070 0.190 18818 253 1 . 1 1 48 48 ASP N N 48 122.300 122.300 120.124 2.176 18818 254 1 . 1 1 48 48 ASP HA H 48 4.430 4.430 4.508 -0.078 18818 255 1 . 1 1 48 48 ASP C C 48 176.700 176.700 178.327 -1.627 18818 256 1 . 1 1 48 48 ASP CA C 48 57.500 57.500 57.290 0.210 18818 257 1 . 1 1 48 48 ASP CB C 48 39.400 39.400 41.207 -1.807 18818 258 1 . 1 1 48 48 ASP H H 48 8.160 8.160 7.714 0.446 18818 259 1 . 1 1 49 49 LEU N N 49 122.600 122.600 118.310 4.290 18818 260 1 . 1 1 49 49 LEU HA H 49 3.170 3.170 3.896 -0.726 18818 261 1 . 1 1 49 49 LEU C C 49 179.100 179.100 178.296 0.804 18818 262 1 . 1 1 49 49 LEU CA C 49 59.000 59.000 57.519 1.481 18818 263 1 . 1 1 49 49 LEU CB C 49 41.300 41.300 41.181 0.119 18818 264 1 . 1 1 49 49 LEU H H 49 7.980 7.980 7.938 0.042 18818 265 1 . 1 1 50 50 VAL N N 50 118.200 118.200 120.488 -2.288 18818 266 1 . 1 1 50 50 VAL HA H 50 3.550 3.550 3.598 -0.048 18818 267 1 . 1 1 50 50 VAL C C 50 178.800 178.800 178.215 0.585 18818 268 1 . 1 1 50 50 VAL CA C 50 66.400 66.400 67.011 -0.611 18818 269 1 . 1 1 50 50 VAL CB C 50 31.500 31.500 31.204 0.296 18818 270 1 . 1 1 50 50 VAL H H 50 8.390 8.390 7.861 0.529 18818 271 1 . 1 1 51 51 THR N N 51 115.000 115.000 113.415 1.585 18818 272 1 . 1 1 51 51 THR HA H 51 3.990 3.990 4.097 -0.107 18818 273 1 . 1 1 51 51 THR C C 51 176.000 176.000 176.012 -0.012 18818 274 1 . 1 1 51 51 THR CA C 51 65.800 65.800 65.044 0.757 18818 275 1 . 1 1 51 51 THR CB C 51 68.900 68.900 68.681 0.219 18818 276 1 . 1 1 51 51 THR H H 51 8.480 8.480 7.885 0.595 18818 277 1 . 1 1 52 52 GLN N N 52 116.400 116.400 118.696 -2.296 18818 278 1 . 1 1 52 52 GLN HA H 52 4.250 4.250 4.321 -0.071 18818 279 1 . 1 1 52 52 GLN C C 52 178.300 178.300 177.419 0.881 18818 280 1 . 1 1 52 52 GLN CA C 52 57.800 57.800 57.812 -0.012 18818 281 1 . 1 1 52 52 GLN CB C 52 28.500 28.500 29.442 -0.942 18818 282 1 . 1 1 52 52 GLN H H 52 8.180 8.180 7.841 0.339 18818 283 1 . 1 1 53 53 GLN N N 53 112.100 112.100 115.880 -3.780 18818 284 1 . 1 1 53 53 GLN HA H 53 4.850 4.850 4.509 0.341 18818 285 1 . 1 1 53 53 GLN C C 53 176.900 176.900 176.399 0.501 18818 286 1 . 1 1 53 53 GLN CA C 53 55.000 55.000 56.309 -1.309 18818 287 1 . 1 1 53 53 GLN CB C 53 28.400 28.400 30.863 -2.463 18818 288 1 . 1 1 53 53 GLN H H 53 8.490 8.490 8.042 0.448 18818 289 1 . 1 1 54 54 LEU N N 54 119.800 119.800 120.237 -0.437 18818 290 1 . 1 1 54 54 LEU HA H 54 5.250 5.250 4.890 0.360 18818 291 1 . 1 1 54 54 LEU C C 54 176.900 176.900 174.867 2.033 18818 292 1 . 1 1 54 54 LEU CA C 54 53.900 53.900 52.498 1.402 18818 293 1 . 1 1 54 54 LEU CB C 54 42.100 42.100 41.767 0.333 18818 294 1 . 1 1 54 54 LEU H H 54 7.920 7.920 7.734 0.186 18818 295 1 . 1 1 55 55 PRO HA H 55 4.470 4.470 4.338 0.132 18818 296 1 . 1 1 55 55 PRO C C 55 178.300 178.300 177.365 0.935 18818 297 1 . 1 1 55 55 PRO CA C 55 65.300 65.300 64.660 0.640 18818 298 1 . 1 1 55 55 PRO CB C 55 30.700 30.700 31.745 -1.045 18818 299 1 . 1 1 56 56 HIS N N 56 116.500 116.500 116.358 0.142 18818 300 1 . 1 1 56 56 HIS HA H 56 4.590 4.590 4.521 0.069 18818 301 1 . 1 1 56 56 HIS C C 56 176.300 176.300 176.397 -0.097 18818 302 1 . 1 1 56 56 HIS CA C 56 57.800 57.800 57.868 -0.068 18818 303 1 . 1 1 56 56 HIS CB C 56 28.300 28.300 29.426 -1.126 18818 304 1 . 1 1 56 56 HIS H H 56 9.770 9.770 8.177 1.593 18818 305 1 . 1 1 57 57 LEU N N 57 116.600 116.600 119.267 -2.667 18818 306 1 . 1 1 57 57 LEU HA H 57 4.330 4.330 4.327 0.003 18818 307 1 . 1 1 57 57 LEU C C 57 176.400 176.400 176.235 0.165 18818 308 1 . 1 1 57 57 LEU CA C 57 55.400 55.400 55.878 -0.478 18818 309 1 . 1 1 57 57 LEU CB C 57 42.500 42.500 42.619 -0.119 18818 310 1 . 1 1 57 57 LEU H H 57 7.830 7.830 7.923 -0.093 18818 311 1 . 1 1 58 58 MET N N 58 118.000 118.000 117.046 0.954 18818 312 1 . 1 1 58 58 MET HA H 58 4.540 4.540 4.851 -0.311 18818 313 1 . 1 1 58 58 MET C C 58 171.600 171.600 173.358 -1.758 18818 314 1 . 1 1 58 58 MET CA C 58 53.500 53.500 52.373 1.127 18818 315 1 . 1 1 58 58 MET CB C 58 32.700 32.700 33.552 -0.852 18818 316 1 . 1 1 58 58 MET H H 58 7.970 7.970 7.759 0.211 18818 317 1 . 1 1 59 59 PRO HA H 59 4.450 4.450 4.600 -0.150 18818 318 1 . 1 1 59 59 PRO C C 59 177.400 177.400 177.664 -0.264 18818 319 1 . 1 1 59 59 PRO CA C 59 63.100 63.100 62.339 0.761 18818 320 1 . 1 1 59 59 PRO CB C 59 31.900 31.900 32.684 -0.784 18818 321 1 . 1 1 60 60 SER N N 60 114.900 114.900 117.140 -2.240 18818 322 1 . 1 1 60 60 SER HA H 60 4.340 4.340 4.135 0.205 18818 323 1 . 1 1 60 60 SER C C 60 174.700 174.700 176.162 -1.462 18818 324 1 . 1 1 60 60 SER CA C 60 59.100 59.100 60.785 -1.685 18818 325 1 . 1 1 60 60 SER CB C 60 63.200 63.200 63.208 -0.008 18818 326 1 . 1 1 60 60 SER H H 60 8.360 8.360 8.734 -0.374 18818 327 1 . 1 1 61 61 ASN N N 61 120.800 120.800 119.509 1.291 18818 328 1 . 1 1 61 61 ASN HA H 61 4.810 4.810 4.489 0.321 18818 329 1 . 1 1 61 61 ASN C C 61 175.500 175.500 175.765 -0.265 18818 330 1 . 1 1 61 61 ASN CA C 61 53.000 53.000 55.387 -2.387 18818 331 1 . 1 1 61 61 ASN CB C 61 37.900 37.900 38.066 -0.166 18818 332 1 . 1 1 61 61 ASN H H 61 7.990 7.990 8.539 -0.549 18818 333 1 . 1 1 62 62 CYS N N 62 117.800 117.800 117.317 0.483 18818 334 1 . 1 1 62 62 CYS HA H 62 4.590 4.590 4.458 0.132 18818 335 1 . 1 1 62 62 CYS C C 62 175.300 175.300 175.354 -0.054 18818 336 1 . 1 1 62 62 CYS CA C 62 59.200 59.200 60.274 -1.074 18818 337 1 . 1 1 62 62 CYS CB C 62 27.400 27.400 28.588 -1.188 18818 338 1 . 1 1 62 62 CYS H H 62 8.260 8.260 7.804 0.456 18818 339 1 . 1 1 63 63 GLY N N 63 111.300 111.300 109.132 2.168 18818 340 1 . 1 1 63 63 GLY C C 63 175.600 175.600 175.190 0.410 18818 341 1 . 1 1 63 63 GLY CA C 63 46.300 46.300 45.826 0.474 18818 342 1 . 1 1 63 63 GLY H H 63 8.520 8.520 8.042 0.478 18818 343 1 . 1 1 64 64 LEU N N 64 122.400 122.400 120.182 2.218 18818 344 1 . 1 1 64 64 LEU HA H 64 4.050 4.050 4.287 -0.237 18818 345 1 . 1 1 64 64 LEU C C 64 177.900 177.900 178.070 -0.170 18818 346 1 . 1 1 64 64 LEU CA C 64 57.600 57.600 56.391 1.208 18818 347 1 . 1 1 64 64 LEU CB C 64 42.000 42.000 41.493 0.507 18818 348 1 . 1 1 64 64 LEU H H 64 7.910 7.910 8.015 -0.105 18818 349 1 . 1 1 65 65 GLU N N 65 117.900 117.900 118.996 -1.096 18818 350 1 . 1 1 65 65 GLU HA H 65 3.910 3.910 3.966 -0.056 18818 351 1 . 1 1 65 65 GLU C C 65 179.100 179.100 177.890 1.210 18818 352 1 . 1 1 65 65 GLU CA C 65 60.000 60.000 58.536 1.464 18818 353 1 . 1 1 65 65 GLU CB C 65 28.400 28.400 28.741 -0.341 18818 354 1 . 1 1 65 65 GLU H H 65 8.660 8.660 8.292 0.368 18818 355 1 . 1 1 66 66 GLU N N 66 120.000 120.000 120.006 -0.006 18818 356 1 . 1 1 66 66 GLU HA H 66 4.120 4.120 4.045 0.075 18818 357 1 . 1 1 66 66 GLU C C 66 178.200 178.200 178.505 -0.305 18818 358 1 . 1 1 66 66 GLU CA C 66 59.100 59.100 59.018 0.082 18818 359 1 . 1 1 66 66 GLU CB C 66 29.100 29.100 29.260 -0.160 18818 360 1 . 1 1 66 66 GLU H H 66 8.220 8.220 8.145 0.075 18818 361 1 . 1 1 67 67 LYS N N 67 119.300 119.300 117.838 1.462 18818 362 1 . 1 1 67 67 LYS HA H 67 4.140 4.140 4.141 -0.001 18818 363 1 . 1 1 67 67 LYS C C 67 179.400 179.400 178.596 0.804 18818 364 1 . 1 1 67 67 LYS CA C 67 58.900 58.900 57.741 1.159 18818 365 1 . 1 1 67 67 LYS CB C 67 32.100 32.100 31.961 0.139 18818 366 1 . 1 1 67 67 LYS H H 67 7.780 7.780 7.781 -0.001 18818 367 1 . 1 1 68 68 ILE N N 68 118.400 118.400 119.741 -1.341 18818 368 1 . 1 1 68 68 ILE HA H 68 3.720 3.720 3.804 -0.084 18818 369 1 . 1 1 68 68 ILE C C 68 177.800 177.800 177.435 0.365 18818 370 1 . 1 1 68 68 ILE CA C 68 64.500 64.500 64.145 0.355 18818 371 1 . 1 1 68 68 ILE CB C 68 37.300 37.300 37.812 -0.512 18818 372 1 . 1 1 68 68 ILE H H 68 8.230 8.230 7.435 0.795 18818 373 1 . 1 1 69 69 ALA N N 69 122.900 122.900 121.303 1.596 18818 374 1 . 1 1 69 69 ALA HA H 69 4.220 4.220 4.046 0.174 18818 375 1 . 1 1 69 69 ALA C C 69 179.600 179.600 178.980 0.620 18818 376 1 . 1 1 69 69 ALA CA C 69 54.400 54.400 54.827 -0.427 18818 377 1 . 1 1 69 69 ALA CB C 69 17.900 17.900 18.301 -0.401 18818 378 1 . 1 1 69 69 ALA H H 69 8.070 8.070 8.093 -0.023 18818 379 1 . 1 1 70 70 ASN N N 70 115.400 115.400 116.161 -0.761 18818 380 1 . 1 1 70 70 ASN HA H 70 4.870 4.870 4.611 0.259 18818 381 1 . 1 1 70 70 ASN C C 70 176.500 176.500 177.163 -0.663 18818 382 1 . 1 1 70 70 ASN CA C 70 54.300 54.300 55.097 -0.797 18818 383 1 . 1 1 70 70 ASN CB C 70 38.700 38.700 39.084 -0.385 18818 384 1 . 1 1 70 70 ASN H H 70 7.880 7.880 7.913 -0.033 18818 385 1 . 1 1 71 71 LEU N N 71 120.600 120.600 116.757 3.843 18818 386 1 . 1 1 71 71 LEU HA H 71 4.330 4.330 4.474 -0.144 18818 387 1 . 1 1 71 71 LEU C C 71 178.300 178.300 177.768 0.532 18818 388 1 . 1 1 71 71 LEU CA C 71 56.300 56.300 55.499 0.801 18818 389 1 . 1 1 71 71 LEU CB C 71 42.300 42.300 41.828 0.472 18818 390 1 . 1 1 71 71 LEU H H 71 7.820 7.820 7.603 0.217 18818 391 1 . 1 1 72 72 GLY N N 72 106.800 106.800 107.884 -1.084 18818 392 1 . 1 1 72 72 GLY C C 72 174.400 174.400 174.928 -0.528 18818 393 1 . 1 1 72 72 GLY CA C 72 45.700 45.700 45.351 0.349 18818 394 1 . 1 1 72 72 GLY H H 72 8.240 8.240 7.933 0.307 18818 395 1 . 1 1 73 73 SER N N 73 115.600 115.600 116.647 -1.047 18818 396 1 . 1 1 73 73 SER HA H 73 4.570 4.570 4.427 0.143 18818 397 1 . 1 1 73 73 SER C C 73 175.000 175.000 174.817 0.183 18818 398 1 . 1 1 73 73 SER CA C 73 58.900 58.900 59.353 -0.453 18818 399 1 . 1 1 73 73 SER CB C 73 63.600 63.600 63.685 -0.085 18818 400 1 . 1 1 73 73 SER H H 73 8.220 8.220 8.378 -0.158 18818 401 1 . 1 1 74 74 CYS N N 74 119.300 119.300 120.522 -1.222 18818 402 1 . 1 1 74 74 CYS HA H 74 4.650 4.650 4.540 0.110 18818 403 1 . 1 1 74 74 CYS C C 74 174.500 174.500 174.162 0.338 18818 404 1 . 1 1 74 74 CYS CA C 74 58.700 58.700 58.651 0.049 18818 405 1 . 1 1 74 74 CYS CB C 74 27.700 27.700 28.403 -0.703 18818 406 1 . 1 1 74 74 CYS H H 74 8.260 8.260 8.114 0.146 18818 407 1 . 1 1 75 75 ASN N N 75 120.000 120.000 120.938 -0.938 18818 408 1 . 1 1 75 75 ASN HA H 75 4.840 4.840 4.701 0.139 18818 409 1 . 1 1 75 75 ASN C C 75 174.700 174.700 175.462 -0.762 18818 410 1 . 1 1 75 75 ASN CA C 75 53.800 53.800 54.045 -0.245 18818 411 1 . 1 1 75 75 ASN CB C 75 38.900 38.900 39.398 -0.498 18818 412 1 . 1 1 75 75 ASN H H 75 8.430 8.430 8.352 0.078 18818 413 1 . 1 1 76 76 ASP N N 76 119.200 119.200 121.513 -2.313 18818 414 1 . 1 1 76 76 ASP HA H 76 4.670 4.670 4.586 0.084 18818 415 1 . 1 1 76 76 ASP C C 76 175.500 175.500 177.087 -1.587 18818 416 1 . 1 1 76 76 ASP CA C 76 54.400 54.400 55.854 -1.454 18818 417 1 . 1 1 76 76 ASP CB C 76 40.600 40.600 41.118 -0.518 18818 418 1 . 1 1 76 76 ASP H H 76 8.300 8.300 8.651 -0.351 18818 419 1 . 1 1 77 77 SER N N 77 112.800 112.800 114.075 -1.275 18818 420 1 . 1 1 77 77 SER HA H 77 4.260 4.260 4.466 -0.206 18818 421 1 . 1 1 77 77 SER C C 77 173.300 173.300 174.169 -0.869 18818 422 1 . 1 1 77 77 SER CA C 77 59.000 59.000 58.655 0.345 18818 423 1 . 1 1 77 77 SER CB C 77 63.100 63.100 63.652 -0.552 18818 424 1 . 1 1 77 77 SER H H 77 8.220 8.220 8.047 0.173 18818 425 1 . 1 1 78 78 LYS N N 78 120.600 120.600 118.475 2.125 18818 426 1 . 1 1 78 78 LYS HA H 78 4.560 4.560 4.041 0.519 18818 427 1 . 1 1 78 78 LYS C C 78 175.300 175.300 175.734 -0.434 18818 428 1 . 1 1 78 78 LYS CA C 78 55.600 55.600 57.232 -1.632 18818 429 1 . 1 1 78 78 LYS CB C 78 33.300 33.300 31.775 1.525 18818 430 1 . 1 1 78 78 LYS H H 78 7.930 7.930 7.730 0.200 18818 431 1 . 1 1 79 79 LEU N N 79 123.700 123.700 121.164 2.536 18818 432 1 . 1 1 79 79 LEU HA H 79 4.780 4.780 4.495 0.285 18818 433 1 . 1 1 79 79 LEU C C 79 176.100 176.100 176.659 -0.559 18818 434 1 . 1 1 79 79 LEU CA C 79 54.200 54.200 54.690 -0.490 18818 435 1 . 1 1 79 79 LEU CB C 79 42.000 42.000 43.004 -1.004 18818 436 1 . 1 1 79 79 LEU H H 79 9.020 9.020 8.405 0.615 18818 437 1 . 1 1 80 80 GLU N N 80 121.200 121.200 119.291 1.909 18818 438 1 . 1 1 80 80 GLU HA H 80 4.900 4.900 4.823 0.077 18818 439 1 . 1 1 80 80 GLU C C 80 177.100 177.100 177.132 -0.032 18818 440 1 . 1 1 80 80 GLU CA C 80 55.200 55.200 55.018 0.182 18818 441 1 . 1 1 80 80 GLU CB C 80 31.600 31.600 32.238 -0.638 18818 442 1 . 1 1 80 80 GLU H H 80 8.630 8.630 8.176 0.454 18818 443 1 . 1 1 81 81 PHE N N 81 123.500 123.500 123.092 0.408 18818 444 1 . 1 1 81 81 PHE HA H 81 3.530 3.530 3.302 0.228 18818 445 1 . 1 1 81 81 PHE C C 81 177.000 177.000 176.756 0.244 18818 446 1 . 1 1 81 81 PHE CA C 81 62.300 62.300 62.332 -0.032 18818 447 1 . 1 1 81 81 PHE CB C 81 38.500 38.500 39.128 -0.628 18818 448 1 . 1 1 81 81 PHE H H 81 9.360 9.360 8.834 0.526 18818 449 1 . 1 1 82 82 ARG N N 82 116.500 116.500 118.338 -1.838 18818 450 1 . 1 1 82 82 ARG HA H 82 4.040 4.040 4.040 0.000 18818 451 1 . 1 1 82 82 ARG C C 82 178.000 178.000 178.171 -0.171 18818 452 1 . 1 1 82 82 ARG CA C 82 59.200 59.200 58.975 0.225 18818 453 1 . 1 1 82 82 ARG CB C 82 29.200 29.200 29.488 -0.288 18818 454 1 . 1 1 82 82 ARG H H 82 8.940 8.940 8.752 0.188 18818 455 1 . 1 1 83 83 SER N N 83 115.700 115.700 114.950 0.750 18818 456 1 . 1 1 83 83 SER HA H 83 4.510 4.510 4.339 0.171 18818 457 1 . 1 1 83 83 SER C C 83 175.800 175.800 176.390 -0.590 18818 458 1 . 1 1 83 83 SER CA C 83 61.700 61.700 61.176 0.524 18818 459 1 . 1 1 83 83 SER CB C 83 62.700 62.700 63.063 -0.363 18818 460 1 . 1 1 83 83 SER H H 83 7.610 7.610 7.863 -0.253 18818 461 1 . 1 1 84 84 PHE N N 84 122.200 122.200 123.461 -1.261 18818 462 1 . 1 1 84 84 PHE HA H 84 4.220 4.220 4.254 -0.034 18818 463 1 . 1 1 84 84 PHE C C 84 175.000 175.000 176.538 -1.538 18818 464 1 . 1 1 84 84 PHE CA C 84 60.000 60.000 61.114 -1.115 18818 465 1 . 1 1 84 84 PHE CB C 84 39.200 39.200 39.409 -0.209 18818 466 1 . 1 1 84 84 PHE H H 84 7.490 7.490 7.747 -0.257 18818 467 1 . 1 1 85 85 TRP N N 85 120.700 120.700 120.206 0.494 18818 468 1 . 1 1 85 85 TRP HA H 85 3.760 3.760 4.112 -0.351 18818 469 1 . 1 1 85 85 TRP CA C 85 59.800 59.800 60.658 -0.858 18818 470 1 . 1 1 85 85 TRP CB C 85 29.200 29.200 29.570 -0.370 18818 471 1 . 1 1 85 85 TRP H H 85 8.770 8.770 8.153 0.617 18818 472 1 . 1 1 86 86 GLU N N 86 119.100 119.100 117.442 1.658 18818 473 1 . 1 1 86 86 GLU HA H 86 4.080 4.080 3.911 0.169 18818 474 1 . 1 1 86 86 GLU C C 86 179.100 179.100 178.791 0.309 18818 475 1 . 1 1 86 86 GLU CA C 86 59.300 59.300 59.287 0.012 18818 476 1 . 1 1 86 86 GLU CB C 86 29.500 29.500 29.122 0.378 18818 477 1 . 1 1 86 86 GLU H H 86 8.150 8.150 8.196 -0.046 18818 478 1 . 1 1 87 87 LEU N N 87 120.800 120.800 119.436 1.364 18818 479 1 . 1 1 87 87 LEU HA H 87 4.050 4.050 4.061 -0.011 18818 480 1 . 1 1 87 87 LEU C C 87 178.900 178.900 178.353 0.547 18818 481 1 . 1 1 87 87 LEU CA C 87 57.900 57.900 56.949 0.951 18818 482 1 . 1 1 87 87 LEU CB C 87 41.300 41.300 42.055 -0.755 18818 483 1 . 1 1 87 87 LEU H H 87 7.600 7.600 7.383 0.217 18818 484 1 . 1 1 88 88 ILE N N 88 115.200 115.200 119.739 -4.539 18818 485 1 . 1 1 88 88 ILE HA H 88 3.580 3.580 3.410 0.170 18818 486 1 . 1 1 88 88 ILE C C 88 177.300 177.300 177.511 -0.211 18818 487 1 . 1 1 88 88 ILE CA C 88 63.000 63.000 65.018 -2.018 18818 488 1 . 1 1 88 88 ILE CB C 88 35.600 35.600 36.866 -1.266 18818 489 1 . 1 1 88 88 ILE H H 88 7.960 7.960 7.316 0.644 18818 490 1 . 1 1 89 89 GLY N N 89 108.100 108.100 107.246 0.854 18818 491 1 . 1 1 89 89 GLY C C 89 175.700 175.700 175.176 0.524 18818 492 1 . 1 1 89 89 GLY CA C 89 45.400 45.400 46.943 -1.543 18818 493 1 . 1 1 89 89 GLY H H 89 7.620 7.620 7.814 -0.194 18818 494 1 . 1 1 90 90 GLU N N 90 120.000 120.000 121.117 -1.117 18818 495 1 . 1 1 90 90 GLU HA H 90 3.960 3.960 4.130 -0.170 18818 496 1 . 1 1 90 90 GLU C C 90 179.100 179.100 178.711 0.389 18818 497 1 . 1 1 90 90 GLU CA C 90 58.200 58.200 57.861 0.340 18818 498 1 . 1 1 90 90 GLU CB C 90 28.800 28.800 29.522 -0.722 18818 499 1 . 1 1 90 90 GLU H H 90 7.410 7.410 7.486 -0.076 18818 500 1 . 1 1 91 91 ALA N N 91 122.400 122.400 123.042 -0.642 18818 501 1 . 1 1 91 91 ALA HA H 91 4.020 4.020 3.966 0.054 18818 502 1 . 1 1 91 91 ALA C C 91 178.700 178.700 179.181 -0.481 18818 503 1 . 1 1 91 91 ALA CA C 91 54.000 54.000 54.843 -0.843 18818 504 1 . 1 1 91 91 ALA CB C 91 18.000 18.000 18.237 -0.237 18818 505 1 . 1 1 91 91 ALA H H 91 7.610 7.610 7.764 -0.154 18818 506 1 . 1 1 92 92 ALA N N 92 118.000 118.000 118.302 -0.302 18818 507 1 . 1 1 92 92 ALA HA H 92 3.670 3.670 4.232 -0.562 18818 508 1 . 1 1 92 92 ALA C C 92 177.900 177.900 178.587 -0.687 18818 509 1 . 1 1 92 92 ALA CA C 92 53.900 53.900 53.702 0.198 18818 510 1 . 1 1 92 92 ALA CB C 92 17.900 17.900 18.377 -0.477 18818 511 1 . 1 1 92 92 ALA H H 92 7.740 7.740 7.973 -0.233 18818 512 1 . 1 1 93 93 LYS N N 93 114.600 114.600 117.234 -2.634 18818 513 1 . 1 1 93 93 LYS HA H 93 3.770 3.770 4.186 -0.416 18818 514 1 . 1 1 93 93 LYS C C 93 177.000 177.000 177.574 -0.574 18818 515 1 . 1 1 93 93 LYS CA C 93 57.500 57.500 57.711 -0.211 18818 516 1 . 1 1 93 93 LYS CB C 93 31.800 31.800 32.374 -0.574 18818 517 1 . 1 1 93 93 LYS H H 93 7.200 7.200 7.656 -0.456 18818 518 1 . 1 1 94 94 SER N N 94 113.000 113.000 113.401 -0.401 18818 519 1 . 1 1 94 94 SER HA H 94 4.450 4.450 4.449 0.001 18818 520 1 . 1 1 94 94 SER C C 94 174.500 174.500 174.394 0.106 18818 521 1 . 1 1 94 94 SER CA C 94 58.800 58.800 59.438 -0.638 18818 522 1 . 1 1 94 94 SER CB C 94 63.900 63.900 64.597 -0.697 18818 523 1 . 1 1 94 94 SER H H 94 7.530 7.530 7.760 -0.230 18818 524 1 . 1 1 95 95 VAL N N 95 122.100 122.100 120.691 1.409 18818 525 1 . 1 1 95 95 VAL HA H 95 3.940 3.940 4.238 -0.298 18818 526 1 . 1 1 95 95 VAL C C 95 175.400 175.400 173.719 1.681 18818 527 1 . 1 1 95 95 VAL CA C 95 63.200 63.200 61.751 1.449 18818 528 1 . 1 1 95 95 VAL CB C 95 31.500 31.500 32.899 -1.399 18818 529 1 . 1 1 95 95 VAL H H 95 7.440 7.440 7.607 -0.167 18818 530 1 . 1 1 96 96 LYS N N 96 126.300 126.300 125.990 0.310 18818 531 1 . 1 1 96 96 LYS HA H 96 4.400 4.400 4.582 -0.182 18818 532 1 . 1 1 96 96 LYS C C 96 176.000 176.000 175.473 0.527 18818 533 1 . 1 1 96 96 LYS CA C 96 55.500 55.500 54.929 0.571 18818 534 1 . 1 1 96 96 LYS CB C 96 32.500 32.500 34.624 -2.124 18818 535 1 . 1 1 96 96 LYS H H 96 8.470 8.470 8.204 0.266 18818 536 1 . 1 1 97 97 LEU N N 97 123.400 123.400 123.252 0.148 18818 537 1 . 1 1 97 97 LEU HA H 97 4.410 4.410 4.336 0.074 18818 538 1 . 1 1 97 97 LEU C C 97 176.700 176.700 177.270 -0.570 18818 539 1 . 1 1 97 97 LEU CA C 97 54.400 54.400 55.291 -0.891 18818 540 1 . 1 1 97 97 LEU CB C 97 42.300 42.300 42.033 0.267 18818 541 1 . 1 1 97 97 LEU H H 97 8.140 8.140 8.380 -0.240 18818 542 1 . 1 1 98 98 GLU N N 98 121.400 121.400 123.383 -1.983 18818 543 1 . 1 1 98 98 GLU HA H 98 4.340 4.340 4.197 0.143 18818 544 1 . 1 1 98 98 GLU C C 98 175.900 175.900 175.939 -0.039 18818 545 1 . 1 1 98 98 GLU CA C 98 56.200 56.200 57.034 -0.834 18818 546 1 . 1 1 98 98 GLU CB C 98 30.100 30.100 29.429 0.671 18818 547 1 . 1 1 98 98 GLU H H 98 8.320 8.320 8.632 -0.312 18818 548 1 . 1 1 99 99 ARG N N 99 122.800 122.800 121.579 1.221 18818 549 1 . 1 1 99 99 ARG HA H 99 4.810 4.810 4.563 0.247 18818 550 1 . 1 1 99 99 ARG C C 99 173.900 173.900 174.397 -0.497 18818 551 1 . 1 1 99 99 ARG CA C 99 53.600 53.600 54.051 -0.451 18818 552 1 . 1 1 99 99 ARG CB C 99 29.900 29.900 29.981 -0.081 18818 553 1 . 1 1 99 99 ARG H H 99 8.280 8.280 8.019 0.261 18818 554 1 . 1 1 100 100 PRO HA H 100 4.520 4.520 4.475 0.044 18818 555 1 . 1 1 100 100 PRO C C 100 176.700 176.700 176.134 0.566 18818 556 1 . 1 1 100 100 PRO CA C 100 62.800 62.800 62.947 -0.147 18818 557 1 . 1 1 100 100 PRO CB C 100 31.700 31.700 32.073 -0.373 18818 558 1 . 1 1 101 101 VAL N N 101 120.500 120.500 120.747 -0.247 18818 559 1 . 1 1 101 101 VAL HA H 101 4.130 4.130 4.225 -0.095 18818 560 1 . 1 1 101 101 VAL C C 101 176.000 176.000 175.925 0.075 18818 561 1 . 1 1 101 101 VAL CA C 101 62.100 62.100 61.960 0.140 18818 562 1 . 1 1 101 101 VAL CB C 101 32.200 32.200 33.521 -1.321 18818 563 1 . 1 1 101 101 VAL H H 101 8.230 8.230 8.162 0.068 18818 564 1 . 1 1 102 102 ARG N N 102 124.600 124.600 125.434 -0.834 18818 565 1 . 1 1 102 102 ARG HA H 102 4.420 4.420 4.404 0.016 18818 566 1 . 1 1 102 102 ARG C C 102 176.400 176.400 176.235 0.165 18818 567 1 . 1 1 102 102 ARG CA C 102 55.900 55.900 56.315 -0.415 18818 568 1 . 1 1 102 102 ARG CB C 102 30.700 30.700 30.593 0.107 18818 569 1 . 1 1 102 102 ARG H H 102 8.390 8.390 8.727 -0.337 18818 570 1 . 1 1 103 103 GLY N N 103 110.400 110.400 108.614 1.786 18818 571 1 . 1 1 103 103 GLY C C 103 172.900 172.900 173.514 -0.614 18818 572 1 . 1 1 103 103 GLY CA C 103 45.000 45.000 44.831 0.169 18818 573 1 . 1 1 103 103 GLY H H 103 8.400 8.400 8.153 0.247 18818 stop_ save_