data_17577 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17577 _Entry.PDB_ID 2LBV 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 17577 _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 4 4 PRO C C 4 175.800 175.800 177.991 -2.191 17577 2 1 1 . 1 1 4 4 PRO CA C 4 64.300 64.300 65.132 -0.832 17577 3 1 1 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.643 1.357 17577 4 1 1 . 1 1 5 5 ASP N N 5 119.400 119.400 117.528 1.872 17577 5 1 1 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.270 0.240 17577 6 1 1 . 1 1 5 5 ASP C C 5 177.100 177.100 178.016 -0.916 17577 7 1 1 . 1 1 5 5 ASP CA C 5 54.800 54.800 57.527 -2.727 17577 8 1 1 . 1 1 5 5 ASP CB C 5 42.400 42.400 39.995 2.405 17577 9 1 1 . 1 1 5 5 ASP H H 5 8.090 8.090 8.586 -0.496 17577 10 1 1 . 1 1 6 6 ARG N N 6 124.800 124.800 120.275 4.525 17577 11 1 1 . 1 1 6 6 ARG C C 6 177.300 177.300 178.206 -0.906 17577 12 1 1 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.995 0.005 17577 13 1 1 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.904 0.596 17577 14 1 1 . 1 1 6 6 ARG H H 6 8.590 8.590 8.227 0.363 17577 15 1 1 . 1 1 7 7 SER N N 7 113.800 113.800 113.952 -0.152 17577 16 1 1 . 1 1 7 7 SER CA C 7 62.400 62.400 61.339 1.062 17577 17 1 1 . 1 1 7 7 SER CB C 7 63.800 63.800 62.310 1.490 17577 18 1 1 . 1 1 7 7 SER H H 7 8.240 8.240 7.848 0.392 17577 19 1 1 . 1 1 8 8 GLU N N 8 120.200 120.200 120.743 -0.543 17577 20 1 1 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.041 0.289 17577 21 1 1 . 1 1 8 8 GLU C C 8 177.100 177.100 178.550 -1.450 17577 22 1 1 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.433 0.267 17577 23 1 1 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.750 1.150 17577 24 1 1 . 1 1 8 8 GLU H H 8 8.030 8.030 7.423 0.607 17577 25 1 1 . 1 1 9 9 ILE N N 9 112.800 112.800 118.270 -5.470 17577 26 1 1 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.665 0.685 17577 27 1 1 . 1 1 9 9 ILE C C 9 175.000 175.000 175.221 -0.221 17577 28 1 1 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.874 2.526 17577 29 1 1 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.266 2.734 17577 30 1 1 . 1 1 9 9 ILE H H 9 7.530 7.530 7.415 0.115 17577 31 1 1 . 1 1 10 10 ALA N N 10 120.400 120.400 121.917 -1.517 17577 32 1 1 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.622 -0.552 17577 33 1 1 . 1 1 10 10 ALA C C 10 177.500 177.500 177.410 0.090 17577 34 1 1 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.046 -0.046 17577 35 1 1 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.049 1.351 17577 36 1 1 . 1 1 10 10 ALA H H 10 7.410 7.410 8.189 -0.779 17577 37 1 1 . 1 1 11 11 GLY N N 11 108.300 108.300 110.718 -2.418 17577 38 1 1 . 1 1 11 11 GLY C C 11 173.700 173.700 173.655 0.045 17577 39 1 1 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.958 0.342 17577 40 1 1 . 1 1 11 11 GLY H H 11 8.780 8.780 8.679 0.101 17577 41 1 1 . 1 1 12 12 LYS N N 12 122.300 122.300 121.047 1.253 17577 42 1 1 . 1 1 12 12 LYS HA H 12 4.830 4.830 5.081 -0.251 17577 43 1 1 . 1 1 12 12 LYS C C 12 175.900 175.900 174.300 1.600 17577 44 1 1 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.327 1.973 17577 45 1 1 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.750 0.250 17577 46 1 1 . 1 1 12 12 LYS H H 12 8.740 8.740 7.739 1.001 17577 47 1 1 . 1 1 13 13 TRP N N 13 126.000 126.000 126.519 -0.519 17577 48 1 1 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.054 -0.424 17577 49 1 1 . 1 1 13 13 TRP C C 13 173.300 173.300 174.699 -1.399 17577 50 1 1 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.433 1.267 17577 51 1 1 . 1 1 13 13 TRP CB C 13 35.400 35.400 32.121 3.279 17577 52 1 1 . 1 1 13 13 TRP H H 13 9.440 9.440 9.712 -0.272 17577 53 1 1 . 1 1 14 14 TYR N N 14 118.300 118.300 122.433 -4.133 17577 54 1 1 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.120 -0.070 17577 55 1 1 . 1 1 14 14 TYR C C 14 175.400 175.400 175.096 0.304 17577 56 1 1 . 1 1 14 14 TYR CA C 14 58.800 58.800 56.549 2.251 17577 57 1 1 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.627 0.873 17577 58 1 1 . 1 1 14 14 TYR H H 14 9.370 9.370 9.102 0.268 17577 59 1 1 . 1 1 15 15 VAL N N 15 124.200 124.200 123.036 1.164 17577 60 1 1 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.593 0.447 17577 61 1 1 . 1 1 15 15 VAL C C 15 175.500 175.500 175.198 0.302 17577 62 1 1 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.576 1.124 17577 63 1 1 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.536 -0.136 17577 64 1 1 . 1 1 15 15 VAL H H 15 9.000 9.000 8.473 0.527 17577 65 1 1 . 1 1 16 16 VAL N N 16 114.600 114.600 121.560 -6.960 17577 66 1 1 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.554 0.096 17577 67 1 1 . 1 1 16 16 VAL C C 16 175.900 175.900 173.904 1.996 17577 68 1 1 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.599 1.601 17577 69 1 1 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.224 0.376 17577 70 1 1 . 1 1 16 16 VAL H H 16 8.420 8.420 8.980 -0.560 17577 71 1 1 . 1 1 17 17 ALA N N 17 122.900 122.900 121.209 1.691 17577 72 1 1 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.079 0.191 17577 73 1 1 . 1 1 17 17 ALA C C 17 174.200 174.200 174.878 -0.678 17577 74 1 1 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.299 0.801 17577 75 1 1 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.278 2.822 17577 76 1 1 . 1 1 17 17 ALA H H 17 7.590 7.590 7.323 0.267 17577 77 1 1 . 1 1 18 18 LEU N N 18 118.000 118.000 118.413 -0.413 17577 78 1 1 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.838 -0.398 17577 79 1 1 . 1 1 18 18 LEU C C 18 176.100 176.100 175.277 0.823 17577 80 1 1 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.080 1.920 17577 81 1 1 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.594 4.206 17577 82 1 1 . 1 1 18 18 LEU H H 18 8.570 8.570 8.189 0.381 17577 83 1 1 . 1 1 19 19 ALA N N 19 120.300 120.300 119.974 0.326 17577 84 1 1 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.598 -0.168 17577 85 1 1 . 1 1 19 19 ALA C C 19 174.400 174.400 176.110 -1.710 17577 86 1 1 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.322 1.378 17577 87 1 1 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.475 0.625 17577 88 1 1 . 1 1 19 19 ALA H H 19 8.360 8.360 8.901 -0.541 17577 89 1 1 . 1 1 20 20 SER N N 20 114.200 114.200 116.812 -2.612 17577 90 1 1 . 1 1 20 20 SER HA H 20 3.890 3.890 4.858 -0.968 17577 91 1 1 . 1 1 20 20 SER C C 20 170.700 170.700 172.339 -1.639 17577 92 1 1 . 1 1 20 20 SER CA C 20 57.200 57.200 57.662 -0.462 17577 93 1 1 . 1 1 20 20 SER CB C 20 64.200 64.200 64.518 -0.318 17577 94 1 1 . 1 1 20 20 SER H H 20 7.450 7.450 8.945 -1.495 17577 95 1 1 . 1 1 21 21 ASN N N 21 117.500 117.500 116.985 0.515 17577 96 1 1 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.712 0.508 17577 97 1 1 . 1 1 21 21 ASN C C 21 176.500 176.500 174.847 1.653 17577 98 1 1 . 1 1 21 21 ASN CA C 21 52.500 52.500 52.962 -0.462 17577 99 1 1 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.484 -0.184 17577 100 1 1 . 1 1 21 21 ASN H H 21 7.980 7.980 8.577 -0.597 17577 101 1 1 . 1 1 22 22 THR N N 22 112.100 112.100 117.939 -5.839 17577 102 1 1 . 1 1 22 22 THR HA H 22 4.420 4.420 3.787 0.633 17577 103 1 1 . 1 1 22 22 THR C C 22 174.800 174.800 174.711 0.089 17577 104 1 1 . 1 1 22 22 THR CA C 22 63.200 63.200 62.022 1.178 17577 105 1 1 . 1 1 22 22 THR CB C 22 71.800 71.800 68.570 3.230 17577 106 1 1 . 1 1 22 22 THR H H 22 8.140 8.140 7.701 0.439 17577 107 1 1 . 1 1 23 23 GLU N N 23 122.700 122.700 129.547 -6.847 17577 108 1 1 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.811 0.939 17577 109 1 1 . 1 1 23 23 GLU C C 23 178.800 178.800 178.272 0.528 17577 110 1 1 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.540 1.760 17577 111 1 1 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.032 1.268 17577 112 1 1 . 1 1 23 23 GLU H H 23 8.980 8.980 8.440 0.540 17577 113 1 1 . 1 1 24 24 PHE N N 24 118.200 118.200 117.906 0.294 17577 114 1 1 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.137 -0.157 17577 115 1 1 . 1 1 24 24 PHE C C 24 175.900 175.900 177.948 -2.048 17577 116 1 1 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.437 2.463 17577 117 1 1 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.032 3.668 17577 118 1 1 . 1 1 24 24 PHE H H 24 8.610 8.610 6.639 1.971 17577 119 1 1 . 1 1 25 25 PHE N N 25 119.000 119.000 116.574 2.426 17577 120 1 1 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.489 -0.649 17577 121 1 1 . 1 1 25 25 PHE C C 25 176.500 176.500 177.897 -1.397 17577 122 1 1 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.778 5.022 17577 123 1 1 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.906 2.494 17577 124 1 1 . 1 1 25 25 PHE H H 25 7.730 7.730 7.030 0.700 17577 125 1 1 . 1 1 26 26 LEU N N 26 115.900 115.900 122.003 -6.103 17577 126 1 1 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.041 -0.311 17577 127 1 1 . 1 1 26 26 LEU C C 26 179.200 179.200 178.413 0.787 17577 128 1 1 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.890 0.810 17577 129 1 1 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.734 0.266 17577 130 1 1 . 1 1 26 26 LEU H H 26 8.380 8.380 8.889 -0.509 17577 131 1 1 . 1 1 27 27 ARG N N 27 116.900 116.900 119.012 -2.112 17577 132 1 1 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.991 0.119 17577 133 1 1 . 1 1 27 27 ARG C C 27 178.400 178.400 177.835 0.565 17577 134 1 1 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.109 0.090 17577 135 1 1 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.143 1.957 17577 136 1 1 . 1 1 27 27 ARG H H 27 7.720 7.720 8.474 -0.754 17577 137 1 1 . 1 1 28 28 GLU N N 28 116.000 116.000 117.551 -1.551 17577 138 1 1 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.313 0.047 17577 139 1 1 . 1 1 28 28 GLU C C 28 178.200 178.200 178.967 -0.767 17577 140 1 1 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.666 -1.966 17577 141 1 1 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.142 0.758 17577 142 1 1 . 1 1 28 28 GLU H H 28 7.660 7.660 7.658 0.002 17577 143 1 1 . 1 1 29 29 LYS N N 29 120.700 120.700 120.400 0.300 17577 144 1 1 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.098 0.042 17577 145 1 1 . 1 1 29 29 LYS C C 29 177.900 177.900 178.681 -0.781 17577 146 1 1 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.390 0.510 17577 147 1 1 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.271 -0.871 17577 148 1 1 . 1 1 29 29 LYS H H 29 7.910 7.910 8.679 -0.769 17577 149 1 1 . 1 1 30 30 ASP N N 30 118.800 118.800 116.848 1.952 17577 150 1 1 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.528 -0.138 17577 151 1 1 . 1 1 30 30 ASP C C 30 177.000 177.000 177.436 -0.436 17577 152 1 1 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.238 0.962 17577 153 1 1 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.613 -0.013 17577 154 1 1 . 1 1 30 30 ASP H H 30 8.390 8.390 7.882 0.508 17577 155 1 1 . 1 1 31 31 LYS N N 31 118.000 118.000 116.561 1.439 17577 156 1 1 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.420 -0.030 17577 157 1 1 . 1 1 31 31 LYS C C 31 177.200 177.200 176.764 0.436 17577 158 1 1 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.695 0.305 17577 159 1 1 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.190 1.010 17577 160 1 1 . 1 1 31 31 LYS H H 31 8.110 8.110 8.244 -0.134 17577 161 1 1 . 1 1 32 32 MET N N 32 120.300 120.300 117.700 2.600 17577 162 1 1 . 1 1 32 32 MET HA H 32 4.520 4.520 4.607 -0.087 17577 163 1 1 . 1 1 32 32 MET C C 32 176.200 176.200 175.525 0.675 17577 164 1 1 . 1 1 32 32 MET CA C 32 58.000 58.000 56.253 1.747 17577 165 1 1 . 1 1 32 32 MET CB C 32 33.500 33.500 33.597 -0.097 17577 166 1 1 . 1 1 32 32 MET H H 32 7.240 7.240 7.341 -0.101 17577 167 1 1 . 1 1 33 33 LYS N N 33 120.200 120.200 117.229 2.971 17577 168 1 1 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.548 0.152 17577 169 1 1 . 1 1 33 33 LYS C C 33 173.000 173.000 176.253 -3.253 17577 170 1 1 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.048 2.052 17577 171 1 1 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.369 4.731 17577 172 1 1 . 1 1 33 33 LYS H H 33 8.560 8.560 8.138 0.422 17577 173 1 1 . 1 1 34 34 MET N N 34 118.300 118.300 120.536 -2.236 17577 174 1 1 . 1 1 34 34 MET HA H 34 4.080 4.080 4.209 -0.129 17577 175 1 1 . 1 1 34 34 MET C C 34 173.800 173.800 174.962 -1.162 17577 176 1 1 . 1 1 34 34 MET CA C 34 59.500 59.500 56.863 2.637 17577 177 1 1 . 1 1 34 34 MET CB C 34 35.700 35.700 33.375 2.325 17577 178 1 1 . 1 1 34 34 MET H H 34 8.370 8.370 8.474 -0.104 17577 179 1 1 . 1 1 35 35 ALA N N 35 126.000 126.000 126.643 -0.643 17577 180 1 1 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.699 0.561 17577 181 1 1 . 1 1 35 35 ALA C C 35 176.100 176.100 175.841 0.259 17577 182 1 1 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.375 0.225 17577 183 1 1 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.291 1.509 17577 184 1 1 . 1 1 35 35 ALA H H 35 7.360 7.360 8.241 -0.881 17577 185 1 1 . 1 1 36 36 MET N N 36 117.100 117.100 114.914 2.186 17577 186 1 1 . 1 1 36 36 MET HA H 36 5.280 5.280 5.678 -0.398 17577 187 1 1 . 1 1 36 36 MET C C 36 172.600 172.600 174.693 -2.093 17577 188 1 1 . 1 1 36 36 MET CA C 36 56.100 56.100 52.427 3.673 17577 189 1 1 . 1 1 36 36 MET CB C 36 39.600 39.600 36.403 3.197 17577 190 1 1 . 1 1 36 36 MET H H 36 8.920 8.920 9.001 -0.081 17577 191 1 1 . 1 1 37 37 ALA N N 37 121.700 121.700 120.327 1.373 17577 192 1 1 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.779 0.651 17577 193 1 1 . 1 1 37 37 ALA C C 37 175.400 175.400 174.768 0.632 17577 194 1 1 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.870 -0.670 17577 195 1 1 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.780 1.620 17577 196 1 1 . 1 1 37 37 ALA H H 37 8.980 8.980 9.038 -0.058 17577 197 1 1 . 1 1 38 38 ARG N N 38 120.400 120.400 120.735 -0.335 17577 198 1 1 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.918 0.232 17577 199 1 1 . 1 1 38 38 ARG C C 38 174.900 174.900 173.905 0.995 17577 200 1 1 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.246 -0.046 17577 201 1 1 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.846 0.753 17577 202 1 1 . 1 1 38 38 ARG H H 38 9.180 9.180 8.010 1.170 17577 203 1 1 . 1 1 39 39 ILE N N 39 126.000 126.000 125.356 0.644 17577 204 1 1 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.717 0.203 17577 205 1 1 . 1 1 39 39 ILE C C 39 175.100 175.100 174.374 0.726 17577 206 1 1 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.025 1.175 17577 207 1 1 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.106 0.294 17577 208 1 1 . 1 1 39 39 ILE H H 39 8.930 8.930 8.563 0.367 17577 209 1 1 . 1 1 40 40 SER N N 40 121.700 121.700 121.909 -0.209 17577 210 1 1 . 1 1 40 40 SER HA H 40 4.630 4.630 4.869 -0.239 17577 211 1 1 . 1 1 40 40 SER CA C 40 57.900 57.900 56.583 1.317 17577 212 1 1 . 1 1 40 40 SER CB C 40 66.300 66.300 65.968 0.332 17577 213 1 1 . 1 1 40 40 SER H H 40 8.780 8.780 8.942 -0.162 17577 214 1 1 . 1 1 41 41 PHE N N 41 122.300 122.300 123.606 -1.306 17577 215 1 1 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.593 0.057 17577 216 1 1 . 1 1 41 41 PHE C C 41 175.900 175.900 175.516 0.384 17577 217 1 1 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.721 2.379 17577 218 1 1 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.862 1.838 17577 219 1 1 . 1 1 41 41 PHE H H 41 9.080 9.080 8.916 0.164 17577 220 1 1 . 1 1 42 42 LEU N N 42 125.100 125.100 125.753 -0.653 17577 221 1 1 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.325 0.305 17577 222 1 1 . 1 1 42 42 LEU C C 42 176.400 176.400 177.462 -1.062 17577 223 1 1 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.411 0.089 17577 224 1 1 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.802 0.998 17577 225 1 1 . 1 1 42 42 LEU H H 42 8.540 8.540 7.942 0.598 17577 226 1 1 . 1 1 43 43 GLY N N 43 108.700 108.700 104.003 4.697 17577 227 1 1 . 1 1 43 43 GLY C C 43 173.700 173.700 173.940 -0.240 17577 228 1 1 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.042 0.858 17577 229 1 1 . 1 1 43 43 GLY H H 43 8.310 8.310 7.853 0.457 17577 230 1 1 . 1 1 44 44 GLU N N 44 120.300 120.300 120.695 -0.395 17577 231 1 1 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.835 0.275 17577 232 1 1 . 1 1 44 44 GLU C C 44 177.200 177.200 176.393 0.807 17577 233 1 1 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.792 0.808 17577 234 1 1 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.621 1.179 17577 235 1 1 . 1 1 44 44 GLU H H 44 8.900 8.900 8.832 0.068 17577 236 1 1 . 1 1 45 45 ASP N N 45 115.200 115.200 115.424 -0.224 17577 237 1 1 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.926 -0.056 17577 238 1 1 . 1 1 45 45 ASP C C 45 174.500 174.500 175.723 -1.223 17577 239 1 1 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.781 1.019 17577 240 1 1 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.420 2.280 17577 241 1 1 . 1 1 45 45 ASP H H 45 8.500 8.500 8.215 0.285 17577 242 1 1 . 1 1 46 46 GLU N N 46 117.800 117.800 119.418 -1.618 17577 243 1 1 . 1 1 46 46 GLU HA H 46 5.570 5.570 5.058 0.512 17577 244 1 1 . 1 1 46 46 GLU C C 46 174.800 174.800 173.498 1.302 17577 245 1 1 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.453 -0.153 17577 246 1 1 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.036 1.964 17577 247 1 1 . 1 1 46 46 GLU H H 46 7.450 7.450 8.341 -0.891 17577 248 1 1 . 1 1 47 47 LEU N N 47 124.200 124.200 120.162 4.038 17577 249 1 1 . 1 1 47 47 LEU HA H 47 4.880 4.880 4.955 -0.075 17577 250 1 1 . 1 1 47 47 LEU C C 47 173.900 173.900 173.898 0.002 17577 251 1 1 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.022 2.278 17577 252 1 1 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.807 0.292 17577 253 1 1 . 1 1 47 47 LEU H H 47 9.160 9.160 8.787 0.373 17577 254 1 1 . 1 1 48 48 LYS N N 48 123.800 123.800 121.317 2.483 17577 255 1 1 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.532 0.418 17577 256 1 1 . 1 1 48 48 LYS C C 48 174.300 174.300 174.135 0.165 17577 257 1 1 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.328 0.672 17577 258 1 1 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.842 0.958 17577 259 1 1 . 1 1 48 48 LYS H H 48 9.020 9.020 8.532 0.488 17577 260 1 1 . 1 1 49 49 VAL N N 49 126.600 126.600 125.938 0.662 17577 261 1 1 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.673 -0.063 17577 262 1 1 . 1 1 49 49 VAL C C 49 173.800 173.800 173.528 0.272 17577 263 1 1 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.490 1.810 17577 264 1 1 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.070 -0.770 17577 265 1 1 . 1 1 49 49 VAL H H 49 8.920 8.920 8.258 0.662 17577 266 1 1 . 1 1 50 50 SER N N 50 120.900 120.900 121.711 -0.811 17577 267 1 1 . 1 1 50 50 SER HA H 50 4.860 4.860 4.685 0.175 17577 268 1 1 . 1 1 50 50 SER CA C 50 57.300 57.300 56.461 0.839 17577 269 1 1 . 1 1 50 50 SER CB C 50 65.100 65.100 65.513 -0.413 17577 270 1 1 . 1 1 50 50 SER H H 50 8.360 8.360 8.720 -0.360 17577 271 1 1 . 1 1 51 51 TYR N N 51 122.000 122.000 122.223 -0.223 17577 272 1 1 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.667 0.183 17577 273 1 1 . 1 1 51 51 TYR C C 51 176.800 176.800 173.986 2.814 17577 274 1 1 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.940 1.260 17577 275 1 1 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.724 1.876 17577 276 1 1 . 1 1 51 51 TYR H H 51 8.990 8.990 8.247 0.743 17577 277 1 1 . 1 1 52 52 ALA N N 52 124.000 124.000 126.160 -2.160 17577 278 1 1 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.929 -0.059 17577 279 1 1 . 1 1 52 52 ALA C C 52 174.800 174.800 174.958 -0.158 17577 280 1 1 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.865 2.135 17577 281 1 1 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.482 0.318 17577 282 1 1 . 1 1 52 52 ALA H H 52 8.640 8.640 9.319 -0.679 17577 283 1 1 . 1 1 53 53 VAL N N 53 124.300 124.300 123.941 0.359 17577 284 1 1 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.514 0.256 17577 285 1 1 . 1 1 53 53 VAL C C 53 174.200 174.200 173.736 0.464 17577 286 1 1 . 1 1 53 53 VAL CA C 53 59.300 59.300 59.157 0.143 17577 287 1 1 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.461 1.039 17577 288 1 1 . 1 1 53 53 VAL H H 53 9.120 9.120 8.101 1.019 17577 289 1 1 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.583 0.117 17577 290 1 1 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.170 2.530 17577 291 1 1 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.245 1.655 17577 292 1 1 . 1 1 55 55 LYS N N 55 121.100 121.100 125.290 -4.190 17577 293 1 1 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.685 0.245 17577 294 1 1 . 1 1 55 55 LYS CA C 55 54.600 54.600 52.613 1.987 17577 295 1 1 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.719 -0.319 17577 296 1 1 . 1 1 55 55 LYS H H 55 8.040 8.040 7.850 0.190 17577 297 1 1 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.185 0.095 17577 298 1 1 . 1 1 56 56 PRO C C 56 177.200 177.200 177.243 -0.043 17577 299 1 1 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.260 1.139 17577 300 1 1 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.981 0.319 17577 301 1 1 . 1 1 57 57 ASN N N 57 114.200 114.200 115.051 -0.851 17577 302 1 1 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.636 0.084 17577 303 1 1 . 1 1 57 57 ASN C C 57 174.900 174.900 175.177 -0.277 17577 304 1 1 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.012 0.988 17577 305 1 1 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.169 0.131 17577 306 1 1 . 1 1 57 57 ASN H H 57 8.370 8.370 8.122 0.248 17577 307 1 1 . 1 1 58 58 GLY N N 58 106.500 106.500 107.380 -0.880 17577 308 1 1 . 1 1 58 58 GLY C C 58 172.000 172.000 173.470 -1.470 17577 309 1 1 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.914 2.086 17577 310 1 1 . 1 1 58 58 GLY H H 58 7.810 7.810 7.868 -0.058 17577 311 1 1 . 1 1 60 60 ARG N N 60 132.300 132.300 125.683 6.617 17577 312 1 1 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.663 -0.083 17577 313 1 1 . 1 1 60 60 ARG C C 60 174.000 174.000 174.154 -0.154 17577 314 1 1 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.760 0.740 17577 315 1 1 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.834 -0.434 17577 316 1 1 . 1 1 60 60 ARG H H 60 9.120 9.120 8.365 0.755 17577 317 1 1 . 1 1 61 61 LYS N N 61 126.200 126.200 126.697 -0.497 17577 318 1 1 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.459 0.061 17577 319 1 1 . 1 1 61 61 LYS C C 61 175.900 175.900 175.215 0.685 17577 320 1 1 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.124 0.976 17577 321 1 1 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.098 1.002 17577 322 1 1 . 1 1 61 61 LYS H H 61 8.500 8.500 8.445 0.055 17577 323 1 1 . 1 1 62 62 TRP N N 62 121.900 121.900 124.149 -2.249 17577 324 1 1 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.956 -0.096 17577 325 1 1 . 1 1 62 62 TRP C C 62 171.900 171.900 173.666 -1.766 17577 326 1 1 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.070 1.630 17577 327 1 1 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.013 1.287 17577 328 1 1 . 1 1 62 62 TRP H H 62 8.070 8.070 8.957 -0.887 17577 329 1 1 . 1 1 63 63 GLU N N 63 117.100 117.100 119.238 -2.138 17577 330 1 1 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.140 1.470 17577 331 1 1 . 1 1 63 63 GLU C C 63 175.500 175.500 174.828 0.672 17577 332 1 1 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.674 0.526 17577 333 1 1 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.054 3.046 17577 334 1 1 . 1 1 63 63 GLU H H 63 8.450 8.450 8.248 0.202 17577 335 1 1 . 1 1 64 64 THR N N 64 117.400 117.400 117.028 0.372 17577 336 1 1 . 1 1 64 64 THR HA H 64 4.600 4.600 4.228 0.372 17577 337 1 1 . 1 1 64 64 THR C C 64 171.800 171.800 172.479 -0.679 17577 338 1 1 . 1 1 64 64 THR CA C 64 63.000 63.000 61.642 1.358 17577 339 1 1 . 1 1 64 64 THR CB C 64 72.700 72.700 71.983 0.717 17577 340 1 1 . 1 1 64 64 THR H H 64 8.980 8.980 8.034 0.946 17577 341 1 1 . 1 1 65 65 THR N N 65 119.100 119.100 118.717 0.383 17577 342 1 1 . 1 1 65 65 THR HA H 65 5.260 5.260 4.456 0.804 17577 343 1 1 . 1 1 65 65 THR C C 65 173.700 173.700 173.800 -0.100 17577 344 1 1 . 1 1 65 65 THR CA C 65 62.300 62.300 61.941 0.359 17577 345 1 1 . 1 1 65 65 THR CB C 65 71.100 71.100 70.425 0.675 17577 346 1 1 . 1 1 65 65 THR H H 65 8.380 8.380 8.283 0.097 17577 347 1 1 . 1 1 66 66 PHE N N 66 123.400 123.400 125.573 -2.173 17577 348 1 1 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.708 0.122 17577 349 1 1 . 1 1 66 66 PHE C C 66 174.200 174.200 174.682 -0.482 17577 350 1 1 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.703 3.397 17577 351 1 1 . 1 1 66 66 PHE CB C 66 45.600 45.600 40.221 5.379 17577 352 1 1 . 1 1 66 66 PHE H H 66 9.590 9.590 9.079 0.511 17577 353 1 1 . 1 1 67 67 LYS N N 67 119.700 119.700 122.380 -2.680 17577 354 1 1 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.889 0.631 17577 355 1 1 . 1 1 67 67 LYS C C 67 176.500 176.500 176.430 0.070 17577 356 1 1 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.781 0.719 17577 357 1 1 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.128 1.172 17577 358 1 1 . 1 1 67 67 LYS H H 67 8.880 8.880 8.312 0.568 17577 359 1 1 . 1 1 68 68 LYS N N 68 129.100 129.100 120.320 8.780 17577 360 1 1 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.013 0.867 17577 361 1 1 . 1 1 68 68 LYS C C 68 177.400 177.400 175.232 2.168 17577 362 1 1 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.327 1.373 17577 363 1 1 . 1 1 68 68 LYS CB C 68 35.300 35.300 31.593 3.707 17577 364 1 1 . 1 1 68 68 LYS H H 68 8.850 8.850 8.743 0.107 17577 365 1 1 . 1 1 69 69 THR N N 69 118.500 118.500 113.043 5.457 17577 366 1 1 . 1 1 69 69 THR HA H 69 4.710 4.710 4.942 -0.232 17577 367 1 1 . 1 1 69 69 THR C C 69 174.600 174.600 174.336 0.264 17577 368 1 1 . 1 1 69 69 THR CA C 69 61.900 61.900 60.936 0.964 17577 369 1 1 . 1 1 69 69 THR CB C 69 70.800 70.800 68.577 2.223 17577 370 1 1 . 1 1 69 69 THR H H 69 8.720 8.720 7.946 0.774 17577 371 1 1 . 1 1 70 70 SER N N 70 111.800 111.800 118.859 -7.059 17577 372 1 1 . 1 1 70 70 SER HA H 70 4.420 4.420 4.857 -0.437 17577 373 1 1 . 1 1 70 70 SER C C 70 174.500 174.500 174.861 -0.361 17577 374 1 1 . 1 1 70 70 SER CA C 70 59.300 59.300 58.170 1.130 17577 375 1 1 . 1 1 70 70 SER CB C 70 64.400 64.400 64.475 -0.075 17577 376 1 1 . 1 1 70 70 SER H H 70 8.350 8.350 8.029 0.321 17577 377 1 1 . 1 1 71 71 ASP N N 71 121.100 121.100 124.863 -3.763 17577 378 1 1 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.330 0.050 17577 379 1 1 . 1 1 71 71 ASP C C 71 175.600 175.600 176.781 -1.181 17577 380 1 1 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.392 -0.292 17577 381 1 1 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.740 2.260 17577 382 1 1 . 1 1 71 71 ASP H H 71 7.960 7.960 8.598 -0.638 17577 383 1 1 . 1 1 72 72 ASP N N 72 121.000 121.000 119.850 1.150 17577 384 1 1 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.651 -0.201 17577 385 1 1 . 1 1 72 72 ASP C C 72 175.900 175.900 176.565 -0.665 17577 386 1 1 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.046 2.054 17577 387 1 1 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.854 3.246 17577 388 1 1 . 1 1 72 72 ASP H H 72 8.500 8.500 8.342 0.158 17577 389 1 1 . 1 1 73 73 GLY N N 73 109.100 109.100 112.434 -3.334 17577 390 1 1 . 1 1 73 73 GLY C C 73 172.800 172.800 174.039 -1.239 17577 391 1 1 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.999 -0.499 17577 392 1 1 . 1 1 73 73 GLY H H 73 8.200 8.200 7.926 0.274 17577 393 1 1 . 1 1 74 74 GLU N N 74 123.300 123.300 124.903 -1.603 17577 394 1 1 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.794 -0.024 17577 395 1 1 . 1 1 74 74 GLU C C 74 173.600 173.600 174.634 -1.034 17577 396 1 1 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.444 -0.044 17577 397 1 1 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.777 -0.177 17577 398 1 1 . 1 1 74 74 GLU H H 74 8.780 8.780 8.110 0.670 17577 399 1 1 . 1 1 75 75 VAL N N 75 123.500 123.500 122.220 1.280 17577 400 1 1 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.460 0.580 17577 401 1 1 . 1 1 75 75 VAL C C 75 174.100 174.100 174.024 0.076 17577 402 1 1 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.272 2.228 17577 403 1 1 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.635 -1.635 17577 404 1 1 . 1 1 75 75 VAL H H 75 7.870 7.870 8.328 -0.458 17577 405 1 1 . 1 1 76 76 TYR N N 76 125.000 125.000 125.513 -0.513 17577 406 1 1 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.054 0.186 17577 407 1 1 . 1 1 76 76 TYR C C 76 174.300 174.300 173.226 1.074 17577 408 1 1 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.140 2.660 17577 409 1 1 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.256 2.444 17577 410 1 1 . 1 1 76 76 TYR H H 76 9.360 9.360 8.537 0.823 17577 411 1 1 . 1 1 77 77 TYR N N 77 120.500 120.500 127.427 -6.927 17577 412 1 1 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.117 1.763 17577 413 1 1 . 1 1 77 77 TYR C C 77 174.600 174.600 173.469 1.131 17577 414 1 1 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.505 1.495 17577 415 1 1 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.688 2.912 17577 416 1 1 . 1 1 77 77 TYR H H 77 9.480 9.480 8.223 1.257 17577 417 1 1 . 1 1 78 78 SER N N 78 125.100 125.100 122.000 3.100 17577 418 1 1 . 1 1 78 78 SER HA H 78 4.830 4.830 4.770 0.060 17577 419 1 1 . 1 1 78 78 SER C C 78 174.300 174.300 173.603 0.697 17577 420 1 1 . 1 1 78 78 SER CA C 78 55.600 55.600 56.303 -0.703 17577 421 1 1 . 1 1 78 78 SER CB C 78 64.400 64.400 63.688 0.712 17577 422 1 1 . 1 1 78 78 SER H H 78 8.570 8.570 7.618 0.952 17577 423 1 1 . 1 1 79 79 GLU N N 79 130.000 130.000 127.282 2.718 17577 424 1 1 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.872 0.108 17577 425 1 1 . 1 1 79 79 GLU C C 79 178.600 178.600 176.872 1.728 17577 426 1 1 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.381 0.719 17577 427 1 1 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.785 0.715 17577 428 1 1 . 1 1 79 79 GLU H H 79 8.670 8.670 8.769 -0.099 17577 429 1 1 . 1 1 80 80 GLU N N 80 118.900 118.900 118.895 0.005 17577 430 1 1 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.115 -0.115 17577 431 1 1 . 1 1 80 80 GLU C C 80 177.700 177.700 176.956 0.744 17577 432 1 1 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.573 1.427 17577 433 1 1 . 1 1 80 80 GLU CB C 80 30.500 30.500 28.926 1.574 17577 434 1 1 . 1 1 80 80 GLU H H 80 8.560 8.560 8.444 0.116 17577 435 1 1 . 1 1 81 81 ALA N N 81 117.600 117.600 119.945 -2.345 17577 436 1 1 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.378 0.012 17577 437 1 1 . 1 1 81 81 ALA C C 81 176.000 176.000 176.725 -0.725 17577 438 1 1 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.285 1.115 17577 439 1 1 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.721 1.879 17577 440 1 1 . 1 1 81 81 ALA H H 81 7.410 7.410 7.811 -0.401 17577 441 1 1 . 1 1 82 82 LYS N N 82 118.300 118.300 116.550 1.750 17577 442 1 1 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.748 0.122 17577 443 1 1 . 1 1 82 82 LYS C C 82 175.100 175.100 174.496 0.604 17577 444 1 1 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.173 0.027 17577 445 1 1 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.676 0.624 17577 446 1 1 . 1 1 82 82 LYS H H 82 7.830 7.830 7.789 0.041 17577 447 1 1 . 1 1 83 83 LYS N N 83 118.400 118.400 118.636 -0.236 17577 448 1 1 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.855 0.585 17577 449 1 1 . 1 1 83 83 LYS C C 83 172.400 172.400 173.940 -1.540 17577 450 1 1 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.316 0.184 17577 451 1 1 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.963 3.137 17577 452 1 1 . 1 1 83 83 LYS H H 83 7.150 7.150 7.143 0.007 17577 453 1 1 . 1 1 84 84 LYS N N 84 130.000 130.000 124.355 5.645 17577 454 1 1 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.071 1.609 17577 455 1 1 . 1 1 84 84 LYS C C 84 174.900 174.900 173.922 0.978 17577 456 1 1 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.066 1.633 17577 457 1 1 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.184 1.816 17577 458 1 1 . 1 1 84 84 LYS H H 84 9.540 9.540 8.204 1.336 17577 459 1 1 . 1 1 85 85 VAL N N 85 121.100 121.100 117.785 3.315 17577 460 1 1 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.092 -0.112 17577 461 1 1 . 1 1 85 85 VAL C C 85 173.000 173.000 174.192 -1.192 17577 462 1 1 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.957 1.443 17577 463 1 1 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.776 0.924 17577 464 1 1 . 1 1 85 85 VAL H H 85 9.510 9.510 7.836 1.674 17577 465 1 1 . 1 1 86 86 GLU N N 86 123.700 123.700 127.516 -3.816 17577 466 1 1 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.858 0.462 17577 467 1 1 . 1 1 86 86 GLU C C 86 175.800 175.800 175.128 0.672 17577 468 1 1 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.805 0.895 17577 469 1 1 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.578 0.622 17577 470 1 1 . 1 1 86 86 GLU H H 86 8.830 8.830 8.604 0.226 17577 471 1 1 . 1 1 87 87 VAL N N 87 125.400 125.400 128.062 -2.662 17577 472 1 1 . 1 1 87 87 VAL HA H 87 4.170 4.170 3.995 0.175 17577 473 1 1 . 1 1 87 87 VAL C C 87 176.000 176.000 174.538 1.462 17577 474 1 1 . 1 1 87 87 VAL CA C 87 63.500 63.500 64.088 -0.588 17577 475 1 1 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.104 -0.104 17577 476 1 1 . 1 1 87 87 VAL H H 87 8.760 8.760 8.584 0.176 17577 477 1 1 . 1 1 88 88 LEU N N 88 128.000 128.000 129.055 -1.055 17577 478 1 1 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.647 -0.257 17577 479 1 1 . 1 1 88 88 LEU C C 88 177.200 177.200 176.805 0.395 17577 480 1 1 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.544 1.456 17577 481 1 1 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.489 1.711 17577 482 1 1 . 1 1 88 88 LEU H H 88 8.990 8.990 8.287 0.703 17577 483 1 1 . 1 1 89 89 ASP N N 89 113.900 113.900 116.854 -2.954 17577 484 1 1 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.719 0.061 17577 485 1 1 . 1 1 89 89 ASP C C 89 173.900 173.900 174.098 -0.198 17577 486 1 1 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.736 1.165 17577 487 1 1 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.426 2.174 17577 488 1 1 . 1 1 89 89 ASP H H 89 7.140 7.140 8.127 -0.987 17577 489 1 1 . 1 1 90 90 THR N N 90 119.500 119.500 118.955 0.545 17577 490 1 1 . 1 1 90 90 THR HA H 90 3.800 3.800 4.343 -0.543 17577 491 1 1 . 1 1 90 90 THR C C 90 169.800 169.800 172.212 -2.412 17577 492 1 1 . 1 1 90 90 THR CA C 90 61.500 61.500 62.218 -0.718 17577 493 1 1 . 1 1 90 90 THR CB C 90 69.200 69.200 70.785 -1.585 17577 494 1 1 . 1 1 90 90 THR H H 90 8.070 8.070 8.367 -0.297 17577 495 1 1 . 1 1 91 91 ASP N N 91 122.400 122.400 126.029 -3.629 17577 496 1 1 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.482 0.368 17577 497 1 1 . 1 1 91 91 ASP C C 91 176.800 176.800 175.694 1.106 17577 498 1 1 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.183 0.717 17577 499 1 1 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.130 -0.230 17577 500 1 1 . 1 1 91 91 ASP H H 91 6.790 6.790 8.109 -1.319 17577 501 1 1 . 1 1 92 92 TYR N N 92 115.100 115.100 115.855 -0.755 17577 502 1 1 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.820 -0.310 17577 503 1 1 . 1 1 92 92 TYR C C 92 173.900 173.900 175.643 -1.743 17577 504 1 1 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.410 3.890 17577 505 1 1 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.527 1.073 17577 506 1 1 . 1 1 92 92 TYR H H 92 9.420 9.420 7.324 2.096 17577 507 1 1 . 1 1 93 93 LYS N N 93 112.300 112.300 118.630 -6.330 17577 508 1 1 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.039 0.631 17577 509 1 1 . 1 1 93 93 LYS C C 93 175.600 175.600 176.470 -0.870 17577 510 1 1 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.274 1.226 17577 511 1 1 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.709 5.091 17577 512 1 1 . 1 1 93 93 LYS H H 93 8.080 8.080 8.154 -0.074 17577 513 1 1 . 1 1 94 94 SER N N 94 120.300 120.300 107.475 12.825 17577 514 1 1 . 1 1 94 94 SER HA H 94 4.820 4.820 4.528 0.292 17577 515 1 1 . 1 1 94 94 SER CA C 94 61.200 61.200 58.539 2.661 17577 516 1 1 . 1 1 94 94 SER CB C 94 68.800 68.800 65.780 3.020 17577 517 1 1 . 1 1 94 94 SER H H 94 11.420 11.420 7.617 3.803 17577 518 1 1 . 1 1 95 95 TYR N N 95 122.700 122.700 116.798 5.902 17577 519 1 1 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.193 0.957 17577 520 1 1 . 1 1 95 95 TYR C C 95 173.500 173.500 172.869 0.631 17577 521 1 1 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.362 1.238 17577 522 1 1 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.775 2.825 17577 523 1 1 . 1 1 95 95 TYR H H 95 8.490 8.490 7.096 1.394 17577 524 1 1 . 1 1 96 96 ALA N N 96 120.900 120.900 120.326 0.574 17577 525 1 1 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.742 -0.192 17577 526 1 1 . 1 1 96 96 ALA C C 96 174.700 174.700 174.926 -0.226 17577 527 1 1 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.733 1.767 17577 528 1 1 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.456 1.244 17577 529 1 1 . 1 1 96 96 ALA H H 96 9.010 9.010 8.281 0.729 17577 530 1 1 . 1 1 97 97 VAL N N 97 121.700 121.700 122.855 -1.155 17577 531 1 1 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.436 -0.416 17577 532 1 1 . 1 1 97 97 VAL C C 97 174.300 174.300 174.429 -0.129 17577 533 1 1 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.081 3.119 17577 534 1 1 . 1 1 97 97 VAL CB C 97 33.600 33.600 34.417 -0.817 17577 535 1 1 . 1 1 97 97 VAL H H 97 9.310 9.310 9.015 0.295 17577 536 1 1 . 1 1 98 98 ILE N N 98 129.600 129.600 125.220 4.380 17577 537 1 1 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.767 0.283 17577 538 1 1 . 1 1 98 98 ILE C C 98 174.000 174.000 173.331 0.669 17577 539 1 1 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.026 0.174 17577 540 1 1 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.444 0.256 17577 541 1 1 . 1 1 98 98 ILE H H 98 9.550 9.550 8.263 1.287 17577 542 1 1 . 1 1 99 99 TYR N N 99 128.100 128.100 129.443 -1.343 17577 543 1 1 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.856 0.404 17577 544 1 1 . 1 1 99 99 TYR C C 99 173.700 173.700 173.546 0.154 17577 545 1 1 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.008 0.692 17577 546 1 1 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.585 2.615 17577 547 1 1 . 1 1 99 99 TYR H H 99 9.550 9.550 8.366 1.184 17577 548 1 1 . 1 1 100 100 ALA N N 100 134.400 134.400 131.571 2.829 17577 549 1 1 . 1 1 100 100 ALA HA H 100 5.720 5.720 4.963 0.757 17577 550 1 1 . 1 1 100 100 ALA C C 100 175.500 175.500 175.377 0.123 17577 551 1 1 . 1 1 100 100 ALA CA C 100 51.400 51.400 50.048 1.352 17577 552 1 1 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.795 3.105 17577 553 1 1 . 1 1 100 100 ALA H H 100 9.610 9.610 8.593 1.017 17577 554 1 1 . 1 1 101 101 THR N N 101 116.200 116.200 117.086 -0.886 17577 555 1 1 . 1 1 101 101 THR HA H 101 5.450 5.450 4.759 0.691 17577 556 1 1 . 1 1 101 101 THR C C 101 173.600 173.600 172.795 0.805 17577 557 1 1 . 1 1 101 101 THR CA C 101 62.000 62.000 61.306 0.695 17577 558 1 1 . 1 1 101 101 THR CB C 101 73.100 73.100 71.143 1.957 17577 559 1 1 . 1 1 101 101 THR H H 101 9.430 9.430 8.256 1.174 17577 560 1 1 . 1 1 102 102 ARG N N 102 125.700 125.700 129.057 -3.357 17577 561 1 1 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.807 0.403 17577 562 1 1 . 1 1 102 102 ARG C C 102 173.900 173.900 173.653 0.247 17577 563 1 1 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.830 0.670 17577 564 1 1 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.350 2.750 17577 565 1 1 . 1 1 102 102 ARG H H 102 8.970 8.970 8.232 0.738 17577 566 1 1 . 1 1 103 103 VAL N N 103 122.100 122.100 126.071 -3.971 17577 567 1 1 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.569 0.201 17577 568 1 1 . 1 1 103 103 VAL C C 103 175.700 175.700 174.325 1.375 17577 569 1 1 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.425 1.975 17577 570 1 1 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.247 0.153 17577 571 1 1 . 1 1 103 103 VAL H H 103 7.870 7.870 8.007 -0.137 17577 572 1 1 . 1 1 104 104 LYS N N 104 130.100 130.100 127.679 2.421 17577 573 1 1 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.553 -0.093 17577 574 1 1 . 1 1 104 104 LYS C C 104 175.400 175.400 175.805 -0.405 17577 575 1 1 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.508 1.492 17577 576 1 1 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.914 0.486 17577 577 1 1 . 1 1 104 104 LYS H H 104 8.980 8.980 8.747 0.233 17577 578 1 1 . 1 1 106 106 GLY N N 106 136.200 136.200 113.158 23.042 17577 579 1 1 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.144 1.256 17577 580 1 1 . 1 1 106 106 GLY H H 106 8.330 8.330 8.395 -0.065 17577 581 1 1 . 1 1 107 107 ARG N N 107 121.300 121.300 120.802 0.498 17577 582 1 1 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.711 -0.041 17577 583 1 1 . 1 1 107 107 ARG C C 107 174.500 174.500 174.779 -0.279 17577 584 1 1 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.745 0.655 17577 585 1 1 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.234 -0.034 17577 586 1 1 . 1 1 107 107 ARG H H 107 7.880 7.880 8.072 -0.192 17577 587 1 1 . 1 1 108 108 THR N N 108 118.800 118.800 117.763 1.037 17577 588 1 1 . 1 1 108 108 THR HA H 108 4.490 4.490 4.577 -0.087 17577 589 1 1 . 1 1 108 108 THR C C 108 173.400 173.400 173.458 -0.058 17577 590 1 1 . 1 1 108 108 THR CA C 108 64.100 64.100 61.510 2.590 17577 591 1 1 . 1 1 108 108 THR CB C 108 69.800 69.800 70.681 -0.881 17577 592 1 1 . 1 1 108 108 THR H H 108 8.650 8.650 8.381 0.269 17577 593 1 1 . 1 1 109 109 LEU N N 109 128.900 128.900 124.631 4.269 17577 594 1 1 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.806 -0.076 17577 595 1 1 . 1 1 109 109 LEU C C 109 175.700 175.700 174.323 1.377 17577 596 1 1 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.983 0.317 17577 597 1 1 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.239 0.261 17577 598 1 1 . 1 1 109 109 LEU H H 109 9.220 9.220 8.388 0.832 17577 599 1 1 . 1 1 110 110 HIS N N 110 116.200 116.200 119.165 -2.965 17577 600 1 1 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.159 0.881 17577 601 1 1 . 1 1 110 110 HIS C C 110 175.300 175.300 173.446 1.854 17577 602 1 1 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.152 1.148 17577 603 1 1 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.308 2.192 17577 604 1 1 . 1 1 110 110 HIS H H 110 8.490 8.490 8.030 0.460 17577 605 1 1 . 1 1 111 111 MET N N 111 123.400 123.400 116.547 6.853 17577 606 1 1 . 1 1 111 111 MET HA H 111 4.550 4.550 4.895 -0.345 17577 607 1 1 . 1 1 111 111 MET C C 111 174.000 174.000 173.470 0.530 17577 608 1 1 . 1 1 111 111 MET CA C 111 56.600 56.600 54.928 1.672 17577 609 1 1 . 1 1 111 111 MET CB C 111 37.800 37.800 37.031 0.769 17577 610 1 1 . 1 1 111 111 MET H H 111 9.090 9.090 8.872 0.218 17577 611 1 1 . 1 1 112 112 MET N N 112 122.900 122.900 121.066 1.834 17577 612 1 1 . 1 1 112 112 MET HA H 112 5.670 5.670 5.357 0.313 17577 613 1 1 . 1 1 112 112 MET C C 112 175.400 175.400 174.816 0.584 17577 614 1 1 . 1 1 112 112 MET CA C 112 55.100 55.100 53.996 1.104 17577 615 1 1 . 1 1 112 112 MET CB C 112 37.200 37.200 36.411 0.789 17577 616 1 1 . 1 1 112 112 MET H H 112 9.120 9.120 8.370 0.750 17577 617 1 1 . 1 1 113 113 ARG N N 113 119.500 119.500 122.816 -3.316 17577 618 1 1 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.059 -0.009 17577 619 1 1 . 1 1 113 113 ARG C C 113 173.800 173.800 174.230 -0.430 17577 620 1 1 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.995 1.005 17577 621 1 1 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.767 4.833 17577 622 1 1 . 1 1 113 113 ARG H H 113 9.390 9.390 8.523 0.867 17577 623 1 1 . 1 1 114 114 LEU N N 114 124.400 124.400 125.248 -0.848 17577 624 1 1 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.057 -0.027 17577 625 1 1 . 1 1 114 114 LEU C C 114 174.200 174.200 174.395 -0.195 17577 626 1 1 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.217 0.883 17577 627 1 1 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.213 -0.313 17577 628 1 1 . 1 1 114 114 LEU H H 114 8.020 8.020 9.004 -0.984 17577 629 1 1 . 1 1 115 115 TYR N N 115 126.000 126.000 125.941 0.059 17577 630 1 1 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.556 0.244 17577 631 1 1 . 1 1 115 115 TYR C C 115 176.500 176.500 175.749 0.751 17577 632 1 1 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.560 1.440 17577 633 1 1 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.898 1.002 17577 634 1 1 . 1 1 115 115 TYR H H 115 9.540 9.540 9.337 0.203 17577 635 1 1 . 1 1 116 116 SER N N 116 113.200 113.200 114.238 -1.038 17577 636 1 1 . 1 1 116 116 SER HA H 116 5.840 5.840 5.220 0.620 17577 637 1 1 . 1 1 116 116 SER C C 116 175.400 175.400 174.589 0.811 17577 638 1 1 . 1 1 116 116 SER CA C 116 56.600 56.600 55.885 0.715 17577 639 1 1 . 1 1 116 116 SER CB C 116 67.700 67.700 65.218 2.482 17577 640 1 1 . 1 1 116 116 SER H H 116 9.930 9.930 8.399 1.531 17577 641 1 1 . 1 1 117 117 ARG N N 117 130.500 130.500 125.806 4.694 17577 642 1 1 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.150 -0.470 17577 643 1 1 . 1 1 117 117 ARG C C 117 175.400 175.400 175.330 0.070 17577 644 1 1 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.503 1.797 17577 645 1 1 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.655 1.845 17577 646 1 1 . 1 1 117 117 ARG H H 117 8.350 8.350 8.110 0.240 17577 647 1 1 . 1 1 118 118 SER N N 118 111.300 111.300 111.212 0.088 17577 648 1 1 . 1 1 118 118 SER HA H 118 4.990 4.990 4.618 0.372 17577 649 1 1 . 1 1 118 118 SER C C 118 173.400 173.400 172.097 1.303 17577 650 1 1 . 1 1 118 118 SER CA C 118 54.800 54.800 54.802 -0.002 17577 651 1 1 . 1 1 118 118 SER CB C 118 65.800 65.800 64.830 0.970 17577 652 1 1 . 1 1 118 118 SER H H 118 7.980 7.980 7.397 0.583 17577 653 1 1 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.508 -0.538 17577 654 1 1 . 1 1 119 119 PRO C C 119 175.500 175.500 177.231 -1.731 17577 655 1 1 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.475 0.625 17577 656 1 1 . 1 1 119 119 PRO CB C 119 32.200 32.200 32.121 0.079 17577 657 1 1 . 1 1 120 120 GLU N N 120 117.500 117.500 117.439 0.061 17577 658 1 1 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.441 -0.181 17577 659 1 1 . 1 1 120 120 GLU C C 120 174.500 174.500 175.178 -0.678 17577 660 1 1 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.958 -0.158 17577 661 1 1 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.042 -1.342 17577 662 1 1 . 1 1 120 120 GLU H H 120 7.410 7.410 7.582 -0.172 17577 663 1 1 . 1 1 121 121 VAL N N 121 124.900 124.900 119.442 5.458 17577 664 1 1 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.286 -0.146 17577 665 1 1 . 1 1 121 121 VAL C C 121 174.400 174.400 175.850 -1.450 17577 666 1 1 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.611 0.089 17577 667 1 1 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.110 0.990 17577 668 1 1 . 1 1 121 121 VAL H H 121 7.900 7.900 8.481 -0.581 17577 669 1 1 . 1 1 122 122 SER N N 122 124.500 124.500 123.436 1.064 17577 670 1 1 . 1 1 122 122 SER HA H 122 4.750 4.750 4.840 -0.090 17577 671 1 1 . 1 1 122 122 SER CA C 122 57.300 57.300 55.272 2.028 17577 672 1 1 . 1 1 122 122 SER CB C 122 64.500 64.500 64.071 0.429 17577 673 1 1 . 1 1 122 122 SER H H 122 8.680 8.680 8.413 0.267 17577 674 1 1 . 1 1 123 123 PRO C C 123 175.600 175.600 177.181 -1.581 17577 675 1 1 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.385 0.515 17577 676 1 1 . 1 1 124 124 ALA N N 124 120.100 120.100 118.621 1.479 17577 677 1 1 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.170 -0.100 17577 678 1 1 . 1 1 124 124 ALA C C 124 179.900 179.900 179.117 0.783 17577 679 1 1 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.450 1.350 17577 680 1 1 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.169 0.931 17577 681 1 1 . 1 1 124 124 ALA H H 124 8.030 8.030 7.594 0.436 17577 682 1 1 . 1 1 125 125 ALA N N 125 121.100 121.100 121.679 -0.579 17577 683 1 1 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.142 0.288 17577 684 1 1 . 1 1 125 125 ALA C C 125 179.200 179.200 179.500 -0.300 17577 685 1 1 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.584 1.016 17577 686 1 1 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.317 0.884 17577 687 1 1 . 1 1 125 125 ALA H H 125 7.510 7.510 8.277 -0.767 17577 688 1 1 . 1 1 126 126 THR N N 126 113.200 113.200 114.267 -1.067 17577 689 1 1 . 1 1 126 126 THR HA H 126 4.150 4.150 4.199 -0.049 17577 690 1 1 . 1 1 126 126 THR C C 126 176.100 176.100 176.231 -0.131 17577 691 1 1 . 1 1 126 126 THR CA C 126 68.900 68.900 66.830 2.070 17577 692 1 1 . 1 1 126 126 THR CB C 126 67.700 67.700 68.642 -0.942 17577 693 1 1 . 1 1 126 126 THR H H 126 7.820 7.820 7.700 0.120 17577 694 1 1 . 1 1 127 127 ALA N N 127 123.100 123.100 124.943 -1.843 17577 695 1 1 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.187 -0.107 17577 696 1 1 . 1 1 127 127 ALA C C 127 181.100 181.100 179.211 1.889 17577 697 1 1 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.883 1.317 17577 698 1 1 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.231 0.469 17577 699 1 1 . 1 1 127 127 ALA H H 127 7.900 7.900 7.451 0.449 17577 700 1 1 . 1 1 128 128 ILE N N 128 120.900 120.900 119.745 1.155 17577 701 1 1 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.795 -0.055 17577 702 1 1 . 1 1 128 128 ILE C C 128 177.300 177.300 177.098 0.202 17577 703 1 1 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.512 2.088 17577 704 1 1 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.796 2.604 17577 705 1 1 . 1 1 128 128 ILE H H 128 7.640 7.640 8.422 -0.782 17577 706 1 1 . 1 1 129 129 PHE N N 129 120.300 120.300 120.404 -0.104 17577 707 1 1 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.101 -0.091 17577 708 1 1 . 1 1 129 129 PHE C C 129 176.100 176.100 177.339 -1.239 17577 709 1 1 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.188 2.112 17577 710 1 1 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.608 2.292 17577 711 1 1 . 1 1 129 129 PHE H H 129 8.250 8.250 7.605 0.645 17577 712 1 1 . 1 1 130 130 ARG N N 130 116.300 116.300 118.890 -2.590 17577 713 1 1 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.601 -0.041 17577 714 1 1 . 1 1 130 130 ARG C C 130 179.400 179.400 178.204 1.196 17577 715 1 1 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.183 1.917 17577 716 1 1 . 1 1 130 130 ARG CB C 130 30.600 30.600 29.961 0.639 17577 717 1 1 . 1 1 130 130 ARG H H 130 8.650 8.650 7.833 0.817 17577 718 1 1 . 1 1 131 131 LYS N N 131 122.200 122.200 121.292 0.908 17577 719 1 1 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.953 0.077 17577 720 1 1 . 1 1 131 131 LYS C C 131 179.300 179.300 178.892 0.408 17577 721 1 1 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.744 0.756 17577 722 1 1 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.271 0.929 17577 723 1 1 . 1 1 131 131 LYS H H 131 8.020 8.020 8.033 -0.013 17577 724 1 1 . 1 1 132 132 LEU N N 132 120.300 120.300 119.033 1.267 17577 725 1 1 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.021 -0.091 17577 726 1 1 . 1 1 132 132 LEU C C 132 179.600 179.600 179.060 0.540 17577 727 1 1 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.881 0.719 17577 728 1 1 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.225 1.275 17577 729 1 1 . 1 1 132 132 LEU H H 132 8.450 8.450 7.740 0.710 17577 730 1 1 . 1 1 133 133 ALA N N 133 122.400 122.400 120.374 2.026 17577 731 1 1 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.669 0.301 17577 732 1 1 . 1 1 133 133 ALA C C 133 180.400 180.400 179.849 0.551 17577 733 1 1 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.766 1.234 17577 734 1 1 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.965 -1.065 17577 735 1 1 . 1 1 133 133 ALA H H 133 8.750 8.750 7.672 1.078 17577 736 1 1 . 1 1 134 134 GLY N N 134 107.400 107.400 106.586 0.814 17577 737 1 1 . 1 1 134 134 GLY C C 134 178.200 178.200 176.873 1.327 17577 738 1 1 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.813 1.287 17577 739 1 1 . 1 1 134 134 GLY H H 134 8.130 8.130 8.392 -0.262 17577 740 1 1 . 1 1 135 135 GLU N N 135 121.900 121.900 121.394 0.506 17577 741 1 1 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.123 -0.073 17577 742 1 1 . 1 1 135 135 GLU C C 135 177.400 177.400 177.947 -0.547 17577 743 1 1 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.545 0.755 17577 744 1 1 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.436 0.964 17577 745 1 1 . 1 1 135 135 GLU H H 135 7.730 7.730 7.801 -0.071 17577 746 1 1 . 1 1 136 136 ARG N N 136 118.000 118.000 117.251 0.749 17577 747 1 1 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.378 -0.228 17577 748 1 1 . 1 1 136 136 ARG C C 136 173.500 173.500 175.322 -1.822 17577 749 1 1 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.124 0.676 17577 750 1 1 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.015 -1.115 17577 751 1 1 . 1 1 136 136 ARG H H 136 7.130 7.130 7.207 -0.077 17577 752 1 1 . 1 1 137 137 ASN N N 137 109.600 109.600 115.073 -5.473 17577 753 1 1 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.405 -0.255 17577 754 1 1 . 1 1 137 137 ASN C C 137 174.200 174.200 174.477 -0.277 17577 755 1 1 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.343 1.657 17577 756 1 1 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.727 0.473 17577 757 1 1 . 1 1 137 137 ASN H H 137 7.560 7.560 8.387 -0.827 17577 758 1 1 . 1 1 138 138 TYR N N 138 118.600 118.600 118.009 0.591 17577 759 1 1 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.621 0.669 17577 760 1 1 . 1 1 138 138 TYR C C 138 175.900 175.900 176.203 -0.303 17577 761 1 1 . 1 1 138 138 TYR CA C 138 57.700 57.700 57.771 -0.071 17577 762 1 1 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.683 -2.083 17577 763 1 1 . 1 1 138 138 TYR H H 138 8.020 8.020 8.000 0.020 17577 764 1 1 . 1 1 139 139 THR N N 139 115.000 115.000 111.914 3.086 17577 765 1 1 . 1 1 139 139 THR HA H 139 4.420 4.420 4.442 -0.022 17577 766 1 1 . 1 1 139 139 THR C C 139 175.500 175.500 175.309 0.191 17577 767 1 1 . 1 1 139 139 THR CA C 139 61.400 61.400 58.814 2.586 17577 768 1 1 . 1 1 139 139 THR CB C 139 71.400 71.400 71.846 -0.445 17577 769 1 1 . 1 1 139 139 THR H H 139 7.740 7.740 7.689 0.051 17577 770 1 1 . 1 1 140 140 ASP N N 140 117.900 117.900 124.210 -6.310 17577 771 1 1 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.257 0.003 17577 772 1 1 . 1 1 140 140 ASP C C 140 178.400 178.400 178.074 0.326 17577 773 1 1 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.511 1.489 17577 774 1 1 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.003 1.797 17577 775 1 1 . 1 1 140 140 ASP H H 140 8.630 8.630 8.863 -0.233 17577 776 1 1 . 1 1 141 141 GLU N N 141 116.800 116.800 118.521 -1.721 17577 777 1 1 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.074 0.196 17577 778 1 1 . 1 1 141 141 GLU C C 141 176.200 176.200 177.659 -1.459 17577 779 1 1 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.294 0.806 17577 780 1 1 . 1 1 141 141 GLU CB C 141 30.100 30.100 28.756 1.344 17577 781 1 1 . 1 1 141 141 GLU H H 141 8.500 8.500 8.034 0.466 17577 782 1 1 . 1 1 142 142 MET N N 142 117.400 117.400 116.128 1.272 17577 783 1 1 . 1 1 142 142 MET HA H 142 4.490 4.490 4.374 0.116 17577 784 1 1 . 1 1 142 142 MET C C 142 172.900 172.900 175.727 -2.827 17577 785 1 1 . 1 1 142 142 MET CA C 142 57.100 57.100 56.999 0.101 17577 786 1 1 . 1 1 142 142 MET CB C 142 33.400 33.400 33.535 -0.135 17577 787 1 1 . 1 1 142 142 MET H H 142 7.960 7.960 7.816 0.144 17577 788 1 1 . 1 1 143 143 VAL N N 143 116.800 116.800 119.355 -2.555 17577 789 1 1 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.982 -0.192 17577 790 1 1 . 1 1 143 143 VAL C C 143 175.600 175.600 174.165 1.435 17577 791 1 1 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.698 2.502 17577 792 1 1 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.040 0.460 17577 793 1 1 . 1 1 143 143 VAL H H 143 7.120 7.120 7.839 -0.719 17577 794 1 1 . 1 1 144 144 ALA N N 144 131.000 131.000 132.463 -1.463 17577 795 1 1 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.820 -0.010 17577 796 1 1 . 1 1 144 144 ALA C C 144 175.800 175.800 176.486 -0.686 17577 797 1 1 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.640 0.860 17577 798 1 1 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.544 1.056 17577 799 1 1 . 1 1 144 144 ALA H H 144 9.600 9.600 8.286 1.314 17577 800 1 1 . 1 1 145 145 MET N N 145 122.400 122.400 122.870 -0.470 17577 801 1 1 . 1 1 145 145 MET HA H 145 4.890 4.890 4.553 0.337 17577 802 1 1 . 1 1 145 145 MET C C 145 176.900 176.900 175.997 0.903 17577 803 1 1 . 1 1 145 145 MET CA C 145 54.000 54.000 54.301 -0.301 17577 804 1 1 . 1 1 145 145 MET CB C 145 30.100 30.100 32.091 -1.991 17577 805 1 1 . 1 1 145 145 MET H H 145 8.630 8.630 8.698 -0.068 17577 806 1 1 . 1 1 146 146 LEU N N 146 125.400 125.400 126.225 -0.825 17577 807 1 1 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.849 -0.309 17577 808 1 1 . 1 1 146 146 LEU C C 146 174.500 174.500 174.700 -0.200 17577 809 1 1 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.491 2.409 17577 810 1 1 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.216 -1.416 17577 811 1 1 . 1 1 146 146 LEU H H 146 7.880 7.880 8.486 -0.606 17577 812 1 1 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.809 -0.229 17577 813 1 1 . 1 1 147 147 PRO C C 147 176.200 176.200 177.190 -0.990 17577 814 1 1 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.081 1.219 17577 815 1 1 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.179 0.421 17577 816 1 1 . 1 1 148 148 ARG N N 148 120.700 120.700 117.466 3.234 17577 817 1 1 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.081 0.189 17577 818 1 1 . 1 1 148 148 ARG C C 148 175.500 175.500 175.976 -0.476 17577 819 1 1 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.414 0.886 17577 820 1 1 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.866 2.534 17577 821 1 1 . 1 1 148 148 ARG H H 148 8.540 8.540 8.640 -0.100 17577 822 1 1 . 1 1 149 149 GLN N N 149 115.000 115.000 120.718 -5.718 17577 823 1 1 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.155 0.565 17577 824 1 1 . 1 1 149 149 GLN C C 149 174.300 174.300 175.128 -0.828 17577 825 1 1 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.767 -0.867 17577 826 1 1 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.088 0.612 17577 827 1 1 . 1 1 149 149 GLN H H 149 7.770 7.770 8.051 -0.281 17577 828 1 1 . 1 1 150 150 GLU N N 150 117.800 117.800 122.558 -4.758 17577 829 1 1 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.526 -0.056 17577 830 1 1 . 1 1 150 150 GLU C C 150 175.800 175.800 175.518 0.282 17577 831 1 1 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.339 0.961 17577 832 1 1 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.285 1.115 17577 833 1 1 . 1 1 150 150 GLU H H 150 8.570 8.570 8.501 0.069 17577 834 1 1 . 1 1 151 151 GLU N N 151 119.200 119.200 120.783 -1.583 17577 835 1 1 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.477 -0.217 17577 836 1 1 . 1 1 151 151 GLU C C 151 176.000 176.000 175.487 0.513 17577 837 1 1 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.017 2.483 17577 838 1 1 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.475 1.725 17577 839 1 1 . 1 1 151 151 GLU H H 151 8.000 8.000 8.940 -0.940 17577 840 1 1 . 1 1 152 152 CYS N N 152 122.100 122.100 118.263 3.837 17577 841 1 1 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.966 0.174 17577 842 1 1 . 1 1 152 152 CYS C C 152 172.800 172.800 173.266 -0.466 17577 843 1 1 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.989 -3.989 17577 844 1 1 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.465 4.435 17577 845 1 1 . 1 1 152 152 CYS H H 152 9.620 9.620 7.946 1.674 17577 846 1 1 . 1 1 153 153 THR N N 153 118.000 118.000 113.522 4.478 17577 847 1 1 . 1 1 153 153 THR HA H 153 4.860 4.860 4.583 0.277 17577 848 1 1 . 1 1 153 153 THR C C 153 173.000 173.000 172.946 0.054 17577 849 1 1 . 1 1 153 153 THR CA C 153 59.800 59.800 61.465 -1.665 17577 850 1 1 . 1 1 153 153 THR CB C 153 72.500 72.500 70.299 2.201 17577 851 1 1 . 1 1 153 153 THR H H 153 8.490 8.490 8.037 0.453 17577 852 1 1 . 1 1 154 154 VAL N N 154 114.900 114.900 119.835 -4.935 17577 853 1 1 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.474 -0.354 17577 854 1 1 . 1 1 154 154 VAL C C 154 175.500 175.500 174.698 0.802 17577 855 1 1 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.146 0.854 17577 856 1 1 . 1 1 154 154 VAL CB C 154 33.100 33.100 33.478 -0.378 17577 857 1 1 . 1 1 154 154 VAL H H 154 6.920 6.920 8.208 -1.288 17577 858 1 1 . 1 1 155 155 ASP N N 155 124.100 124.100 123.592 0.508 17577 859 1 1 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.720 -0.230 17577 860 1 1 . 1 1 155 155 ASP C C 155 175.800 175.800 175.188 0.612 17577 861 1 1 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.120 2.580 17577 862 1 1 . 1 1 155 155 ASP CB C 155 42.300 42.300 43.370 -1.070 17577 863 1 1 . 1 1 155 155 ASP H H 155 8.390 8.390 8.327 0.063 17577 864 1 1 . 1 1 156 156 GLU N N 156 121.000 121.000 119.751 1.249 17577 865 1 1 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.207 -0.037 17577 866 1 1 . 1 1 156 156 GLU C C 156 175.400 175.400 178.262 -2.862 17577 867 1 1 . 1 1 156 156 GLU CA C 156 57.500 57.500 56.451 1.049 17577 868 1 1 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.105 2.295 17577 869 1 1 . 1 1 156 156 GLU H H 156 8.450 8.450 8.478 -0.028 17577 870 1 2 . 1 1 4 4 PRO C C 4 175.800 175.800 175.942 -0.142 17577 871 1 2 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.765 0.535 17577 872 1 2 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.528 0.472 17577 873 1 2 . 1 1 5 5 ASP N N 5 119.400 119.400 120.943 -1.543 17577 874 1 2 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.542 -0.032 17577 875 1 2 . 1 1 5 5 ASP C C 5 177.100 177.100 177.941 -0.841 17577 876 1 2 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.149 0.651 17577 877 1 2 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.340 1.060 17577 878 1 2 . 1 1 5 5 ASP H H 5 8.090 8.090 8.582 -0.492 17577 879 1 2 . 1 1 6 6 ARG N N 6 124.800 124.800 128.414 -3.614 17577 880 1 2 . 1 1 6 6 ARG C C 6 177.300 177.300 177.233 0.067 17577 881 1 2 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.289 0.711 17577 882 1 2 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.198 1.302 17577 883 1 2 . 1 1 6 6 ARG H H 6 8.590 8.590 8.732 -0.142 17577 884 1 2 . 1 1 7 7 SER N N 7 113.800 113.800 115.776 -1.976 17577 885 1 2 . 1 1 7 7 SER CA C 7 62.400 62.400 61.871 0.529 17577 886 1 2 . 1 1 7 7 SER CB C 7 63.800 63.800 62.877 0.923 17577 887 1 2 . 1 1 7 7 SER H H 7 8.240 8.240 8.308 -0.068 17577 888 1 2 . 1 1 8 8 GLU N N 8 120.200 120.200 120.256 -0.056 17577 889 1 2 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.085 0.245 17577 890 1 2 . 1 1 8 8 GLU C C 8 177.100 177.100 177.692 -0.592 17577 891 1 2 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.725 -0.025 17577 892 1 2 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.814 1.086 17577 893 1 2 . 1 1 8 8 GLU H H 8 8.030 8.030 7.515 0.515 17577 894 1 2 . 1 1 9 9 ILE N N 9 112.800 112.800 117.934 -5.134 17577 895 1 2 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.825 0.525 17577 896 1 2 . 1 1 9 9 ILE C C 9 175.000 175.000 175.196 -0.196 17577 897 1 2 . 1 1 9 9 ILE CA C 9 63.400 63.400 62.076 1.324 17577 898 1 2 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.115 1.885 17577 899 1 2 . 1 1 9 9 ILE H H 9 7.530 7.530 7.250 0.280 17577 900 1 2 . 1 1 10 10 ALA N N 10 120.400 120.400 121.794 -1.394 17577 901 1 2 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.569 -0.499 17577 902 1 2 . 1 1 10 10 ALA C C 10 177.500 177.500 177.091 0.409 17577 903 1 2 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.758 0.242 17577 904 1 2 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.197 1.204 17577 905 1 2 . 1 1 10 10 ALA H H 10 7.410 7.410 8.195 -0.785 17577 906 1 2 . 1 1 11 11 GLY N N 11 108.300 108.300 110.110 -1.810 17577 907 1 2 . 1 1 11 11 GLY C C 11 173.700 173.700 173.695 0.005 17577 908 1 2 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.025 0.275 17577 909 1 2 . 1 1 11 11 GLY H H 11 8.780 8.780 8.378 0.402 17577 910 1 2 . 1 1 12 12 LYS N N 12 122.300 122.300 121.920 0.380 17577 911 1 2 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.907 -0.077 17577 912 1 2 . 1 1 12 12 LYS C C 12 175.900 175.900 174.905 0.995 17577 913 1 2 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.311 1.989 17577 914 1 2 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.711 0.289 17577 915 1 2 . 1 1 12 12 LYS H H 12 8.740 8.740 7.644 1.096 17577 916 1 2 . 1 1 13 13 TRP N N 13 126.000 126.000 127.304 -1.304 17577 917 1 2 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.153 -0.523 17577 918 1 2 . 1 1 13 13 TRP C C 13 173.300 173.300 174.742 -1.442 17577 919 1 2 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.010 1.690 17577 920 1 2 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.239 4.160 17577 921 1 2 . 1 1 13 13 TRP H H 13 9.440 9.440 9.745 -0.305 17577 922 1 2 . 1 1 14 14 TYR N N 14 118.300 118.300 123.601 -5.301 17577 923 1 2 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.959 0.091 17577 924 1 2 . 1 1 14 14 TYR C C 14 175.400 175.400 175.034 0.366 17577 925 1 2 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.285 1.515 17577 926 1 2 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.560 0.940 17577 927 1 2 . 1 1 14 14 TYR H H 14 9.370 9.370 8.805 0.565 17577 928 1 2 . 1 1 15 15 VAL N N 15 124.200 124.200 126.124 -1.924 17577 929 1 2 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.431 -0.391 17577 930 1 2 . 1 1 15 15 VAL C C 15 175.500 175.500 175.463 0.037 17577 931 1 2 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.428 0.272 17577 932 1 2 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.123 0.277 17577 933 1 2 . 1 1 15 15 VAL H H 15 9.000 9.000 8.811 0.189 17577 934 1 2 . 1 1 16 16 VAL N N 16 114.600 114.600 120.242 -5.642 17577 935 1 2 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.539 0.111 17577 936 1 2 . 1 1 16 16 VAL C C 16 175.900 175.900 173.719 2.181 17577 937 1 2 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.879 1.321 17577 938 1 2 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.875 0.725 17577 939 1 2 . 1 1 16 16 VAL H H 16 8.420 8.420 8.886 -0.466 17577 940 1 2 . 1 1 17 17 ALA N N 17 122.900 122.900 121.040 1.860 17577 941 1 2 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.169 0.101 17577 942 1 2 . 1 1 17 17 ALA C C 17 174.200 174.200 174.297 -0.097 17577 943 1 2 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.306 0.794 17577 944 1 2 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.348 2.752 17577 945 1 2 . 1 1 17 17 ALA H H 17 7.590 7.590 7.518 0.072 17577 946 1 2 . 1 1 18 18 LEU N N 18 118.000 118.000 123.139 -5.139 17577 947 1 2 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.356 0.084 17577 948 1 2 . 1 1 18 18 LEU C C 18 176.100 176.100 174.045 2.055 17577 949 1 2 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.074 -0.074 17577 950 1 2 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.665 3.135 17577 951 1 2 . 1 1 18 18 LEU H H 18 8.570 8.570 8.051 0.519 17577 952 1 2 . 1 1 19 19 ALA N N 19 120.300 120.300 124.832 -4.532 17577 953 1 2 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.798 -0.368 17577 954 1 2 . 1 1 19 19 ALA C C 19 174.400 174.400 176.454 -2.054 17577 955 1 2 . 1 1 19 19 ALA CA C 19 52.700 52.700 49.956 2.744 17577 956 1 2 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.756 0.344 17577 957 1 2 . 1 1 19 19 ALA H H 19 8.360 8.360 9.197 -0.837 17577 958 1 2 . 1 1 20 20 SER N N 20 114.200 114.200 113.031 1.169 17577 959 1 2 . 1 1 20 20 SER HA H 20 3.890 3.890 4.557 -0.667 17577 960 1 2 . 1 1 20 20 SER C C 20 170.700 170.700 172.889 -2.189 17577 961 1 2 . 1 1 20 20 SER CA C 20 57.200 57.200 58.018 -0.818 17577 962 1 2 . 1 1 20 20 SER CB C 20 64.200 64.200 66.075 -1.875 17577 963 1 2 . 1 1 20 20 SER H H 20 7.450 7.450 8.268 -0.818 17577 964 1 2 . 1 1 21 21 ASN N N 21 117.500 117.500 118.272 -0.772 17577 965 1 2 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.841 0.379 17577 966 1 2 . 1 1 21 21 ASN C C 21 176.500 176.500 174.999 1.501 17577 967 1 2 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.250 -0.750 17577 968 1 2 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.615 -0.315 17577 969 1 2 . 1 1 21 21 ASN H H 21 7.980 7.980 8.531 -0.551 17577 970 1 2 . 1 1 22 22 THR N N 22 112.100 112.100 117.085 -4.985 17577 971 1 2 . 1 1 22 22 THR HA H 22 4.420 4.420 4.109 0.311 17577 972 1 2 . 1 1 22 22 THR C C 22 174.800 174.800 174.860 -0.060 17577 973 1 2 . 1 1 22 22 THR CA C 22 63.200 63.200 61.102 2.099 17577 974 1 2 . 1 1 22 22 THR CB C 22 71.800 71.800 69.352 2.448 17577 975 1 2 . 1 1 22 22 THR H H 22 8.140 8.140 7.777 0.363 17577 976 1 2 . 1 1 23 23 GLU N N 23 122.700 122.700 130.275 -7.575 17577 977 1 2 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.832 0.918 17577 978 1 2 . 1 1 23 23 GLU C C 23 178.800 178.800 177.439 1.361 17577 979 1 2 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.231 2.069 17577 980 1 2 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.436 0.864 17577 981 1 2 . 1 1 23 23 GLU H H 23 8.980 8.980 8.656 0.324 17577 982 1 2 . 1 1 24 24 PHE N N 24 118.200 118.200 117.595 0.605 17577 983 1 2 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.168 -0.188 17577 984 1 2 . 1 1 24 24 PHE C C 24 175.900 175.900 177.832 -1.932 17577 985 1 2 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.218 2.682 17577 986 1 2 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.761 2.939 17577 987 1 2 . 1 1 24 24 PHE H H 24 8.610 8.610 6.616 1.994 17577 988 1 2 . 1 1 25 25 PHE N N 25 119.000 119.000 119.479 -0.479 17577 989 1 2 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.205 -0.365 17577 990 1 2 . 1 1 25 25 PHE C C 25 176.500 176.500 177.157 -0.657 17577 991 1 2 . 1 1 25 25 PHE CA C 25 62.800 62.800 62.093 0.707 17577 992 1 2 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.398 1.002 17577 993 1 2 . 1 1 25 25 PHE H H 25 7.730 7.730 7.947 -0.217 17577 994 1 2 . 1 1 26 26 LEU N N 26 115.900 115.900 118.045 -2.145 17577 995 1 2 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.209 -0.479 17577 996 1 2 . 1 1 26 26 LEU C C 26 179.200 179.200 178.564 0.636 17577 997 1 2 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.407 0.293 17577 998 1 2 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.133 0.867 17577 999 1 2 . 1 1 26 26 LEU H H 26 8.380 8.380 7.720 0.660 17577 1000 1 2 . 1 1 27 27 ARG N N 27 116.900 116.900 119.896 -2.996 17577 1001 1 2 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.954 0.156 17577 1002 1 2 . 1 1 27 27 ARG C C 27 178.400 178.400 177.789 0.611 17577 1003 1 2 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.316 -0.115 17577 1004 1 2 . 1 1 27 27 ARG CB C 27 32.100 32.100 29.962 2.138 17577 1005 1 2 . 1 1 27 27 ARG H H 27 7.720 7.720 8.228 -0.508 17577 1006 1 2 . 1 1 28 28 GLU N N 28 116.000 116.000 117.680 -1.680 17577 1007 1 2 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.228 0.132 17577 1008 1 2 . 1 1 28 28 GLU C C 28 178.200 178.200 178.889 -0.689 17577 1009 1 2 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.450 -1.750 17577 1010 1 2 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.820 1.080 17577 1011 1 2 . 1 1 28 28 GLU H H 28 7.660 7.660 7.633 0.027 17577 1012 1 2 . 1 1 29 29 LYS N N 29 120.700 120.700 120.464 0.236 17577 1013 1 2 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.005 0.135 17577 1014 1 2 . 1 1 29 29 LYS C C 29 177.900 177.900 178.335 -0.435 17577 1015 1 2 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.491 1.409 17577 1016 1 2 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.185 -0.785 17577 1017 1 2 . 1 1 29 29 LYS H H 29 7.910 7.910 8.444 -0.534 17577 1018 1 2 . 1 1 30 30 ASP N N 30 118.800 118.800 116.827 1.973 17577 1019 1 2 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.503 -0.113 17577 1020 1 2 . 1 1 30 30 ASP C C 30 177.000 177.000 177.244 -0.244 17577 1021 1 2 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.065 1.135 17577 1022 1 2 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.979 -0.379 17577 1023 1 2 . 1 1 30 30 ASP H H 30 8.390 8.390 7.854 0.536 17577 1024 1 2 . 1 1 31 31 LYS N N 31 118.000 118.000 117.124 0.876 17577 1025 1 2 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.294 0.096 17577 1026 1 2 . 1 1 31 31 LYS C C 31 177.200 177.200 177.065 0.135 17577 1027 1 2 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.636 0.364 17577 1028 1 2 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.807 1.393 17577 1029 1 2 . 1 1 31 31 LYS H H 31 8.110 8.110 8.086 0.024 17577 1030 1 2 . 1 1 32 32 MET N N 32 120.300 120.300 117.069 3.231 17577 1031 1 2 . 1 1 32 32 MET HA H 32 4.520 4.520 4.620 -0.100 17577 1032 1 2 . 1 1 32 32 MET C C 32 176.200 176.200 174.707 1.493 17577 1033 1 2 . 1 1 32 32 MET CA C 32 58.000 58.000 55.066 2.934 17577 1034 1 2 . 1 1 32 32 MET CB C 32 33.500 33.500 34.125 -0.625 17577 1035 1 2 . 1 1 32 32 MET H H 32 7.240 7.240 7.444 -0.204 17577 1036 1 2 . 1 1 33 33 LYS N N 33 120.200 120.200 117.531 2.669 17577 1037 1 2 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.538 0.162 17577 1038 1 2 . 1 1 33 33 LYS C C 33 173.000 173.000 176.111 -3.111 17577 1039 1 2 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.724 1.376 17577 1040 1 2 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.907 4.193 17577 1041 1 2 . 1 1 33 33 LYS H H 33 8.560 8.560 8.190 0.370 17577 1042 1 2 . 1 1 34 34 MET N N 34 118.300 118.300 120.543 -2.243 17577 1043 1 2 . 1 1 34 34 MET HA H 34 4.080 4.080 4.150 -0.070 17577 1044 1 2 . 1 1 34 34 MET C C 34 173.800 173.800 175.016 -1.216 17577 1045 1 2 . 1 1 34 34 MET CA C 34 59.500 59.500 57.068 2.432 17577 1046 1 2 . 1 1 34 34 MET CB C 34 35.700 35.700 33.240 2.460 17577 1047 1 2 . 1 1 34 34 MET H H 34 8.370 8.370 7.832 0.538 17577 1048 1 2 . 1 1 35 35 ALA N N 35 126.000 126.000 126.312 -0.312 17577 1049 1 2 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.171 0.089 17577 1050 1 2 . 1 1 35 35 ALA C C 35 176.100 176.100 175.824 0.276 17577 1051 1 2 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.036 0.564 17577 1052 1 2 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.538 1.262 17577 1053 1 2 . 1 1 35 35 ALA H H 35 7.360 7.360 8.469 -1.109 17577 1054 1 2 . 1 1 36 36 MET N N 36 117.100 117.100 114.609 2.491 17577 1055 1 2 . 1 1 36 36 MET HA H 36 5.280 5.280 5.554 -0.274 17577 1056 1 2 . 1 1 36 36 MET C C 36 172.600 172.600 174.740 -2.140 17577 1057 1 2 . 1 1 36 36 MET CA C 36 56.100 56.100 52.514 3.586 17577 1058 1 2 . 1 1 36 36 MET CB C 36 39.600 39.600 36.524 3.076 17577 1059 1 2 . 1 1 36 36 MET H H 36 8.920 8.920 8.790 0.130 17577 1060 1 2 . 1 1 37 37 ALA N N 37 121.700 121.700 120.760 0.940 17577 1061 1 2 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.956 0.474 17577 1062 1 2 . 1 1 37 37 ALA C C 37 175.400 175.400 174.777 0.623 17577 1063 1 2 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.751 -0.551 17577 1064 1 2 . 1 1 37 37 ALA CB C 37 24.400 24.400 23.100 1.300 17577 1065 1 2 . 1 1 37 37 ALA H H 37 8.980 8.980 9.237 -0.257 17577 1066 1 2 . 1 1 38 38 ARG N N 38 120.400 120.400 121.028 -0.628 17577 1067 1 2 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.816 0.334 17577 1068 1 2 . 1 1 38 38 ARG C C 38 174.900 174.900 173.887 1.013 17577 1069 1 2 . 1 1 38 38 ARG CA C 38 55.200 55.200 54.735 0.465 17577 1070 1 2 . 1 1 38 38 ARG CB C 38 34.600 34.600 32.840 1.760 17577 1071 1 2 . 1 1 38 38 ARG H H 38 9.180 9.180 7.986 1.194 17577 1072 1 2 . 1 1 39 39 ILE N N 39 126.000 126.000 125.872 0.128 17577 1073 1 2 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.934 -0.014 17577 1074 1 2 . 1 1 39 39 ILE C C 39 175.100 175.100 174.255 0.845 17577 1075 1 2 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.224 0.976 17577 1076 1 2 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.479 0.921 17577 1077 1 2 . 1 1 39 39 ILE H H 39 8.930 8.930 8.511 0.419 17577 1078 1 2 . 1 1 40 40 SER N N 40 121.700 121.700 120.474 1.226 17577 1079 1 2 . 1 1 40 40 SER HA H 40 4.630 4.630 4.725 -0.095 17577 1080 1 2 . 1 1 40 40 SER CA C 40 57.900 57.900 56.905 0.995 17577 1081 1 2 . 1 1 40 40 SER CB C 40 66.300 66.300 66.156 0.145 17577 1082 1 2 . 1 1 40 40 SER H H 40 8.780 8.780 7.881 0.899 17577 1083 1 2 . 1 1 41 41 PHE N N 41 122.300 122.300 121.913 0.387 17577 1084 1 2 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.731 -0.081 17577 1085 1 2 . 1 1 41 41 PHE C C 41 175.900 175.900 176.007 -0.107 17577 1086 1 2 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.538 2.562 17577 1087 1 2 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.001 2.699 17577 1088 1 2 . 1 1 41 41 PHE H H 41 9.080 9.080 9.072 0.008 17577 1089 1 2 . 1 1 42 42 LEU N N 42 125.100 125.100 123.963 1.137 17577 1090 1 2 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.098 0.532 17577 1091 1 2 . 1 1 42 42 LEU C C 42 176.400 176.400 177.510 -1.110 17577 1092 1 2 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.331 -0.831 17577 1093 1 2 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.367 1.433 17577 1094 1 2 . 1 1 42 42 LEU H H 42 8.540 8.540 8.064 0.476 17577 1095 1 2 . 1 1 43 43 GLY N N 43 108.700 108.700 102.936 5.764 17577 1096 1 2 . 1 1 43 43 GLY C C 43 173.700 173.700 173.759 -0.059 17577 1097 1 2 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.954 0.946 17577 1098 1 2 . 1 1 43 43 GLY H H 43 8.310 8.310 7.892 0.418 17577 1099 1 2 . 1 1 44 44 GLU N N 44 120.300 120.300 120.296 0.004 17577 1100 1 2 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.199 -0.089 17577 1101 1 2 . 1 1 44 44 GLU C C 44 177.200 177.200 176.176 1.024 17577 1102 1 2 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.225 0.375 17577 1103 1 2 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.808 0.992 17577 1104 1 2 . 1 1 44 44 GLU H H 44 8.900 8.900 8.950 -0.050 17577 1105 1 2 . 1 1 45 45 ASP N N 45 115.200 115.200 113.735 1.465 17577 1106 1 2 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.921 -0.051 17577 1107 1 2 . 1 1 45 45 ASP C C 45 174.500 174.500 175.993 -1.493 17577 1108 1 2 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.724 1.076 17577 1109 1 2 . 1 1 45 45 ASP CB C 45 42.700 42.700 41.032 1.668 17577 1110 1 2 . 1 1 45 45 ASP H H 45 8.500 8.500 8.277 0.223 17577 1111 1 2 . 1 1 46 46 GLU N N 46 117.800 117.800 120.420 -2.620 17577 1112 1 2 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.692 0.878 17577 1113 1 2 . 1 1 46 46 GLU C C 46 174.800 174.800 174.438 0.362 17577 1114 1 2 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.230 0.070 17577 1115 1 2 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.496 2.504 17577 1116 1 2 . 1 1 46 46 GLU H H 46 7.450 7.450 8.439 -0.989 17577 1117 1 2 . 1 1 47 47 LEU N N 47 124.200 124.200 124.668 -0.468 17577 1118 1 2 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.080 -0.200 17577 1119 1 2 . 1 1 47 47 LEU C C 47 173.900 173.900 175.144 -1.244 17577 1120 1 2 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.055 2.245 17577 1121 1 2 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.910 0.190 17577 1122 1 2 . 1 1 47 47 LEU H H 47 9.160 9.160 9.422 -0.262 17577 1123 1 2 . 1 1 48 48 LYS N N 48 123.800 123.800 123.257 0.543 17577 1124 1 2 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.555 0.395 17577 1125 1 2 . 1 1 48 48 LYS C C 48 174.300 174.300 174.468 -0.168 17577 1126 1 2 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.500 0.500 17577 1127 1 2 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.411 1.389 17577 1128 1 2 . 1 1 48 48 LYS H H 48 9.020 9.020 8.436 0.584 17577 1129 1 2 . 1 1 49 49 VAL N N 49 126.600 126.600 126.321 0.279 17577 1130 1 2 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.848 -0.238 17577 1131 1 2 . 1 1 49 49 VAL C C 49 173.800 173.800 173.985 -0.185 17577 1132 1 2 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.681 1.619 17577 1133 1 2 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.308 -0.008 17577 1134 1 2 . 1 1 49 49 VAL H H 49 8.920 8.920 8.689 0.231 17577 1135 1 2 . 1 1 50 50 SER N N 50 120.900 120.900 119.126 1.774 17577 1136 1 2 . 1 1 50 50 SER HA H 50 4.860 4.860 4.202 0.658 17577 1137 1 2 . 1 1 50 50 SER CA C 50 57.300 57.300 55.813 1.487 17577 1138 1 2 . 1 1 50 50 SER CB C 50 65.100 65.100 64.849 0.251 17577 1139 1 2 . 1 1 50 50 SER H H 50 8.360 8.360 8.162 0.198 17577 1140 1 2 . 1 1 51 51 TYR N N 51 122.000 122.000 122.056 -0.056 17577 1141 1 2 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.082 -0.232 17577 1142 1 2 . 1 1 51 51 TYR C C 51 176.800 176.800 173.974 2.826 17577 1143 1 2 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.064 2.136 17577 1144 1 2 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.358 1.242 17577 1145 1 2 . 1 1 51 51 TYR H H 51 8.990 8.990 7.761 1.229 17577 1146 1 2 . 1 1 52 52 ALA N N 52 124.000 124.000 125.451 -1.451 17577 1147 1 2 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.927 -0.057 17577 1148 1 2 . 1 1 52 52 ALA C C 52 174.800 174.800 175.281 -0.481 17577 1149 1 2 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.836 2.164 17577 1150 1 2 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.222 0.578 17577 1151 1 2 . 1 1 52 52 ALA H H 52 8.640 8.640 9.463 -0.823 17577 1152 1 2 . 1 1 53 53 VAL N N 53 124.300 124.300 125.177 -0.877 17577 1153 1 2 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.667 0.103 17577 1154 1 2 . 1 1 53 53 VAL C C 53 174.200 174.200 173.963 0.237 17577 1155 1 2 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.559 0.740 17577 1156 1 2 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.648 1.852 17577 1157 1 2 . 1 1 53 53 VAL H H 53 9.120 9.120 8.383 0.737 17577 1158 1 2 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.552 0.148 17577 1159 1 2 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.291 2.409 17577 1160 1 2 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.870 0.030 17577 1161 1 2 . 1 1 55 55 LYS N N 55 121.100 121.100 119.241 1.859 17577 1162 1 2 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.677 0.253 17577 1163 1 2 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.403 0.197 17577 1164 1 2 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.790 -0.390 17577 1165 1 2 . 1 1 55 55 LYS H H 55 8.040 8.040 8.192 -0.152 17577 1166 1 2 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.238 0.042 17577 1167 1 2 . 1 1 56 56 PRO C C 56 177.200 177.200 176.694 0.506 17577 1168 1 2 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.001 1.399 17577 1169 1 2 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.891 0.409 17577 1170 1 2 . 1 1 57 57 ASN N N 57 114.200 114.200 115.037 -0.837 17577 1171 1 2 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.815 -0.095 17577 1172 1 2 . 1 1 57 57 ASN C C 57 174.900 174.900 174.858 0.042 17577 1173 1 2 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.004 1.996 17577 1174 1 2 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.057 0.243 17577 1175 1 2 . 1 1 57 57 ASN H H 57 8.370 8.370 8.080 0.290 17577 1176 1 2 . 1 1 58 58 GLY N N 58 106.500 106.500 106.744 -0.244 17577 1177 1 2 . 1 1 58 58 GLY C C 58 172.000 172.000 170.896 1.104 17577 1178 1 2 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.998 2.002 17577 1179 1 2 . 1 1 58 58 GLY H H 58 7.810 7.810 8.141 -0.331 17577 1180 1 2 . 1 1 60 60 ARG N N 60 132.300 132.300 127.448 4.852 17577 1181 1 2 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.736 -0.156 17577 1182 1 2 . 1 1 60 60 ARG C C 60 174.000 174.000 174.278 -0.278 17577 1183 1 2 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.340 1.159 17577 1184 1 2 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.138 0.262 17577 1185 1 2 . 1 1 60 60 ARG H H 60 9.120 9.120 8.510 0.610 17577 1186 1 2 . 1 1 61 61 LYS N N 61 126.200 126.200 124.656 1.544 17577 1187 1 2 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.994 0.526 17577 1188 1 2 . 1 1 61 61 LYS C C 61 175.900 175.900 175.025 0.875 17577 1189 1 2 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.195 0.905 17577 1190 1 2 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.422 0.678 17577 1191 1 2 . 1 1 61 61 LYS H H 61 8.500 8.500 8.485 0.015 17577 1192 1 2 . 1 1 62 62 TRP N N 62 121.900 121.900 125.667 -3.767 17577 1193 1 2 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.960 -0.100 17577 1194 1 2 . 1 1 62 62 TRP C C 62 171.900 171.900 173.481 -1.581 17577 1195 1 2 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.484 1.216 17577 1196 1 2 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.931 0.368 17577 1197 1 2 . 1 1 62 62 TRP H H 62 8.070 8.070 8.938 -0.868 17577 1198 1 2 . 1 1 63 63 GLU N N 63 117.100 117.100 119.499 -2.399 17577 1199 1 2 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.078 1.532 17577 1200 1 2 . 1 1 63 63 GLU C C 63 175.500 175.500 174.200 1.300 17577 1201 1 2 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.097 1.103 17577 1202 1 2 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.463 2.637 17577 1203 1 2 . 1 1 63 63 GLU H H 63 8.450 8.450 7.836 0.614 17577 1204 1 2 . 1 1 64 64 THR N N 64 117.400 117.400 116.558 0.842 17577 1205 1 2 . 1 1 64 64 THR HA H 64 4.600 4.600 4.150 0.450 17577 1206 1 2 . 1 1 64 64 THR C C 64 171.800 171.800 172.681 -0.881 17577 1207 1 2 . 1 1 64 64 THR CA C 64 63.000 63.000 60.948 2.052 17577 1208 1 2 . 1 1 64 64 THR CB C 64 72.700 72.700 72.320 0.380 17577 1209 1 2 . 1 1 64 64 THR H H 64 8.980 8.980 7.945 1.035 17577 1210 1 2 . 1 1 65 65 THR N N 65 119.100 119.100 120.765 -1.665 17577 1211 1 2 . 1 1 65 65 THR HA H 65 5.260 5.260 4.522 0.738 17577 1212 1 2 . 1 1 65 65 THR C C 65 173.700 173.700 172.601 1.099 17577 1213 1 2 . 1 1 65 65 THR CA C 65 62.300 62.300 62.811 -0.511 17577 1214 1 2 . 1 1 65 65 THR CB C 65 71.100 71.100 69.794 1.306 17577 1215 1 2 . 1 1 65 65 THR H H 65 8.380 8.380 8.230 0.150 17577 1216 1 2 . 1 1 66 66 PHE N N 66 123.400 123.400 125.788 -2.388 17577 1217 1 2 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.678 0.152 17577 1218 1 2 . 1 1 66 66 PHE C C 66 174.200 174.200 173.641 0.559 17577 1219 1 2 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.727 1.373 17577 1220 1 2 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.277 3.323 17577 1221 1 2 . 1 1 66 66 PHE H H 66 9.590 9.590 9.497 0.093 17577 1222 1 2 . 1 1 67 67 LYS N N 67 119.700 119.700 121.873 -2.173 17577 1223 1 2 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.910 0.610 17577 1224 1 2 . 1 1 67 67 LYS C C 67 176.500 176.500 175.673 0.827 17577 1225 1 2 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.434 1.066 17577 1226 1 2 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.007 1.293 17577 1227 1 2 . 1 1 67 67 LYS H H 67 8.880 8.880 8.930 -0.050 17577 1228 1 2 . 1 1 68 68 LYS N N 68 129.100 129.100 125.565 3.535 17577 1229 1 2 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.488 0.392 17577 1230 1 2 . 1 1 68 68 LYS C C 68 177.400 177.400 176.721 0.679 17577 1231 1 2 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.533 1.167 17577 1232 1 2 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.186 2.114 17577 1233 1 2 . 1 1 68 68 LYS H H 68 8.850 8.850 8.330 0.520 17577 1234 1 2 . 1 1 69 69 THR N N 69 118.500 118.500 119.350 -0.850 17577 1235 1 2 . 1 1 69 69 THR HA H 69 4.710 4.710 4.640 0.070 17577 1236 1 2 . 1 1 69 69 THR C C 69 174.600 174.600 174.184 0.416 17577 1237 1 2 . 1 1 69 69 THR CA C 69 61.900 61.900 60.445 1.455 17577 1238 1 2 . 1 1 69 69 THR CB C 69 70.800 70.800 71.326 -0.526 17577 1239 1 2 . 1 1 69 69 THR H H 69 8.720 8.720 8.774 -0.054 17577 1240 1 2 . 1 1 70 70 SER N N 70 111.800 111.800 117.808 -6.008 17577 1241 1 2 . 1 1 70 70 SER HA H 70 4.420 4.420 4.624 -0.204 17577 1242 1 2 . 1 1 70 70 SER C C 70 174.500 174.500 175.914 -1.414 17577 1243 1 2 . 1 1 70 70 SER CA C 70 59.300 59.300 58.221 1.079 17577 1244 1 2 . 1 1 70 70 SER CB C 70 64.400 64.400 62.931 1.470 17577 1245 1 2 . 1 1 70 70 SER H H 70 8.350 8.350 8.563 -0.213 17577 1246 1 2 . 1 1 71 71 ASP N N 71 121.100 121.100 122.880 -1.780 17577 1247 1 2 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.291 0.089 17577 1248 1 2 . 1 1 71 71 ASP C C 71 175.600 175.600 175.736 -0.136 17577 1249 1 2 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.910 -0.810 17577 1250 1 2 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.956 2.044 17577 1251 1 2 . 1 1 71 71 ASP H H 71 7.960 7.960 7.777 0.183 17577 1252 1 2 . 1 1 72 72 ASP N N 72 121.000 121.000 117.994 3.006 17577 1253 1 2 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.724 -0.274 17577 1254 1 2 . 1 1 72 72 ASP C C 72 175.900 175.900 175.692 0.208 17577 1255 1 2 . 1 1 72 72 ASP CA C 72 56.100 56.100 53.970 2.130 17577 1256 1 2 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.667 1.433 17577 1257 1 2 . 1 1 72 72 ASP H H 72 8.500 8.500 8.037 0.463 17577 1258 1 2 . 1 1 73 73 GLY N N 73 109.100 109.100 110.978 -1.878 17577 1259 1 2 . 1 1 73 73 GLY C C 73 172.800 172.800 173.505 -0.705 17577 1260 1 2 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.334 0.166 17577 1261 1 2 . 1 1 73 73 GLY H H 73 8.200 8.200 7.924 0.276 17577 1262 1 2 . 1 1 74 74 GLU N N 74 123.300 123.300 125.398 -2.098 17577 1263 1 2 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.590 0.180 17577 1264 1 2 . 1 1 74 74 GLU C C 74 173.600 173.600 174.268 -0.668 17577 1265 1 2 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.692 -0.292 17577 1266 1 2 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.379 0.221 17577 1267 1 2 . 1 1 74 74 GLU H H 74 8.780 8.780 8.218 0.562 17577 1268 1 2 . 1 1 75 75 VAL N N 75 123.500 123.500 121.992 1.508 17577 1269 1 2 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.154 0.886 17577 1270 1 2 . 1 1 75 75 VAL C C 75 174.100 174.100 173.610 0.490 17577 1271 1 2 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.891 1.609 17577 1272 1 2 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.862 -1.862 17577 1273 1 2 . 1 1 75 75 VAL H H 75 7.870 7.870 7.469 0.401 17577 1274 1 2 . 1 1 76 76 TYR N N 76 125.000 125.000 121.787 3.213 17577 1275 1 2 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.382 -0.142 17577 1276 1 2 . 1 1 76 76 TYR C C 76 174.300 174.300 175.301 -1.001 17577 1277 1 2 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.049 1.751 17577 1278 1 2 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.303 2.397 17577 1279 1 2 . 1 1 76 76 TYR H H 76 9.360 9.360 8.310 1.050 17577 1280 1 2 . 1 1 77 77 TYR N N 77 120.500 120.500 118.101 2.399 17577 1281 1 2 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.678 0.202 17577 1282 1 2 . 1 1 77 77 TYR C C 77 174.600 174.600 173.737 0.863 17577 1283 1 2 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.192 1.808 17577 1284 1 2 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.263 2.337 17577 1285 1 2 . 1 1 77 77 TYR H H 77 9.480 9.480 9.428 0.052 17577 1286 1 2 . 1 1 78 78 SER N N 78 125.100 125.100 117.786 7.314 17577 1287 1 2 . 1 1 78 78 SER HA H 78 4.830 4.830 4.337 0.493 17577 1288 1 2 . 1 1 78 78 SER C C 78 174.300 174.300 174.700 -0.400 17577 1289 1 2 . 1 1 78 78 SER CA C 78 55.600 55.600 55.029 0.571 17577 1290 1 2 . 1 1 78 78 SER CB C 78 64.400 64.400 62.465 1.935 17577 1291 1 2 . 1 1 78 78 SER H H 78 8.570 8.570 8.534 0.036 17577 1292 1 2 . 1 1 79 79 GLU N N 79 130.000 130.000 128.475 1.525 17577 1293 1 2 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.090 -0.110 17577 1294 1 2 . 1 1 79 79 GLU C C 79 178.600 178.600 177.182 1.418 17577 1295 1 2 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.307 0.793 17577 1296 1 2 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.501 0.999 17577 1297 1 2 . 1 1 79 79 GLU H H 79 8.670 8.670 8.375 0.295 17577 1298 1 2 . 1 1 80 80 GLU N N 80 118.900 118.900 116.837 2.063 17577 1299 1 2 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.119 -0.119 17577 1300 1 2 . 1 1 80 80 GLU C C 80 177.700 177.700 177.245 0.455 17577 1301 1 2 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.032 1.968 17577 1302 1 2 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.191 1.309 17577 1303 1 2 . 1 1 80 80 GLU H H 80 8.560 8.560 8.634 -0.074 17577 1304 1 2 . 1 1 81 81 ALA N N 81 117.600 117.600 120.401 -2.801 17577 1305 1 2 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.539 -0.149 17577 1306 1 2 . 1 1 81 81 ALA C C 81 176.000 176.000 176.694 -0.694 17577 1307 1 2 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.650 0.750 17577 1308 1 2 . 1 1 81 81 ALA CB C 81 20.600 20.600 20.347 0.253 17577 1309 1 2 . 1 1 81 81 ALA H H 81 7.410 7.410 7.242 0.168 17577 1310 1 2 . 1 1 82 82 LYS N N 82 118.300 118.300 115.822 2.478 17577 1311 1 2 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.945 -0.075 17577 1312 1 2 . 1 1 82 82 LYS C C 82 175.100 175.100 174.347 0.753 17577 1313 1 2 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.055 0.145 17577 1314 1 2 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.502 0.798 17577 1315 1 2 . 1 1 82 82 LYS H H 82 7.830 7.830 8.193 -0.363 17577 1316 1 2 . 1 1 83 83 LYS N N 83 118.400 118.400 119.523 -1.123 17577 1317 1 2 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.170 0.270 17577 1318 1 2 . 1 1 83 83 LYS C C 83 172.400 172.400 174.460 -2.060 17577 1319 1 2 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.270 0.230 17577 1320 1 2 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.445 2.655 17577 1321 1 2 . 1 1 83 83 LYS H H 83 7.150 7.150 7.515 -0.365 17577 1322 1 2 . 1 1 84 84 LYS N N 84 130.000 130.000 127.923 2.077 17577 1323 1 2 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.480 0.200 17577 1324 1 2 . 1 1 84 84 LYS C C 84 174.900 174.900 174.259 0.641 17577 1325 1 2 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.909 0.791 17577 1326 1 2 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.843 1.157 17577 1327 1 2 . 1 1 84 84 LYS H H 84 9.540 9.540 9.114 0.426 17577 1328 1 2 . 1 1 85 85 VAL N N 85 121.100 121.100 123.612 -2.512 17577 1329 1 2 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.326 -0.346 17577 1330 1 2 . 1 1 85 85 VAL C C 85 173.000 173.000 174.064 -1.064 17577 1331 1 2 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.380 2.020 17577 1332 1 2 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.849 1.851 17577 1333 1 2 . 1 1 85 85 VAL H H 85 9.510 9.510 8.740 0.770 17577 1334 1 2 . 1 1 86 86 GLU N N 86 123.700 123.700 126.371 -2.671 17577 1335 1 2 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.837 0.483 17577 1336 1 2 . 1 1 86 86 GLU C C 86 175.800 175.800 175.023 0.777 17577 1337 1 2 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.870 0.831 17577 1338 1 2 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.832 1.368 17577 1339 1 2 . 1 1 86 86 GLU H H 86 8.830 8.830 8.293 0.537 17577 1340 1 2 . 1 1 87 87 VAL N N 87 125.400 125.400 124.852 0.548 17577 1341 1 2 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.096 0.074 17577 1342 1 2 . 1 1 87 87 VAL C C 87 176.000 176.000 174.711 1.289 17577 1343 1 2 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.939 -0.439 17577 1344 1 2 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.389 0.612 17577 1345 1 2 . 1 1 87 87 VAL H H 87 8.760 8.760 9.175 -0.415 17577 1346 1 2 . 1 1 88 88 LEU N N 88 128.000 128.000 129.367 -1.367 17577 1347 1 2 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.525 -0.135 17577 1348 1 2 . 1 1 88 88 LEU C C 88 177.200 177.200 176.498 0.702 17577 1349 1 2 . 1 1 88 88 LEU CA C 88 57.000 57.000 54.831 2.169 17577 1350 1 2 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.868 1.332 17577 1351 1 2 . 1 1 88 88 LEU H H 88 8.990 8.990 8.472 0.518 17577 1352 1 2 . 1 1 89 89 ASP N N 89 113.900 113.900 116.822 -2.922 17577 1353 1 2 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.776 0.004 17577 1354 1 2 . 1 1 89 89 ASP C C 89 173.900 173.900 174.067 -0.167 17577 1355 1 2 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.833 1.067 17577 1356 1 2 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.186 2.414 17577 1357 1 2 . 1 1 89 89 ASP H H 89 7.140 7.140 7.765 -0.625 17577 1358 1 2 . 1 1 90 90 THR N N 90 119.500 119.500 119.436 0.064 17577 1359 1 2 . 1 1 90 90 THR HA H 90 3.800 3.800 4.601 -0.801 17577 1360 1 2 . 1 1 90 90 THR C C 90 169.800 169.800 173.260 -3.460 17577 1361 1 2 . 1 1 90 90 THR CA C 90 61.500 61.500 61.862 -0.362 17577 1362 1 2 . 1 1 90 90 THR CB C 90 69.200 69.200 70.719 -1.519 17577 1363 1 2 . 1 1 90 90 THR H H 90 8.070 8.070 8.330 -0.260 17577 1364 1 2 . 1 1 91 91 ASP N N 91 122.400 122.400 129.045 -6.645 17577 1365 1 2 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.517 0.333 17577 1366 1 2 . 1 1 91 91 ASP C C 91 176.800 176.800 177.146 -0.346 17577 1367 1 2 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.070 -0.170 17577 1368 1 2 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.115 0.785 17577 1369 1 2 . 1 1 91 91 ASP H H 91 6.790 6.790 8.971 -2.181 17577 1370 1 2 . 1 1 92 92 TYR N N 92 115.100 115.100 115.201 -0.101 17577 1371 1 2 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.962 -0.452 17577 1372 1 2 . 1 1 92 92 TYR C C 92 173.900 173.900 174.360 -0.460 17577 1373 1 2 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.557 2.743 17577 1374 1 2 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.518 0.082 17577 1375 1 2 . 1 1 92 92 TYR H H 92 9.420 9.420 8.495 0.925 17577 1376 1 2 . 1 1 93 93 LYS N N 93 112.300 112.300 116.031 -3.731 17577 1377 1 2 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.277 0.393 17577 1378 1 2 . 1 1 93 93 LYS C C 93 175.600 175.600 175.380 0.220 17577 1379 1 2 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.814 2.686 17577 1380 1 2 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.384 4.416 17577 1381 1 2 . 1 1 93 93 LYS H H 93 8.080 8.080 8.243 -0.163 17577 1382 1 2 . 1 1 94 94 SER N N 94 120.300 120.300 111.902 8.398 17577 1383 1 2 . 1 1 94 94 SER HA H 94 4.820 4.820 4.518 0.302 17577 1384 1 2 . 1 1 94 94 SER CA C 94 61.200 61.200 59.236 1.964 17577 1385 1 2 . 1 1 94 94 SER CB C 94 68.800 68.800 65.470 3.330 17577 1386 1 2 . 1 1 94 94 SER H H 94 11.420 11.420 7.633 3.787 17577 1387 1 2 . 1 1 95 95 TYR N N 95 122.700 122.700 115.185 7.515 17577 1388 1 2 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.394 0.756 17577 1389 1 2 . 1 1 95 95 TYR C C 95 173.500 173.500 173.503 -0.003 17577 1390 1 2 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.077 2.523 17577 1391 1 2 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.044 1.556 17577 1392 1 2 . 1 1 95 95 TYR H H 95 8.490 8.490 7.134 1.356 17577 1393 1 2 . 1 1 96 96 ALA N N 96 120.900 120.900 121.014 -0.114 17577 1394 1 2 . 1 1 96 96 ALA HA H 96 4.550 4.550 5.321 -0.771 17577 1395 1 2 . 1 1 96 96 ALA C C 96 174.700 174.700 175.134 -0.434 17577 1396 1 2 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.852 1.648 17577 1397 1 2 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.604 1.096 17577 1398 1 2 . 1 1 96 96 ALA H H 96 9.010 9.010 8.767 0.243 17577 1399 1 2 . 1 1 97 97 VAL N N 97 121.700 121.700 122.528 -0.828 17577 1400 1 2 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.179 -0.159 17577 1401 1 2 . 1 1 97 97 VAL C C 97 174.300 174.300 174.617 -0.317 17577 1402 1 2 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.002 2.198 17577 1403 1 2 . 1 1 97 97 VAL CB C 97 33.600 33.600 32.951 0.649 17577 1404 1 2 . 1 1 97 97 VAL H H 97 9.310 9.310 8.987 0.323 17577 1405 1 2 . 1 1 98 98 ILE N N 98 129.600 129.600 124.671 4.929 17577 1406 1 2 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.637 0.413 17577 1407 1 2 . 1 1 98 98 ILE C C 98 174.000 174.000 174.402 -0.402 17577 1408 1 2 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.672 -0.472 17577 1409 1 2 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.165 0.535 17577 1410 1 2 . 1 1 98 98 ILE H H 98 9.550 9.550 8.236 1.314 17577 1411 1 2 . 1 1 99 99 TYR N N 99 128.100 128.100 126.723 1.377 17577 1412 1 2 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.799 0.461 17577 1413 1 2 . 1 1 99 99 TYR C C 99 173.700 173.700 174.177 -0.477 17577 1414 1 2 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.244 0.456 17577 1415 1 2 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.481 2.719 17577 1416 1 2 . 1 1 99 99 TYR H H 99 9.550 9.550 8.163 1.387 17577 1417 1 2 . 1 1 100 100 ALA N N 100 134.400 134.400 131.382 3.018 17577 1418 1 2 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.543 0.177 17577 1419 1 2 . 1 1 100 100 ALA C C 100 175.500 175.500 175.709 -0.209 17577 1420 1 2 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.865 1.535 17577 1421 1 2 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.593 3.307 17577 1422 1 2 . 1 1 100 100 ALA H H 100 9.610 9.610 8.530 1.080 17577 1423 1 2 . 1 1 101 101 THR N N 101 116.200 116.200 117.204 -1.004 17577 1424 1 2 . 1 1 101 101 THR HA H 101 5.450 5.450 4.816 0.634 17577 1425 1 2 . 1 1 101 101 THR C C 101 173.600 173.600 172.959 0.641 17577 1426 1 2 . 1 1 101 101 THR CA C 101 62.000 62.000 61.344 0.656 17577 1427 1 2 . 1 1 101 101 THR CB C 101 73.100 73.100 71.173 1.927 17577 1428 1 2 . 1 1 101 101 THR H H 101 9.430 9.430 8.741 0.689 17577 1429 1 2 . 1 1 102 102 ARG N N 102 125.700 125.700 129.373 -3.673 17577 1430 1 2 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.326 -0.116 17577 1431 1 2 . 1 1 102 102 ARG C C 102 173.900 173.900 173.589 0.311 17577 1432 1 2 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.539 0.961 17577 1433 1 2 . 1 1 102 102 ARG CB C 102 36.100 36.100 34.210 1.890 17577 1434 1 2 . 1 1 102 102 ARG H H 102 8.970 8.970 8.200 0.770 17577 1435 1 2 . 1 1 103 103 VAL N N 103 122.100 122.100 126.242 -4.142 17577 1436 1 2 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.656 0.114 17577 1437 1 2 . 1 1 103 103 VAL C C 103 175.700 175.700 173.801 1.899 17577 1438 1 2 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.215 1.185 17577 1439 1 2 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.913 -0.513 17577 1440 1 2 . 1 1 103 103 VAL H H 103 7.870 7.870 8.110 -0.240 17577 1441 1 2 . 1 1 104 104 LYS N N 104 130.100 130.100 127.795 2.305 17577 1442 1 2 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.495 -0.035 17577 1443 1 2 . 1 1 104 104 LYS C C 104 175.400 175.400 175.987 -0.587 17577 1444 1 2 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.413 1.587 17577 1445 1 2 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.443 1.957 17577 1446 1 2 . 1 1 104 104 LYS H H 104 8.980 8.980 8.553 0.427 17577 1447 1 2 . 1 1 106 106 GLY N N 106 136.200 136.200 111.636 24.564 17577 1448 1 2 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.007 1.393 17577 1449 1 2 . 1 1 106 106 GLY H H 106 8.330 8.330 8.393 -0.063 17577 1450 1 2 . 1 1 107 107 ARG N N 107 121.300 121.300 121.801 -0.501 17577 1451 1 2 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.702 -0.032 17577 1452 1 2 . 1 1 107 107 ARG C C 107 174.500 174.500 174.471 0.029 17577 1453 1 2 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.883 0.517 17577 1454 1 2 . 1 1 107 107 ARG CB C 107 33.200 33.200 32.853 0.347 17577 1455 1 2 . 1 1 107 107 ARG H H 107 7.880 7.880 7.937 -0.057 17577 1456 1 2 . 1 1 108 108 THR N N 108 118.800 118.800 117.938 0.862 17577 1457 1 2 . 1 1 108 108 THR HA H 108 4.490 4.490 4.793 -0.303 17577 1458 1 2 . 1 1 108 108 THR C C 108 173.400 173.400 173.787 -0.387 17577 1459 1 2 . 1 1 108 108 THR CA C 108 64.100 64.100 61.758 2.341 17577 1460 1 2 . 1 1 108 108 THR CB C 108 69.800 69.800 70.694 -0.894 17577 1461 1 2 . 1 1 108 108 THR H H 108 8.650 8.650 8.337 0.313 17577 1462 1 2 . 1 1 109 109 LEU N N 109 128.900 128.900 122.820 6.080 17577 1463 1 2 . 1 1 109 109 LEU HA H 109 4.730 4.730 5.123 -0.393 17577 1464 1 2 . 1 1 109 109 LEU C C 109 175.700 175.700 174.251 1.449 17577 1465 1 2 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.489 -0.189 17577 1466 1 2 . 1 1 109 109 LEU CB C 109 46.500 46.500 45.751 0.749 17577 1467 1 2 . 1 1 109 109 LEU H H 109 9.220 9.220 8.331 0.889 17577 1468 1 2 . 1 1 110 110 HIS N N 110 116.200 116.200 115.612 0.588 17577 1469 1 2 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.325 0.715 17577 1470 1 2 . 1 1 110 110 HIS C C 110 175.300 175.300 174.067 1.233 17577 1471 1 2 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.658 1.642 17577 1472 1 2 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.853 1.647 17577 1473 1 2 . 1 1 110 110 HIS H H 110 8.490 8.490 8.176 0.314 17577 1474 1 2 . 1 1 111 111 MET N N 111 123.400 123.400 115.043 8.357 17577 1475 1 2 . 1 1 111 111 MET HA H 111 4.550 4.550 4.708 -0.158 17577 1476 1 2 . 1 1 111 111 MET C C 111 174.000 174.000 173.967 0.033 17577 1477 1 2 . 1 1 111 111 MET CA C 111 56.600 56.600 54.292 2.308 17577 1478 1 2 . 1 1 111 111 MET CB C 111 37.800 37.800 36.884 0.916 17577 1479 1 2 . 1 1 111 111 MET H H 111 9.090 9.090 8.632 0.458 17577 1480 1 2 . 1 1 112 112 MET N N 112 122.900 122.900 118.313 4.587 17577 1481 1 2 . 1 1 112 112 MET HA H 112 5.670 5.670 5.255 0.415 17577 1482 1 2 . 1 1 112 112 MET C C 112 175.400 175.400 175.811 -0.411 17577 1483 1 2 . 1 1 112 112 MET CA C 112 55.100 55.100 53.835 1.265 17577 1484 1 2 . 1 1 112 112 MET CB C 112 37.200 37.200 34.331 2.869 17577 1485 1 2 . 1 1 112 112 MET H H 112 9.120 9.120 8.468 0.652 17577 1486 1 2 . 1 1 113 113 ARG N N 113 119.500 119.500 123.948 -4.448 17577 1487 1 2 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.891 0.159 17577 1488 1 2 . 1 1 113 113 ARG C C 113 173.800 173.800 173.534 0.266 17577 1489 1 2 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.936 1.064 17577 1490 1 2 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.229 4.371 17577 1491 1 2 . 1 1 113 113 ARG H H 113 9.390 9.390 8.597 0.793 17577 1492 1 2 . 1 1 114 114 LEU N N 114 124.400 124.400 129.172 -4.772 17577 1493 1 2 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.641 -0.611 17577 1494 1 2 . 1 1 114 114 LEU C C 114 174.200 174.200 174.583 -0.383 17577 1495 1 2 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.203 0.896 17577 1496 1 2 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.342 -1.442 17577 1497 1 2 . 1 1 114 114 LEU H H 114 8.020 8.020 9.294 -1.274 17577 1498 1 2 . 1 1 115 115 TYR N N 115 126.000 126.000 127.899 -1.899 17577 1499 1 2 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.716 0.084 17577 1500 1 2 . 1 1 115 115 TYR C C 115 176.500 176.500 173.553 2.947 17577 1501 1 2 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.720 3.280 17577 1502 1 2 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.395 0.505 17577 1503 1 2 . 1 1 115 115 TYR H H 115 9.540 9.540 8.795 0.745 17577 1504 1 2 . 1 1 116 116 SER N N 116 113.200 113.200 114.854 -1.654 17577 1505 1 2 . 1 1 116 116 SER HA H 116 5.840 5.840 4.792 1.048 17577 1506 1 2 . 1 1 116 116 SER C C 116 175.400 175.400 174.092 1.308 17577 1507 1 2 . 1 1 116 116 SER CA C 116 56.600 56.600 55.076 1.524 17577 1508 1 2 . 1 1 116 116 SER CB C 116 67.700 67.700 65.616 2.084 17577 1509 1 2 . 1 1 116 116 SER H H 116 9.930 9.930 8.857 1.073 17577 1510 1 2 . 1 1 117 117 ARG N N 117 130.500 130.500 125.548 4.952 17577 1511 1 2 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.082 -0.402 17577 1512 1 2 . 1 1 117 117 ARG C C 117 175.400 175.400 176.253 -0.853 17577 1513 1 2 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.328 1.972 17577 1514 1 2 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.424 2.075 17577 1515 1 2 . 1 1 117 117 ARG H H 117 8.350 8.350 8.063 0.287 17577 1516 1 2 . 1 1 118 118 SER N N 118 111.300 111.300 112.087 -0.787 17577 1517 1 2 . 1 1 118 118 SER HA H 118 4.990 4.990 4.696 0.294 17577 1518 1 2 . 1 1 118 118 SER C C 118 173.400 173.400 171.928 1.472 17577 1519 1 2 . 1 1 118 118 SER CA C 118 54.800 54.800 55.251 -0.451 17577 1520 1 2 . 1 1 118 118 SER CB C 118 65.800 65.800 65.026 0.774 17577 1521 1 2 . 1 1 118 118 SER H H 118 7.980 7.980 7.309 0.671 17577 1522 1 2 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.165 -0.195 17577 1523 1 2 . 1 1 119 119 PRO C C 119 175.500 175.500 175.792 -0.292 17577 1524 1 2 . 1 1 119 119 PRO CA C 119 65.100 65.100 63.343 1.758 17577 1525 1 2 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.514 0.686 17577 1526 1 2 . 1 1 120 120 GLU N N 120 117.500 117.500 117.733 -0.233 17577 1527 1 2 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.587 -0.327 17577 1528 1 2 . 1 1 120 120 GLU C C 120 174.500 174.500 175.467 -0.967 17577 1529 1 2 . 1 1 120 120 GLU CA C 120 55.800 55.800 54.532 1.268 17577 1530 1 2 . 1 1 120 120 GLU CB C 120 29.700 29.700 32.464 -2.764 17577 1531 1 2 . 1 1 120 120 GLU H H 120 7.410 7.410 7.928 -0.518 17577 1532 1 2 . 1 1 121 121 VAL N N 121 124.900 124.900 121.412 3.488 17577 1533 1 2 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.282 -0.142 17577 1534 1 2 . 1 1 121 121 VAL C C 121 174.400 174.400 175.691 -1.291 17577 1535 1 2 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.470 0.230 17577 1536 1 2 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.366 1.734 17577 1537 1 2 . 1 1 121 121 VAL H H 121 7.900 7.900 8.497 -0.597 17577 1538 1 2 . 1 1 122 122 SER N N 122 124.500 124.500 124.831 -0.331 17577 1539 1 2 . 1 1 122 122 SER HA H 122 4.750 4.750 4.986 -0.236 17577 1540 1 2 . 1 1 122 122 SER CA C 122 57.300 57.300 55.481 1.819 17577 1541 1 2 . 1 1 122 122 SER CB C 122 64.500 64.500 63.981 0.519 17577 1542 1 2 . 1 1 122 122 SER H H 122 8.680 8.680 8.460 0.220 17577 1543 1 2 . 1 1 123 123 PRO C C 123 175.600 175.600 177.938 -2.338 17577 1544 1 2 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.857 1.043 17577 1545 1 2 . 1 1 124 124 ALA N N 124 120.100 120.100 120.640 -0.540 17577 1546 1 2 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.108 -0.038 17577 1547 1 2 . 1 1 124 124 ALA C C 124 179.900 179.900 179.168 0.732 17577 1548 1 2 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.736 1.064 17577 1549 1 2 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.991 1.109 17577 1550 1 2 . 1 1 124 124 ALA H H 124 8.030 8.030 8.395 -0.365 17577 1551 1 2 . 1 1 125 125 ALA N N 125 121.100 121.100 120.388 0.712 17577 1552 1 2 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.037 0.393 17577 1553 1 2 . 1 1 125 125 ALA C C 125 179.200 179.200 179.678 -0.478 17577 1554 1 2 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.569 1.031 17577 1555 1 2 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.080 1.120 17577 1556 1 2 . 1 1 125 125 ALA H H 125 7.510 7.510 7.463 0.047 17577 1557 1 2 . 1 1 126 126 THR N N 126 113.200 113.200 114.086 -0.886 17577 1558 1 2 . 1 1 126 126 THR HA H 126 4.150 4.150 3.969 0.181 17577 1559 1 2 . 1 1 126 126 THR C C 126 176.100 176.100 176.496 -0.396 17577 1560 1 2 . 1 1 126 126 THR CA C 126 68.900 68.900 65.841 3.059 17577 1561 1 2 . 1 1 126 126 THR CB C 126 67.700 67.700 68.819 -1.119 17577 1562 1 2 . 1 1 126 126 THR H H 126 7.820 7.820 7.526 0.294 17577 1563 1 2 . 1 1 127 127 ALA N N 127 123.100 123.100 124.949 -1.849 17577 1564 1 2 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.104 -0.024 17577 1565 1 2 . 1 1 127 127 ALA C C 127 181.100 181.100 178.842 2.258 17577 1566 1 2 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.053 1.147 17577 1567 1 2 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.433 0.267 17577 1568 1 2 . 1 1 127 127 ALA H H 127 7.900 7.900 7.907 -0.007 17577 1569 1 2 . 1 1 128 128 ILE N N 128 120.900 120.900 119.879 1.021 17577 1570 1 2 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.766 -0.026 17577 1571 1 2 . 1 1 128 128 ILE C C 128 177.300 177.300 176.949 0.351 17577 1572 1 2 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.330 2.271 17577 1573 1 2 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.870 2.530 17577 1574 1 2 . 1 1 128 128 ILE H H 128 7.640 7.640 8.330 -0.690 17577 1575 1 2 . 1 1 129 129 PHE N N 129 120.300 120.300 119.399 0.901 17577 1576 1 2 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.002 0.008 17577 1577 1 2 . 1 1 129 129 PHE C C 129 176.100 176.100 177.066 -0.966 17577 1578 1 2 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.169 1.131 17577 1579 1 2 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.063 1.837 17577 1580 1 2 . 1 1 129 129 PHE H H 129 8.250 8.250 7.725 0.525 17577 1581 1 2 . 1 1 130 130 ARG N N 130 116.300 116.300 119.384 -3.084 17577 1582 1 2 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.994 -0.434 17577 1583 1 2 . 1 1 130 130 ARG C C 130 179.400 179.400 178.316 1.084 17577 1584 1 2 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.119 1.981 17577 1585 1 2 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.349 0.252 17577 1586 1 2 . 1 1 130 130 ARG H H 130 8.650 8.650 7.802 0.848 17577 1587 1 2 . 1 1 131 131 LYS N N 131 122.200 122.200 119.538 2.662 17577 1588 1 2 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.918 0.112 17577 1589 1 2 . 1 1 131 131 LYS C C 131 179.300 179.300 179.179 0.121 17577 1590 1 2 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.815 0.686 17577 1591 1 2 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.251 0.949 17577 1592 1 2 . 1 1 131 131 LYS H H 131 8.020 8.020 7.795 0.225 17577 1593 1 2 . 1 1 132 132 LEU N N 132 120.300 120.300 116.368 3.932 17577 1594 1 2 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.162 -0.232 17577 1595 1 2 . 1 1 132 132 LEU C C 132 179.600 179.600 178.953 0.647 17577 1596 1 2 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.663 0.937 17577 1597 1 2 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.117 1.383 17577 1598 1 2 . 1 1 132 132 LEU H H 132 8.450 8.450 7.354 1.096 17577 1599 1 2 . 1 1 133 133 ALA N N 133 122.400 122.400 121.207 1.193 17577 1600 1 2 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.520 0.450 17577 1601 1 2 . 1 1 133 133 ALA C C 133 180.400 180.400 179.325 1.075 17577 1602 1 2 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.336 1.664 17577 1603 1 2 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.866 0.034 17577 1604 1 2 . 1 1 133 133 ALA H H 133 8.750 8.750 7.289 1.461 17577 1605 1 2 . 1 1 134 134 GLY N N 134 107.400 107.400 105.881 1.519 17577 1606 1 2 . 1 1 134 134 GLY C C 134 178.200 178.200 176.293 1.907 17577 1607 1 2 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.818 1.282 17577 1608 1 2 . 1 1 134 134 GLY H H 134 8.130 8.130 8.574 -0.444 17577 1609 1 2 . 1 1 135 135 GLU N N 135 121.900 121.900 121.076 0.824 17577 1610 1 2 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.150 -0.100 17577 1611 1 2 . 1 1 135 135 GLU C C 135 177.400 177.400 177.458 -0.058 17577 1612 1 2 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.010 1.290 17577 1613 1 2 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.474 0.926 17577 1614 1 2 . 1 1 135 135 GLU H H 135 7.730 7.730 7.604 0.126 17577 1615 1 2 . 1 1 136 136 ARG N N 136 118.000 118.000 116.095 1.905 17577 1616 1 2 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.459 -0.309 17577 1617 1 2 . 1 1 136 136 ARG C C 136 173.500 173.500 175.177 -1.677 17577 1618 1 2 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.374 0.426 17577 1619 1 2 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.327 -1.427 17577 1620 1 2 . 1 1 136 136 ARG H H 136 7.130 7.130 7.364 -0.234 17577 1621 1 2 . 1 1 137 137 ASN N N 137 109.600 109.600 115.338 -5.738 17577 1622 1 2 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.434 -0.284 17577 1623 1 2 . 1 1 137 137 ASN C C 137 174.200 174.200 174.815 -0.615 17577 1624 1 2 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.119 1.881 17577 1625 1 2 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.872 0.328 17577 1626 1 2 . 1 1 137 137 ASN H H 137 7.560 7.560 8.353 -0.793 17577 1627 1 2 . 1 1 138 138 TYR N N 138 118.600 118.600 116.695 1.905 17577 1628 1 2 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.837 0.453 17577 1629 1 2 . 1 1 138 138 TYR C C 138 175.900 175.900 175.018 0.882 17577 1630 1 2 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.388 1.312 17577 1631 1 2 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.897 -2.297 17577 1632 1 2 . 1 1 138 138 TYR H H 138 8.020 8.020 8.029 -0.009 17577 1633 1 2 . 1 1 139 139 THR N N 139 115.000 115.000 110.527 4.473 17577 1634 1 2 . 1 1 139 139 THR HA H 139 4.420 4.420 4.077 0.343 17577 1635 1 2 . 1 1 139 139 THR C C 139 175.500 175.500 175.160 0.340 17577 1636 1 2 . 1 1 139 139 THR CA C 139 61.400 61.400 59.097 2.303 17577 1637 1 2 . 1 1 139 139 THR CB C 139 71.400 71.400 72.020 -0.620 17577 1638 1 2 . 1 1 139 139 THR H H 139 7.740 7.740 8.076 -0.336 17577 1639 1 2 . 1 1 140 140 ASP N N 140 117.900 117.900 124.168 -6.268 17577 1640 1 2 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.178 0.082 17577 1641 1 2 . 1 1 140 140 ASP C C 140 178.400 178.400 178.004 0.396 17577 1642 1 2 . 1 1 140 140 ASP CA C 140 59.000 59.000 58.080 0.920 17577 1643 1 2 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.371 1.429 17577 1644 1 2 . 1 1 140 140 ASP H H 140 8.630 8.630 8.691 -0.061 17577 1645 1 2 . 1 1 141 141 GLU N N 141 116.800 116.800 117.334 -0.534 17577 1646 1 2 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.091 0.179 17577 1647 1 2 . 1 1 141 141 GLU C C 141 176.200 176.200 177.867 -1.667 17577 1648 1 2 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.182 0.918 17577 1649 1 2 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.178 0.922 17577 1650 1 2 . 1 1 141 141 GLU H H 141 8.500 8.500 8.024 0.476 17577 1651 1 2 . 1 1 142 142 MET N N 142 117.400 117.400 115.711 1.689 17577 1652 1 2 . 1 1 142 142 MET HA H 142 4.490 4.490 4.381 0.109 17577 1653 1 2 . 1 1 142 142 MET C C 142 172.900 172.900 176.023 -3.123 17577 1654 1 2 . 1 1 142 142 MET CA C 142 57.100 57.100 57.406 -0.306 17577 1655 1 2 . 1 1 142 142 MET CB C 142 33.400 33.400 33.824 -0.424 17577 1656 1 2 . 1 1 142 142 MET H H 142 7.960 7.960 7.832 0.128 17577 1657 1 2 . 1 1 143 143 VAL N N 143 116.800 116.800 118.221 -1.421 17577 1658 1 2 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.695 0.095 17577 1659 1 2 . 1 1 143 143 VAL C C 143 175.600 175.600 174.001 1.599 17577 1660 1 2 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.743 2.457 17577 1661 1 2 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.390 0.110 17577 1662 1 2 . 1 1 143 143 VAL H H 143 7.120 7.120 7.938 -0.818 17577 1663 1 2 . 1 1 144 144 ALA N N 144 131.000 131.000 132.660 -1.660 17577 1664 1 2 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.818 -0.008 17577 1665 1 2 . 1 1 144 144 ALA C C 144 175.800 175.800 175.752 0.048 17577 1666 1 2 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.686 0.814 17577 1667 1 2 . 1 1 144 144 ALA CB C 144 22.600 22.600 20.931 1.669 17577 1668 1 2 . 1 1 144 144 ALA H H 144 9.600 9.600 8.534 1.066 17577 1669 1 2 . 1 1 145 145 MET N N 145 122.400 122.400 125.503 -3.103 17577 1670 1 2 . 1 1 145 145 MET HA H 145 4.890 4.890 4.923 -0.033 17577 1671 1 2 . 1 1 145 145 MET C C 145 176.900 176.900 174.976 1.924 17577 1672 1 2 . 1 1 145 145 MET CA C 145 54.000 54.000 55.776 -1.776 17577 1673 1 2 . 1 1 145 145 MET CB C 145 30.100 30.100 34.034 -3.934 17577 1674 1 2 . 1 1 145 145 MET H H 145 8.630 8.630 8.576 0.054 17577 1675 1 2 . 1 1 146 146 LEU N N 146 125.400 125.400 126.637 -1.237 17577 1676 1 2 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.861 -0.321 17577 1677 1 2 . 1 1 146 146 LEU C C 146 174.500 174.500 174.844 -0.344 17577 1678 1 2 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.600 2.300 17577 1679 1 2 . 1 1 146 146 LEU CB C 146 42.800 42.800 43.815 -1.015 17577 1680 1 2 . 1 1 146 146 LEU H H 146 7.880 7.880 8.483 -0.603 17577 1681 1 2 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.720 -0.140 17577 1682 1 2 . 1 1 147 147 PRO C C 147 176.200 176.200 177.040 -0.840 17577 1683 1 2 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.304 0.996 17577 1684 1 2 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.100 0.500 17577 1685 1 2 . 1 1 148 148 ARG N N 148 120.700 120.700 118.611 2.089 17577 1686 1 2 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.096 0.174 17577 1687 1 2 . 1 1 148 148 ARG C C 148 175.500 175.500 176.217 -0.717 17577 1688 1 2 . 1 1 148 148 ARG CA C 148 58.300 58.300 58.075 0.225 17577 1689 1 2 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.158 2.242 17577 1690 1 2 . 1 1 148 148 ARG H H 148 8.540 8.540 8.603 -0.063 17577 1691 1 2 . 1 1 149 149 GLN N N 149 115.000 115.000 118.955 -3.955 17577 1692 1 2 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.183 0.537 17577 1693 1 2 . 1 1 149 149 GLN C C 149 174.300 174.300 175.476 -1.176 17577 1694 1 2 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.793 -0.893 17577 1695 1 2 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.823 0.877 17577 1696 1 2 . 1 1 149 149 GLN H H 149 7.770 7.770 7.927 -0.157 17577 1697 1 2 . 1 1 150 150 GLU N N 150 117.800 117.800 121.549 -3.749 17577 1698 1 2 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.589 -0.119 17577 1699 1 2 . 1 1 150 150 GLU C C 150 175.800 175.800 175.439 0.361 17577 1700 1 2 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.895 1.405 17577 1701 1 2 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.875 0.525 17577 1702 1 2 . 1 1 150 150 GLU H H 150 8.570 8.570 8.450 0.120 17577 1703 1 2 . 1 1 151 151 GLU N N 151 119.200 119.200 120.879 -1.679 17577 1704 1 2 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.482 -0.222 17577 1705 1 2 . 1 1 151 151 GLU C C 151 176.000 176.000 175.769 0.231 17577 1706 1 2 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.822 2.678 17577 1707 1 2 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.515 1.685 17577 1708 1 2 . 1 1 151 151 GLU H H 151 8.000 8.000 8.839 -0.839 17577 1709 1 2 . 1 1 152 152 CYS N N 152 122.100 122.100 117.839 4.261 17577 1710 1 2 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.959 0.181 17577 1711 1 2 . 1 1 152 152 CYS C C 152 172.800 172.800 173.369 -0.569 17577 1712 1 2 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.985 -3.985 17577 1713 1 2 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.582 4.318 17577 1714 1 2 . 1 1 152 152 CYS H H 152 9.620 9.620 8.056 1.564 17577 1715 1 2 . 1 1 153 153 THR N N 153 118.000 118.000 113.892 4.108 17577 1716 1 2 . 1 1 153 153 THR HA H 153 4.860 4.860 4.757 0.103 17577 1717 1 2 . 1 1 153 153 THR C C 153 173.000 173.000 173.704 -0.704 17577 1718 1 2 . 1 1 153 153 THR CA C 153 59.800 59.800 60.575 -0.775 17577 1719 1 2 . 1 1 153 153 THR CB C 153 72.500 72.500 70.785 1.715 17577 1720 1 2 . 1 1 153 153 THR H H 153 8.490 8.490 8.194 0.296 17577 1721 1 2 . 1 1 154 154 VAL N N 154 114.900 114.900 119.119 -4.219 17577 1722 1 2 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.299 -0.179 17577 1723 1 2 . 1 1 154 154 VAL C C 154 175.500 175.500 175.041 0.459 17577 1724 1 2 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.888 0.112 17577 1725 1 2 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.715 0.385 17577 1726 1 2 . 1 1 154 154 VAL H H 154 6.920 6.920 8.050 -1.130 17577 1727 1 2 . 1 1 155 155 ASP N N 155 124.100 124.100 120.861 3.239 17577 1728 1 2 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.614 -0.124 17577 1729 1 2 . 1 1 155 155 ASP C C 155 175.800 175.800 176.997 -1.197 17577 1730 1 2 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.682 2.018 17577 1731 1 2 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.460 -0.160 17577 1732 1 2 . 1 1 155 155 ASP H H 155 8.390 8.390 8.163 0.227 17577 1733 1 2 . 1 1 156 156 GLU N N 156 121.000 121.000 120.586 0.414 17577 1734 1 2 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.146 0.024 17577 1735 1 2 . 1 1 156 156 GLU C C 156 175.400 175.400 176.501 -1.101 17577 1736 1 2 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.903 -0.403 17577 1737 1 2 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.544 1.855 17577 1738 1 2 . 1 1 156 156 GLU H H 156 8.450 8.450 8.596 -0.146 17577 1739 1 3 . 1 1 4 4 PRO C C 4 175.800 175.800 176.026 -0.226 17577 1740 1 3 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.869 0.431 17577 1741 1 3 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.123 0.877 17577 1742 1 3 . 1 1 5 5 ASP N N 5 119.400 119.400 123.036 -3.636 17577 1743 1 3 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.610 -0.100 17577 1744 1 3 . 1 1 5 5 ASP C C 5 177.100 177.100 177.881 -0.781 17577 1745 1 3 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.576 0.224 17577 1746 1 3 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.829 1.571 17577 1747 1 3 . 1 1 5 5 ASP H H 5 8.090 8.090 8.552 -0.462 17577 1748 1 3 . 1 1 6 6 ARG N N 6 124.800 124.800 125.416 -0.616 17577 1749 1 3 . 1 1 6 6 ARG C C 6 177.300 177.300 177.316 -0.016 17577 1750 1 3 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.666 0.334 17577 1751 1 3 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.029 0.471 17577 1752 1 3 . 1 1 6 6 ARG H H 6 8.590 8.590 8.659 -0.069 17577 1753 1 3 . 1 1 7 7 SER N N 7 113.800 113.800 114.609 -0.809 17577 1754 1 3 . 1 1 7 7 SER CA C 7 62.400 62.400 60.749 1.651 17577 1755 1 3 . 1 1 7 7 SER CB C 7 63.800 63.800 62.587 1.213 17577 1756 1 3 . 1 1 7 7 SER H H 7 8.240 8.240 8.497 -0.257 17577 1757 1 3 . 1 1 8 8 GLU N N 8 120.200 120.200 121.206 -1.006 17577 1758 1 3 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.087 0.243 17577 1759 1 3 . 1 1 8 8 GLU C C 8 177.100 177.100 178.323 -1.223 17577 1760 1 3 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.814 -0.114 17577 1761 1 3 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.790 1.110 17577 1762 1 3 . 1 1 8 8 GLU H H 8 8.030 8.030 7.767 0.263 17577 1763 1 3 . 1 1 9 9 ILE N N 9 112.800 112.800 118.371 -5.571 17577 1764 1 3 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.861 0.489 17577 1765 1 3 . 1 1 9 9 ILE C C 9 175.000 175.000 175.128 -0.128 17577 1766 1 3 . 1 1 9 9 ILE CA C 9 63.400 63.400 62.136 1.264 17577 1767 1 3 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.928 2.071 17577 1768 1 3 . 1 1 9 9 ILE H H 9 7.530 7.530 7.193 0.337 17577 1769 1 3 . 1 1 10 10 ALA N N 10 120.400 120.400 121.909 -1.509 17577 1770 1 3 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.587 -0.517 17577 1771 1 3 . 1 1 10 10 ALA C C 10 177.500 177.500 177.404 0.096 17577 1772 1 3 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.545 0.455 17577 1773 1 3 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.091 1.309 17577 1774 1 3 . 1 1 10 10 ALA H H 10 7.410 7.410 8.221 -0.811 17577 1775 1 3 . 1 1 11 11 GLY N N 11 108.300 108.300 110.902 -2.602 17577 1776 1 3 . 1 1 11 11 GLY C C 11 173.700 173.700 173.300 0.400 17577 1777 1 3 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.051 0.249 17577 1778 1 3 . 1 1 11 11 GLY H H 11 8.780 8.780 8.469 0.311 17577 1779 1 3 . 1 1 12 12 LYS N N 12 122.300 122.300 122.306 -0.006 17577 1780 1 3 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.991 -0.161 17577 1781 1 3 . 1 1 12 12 LYS C C 12 175.900 175.900 174.197 1.703 17577 1782 1 3 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.387 1.913 17577 1783 1 3 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.398 0.602 17577 1784 1 3 . 1 1 12 12 LYS H H 12 8.740 8.740 7.628 1.112 17577 1785 1 3 . 1 1 13 13 TRP N N 13 126.000 126.000 126.569 -0.569 17577 1786 1 3 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.193 -0.563 17577 1787 1 3 . 1 1 13 13 TRP C C 13 173.300 173.300 174.763 -1.463 17577 1788 1 3 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.062 1.638 17577 1789 1 3 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.565 3.835 17577 1790 1 3 . 1 1 13 13 TRP H H 13 9.440 9.440 9.694 -0.254 17577 1791 1 3 . 1 1 14 14 TYR N N 14 118.300 118.300 123.652 -5.352 17577 1792 1 3 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.948 0.102 17577 1793 1 3 . 1 1 14 14 TYR C C 14 175.400 175.400 175.049 0.351 17577 1794 1 3 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.274 1.526 17577 1795 1 3 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.456 1.044 17577 1796 1 3 . 1 1 14 14 TYR H H 14 9.370 9.370 8.763 0.607 17577 1797 1 3 . 1 1 15 15 VAL N N 15 124.200 124.200 126.333 -2.133 17577 1798 1 3 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.393 -0.353 17577 1799 1 3 . 1 1 15 15 VAL C C 15 175.500 175.500 175.419 0.081 17577 1800 1 3 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.461 0.239 17577 1801 1 3 . 1 1 15 15 VAL CB C 15 32.400 32.400 31.960 0.440 17577 1802 1 3 . 1 1 15 15 VAL H H 15 9.000 9.000 8.759 0.241 17577 1803 1 3 . 1 1 16 16 VAL N N 16 114.600 114.600 120.230 -5.630 17577 1804 1 3 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.527 0.123 17577 1805 1 3 . 1 1 16 16 VAL C C 16 175.900 175.900 173.723 2.177 17577 1806 1 3 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.786 1.414 17577 1807 1 3 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.715 0.885 17577 1808 1 3 . 1 1 16 16 VAL H H 16 8.420 8.420 8.830 -0.410 17577 1809 1 3 . 1 1 17 17 ALA N N 17 122.900 122.900 121.135 1.765 17577 1810 1 3 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.143 0.127 17577 1811 1 3 . 1 1 17 17 ALA C C 17 174.200 174.200 174.306 -0.106 17577 1812 1 3 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.366 0.734 17577 1813 1 3 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.250 2.850 17577 1814 1 3 . 1 1 17 17 ALA H H 17 7.590 7.590 7.528 0.062 17577 1815 1 3 . 1 1 18 18 LEU N N 18 118.000 118.000 122.870 -4.870 17577 1816 1 3 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.344 0.096 17577 1817 1 3 . 1 1 18 18 LEU C C 18 176.100 176.100 173.948 2.152 17577 1818 1 3 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.043 -0.043 17577 1819 1 3 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.518 3.282 17577 1820 1 3 . 1 1 18 18 LEU H H 18 8.570 8.570 8.072 0.498 17577 1821 1 3 . 1 1 19 19 ALA N N 19 120.300 120.300 124.235 -3.935 17577 1822 1 3 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.763 -0.333 17577 1823 1 3 . 1 1 19 19 ALA C C 19 174.400 174.400 176.354 -1.954 17577 1824 1 3 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.034 2.666 17577 1825 1 3 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.671 0.429 17577 1826 1 3 . 1 1 19 19 ALA H H 19 8.360 8.360 9.143 -0.783 17577 1827 1 3 . 1 1 20 20 SER N N 20 114.200 114.200 113.253 0.947 17577 1828 1 3 . 1 1 20 20 SER HA H 20 3.890 3.890 4.635 -0.745 17577 1829 1 3 . 1 1 20 20 SER C C 20 170.700 170.700 173.228 -2.528 17577 1830 1 3 . 1 1 20 20 SER CA C 20 57.200 57.200 58.235 -1.035 17577 1831 1 3 . 1 1 20 20 SER CB C 20 64.200 64.200 66.354 -2.154 17577 1832 1 3 . 1 1 20 20 SER H H 20 7.450 7.450 8.292 -0.842 17577 1833 1 3 . 1 1 21 21 ASN N N 21 117.500 117.500 117.397 0.103 17577 1834 1 3 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.856 0.364 17577 1835 1 3 . 1 1 21 21 ASN C C 21 176.500 176.500 174.831 1.669 17577 1836 1 3 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.514 -1.014 17577 1837 1 3 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.442 -0.142 17577 1838 1 3 . 1 1 21 21 ASN H H 21 7.980 7.980 8.446 -0.466 17577 1839 1 3 . 1 1 22 22 THR N N 22 112.100 112.100 116.740 -4.640 17577 1840 1 3 . 1 1 22 22 THR HA H 22 4.420 4.420 4.069 0.351 17577 1841 1 3 . 1 1 22 22 THR C C 22 174.800 174.800 174.490 0.310 17577 1842 1 3 . 1 1 22 22 THR CA C 22 63.200 63.200 61.186 2.014 17577 1843 1 3 . 1 1 22 22 THR CB C 22 71.800 71.800 69.251 2.549 17577 1844 1 3 . 1 1 22 22 THR H H 22 8.140 8.140 7.710 0.430 17577 1845 1 3 . 1 1 23 23 GLU N N 23 122.700 122.700 130.308 -7.608 17577 1846 1 3 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.834 0.916 17577 1847 1 3 . 1 1 23 23 GLU C C 23 178.800 178.800 177.463 1.337 17577 1848 1 3 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.235 2.065 17577 1849 1 3 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.440 0.860 17577 1850 1 3 . 1 1 23 23 GLU H H 23 8.980 8.980 8.683 0.297 17577 1851 1 3 . 1 1 24 24 PHE N N 24 118.200 118.200 117.546 0.654 17577 1852 1 3 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.169 -0.189 17577 1853 1 3 . 1 1 24 24 PHE C C 24 175.900 175.900 177.934 -2.034 17577 1854 1 3 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.073 2.827 17577 1855 1 3 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.732 2.968 17577 1856 1 3 . 1 1 24 24 PHE H H 24 8.610 8.610 6.559 2.051 17577 1857 1 3 . 1 1 25 25 PHE N N 25 119.000 119.000 119.503 -0.503 17577 1858 1 3 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.233 -0.393 17577 1859 1 3 . 1 1 25 25 PHE C C 25 176.500 176.500 177.289 -0.789 17577 1860 1 3 . 1 1 25 25 PHE CA C 25 62.800 62.800 61.813 0.987 17577 1861 1 3 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.328 1.072 17577 1862 1 3 . 1 1 25 25 PHE H H 25 7.730 7.730 7.978 -0.248 17577 1863 1 3 . 1 1 26 26 LEU N N 26 115.900 115.900 118.514 -2.614 17577 1864 1 3 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.171 -0.441 17577 1865 1 3 . 1 1 26 26 LEU C C 26 179.200 179.200 178.496 0.704 17577 1866 1 3 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.646 0.054 17577 1867 1 3 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.058 0.942 17577 1868 1 3 . 1 1 26 26 LEU H H 26 8.380 8.380 7.730 0.650 17577 1869 1 3 . 1 1 27 27 ARG N N 27 116.900 116.900 119.443 -2.543 17577 1870 1 3 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.917 0.193 17577 1871 1 3 . 1 1 27 27 ARG C C 27 178.400 178.400 178.093 0.307 17577 1872 1 3 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.485 -0.285 17577 1873 1 3 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.147 1.953 17577 1874 1 3 . 1 1 27 27 ARG H H 27 7.720 7.720 8.148 -0.428 17577 1875 1 3 . 1 1 28 28 GLU N N 28 116.000 116.000 117.553 -1.553 17577 1876 1 3 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.198 0.162 17577 1877 1 3 . 1 1 28 28 GLU C C 28 178.200 178.200 178.814 -0.614 17577 1878 1 3 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.554 -1.854 17577 1879 1 3 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.704 1.196 17577 1880 1 3 . 1 1 28 28 GLU H H 28 7.660 7.660 7.700 -0.040 17577 1881 1 3 . 1 1 29 29 LYS N N 29 120.700 120.700 119.568 1.132 17577 1882 1 3 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.039 0.101 17577 1883 1 3 . 1 1 29 29 LYS C C 29 177.900 177.900 177.521 0.379 17577 1884 1 3 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.602 1.298 17577 1885 1 3 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.282 -0.882 17577 1886 1 3 . 1 1 29 29 LYS H H 29 7.910 7.910 8.554 -0.644 17577 1887 1 3 . 1 1 30 30 ASP N N 30 118.800 118.800 116.385 2.415 17577 1888 1 3 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.511 -0.121 17577 1889 1 3 . 1 1 30 30 ASP C C 30 177.000 177.000 177.473 -0.473 17577 1890 1 3 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.128 1.072 17577 1891 1 3 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.063 -0.463 17577 1892 1 3 . 1 1 30 30 ASP H H 30 8.390 8.390 7.861 0.529 17577 1893 1 3 . 1 1 31 31 LYS N N 31 118.000 118.000 117.116 0.884 17577 1894 1 3 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.297 0.093 17577 1895 1 3 . 1 1 31 31 LYS C C 31 177.200 177.200 177.125 0.075 17577 1896 1 3 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.642 0.359 17577 1897 1 3 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.790 1.410 17577 1898 1 3 . 1 1 31 31 LYS H H 31 8.110 8.110 8.115 -0.005 17577 1899 1 3 . 1 1 32 32 MET N N 32 120.300 120.300 116.804 3.496 17577 1900 1 3 . 1 1 32 32 MET HA H 32 4.520 4.520 4.587 -0.067 17577 1901 1 3 . 1 1 32 32 MET C C 32 176.200 176.200 175.405 0.795 17577 1902 1 3 . 1 1 32 32 MET CA C 32 58.000 58.000 55.566 2.433 17577 1903 1 3 . 1 1 32 32 MET CB C 32 33.500 33.500 34.197 -0.697 17577 1904 1 3 . 1 1 32 32 MET H H 32 7.240 7.240 7.385 -0.145 17577 1905 1 3 . 1 1 33 33 LYS N N 33 120.200 120.200 117.543 2.657 17577 1906 1 3 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.594 0.106 17577 1907 1 3 . 1 1 33 33 LYS C C 33 173.000 173.000 175.885 -2.885 17577 1908 1 3 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.884 1.216 17577 1909 1 3 . 1 1 33 33 LYS CB C 33 39.100 39.100 35.506 3.594 17577 1910 1 3 . 1 1 33 33 LYS H H 33 8.560 8.560 8.071 0.489 17577 1911 1 3 . 1 1 34 34 MET N N 34 118.300 118.300 120.679 -2.379 17577 1912 1 3 . 1 1 34 34 MET HA H 34 4.080 4.080 4.157 -0.077 17577 1913 1 3 . 1 1 34 34 MET C C 34 173.800 173.800 175.034 -1.234 17577 1914 1 3 . 1 1 34 34 MET CA C 34 59.500 59.500 56.994 2.506 17577 1915 1 3 . 1 1 34 34 MET CB C 34 35.700 35.700 33.233 2.466 17577 1916 1 3 . 1 1 34 34 MET H H 34 8.370 8.370 7.874 0.496 17577 1917 1 3 . 1 1 35 35 ALA N N 35 126.000 126.000 126.806 -0.806 17577 1918 1 3 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.219 0.041 17577 1919 1 3 . 1 1 35 35 ALA C C 35 176.100 176.100 175.825 0.275 17577 1920 1 3 . 1 1 35 35 ALA CA C 35 50.600 50.600 49.990 0.610 17577 1921 1 3 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.557 1.243 17577 1922 1 3 . 1 1 35 35 ALA H H 35 7.360 7.360 8.419 -1.059 17577 1923 1 3 . 1 1 36 36 MET N N 36 117.100 117.100 114.670 2.430 17577 1924 1 3 . 1 1 36 36 MET HA H 36 5.280 5.280 5.536 -0.256 17577 1925 1 3 . 1 1 36 36 MET C C 36 172.600 172.600 174.746 -2.146 17577 1926 1 3 . 1 1 36 36 MET CA C 36 56.100 56.100 52.514 3.586 17577 1927 1 3 . 1 1 36 36 MET CB C 36 39.600 39.600 36.543 3.057 17577 1928 1 3 . 1 1 36 36 MET H H 36 8.920 8.920 8.684 0.236 17577 1929 1 3 . 1 1 37 37 ALA N N 37 121.700 121.700 120.667 1.033 17577 1930 1 3 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.954 0.476 17577 1931 1 3 . 1 1 37 37 ALA C C 37 175.400 175.400 174.815 0.585 17577 1932 1 3 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.724 -0.524 17577 1933 1 3 . 1 1 37 37 ALA CB C 37 24.400 24.400 23.086 1.314 17577 1934 1 3 . 1 1 37 37 ALA H H 37 8.980 8.980 9.200 -0.220 17577 1935 1 3 . 1 1 38 38 ARG N N 38 120.400 120.400 121.038 -0.638 17577 1936 1 3 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.821 0.329 17577 1937 1 3 . 1 1 38 38 ARG C C 38 174.900 174.900 173.933 0.967 17577 1938 1 3 . 1 1 38 38 ARG CA C 38 55.200 55.200 54.712 0.487 17577 1939 1 3 . 1 1 38 38 ARG CB C 38 34.600 34.600 32.973 1.627 17577 1940 1 3 . 1 1 38 38 ARG H H 38 9.180 9.180 7.980 1.200 17577 1941 1 3 . 1 1 39 39 ILE N N 39 126.000 126.000 125.831 0.169 17577 1942 1 3 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.913 0.007 17577 1943 1 3 . 1 1 39 39 ILE C C 39 175.100 175.100 174.023 1.077 17577 1944 1 3 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.214 0.986 17577 1945 1 3 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.724 0.676 17577 1946 1 3 . 1 1 39 39 ILE H H 39 8.930 8.930 8.488 0.442 17577 1947 1 3 . 1 1 40 40 SER N N 40 121.700 121.700 120.545 1.155 17577 1948 1 3 . 1 1 40 40 SER HA H 40 4.630 4.630 4.556 0.074 17577 1949 1 3 . 1 1 40 40 SER CA C 40 57.900 57.900 56.912 0.988 17577 1950 1 3 . 1 1 40 40 SER CB C 40 66.300 66.300 66.223 0.077 17577 1951 1 3 . 1 1 40 40 SER H H 40 8.780 8.780 7.858 0.922 17577 1952 1 3 . 1 1 41 41 PHE N N 41 122.300 122.300 121.629 0.671 17577 1953 1 3 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.729 -0.079 17577 1954 1 3 . 1 1 41 41 PHE C C 41 175.900 175.900 176.380 -0.480 17577 1955 1 3 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.620 2.480 17577 1956 1 3 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.774 2.926 17577 1957 1 3 . 1 1 41 41 PHE H H 41 9.080 9.080 8.936 0.144 17577 1958 1 3 . 1 1 42 42 LEU N N 42 125.100 125.100 123.985 1.115 17577 1959 1 3 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.104 0.526 17577 1960 1 3 . 1 1 42 42 LEU C C 42 176.400 176.400 177.529 -1.129 17577 1961 1 3 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.312 -0.812 17577 1962 1 3 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.375 1.425 17577 1963 1 3 . 1 1 42 42 LEU H H 42 8.540 8.540 8.137 0.403 17577 1964 1 3 . 1 1 43 43 GLY N N 43 108.700 108.700 103.120 5.580 17577 1965 1 3 . 1 1 43 43 GLY C C 43 173.700 173.700 174.034 -0.334 17577 1966 1 3 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.926 0.974 17577 1967 1 3 . 1 1 43 43 GLY H H 43 8.310 8.310 7.949 0.361 17577 1968 1 3 . 1 1 44 44 GLU N N 44 120.300 120.300 120.540 -0.240 17577 1969 1 3 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.218 -0.108 17577 1970 1 3 . 1 1 44 44 GLU C C 44 177.200 177.200 176.157 1.043 17577 1971 1 3 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.988 0.612 17577 1972 1 3 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.731 1.069 17577 1973 1 3 . 1 1 44 44 GLU H H 44 8.900 8.900 8.901 -0.001 17577 1974 1 3 . 1 1 45 45 ASP N N 45 115.200 115.200 114.001 1.199 17577 1975 1 3 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.896 -0.026 17577 1976 1 3 . 1 1 45 45 ASP C C 45 174.500 174.500 175.158 -0.658 17577 1977 1 3 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.610 1.190 17577 1978 1 3 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.500 2.200 17577 1979 1 3 . 1 1 45 45 ASP H H 45 8.500 8.500 8.185 0.315 17577 1980 1 3 . 1 1 46 46 GLU N N 46 117.800 117.800 118.705 -0.905 17577 1981 1 3 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.677 0.893 17577 1982 1 3 . 1 1 46 46 GLU C C 46 174.800 174.800 174.309 0.491 17577 1983 1 3 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.997 0.303 17577 1984 1 3 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.810 2.190 17577 1985 1 3 . 1 1 46 46 GLU H H 46 7.450 7.450 8.296 -0.846 17577 1986 1 3 . 1 1 47 47 LEU N N 47 124.200 124.200 124.737 -0.537 17577 1987 1 3 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.115 -0.235 17577 1988 1 3 . 1 1 47 47 LEU C C 47 173.900 173.900 174.952 -1.052 17577 1989 1 3 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.959 2.341 17577 1990 1 3 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.860 0.240 17577 1991 1 3 . 1 1 47 47 LEU H H 47 9.160 9.160 9.471 -0.311 17577 1992 1 3 . 1 1 48 48 LYS N N 48 123.800 123.800 123.220 0.580 17577 1993 1 3 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.662 0.288 17577 1994 1 3 . 1 1 48 48 LYS C C 48 174.300 174.300 174.492 -0.192 17577 1995 1 3 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.498 0.502 17577 1996 1 3 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.379 1.421 17577 1997 1 3 . 1 1 48 48 LYS H H 48 9.020 9.020 8.371 0.649 17577 1998 1 3 . 1 1 49 49 VAL N N 49 126.600 126.600 126.236 0.364 17577 1999 1 3 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.882 -0.272 17577 2000 1 3 . 1 1 49 49 VAL C C 49 173.800 173.800 174.084 -0.284 17577 2001 1 3 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.644 1.656 17577 2002 1 3 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.187 0.113 17577 2003 1 3 . 1 1 49 49 VAL H H 49 8.920 8.920 8.683 0.237 17577 2004 1 3 . 1 1 50 50 SER N N 50 120.900 120.900 119.042 1.858 17577 2005 1 3 . 1 1 50 50 SER HA H 50 4.860 4.860 4.207 0.653 17577 2006 1 3 . 1 1 50 50 SER CA C 50 57.300 57.300 55.672 1.629 17577 2007 1 3 . 1 1 50 50 SER CB C 50 65.100 65.100 64.612 0.488 17577 2008 1 3 . 1 1 50 50 SER H H 50 8.360 8.360 8.134 0.226 17577 2009 1 3 . 1 1 51 51 TYR N N 51 122.000 122.000 122.222 -0.222 17577 2010 1 3 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.139 -0.289 17577 2011 1 3 . 1 1 51 51 TYR C C 51 176.800 176.800 174.042 2.758 17577 2012 1 3 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.952 2.248 17577 2013 1 3 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.411 1.189 17577 2014 1 3 . 1 1 51 51 TYR H H 51 8.990 8.990 7.783 1.207 17577 2015 1 3 . 1 1 52 52 ALA N N 52 124.000 124.000 125.309 -1.309 17577 2016 1 3 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.935 -0.065 17577 2017 1 3 . 1 1 52 52 ALA C C 52 174.800 174.800 175.337 -0.537 17577 2018 1 3 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.833 2.167 17577 2019 1 3 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.370 0.430 17577 2020 1 3 . 1 1 52 52 ALA H H 52 8.640 8.640 9.441 -0.801 17577 2021 1 3 . 1 1 53 53 VAL N N 53 124.300 124.300 125.231 -0.931 17577 2022 1 3 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.628 0.142 17577 2023 1 3 . 1 1 53 53 VAL C C 53 174.200 174.200 173.752 0.448 17577 2024 1 3 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.389 0.911 17577 2025 1 3 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.217 2.283 17577 2026 1 3 . 1 1 53 53 VAL H H 53 9.120 9.120 8.368 0.752 17577 2027 1 3 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.583 0.117 17577 2028 1 3 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.200 2.500 17577 2029 1 3 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.749 1.151 17577 2030 1 3 . 1 1 55 55 LYS N N 55 121.100 121.100 125.055 -3.955 17577 2031 1 3 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.707 0.223 17577 2032 1 3 . 1 1 55 55 LYS CA C 55 54.600 54.600 52.559 2.041 17577 2033 1 3 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.170 0.230 17577 2034 1 3 . 1 1 55 55 LYS H H 55 8.040 8.040 7.809 0.231 17577 2035 1 3 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.245 0.035 17577 2036 1 3 . 1 1 56 56 PRO C C 56 177.200 177.200 176.238 0.962 17577 2037 1 3 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.285 1.115 17577 2038 1 3 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.676 0.624 17577 2039 1 3 . 1 1 57 57 ASN N N 57 114.200 114.200 112.592 1.608 17577 2040 1 3 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.712 0.008 17577 2041 1 3 . 1 1 57 57 ASN C C 57 174.900 174.900 175.279 -0.379 17577 2042 1 3 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.195 0.805 17577 2043 1 3 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.347 -0.047 17577 2044 1 3 . 1 1 57 57 ASN H H 57 8.370 8.370 8.433 -0.063 17577 2045 1 3 . 1 1 58 58 GLY N N 58 106.500 106.500 106.138 0.362 17577 2046 1 3 . 1 1 58 58 GLY C C 58 172.000 172.000 171.628 0.372 17577 2047 1 3 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.026 1.974 17577 2048 1 3 . 1 1 58 58 GLY H H 58 7.810 7.810 7.945 -0.135 17577 2049 1 3 . 1 1 60 60 ARG N N 60 132.300 132.300 128.672 3.628 17577 2050 1 3 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.769 -0.189 17577 2051 1 3 . 1 1 60 60 ARG C C 60 174.000 174.000 174.502 -0.502 17577 2052 1 3 . 1 1 60 60 ARG CA C 60 56.500 56.500 54.261 2.239 17577 2053 1 3 . 1 1 60 60 ARG CB C 60 32.400 32.400 31.110 1.290 17577 2054 1 3 . 1 1 60 60 ARG H H 60 9.120 9.120 8.398 0.722 17577 2055 1 3 . 1 1 61 61 LYS N N 61 126.200 126.200 124.046 2.154 17577 2056 1 3 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.967 0.553 17577 2057 1 3 . 1 1 61 61 LYS C C 61 175.900 175.900 175.224 0.676 17577 2058 1 3 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.284 0.816 17577 2059 1 3 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.259 0.841 17577 2060 1 3 . 1 1 61 61 LYS H H 61 8.500 8.500 8.564 -0.064 17577 2061 1 3 . 1 1 62 62 TRP N N 62 121.900 121.900 125.541 -3.641 17577 2062 1 3 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.956 -0.096 17577 2063 1 3 . 1 1 62 62 TRP C C 62 171.900 171.900 173.487 -1.587 17577 2064 1 3 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.398 1.302 17577 2065 1 3 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.883 0.417 17577 2066 1 3 . 1 1 62 62 TRP H H 62 8.070 8.070 8.913 -0.843 17577 2067 1 3 . 1 1 63 63 GLU N N 63 117.100 117.100 118.840 -1.740 17577 2068 1 3 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.042 1.568 17577 2069 1 3 . 1 1 63 63 GLU C C 63 175.500 175.500 174.406 1.094 17577 2070 1 3 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.145 1.055 17577 2071 1 3 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.146 2.954 17577 2072 1 3 . 1 1 63 63 GLU H H 63 8.450 8.450 7.896 0.554 17577 2073 1 3 . 1 1 64 64 THR N N 64 117.400 117.400 116.212 1.188 17577 2074 1 3 . 1 1 64 64 THR HA H 64 4.600 4.600 4.152 0.448 17577 2075 1 3 . 1 1 64 64 THR C C 64 171.800 171.800 172.735 -0.935 17577 2076 1 3 . 1 1 64 64 THR CA C 64 63.000 63.000 61.100 1.900 17577 2077 1 3 . 1 1 64 64 THR CB C 64 72.700 72.700 71.855 0.845 17577 2078 1 3 . 1 1 64 64 THR H H 64 8.980 8.980 8.028 0.952 17577 2079 1 3 . 1 1 65 65 THR N N 65 119.100 119.100 120.677 -1.577 17577 2080 1 3 . 1 1 65 65 THR HA H 65 5.260 5.260 4.580 0.680 17577 2081 1 3 . 1 1 65 65 THR C C 65 173.700 173.700 172.650 1.050 17577 2082 1 3 . 1 1 65 65 THR CA C 65 62.300 62.300 62.443 -0.143 17577 2083 1 3 . 1 1 65 65 THR CB C 65 71.100 71.100 69.522 1.579 17577 2084 1 3 . 1 1 65 65 THR H H 65 8.380 8.380 9.049 -0.669 17577 2085 1 3 . 1 1 66 66 PHE N N 66 123.400 123.400 125.963 -2.563 17577 2086 1 3 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.655 0.175 17577 2087 1 3 . 1 1 66 66 PHE C C 66 174.200 174.200 173.575 0.625 17577 2088 1 3 . 1 1 66 66 PHE CA C 66 58.100 58.100 57.107 0.993 17577 2089 1 3 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.203 3.397 17577 2090 1 3 . 1 1 66 66 PHE H H 66 9.590 9.590 9.561 0.029 17577 2091 1 3 . 1 1 67 67 LYS N N 67 119.700 119.700 121.717 -2.017 17577 2092 1 3 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.898 0.622 17577 2093 1 3 . 1 1 67 67 LYS C C 67 176.500 176.500 175.530 0.970 17577 2094 1 3 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.400 1.100 17577 2095 1 3 . 1 1 67 67 LYS CB C 67 37.300 37.300 35.987 1.313 17577 2096 1 3 . 1 1 67 67 LYS H H 67 8.880 8.880 8.824 0.056 17577 2097 1 3 . 1 1 68 68 LYS N N 68 129.100 129.100 125.320 3.780 17577 2098 1 3 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.493 0.387 17577 2099 1 3 . 1 1 68 68 LYS C C 68 177.400 177.400 176.468 0.932 17577 2100 1 3 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.383 1.317 17577 2101 1 3 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.037 2.263 17577 2102 1 3 . 1 1 68 68 LYS H H 68 8.850 8.850 8.653 0.197 17577 2103 1 3 . 1 1 69 69 THR N N 69 118.500 118.500 119.833 -1.333 17577 2104 1 3 . 1 1 69 69 THR HA H 69 4.710 4.710 4.722 -0.012 17577 2105 1 3 . 1 1 69 69 THR C C 69 174.600 174.600 173.778 0.822 17577 2106 1 3 . 1 1 69 69 THR CA C 69 61.900 61.900 60.217 1.683 17577 2107 1 3 . 1 1 69 69 THR CB C 69 70.800 70.800 70.382 0.418 17577 2108 1 3 . 1 1 69 69 THR H H 69 8.720 8.720 8.741 -0.021 17577 2109 1 3 . 1 1 70 70 SER N N 70 111.800 111.800 117.216 -5.416 17577 2110 1 3 . 1 1 70 70 SER HA H 70 4.420 4.420 4.670 -0.250 17577 2111 1 3 . 1 1 70 70 SER C C 70 174.500 174.500 175.768 -1.268 17577 2112 1 3 . 1 1 70 70 SER CA C 70 59.300 59.300 57.587 1.713 17577 2113 1 3 . 1 1 70 70 SER CB C 70 64.400 64.400 63.325 1.075 17577 2114 1 3 . 1 1 70 70 SER H H 70 8.350 8.350 8.579 -0.229 17577 2115 1 3 . 1 1 71 71 ASP N N 71 121.100 121.100 122.720 -1.620 17577 2116 1 3 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.272 0.108 17577 2117 1 3 . 1 1 71 71 ASP C C 71 175.600 175.600 175.656 -0.056 17577 2118 1 3 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.820 -0.720 17577 2119 1 3 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.011 1.990 17577 2120 1 3 . 1 1 71 71 ASP H H 71 7.960 7.960 7.739 0.221 17577 2121 1 3 . 1 1 72 72 ASP N N 72 121.000 121.000 117.977 3.023 17577 2122 1 3 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.721 -0.271 17577 2123 1 3 . 1 1 72 72 ASP C C 72 175.900 175.900 175.681 0.219 17577 2124 1 3 . 1 1 72 72 ASP CA C 72 56.100 56.100 53.962 2.138 17577 2125 1 3 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.682 1.418 17577 2126 1 3 . 1 1 72 72 ASP H H 72 8.500 8.500 8.005 0.495 17577 2127 1 3 . 1 1 73 73 GLY N N 73 109.100 109.100 110.938 -1.838 17577 2128 1 3 . 1 1 73 73 GLY C C 73 172.800 172.800 173.474 -0.674 17577 2129 1 3 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.347 0.153 17577 2130 1 3 . 1 1 73 73 GLY H H 73 8.200 8.200 7.956 0.244 17577 2131 1 3 . 1 1 74 74 GLU N N 74 123.300 123.300 125.406 -2.106 17577 2132 1 3 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.595 0.175 17577 2133 1 3 . 1 1 74 74 GLU C C 74 173.600 173.600 174.278 -0.678 17577 2134 1 3 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.685 -0.285 17577 2135 1 3 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.399 0.201 17577 2136 1 3 . 1 1 74 74 GLU H H 74 8.780 8.780 8.208 0.572 17577 2137 1 3 . 1 1 75 75 VAL N N 75 123.500 123.500 121.959 1.541 17577 2138 1 3 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.183 0.857 17577 2139 1 3 . 1 1 75 75 VAL C C 75 174.100 174.100 173.636 0.464 17577 2140 1 3 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.873 1.627 17577 2141 1 3 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.894 -1.894 17577 2142 1 3 . 1 1 75 75 VAL H H 75 7.870 7.870 7.469 0.401 17577 2143 1 3 . 1 1 76 76 TYR N N 76 125.000 125.000 121.836 3.164 17577 2144 1 3 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.391 -0.151 17577 2145 1 3 . 1 1 76 76 TYR C C 76 174.300 174.300 175.312 -1.012 17577 2146 1 3 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.094 1.706 17577 2147 1 3 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.364 2.336 17577 2148 1 3 . 1 1 76 76 TYR H H 76 9.360 9.360 8.341 1.019 17577 2149 1 3 . 1 1 77 77 TYR N N 77 120.500 120.500 117.986 2.514 17577 2150 1 3 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.704 0.176 17577 2151 1 3 . 1 1 77 77 TYR C C 77 174.600 174.600 173.705 0.895 17577 2152 1 3 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.163 1.837 17577 2153 1 3 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.140 2.460 17577 2154 1 3 . 1 1 77 77 TYR H H 77 9.480 9.480 9.441 0.039 17577 2155 1 3 . 1 1 78 78 SER N N 78 125.100 125.100 117.856 7.244 17577 2156 1 3 . 1 1 78 78 SER HA H 78 4.830 4.830 4.285 0.545 17577 2157 1 3 . 1 1 78 78 SER C C 78 174.300 174.300 175.058 -0.758 17577 2158 1 3 . 1 1 78 78 SER CA C 78 55.600 55.600 55.724 -0.124 17577 2159 1 3 . 1 1 78 78 SER CB C 78 64.400 64.400 63.293 1.107 17577 2160 1 3 . 1 1 78 78 SER H H 78 8.570 8.570 8.618 -0.048 17577 2161 1 3 . 1 1 79 79 GLU N N 79 130.000 130.000 127.710 2.290 17577 2162 1 3 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.078 -0.098 17577 2163 1 3 . 1 1 79 79 GLU C C 79 178.600 178.600 177.636 0.964 17577 2164 1 3 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.474 0.626 17577 2165 1 3 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.431 1.069 17577 2166 1 3 . 1 1 79 79 GLU H H 79 8.670 8.670 8.491 0.179 17577 2167 1 3 . 1 1 80 80 GLU N N 80 118.900 118.900 117.838 1.062 17577 2168 1 3 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.146 -0.146 17577 2169 1 3 . 1 1 80 80 GLU C C 80 177.700 177.700 176.672 1.028 17577 2170 1 3 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.469 1.531 17577 2171 1 3 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.264 1.236 17577 2172 1 3 . 1 1 80 80 GLU H H 80 8.560 8.560 8.599 -0.039 17577 2173 1 3 . 1 1 81 81 ALA N N 81 117.600 117.600 120.824 -3.224 17577 2174 1 3 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.545 -0.155 17577 2175 1 3 . 1 1 81 81 ALA C C 81 176.000 176.000 176.785 -0.785 17577 2176 1 3 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.488 0.912 17577 2177 1 3 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.149 1.451 17577 2178 1 3 . 1 1 81 81 ALA H H 81 7.410 7.410 7.145 0.265 17577 2179 1 3 . 1 1 82 82 LYS N N 82 118.300 118.300 116.690 1.610 17577 2180 1 3 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.962 -0.092 17577 2181 1 3 . 1 1 82 82 LYS C C 82 175.100 175.100 174.625 0.475 17577 2182 1 3 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.361 -0.161 17577 2183 1 3 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.416 0.884 17577 2184 1 3 . 1 1 82 82 LYS H H 82 7.830 7.830 7.739 0.091 17577 2185 1 3 . 1 1 83 83 LYS N N 83 118.400 118.400 119.170 -0.770 17577 2186 1 3 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.153 0.287 17577 2187 1 3 . 1 1 83 83 LYS C C 83 172.400 172.400 174.496 -2.096 17577 2188 1 3 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.281 0.219 17577 2189 1 3 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.357 2.743 17577 2190 1 3 . 1 1 83 83 LYS H H 83 7.150 7.150 7.554 -0.404 17577 2191 1 3 . 1 1 84 84 LYS N N 84 130.000 130.000 127.916 2.084 17577 2192 1 3 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.505 0.175 17577 2193 1 3 . 1 1 84 84 LYS C C 84 174.900 174.900 174.225 0.675 17577 2194 1 3 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.890 0.810 17577 2195 1 3 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.904 1.096 17577 2196 1 3 . 1 1 84 84 LYS H H 84 9.540 9.540 9.174 0.366 17577 2197 1 3 . 1 1 85 85 VAL N N 85 121.100 121.100 123.593 -2.493 17577 2198 1 3 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.319 -0.339 17577 2199 1 3 . 1 1 85 85 VAL C C 85 173.000 173.000 174.035 -1.035 17577 2200 1 3 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.414 1.986 17577 2201 1 3 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.869 1.831 17577 2202 1 3 . 1 1 85 85 VAL H H 85 9.510 9.510 8.750 0.760 17577 2203 1 3 . 1 1 86 86 GLU N N 86 123.700 123.700 126.358 -2.658 17577 2204 1 3 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.838 0.482 17577 2205 1 3 . 1 1 86 86 GLU C C 86 175.800 175.800 175.008 0.792 17577 2206 1 3 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.865 0.835 17577 2207 1 3 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.851 1.349 17577 2208 1 3 . 1 1 86 86 GLU H H 86 8.830 8.830 8.335 0.495 17577 2209 1 3 . 1 1 87 87 VAL N N 87 125.400 125.400 124.840 0.560 17577 2210 1 3 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.094 0.076 17577 2211 1 3 . 1 1 87 87 VAL C C 87 176.000 176.000 174.704 1.296 17577 2212 1 3 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.905 -0.405 17577 2213 1 3 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.358 0.642 17577 2214 1 3 . 1 1 87 87 VAL H H 87 8.760 8.760 9.157 -0.397 17577 2215 1 3 . 1 1 88 88 LEU N N 88 128.000 128.000 129.767 -1.767 17577 2216 1 3 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.598 -0.208 17577 2217 1 3 . 1 1 88 88 LEU C C 88 177.200 177.200 176.578 0.622 17577 2218 1 3 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.419 1.581 17577 2219 1 3 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.930 1.270 17577 2220 1 3 . 1 1 88 88 LEU H H 88 8.990 8.990 8.511 0.479 17577 2221 1 3 . 1 1 89 89 ASP N N 89 113.900 113.900 116.861 -2.961 17577 2222 1 3 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.759 0.021 17577 2223 1 3 . 1 1 89 89 ASP C C 89 173.900 173.900 174.071 -0.171 17577 2224 1 3 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.846 1.054 17577 2225 1 3 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.241 2.359 17577 2226 1 3 . 1 1 89 89 ASP H H 89 7.140 7.140 7.776 -0.636 17577 2227 1 3 . 1 1 90 90 THR N N 90 119.500 119.500 119.407 0.093 17577 2228 1 3 . 1 1 90 90 THR HA H 90 3.800 3.800 4.589 -0.789 17577 2229 1 3 . 1 1 90 90 THR C C 90 169.800 169.800 173.271 -3.471 17577 2230 1 3 . 1 1 90 90 THR CA C 90 61.500 61.500 61.848 -0.348 17577 2231 1 3 . 1 1 90 90 THR CB C 90 69.200 69.200 70.757 -1.557 17577 2232 1 3 . 1 1 90 90 THR H H 90 8.070 8.070 8.323 -0.253 17577 2233 1 3 . 1 1 91 91 ASP N N 91 122.400 122.400 129.022 -6.622 17577 2234 1 3 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.468 0.382 17577 2235 1 3 . 1 1 91 91 ASP C C 91 176.800 176.800 176.512 0.288 17577 2236 1 3 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.703 0.197 17577 2237 1 3 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.172 0.728 17577 2238 1 3 . 1 1 91 91 ASP H H 91 6.790 6.790 8.769 -1.979 17577 2239 1 3 . 1 1 92 92 TYR N N 92 115.100 115.100 114.764 0.336 17577 2240 1 3 . 1 1 92 92 TYR HA H 92 3.510 3.510 4.006 -0.496 17577 2241 1 3 . 1 1 92 92 TYR C C 92 173.900 173.900 174.392 -0.492 17577 2242 1 3 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.642 2.658 17577 2243 1 3 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.468 0.132 17577 2244 1 3 . 1 1 92 92 TYR H H 92 9.420 9.420 8.434 0.986 17577 2245 1 3 . 1 1 93 93 LYS N N 93 112.300 112.300 115.805 -3.505 17577 2246 1 3 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.366 0.304 17577 2247 1 3 . 1 1 93 93 LYS C C 93 175.600 175.600 175.725 -0.125 17577 2248 1 3 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.671 2.829 17577 2249 1 3 . 1 1 93 93 LYS CB C 93 37.800 37.800 34.317 3.483 17577 2250 1 3 . 1 1 93 93 LYS H H 93 8.080 8.080 8.299 -0.219 17577 2251 1 3 . 1 1 94 94 SER N N 94 120.300 120.300 111.662 8.638 17577 2252 1 3 . 1 1 94 94 SER HA H 94 4.820 4.820 4.524 0.296 17577 2253 1 3 . 1 1 94 94 SER CA C 94 61.200 61.200 59.121 2.079 17577 2254 1 3 . 1 1 94 94 SER CB C 94 68.800 68.800 65.057 3.743 17577 2255 1 3 . 1 1 94 94 SER H H 94 11.420 11.420 7.680 3.740 17577 2256 1 3 . 1 1 95 95 TYR N N 95 122.700 122.700 115.313 7.387 17577 2257 1 3 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.417 0.733 17577 2258 1 3 . 1 1 95 95 TYR C C 95 173.500 173.500 173.569 -0.069 17577 2259 1 3 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.057 2.543 17577 2260 1 3 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.140 1.460 17577 2261 1 3 . 1 1 95 95 TYR H H 95 8.490 8.490 7.131 1.359 17577 2262 1 3 . 1 1 96 96 ALA N N 96 120.900 120.900 120.560 0.340 17577 2263 1 3 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.981 -0.431 17577 2264 1 3 . 1 1 96 96 ALA C C 96 174.700 174.700 174.923 -0.223 17577 2265 1 3 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.921 1.579 17577 2266 1 3 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.450 1.250 17577 2267 1 3 . 1 1 96 96 ALA H H 96 9.010 9.010 8.662 0.348 17577 2268 1 3 . 1 1 97 97 VAL N N 97 121.700 121.700 122.545 -0.845 17577 2269 1 3 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.240 -0.220 17577 2270 1 3 . 1 1 97 97 VAL C C 97 174.300 174.300 174.665 -0.365 17577 2271 1 3 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.891 2.309 17577 2272 1 3 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.153 0.447 17577 2273 1 3 . 1 1 97 97 VAL H H 97 9.310 9.310 8.961 0.349 17577 2274 1 3 . 1 1 98 98 ILE N N 98 129.600 129.600 124.481 5.119 17577 2275 1 3 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.640 0.410 17577 2276 1 3 . 1 1 98 98 ILE C C 98 174.000 174.000 174.377 -0.377 17577 2277 1 3 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.658 -0.458 17577 2278 1 3 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.263 0.437 17577 2279 1 3 . 1 1 98 98 ILE H H 98 9.550 9.550 8.369 1.181 17577 2280 1 3 . 1 1 99 99 TYR N N 99 128.100 128.100 126.729 1.371 17577 2281 1 3 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.802 0.458 17577 2282 1 3 . 1 1 99 99 TYR C C 99 173.700 173.700 174.146 -0.446 17577 2283 1 3 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.244 0.456 17577 2284 1 3 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.462 2.737 17577 2285 1 3 . 1 1 99 99 TYR H H 99 9.550 9.550 8.174 1.376 17577 2286 1 3 . 1 1 100 100 ALA N N 100 134.400 134.400 131.374 3.026 17577 2287 1 3 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.548 0.172 17577 2288 1 3 . 1 1 100 100 ALA C C 100 175.500 175.500 175.690 -0.190 17577 2289 1 3 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.853 1.547 17577 2290 1 3 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.657 3.243 17577 2291 1 3 . 1 1 100 100 ALA H H 100 9.610 9.610 8.523 1.087 17577 2292 1 3 . 1 1 101 101 THR N N 101 116.200 116.200 117.110 -0.910 17577 2293 1 3 . 1 1 101 101 THR HA H 101 5.450 5.450 4.800 0.650 17577 2294 1 3 . 1 1 101 101 THR C C 101 173.600 173.600 172.896 0.704 17577 2295 1 3 . 1 1 101 101 THR CA C 101 62.000 62.000 61.368 0.632 17577 2296 1 3 . 1 1 101 101 THR CB C 101 73.100 73.100 71.230 1.870 17577 2297 1 3 . 1 1 101 101 THR H H 101 9.430 9.430 8.852 0.578 17577 2298 1 3 . 1 1 102 102 ARG N N 102 125.700 125.700 129.394 -3.694 17577 2299 1 3 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.370 -0.160 17577 2300 1 3 . 1 1 102 102 ARG C C 102 173.900 173.900 173.590 0.310 17577 2301 1 3 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.578 0.922 17577 2302 1 3 . 1 1 102 102 ARG CB C 102 36.100 36.100 34.168 1.932 17577 2303 1 3 . 1 1 102 102 ARG H H 102 8.970 8.970 8.210 0.760 17577 2304 1 3 . 1 1 103 103 VAL N N 103 122.100 122.100 125.869 -3.769 17577 2305 1 3 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.652 0.118 17577 2306 1 3 . 1 1 103 103 VAL C C 103 175.700 175.700 173.585 2.115 17577 2307 1 3 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.225 1.175 17577 2308 1 3 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.674 -1.274 17577 2309 1 3 . 1 1 103 103 VAL H H 103 7.870 7.870 8.126 -0.256 17577 2310 1 3 . 1 1 104 104 LYS N N 104 130.100 130.100 127.484 2.616 17577 2311 1 3 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.560 -0.100 17577 2312 1 3 . 1 1 104 104 LYS C C 104 175.400 175.400 175.754 -0.354 17577 2313 1 3 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.017 1.983 17577 2314 1 3 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.885 1.515 17577 2315 1 3 . 1 1 104 104 LYS H H 104 8.980 8.980 8.788 0.192 17577 2316 1 3 . 1 1 106 106 GLY N N 106 136.200 136.200 113.418 22.782 17577 2317 1 3 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.917 1.483 17577 2318 1 3 . 1 1 106 106 GLY H H 106 8.330 8.330 8.685 -0.355 17577 2319 1 3 . 1 1 107 107 ARG N N 107 121.300 121.300 121.507 -0.207 17577 2320 1 3 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.718 -0.048 17577 2321 1 3 . 1 1 107 107 ARG C C 107 174.500 174.500 174.632 -0.132 17577 2322 1 3 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.917 0.483 17577 2323 1 3 . 1 1 107 107 ARG CB C 107 33.200 33.200 32.926 0.274 17577 2324 1 3 . 1 1 107 107 ARG H H 107 7.880 7.880 7.945 -0.065 17577 2325 1 3 . 1 1 108 108 THR N N 108 118.800 118.800 118.341 0.459 17577 2326 1 3 . 1 1 108 108 THR HA H 108 4.490 4.490 4.759 -0.269 17577 2327 1 3 . 1 1 108 108 THR C C 108 173.400 173.400 173.732 -0.332 17577 2328 1 3 . 1 1 108 108 THR CA C 108 64.100 64.100 61.530 2.570 17577 2329 1 3 . 1 1 108 108 THR CB C 108 69.800 69.800 71.012 -1.212 17577 2330 1 3 . 1 1 108 108 THR H H 108 8.650 8.650 8.379 0.271 17577 2331 1 3 . 1 1 109 109 LEU N N 109 128.900 128.900 121.777 7.123 17577 2332 1 3 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.934 -0.204 17577 2333 1 3 . 1 1 109 109 LEU C C 109 175.700 175.700 174.174 1.526 17577 2334 1 3 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.276 0.024 17577 2335 1 3 . 1 1 109 109 LEU CB C 109 46.500 46.500 45.399 1.101 17577 2336 1 3 . 1 1 109 109 LEU H H 109 9.220 9.220 8.425 0.795 17577 2337 1 3 . 1 1 110 110 HIS N N 110 116.200 116.200 116.134 0.066 17577 2338 1 3 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.265 0.775 17577 2339 1 3 . 1 1 110 110 HIS C C 110 175.300 175.300 173.672 1.628 17577 2340 1 3 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.044 1.256 17577 2341 1 3 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.780 1.720 17577 2342 1 3 . 1 1 110 110 HIS H H 110 8.490 8.490 7.829 0.661 17577 2343 1 3 . 1 1 111 111 MET N N 111 123.400 123.400 114.982 8.418 17577 2344 1 3 . 1 1 111 111 MET HA H 111 4.550 4.550 4.780 -0.230 17577 2345 1 3 . 1 1 111 111 MET C C 111 174.000 174.000 174.082 -0.082 17577 2346 1 3 . 1 1 111 111 MET CA C 111 56.600 56.600 54.453 2.147 17577 2347 1 3 . 1 1 111 111 MET CB C 111 37.800 37.800 36.814 0.986 17577 2348 1 3 . 1 1 111 111 MET H H 111 9.090 9.090 8.667 0.423 17577 2349 1 3 . 1 1 112 112 MET N N 112 122.900 122.900 118.277 4.623 17577 2350 1 3 . 1 1 112 112 MET HA H 112 5.670 5.670 5.218 0.452 17577 2351 1 3 . 1 1 112 112 MET C C 112 175.400 175.400 175.863 -0.463 17577 2352 1 3 . 1 1 112 112 MET CA C 112 55.100 55.100 53.869 1.231 17577 2353 1 3 . 1 1 112 112 MET CB C 112 37.200 37.200 34.282 2.918 17577 2354 1 3 . 1 1 112 112 MET H H 112 9.120 9.120 8.518 0.602 17577 2355 1 3 . 1 1 113 113 ARG N N 113 119.500 119.500 123.997 -4.497 17577 2356 1 3 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.984 0.066 17577 2357 1 3 . 1 1 113 113 ARG C C 113 173.800 173.800 173.507 0.293 17577 2358 1 3 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.905 1.095 17577 2359 1 3 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.215 4.385 17577 2360 1 3 . 1 1 113 113 ARG H H 113 9.390 9.390 8.677 0.713 17577 2361 1 3 . 1 1 114 114 LEU N N 114 124.400 124.400 129.217 -4.817 17577 2362 1 3 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.639 -0.609 17577 2363 1 3 . 1 1 114 114 LEU C C 114 174.200 174.200 174.527 -0.327 17577 2364 1 3 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.183 0.917 17577 2365 1 3 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.350 -1.450 17577 2366 1 3 . 1 1 114 114 LEU H H 114 8.020 8.020 9.339 -1.319 17577 2367 1 3 . 1 1 115 115 TYR N N 115 126.000 126.000 128.008 -2.008 17577 2368 1 3 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.715 0.085 17577 2369 1 3 . 1 1 115 115 TYR C C 115 176.500 176.500 173.512 2.988 17577 2370 1 3 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.748 3.252 17577 2371 1 3 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.412 0.488 17577 2372 1 3 . 1 1 115 115 TYR H H 115 9.540 9.540 8.890 0.650 17577 2373 1 3 . 1 1 116 116 SER N N 116 113.200 113.200 115.042 -1.842 17577 2374 1 3 . 1 1 116 116 SER HA H 116 5.840 5.840 4.794 1.046 17577 2375 1 3 . 1 1 116 116 SER C C 116 175.400 175.400 173.977 1.423 17577 2376 1 3 . 1 1 116 116 SER CA C 116 56.600 56.600 55.142 1.458 17577 2377 1 3 . 1 1 116 116 SER CB C 116 67.700 67.700 65.736 1.964 17577 2378 1 3 . 1 1 116 116 SER H H 116 9.930 9.930 8.839 1.091 17577 2379 1 3 . 1 1 117 117 ARG N N 117 130.500 130.500 125.960 4.540 17577 2380 1 3 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.085 -0.405 17577 2381 1 3 . 1 1 117 117 ARG C C 117 175.400 175.400 176.414 -1.014 17577 2382 1 3 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.354 1.946 17577 2383 1 3 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.993 1.507 17577 2384 1 3 . 1 1 117 117 ARG H H 117 8.350 8.350 8.366 -0.016 17577 2385 1 3 . 1 1 118 118 SER N N 118 111.300 111.300 112.004 -0.704 17577 2386 1 3 . 1 1 118 118 SER HA H 118 4.990 4.990 4.742 0.248 17577 2387 1 3 . 1 1 118 118 SER C C 118 173.400 173.400 172.447 0.953 17577 2388 1 3 . 1 1 118 118 SER CA C 118 54.800 54.800 54.384 0.416 17577 2389 1 3 . 1 1 118 118 SER CB C 118 65.800 65.800 64.549 1.251 17577 2390 1 3 . 1 1 118 118 SER H H 118 7.980 7.980 7.387 0.593 17577 2391 1 3 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.088 -0.118 17577 2392 1 3 . 1 1 119 119 PRO C C 119 175.500 175.500 176.328 -0.828 17577 2393 1 3 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.134 0.966 17577 2394 1 3 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.871 0.329 17577 2395 1 3 . 1 1 120 120 GLU N N 120 117.500 117.500 117.004 0.496 17577 2396 1 3 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.302 -0.042 17577 2397 1 3 . 1 1 120 120 GLU C C 120 174.500 174.500 175.331 -0.831 17577 2398 1 3 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.699 0.101 17577 2399 1 3 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.514 -0.814 17577 2400 1 3 . 1 1 120 120 GLU H H 120 7.410 7.410 7.418 -0.008 17577 2401 1 3 . 1 1 121 121 VAL N N 121 124.900 124.900 119.635 5.265 17577 2402 1 3 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.200 -0.060 17577 2403 1 3 . 1 1 121 121 VAL C C 121 174.400 174.400 175.569 -1.169 17577 2404 1 3 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.164 0.536 17577 2405 1 3 . 1 1 121 121 VAL CB C 121 34.100 34.100 31.534 2.566 17577 2406 1 3 . 1 1 121 121 VAL H H 121 7.900 7.900 8.223 -0.323 17577 2407 1 3 . 1 1 122 122 SER N N 122 124.500 124.500 123.722 0.778 17577 2408 1 3 . 1 1 122 122 SER HA H 122 4.750 4.750 4.766 -0.016 17577 2409 1 3 . 1 1 122 122 SER CA C 122 57.300 57.300 55.665 1.635 17577 2410 1 3 . 1 1 122 122 SER CB C 122 64.500 64.500 64.567 -0.067 17577 2411 1 3 . 1 1 122 122 SER H H 122 8.680 8.680 8.543 0.137 17577 2412 1 3 . 1 1 123 123 PRO C C 123 175.600 175.600 177.310 -1.710 17577 2413 1 3 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.586 1.314 17577 2414 1 3 . 1 1 124 124 ALA N N 124 120.100 120.100 120.764 -0.664 17577 2415 1 3 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.067 0.003 17577 2416 1 3 . 1 1 124 124 ALA C C 124 179.900 179.900 178.949 0.951 17577 2417 1 3 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.639 1.161 17577 2418 1 3 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.924 1.176 17577 2419 1 3 . 1 1 124 124 ALA H H 124 8.030 8.030 7.686 0.344 17577 2420 1 3 . 1 1 125 125 ALA N N 125 121.100 121.100 120.994 0.106 17577 2421 1 3 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.171 0.259 17577 2422 1 3 . 1 1 125 125 ALA C C 125 179.200 179.200 179.775 -0.575 17577 2423 1 3 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.674 0.926 17577 2424 1 3 . 1 1 125 125 ALA CB C 125 19.200 19.200 17.966 1.234 17577 2425 1 3 . 1 1 125 125 ALA H H 125 7.510 7.510 7.295 0.215 17577 2426 1 3 . 1 1 126 126 THR N N 126 113.200 113.200 113.994 -0.794 17577 2427 1 3 . 1 1 126 126 THR HA H 126 4.150 4.150 3.978 0.172 17577 2428 1 3 . 1 1 126 126 THR C C 126 176.100 176.100 176.490 -0.390 17577 2429 1 3 . 1 1 126 126 THR CA C 126 68.900 68.900 65.875 3.025 17577 2430 1 3 . 1 1 126 126 THR CB C 126 67.700 67.700 68.811 -1.111 17577 2431 1 3 . 1 1 126 126 THR H H 126 7.820 7.820 7.512 0.308 17577 2432 1 3 . 1 1 127 127 ALA N N 127 123.100 123.100 124.798 -1.698 17577 2433 1 3 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.112 -0.032 17577 2434 1 3 . 1 1 127 127 ALA C C 127 181.100 181.100 178.844 2.256 17577 2435 1 3 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.018 1.182 17577 2436 1 3 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.440 0.260 17577 2437 1 3 . 1 1 127 127 ALA H H 127 7.900 7.900 7.668 0.232 17577 2438 1 3 . 1 1 128 128 ILE N N 128 120.900 120.900 119.992 0.908 17577 2439 1 3 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.773 -0.033 17577 2440 1 3 . 1 1 128 128 ILE C C 128 177.300 177.300 176.965 0.335 17577 2441 1 3 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.380 2.220 17577 2442 1 3 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.913 2.487 17577 2443 1 3 . 1 1 128 128 ILE H H 128 7.640 7.640 8.341 -0.701 17577 2444 1 3 . 1 1 129 129 PHE N N 129 120.300 120.300 119.383 0.917 17577 2445 1 3 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.010 0.000 17577 2446 1 3 . 1 1 129 129 PHE C C 129 176.100 176.100 177.069 -0.969 17577 2447 1 3 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.165 1.135 17577 2448 1 3 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.061 1.839 17577 2449 1 3 . 1 1 129 129 PHE H H 129 8.250 8.250 7.773 0.477 17577 2450 1 3 . 1 1 130 130 ARG N N 130 116.300 116.300 119.321 -3.021 17577 2451 1 3 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.999 -0.439 17577 2452 1 3 . 1 1 130 130 ARG C C 130 179.400 179.400 178.295 1.105 17577 2453 1 3 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.090 2.010 17577 2454 1 3 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.362 0.238 17577 2455 1 3 . 1 1 130 130 ARG H H 130 8.650 8.650 7.809 0.841 17577 2456 1 3 . 1 1 131 131 LYS N N 131 122.200 122.200 119.558 2.642 17577 2457 1 3 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.916 0.114 17577 2458 1 3 . 1 1 131 131 LYS C C 131 179.300 179.300 179.173 0.127 17577 2459 1 3 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.792 0.708 17577 2460 1 3 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.235 0.965 17577 2461 1 3 . 1 1 131 131 LYS H H 131 8.020 8.020 7.794 0.226 17577 2462 1 3 . 1 1 132 132 LEU N N 132 120.300 120.300 116.416 3.884 17577 2463 1 3 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.140 -0.210 17577 2464 1 3 . 1 1 132 132 LEU C C 132 179.600 179.600 178.948 0.652 17577 2465 1 3 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.672 0.928 17577 2466 1 3 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.109 1.391 17577 2467 1 3 . 1 1 132 132 LEU H H 132 8.450 8.450 7.353 1.097 17577 2468 1 3 . 1 1 133 133 ALA N N 133 122.400 122.400 121.145 1.255 17577 2469 1 3 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.515 0.455 17577 2470 1 3 . 1 1 133 133 ALA C C 133 180.400 180.400 179.309 1.091 17577 2471 1 3 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.315 1.685 17577 2472 1 3 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.861 0.039 17577 2473 1 3 . 1 1 133 133 ALA H H 133 8.750 8.750 7.258 1.492 17577 2474 1 3 . 1 1 134 134 GLY N N 134 107.400 107.400 105.841 1.559 17577 2475 1 3 . 1 1 134 134 GLY C C 134 178.200 178.200 176.335 1.865 17577 2476 1 3 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.809 1.291 17577 2477 1 3 . 1 1 134 134 GLY H H 134 8.130 8.130 8.560 -0.430 17577 2478 1 3 . 1 1 135 135 GLU N N 135 121.900 121.900 121.294 0.606 17577 2479 1 3 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.139 -0.089 17577 2480 1 3 . 1 1 135 135 GLU C C 135 177.400 177.400 177.503 -0.103 17577 2481 1 3 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.089 1.211 17577 2482 1 3 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.511 0.889 17577 2483 1 3 . 1 1 135 135 GLU H H 135 7.730 7.730 7.601 0.129 17577 2484 1 3 . 1 1 136 136 ARG N N 136 118.000 118.000 115.928 2.072 17577 2485 1 3 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.430 -0.280 17577 2486 1 3 . 1 1 136 136 ARG C C 136 173.500 173.500 175.186 -1.686 17577 2487 1 3 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.376 0.424 17577 2488 1 3 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.338 -1.438 17577 2489 1 3 . 1 1 136 136 ARG H H 136 7.130 7.130 7.347 -0.217 17577 2490 1 3 . 1 1 137 137 ASN N N 137 109.600 109.600 115.329 -5.729 17577 2491 1 3 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.438 -0.288 17577 2492 1 3 . 1 1 137 137 ASN C C 137 174.200 174.200 174.804 -0.604 17577 2493 1 3 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.232 1.768 17577 2494 1 3 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.858 0.342 17577 2495 1 3 . 1 1 137 137 ASN H H 137 7.560 7.560 8.381 -0.821 17577 2496 1 3 . 1 1 138 138 TYR N N 138 118.600 118.600 116.615 1.985 17577 2497 1 3 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.843 0.447 17577 2498 1 3 . 1 1 138 138 TYR C C 138 175.900 175.900 175.044 0.856 17577 2499 1 3 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.341 1.359 17577 2500 1 3 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.924 -2.324 17577 2501 1 3 . 1 1 138 138 TYR H H 138 8.020 8.020 8.025 -0.005 17577 2502 1 3 . 1 1 139 139 THR N N 139 115.000 115.000 110.512 4.488 17577 2503 1 3 . 1 1 139 139 THR HA H 139 4.420 4.420 4.086 0.334 17577 2504 1 3 . 1 1 139 139 THR C C 139 175.500 175.500 175.146 0.354 17577 2505 1 3 . 1 1 139 139 THR CA C 139 61.400 61.400 59.095 2.305 17577 2506 1 3 . 1 1 139 139 THR CB C 139 71.400 71.400 72.003 -0.603 17577 2507 1 3 . 1 1 139 139 THR H H 139 7.740 7.740 8.070 -0.330 17577 2508 1 3 . 1 1 140 140 ASP N N 140 117.900 117.900 124.084 -6.184 17577 2509 1 3 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.176 0.084 17577 2510 1 3 . 1 1 140 140 ASP C C 140 178.400 178.400 177.992 0.408 17577 2511 1 3 . 1 1 140 140 ASP CA C 140 59.000 59.000 58.140 0.860 17577 2512 1 3 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.401 1.399 17577 2513 1 3 . 1 1 140 140 ASP H H 140 8.630 8.630 8.688 -0.058 17577 2514 1 3 . 1 1 141 141 GLU N N 141 116.800 116.800 117.338 -0.538 17577 2515 1 3 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.090 0.180 17577 2516 1 3 . 1 1 141 141 GLU C C 141 176.200 176.200 177.881 -1.681 17577 2517 1 3 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.166 0.934 17577 2518 1 3 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.172 0.928 17577 2519 1 3 . 1 1 141 141 GLU H H 141 8.500 8.500 8.061 0.439 17577 2520 1 3 . 1 1 142 142 MET N N 142 117.400 117.400 115.663 1.737 17577 2521 1 3 . 1 1 142 142 MET HA H 142 4.490 4.490 4.381 0.109 17577 2522 1 3 . 1 1 142 142 MET C C 142 172.900 172.900 175.953 -3.053 17577 2523 1 3 . 1 1 142 142 MET CA C 142 57.100 57.100 57.468 -0.368 17577 2524 1 3 . 1 1 142 142 MET CB C 142 33.400 33.400 33.840 -0.440 17577 2525 1 3 . 1 1 142 142 MET H H 142 7.960 7.960 7.818 0.142 17577 2526 1 3 . 1 1 143 143 VAL N N 143 116.800 116.800 117.755 -0.955 17577 2527 1 3 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.702 0.088 17577 2528 1 3 . 1 1 143 143 VAL C C 143 175.600 175.600 173.963 1.637 17577 2529 1 3 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.677 2.523 17577 2530 1 3 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.550 -0.050 17577 2531 1 3 . 1 1 143 143 VAL H H 143 7.120 7.120 7.951 -0.831 17577 2532 1 3 . 1 1 144 144 ALA N N 144 131.000 131.000 132.347 -1.347 17577 2533 1 3 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.837 -0.027 17577 2534 1 3 . 1 1 144 144 ALA C C 144 175.800 175.800 175.682 0.118 17577 2535 1 3 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.650 0.850 17577 2536 1 3 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.550 1.050 17577 2537 1 3 . 1 1 144 144 ALA H H 144 9.600 9.600 8.424 1.176 17577 2538 1 3 . 1 1 145 145 MET N N 145 122.400 122.400 125.016 -2.616 17577 2539 1 3 . 1 1 145 145 MET HA H 145 4.890 4.890 4.930 -0.040 17577 2540 1 3 . 1 1 145 145 MET C C 145 176.900 176.900 174.963 1.937 17577 2541 1 3 . 1 1 145 145 MET CA C 145 54.000 54.000 55.696 -1.696 17577 2542 1 3 . 1 1 145 145 MET CB C 145 30.100 30.100 34.110 -4.010 17577 2543 1 3 . 1 1 145 145 MET H H 145 8.630 8.630 8.578 0.052 17577 2544 1 3 . 1 1 146 146 LEU N N 146 125.400 125.400 126.315 -0.915 17577 2545 1 3 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.864 -0.324 17577 2546 1 3 . 1 1 146 146 LEU C C 146 174.500 174.500 174.812 -0.312 17577 2547 1 3 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.506 2.394 17577 2548 1 3 . 1 1 146 146 LEU CB C 146 42.800 42.800 43.675 -0.875 17577 2549 1 3 . 1 1 146 146 LEU H H 146 7.880 7.880 8.333 -0.453 17577 2550 1 3 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.703 -0.123 17577 2551 1 3 . 1 1 147 147 PRO C C 147 176.200 176.200 177.038 -0.838 17577 2552 1 3 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.407 0.893 17577 2553 1 3 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.034 0.566 17577 2554 1 3 . 1 1 148 148 ARG N N 148 120.700 120.700 118.962 1.738 17577 2555 1 3 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.124 0.146 17577 2556 1 3 . 1 1 148 148 ARG C C 148 175.500 175.500 176.319 -0.819 17577 2557 1 3 . 1 1 148 148 ARG CA C 148 58.300 58.300 58.068 0.232 17577 2558 1 3 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.145 2.256 17577 2559 1 3 . 1 1 148 148 ARG H H 148 8.540 8.540 8.634 -0.094 17577 2560 1 3 . 1 1 149 149 GLN N N 149 115.000 115.000 119.120 -4.120 17577 2561 1 3 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.179 0.541 17577 2562 1 3 . 1 1 149 149 GLN C C 149 174.300 174.300 175.108 -0.808 17577 2563 1 3 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.767 -0.867 17577 2564 1 3 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.195 0.505 17577 2565 1 3 . 1 1 149 149 GLN H H 149 7.770 7.770 7.808 -0.038 17577 2566 1 3 . 1 1 150 150 GLU N N 150 117.800 117.800 121.177 -3.377 17577 2567 1 3 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.596 -0.126 17577 2568 1 3 . 1 1 150 150 GLU C C 150 175.800 175.800 175.397 0.403 17577 2569 1 3 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.918 1.382 17577 2570 1 3 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.797 0.604 17577 2571 1 3 . 1 1 150 150 GLU H H 150 8.570 8.570 8.464 0.106 17577 2572 1 3 . 1 1 151 151 GLU N N 151 119.200 119.200 119.866 -0.666 17577 2573 1 3 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.492 -0.232 17577 2574 1 3 . 1 1 151 151 GLU C C 151 176.000 176.000 175.720 0.280 17577 2575 1 3 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.710 2.790 17577 2576 1 3 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.469 1.731 17577 2577 1 3 . 1 1 151 151 GLU H H 151 8.000 8.000 8.817 -0.817 17577 2578 1 3 . 1 1 152 152 CYS N N 152 122.100 122.100 117.972 4.128 17577 2579 1 3 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.977 0.163 17577 2580 1 3 . 1 1 152 152 CYS C C 152 172.800 172.800 173.420 -0.620 17577 2581 1 3 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.944 -3.944 17577 2582 1 3 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.627 4.273 17577 2583 1 3 . 1 1 152 152 CYS H H 152 9.620 9.620 8.023 1.597 17577 2584 1 3 . 1 1 153 153 THR N N 153 118.000 118.000 113.913 4.087 17577 2585 1 3 . 1 1 153 153 THR HA H 153 4.860 4.860 4.783 0.077 17577 2586 1 3 . 1 1 153 153 THR C C 153 173.000 173.000 173.360 -0.360 17577 2587 1 3 . 1 1 153 153 THR CA C 153 59.800 59.800 60.709 -0.909 17577 2588 1 3 . 1 1 153 153 THR CB C 153 72.500 72.500 70.867 1.633 17577 2589 1 3 . 1 1 153 153 THR H H 153 8.490 8.490 8.251 0.239 17577 2590 1 3 . 1 1 154 154 VAL N N 154 114.900 114.900 119.047 -4.147 17577 2591 1 3 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.239 -0.119 17577 2592 1 3 . 1 1 154 154 VAL C C 154 175.500 175.500 175.294 0.206 17577 2593 1 3 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.167 -0.167 17577 2594 1 3 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.618 0.482 17577 2595 1 3 . 1 1 154 154 VAL H H 154 6.920 6.920 8.228 -1.308 17577 2596 1 3 . 1 1 155 155 ASP N N 155 124.100 124.100 121.878 2.222 17577 2597 1 3 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.761 -0.271 17577 2598 1 3 . 1 1 155 155 ASP C C 155 175.800 175.800 176.970 -1.170 17577 2599 1 3 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.190 2.510 17577 2600 1 3 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.218 0.082 17577 2601 1 3 . 1 1 155 155 ASP H H 155 8.390 8.390 8.364 0.026 17577 2602 1 3 . 1 1 156 156 GLU N N 156 121.000 121.000 120.012 0.988 17577 2603 1 3 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.101 0.069 17577 2604 1 3 . 1 1 156 156 GLU C C 156 175.400 175.400 176.496 -1.096 17577 2605 1 3 . 1 1 156 156 GLU CA C 156 57.500 57.500 58.050 -0.550 17577 2606 1 3 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.647 1.753 17577 2607 1 3 . 1 1 156 156 GLU H H 156 8.450 8.450 8.639 -0.189 17577 2608 1 4 . 1 1 4 4 PRO C C 4 175.800 175.800 175.829 -0.029 17577 2609 1 4 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.487 1.813 17577 2610 1 4 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.649 0.351 17577 2611 1 4 . 1 1 5 5 ASP N N 5 119.400 119.400 125.253 -5.853 17577 2612 1 4 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.633 -0.123 17577 2613 1 4 . 1 1 5 5 ASP C C 5 177.100 177.100 177.771 -0.671 17577 2614 1 4 . 1 1 5 5 ASP CA C 5 54.800 54.800 53.895 0.905 17577 2615 1 4 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.988 1.412 17577 2616 1 4 . 1 1 5 5 ASP H H 5 8.090 8.090 8.580 -0.490 17577 2617 1 4 . 1 1 6 6 ARG N N 6 124.800 124.800 127.916 -3.116 17577 2618 1 4 . 1 1 6 6 ARG C C 6 177.300 177.300 177.491 -0.191 17577 2619 1 4 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.930 0.070 17577 2620 1 4 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.519 0.981 17577 2621 1 4 . 1 1 6 6 ARG H H 6 8.590 8.590 8.815 -0.225 17577 2622 1 4 . 1 1 7 7 SER N N 7 113.800 113.800 115.114 -1.314 17577 2623 1 4 . 1 1 7 7 SER CA C 7 62.400 62.400 61.468 0.933 17577 2624 1 4 . 1 1 7 7 SER CB C 7 63.800 63.800 62.831 0.969 17577 2625 1 4 . 1 1 7 7 SER H H 7 8.240 8.240 8.382 -0.142 17577 2626 1 4 . 1 1 8 8 GLU N N 8 120.200 120.200 120.608 -0.408 17577 2627 1 4 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.057 0.273 17577 2628 1 4 . 1 1 8 8 GLU C C 8 177.100 177.100 179.141 -2.041 17577 2629 1 4 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.948 -0.248 17577 2630 1 4 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.627 1.273 17577 2631 1 4 . 1 1 8 8 GLU H H 8 8.030 8.030 8.072 -0.042 17577 2632 1 4 . 1 1 9 9 ILE N N 9 112.800 112.800 117.418 -4.618 17577 2633 1 4 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.873 0.477 17577 2634 1 4 . 1 1 9 9 ILE C C 9 175.000 175.000 175.293 -0.293 17577 2635 1 4 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.919 1.481 17577 2636 1 4 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.780 2.220 17577 2637 1 4 . 1 1 9 9 ILE H H 9 7.530 7.530 7.748 -0.218 17577 2638 1 4 . 1 1 10 10 ALA N N 10 120.400 120.400 122.079 -1.679 17577 2639 1 4 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.548 -0.478 17577 2640 1 4 . 1 1 10 10 ALA C C 10 177.500 177.500 177.354 0.146 17577 2641 1 4 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.722 0.278 17577 2642 1 4 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.217 1.183 17577 2643 1 4 . 1 1 10 10 ALA H H 10 7.410 7.410 8.204 -0.794 17577 2644 1 4 . 1 1 11 11 GLY N N 11 108.300 108.300 110.520 -2.220 17577 2645 1 4 . 1 1 11 11 GLY C C 11 173.700 173.700 173.585 0.115 17577 2646 1 4 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.966 0.334 17577 2647 1 4 . 1 1 11 11 GLY H H 11 8.780 8.780 8.324 0.456 17577 2648 1 4 . 1 1 12 12 LYS N N 12 122.300 122.300 121.781 0.519 17577 2649 1 4 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.830 -0.000 17577 2650 1 4 . 1 1 12 12 LYS C C 12 175.900 175.900 174.945 0.955 17577 2651 1 4 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.343 1.957 17577 2652 1 4 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.545 0.455 17577 2653 1 4 . 1 1 12 12 LYS H H 12 8.740 8.740 7.676 1.064 17577 2654 1 4 . 1 1 13 13 TRP N N 13 126.000 126.000 127.216 -1.216 17577 2655 1 4 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.165 -0.535 17577 2656 1 4 . 1 1 13 13 TRP C C 13 173.300 173.300 174.637 -1.337 17577 2657 1 4 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.951 1.749 17577 2658 1 4 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.281 4.119 17577 2659 1 4 . 1 1 13 13 TRP H H 13 9.440 9.440 9.796 -0.356 17577 2660 1 4 . 1 1 14 14 TYR N N 14 118.300 118.300 123.960 -5.660 17577 2661 1 4 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.827 0.223 17577 2662 1 4 . 1 1 14 14 TYR C C 14 175.400 175.400 174.911 0.489 17577 2663 1 4 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.410 1.390 17577 2664 1 4 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.328 1.173 17577 2665 1 4 . 1 1 14 14 TYR H H 14 9.370 9.370 8.807 0.563 17577 2666 1 4 . 1 1 15 15 VAL N N 15 124.200 124.200 126.360 -2.160 17577 2667 1 4 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.333 -0.293 17577 2668 1 4 . 1 1 15 15 VAL C C 15 175.500 175.500 175.632 -0.132 17577 2669 1 4 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.798 -0.098 17577 2670 1 4 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.129 0.271 17577 2671 1 4 . 1 1 15 15 VAL H H 15 9.000 9.000 8.659 0.341 17577 2672 1 4 . 1 1 16 16 VAL N N 16 114.600 114.600 119.153 -4.553 17577 2673 1 4 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.512 0.138 17577 2674 1 4 . 1 1 16 16 VAL C C 16 175.900 175.900 173.664 2.236 17577 2675 1 4 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.048 1.151 17577 2676 1 4 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.229 0.371 17577 2677 1 4 . 1 1 16 16 VAL H H 16 8.420 8.420 8.993 -0.573 17577 2678 1 4 . 1 1 17 17 ALA N N 17 122.900 122.900 121.040 1.860 17577 2679 1 4 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.016 0.254 17577 2680 1 4 . 1 1 17 17 ALA C C 17 174.200 174.200 174.201 -0.001 17577 2681 1 4 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.385 0.715 17577 2682 1 4 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.349 2.751 17577 2683 1 4 . 1 1 17 17 ALA H H 17 7.590 7.590 7.483 0.107 17577 2684 1 4 . 1 1 18 18 LEU N N 18 118.000 118.000 122.259 -4.259 17577 2685 1 4 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.203 0.237 17577 2686 1 4 . 1 1 18 18 LEU C C 18 176.100 176.100 173.925 2.175 17577 2687 1 4 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.998 0.002 17577 2688 1 4 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.399 3.401 17577 2689 1 4 . 1 1 18 18 LEU H H 18 8.570 8.570 8.009 0.561 17577 2690 1 4 . 1 1 19 19 ALA N N 19 120.300 120.300 124.318 -4.018 17577 2691 1 4 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.691 -0.261 17577 2692 1 4 . 1 1 19 19 ALA C C 19 174.400 174.400 175.917 -1.517 17577 2693 1 4 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.083 2.617 17577 2694 1 4 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.668 0.432 17577 2695 1 4 . 1 1 19 19 ALA H H 19 8.360 8.360 8.935 -0.575 17577 2696 1 4 . 1 1 20 20 SER N N 20 114.200 114.200 113.595 0.605 17577 2697 1 4 . 1 1 20 20 SER HA H 20 3.890 3.890 4.711 -0.821 17577 2698 1 4 . 1 1 20 20 SER C C 20 170.700 170.700 173.069 -2.369 17577 2699 1 4 . 1 1 20 20 SER CA C 20 57.200 57.200 57.865 -0.666 17577 2700 1 4 . 1 1 20 20 SER CB C 20 64.200 64.200 65.057 -0.857 17577 2701 1 4 . 1 1 20 20 SER H H 20 7.450 7.450 8.411 -0.961 17577 2702 1 4 . 1 1 21 21 ASN N N 21 117.500 117.500 116.528 0.972 17577 2703 1 4 . 1 1 21 21 ASN HA H 21 5.220 5.220 5.009 0.211 17577 2704 1 4 . 1 1 21 21 ASN C C 21 176.500 176.500 175.188 1.312 17577 2705 1 4 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.419 -0.919 17577 2706 1 4 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.089 0.211 17577 2707 1 4 . 1 1 21 21 ASN H H 21 7.980 7.980 8.517 -0.537 17577 2708 1 4 . 1 1 22 22 THR N N 22 112.100 112.100 117.165 -5.065 17577 2709 1 4 . 1 1 22 22 THR HA H 22 4.420 4.420 4.041 0.379 17577 2710 1 4 . 1 1 22 22 THR C C 22 174.800 174.800 174.695 0.105 17577 2711 1 4 . 1 1 22 22 THR CA C 22 63.200 63.200 61.186 2.014 17577 2712 1 4 . 1 1 22 22 THR CB C 22 71.800 71.800 69.181 2.619 17577 2713 1 4 . 1 1 22 22 THR H H 22 8.140 8.140 7.728 0.412 17577 2714 1 4 . 1 1 23 23 GLU N N 23 122.700 122.700 129.735 -7.035 17577 2715 1 4 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.807 0.943 17577 2716 1 4 . 1 1 23 23 GLU C C 23 178.800 178.800 177.618 1.182 17577 2717 1 4 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.215 2.086 17577 2718 1 4 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.415 0.885 17577 2719 1 4 . 1 1 23 23 GLU H H 23 8.980 8.980 8.437 0.543 17577 2720 1 4 . 1 1 24 24 PHE N N 24 118.200 118.200 117.651 0.549 17577 2721 1 4 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.169 -0.189 17577 2722 1 4 . 1 1 24 24 PHE C C 24 175.900 175.900 177.976 -2.076 17577 2723 1 4 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.922 2.978 17577 2724 1 4 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.644 3.056 17577 2725 1 4 . 1 1 24 24 PHE H H 24 8.610 8.610 6.546 2.064 17577 2726 1 4 . 1 1 25 25 PHE N N 25 119.000 119.000 119.540 -0.540 17577 2727 1 4 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.255 -0.415 17577 2728 1 4 . 1 1 25 25 PHE C C 25 176.500 176.500 177.482 -0.982 17577 2729 1 4 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.811 1.989 17577 2730 1 4 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.059 1.341 17577 2731 1 4 . 1 1 25 25 PHE H H 25 7.730 7.730 8.107 -0.377 17577 2732 1 4 . 1 1 26 26 LEU N N 26 115.900 115.900 118.642 -2.742 17577 2733 1 4 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.185 -0.455 17577 2734 1 4 . 1 1 26 26 LEU C C 26 179.200 179.200 178.735 0.465 17577 2735 1 4 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.445 0.255 17577 2736 1 4 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.069 0.931 17577 2737 1 4 . 1 1 26 26 LEU H H 26 8.380 8.380 7.686 0.694 17577 2738 1 4 . 1 1 27 27 ARG N N 27 116.900 116.900 119.358 -2.458 17577 2739 1 4 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.008 0.102 17577 2740 1 4 . 1 1 27 27 ARG C C 27 178.400 178.400 178.314 0.086 17577 2741 1 4 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.801 0.399 17577 2742 1 4 . 1 1 27 27 ARG CB C 27 32.100 32.100 29.764 2.336 17577 2743 1 4 . 1 1 27 27 ARG H H 27 7.720 7.720 8.233 -0.513 17577 2744 1 4 . 1 1 28 28 GLU N N 28 116.000 116.000 117.475 -1.475 17577 2745 1 4 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.275 0.085 17577 2746 1 4 . 1 1 28 28 GLU C C 28 178.200 178.200 178.976 -0.776 17577 2747 1 4 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.676 -1.976 17577 2748 1 4 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.845 1.055 17577 2749 1 4 . 1 1 28 28 GLU H H 28 7.660 7.660 7.847 -0.187 17577 2750 1 4 . 1 1 29 29 LYS N N 29 120.700 120.700 119.861 0.839 17577 2751 1 4 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.124 0.016 17577 2752 1 4 . 1 1 29 29 LYS C C 29 177.900 177.900 177.586 0.314 17577 2753 1 4 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.545 1.355 17577 2754 1 4 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.190 -0.790 17577 2755 1 4 . 1 1 29 29 LYS H H 29 7.910 7.910 8.676 -0.766 17577 2756 1 4 . 1 1 30 30 ASP N N 30 118.800 118.800 116.354 2.446 17577 2757 1 4 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.505 -0.115 17577 2758 1 4 . 1 1 30 30 ASP C C 30 177.000 177.000 177.469 -0.469 17577 2759 1 4 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.114 1.086 17577 2760 1 4 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.071 -0.471 17577 2761 1 4 . 1 1 30 30 ASP H H 30 8.390 8.390 7.880 0.510 17577 2762 1 4 . 1 1 31 31 LYS N N 31 118.000 118.000 117.406 0.594 17577 2763 1 4 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.437 -0.047 17577 2764 1 4 . 1 1 31 31 LYS C C 31 177.200 177.200 177.409 -0.209 17577 2765 1 4 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.440 0.560 17577 2766 1 4 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.875 1.325 17577 2767 1 4 . 1 1 31 31 LYS H H 31 8.110 8.110 8.179 -0.069 17577 2768 1 4 . 1 1 32 32 MET N N 32 120.300 120.300 117.826 2.474 17577 2769 1 4 . 1 1 32 32 MET HA H 32 4.520 4.520 4.603 -0.083 17577 2770 1 4 . 1 1 32 32 MET C C 32 176.200 176.200 175.140 1.060 17577 2771 1 4 . 1 1 32 32 MET CA C 32 58.000 58.000 55.643 2.357 17577 2772 1 4 . 1 1 32 32 MET CB C 32 33.500 33.500 34.129 -0.629 17577 2773 1 4 . 1 1 32 32 MET H H 32 7.240 7.240 7.486 -0.246 17577 2774 1 4 . 1 1 33 33 LYS N N 33 120.200 120.200 117.581 2.619 17577 2775 1 4 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.524 0.176 17577 2776 1 4 . 1 1 33 33 LYS C C 33 173.000 173.000 176.210 -3.210 17577 2777 1 4 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.626 1.474 17577 2778 1 4 . 1 1 33 33 LYS CB C 33 39.100 39.100 35.035 4.065 17577 2779 1 4 . 1 1 33 33 LYS H H 33 8.560 8.560 8.111 0.449 17577 2780 1 4 . 1 1 34 34 MET N N 34 118.300 118.300 120.487 -2.187 17577 2781 1 4 . 1 1 34 34 MET HA H 34 4.080 4.080 4.062 0.018 17577 2782 1 4 . 1 1 34 34 MET C C 34 173.800 173.800 174.963 -1.163 17577 2783 1 4 . 1 1 34 34 MET CA C 34 59.500 59.500 56.947 2.553 17577 2784 1 4 . 1 1 34 34 MET CB C 34 35.700 35.700 33.163 2.537 17577 2785 1 4 . 1 1 34 34 MET H H 34 8.370 8.370 7.889 0.481 17577 2786 1 4 . 1 1 35 35 ALA N N 35 126.000 126.000 127.390 -1.390 17577 2787 1 4 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.142 0.118 17577 2788 1 4 . 1 1 35 35 ALA C C 35 176.100 176.100 175.889 0.211 17577 2789 1 4 . 1 1 35 35 ALA CA C 35 50.600 50.600 49.952 0.648 17577 2790 1 4 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.334 1.466 17577 2791 1 4 . 1 1 35 35 ALA H H 35 7.360 7.360 8.277 -0.917 17577 2792 1 4 . 1 1 36 36 MET N N 36 117.100 117.100 115.092 2.008 17577 2793 1 4 . 1 1 36 36 MET HA H 36 5.280 5.280 5.425 -0.145 17577 2794 1 4 . 1 1 36 36 MET C C 36 172.600 172.600 174.700 -2.100 17577 2795 1 4 . 1 1 36 36 MET CA C 36 56.100 56.100 52.633 3.467 17577 2796 1 4 . 1 1 36 36 MET CB C 36 39.600 39.600 36.617 2.983 17577 2797 1 4 . 1 1 36 36 MET H H 36 8.920 8.920 8.656 0.264 17577 2798 1 4 . 1 1 37 37 ALA N N 37 121.700 121.700 121.061 0.639 17577 2799 1 4 . 1 1 37 37 ALA HA H 37 5.430 5.430 5.056 0.374 17577 2800 1 4 . 1 1 37 37 ALA C C 37 175.400 175.400 174.759 0.641 17577 2801 1 4 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.757 -0.557 17577 2802 1 4 . 1 1 37 37 ALA CB C 37 24.400 24.400 23.038 1.362 17577 2803 1 4 . 1 1 37 37 ALA H H 37 8.980 8.980 9.330 -0.350 17577 2804 1 4 . 1 1 38 38 ARG N N 38 120.400 120.400 120.119 0.281 17577 2805 1 4 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.830 0.321 17577 2806 1 4 . 1 1 38 38 ARG C C 38 174.900 174.900 173.800 1.100 17577 2807 1 4 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.073 0.127 17577 2808 1 4 . 1 1 38 38 ARG CB C 38 34.600 34.600 32.818 1.782 17577 2809 1 4 . 1 1 38 38 ARG H H 38 9.180 9.180 7.986 1.194 17577 2810 1 4 . 1 1 39 39 ILE N N 39 126.000 126.000 124.010 1.990 17577 2811 1 4 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.974 -0.054 17577 2812 1 4 . 1 1 39 39 ILE C C 39 175.100 175.100 174.368 0.732 17577 2813 1 4 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.198 1.002 17577 2814 1 4 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.704 0.696 17577 2815 1 4 . 1 1 39 39 ILE H H 39 8.930 8.930 8.523 0.407 17577 2816 1 4 . 1 1 40 40 SER N N 40 121.700 121.700 121.042 0.658 17577 2817 1 4 . 1 1 40 40 SER HA H 40 4.630 4.630 4.725 -0.095 17577 2818 1 4 . 1 1 40 40 SER CA C 40 57.900 57.900 57.243 0.657 17577 2819 1 4 . 1 1 40 40 SER CB C 40 66.300 66.300 66.186 0.114 17577 2820 1 4 . 1 1 40 40 SER H H 40 8.780 8.780 7.884 0.896 17577 2821 1 4 . 1 1 41 41 PHE N N 41 122.300 122.300 121.965 0.335 17577 2822 1 4 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.763 -0.113 17577 2823 1 4 . 1 1 41 41 PHE C C 41 175.900 175.900 176.198 -0.298 17577 2824 1 4 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.456 2.643 17577 2825 1 4 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.071 2.629 17577 2826 1 4 . 1 1 41 41 PHE H H 41 9.080 9.080 8.971 0.109 17577 2827 1 4 . 1 1 42 42 LEU N N 42 125.100 125.100 123.946 1.154 17577 2828 1 4 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.097 0.533 17577 2829 1 4 . 1 1 42 42 LEU C C 42 176.400 176.400 177.521 -1.121 17577 2830 1 4 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.333 -0.833 17577 2831 1 4 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.365 1.435 17577 2832 1 4 . 1 1 42 42 LEU H H 42 8.540 8.540 7.983 0.557 17577 2833 1 4 . 1 1 43 43 GLY N N 43 108.700 108.700 102.571 6.129 17577 2834 1 4 . 1 1 43 43 GLY C C 43 173.700 173.700 174.323 -0.623 17577 2835 1 4 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.995 0.905 17577 2836 1 4 . 1 1 43 43 GLY H H 43 8.310 8.310 7.949 0.361 17577 2837 1 4 . 1 1 44 44 GLU N N 44 120.300 120.300 121.047 -0.747 17577 2838 1 4 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.233 -0.123 17577 2839 1 4 . 1 1 44 44 GLU C C 44 177.200 177.200 176.706 0.494 17577 2840 1 4 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.146 0.454 17577 2841 1 4 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.640 1.160 17577 2842 1 4 . 1 1 44 44 GLU H H 44 8.900 8.900 8.873 0.027 17577 2843 1 4 . 1 1 45 45 ASP N N 45 115.200 115.200 113.861 1.339 17577 2844 1 4 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.822 0.048 17577 2845 1 4 . 1 1 45 45 ASP C C 45 174.500 174.500 175.508 -1.008 17577 2846 1 4 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.367 1.433 17577 2847 1 4 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.418 2.282 17577 2848 1 4 . 1 1 45 45 ASP H H 45 8.500 8.500 8.154 0.346 17577 2849 1 4 . 1 1 46 46 GLU N N 46 117.800 117.800 118.938 -1.138 17577 2850 1 4 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.644 0.926 17577 2851 1 4 . 1 1 46 46 GLU C C 46 174.800 174.800 174.245 0.555 17577 2852 1 4 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.019 0.281 17577 2853 1 4 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.805 2.195 17577 2854 1 4 . 1 1 46 46 GLU H H 46 7.450 7.450 8.291 -0.841 17577 2855 1 4 . 1 1 47 47 LEU N N 47 124.200 124.200 124.737 -0.537 17577 2856 1 4 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.078 -0.198 17577 2857 1 4 . 1 1 47 47 LEU C C 47 173.900 173.900 174.934 -1.034 17577 2858 1 4 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.923 2.377 17577 2859 1 4 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.776 0.324 17577 2860 1 4 . 1 1 47 47 LEU H H 47 9.160 9.160 9.447 -0.287 17577 2861 1 4 . 1 1 48 48 LYS N N 48 123.800 123.800 123.194 0.606 17577 2862 1 4 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.541 0.409 17577 2863 1 4 . 1 1 48 48 LYS C C 48 174.300 174.300 174.482 -0.182 17577 2864 1 4 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.505 0.495 17577 2865 1 4 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.366 1.434 17577 2866 1 4 . 1 1 48 48 LYS H H 48 9.020 9.020 8.392 0.628 17577 2867 1 4 . 1 1 49 49 VAL N N 49 126.600 126.600 126.317 0.283 17577 2868 1 4 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.880 -0.270 17577 2869 1 4 . 1 1 49 49 VAL C C 49 173.800 173.800 174.002 -0.202 17577 2870 1 4 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.709 1.591 17577 2871 1 4 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.119 0.181 17577 2872 1 4 . 1 1 49 49 VAL H H 49 8.920 8.920 8.534 0.386 17577 2873 1 4 . 1 1 50 50 SER N N 50 120.900 120.900 119.630 1.270 17577 2874 1 4 . 1 1 50 50 SER HA H 50 4.860 4.860 4.223 0.637 17577 2875 1 4 . 1 1 50 50 SER CA C 50 57.300 57.300 55.970 1.330 17577 2876 1 4 . 1 1 50 50 SER CB C 50 65.100 65.100 65.269 -0.169 17577 2877 1 4 . 1 1 50 50 SER H H 50 8.360 8.360 8.346 0.014 17577 2878 1 4 . 1 1 51 51 TYR N N 51 122.000 122.000 123.529 -1.529 17577 2879 1 4 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.085 -0.235 17577 2880 1 4 . 1 1 51 51 TYR C C 51 176.800 176.800 174.070 2.730 17577 2881 1 4 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.771 2.429 17577 2882 1 4 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.360 1.240 17577 2883 1 4 . 1 1 51 51 TYR H H 51 8.990 8.990 7.832 1.158 17577 2884 1 4 . 1 1 52 52 ALA N N 52 124.000 124.000 125.358 -1.358 17577 2885 1 4 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.893 -0.023 17577 2886 1 4 . 1 1 52 52 ALA C C 52 174.800 174.800 175.312 -0.512 17577 2887 1 4 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.867 2.133 17577 2888 1 4 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.175 0.625 17577 2889 1 4 . 1 1 52 52 ALA H H 52 8.640 8.640 9.421 -0.781 17577 2890 1 4 . 1 1 53 53 VAL N N 53 124.300 124.300 125.254 -0.954 17577 2891 1 4 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.670 0.100 17577 2892 1 4 . 1 1 53 53 VAL C C 53 174.200 174.200 173.981 0.219 17577 2893 1 4 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.572 0.728 17577 2894 1 4 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.521 1.979 17577 2895 1 4 . 1 1 53 53 VAL H H 53 9.120 9.120 8.376 0.744 17577 2896 1 4 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.547 0.153 17577 2897 1 4 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.123 2.576 17577 2898 1 4 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.752 0.148 17577 2899 1 4 . 1 1 55 55 LYS N N 55 121.100 121.100 119.361 1.739 17577 2900 1 4 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.713 0.217 17577 2901 1 4 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.581 0.019 17577 2902 1 4 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.297 0.103 17577 2903 1 4 . 1 1 55 55 LYS H H 55 8.040 8.040 8.280 -0.240 17577 2904 1 4 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.242 0.038 17577 2905 1 4 . 1 1 56 56 PRO C C 56 177.200 177.200 176.679 0.521 17577 2906 1 4 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.763 1.637 17577 2907 1 4 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.784 0.516 17577 2908 1 4 . 1 1 57 57 ASN N N 57 114.200 114.200 114.293 -0.093 17577 2909 1 4 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.803 -0.083 17577 2910 1 4 . 1 1 57 57 ASN C C 57 174.900 174.900 174.503 0.397 17577 2911 1 4 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.544 1.456 17577 2912 1 4 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.106 0.194 17577 2913 1 4 . 1 1 57 57 ASN H H 57 8.370 8.370 8.187 0.183 17577 2914 1 4 . 1 1 58 58 GLY N N 58 106.500 106.500 106.947 -0.447 17577 2915 1 4 . 1 1 58 58 GLY C C 58 172.000 172.000 170.754 1.246 17577 2916 1 4 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.945 2.055 17577 2917 1 4 . 1 1 58 58 GLY H H 58 7.810 7.810 8.152 -0.342 17577 2918 1 4 . 1 1 60 60 ARG N N 60 132.300 132.300 127.330 4.970 17577 2919 1 4 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.741 -0.161 17577 2920 1 4 . 1 1 60 60 ARG C C 60 174.000 174.000 174.283 -0.283 17577 2921 1 4 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.324 1.176 17577 2922 1 4 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.255 0.145 17577 2923 1 4 . 1 1 60 60 ARG H H 60 9.120 9.120 8.508 0.612 17577 2924 1 4 . 1 1 61 61 LYS N N 61 126.200 126.200 124.457 1.743 17577 2925 1 4 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.930 0.590 17577 2926 1 4 . 1 1 61 61 LYS C C 61 175.900 175.900 175.065 0.835 17577 2927 1 4 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.174 0.926 17577 2928 1 4 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.312 0.788 17577 2929 1 4 . 1 1 61 61 LYS H H 61 8.500 8.500 8.494 0.006 17577 2930 1 4 . 1 1 62 62 TRP N N 62 121.900 121.900 125.937 -4.037 17577 2931 1 4 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.971 -0.111 17577 2932 1 4 . 1 1 62 62 TRP C C 62 171.900 171.900 173.493 -1.593 17577 2933 1 4 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.491 1.209 17577 2934 1 4 . 1 1 62 62 TRP CB C 62 31.300 31.300 31.186 0.114 17577 2935 1 4 . 1 1 62 62 TRP H H 62 8.070 8.070 8.937 -0.867 17577 2936 1 4 . 1 1 63 63 GLU N N 63 117.100 117.100 119.654 -2.554 17577 2937 1 4 . 1 1 63 63 GLU HA H 63 5.610 5.610 3.987 1.623 17577 2938 1 4 . 1 1 63 63 GLU C C 63 175.500 175.500 174.161 1.339 17577 2939 1 4 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.150 1.050 17577 2940 1 4 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.452 2.648 17577 2941 1 4 . 1 1 63 63 GLU H H 63 8.450 8.450 7.787 0.663 17577 2942 1 4 . 1 1 64 64 THR N N 64 117.400 117.400 115.985 1.415 17577 2943 1 4 . 1 1 64 64 THR HA H 64 4.600 4.600 4.168 0.432 17577 2944 1 4 . 1 1 64 64 THR C C 64 171.800 171.800 172.419 -0.619 17577 2945 1 4 . 1 1 64 64 THR CA C 64 63.000 63.000 61.195 1.805 17577 2946 1 4 . 1 1 64 64 THR CB C 64 72.700 72.700 72.265 0.435 17577 2947 1 4 . 1 1 64 64 THR H H 64 8.980 8.980 7.897 1.083 17577 2948 1 4 . 1 1 65 65 THR N N 65 119.100 119.100 119.823 -0.723 17577 2949 1 4 . 1 1 65 65 THR HA H 65 5.260 5.260 4.443 0.817 17577 2950 1 4 . 1 1 65 65 THR C C 65 173.700 173.700 172.849 0.851 17577 2951 1 4 . 1 1 65 65 THR CA C 65 62.300 62.300 62.285 0.015 17577 2952 1 4 . 1 1 65 65 THR CB C 65 71.100 71.100 69.698 1.402 17577 2953 1 4 . 1 1 65 65 THR H H 65 8.380 8.380 8.295 0.085 17577 2954 1 4 . 1 1 66 66 PHE N N 66 123.400 123.400 126.262 -2.862 17577 2955 1 4 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.734 0.096 17577 2956 1 4 . 1 1 66 66 PHE C C 66 174.200 174.200 173.777 0.423 17577 2957 1 4 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.673 1.427 17577 2958 1 4 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.301 3.299 17577 2959 1 4 . 1 1 66 66 PHE H H 66 9.590 9.590 9.465 0.125 17577 2960 1 4 . 1 1 67 67 LYS N N 67 119.700 119.700 121.733 -2.033 17577 2961 1 4 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.902 0.618 17577 2962 1 4 . 1 1 67 67 LYS C C 67 176.500 176.500 175.555 0.945 17577 2963 1 4 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.417 1.083 17577 2964 1 4 . 1 1 67 67 LYS CB C 67 37.300 37.300 35.998 1.302 17577 2965 1 4 . 1 1 67 67 LYS H H 67 8.880 8.880 8.723 0.157 17577 2966 1 4 . 1 1 68 68 LYS N N 68 129.100 129.100 125.272 3.828 17577 2967 1 4 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.346 0.534 17577 2968 1 4 . 1 1 68 68 LYS C C 68 177.400 177.400 176.465 0.935 17577 2969 1 4 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.434 1.266 17577 2970 1 4 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.953 2.348 17577 2971 1 4 . 1 1 68 68 LYS H H 68 8.850 8.850 8.645 0.205 17577 2972 1 4 . 1 1 69 69 THR N N 69 118.500 118.500 120.359 -1.859 17577 2973 1 4 . 1 1 69 69 THR HA H 69 4.710 4.710 4.712 -0.002 17577 2974 1 4 . 1 1 69 69 THR C C 69 174.600 174.600 174.282 0.318 17577 2975 1 4 . 1 1 69 69 THR CA C 69 61.900 61.900 59.746 2.154 17577 2976 1 4 . 1 1 69 69 THR CB C 69 70.800 70.800 70.221 0.579 17577 2977 1 4 . 1 1 69 69 THR H H 69 8.720 8.720 8.599 0.121 17577 2978 1 4 . 1 1 70 70 SER N N 70 111.800 111.800 117.650 -5.850 17577 2979 1 4 . 1 1 70 70 SER HA H 70 4.420 4.420 4.644 -0.224 17577 2980 1 4 . 1 1 70 70 SER C C 70 174.500 174.500 175.586 -1.086 17577 2981 1 4 . 1 1 70 70 SER CA C 70 59.300 59.300 59.083 0.217 17577 2982 1 4 . 1 1 70 70 SER CB C 70 64.400 64.400 63.203 1.197 17577 2983 1 4 . 1 1 70 70 SER H H 70 8.350 8.350 8.523 -0.173 17577 2984 1 4 . 1 1 71 71 ASP N N 71 121.100 121.100 122.914 -1.814 17577 2985 1 4 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.244 0.136 17577 2986 1 4 . 1 1 71 71 ASP C C 71 175.600 175.600 175.746 -0.146 17577 2987 1 4 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.725 -0.625 17577 2988 1 4 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.827 2.173 17577 2989 1 4 . 1 1 71 71 ASP H H 71 7.960 7.960 7.790 0.170 17577 2990 1 4 . 1 1 72 72 ASP N N 72 121.000 121.000 118.113 2.887 17577 2991 1 4 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.573 -0.123 17577 2992 1 4 . 1 1 72 72 ASP C C 72 175.900 175.900 175.867 0.033 17577 2993 1 4 . 1 1 72 72 ASP CA C 72 56.100 56.100 53.992 2.108 17577 2994 1 4 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.880 1.220 17577 2995 1 4 . 1 1 72 72 ASP H H 72 8.500 8.500 7.796 0.704 17577 2996 1 4 . 1 1 73 73 GLY N N 73 109.100 109.100 113.285 -4.185 17577 2997 1 4 . 1 1 73 73 GLY C C 73 172.800 172.800 174.239 -1.439 17577 2998 1 4 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.447 0.053 17577 2999 1 4 . 1 1 73 73 GLY H H 73 8.200 8.200 8.288 -0.088 17577 3000 1 4 . 1 1 74 74 GLU N N 74 123.300 123.300 125.605 -2.305 17577 3001 1 4 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.490 0.280 17577 3002 1 4 . 1 1 74 74 GLU C C 74 173.600 173.600 174.282 -0.682 17577 3003 1 4 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.779 -0.379 17577 3004 1 4 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.323 0.277 17577 3005 1 4 . 1 1 74 74 GLU H H 74 8.780 8.780 8.271 0.509 17577 3006 1 4 . 1 1 75 75 VAL N N 75 123.500 123.500 122.120 1.380 17577 3007 1 4 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.206 0.834 17577 3008 1 4 . 1 1 75 75 VAL C C 75 174.100 174.100 173.690 0.410 17577 3009 1 4 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.900 1.600 17577 3010 1 4 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.731 -1.731 17577 3011 1 4 . 1 1 75 75 VAL H H 75 7.870 7.870 7.542 0.328 17577 3012 1 4 . 1 1 76 76 TYR N N 76 125.000 125.000 121.896 3.104 17577 3013 1 4 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.316 -0.076 17577 3014 1 4 . 1 1 76 76 TYR C C 76 174.300 174.300 175.227 -0.927 17577 3015 1 4 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.142 1.658 17577 3016 1 4 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.411 2.289 17577 3017 1 4 . 1 1 76 76 TYR H H 76 9.360 9.360 8.312 1.048 17577 3018 1 4 . 1 1 77 77 TYR N N 77 120.500 120.500 117.419 3.081 17577 3019 1 4 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.594 0.286 17577 3020 1 4 . 1 1 77 77 TYR C C 77 174.600 174.600 173.666 0.934 17577 3021 1 4 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.271 1.729 17577 3022 1 4 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.028 2.572 17577 3023 1 4 . 1 1 77 77 TYR H H 77 9.480 9.480 9.451 0.029 17577 3024 1 4 . 1 1 78 78 SER N N 78 125.100 125.100 118.285 6.815 17577 3025 1 4 . 1 1 78 78 SER HA H 78 4.830 4.830 4.227 0.603 17577 3026 1 4 . 1 1 78 78 SER C C 78 174.300 174.300 174.595 -0.295 17577 3027 1 4 . 1 1 78 78 SER CA C 78 55.600 55.600 56.409 -0.809 17577 3028 1 4 . 1 1 78 78 SER CB C 78 64.400 64.400 63.286 1.114 17577 3029 1 4 . 1 1 78 78 SER H H 78 8.570 8.570 8.459 0.111 17577 3030 1 4 . 1 1 79 79 GLU N N 79 130.000 130.000 126.983 3.017 17577 3031 1 4 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.065 -0.085 17577 3032 1 4 . 1 1 79 79 GLU C C 79 178.600 178.600 177.638 0.962 17577 3033 1 4 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.292 0.808 17577 3034 1 4 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.328 1.172 17577 3035 1 4 . 1 1 79 79 GLU H H 79 8.670 8.670 8.425 0.245 17577 3036 1 4 . 1 1 80 80 GLU N N 80 118.900 118.900 118.123 0.777 17577 3037 1 4 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.170 -0.170 17577 3038 1 4 . 1 1 80 80 GLU C C 80 177.700 177.700 176.560 1.140 17577 3039 1 4 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.651 1.349 17577 3040 1 4 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.070 1.429 17577 3041 1 4 . 1 1 80 80 GLU H H 80 8.560 8.560 8.639 -0.079 17577 3042 1 4 . 1 1 81 81 ALA N N 81 117.600 117.600 121.002 -3.402 17577 3043 1 4 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.438 -0.048 17577 3044 1 4 . 1 1 81 81 ALA C C 81 176.000 176.000 177.061 -1.061 17577 3045 1 4 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.242 1.158 17577 3046 1 4 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.745 1.855 17577 3047 1 4 . 1 1 81 81 ALA H H 81 7.410 7.410 7.726 -0.316 17577 3048 1 4 . 1 1 82 82 LYS N N 82 118.300 118.300 116.978 1.322 17577 3049 1 4 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.960 -0.090 17577 3050 1 4 . 1 1 82 82 LYS C C 82 175.100 175.100 174.658 0.442 17577 3051 1 4 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.368 -0.168 17577 3052 1 4 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.695 0.605 17577 3053 1 4 . 1 1 82 82 LYS H H 82 7.830 7.830 7.703 0.127 17577 3054 1 4 . 1 1 83 83 LYS N N 83 118.400 118.400 119.478 -1.078 17577 3055 1 4 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.227 0.213 17577 3056 1 4 . 1 1 83 83 LYS C C 83 172.400 172.400 174.435 -2.035 17577 3057 1 4 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.263 0.237 17577 3058 1 4 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.460 2.640 17577 3059 1 4 . 1 1 83 83 LYS H H 83 7.150 7.150 7.506 -0.356 17577 3060 1 4 . 1 1 84 84 LYS N N 84 130.000 130.000 127.894 2.106 17577 3061 1 4 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.466 0.214 17577 3062 1 4 . 1 1 84 84 LYS C C 84 174.900 174.900 174.261 0.639 17577 3063 1 4 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.920 0.780 17577 3064 1 4 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.926 1.074 17577 3065 1 4 . 1 1 84 84 LYS H H 84 9.540 9.540 9.132 0.408 17577 3066 1 4 . 1 1 85 85 VAL N N 85 121.100 121.100 123.448 -2.348 17577 3067 1 4 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.368 -0.388 17577 3068 1 4 . 1 1 85 85 VAL C C 85 173.000 173.000 174.070 -1.070 17577 3069 1 4 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.420 1.980 17577 3070 1 4 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.847 1.853 17577 3071 1 4 . 1 1 85 85 VAL H H 85 9.510 9.510 8.688 0.822 17577 3072 1 4 . 1 1 86 86 GLU N N 86 123.700 123.700 126.268 -2.568 17577 3073 1 4 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.839 0.481 17577 3074 1 4 . 1 1 86 86 GLU C C 86 175.800 175.800 175.049 0.751 17577 3075 1 4 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.856 0.844 17577 3076 1 4 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.825 1.375 17577 3077 1 4 . 1 1 86 86 GLU H H 86 8.830 8.830 8.276 0.554 17577 3078 1 4 . 1 1 87 87 VAL N N 87 125.400 125.400 124.907 0.493 17577 3079 1 4 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.091 0.079 17577 3080 1 4 . 1 1 87 87 VAL C C 87 176.000 176.000 174.711 1.289 17577 3081 1 4 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.875 -0.375 17577 3082 1 4 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.306 0.694 17577 3083 1 4 . 1 1 87 87 VAL H H 87 8.760 8.760 9.128 -0.368 17577 3084 1 4 . 1 1 88 88 LEU N N 88 128.000 128.000 130.043 -2.043 17577 3085 1 4 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.542 -0.152 17577 3086 1 4 . 1 1 88 88 LEU C C 88 177.200 177.200 176.581 0.619 17577 3087 1 4 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.206 1.794 17577 3088 1 4 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.963 1.237 17577 3089 1 4 . 1 1 88 88 LEU H H 88 8.990 8.990 8.466 0.524 17577 3090 1 4 . 1 1 89 89 ASP N N 89 113.900 113.900 116.515 -2.615 17577 3091 1 4 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.754 0.026 17577 3092 1 4 . 1 1 89 89 ASP C C 89 173.900 173.900 173.918 -0.018 17577 3093 1 4 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.829 1.071 17577 3094 1 4 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.844 2.756 17577 3095 1 4 . 1 1 89 89 ASP H H 89 7.140 7.140 7.717 -0.577 17577 3096 1 4 . 1 1 90 90 THR N N 90 119.500 119.500 119.249 0.251 17577 3097 1 4 . 1 1 90 90 THR HA H 90 3.800 3.800 4.597 -0.797 17577 3098 1 4 . 1 1 90 90 THR C C 90 169.800 169.800 173.093 -3.293 17577 3099 1 4 . 1 1 90 90 THR CA C 90 61.500 61.500 61.738 -0.238 17577 3100 1 4 . 1 1 90 90 THR CB C 90 69.200 69.200 70.256 -1.056 17577 3101 1 4 . 1 1 90 90 THR H H 90 8.070 8.070 8.319 -0.249 17577 3102 1 4 . 1 1 91 91 ASP N N 91 122.400 122.400 128.146 -5.746 17577 3103 1 4 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.575 0.275 17577 3104 1 4 . 1 1 91 91 ASP C C 91 176.800 176.800 176.162 0.638 17577 3105 1 4 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.866 0.034 17577 3106 1 4 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.069 0.831 17577 3107 1 4 . 1 1 91 91 ASP H H 91 6.790 6.790 8.722 -1.932 17577 3108 1 4 . 1 1 92 92 TYR N N 92 115.100 115.100 115.181 -0.081 17577 3109 1 4 . 1 1 92 92 TYR HA H 92 3.510 3.510 4.020 -0.510 17577 3110 1 4 . 1 1 92 92 TYR C C 92 173.900 173.900 174.647 -0.747 17577 3111 1 4 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.417 2.882 17577 3112 1 4 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.465 0.135 17577 3113 1 4 . 1 1 92 92 TYR H H 92 9.420 9.420 8.430 0.990 17577 3114 1 4 . 1 1 93 93 LYS N N 93 112.300 112.300 115.802 -3.502 17577 3115 1 4 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.365 0.305 17577 3116 1 4 . 1 1 93 93 LYS C C 93 175.600 175.600 175.754 -0.154 17577 3117 1 4 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.713 2.787 17577 3118 1 4 . 1 1 93 93 LYS CB C 93 37.800 37.800 34.275 3.525 17577 3119 1 4 . 1 1 93 93 LYS H H 93 8.080 8.080 8.322 -0.242 17577 3120 1 4 . 1 1 94 94 SER N N 94 120.300 120.300 112.052 8.248 17577 3121 1 4 . 1 1 94 94 SER HA H 94 4.820 4.820 4.487 0.333 17577 3122 1 4 . 1 1 94 94 SER CA C 94 61.200 61.200 59.137 2.063 17577 3123 1 4 . 1 1 94 94 SER CB C 94 68.800 68.800 64.832 3.968 17577 3124 1 4 . 1 1 94 94 SER H H 94 11.420 11.420 7.692 3.728 17577 3125 1 4 . 1 1 95 95 TYR N N 95 122.700 122.700 115.239 7.461 17577 3126 1 4 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.300 0.850 17577 3127 1 4 . 1 1 95 95 TYR C C 95 173.500 173.500 173.561 -0.061 17577 3128 1 4 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.036 2.564 17577 3129 1 4 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.949 1.651 17577 3130 1 4 . 1 1 95 95 TYR H H 95 8.490 8.490 7.119 1.371 17577 3131 1 4 . 1 1 96 96 ALA N N 96 120.900 120.900 120.826 0.074 17577 3132 1 4 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.965 -0.415 17577 3133 1 4 . 1 1 96 96 ALA C C 96 174.700 174.700 175.000 -0.300 17577 3134 1 4 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.786 1.714 17577 3135 1 4 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.660 1.040 17577 3136 1 4 . 1 1 96 96 ALA H H 96 9.010 9.010 8.660 0.350 17577 3137 1 4 . 1 1 97 97 VAL N N 97 121.700 121.700 122.339 -0.639 17577 3138 1 4 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.236 -0.216 17577 3139 1 4 . 1 1 97 97 VAL C C 97 174.300 174.300 174.645 -0.345 17577 3140 1 4 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.784 2.416 17577 3141 1 4 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.343 0.257 17577 3142 1 4 . 1 1 97 97 VAL H H 97 9.310 9.310 8.876 0.434 17577 3143 1 4 . 1 1 98 98 ILE N N 98 129.600 129.600 123.813 5.787 17577 3144 1 4 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.642 0.408 17577 3145 1 4 . 1 1 98 98 ILE C C 98 174.000 174.000 174.292 -0.292 17577 3146 1 4 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.704 -0.504 17577 3147 1 4 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.420 0.280 17577 3148 1 4 . 1 1 98 98 ILE H H 98 9.550 9.550 8.202 1.348 17577 3149 1 4 . 1 1 99 99 TYR N N 99 128.100 128.100 126.536 1.564 17577 3150 1 4 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.780 0.480 17577 3151 1 4 . 1 1 99 99 TYR C C 99 173.700 173.700 174.121 -0.421 17577 3152 1 4 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.233 0.468 17577 3153 1 4 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.615 2.585 17577 3154 1 4 . 1 1 99 99 TYR H H 99 9.550 9.550 8.103 1.447 17577 3155 1 4 . 1 1 100 100 ALA N N 100 134.400 134.400 131.550 2.850 17577 3156 1 4 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.590 0.130 17577 3157 1 4 . 1 1 100 100 ALA C C 100 175.500 175.500 175.752 -0.252 17577 3158 1 4 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.914 1.486 17577 3159 1 4 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.618 3.282 17577 3160 1 4 . 1 1 100 100 ALA H H 100 9.610 9.610 8.407 1.203 17577 3161 1 4 . 1 1 101 101 THR N N 101 116.200 116.200 117.553 -1.353 17577 3162 1 4 . 1 1 101 101 THR HA H 101 5.450 5.450 4.911 0.539 17577 3163 1 4 . 1 1 101 101 THR C C 101 173.600 173.600 173.055 0.545 17577 3164 1 4 . 1 1 101 101 THR CA C 101 62.000 62.000 61.330 0.670 17577 3165 1 4 . 1 1 101 101 THR CB C 101 73.100 73.100 71.235 1.865 17577 3166 1 4 . 1 1 101 101 THR H H 101 9.430 9.430 8.830 0.600 17577 3167 1 4 . 1 1 102 102 ARG N N 102 125.700 125.700 129.743 -4.043 17577 3168 1 4 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.421 -0.211 17577 3169 1 4 . 1 1 102 102 ARG C C 102 173.900 173.900 173.633 0.267 17577 3170 1 4 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.573 0.927 17577 3171 1 4 . 1 1 102 102 ARG CB C 102 36.100 36.100 34.152 1.948 17577 3172 1 4 . 1 1 102 102 ARG H H 102 8.970 8.970 8.277 0.693 17577 3173 1 4 . 1 1 103 103 VAL N N 103 122.100 122.100 126.054 -3.954 17577 3174 1 4 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.557 0.213 17577 3175 1 4 . 1 1 103 103 VAL C C 103 175.700 175.700 174.434 1.266 17577 3176 1 4 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.105 1.295 17577 3177 1 4 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.620 -0.220 17577 3178 1 4 . 1 1 103 103 VAL H H 103 7.870 7.870 8.110 -0.240 17577 3179 1 4 . 1 1 104 104 LYS N N 104 130.100 130.100 127.624 2.476 17577 3180 1 4 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.529 -0.069 17577 3181 1 4 . 1 1 104 104 LYS C C 104 175.400 175.400 176.113 -0.713 17577 3182 1 4 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.607 1.393 17577 3183 1 4 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.936 1.464 17577 3184 1 4 . 1 1 104 104 LYS H H 104 8.980 8.980 8.691 0.289 17577 3185 1 4 . 1 1 106 106 GLY N N 106 136.200 136.200 113.104 23.096 17577 3186 1 4 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.959 1.441 17577 3187 1 4 . 1 1 106 106 GLY H H 106 8.330 8.330 8.609 -0.279 17577 3188 1 4 . 1 1 107 107 ARG N N 107 121.300 121.300 121.825 -0.525 17577 3189 1 4 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.695 -0.025 17577 3190 1 4 . 1 1 107 107 ARG C C 107 174.500 174.500 174.463 0.037 17577 3191 1 4 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.899 0.501 17577 3192 1 4 . 1 1 107 107 ARG CB C 107 33.200 33.200 32.904 0.296 17577 3193 1 4 . 1 1 107 107 ARG H H 107 7.880 7.880 7.913 -0.033 17577 3194 1 4 . 1 1 108 108 THR N N 108 118.800 118.800 117.901 0.899 17577 3195 1 4 . 1 1 108 108 THR HA H 108 4.490 4.490 4.739 -0.249 17577 3196 1 4 . 1 1 108 108 THR C C 108 173.400 173.400 173.734 -0.334 17577 3197 1 4 . 1 1 108 108 THR CA C 108 64.100 64.100 61.802 2.298 17577 3198 1 4 . 1 1 108 108 THR CB C 108 69.800 69.800 70.684 -0.884 17577 3199 1 4 . 1 1 108 108 THR H H 108 8.650 8.650 8.339 0.311 17577 3200 1 4 . 1 1 109 109 LEU N N 109 128.900 128.900 122.593 6.307 17577 3201 1 4 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.843 -0.113 17577 3202 1 4 . 1 1 109 109 LEU C C 109 175.700 175.700 174.248 1.452 17577 3203 1 4 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.991 0.309 17577 3204 1 4 . 1 1 109 109 LEU CB C 109 46.500 46.500 45.459 1.041 17577 3205 1 4 . 1 1 109 109 LEU H H 109 9.220 9.220 8.274 0.946 17577 3206 1 4 . 1 1 110 110 HIS N N 110 116.200 116.200 115.606 0.594 17577 3207 1 4 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.274 0.766 17577 3208 1 4 . 1 1 110 110 HIS C C 110 175.300 175.300 173.730 1.570 17577 3209 1 4 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.073 1.227 17577 3210 1 4 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.878 1.622 17577 3211 1 4 . 1 1 110 110 HIS H H 110 8.490 8.490 7.668 0.822 17577 3212 1 4 . 1 1 111 111 MET N N 111 123.400 123.400 115.064 8.336 17577 3213 1 4 . 1 1 111 111 MET HA H 111 4.550 4.550 4.709 -0.159 17577 3214 1 4 . 1 1 111 111 MET C C 111 174.000 174.000 173.543 0.457 17577 3215 1 4 . 1 1 111 111 MET CA C 111 56.600 56.600 54.922 1.678 17577 3216 1 4 . 1 1 111 111 MET CB C 111 37.800 37.800 36.928 0.872 17577 3217 1 4 . 1 1 111 111 MET H H 111 9.090 9.090 8.676 0.414 17577 3218 1 4 . 1 1 112 112 MET N N 112 122.900 122.900 118.684 4.216 17577 3219 1 4 . 1 1 112 112 MET HA H 112 5.670 5.670 5.178 0.492 17577 3220 1 4 . 1 1 112 112 MET C C 112 175.400 175.400 175.776 -0.376 17577 3221 1 4 . 1 1 112 112 MET CA C 112 55.100 55.100 53.665 1.435 17577 3222 1 4 . 1 1 112 112 MET CB C 112 37.200 37.200 34.143 3.057 17577 3223 1 4 . 1 1 112 112 MET H H 112 9.120 9.120 8.676 0.444 17577 3224 1 4 . 1 1 113 113 ARG N N 113 119.500 119.500 124.007 -4.507 17577 3225 1 4 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.804 0.246 17577 3226 1 4 . 1 1 113 113 ARG C C 113 173.800 173.800 173.467 0.333 17577 3227 1 4 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.864 1.137 17577 3228 1 4 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.150 4.450 17577 3229 1 4 . 1 1 113 113 ARG H H 113 9.390 9.390 8.475 0.915 17577 3230 1 4 . 1 1 114 114 LEU N N 114 124.400 124.400 128.933 -4.533 17577 3231 1 4 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.572 -0.542 17577 3232 1 4 . 1 1 114 114 LEU C C 114 174.200 174.200 174.471 -0.271 17577 3233 1 4 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.242 0.858 17577 3234 1 4 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.478 -1.578 17577 3235 1 4 . 1 1 114 114 LEU H H 114 8.020 8.020 9.217 -1.197 17577 3236 1 4 . 1 1 115 115 TYR N N 115 126.000 126.000 127.848 -1.848 17577 3237 1 4 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.762 0.038 17577 3238 1 4 . 1 1 115 115 TYR C C 115 176.500 176.500 173.406 3.094 17577 3239 1 4 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.760 3.240 17577 3240 1 4 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.494 0.406 17577 3241 1 4 . 1 1 115 115 TYR H H 115 9.540 9.540 8.853 0.687 17577 3242 1 4 . 1 1 116 116 SER N N 116 113.200 113.200 114.844 -1.644 17577 3243 1 4 . 1 1 116 116 SER HA H 116 5.840 5.840 4.746 1.094 17577 3244 1 4 . 1 1 116 116 SER C C 116 175.400 175.400 174.153 1.247 17577 3245 1 4 . 1 1 116 116 SER CA C 116 56.600 56.600 55.118 1.482 17577 3246 1 4 . 1 1 116 116 SER CB C 116 67.700 67.700 65.884 1.816 17577 3247 1 4 . 1 1 116 116 SER H H 116 9.930 9.930 8.918 1.012 17577 3248 1 4 . 1 1 117 117 ARG N N 117 130.500 130.500 125.790 4.710 17577 3249 1 4 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.115 -0.435 17577 3250 1 4 . 1 1 117 117 ARG C C 117 175.400 175.400 176.272 -0.872 17577 3251 1 4 . 1 1 117 117 ARG CA C 117 58.300 58.300 55.773 2.527 17577 3252 1 4 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.668 1.832 17577 3253 1 4 . 1 1 117 117 ARG H H 117 8.350 8.350 8.192 0.158 17577 3254 1 4 . 1 1 118 118 SER N N 118 111.300 111.300 113.052 -1.752 17577 3255 1 4 . 1 1 118 118 SER HA H 118 4.990 4.990 4.742 0.248 17577 3256 1 4 . 1 1 118 118 SER C C 118 173.400 173.400 172.438 0.962 17577 3257 1 4 . 1 1 118 118 SER CA C 118 54.800 54.800 54.956 -0.156 17577 3258 1 4 . 1 1 118 118 SER CB C 118 65.800 65.800 64.491 1.309 17577 3259 1 4 . 1 1 118 118 SER H H 118 7.980 7.980 7.436 0.544 17577 3260 1 4 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.061 -0.091 17577 3261 1 4 . 1 1 119 119 PRO C C 119 175.500 175.500 176.061 -0.561 17577 3262 1 4 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.482 0.618 17577 3263 1 4 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.951 0.249 17577 3264 1 4 . 1 1 120 120 GLU N N 120 117.500 117.500 116.748 0.752 17577 3265 1 4 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.348 -0.088 17577 3266 1 4 . 1 1 120 120 GLU C C 120 174.500 174.500 175.014 -0.514 17577 3267 1 4 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.640 0.160 17577 3268 1 4 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.256 -1.556 17577 3269 1 4 . 1 1 120 120 GLU H H 120 7.410 7.410 7.377 0.033 17577 3270 1 4 . 1 1 121 121 VAL N N 121 124.900 124.900 118.540 6.360 17577 3271 1 4 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.235 -0.095 17577 3272 1 4 . 1 1 121 121 VAL C C 121 174.400 174.400 176.083 -1.683 17577 3273 1 4 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.284 0.416 17577 3274 1 4 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.139 0.961 17577 3275 1 4 . 1 1 121 121 VAL H H 121 7.900 7.900 8.184 -0.284 17577 3276 1 4 . 1 1 122 122 SER N N 122 124.500 124.500 123.087 1.413 17577 3277 1 4 . 1 1 122 122 SER HA H 122 4.750 4.750 4.814 -0.064 17577 3278 1 4 . 1 1 122 122 SER CA C 122 57.300 57.300 55.923 1.377 17577 3279 1 4 . 1 1 122 122 SER CB C 122 64.500 64.500 63.887 0.613 17577 3280 1 4 . 1 1 122 122 SER H H 122 8.680 8.680 8.248 0.432 17577 3281 1 4 . 1 1 123 123 PRO C C 123 175.600 175.600 177.734 -2.134 17577 3282 1 4 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.463 0.437 17577 3283 1 4 . 1 1 124 124 ALA N N 124 120.100 120.100 119.085 1.015 17577 3284 1 4 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.160 -0.090 17577 3285 1 4 . 1 1 124 124 ALA C C 124 179.900 179.900 179.188 0.712 17577 3286 1 4 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.302 1.498 17577 3287 1 4 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.024 1.076 17577 3288 1 4 . 1 1 124 124 ALA H H 124 8.030 8.030 8.250 -0.220 17577 3289 1 4 . 1 1 125 125 ALA N N 125 121.100 121.100 121.476 -0.376 17577 3290 1 4 . 1 1 125 125 ALA HA H 125 3.430 3.430 2.954 0.476 17577 3291 1 4 . 1 1 125 125 ALA C C 125 179.200 179.200 179.346 -0.146 17577 3292 1 4 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.616 0.984 17577 3293 1 4 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.102 1.097 17577 3294 1 4 . 1 1 125 125 ALA H H 125 7.510 7.510 8.300 -0.790 17577 3295 1 4 . 1 1 126 126 THR N N 126 113.200 113.200 113.769 -0.569 17577 3296 1 4 . 1 1 126 126 THR HA H 126 4.150 4.150 3.997 0.153 17577 3297 1 4 . 1 1 126 126 THR C C 126 176.100 176.100 176.358 -0.258 17577 3298 1 4 . 1 1 126 126 THR CA C 126 68.900 68.900 66.107 2.793 17577 3299 1 4 . 1 1 126 126 THR CB C 126 67.700 67.700 68.620 -0.920 17577 3300 1 4 . 1 1 126 126 THR H H 126 7.820 7.820 7.477 0.343 17577 3301 1 4 . 1 1 127 127 ALA N N 127 123.100 123.100 124.878 -1.778 17577 3302 1 4 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.109 -0.029 17577 3303 1 4 . 1 1 127 127 ALA C C 127 181.100 181.100 179.015 2.085 17577 3304 1 4 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.043 1.157 17577 3305 1 4 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.378 0.322 17577 3306 1 4 . 1 1 127 127 ALA H H 127 7.900 7.900 7.581 0.319 17577 3307 1 4 . 1 1 128 128 ILE N N 128 120.900 120.900 119.904 0.996 17577 3308 1 4 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.776 -0.036 17577 3309 1 4 . 1 1 128 128 ILE C C 128 177.300 177.300 176.937 0.363 17577 3310 1 4 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.301 2.299 17577 3311 1 4 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.908 2.492 17577 3312 1 4 . 1 1 128 128 ILE H H 128 7.640 7.640 8.199 -0.559 17577 3313 1 4 . 1 1 129 129 PHE N N 129 120.300 120.300 119.452 0.848 17577 3314 1 4 . 1 1 129 129 PHE HA H 129 4.010 4.010 3.993 0.017 17577 3315 1 4 . 1 1 129 129 PHE C C 129 176.100 176.100 177.070 -0.970 17577 3316 1 4 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.128 1.172 17577 3317 1 4 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.017 1.883 17577 3318 1 4 . 1 1 129 129 PHE H H 129 8.250 8.250 7.748 0.502 17577 3319 1 4 . 1 1 130 130 ARG N N 130 116.300 116.300 119.444 -3.144 17577 3320 1 4 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.931 -0.371 17577 3321 1 4 . 1 1 130 130 ARG C C 130 179.400 179.400 178.085 1.315 17577 3322 1 4 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.110 1.990 17577 3323 1 4 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.182 0.418 17577 3324 1 4 . 1 1 130 130 ARG H H 130 8.650 8.650 7.785 0.865 17577 3325 1 4 . 1 1 131 131 LYS N N 131 122.200 122.200 120.267 1.933 17577 3326 1 4 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.960 0.070 17577 3327 1 4 . 1 1 131 131 LYS C C 131 179.300 179.300 179.079 0.221 17577 3328 1 4 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.840 0.659 17577 3329 1 4 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.304 0.895 17577 3330 1 4 . 1 1 131 131 LYS H H 131 8.020 8.020 7.655 0.365 17577 3331 1 4 . 1 1 132 132 LEU N N 132 120.300 120.300 116.219 4.081 17577 3332 1 4 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.008 -0.078 17577 3333 1 4 . 1 1 132 132 LEU C C 132 179.600 179.600 178.737 0.863 17577 3334 1 4 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.848 0.752 17577 3335 1 4 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.102 1.399 17577 3336 1 4 . 1 1 132 132 LEU H H 132 8.450 8.450 7.430 1.020 17577 3337 1 4 . 1 1 133 133 ALA N N 133 122.400 122.400 121.317 1.083 17577 3338 1 4 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.543 0.427 17577 3339 1 4 . 1 1 133 133 ALA C C 133 180.400 180.400 179.296 1.104 17577 3340 1 4 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.307 1.692 17577 3341 1 4 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.904 -0.004 17577 3342 1 4 . 1 1 133 133 ALA H H 133 8.750 8.750 7.254 1.496 17577 3343 1 4 . 1 1 134 134 GLY N N 134 107.400 107.400 106.627 0.773 17577 3344 1 4 . 1 1 134 134 GLY C C 134 178.200 178.200 176.622 1.578 17577 3345 1 4 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.926 1.174 17577 3346 1 4 . 1 1 134 134 GLY H H 134 8.130 8.130 8.564 -0.434 17577 3347 1 4 . 1 1 135 135 GLU N N 135 121.900 121.900 120.950 0.950 17577 3348 1 4 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.156 -0.106 17577 3349 1 4 . 1 1 135 135 GLU C C 135 177.400 177.400 177.055 0.345 17577 3350 1 4 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.150 1.150 17577 3351 1 4 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.391 1.009 17577 3352 1 4 . 1 1 135 135 GLU H H 135 7.730 7.730 7.637 0.093 17577 3353 1 4 . 1 1 136 136 ARG N N 136 118.000 118.000 117.467 0.533 17577 3354 1 4 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.373 -0.223 17577 3355 1 4 . 1 1 136 136 ARG C C 136 173.500 173.500 175.452 -1.952 17577 3356 1 4 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.622 0.178 17577 3357 1 4 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.769 -1.869 17577 3358 1 4 . 1 1 136 136 ARG H H 136 7.130 7.130 7.361 -0.231 17577 3359 1 4 . 1 1 137 137 ASN N N 137 109.600 109.600 116.218 -6.618 17577 3360 1 4 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.476 -0.326 17577 3361 1 4 . 1 1 137 137 ASN C C 137 174.200 174.200 174.857 -0.657 17577 3362 1 4 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.660 1.339 17577 3363 1 4 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.313 0.887 17577 3364 1 4 . 1 1 137 137 ASN H H 137 7.560 7.560 8.316 -0.756 17577 3365 1 4 . 1 1 138 138 TYR N N 138 118.600 118.600 117.046 1.554 17577 3366 1 4 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.786 0.504 17577 3367 1 4 . 1 1 138 138 TYR C C 138 175.900 175.900 174.840 1.060 17577 3368 1 4 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.495 1.205 17577 3369 1 4 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.758 -2.158 17577 3370 1 4 . 1 1 138 138 TYR H H 138 8.020 8.020 8.007 0.013 17577 3371 1 4 . 1 1 139 139 THR N N 139 115.000 115.000 110.222 4.778 17577 3372 1 4 . 1 1 139 139 THR HA H 139 4.420 4.420 4.035 0.385 17577 3373 1 4 . 1 1 139 139 THR C C 139 175.500 175.500 174.984 0.516 17577 3374 1 4 . 1 1 139 139 THR CA C 139 61.400 61.400 59.337 2.063 17577 3375 1 4 . 1 1 139 139 THR CB C 139 71.400 71.400 71.994 -0.594 17577 3376 1 4 . 1 1 139 139 THR H H 139 7.740 7.740 7.901 -0.161 17577 3377 1 4 . 1 1 140 140 ASP N N 140 117.900 117.900 124.332 -6.432 17577 3378 1 4 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.132 0.128 17577 3379 1 4 . 1 1 140 140 ASP C C 140 178.400 178.400 177.498 0.902 17577 3380 1 4 . 1 1 140 140 ASP CA C 140 59.000 59.000 58.288 0.712 17577 3381 1 4 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.741 1.059 17577 3382 1 4 . 1 1 140 140 ASP H H 140 8.630 8.630 8.671 -0.041 17577 3383 1 4 . 1 1 141 141 GLU N N 141 116.800 116.800 118.417 -1.617 17577 3384 1 4 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.075 0.195 17577 3385 1 4 . 1 1 141 141 GLU C C 141 176.200 176.200 177.676 -1.476 17577 3386 1 4 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.269 0.831 17577 3387 1 4 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.422 0.678 17577 3388 1 4 . 1 1 141 141 GLU H H 141 8.500 8.500 8.180 0.320 17577 3389 1 4 . 1 1 142 142 MET N N 142 117.400 117.400 115.462 1.938 17577 3390 1 4 . 1 1 142 142 MET HA H 142 4.490 4.490 4.375 0.115 17577 3391 1 4 . 1 1 142 142 MET C C 142 172.900 172.900 176.043 -3.143 17577 3392 1 4 . 1 1 142 142 MET CA C 142 57.100 57.100 57.317 -0.217 17577 3393 1 4 . 1 1 142 142 MET CB C 142 33.400 33.400 33.765 -0.365 17577 3394 1 4 . 1 1 142 142 MET H H 142 7.960 7.960 7.787 0.173 17577 3395 1 4 . 1 1 143 143 VAL N N 143 116.800 116.800 117.742 -0.942 17577 3396 1 4 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.582 0.208 17577 3397 1 4 . 1 1 143 143 VAL C C 143 175.600 175.600 173.872 1.728 17577 3398 1 4 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.702 2.498 17577 3399 1 4 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.444 0.056 17577 3400 1 4 . 1 1 143 143 VAL H H 143 7.120 7.120 7.988 -0.868 17577 3401 1 4 . 1 1 144 144 ALA N N 144 131.000 131.000 131.996 -0.996 17577 3402 1 4 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.809 0.001 17577 3403 1 4 . 1 1 144 144 ALA C C 144 175.800 175.800 175.724 0.076 17577 3404 1 4 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.625 0.875 17577 3405 1 4 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.380 1.220 17577 3406 1 4 . 1 1 144 144 ALA H H 144 9.600 9.600 8.292 1.308 17577 3407 1 4 . 1 1 145 145 MET N N 145 122.400 122.400 124.913 -2.513 17577 3408 1 4 . 1 1 145 145 MET HA H 145 4.890 4.890 4.493 0.397 17577 3409 1 4 . 1 1 145 145 MET C C 145 176.900 176.900 174.804 2.096 17577 3410 1 4 . 1 1 145 145 MET CA C 145 54.000 54.000 55.930 -1.930 17577 3411 1 4 . 1 1 145 145 MET CB C 145 30.100 30.100 33.954 -3.854 17577 3412 1 4 . 1 1 145 145 MET H H 145 8.630 8.630 8.565 0.065 17577 3413 1 4 . 1 1 146 146 LEU N N 146 125.400 125.400 126.746 -1.346 17577 3414 1 4 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.903 -0.363 17577 3415 1 4 . 1 1 146 146 LEU C C 146 174.500 174.500 174.542 -0.042 17577 3416 1 4 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.208 2.692 17577 3417 1 4 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.888 -2.088 17577 3418 1 4 . 1 1 146 146 LEU H H 146 7.880 7.880 8.402 -0.522 17577 3419 1 4 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.697 -0.117 17577 3420 1 4 . 1 1 147 147 PRO C C 147 176.200 176.200 177.027 -0.827 17577 3421 1 4 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.440 0.860 17577 3422 1 4 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.096 0.504 17577 3423 1 4 . 1 1 148 148 ARG N N 148 120.700 120.700 118.839 1.861 17577 3424 1 4 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.116 0.154 17577 3425 1 4 . 1 1 148 148 ARG C C 148 175.500 175.500 176.292 -0.792 17577 3426 1 4 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.761 0.539 17577 3427 1 4 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.118 2.282 17577 3428 1 4 . 1 1 148 148 ARG H H 148 8.540 8.540 8.598 -0.058 17577 3429 1 4 . 1 1 149 149 GLN N N 149 115.000 115.000 120.088 -5.088 17577 3430 1 4 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.160 0.560 17577 3431 1 4 . 1 1 149 149 GLN C C 149 174.300 174.300 175.015 -0.715 17577 3432 1 4 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.367 -1.467 17577 3433 1 4 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.669 1.031 17577 3434 1 4 . 1 1 149 149 GLN H H 149 7.770 7.770 8.231 -0.461 17577 3435 1 4 . 1 1 150 150 GLU N N 150 117.800 117.800 121.103 -3.303 17577 3436 1 4 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.620 -0.150 17577 3437 1 4 . 1 1 150 150 GLU C C 150 175.800 175.800 175.813 -0.013 17577 3438 1 4 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.207 1.093 17577 3439 1 4 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.209 0.191 17577 3440 1 4 . 1 1 150 150 GLU H H 150 8.570 8.570 8.463 0.107 17577 3441 1 4 . 1 1 151 151 GLU N N 151 119.200 119.200 121.024 -1.824 17577 3442 1 4 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.639 -0.379 17577 3443 1 4 . 1 1 151 151 GLU C C 151 176.000 176.000 175.984 0.016 17577 3444 1 4 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.020 2.480 17577 3445 1 4 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.015 1.185 17577 3446 1 4 . 1 1 151 151 GLU H H 151 8.000 8.000 8.737 -0.737 17577 3447 1 4 . 1 1 152 152 CYS N N 152 122.100 122.100 118.243 3.857 17577 3448 1 4 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.813 0.327 17577 3449 1 4 . 1 1 152 152 CYS C C 152 172.800 172.800 173.755 -0.955 17577 3450 1 4 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.373 -4.373 17577 3451 1 4 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.495 5.405 17577 3452 1 4 . 1 1 152 152 CYS H H 152 9.620 9.620 8.299 1.321 17577 3453 1 4 . 1 1 153 153 THR N N 153 118.000 118.000 114.304 3.696 17577 3454 1 4 . 1 1 153 153 THR HA H 153 4.860 4.860 4.672 0.188 17577 3455 1 4 . 1 1 153 153 THR C C 153 173.000 173.000 173.896 -0.896 17577 3456 1 4 . 1 1 153 153 THR CA C 153 59.800 59.800 60.705 -0.905 17577 3457 1 4 . 1 1 153 153 THR CB C 153 72.500 72.500 70.581 1.919 17577 3458 1 4 . 1 1 153 153 THR H H 153 8.490 8.490 8.009 0.481 17577 3459 1 4 . 1 1 154 154 VAL N N 154 114.900 114.900 119.378 -4.478 17577 3460 1 4 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.306 -0.186 17577 3461 1 4 . 1 1 154 154 VAL C C 154 175.500 175.500 175.267 0.233 17577 3462 1 4 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.796 0.204 17577 3463 1 4 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.809 0.291 17577 3464 1 4 . 1 1 154 154 VAL H H 154 6.920 6.920 8.090 -1.170 17577 3465 1 4 . 1 1 155 155 ASP N N 155 124.100 124.100 121.168 2.932 17577 3466 1 4 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.592 -0.102 17577 3467 1 4 . 1 1 155 155 ASP C C 155 175.800 175.800 176.849 -1.049 17577 3468 1 4 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.962 1.738 17577 3469 1 4 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.439 -0.139 17577 3470 1 4 . 1 1 155 155 ASP H H 155 8.390 8.390 8.279 0.111 17577 3471 1 4 . 1 1 156 156 GLU N N 156 121.000 121.000 121.509 -0.509 17577 3472 1 4 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.119 0.051 17577 3473 1 4 . 1 1 156 156 GLU C C 156 175.400 175.400 177.787 -2.387 17577 3474 1 4 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.388 0.112 17577 3475 1 4 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.235 2.165 17577 3476 1 4 . 1 1 156 156 GLU H H 156 8.450 8.450 8.519 -0.069 17577 3477 1 5 . 1 1 4 4 PRO C C 4 175.800 175.800 176.067 -0.267 17577 3478 1 5 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.370 1.930 17577 3479 1 5 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.491 0.509 17577 3480 1 5 . 1 1 5 5 ASP N N 5 119.400 119.400 122.250 -2.850 17577 3481 1 5 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.657 -0.147 17577 3482 1 5 . 1 1 5 5 ASP C C 5 177.100 177.100 177.640 -0.540 17577 3483 1 5 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.142 0.658 17577 3484 1 5 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.820 0.580 17577 3485 1 5 . 1 1 5 5 ASP H H 5 8.090 8.090 8.564 -0.474 17577 3486 1 5 . 1 1 6 6 ARG N N 6 124.800 124.800 124.425 0.375 17577 3487 1 5 . 1 1 6 6 ARG C C 6 177.300 177.300 177.275 0.025 17577 3488 1 5 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.701 0.299 17577 3489 1 5 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.896 0.604 17577 3490 1 5 . 1 1 6 6 ARG H H 6 8.590 8.590 8.671 -0.081 17577 3491 1 5 . 1 1 7 7 SER N N 7 113.800 113.800 115.689 -1.889 17577 3492 1 5 . 1 1 7 7 SER CA C 7 62.400 62.400 61.551 0.849 17577 3493 1 5 . 1 1 7 7 SER CB C 7 63.800 63.800 62.744 1.056 17577 3494 1 5 . 1 1 7 7 SER H H 7 8.240 8.240 8.479 -0.239 17577 3495 1 5 . 1 1 8 8 GLU N N 8 120.200 120.200 120.247 -0.047 17577 3496 1 5 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.087 0.243 17577 3497 1 5 . 1 1 8 8 GLU C C 8 177.100 177.100 179.158 -2.058 17577 3498 1 5 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.818 -0.118 17577 3499 1 5 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.593 1.307 17577 3500 1 5 . 1 1 8 8 GLU H H 8 8.030 8.030 8.067 -0.037 17577 3501 1 5 . 1 1 9 9 ILE N N 9 112.800 112.800 117.661 -4.861 17577 3502 1 5 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.851 0.499 17577 3503 1 5 . 1 1 9 9 ILE C C 9 175.000 175.000 175.250 -0.250 17577 3504 1 5 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.928 1.472 17577 3505 1 5 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.814 2.186 17577 3506 1 5 . 1 1 9 9 ILE H H 9 7.530 7.530 7.221 0.309 17577 3507 1 5 . 1 1 10 10 ALA N N 10 120.400 120.400 122.033 -1.633 17577 3508 1 5 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.521 -0.451 17577 3509 1 5 . 1 1 10 10 ALA C C 10 177.500 177.500 177.308 0.192 17577 3510 1 5 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.669 0.331 17577 3511 1 5 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.194 1.206 17577 3512 1 5 . 1 1 10 10 ALA H H 10 7.410 7.410 8.096 -0.686 17577 3513 1 5 . 1 1 11 11 GLY N N 11 108.300 108.300 110.828 -2.528 17577 3514 1 5 . 1 1 11 11 GLY C C 11 173.700 173.700 173.630 0.070 17577 3515 1 5 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.959 0.341 17577 3516 1 5 . 1 1 11 11 GLY H H 11 8.780 8.780 8.336 0.444 17577 3517 1 5 . 1 1 12 12 LYS N N 12 122.300 122.300 121.449 0.851 17577 3518 1 5 . 1 1 12 12 LYS HA H 12 4.830 4.830 5.056 -0.226 17577 3519 1 5 . 1 1 12 12 LYS C C 12 175.900 175.900 174.998 0.902 17577 3520 1 5 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.397 1.903 17577 3521 1 5 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.898 0.102 17577 3522 1 5 . 1 1 12 12 LYS H H 12 8.740 8.740 7.658 1.082 17577 3523 1 5 . 1 1 13 13 TRP N N 13 126.000 126.000 126.897 -0.897 17577 3524 1 5 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.162 -0.532 17577 3525 1 5 . 1 1 13 13 TRP C C 13 173.300 173.300 174.927 -1.627 17577 3526 1 5 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.937 1.764 17577 3527 1 5 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.103 4.297 17577 3528 1 5 . 1 1 13 13 TRP H H 13 9.440 9.440 9.772 -0.332 17577 3529 1 5 . 1 1 14 14 TYR N N 14 118.300 118.300 123.342 -5.042 17577 3530 1 5 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.956 0.094 17577 3531 1 5 . 1 1 14 14 TYR C C 14 175.400 175.400 175.253 0.147 17577 3532 1 5 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.204 1.596 17577 3533 1 5 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.004 1.496 17577 3534 1 5 . 1 1 14 14 TYR H H 14 9.370 9.370 8.935 0.435 17577 3535 1 5 . 1 1 15 15 VAL N N 15 124.200 124.200 125.602 -1.402 17577 3536 1 5 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.230 -0.190 17577 3537 1 5 . 1 1 15 15 VAL C C 15 175.500 175.500 175.845 -0.345 17577 3538 1 5 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.896 -0.196 17577 3539 1 5 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.164 0.236 17577 3540 1 5 . 1 1 15 15 VAL H H 15 9.000 9.000 8.572 0.428 17577 3541 1 5 . 1 1 16 16 VAL N N 16 114.600 114.600 119.079 -4.479 17577 3542 1 5 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.543 0.107 17577 3543 1 5 . 1 1 16 16 VAL C C 16 175.900 175.900 173.658 2.242 17577 3544 1 5 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.092 1.108 17577 3545 1 5 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.478 0.122 17577 3546 1 5 . 1 1 16 16 VAL H H 16 8.420 8.420 8.971 -0.551 17577 3547 1 5 . 1 1 17 17 ALA N N 17 122.900 122.900 121.011 1.889 17577 3548 1 5 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.090 0.180 17577 3549 1 5 . 1 1 17 17 ALA C C 17 174.200 174.200 174.218 -0.018 17577 3550 1 5 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.379 0.721 17577 3551 1 5 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.333 2.767 17577 3552 1 5 . 1 1 17 17 ALA H H 17 7.590 7.590 7.496 0.094 17577 3553 1 5 . 1 1 18 18 LEU N N 18 118.000 118.000 122.281 -4.281 17577 3554 1 5 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.186 0.254 17577 3555 1 5 . 1 1 18 18 LEU C C 18 176.100 176.100 173.873 2.227 17577 3556 1 5 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.866 0.134 17577 3557 1 5 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.320 3.480 17577 3558 1 5 . 1 1 18 18 LEU H H 18 8.570 8.570 8.016 0.554 17577 3559 1 5 . 1 1 19 19 ALA N N 19 120.300 120.300 124.200 -3.900 17577 3560 1 5 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.679 -0.249 17577 3561 1 5 . 1 1 19 19 ALA C C 19 174.400 174.400 176.121 -1.721 17577 3562 1 5 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.105 2.595 17577 3563 1 5 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.726 0.374 17577 3564 1 5 . 1 1 19 19 ALA H H 19 8.360 8.360 9.104 -0.744 17577 3565 1 5 . 1 1 20 20 SER N N 20 114.200 114.200 113.704 0.496 17577 3566 1 5 . 1 1 20 20 SER HA H 20 3.890 3.890 4.636 -0.746 17577 3567 1 5 . 1 1 20 20 SER C C 20 170.700 170.700 172.889 -2.189 17577 3568 1 5 . 1 1 20 20 SER CA C 20 57.200 57.200 57.458 -0.258 17577 3569 1 5 . 1 1 20 20 SER CB C 20 64.200 64.200 64.951 -0.751 17577 3570 1 5 . 1 1 20 20 SER H H 20 7.450 7.450 8.374 -0.924 17577 3571 1 5 . 1 1 21 21 ASN N N 21 117.500 117.500 116.944 0.556 17577 3572 1 5 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.947 0.273 17577 3573 1 5 . 1 1 21 21 ASN C C 21 176.500 176.500 175.016 1.484 17577 3574 1 5 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.376 -0.876 17577 3575 1 5 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.000 0.300 17577 3576 1 5 . 1 1 21 21 ASN H H 21 7.980 7.980 8.521 -0.541 17577 3577 1 5 . 1 1 22 22 THR N N 22 112.100 112.100 116.773 -4.673 17577 3578 1 5 . 1 1 22 22 THR HA H 22 4.420 4.420 4.065 0.355 17577 3579 1 5 . 1 1 22 22 THR C C 22 174.800 174.800 174.716 0.084 17577 3580 1 5 . 1 1 22 22 THR CA C 22 63.200 63.200 60.982 2.218 17577 3581 1 5 . 1 1 22 22 THR CB C 22 71.800 71.800 69.135 2.665 17577 3582 1 5 . 1 1 22 22 THR H H 22 8.140 8.140 7.624 0.516 17577 3583 1 5 . 1 1 23 23 GLU N N 23 122.700 122.700 129.840 -7.140 17577 3584 1 5 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.812 0.938 17577 3585 1 5 . 1 1 23 23 GLU C C 23 178.800 178.800 177.595 1.205 17577 3586 1 5 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.221 2.079 17577 3587 1 5 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.423 0.877 17577 3588 1 5 . 1 1 23 23 GLU H H 23 8.980 8.980 8.480 0.500 17577 3589 1 5 . 1 1 24 24 PHE N N 24 118.200 118.200 117.620 0.580 17577 3590 1 5 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.174 -0.194 17577 3591 1 5 . 1 1 24 24 PHE C C 24 175.900 175.900 177.925 -2.025 17577 3592 1 5 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.936 2.964 17577 3593 1 5 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.639 3.061 17577 3594 1 5 . 1 1 24 24 PHE H H 24 8.610 8.610 6.543 2.067 17577 3595 1 5 . 1 1 25 25 PHE N N 25 119.000 119.000 119.683 -0.683 17577 3596 1 5 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.247 -0.407 17577 3597 1 5 . 1 1 25 25 PHE C C 25 176.500 176.500 177.344 -0.844 17577 3598 1 5 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.572 2.228 17577 3599 1 5 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.020 1.380 17577 3600 1 5 . 1 1 25 25 PHE H H 25 7.730 7.730 8.083 -0.353 17577 3601 1 5 . 1 1 26 26 LEU N N 26 115.900 115.900 118.360 -2.460 17577 3602 1 5 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.135 -0.405 17577 3603 1 5 . 1 1 26 26 LEU C C 26 179.200 179.200 178.750 0.450 17577 3604 1 5 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.428 0.272 17577 3605 1 5 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.152 0.848 17577 3606 1 5 . 1 1 26 26 LEU H H 26 8.380 8.380 7.659 0.721 17577 3607 1 5 . 1 1 27 27 ARG N N 27 116.900 116.900 119.524 -2.624 17577 3608 1 5 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.946 0.164 17577 3609 1 5 . 1 1 27 27 ARG C C 27 178.400 178.400 178.161 0.239 17577 3610 1 5 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.547 -0.347 17577 3611 1 5 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.195 1.905 17577 3612 1 5 . 1 1 27 27 ARG H H 27 7.720 7.720 8.246 -0.526 17577 3613 1 5 . 1 1 28 28 GLU N N 28 116.000 116.000 117.508 -1.508 17577 3614 1 5 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.252 0.108 17577 3615 1 5 . 1 1 28 28 GLU C C 28 178.200 178.200 178.712 -0.512 17577 3616 1 5 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.594 -1.894 17577 3617 1 5 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.932 0.968 17577 3618 1 5 . 1 1 28 28 GLU H H 28 7.660 7.660 7.857 -0.197 17577 3619 1 5 . 1 1 29 29 LYS N N 29 120.700 120.700 120.603 0.097 17577 3620 1 5 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.158 -0.018 17577 3621 1 5 . 1 1 29 29 LYS C C 29 177.900 177.900 178.435 -0.535 17577 3622 1 5 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.867 1.033 17577 3623 1 5 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.323 -0.923 17577 3624 1 5 . 1 1 29 29 LYS H H 29 7.910 7.910 8.694 -0.784 17577 3625 1 5 . 1 1 30 30 ASP N N 30 118.800 118.800 116.514 2.286 17577 3626 1 5 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.486 -0.096 17577 3627 1 5 . 1 1 30 30 ASP C C 30 177.000 177.000 177.355 -0.355 17577 3628 1 5 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.575 0.625 17577 3629 1 5 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.117 -0.517 17577 3630 1 5 . 1 1 30 30 ASP H H 30 8.390 8.390 7.863 0.527 17577 3631 1 5 . 1 1 31 31 LYS N N 31 118.000 118.000 117.222 0.778 17577 3632 1 5 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.310 0.080 17577 3633 1 5 . 1 1 31 31 LYS C C 31 177.200 177.200 176.851 0.349 17577 3634 1 5 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.793 0.207 17577 3635 1 5 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.794 1.406 17577 3636 1 5 . 1 1 31 31 LYS H H 31 8.110 8.110 8.208 -0.098 17577 3637 1 5 . 1 1 32 32 MET N N 32 120.300 120.300 117.150 3.150 17577 3638 1 5 . 1 1 32 32 MET HA H 32 4.520 4.520 4.558 -0.038 17577 3639 1 5 . 1 1 32 32 MET C C 32 176.200 176.200 175.126 1.074 17577 3640 1 5 . 1 1 32 32 MET CA C 32 58.000 58.000 55.103 2.897 17577 3641 1 5 . 1 1 32 32 MET CB C 32 33.500 33.500 34.062 -0.562 17577 3642 1 5 . 1 1 32 32 MET H H 32 7.240 7.240 7.525 -0.285 17577 3643 1 5 . 1 1 33 33 LYS N N 33 120.200 120.200 117.433 2.767 17577 3644 1 5 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.505 0.195 17577 3645 1 5 . 1 1 33 33 LYS C C 33 173.000 173.000 176.157 -3.157 17577 3646 1 5 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.674 1.426 17577 3647 1 5 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.839 4.261 17577 3648 1 5 . 1 1 33 33 LYS H H 33 8.560 8.560 8.081 0.479 17577 3649 1 5 . 1 1 34 34 MET N N 34 118.300 118.300 120.719 -2.419 17577 3650 1 5 . 1 1 34 34 MET HA H 34 4.080 4.080 4.109 -0.029 17577 3651 1 5 . 1 1 34 34 MET C C 34 173.800 173.800 174.852 -1.052 17577 3652 1 5 . 1 1 34 34 MET CA C 34 59.500 59.500 56.909 2.591 17577 3653 1 5 . 1 1 34 34 MET CB C 34 35.700 35.700 33.352 2.348 17577 3654 1 5 . 1 1 34 34 MET H H 34 8.370 8.370 8.022 0.348 17577 3655 1 5 . 1 1 35 35 ALA N N 35 126.000 126.000 126.958 -0.958 17577 3656 1 5 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.106 0.154 17577 3657 1 5 . 1 1 35 35 ALA C C 35 176.100 176.100 176.016 0.084 17577 3658 1 5 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.023 0.577 17577 3659 1 5 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.429 1.371 17577 3660 1 5 . 1 1 35 35 ALA H H 35 7.360 7.360 8.412 -1.052 17577 3661 1 5 . 1 1 36 36 MET N N 36 117.100 117.100 114.753 2.347 17577 3662 1 5 . 1 1 36 36 MET HA H 36 5.280 5.280 5.295 -0.015 17577 3663 1 5 . 1 1 36 36 MET C C 36 172.600 172.600 174.645 -2.045 17577 3664 1 5 . 1 1 36 36 MET CA C 36 56.100 56.100 52.620 3.480 17577 3665 1 5 . 1 1 36 36 MET CB C 36 39.600 39.600 36.259 3.341 17577 3666 1 5 . 1 1 36 36 MET H H 36 8.920 8.920 8.700 0.220 17577 3667 1 5 . 1 1 37 37 ALA N N 37 121.700 121.700 121.260 0.440 17577 3668 1 5 . 1 1 37 37 ALA HA H 37 5.430 5.430 5.018 0.412 17577 3669 1 5 . 1 1 37 37 ALA C C 37 175.400 175.400 174.837 0.563 17577 3670 1 5 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.815 -0.614 17577 3671 1 5 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.959 1.441 17577 3672 1 5 . 1 1 37 37 ALA H H 37 8.980 8.980 9.263 -0.283 17577 3673 1 5 . 1 1 38 38 ARG N N 38 120.400 120.400 119.580 0.820 17577 3674 1 5 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.834 0.316 17577 3675 1 5 . 1 1 38 38 ARG C C 38 174.900 174.900 173.753 1.147 17577 3676 1 5 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.261 -0.061 17577 3677 1 5 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.067 1.533 17577 3678 1 5 . 1 1 38 38 ARG H H 38 9.180 9.180 7.994 1.186 17577 3679 1 5 . 1 1 39 39 ILE N N 39 126.000 126.000 123.430 2.570 17577 3680 1 5 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.930 -0.010 17577 3681 1 5 . 1 1 39 39 ILE C C 39 175.100 175.100 174.278 0.822 17577 3682 1 5 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.901 1.299 17577 3683 1 5 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.537 0.863 17577 3684 1 5 . 1 1 39 39 ILE H H 39 8.930 8.930 8.509 0.421 17577 3685 1 5 . 1 1 40 40 SER N N 40 121.700 121.700 120.185 1.515 17577 3686 1 5 . 1 1 40 40 SER HA H 40 4.630 4.630 4.589 0.041 17577 3687 1 5 . 1 1 40 40 SER CA C 40 57.900 57.900 57.053 0.848 17577 3688 1 5 . 1 1 40 40 SER CB C 40 66.300 66.300 66.269 0.032 17577 3689 1 5 . 1 1 40 40 SER H H 40 8.780 8.780 7.817 0.963 17577 3690 1 5 . 1 1 41 41 PHE N N 41 122.300 122.300 121.334 0.966 17577 3691 1 5 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.724 -0.074 17577 3692 1 5 . 1 1 41 41 PHE C C 41 175.900 175.900 176.235 -0.335 17577 3693 1 5 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.620 2.480 17577 3694 1 5 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.827 2.873 17577 3695 1 5 . 1 1 41 41 PHE H H 41 9.080 9.080 9.021 0.059 17577 3696 1 5 . 1 1 42 42 LEU N N 42 125.100 125.100 123.921 1.179 17577 3697 1 5 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.097 0.533 17577 3698 1 5 . 1 1 42 42 LEU C C 42 176.400 176.400 177.527 -1.127 17577 3699 1 5 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.338 -0.838 17577 3700 1 5 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.363 1.437 17577 3701 1 5 . 1 1 42 42 LEU H H 42 8.540 8.540 8.115 0.425 17577 3702 1 5 . 1 1 43 43 GLY N N 43 108.700 108.700 103.248 5.452 17577 3703 1 5 . 1 1 43 43 GLY C C 43 173.700 173.700 174.899 -1.199 17577 3704 1 5 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.168 0.732 17577 3705 1 5 . 1 1 43 43 GLY H H 43 8.310 8.310 8.097 0.213 17577 3706 1 5 . 1 1 44 44 GLU N N 44 120.300 120.300 121.892 -1.592 17577 3707 1 5 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.153 -0.043 17577 3708 1 5 . 1 1 44 44 GLU C C 44 177.200 177.200 176.415 0.785 17577 3709 1 5 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.283 0.317 17577 3710 1 5 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.548 1.252 17577 3711 1 5 . 1 1 44 44 GLU H H 44 8.900 8.900 8.880 0.020 17577 3712 1 5 . 1 1 45 45 ASP N N 45 115.200 115.200 113.059 2.141 17577 3713 1 5 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.865 0.005 17577 3714 1 5 . 1 1 45 45 ASP C C 45 174.500 174.500 175.800 -1.300 17577 3715 1 5 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.014 1.786 17577 3716 1 5 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.316 2.384 17577 3717 1 5 . 1 1 45 45 ASP H H 45 8.500 8.500 8.185 0.315 17577 3718 1 5 . 1 1 46 46 GLU N N 46 117.800 117.800 118.893 -1.093 17577 3719 1 5 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.643 0.927 17577 3720 1 5 . 1 1 46 46 GLU C C 46 174.800 174.800 174.381 0.419 17577 3721 1 5 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.190 0.111 17577 3722 1 5 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.703 2.297 17577 3723 1 5 . 1 1 46 46 GLU H H 46 7.450 7.450 8.367 -0.917 17577 3724 1 5 . 1 1 47 47 LEU N N 47 124.200 124.200 124.755 -0.555 17577 3725 1 5 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.108 -0.228 17577 3726 1 5 . 1 1 47 47 LEU C C 47 173.900 173.900 174.967 -1.067 17577 3727 1 5 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.936 2.364 17577 3728 1 5 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.796 0.304 17577 3729 1 5 . 1 1 47 47 LEU H H 47 9.160 9.160 9.470 -0.310 17577 3730 1 5 . 1 1 48 48 LYS N N 48 123.800 123.800 123.209 0.591 17577 3731 1 5 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.554 0.396 17577 3732 1 5 . 1 1 48 48 LYS C C 48 174.300 174.300 174.490 -0.190 17577 3733 1 5 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.501 0.499 17577 3734 1 5 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.361 1.439 17577 3735 1 5 . 1 1 48 48 LYS H H 48 9.020 9.020 8.322 0.698 17577 3736 1 5 . 1 1 49 49 VAL N N 49 126.600 126.600 126.251 0.349 17577 3737 1 5 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.906 -0.296 17577 3738 1 5 . 1 1 49 49 VAL C C 49 173.800 173.800 174.087 -0.287 17577 3739 1 5 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.705 1.595 17577 3740 1 5 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.145 0.155 17577 3741 1 5 . 1 1 49 49 VAL H H 49 8.920 8.920 8.583 0.337 17577 3742 1 5 . 1 1 50 50 SER N N 50 120.900 120.900 119.363 1.537 17577 3743 1 5 . 1 1 50 50 SER HA H 50 4.860 4.860 4.201 0.659 17577 3744 1 5 . 1 1 50 50 SER CA C 50 57.300 57.300 55.965 1.335 17577 3745 1 5 . 1 1 50 50 SER CB C 50 65.100 65.100 64.828 0.272 17577 3746 1 5 . 1 1 50 50 SER H H 50 8.360 8.360 8.226 0.134 17577 3747 1 5 . 1 1 51 51 TYR N N 51 122.000 122.000 122.715 -0.715 17577 3748 1 5 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.107 -0.257 17577 3749 1 5 . 1 1 51 51 TYR C C 51 176.800 176.800 174.024 2.776 17577 3750 1 5 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.763 2.437 17577 3751 1 5 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.367 1.233 17577 3752 1 5 . 1 1 51 51 TYR H H 51 8.990 8.990 7.758 1.232 17577 3753 1 5 . 1 1 52 52 ALA N N 52 124.000 124.000 125.214 -1.214 17577 3754 1 5 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.887 -0.017 17577 3755 1 5 . 1 1 52 52 ALA C C 52 174.800 174.800 175.206 -0.406 17577 3756 1 5 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.961 2.039 17577 3757 1 5 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.181 0.619 17577 3758 1 5 . 1 1 52 52 ALA H H 52 8.640 8.640 9.429 -0.789 17577 3759 1 5 . 1 1 53 53 VAL N N 53 124.300 124.300 125.103 -0.803 17577 3760 1 5 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.676 0.094 17577 3761 1 5 . 1 1 53 53 VAL C C 53 174.200 174.200 173.988 0.212 17577 3762 1 5 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.583 0.717 17577 3763 1 5 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.701 1.799 17577 3764 1 5 . 1 1 53 53 VAL H H 53 9.120 9.120 8.269 0.851 17577 3765 1 5 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.570 0.130 17577 3766 1 5 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.222 2.478 17577 3767 1 5 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.953 -0.053 17577 3768 1 5 . 1 1 55 55 LYS N N 55 121.100 121.100 118.683 2.417 17577 3769 1 5 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.686 0.244 17577 3770 1 5 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.591 0.009 17577 3771 1 5 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.697 -0.297 17577 3772 1 5 . 1 1 55 55 LYS H H 55 8.040 8.040 8.177 -0.137 17577 3773 1 5 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.195 0.085 17577 3774 1 5 . 1 1 56 56 PRO C C 56 177.200 177.200 176.539 0.661 17577 3775 1 5 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.882 1.518 17577 3776 1 5 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.882 0.418 17577 3777 1 5 . 1 1 57 57 ASN N N 57 114.200 114.200 114.316 -0.116 17577 3778 1 5 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.757 -0.037 17577 3779 1 5 . 1 1 57 57 ASN C C 57 174.900 174.900 174.796 0.104 17577 3780 1 5 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.762 1.238 17577 3781 1 5 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.256 0.044 17577 3782 1 5 . 1 1 57 57 ASN H H 57 8.370 8.370 8.191 0.179 17577 3783 1 5 . 1 1 58 58 GLY N N 58 106.500 106.500 106.897 -0.397 17577 3784 1 5 . 1 1 58 58 GLY C C 58 172.000 172.000 170.676 1.324 17577 3785 1 5 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.125 1.875 17577 3786 1 5 . 1 1 58 58 GLY H H 58 7.810 7.810 8.108 -0.298 17577 3787 1 5 . 1 1 60 60 ARG N N 60 132.300 132.300 127.254 5.046 17577 3788 1 5 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.734 -0.154 17577 3789 1 5 . 1 1 60 60 ARG C C 60 174.000 174.000 174.215 -0.215 17577 3790 1 5 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.394 1.106 17577 3791 1 5 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.344 0.056 17577 3792 1 5 . 1 1 60 60 ARG H H 60 9.120 9.120 8.500 0.620 17577 3793 1 5 . 1 1 61 61 LYS N N 61 126.200 126.200 124.439 1.761 17577 3794 1 5 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.920 0.600 17577 3795 1 5 . 1 1 61 61 LYS C C 61 175.900 175.900 174.973 0.927 17577 3796 1 5 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.176 0.924 17577 3797 1 5 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.393 0.707 17577 3798 1 5 . 1 1 61 61 LYS H H 61 8.500 8.500 8.454 0.046 17577 3799 1 5 . 1 1 62 62 TRP N N 62 121.900 121.900 125.640 -3.740 17577 3800 1 5 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.963 -0.103 17577 3801 1 5 . 1 1 62 62 TRP C C 62 171.900 171.900 173.469 -1.569 17577 3802 1 5 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.456 1.244 17577 3803 1 5 . 1 1 62 62 TRP CB C 62 31.300 31.300 31.079 0.221 17577 3804 1 5 . 1 1 62 62 TRP H H 62 8.070 8.070 8.932 -0.862 17577 3805 1 5 . 1 1 63 63 GLU N N 63 117.100 117.100 119.001 -1.901 17577 3806 1 5 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.008 1.602 17577 3807 1 5 . 1 1 63 63 GLU C C 63 175.500 175.500 174.392 1.108 17577 3808 1 5 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.214 0.986 17577 3809 1 5 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.085 3.015 17577 3810 1 5 . 1 1 63 63 GLU H H 63 8.450 8.450 7.895 0.555 17577 3811 1 5 . 1 1 64 64 THR N N 64 117.400 117.400 116.471 0.929 17577 3812 1 5 . 1 1 64 64 THR HA H 64 4.600 4.600 4.146 0.454 17577 3813 1 5 . 1 1 64 64 THR C C 64 171.800 171.800 172.779 -0.979 17577 3814 1 5 . 1 1 64 64 THR CA C 64 63.000 63.000 61.045 1.955 17577 3815 1 5 . 1 1 64 64 THR CB C 64 72.700 72.700 71.852 0.848 17577 3816 1 5 . 1 1 64 64 THR H H 64 8.980 8.980 8.026 0.954 17577 3817 1 5 . 1 1 65 65 THR N N 65 119.100 119.100 120.557 -1.457 17577 3818 1 5 . 1 1 65 65 THR HA H 65 5.260 5.260 4.573 0.687 17577 3819 1 5 . 1 1 65 65 THR C C 65 173.700 173.700 172.634 1.066 17577 3820 1 5 . 1 1 65 65 THR CA C 65 62.300 62.300 62.280 0.020 17577 3821 1 5 . 1 1 65 65 THR CB C 65 71.100 71.100 69.544 1.556 17577 3822 1 5 . 1 1 65 65 THR H H 65 8.380 8.380 9.323 -0.943 17577 3823 1 5 . 1 1 66 66 PHE N N 66 123.400 123.400 125.873 -2.473 17577 3824 1 5 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.678 0.152 17577 3825 1 5 . 1 1 66 66 PHE C C 66 174.200 174.200 173.660 0.540 17577 3826 1 5 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.791 1.309 17577 3827 1 5 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.202 3.398 17577 3828 1 5 . 1 1 66 66 PHE H H 66 9.590 9.590 9.510 0.080 17577 3829 1 5 . 1 1 67 67 LYS N N 67 119.700 119.700 121.859 -2.159 17577 3830 1 5 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.917 0.603 17577 3831 1 5 . 1 1 67 67 LYS C C 67 176.500 176.500 175.569 0.931 17577 3832 1 5 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.422 1.078 17577 3833 1 5 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.082 1.218 17577 3834 1 5 . 1 1 67 67 LYS H H 67 8.880 8.880 8.857 0.023 17577 3835 1 5 . 1 1 68 68 LYS N N 68 129.100 129.100 125.267 3.833 17577 3836 1 5 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.528 0.352 17577 3837 1 5 . 1 1 68 68 LYS C C 68 177.400 177.400 176.516 0.884 17577 3838 1 5 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.342 1.358 17577 3839 1 5 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.026 2.274 17577 3840 1 5 . 1 1 68 68 LYS H H 68 8.850 8.850 8.647 0.203 17577 3841 1 5 . 1 1 69 69 THR N N 69 118.500 118.500 119.991 -1.491 17577 3842 1 5 . 1 1 69 69 THR HA H 69 4.710 4.710 4.734 -0.024 17577 3843 1 5 . 1 1 69 69 THR C C 69 174.600 174.600 174.002 0.598 17577 3844 1 5 . 1 1 69 69 THR CA C 69 61.900 61.900 60.176 1.724 17577 3845 1 5 . 1 1 69 69 THR CB C 69 70.800 70.800 70.362 0.438 17577 3846 1 5 . 1 1 69 69 THR H H 69 8.720 8.720 8.446 0.274 17577 3847 1 5 . 1 1 70 70 SER N N 70 111.800 111.800 117.387 -5.587 17577 3848 1 5 . 1 1 70 70 SER HA H 70 4.420 4.420 4.602 -0.182 17577 3849 1 5 . 1 1 70 70 SER C C 70 174.500 174.500 175.510 -1.010 17577 3850 1 5 . 1 1 70 70 SER CA C 70 59.300 59.300 57.929 1.371 17577 3851 1 5 . 1 1 70 70 SER CB C 70 64.400 64.400 63.197 1.203 17577 3852 1 5 . 1 1 70 70 SER H H 70 8.350 8.350 8.565 -0.215 17577 3853 1 5 . 1 1 71 71 ASP N N 71 121.100 121.100 122.258 -1.158 17577 3854 1 5 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.237 0.143 17577 3855 1 5 . 1 1 71 71 ASP C C 71 175.600 175.600 176.061 -0.461 17577 3856 1 5 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.578 -0.478 17577 3857 1 5 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.183 1.817 17577 3858 1 5 . 1 1 71 71 ASP H H 71 7.960 7.960 7.599 0.361 17577 3859 1 5 . 1 1 72 72 ASP N N 72 121.000 121.000 117.295 3.705 17577 3860 1 5 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.563 -0.113 17577 3861 1 5 . 1 1 72 72 ASP C C 72 175.900 175.900 175.881 0.019 17577 3862 1 5 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.038 2.062 17577 3863 1 5 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.606 1.494 17577 3864 1 5 . 1 1 72 72 ASP H H 72 8.500 8.500 7.863 0.637 17577 3865 1 5 . 1 1 73 73 GLY N N 73 109.100 109.100 113.569 -4.469 17577 3866 1 5 . 1 1 73 73 GLY C C 73 172.800 172.800 174.183 -1.383 17577 3867 1 5 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.444 0.056 17577 3868 1 5 . 1 1 73 73 GLY H H 73 8.200 8.200 8.330 -0.130 17577 3869 1 5 . 1 1 74 74 GLU N N 74 123.300 123.300 125.664 -2.364 17577 3870 1 5 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.487 0.283 17577 3871 1 5 . 1 1 74 74 GLU C C 74 173.600 173.600 174.258 -0.658 17577 3872 1 5 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.770 -0.370 17577 3873 1 5 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.301 0.299 17577 3874 1 5 . 1 1 74 74 GLU H H 74 8.780 8.780 8.267 0.513 17577 3875 1 5 . 1 1 75 75 VAL N N 75 123.500 123.500 122.135 1.365 17577 3876 1 5 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.182 0.858 17577 3877 1 5 . 1 1 75 75 VAL C C 75 174.100 174.100 173.692 0.408 17577 3878 1 5 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.937 1.563 17577 3879 1 5 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.713 -1.713 17577 3880 1 5 . 1 1 75 75 VAL H H 75 7.870 7.870 7.626 0.244 17577 3881 1 5 . 1 1 76 76 TYR N N 76 125.000 125.000 121.972 3.028 17577 3882 1 5 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.304 -0.064 17577 3883 1 5 . 1 1 76 76 TYR C C 76 174.300 174.300 175.194 -0.894 17577 3884 1 5 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.183 1.617 17577 3885 1 5 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.428 2.272 17577 3886 1 5 . 1 1 76 76 TYR H H 76 9.360 9.360 8.303 1.057 17577 3887 1 5 . 1 1 77 77 TYR N N 77 120.500 120.500 117.487 3.013 17577 3888 1 5 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.699 0.181 17577 3889 1 5 . 1 1 77 77 TYR C C 77 174.600 174.600 173.600 1.000 17577 3890 1 5 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.334 1.666 17577 3891 1 5 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.093 2.507 17577 3892 1 5 . 1 1 77 77 TYR H H 77 9.480 9.480 9.394 0.086 17577 3893 1 5 . 1 1 78 78 SER N N 78 125.100 125.100 118.136 6.964 17577 3894 1 5 . 1 1 78 78 SER HA H 78 4.830 4.830 4.315 0.515 17577 3895 1 5 . 1 1 78 78 SER C C 78 174.300 174.300 174.457 -0.157 17577 3896 1 5 . 1 1 78 78 SER CA C 78 55.600 55.600 55.785 -0.185 17577 3897 1 5 . 1 1 78 78 SER CB C 78 64.400 64.400 63.646 0.754 17577 3898 1 5 . 1 1 78 78 SER H H 78 8.570 8.570 8.645 -0.075 17577 3899 1 5 . 1 1 79 79 GLU N N 79 130.000 130.000 127.635 2.365 17577 3900 1 5 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.018 -0.038 17577 3901 1 5 . 1 1 79 79 GLU C C 79 178.600 178.600 177.063 1.537 17577 3902 1 5 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.505 0.595 17577 3903 1 5 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.387 1.113 17577 3904 1 5 . 1 1 79 79 GLU H H 79 8.670 8.670 8.358 0.312 17577 3905 1 5 . 1 1 80 80 GLU N N 80 118.900 118.900 116.389 2.511 17577 3906 1 5 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.145 -0.145 17577 3907 1 5 . 1 1 80 80 GLU C C 80 177.700 177.700 178.031 -0.331 17577 3908 1 5 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.660 1.340 17577 3909 1 5 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.277 1.223 17577 3910 1 5 . 1 1 80 80 GLU H H 80 8.560 8.560 8.632 -0.072 17577 3911 1 5 . 1 1 81 81 ALA N N 81 117.600 117.600 120.645 -3.045 17577 3912 1 5 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.448 -0.058 17577 3913 1 5 . 1 1 81 81 ALA C C 81 176.000 176.000 176.993 -0.993 17577 3914 1 5 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.440 0.960 17577 3915 1 5 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.782 0.818 17577 3916 1 5 . 1 1 81 81 ALA H H 81 7.410 7.410 7.089 0.321 17577 3917 1 5 . 1 1 82 82 LYS N N 82 118.300 118.300 116.555 1.745 17577 3918 1 5 . 1 1 82 82 LYS HA H 82 3.870 3.870 4.045 -0.175 17577 3919 1 5 . 1 1 82 82 LYS C C 82 175.100 175.100 174.408 0.692 17577 3920 1 5 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.181 0.019 17577 3921 1 5 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.449 0.851 17577 3922 1 5 . 1 1 82 82 LYS H H 82 7.830 7.830 8.220 -0.390 17577 3923 1 5 . 1 1 83 83 LYS N N 83 118.400 118.400 119.682 -1.282 17577 3924 1 5 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.201 0.239 17577 3925 1 5 . 1 1 83 83 LYS C C 83 172.400 172.400 174.473 -2.073 17577 3926 1 5 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.315 0.185 17577 3927 1 5 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.505 2.595 17577 3928 1 5 . 1 1 83 83 LYS H H 83 7.150 7.150 7.593 -0.443 17577 3929 1 5 . 1 1 84 84 LYS N N 84 130.000 130.000 127.998 2.002 17577 3930 1 5 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.527 0.153 17577 3931 1 5 . 1 1 84 84 LYS C C 84 174.900 174.900 174.254 0.646 17577 3932 1 5 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.933 0.767 17577 3933 1 5 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.906 1.095 17577 3934 1 5 . 1 1 84 84 LYS H H 84 9.540 9.540 9.260 0.280 17577 3935 1 5 . 1 1 85 85 VAL N N 85 121.100 121.100 123.459 -2.359 17577 3936 1 5 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.375 -0.395 17577 3937 1 5 . 1 1 85 85 VAL C C 85 173.000 173.000 174.048 -1.048 17577 3938 1 5 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.432 1.968 17577 3939 1 5 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.922 1.778 17577 3940 1 5 . 1 1 85 85 VAL H H 85 9.510 9.510 8.760 0.750 17577 3941 1 5 . 1 1 86 86 GLU N N 86 123.700 123.700 126.258 -2.558 17577 3942 1 5 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.831 0.489 17577 3943 1 5 . 1 1 86 86 GLU C C 86 175.800 175.800 175.009 0.791 17577 3944 1 5 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.862 0.838 17577 3945 1 5 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.879 1.321 17577 3946 1 5 . 1 1 86 86 GLU H H 86 8.830 8.830 8.343 0.487 17577 3947 1 5 . 1 1 87 87 VAL N N 87 125.400 125.400 124.687 0.713 17577 3948 1 5 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.103 0.067 17577 3949 1 5 . 1 1 87 87 VAL C C 87 176.000 176.000 174.723 1.277 17577 3950 1 5 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.865 -0.365 17577 3951 1 5 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.362 0.638 17577 3952 1 5 . 1 1 87 87 VAL H H 87 8.760 8.760 9.135 -0.375 17577 3953 1 5 . 1 1 88 88 LEU N N 88 128.000 128.000 130.020 -2.020 17577 3954 1 5 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.546 -0.156 17577 3955 1 5 . 1 1 88 88 LEU C C 88 177.200 177.200 176.585 0.615 17577 3956 1 5 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.277 1.723 17577 3957 1 5 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.893 1.307 17577 3958 1 5 . 1 1 88 88 LEU H H 88 8.990 8.990 8.476 0.514 17577 3959 1 5 . 1 1 89 89 ASP N N 89 113.900 113.900 116.490 -2.590 17577 3960 1 5 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.768 0.012 17577 3961 1 5 . 1 1 89 89 ASP C C 89 173.900 173.900 173.931 -0.031 17577 3962 1 5 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.767 1.133 17577 3963 1 5 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.907 2.693 17577 3964 1 5 . 1 1 89 89 ASP H H 89 7.140 7.140 7.698 -0.558 17577 3965 1 5 . 1 1 90 90 THR N N 90 119.500 119.500 119.165 0.335 17577 3966 1 5 . 1 1 90 90 THR HA H 90 3.800 3.800 4.588 -0.788 17577 3967 1 5 . 1 1 90 90 THR C C 90 169.800 169.800 173.151 -3.351 17577 3968 1 5 . 1 1 90 90 THR CA C 90 61.500 61.500 61.745 -0.245 17577 3969 1 5 . 1 1 90 90 THR CB C 90 69.200 69.200 70.297 -1.097 17577 3970 1 5 . 1 1 90 90 THR H H 90 8.070 8.070 8.304 -0.234 17577 3971 1 5 . 1 1 91 91 ASP N N 91 122.400 122.400 128.778 -6.378 17577 3972 1 5 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.473 0.377 17577 3973 1 5 . 1 1 91 91 ASP C C 91 176.800 176.800 176.479 0.321 17577 3974 1 5 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.143 -0.243 17577 3975 1 5 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.009 0.891 17577 3976 1 5 . 1 1 91 91 ASP H H 91 6.790 6.790 8.829 -2.039 17577 3977 1 5 . 1 1 92 92 TYR N N 92 115.100 115.100 115.082 0.018 17577 3978 1 5 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.994 -0.484 17577 3979 1 5 . 1 1 92 92 TYR C C 92 173.900 173.900 174.429 -0.529 17577 3980 1 5 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.506 2.794 17577 3981 1 5 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.459 0.141 17577 3982 1 5 . 1 1 92 92 TYR H H 92 9.420 9.420 8.521 0.899 17577 3983 1 5 . 1 1 93 93 LYS N N 93 112.300 112.300 115.465 -3.165 17577 3984 1 5 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.312 0.358 17577 3985 1 5 . 1 1 93 93 LYS C C 93 175.600 175.600 175.259 0.341 17577 3986 1 5 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.828 2.672 17577 3987 1 5 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.735 4.065 17577 3988 1 5 . 1 1 93 93 LYS H H 93 8.080 8.080 8.211 -0.131 17577 3989 1 5 . 1 1 94 94 SER N N 94 120.300 120.300 111.896 8.404 17577 3990 1 5 . 1 1 94 94 SER HA H 94 4.820 4.820 4.555 0.265 17577 3991 1 5 . 1 1 94 94 SER CA C 94 61.200 61.200 59.230 1.970 17577 3992 1 5 . 1 1 94 94 SER CB C 94 68.800 68.800 65.532 3.268 17577 3993 1 5 . 1 1 94 94 SER H H 94 11.420 11.420 7.669 3.751 17577 3994 1 5 . 1 1 95 95 TYR N N 95 122.700 122.700 115.361 7.339 17577 3995 1 5 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.290 0.860 17577 3996 1 5 . 1 1 95 95 TYR C C 95 173.500 173.500 173.481 0.019 17577 3997 1 5 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.056 2.544 17577 3998 1 5 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.033 1.567 17577 3999 1 5 . 1 1 95 95 TYR H H 95 8.490 8.490 7.090 1.399 17577 4000 1 5 . 1 1 96 96 ALA N N 96 120.900 120.900 121.335 -0.435 17577 4001 1 5 . 1 1 96 96 ALA HA H 96 4.550 4.550 5.199 -0.649 17577 4002 1 5 . 1 1 96 96 ALA C C 96 174.700 174.700 175.198 -0.498 17577 4003 1 5 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.754 1.746 17577 4004 1 5 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.627 1.073 17577 4005 1 5 . 1 1 96 96 ALA H H 96 9.010 9.010 8.769 0.241 17577 4006 1 5 . 1 1 97 97 VAL N N 97 121.700 121.700 122.744 -1.044 17577 4007 1 5 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.217 -0.197 17577 4008 1 5 . 1 1 97 97 VAL C C 97 174.300 174.300 174.582 -0.282 17577 4009 1 5 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.913 2.287 17577 4010 1 5 . 1 1 97 97 VAL CB C 97 33.600 33.600 32.599 1.001 17577 4011 1 5 . 1 1 97 97 VAL H H 97 9.310 9.310 8.851 0.459 17577 4012 1 5 . 1 1 98 98 ILE N N 98 129.600 129.600 124.905 4.695 17577 4013 1 5 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.589 0.461 17577 4014 1 5 . 1 1 98 98 ILE C C 98 174.000 174.000 174.332 -0.332 17577 4015 1 5 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.766 -0.566 17577 4016 1 5 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.203 0.497 17577 4017 1 5 . 1 1 98 98 ILE H H 98 9.550 9.550 8.314 1.236 17577 4018 1 5 . 1 1 99 99 TYR N N 99 128.100 128.100 126.782 1.318 17577 4019 1 5 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.798 0.462 17577 4020 1 5 . 1 1 99 99 TYR C C 99 173.700 173.700 174.130 -0.430 17577 4021 1 5 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.303 0.397 17577 4022 1 5 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.350 2.850 17577 4023 1 5 . 1 1 99 99 TYR H H 99 9.550 9.550 8.151 1.399 17577 4024 1 5 . 1 1 100 100 ALA N N 100 134.400 134.400 131.016 3.384 17577 4025 1 5 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.617 0.103 17577 4026 1 5 . 1 1 100 100 ALA C C 100 175.500 175.500 175.639 -0.139 17577 4027 1 5 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.743 1.657 17577 4028 1 5 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.907 2.993 17577 4029 1 5 . 1 1 100 100 ALA H H 100 9.610 9.610 8.827 0.783 17577 4030 1 5 . 1 1 101 101 THR N N 101 116.200 116.200 117.606 -1.406 17577 4031 1 5 . 1 1 101 101 THR HA H 101 5.450 5.450 4.927 0.523 17577 4032 1 5 . 1 1 101 101 THR C C 101 173.600 173.600 172.794 0.806 17577 4033 1 5 . 1 1 101 101 THR CA C 101 62.000 62.000 60.927 1.073 17577 4034 1 5 . 1 1 101 101 THR CB C 101 73.100 73.100 70.862 2.238 17577 4035 1 5 . 1 1 101 101 THR H H 101 9.430 9.430 8.948 0.482 17577 4036 1 5 . 1 1 102 102 ARG N N 102 125.700 125.700 129.263 -3.563 17577 4037 1 5 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.324 -0.114 17577 4038 1 5 . 1 1 102 102 ARG C C 102 173.900 173.900 173.769 0.131 17577 4039 1 5 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.766 0.734 17577 4040 1 5 . 1 1 102 102 ARG CB C 102 36.100 36.100 34.005 2.095 17577 4041 1 5 . 1 1 102 102 ARG H H 102 8.970 8.970 8.361 0.609 17577 4042 1 5 . 1 1 103 103 VAL N N 103 122.100 122.100 126.103 -4.003 17577 4043 1 5 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.472 0.298 17577 4044 1 5 . 1 1 103 103 VAL C C 103 175.700 175.700 174.509 1.191 17577 4045 1 5 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.094 1.306 17577 4046 1 5 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.717 -0.317 17577 4047 1 5 . 1 1 103 103 VAL H H 103 7.870 7.870 8.086 -0.216 17577 4048 1 5 . 1 1 104 104 LYS N N 104 130.100 130.100 128.110 1.990 17577 4049 1 5 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.541 -0.081 17577 4050 1 5 . 1 1 104 104 LYS C C 104 175.400 175.400 175.870 -0.470 17577 4051 1 5 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.397 1.603 17577 4052 1 5 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.820 1.580 17577 4053 1 5 . 1 1 104 104 LYS H H 104 8.980 8.980 8.580 0.400 17577 4054 1 5 . 1 1 106 106 GLY N N 106 136.200 136.200 113.169 23.031 17577 4055 1 5 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.938 1.462 17577 4056 1 5 . 1 1 106 106 GLY H H 106 8.330 8.330 8.654 -0.324 17577 4057 1 5 . 1 1 107 107 ARG N N 107 121.300 121.300 120.822 0.478 17577 4058 1 5 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.711 -0.041 17577 4059 1 5 . 1 1 107 107 ARG C C 107 174.500 174.500 174.659 -0.159 17577 4060 1 5 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.752 0.648 17577 4061 1 5 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.326 -0.126 17577 4062 1 5 . 1 1 107 107 ARG H H 107 7.880 7.880 8.064 -0.184 17577 4063 1 5 . 1 1 108 108 THR N N 108 118.800 118.800 117.192 1.608 17577 4064 1 5 . 1 1 108 108 THR HA H 108 4.490 4.490 4.605 -0.115 17577 4065 1 5 . 1 1 108 108 THR C C 108 173.400 173.400 173.481 -0.081 17577 4066 1 5 . 1 1 108 108 THR CA C 108 64.100 64.100 61.536 2.564 17577 4067 1 5 . 1 1 108 108 THR CB C 108 69.800 69.800 70.829 -1.029 17577 4068 1 5 . 1 1 108 108 THR H H 108 8.650 8.650 8.363 0.287 17577 4069 1 5 . 1 1 109 109 LEU N N 109 128.900 128.900 125.318 3.582 17577 4070 1 5 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.886 -0.156 17577 4071 1 5 . 1 1 109 109 LEU C C 109 175.700 175.700 174.193 1.507 17577 4072 1 5 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.200 0.100 17577 4073 1 5 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.006 0.494 17577 4074 1 5 . 1 1 109 109 LEU H H 109 9.220 9.220 8.403 0.817 17577 4075 1 5 . 1 1 110 110 HIS N N 110 116.200 116.200 119.190 -2.990 17577 4076 1 5 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.233 0.807 17577 4077 1 5 . 1 1 110 110 HIS C C 110 175.300 175.300 173.496 1.804 17577 4078 1 5 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.900 1.400 17577 4079 1 5 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.411 2.089 17577 4080 1 5 . 1 1 110 110 HIS H H 110 8.490 8.490 7.944 0.546 17577 4081 1 5 . 1 1 111 111 MET N N 111 123.400 123.400 115.084 8.316 17577 4082 1 5 . 1 1 111 111 MET HA H 111 4.550 4.550 4.686 -0.136 17577 4083 1 5 . 1 1 111 111 MET C C 111 174.000 174.000 173.632 0.368 17577 4084 1 5 . 1 1 111 111 MET CA C 111 56.600 56.600 54.835 1.765 17577 4085 1 5 . 1 1 111 111 MET CB C 111 37.800 37.800 36.673 1.127 17577 4086 1 5 . 1 1 111 111 MET H H 111 9.090 9.090 8.758 0.332 17577 4087 1 5 . 1 1 112 112 MET N N 112 122.900 122.900 118.157 4.743 17577 4088 1 5 . 1 1 112 112 MET HA H 112 5.670 5.670 5.320 0.350 17577 4089 1 5 . 1 1 112 112 MET C C 112 175.400 175.400 175.858 -0.458 17577 4090 1 5 . 1 1 112 112 MET CA C 112 55.100 55.100 53.816 1.284 17577 4091 1 5 . 1 1 112 112 MET CB C 112 37.200 37.200 34.328 2.872 17577 4092 1 5 . 1 1 112 112 MET H H 112 9.120 9.120 8.492 0.628 17577 4093 1 5 . 1 1 113 113 ARG N N 113 119.500 119.500 123.777 -4.277 17577 4094 1 5 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.815 0.235 17577 4095 1 5 . 1 1 113 113 ARG C C 113 173.800 173.800 173.490 0.310 17577 4096 1 5 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.876 1.124 17577 4097 1 5 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.297 4.303 17577 4098 1 5 . 1 1 113 113 ARG H H 113 9.390 9.390 8.698 0.692 17577 4099 1 5 . 1 1 114 114 LEU N N 114 124.400 124.400 129.044 -4.644 17577 4100 1 5 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.677 -0.647 17577 4101 1 5 . 1 1 114 114 LEU C C 114 174.200 174.200 174.494 -0.294 17577 4102 1 5 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.071 1.029 17577 4103 1 5 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.298 -1.398 17577 4104 1 5 . 1 1 114 114 LEU H H 114 8.020 8.020 9.230 -1.210 17577 4105 1 5 . 1 1 115 115 TYR N N 115 126.000 126.000 127.641 -1.641 17577 4106 1 5 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.750 0.050 17577 4107 1 5 . 1 1 115 115 TYR C C 115 176.500 176.500 173.498 3.002 17577 4108 1 5 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.890 3.110 17577 4109 1 5 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.558 0.342 17577 4110 1 5 . 1 1 115 115 TYR H H 115 9.540 9.540 8.803 0.737 17577 4111 1 5 . 1 1 116 116 SER N N 116 113.200 113.200 115.491 -2.291 17577 4112 1 5 . 1 1 116 116 SER HA H 116 5.840 5.840 4.757 1.083 17577 4113 1 5 . 1 1 116 116 SER C C 116 175.400 175.400 174.111 1.289 17577 4114 1 5 . 1 1 116 116 SER CA C 116 56.600 56.600 55.250 1.350 17577 4115 1 5 . 1 1 116 116 SER CB C 116 67.700 67.700 65.903 1.797 17577 4116 1 5 . 1 1 116 116 SER H H 116 9.930 9.930 8.873 1.057 17577 4117 1 5 . 1 1 117 117 ARG N N 117 130.500 130.500 126.015 4.485 17577 4118 1 5 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.097 -0.417 17577 4119 1 5 . 1 1 117 117 ARG C C 117 175.400 175.400 176.120 -0.720 17577 4120 1 5 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.149 2.151 17577 4121 1 5 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.676 1.824 17577 4122 1 5 . 1 1 117 117 ARG H H 117 8.350 8.350 8.117 0.233 17577 4123 1 5 . 1 1 118 118 SER N N 118 111.300 111.300 113.080 -1.780 17577 4124 1 5 . 1 1 118 118 SER HA H 118 4.990 4.990 4.759 0.231 17577 4125 1 5 . 1 1 118 118 SER C C 118 173.400 173.400 172.176 1.224 17577 4126 1 5 . 1 1 118 118 SER CA C 118 54.800 54.800 54.460 0.340 17577 4127 1 5 . 1 1 118 118 SER CB C 118 65.800 65.800 64.660 1.140 17577 4128 1 5 . 1 1 118 118 SER H H 118 7.980 7.980 7.323 0.657 17577 4129 1 5 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.908 0.062 17577 4130 1 5 . 1 1 119 119 PRO C C 119 175.500 175.500 176.766 -1.266 17577 4131 1 5 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.217 0.883 17577 4132 1 5 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.837 0.363 17577 4133 1 5 . 1 1 120 120 GLU N N 120 117.500 117.500 117.037 0.463 17577 4134 1 5 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.351 -0.091 17577 4135 1 5 . 1 1 120 120 GLU C C 120 174.500 174.500 175.462 -0.962 17577 4136 1 5 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.672 0.128 17577 4137 1 5 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.084 -1.384 17577 4138 1 5 . 1 1 120 120 GLU H H 120 7.410 7.410 7.492 -0.082 17577 4139 1 5 . 1 1 121 121 VAL N N 121 124.900 124.900 119.944 4.956 17577 4140 1 5 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.189 -0.049 17577 4141 1 5 . 1 1 121 121 VAL C C 121 174.400 174.400 176.041 -1.641 17577 4142 1 5 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.225 0.475 17577 4143 1 5 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.972 1.128 17577 4144 1 5 . 1 1 121 121 VAL H H 121 7.900 7.900 8.471 -0.571 17577 4145 1 5 . 1 1 122 122 SER N N 122 124.500 124.500 123.336 1.164 17577 4146 1 5 . 1 1 122 122 SER HA H 122 4.750 4.750 4.737 0.013 17577 4147 1 5 . 1 1 122 122 SER CA C 122 57.300 57.300 55.272 2.028 17577 4148 1 5 . 1 1 122 122 SER CB C 122 64.500 64.500 64.377 0.123 17577 4149 1 5 . 1 1 122 122 SER H H 122 8.680 8.680 8.359 0.321 17577 4150 1 5 . 1 1 123 123 PRO C C 123 175.600 175.600 177.230 -1.630 17577 4151 1 5 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.309 1.591 17577 4152 1 5 . 1 1 124 124 ALA N N 124 120.100 120.100 120.917 -0.817 17577 4153 1 5 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.061 0.009 17577 4154 1 5 . 1 1 124 124 ALA C C 124 179.900 179.900 178.795 1.105 17577 4155 1 5 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.684 1.116 17577 4156 1 5 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.987 1.113 17577 4157 1 5 . 1 1 124 124 ALA H H 124 8.030 8.030 7.641 0.389 17577 4158 1 5 . 1 1 125 125 ALA N N 125 121.100 121.100 120.053 1.047 17577 4159 1 5 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.039 0.391 17577 4160 1 5 . 1 1 125 125 ALA C C 125 179.200 179.200 179.312 -0.112 17577 4161 1 5 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.377 1.223 17577 4162 1 5 . 1 1 125 125 ALA CB C 125 19.200 19.200 17.880 1.320 17577 4163 1 5 . 1 1 125 125 ALA H H 125 7.510 7.510 7.810 -0.300 17577 4164 1 5 . 1 1 126 126 THR N N 126 113.200 113.200 113.735 -0.535 17577 4165 1 5 . 1 1 126 126 THR HA H 126 4.150 4.150 4.008 0.142 17577 4166 1 5 . 1 1 126 126 THR C C 126 176.100 176.100 176.260 -0.160 17577 4167 1 5 . 1 1 126 126 THR CA C 126 68.900 68.900 66.015 2.885 17577 4168 1 5 . 1 1 126 126 THR CB C 126 67.700 67.700 68.570 -0.870 17577 4169 1 5 . 1 1 126 126 THR H H 126 7.820 7.820 7.443 0.377 17577 4170 1 5 . 1 1 127 127 ALA N N 127 123.100 123.100 125.008 -1.908 17577 4171 1 5 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.110 -0.030 17577 4172 1 5 . 1 1 127 127 ALA C C 127 181.100 181.100 179.030 2.070 17577 4173 1 5 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.033 1.167 17577 4174 1 5 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.368 0.332 17577 4175 1 5 . 1 1 127 127 ALA H H 127 7.900 7.900 7.349 0.551 17577 4176 1 5 . 1 1 128 128 ILE N N 128 120.900 120.900 119.883 1.017 17577 4177 1 5 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.776 -0.036 17577 4178 1 5 . 1 1 128 128 ILE C C 128 177.300 177.300 176.964 0.336 17577 4179 1 5 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.394 2.206 17577 4180 1 5 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.932 2.468 17577 4181 1 5 . 1 1 128 128 ILE H H 128 7.640 7.640 8.281 -0.641 17577 4182 1 5 . 1 1 129 129 PHE N N 129 120.300 120.300 119.355 0.945 17577 4183 1 5 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.005 0.005 17577 4184 1 5 . 1 1 129 129 PHE C C 129 176.100 176.100 177.101 -1.001 17577 4185 1 5 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.118 1.182 17577 4186 1 5 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.048 1.852 17577 4187 1 5 . 1 1 129 129 PHE H H 129 8.250 8.250 7.751 0.499 17577 4188 1 5 . 1 1 130 130 ARG N N 130 116.300 116.300 119.483 -3.183 17577 4189 1 5 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.921 -0.361 17577 4190 1 5 . 1 1 130 130 ARG C C 130 179.400 179.400 178.101 1.299 17577 4191 1 5 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.111 1.989 17577 4192 1 5 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.198 0.402 17577 4193 1 5 . 1 1 130 130 ARG H H 130 8.650 8.650 7.849 0.801 17577 4194 1 5 . 1 1 131 131 LYS N N 131 122.200 122.200 120.267 1.933 17577 4195 1 5 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.958 0.072 17577 4196 1 5 . 1 1 131 131 LYS C C 131 179.300 179.300 179.056 0.244 17577 4197 1 5 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.866 0.634 17577 4198 1 5 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.304 0.896 17577 4199 1 5 . 1 1 131 131 LYS H H 131 8.020 8.020 7.701 0.319 17577 4200 1 5 . 1 1 132 132 LEU N N 132 120.300 120.300 115.638 4.662 17577 4201 1 5 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.083 -0.153 17577 4202 1 5 . 1 1 132 132 LEU C C 132 179.600 179.600 178.837 0.763 17577 4203 1 5 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.843 0.757 17577 4204 1 5 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.249 1.251 17577 4205 1 5 . 1 1 132 132 LEU H H 132 8.450 8.450 7.378 1.072 17577 4206 1 5 . 1 1 133 133 ALA N N 133 122.400 122.400 121.174 1.226 17577 4207 1 5 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.556 0.414 17577 4208 1 5 . 1 1 133 133 ALA C C 133 180.400 180.400 179.273 1.127 17577 4209 1 5 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.306 1.694 17577 4210 1 5 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.899 0.001 17577 4211 1 5 . 1 1 133 133 ALA H H 133 8.750 8.750 7.290 1.460 17577 4212 1 5 . 1 1 134 134 GLY N N 134 107.400 107.400 106.476 0.924 17577 4213 1 5 . 1 1 134 134 GLY C C 134 178.200 178.200 176.878 1.322 17577 4214 1 5 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.719 1.381 17577 4215 1 5 . 1 1 134 134 GLY H H 134 8.130 8.130 8.557 -0.427 17577 4216 1 5 . 1 1 135 135 GLU N N 135 121.900 121.900 120.097 1.803 17577 4217 1 5 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.110 -0.060 17577 4218 1 5 . 1 1 135 135 GLU C C 135 177.400 177.400 177.515 -0.115 17577 4219 1 5 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.984 1.316 17577 4220 1 5 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.576 0.824 17577 4221 1 5 . 1 1 135 135 GLU H H 135 7.730 7.730 7.705 0.025 17577 4222 1 5 . 1 1 136 136 ARG N N 136 118.000 118.000 117.833 0.167 17577 4223 1 5 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.401 -0.251 17577 4224 1 5 . 1 1 136 136 ARG C C 136 173.500 173.500 175.439 -1.939 17577 4225 1 5 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.612 0.188 17577 4226 1 5 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.636 -1.736 17577 4227 1 5 . 1 1 136 136 ARG H H 136 7.130 7.130 7.350 -0.220 17577 4228 1 5 . 1 1 137 137 ASN N N 137 109.600 109.600 116.258 -6.658 17577 4229 1 5 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.476 -0.326 17577 4230 1 5 . 1 1 137 137 ASN C C 137 174.200 174.200 174.858 -0.658 17577 4231 1 5 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.658 1.342 17577 4232 1 5 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.313 0.887 17577 4233 1 5 . 1 1 137 137 ASN H H 137 7.560 7.560 8.375 -0.815 17577 4234 1 5 . 1 1 138 138 TYR N N 138 118.600 118.600 117.063 1.537 17577 4235 1 5 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.781 0.509 17577 4236 1 5 . 1 1 138 138 TYR C C 138 175.900 175.900 174.839 1.061 17577 4237 1 5 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.542 1.158 17577 4238 1 5 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.760 -2.160 17577 4239 1 5 . 1 1 138 138 TYR H H 138 8.020 8.020 8.067 -0.047 17577 4240 1 5 . 1 1 139 139 THR N N 139 115.000 115.000 110.432 4.568 17577 4241 1 5 . 1 1 139 139 THR HA H 139 4.420 4.420 4.017 0.403 17577 4242 1 5 . 1 1 139 139 THR C C 139 175.500 175.500 175.116 0.384 17577 4243 1 5 . 1 1 139 139 THR CA C 139 61.400 61.400 59.220 2.180 17577 4244 1 5 . 1 1 139 139 THR CB C 139 71.400 71.400 72.011 -0.611 17577 4245 1 5 . 1 1 139 139 THR H H 139 7.740 7.740 7.928 -0.188 17577 4246 1 5 . 1 1 140 140 ASP N N 140 117.900 117.900 124.368 -6.468 17577 4247 1 5 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.152 0.108 17577 4248 1 5 . 1 1 140 140 ASP C C 140 178.400 178.400 177.522 0.878 17577 4249 1 5 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.768 1.232 17577 4250 1 5 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.606 1.194 17577 4251 1 5 . 1 1 140 140 ASP H H 140 8.630 8.630 8.651 -0.021 17577 4252 1 5 . 1 1 141 141 GLU N N 141 116.800 116.800 118.501 -1.701 17577 4253 1 5 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.077 0.193 17577 4254 1 5 . 1 1 141 141 GLU C C 141 176.200 176.200 177.816 -1.616 17577 4255 1 5 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.258 0.842 17577 4256 1 5 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.362 0.738 17577 4257 1 5 . 1 1 141 141 GLU H H 141 8.500 8.500 8.102 0.398 17577 4258 1 5 . 1 1 142 142 MET N N 142 117.400 117.400 115.537 1.863 17577 4259 1 5 . 1 1 142 142 MET HA H 142 4.490 4.490 4.362 0.128 17577 4260 1 5 . 1 1 142 142 MET C C 142 172.900 172.900 176.076 -3.176 17577 4261 1 5 . 1 1 142 142 MET CA C 142 57.100 57.100 57.366 -0.266 17577 4262 1 5 . 1 1 142 142 MET CB C 142 33.400 33.400 33.766 -0.366 17577 4263 1 5 . 1 1 142 142 MET H H 142 7.960 7.960 7.805 0.155 17577 4264 1 5 . 1 1 143 143 VAL N N 143 116.800 116.800 117.903 -1.103 17577 4265 1 5 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.582 0.208 17577 4266 1 5 . 1 1 143 143 VAL C C 143 175.600 175.600 173.901 1.699 17577 4267 1 5 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.727 2.473 17577 4268 1 5 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.417 0.083 17577 4269 1 5 . 1 1 143 143 VAL H H 143 7.120 7.120 7.947 -0.827 17577 4270 1 5 . 1 1 144 144 ALA N N 144 131.000 131.000 132.479 -1.479 17577 4271 1 5 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.791 0.019 17577 4272 1 5 . 1 1 144 144 ALA C C 144 175.800 175.800 175.658 0.142 17577 4273 1 5 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.662 0.838 17577 4274 1 5 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.041 1.560 17577 4275 1 5 . 1 1 144 144 ALA H H 144 9.600 9.600 8.395 1.205 17577 4276 1 5 . 1 1 145 145 MET N N 145 122.400 122.400 125.313 -2.913 17577 4277 1 5 . 1 1 145 145 MET HA H 145 4.890 4.890 4.493 0.397 17577 4278 1 5 . 1 1 145 145 MET C C 145 176.900 176.900 174.793 2.107 17577 4279 1 5 . 1 1 145 145 MET CA C 145 54.000 54.000 55.966 -1.966 17577 4280 1 5 . 1 1 145 145 MET CB C 145 30.100 30.100 33.892 -3.792 17577 4281 1 5 . 1 1 145 145 MET H H 145 8.630 8.630 8.580 0.050 17577 4282 1 5 . 1 1 146 146 LEU N N 146 125.400 125.400 127.327 -1.927 17577 4283 1 5 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.898 -0.358 17577 4284 1 5 . 1 1 146 146 LEU C C 146 174.500 174.500 174.651 -0.151 17577 4285 1 5 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.390 2.510 17577 4286 1 5 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.942 -2.142 17577 4287 1 5 . 1 1 146 146 LEU H H 146 7.880 7.880 8.545 -0.665 17577 4288 1 5 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.745 -0.165 17577 4289 1 5 . 1 1 147 147 PRO C C 147 176.200 176.200 177.136 -0.936 17577 4290 1 5 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.035 1.265 17577 4291 1 5 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.024 0.576 17577 4292 1 5 . 1 1 148 148 ARG N N 148 120.700 120.700 118.247 2.453 17577 4293 1 5 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.124 0.146 17577 4294 1 5 . 1 1 148 148 ARG C C 148 175.500 175.500 176.037 -0.537 17577 4295 1 5 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.669 0.631 17577 4296 1 5 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.281 2.119 17577 4297 1 5 . 1 1 148 148 ARG H H 148 8.540 8.540 8.585 -0.045 17577 4298 1 5 . 1 1 149 149 GLN N N 149 115.000 115.000 119.314 -4.314 17577 4299 1 5 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.180 0.540 17577 4300 1 5 . 1 1 149 149 GLN C C 149 174.300 174.300 175.141 -0.841 17577 4301 1 5 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.737 -0.837 17577 4302 1 5 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.514 1.186 17577 4303 1 5 . 1 1 149 149 GLN H H 149 7.770 7.770 8.025 -0.255 17577 4304 1 5 . 1 1 150 150 GLU N N 150 117.800 117.800 121.129 -3.329 17577 4305 1 5 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.579 -0.109 17577 4306 1 5 . 1 1 150 150 GLU C C 150 175.800 175.800 175.526 0.274 17577 4307 1 5 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.890 1.410 17577 4308 1 5 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.770 0.630 17577 4309 1 5 . 1 1 150 150 GLU H H 150 8.570 8.570 8.347 0.223 17577 4310 1 5 . 1 1 151 151 GLU N N 151 119.200 119.200 122.908 -3.708 17577 4311 1 5 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.473 -0.213 17577 4312 1 5 . 1 1 151 151 GLU C C 151 176.000 176.000 175.371 0.629 17577 4313 1 5 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.059 2.441 17577 4314 1 5 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.687 1.513 17577 4315 1 5 . 1 1 151 151 GLU H H 151 8.000 8.000 8.774 -0.774 17577 4316 1 5 . 1 1 152 152 CYS N N 152 122.100 122.100 117.669 4.431 17577 4317 1 5 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.927 0.213 17577 4318 1 5 . 1 1 152 152 CYS C C 152 172.800 172.800 173.248 -0.448 17577 4319 1 5 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.941 -3.941 17577 4320 1 5 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.643 4.257 17577 4321 1 5 . 1 1 152 152 CYS H H 152 9.620 9.620 8.078 1.542 17577 4322 1 5 . 1 1 153 153 THR N N 153 118.000 118.000 113.809 4.191 17577 4323 1 5 . 1 1 153 153 THR HA H 153 4.860 4.860 4.732 0.128 17577 4324 1 5 . 1 1 153 153 THR C C 153 173.000 173.000 173.632 -0.632 17577 4325 1 5 . 1 1 153 153 THR CA C 153 59.800 59.800 60.571 -0.771 17577 4326 1 5 . 1 1 153 153 THR CB C 153 72.500 72.500 70.828 1.672 17577 4327 1 5 . 1 1 153 153 THR H H 153 8.490 8.490 8.175 0.315 17577 4328 1 5 . 1 1 154 154 VAL N N 154 114.900 114.900 119.149 -4.249 17577 4329 1 5 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.276 -0.156 17577 4330 1 5 . 1 1 154 154 VAL C C 154 175.500 175.500 175.048 0.452 17577 4331 1 5 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.811 0.189 17577 4332 1 5 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.813 0.287 17577 4333 1 5 . 1 1 154 154 VAL H H 154 6.920 6.920 8.023 -1.103 17577 4334 1 5 . 1 1 155 155 ASP N N 155 124.100 124.100 120.696 3.404 17577 4335 1 5 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.599 -0.109 17577 4336 1 5 . 1 1 155 155 ASP C C 155 175.800 175.800 176.868 -1.068 17577 4337 1 5 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.978 1.722 17577 4338 1 5 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.434 -0.134 17577 4339 1 5 . 1 1 155 155 ASP H H 155 8.390 8.390 8.317 0.073 17577 4340 1 5 . 1 1 156 156 GLU N N 156 121.000 121.000 120.140 0.860 17577 4341 1 5 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.270 -0.100 17577 4342 1 5 . 1 1 156 156 GLU C C 156 175.400 175.400 177.040 -1.640 17577 4343 1 5 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.151 0.349 17577 4344 1 5 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.976 1.424 17577 4345 1 5 . 1 1 156 156 GLU H H 156 8.450 8.450 8.495 -0.045 17577 4346 1 6 . 1 1 4 4 PRO C C 4 175.800 175.800 176.431 -0.631 17577 4347 1 6 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.908 0.392 17577 4348 1 6 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.199 0.801 17577 4349 1 6 . 1 1 5 5 ASP N N 5 119.400 119.400 121.376 -1.976 17577 4350 1 6 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.506 0.004 17577 4351 1 6 . 1 1 5 5 ASP C C 5 177.100 177.100 178.139 -1.039 17577 4352 1 6 . 1 1 5 5 ASP CA C 5 54.800 54.800 55.054 -0.254 17577 4353 1 6 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.318 1.082 17577 4354 1 6 . 1 1 5 5 ASP H H 5 8.090 8.090 8.484 -0.394 17577 4355 1 6 . 1 1 6 6 ARG N N 6 124.800 124.800 121.808 2.992 17577 4356 1 6 . 1 1 6 6 ARG C C 6 177.300 177.300 177.670 -0.370 17577 4357 1 6 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.195 -0.195 17577 4358 1 6 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.821 0.679 17577 4359 1 6 . 1 1 6 6 ARG H H 6 8.590 8.590 8.720 -0.130 17577 4360 1 6 . 1 1 7 7 SER N N 7 113.800 113.800 115.269 -1.469 17577 4361 1 6 . 1 1 7 7 SER CA C 7 62.400 62.400 61.375 1.025 17577 4362 1 6 . 1 1 7 7 SER CB C 7 63.800 63.800 62.452 1.349 17577 4363 1 6 . 1 1 7 7 SER H H 7 8.240 8.240 8.576 -0.336 17577 4364 1 6 . 1 1 8 8 GLU N N 8 120.200 120.200 120.522 -0.322 17577 4365 1 6 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.077 0.253 17577 4366 1 6 . 1 1 8 8 GLU C C 8 177.100 177.100 178.239 -1.139 17577 4367 1 6 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.897 -0.197 17577 4368 1 6 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.593 1.307 17577 4369 1 6 . 1 1 8 8 GLU H H 8 8.030 8.030 7.831 0.199 17577 4370 1 6 . 1 1 9 9 ILE N N 9 112.800 112.800 118.018 -5.218 17577 4371 1 6 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.803 0.547 17577 4372 1 6 . 1 1 9 9 ILE C C 9 175.000 175.000 175.295 -0.295 17577 4373 1 6 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.921 1.479 17577 4374 1 6 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.640 2.360 17577 4375 1 6 . 1 1 9 9 ILE H H 9 7.530 7.530 7.261 0.269 17577 4376 1 6 . 1 1 10 10 ALA N N 10 120.400 120.400 121.403 -1.003 17577 4377 1 6 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.608 -0.538 17577 4378 1 6 . 1 1 10 10 ALA C C 10 177.500 177.500 177.373 0.127 17577 4379 1 6 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.543 0.457 17577 4380 1 6 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.210 1.190 17577 4381 1 6 . 1 1 10 10 ALA H H 10 7.410 7.410 8.163 -0.753 17577 4382 1 6 . 1 1 11 11 GLY N N 11 108.300 108.300 111.581 -3.281 17577 4383 1 6 . 1 1 11 11 GLY C C 11 173.700 173.700 173.745 -0.045 17577 4384 1 6 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.988 0.312 17577 4385 1 6 . 1 1 11 11 GLY H H 11 8.780 8.780 8.417 0.363 17577 4386 1 6 . 1 1 12 12 LYS N N 12 122.300 122.300 121.350 0.950 17577 4387 1 6 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.976 -0.146 17577 4388 1 6 . 1 1 12 12 LYS C C 12 175.900 175.900 174.380 1.520 17577 4389 1 6 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.593 1.706 17577 4390 1 6 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.700 0.300 17577 4391 1 6 . 1 1 12 12 LYS H H 12 8.740 8.740 7.681 1.059 17577 4392 1 6 . 1 1 13 13 TRP N N 13 126.000 126.000 126.516 -0.516 17577 4393 1 6 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.182 -0.552 17577 4394 1 6 . 1 1 13 13 TRP C C 13 173.300 173.300 174.624 -1.324 17577 4395 1 6 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.963 1.737 17577 4396 1 6 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.671 3.729 17577 4397 1 6 . 1 1 13 13 TRP H H 13 9.440 9.440 9.778 -0.338 17577 4398 1 6 . 1 1 14 14 TYR N N 14 118.300 118.300 123.891 -5.591 17577 4399 1 6 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.829 0.221 17577 4400 1 6 . 1 1 14 14 TYR C C 14 175.400 175.400 174.918 0.482 17577 4401 1 6 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.393 1.407 17577 4402 1 6 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.437 1.063 17577 4403 1 6 . 1 1 14 14 TYR H H 14 9.370 9.370 8.774 0.596 17577 4404 1 6 . 1 1 15 15 VAL N N 15 124.200 124.200 126.093 -1.893 17577 4405 1 6 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.212 -0.172 17577 4406 1 6 . 1 1 15 15 VAL C C 15 175.500 175.500 175.594 -0.094 17577 4407 1 6 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.640 0.060 17577 4408 1 6 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.211 0.189 17577 4409 1 6 . 1 1 15 15 VAL H H 15 9.000 9.000 8.675 0.325 17577 4410 1 6 . 1 1 16 16 VAL N N 16 114.600 114.600 118.991 -4.391 17577 4411 1 6 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.504 0.146 17577 4412 1 6 . 1 1 16 16 VAL C C 16 175.900 175.900 173.657 2.243 17577 4413 1 6 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.037 1.163 17577 4414 1 6 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.231 0.369 17577 4415 1 6 . 1 1 16 16 VAL H H 16 8.420 8.420 8.974 -0.554 17577 4416 1 6 . 1 1 17 17 ALA N N 17 122.900 122.900 121.072 1.828 17577 4417 1 6 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.992 0.278 17577 4418 1 6 . 1 1 17 17 ALA C C 17 174.200 174.200 174.174 0.026 17577 4419 1 6 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.386 0.714 17577 4420 1 6 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.321 2.779 17577 4421 1 6 . 1 1 17 17 ALA H H 17 7.590 7.590 7.471 0.119 17577 4422 1 6 . 1 1 18 18 LEU N N 18 118.000 118.000 122.319 -4.319 17577 4423 1 6 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.234 0.206 17577 4424 1 6 . 1 1 18 18 LEU C C 18 176.100 176.100 173.900 2.200 17577 4425 1 6 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.863 0.137 17577 4426 1 6 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.400 3.400 17577 4427 1 6 . 1 1 18 18 LEU H H 18 8.570 8.570 8.010 0.560 17577 4428 1 6 . 1 1 19 19 ALA N N 19 120.300 120.300 124.352 -4.052 17577 4429 1 6 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.704 -0.274 17577 4430 1 6 . 1 1 19 19 ALA C C 19 174.400 174.400 175.965 -1.565 17577 4431 1 6 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.006 2.694 17577 4432 1 6 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.595 0.505 17577 4433 1 6 . 1 1 19 19 ALA H H 19 8.360 8.360 9.031 -0.671 17577 4434 1 6 . 1 1 20 20 SER N N 20 114.200 114.200 114.088 0.112 17577 4435 1 6 . 1 1 20 20 SER HA H 20 3.890 3.890 4.808 -0.918 17577 4436 1 6 . 1 1 20 20 SER C C 20 170.700 170.700 173.123 -2.423 17577 4437 1 6 . 1 1 20 20 SER CA C 20 57.200 57.200 57.833 -0.633 17577 4438 1 6 . 1 1 20 20 SER CB C 20 64.200 64.200 65.013 -0.813 17577 4439 1 6 . 1 1 20 20 SER H H 20 7.450 7.450 8.452 -1.002 17577 4440 1 6 . 1 1 21 21 ASN N N 21 117.500 117.500 116.853 0.647 17577 4441 1 6 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.988 0.232 17577 4442 1 6 . 1 1 21 21 ASN C C 21 176.500 176.500 174.974 1.526 17577 4443 1 6 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.657 -1.157 17577 4444 1 6 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.330 -0.030 17577 4445 1 6 . 1 1 21 21 ASN H H 21 7.980 7.980 8.599 -0.619 17577 4446 1 6 . 1 1 22 22 THR N N 22 112.100 112.100 116.304 -4.204 17577 4447 1 6 . 1 1 22 22 THR HA H 22 4.420 4.420 4.064 0.356 17577 4448 1 6 . 1 1 22 22 THR C C 22 174.800 174.800 174.516 0.284 17577 4449 1 6 . 1 1 22 22 THR CA C 22 63.200 63.200 61.174 2.026 17577 4450 1 6 . 1 1 22 22 THR CB C 22 71.800 71.800 69.099 2.701 17577 4451 1 6 . 1 1 22 22 THR H H 22 8.140 8.140 7.715 0.425 17577 4452 1 6 . 1 1 23 23 GLU N N 23 122.700 122.700 129.832 -7.132 17577 4453 1 6 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.834 0.916 17577 4454 1 6 . 1 1 23 23 GLU C C 23 178.800 178.800 177.627 1.173 17577 4455 1 6 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.225 2.075 17577 4456 1 6 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.418 0.882 17577 4457 1 6 . 1 1 23 23 GLU H H 23 8.980 8.980 8.554 0.426 17577 4458 1 6 . 1 1 24 24 PHE N N 24 118.200 118.200 117.466 0.734 17577 4459 1 6 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.183 -0.203 17577 4460 1 6 . 1 1 24 24 PHE C C 24 175.900 175.900 178.072 -2.172 17577 4461 1 6 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.041 2.859 17577 4462 1 6 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.815 2.885 17577 4463 1 6 . 1 1 24 24 PHE H H 24 8.610 8.610 6.608 2.002 17577 4464 1 6 . 1 1 25 25 PHE N N 25 119.000 119.000 119.886 -0.886 17577 4465 1 6 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.357 -0.517 17577 4466 1 6 . 1 1 25 25 PHE C C 25 176.500 176.500 177.712 -1.212 17577 4467 1 6 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.410 2.390 17577 4468 1 6 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.160 1.240 17577 4469 1 6 . 1 1 25 25 PHE H H 25 7.730 7.730 8.148 -0.418 17577 4470 1 6 . 1 1 26 26 LEU N N 26 115.900 115.900 118.701 -2.801 17577 4471 1 6 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.169 -0.439 17577 4472 1 6 . 1 1 26 26 LEU C C 26 179.200 179.200 178.728 0.472 17577 4473 1 6 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.523 0.177 17577 4474 1 6 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.143 0.857 17577 4475 1 6 . 1 1 26 26 LEU H H 26 8.380 8.380 7.667 0.713 17577 4476 1 6 . 1 1 27 27 ARG N N 27 116.900 116.900 119.157 -2.257 17577 4477 1 6 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.951 0.159 17577 4478 1 6 . 1 1 27 27 ARG C C 27 178.400 178.400 178.107 0.293 17577 4479 1 6 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.668 -0.468 17577 4480 1 6 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.124 1.976 17577 4481 1 6 . 1 1 27 27 ARG H H 27 7.720 7.720 8.120 -0.400 17577 4482 1 6 . 1 1 28 28 GLU N N 28 116.000 116.000 117.662 -1.662 17577 4483 1 6 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.239 0.121 17577 4484 1 6 . 1 1 28 28 GLU C C 28 178.200 178.200 178.777 -0.577 17577 4485 1 6 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.529 -1.829 17577 4486 1 6 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.131 0.769 17577 4487 1 6 . 1 1 28 28 GLU H H 28 7.660 7.660 7.820 -0.160 17577 4488 1 6 . 1 1 29 29 LYS N N 29 120.700 120.700 119.847 0.853 17577 4489 1 6 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.133 0.007 17577 4490 1 6 . 1 1 29 29 LYS C C 29 177.900 177.900 177.640 0.260 17577 4491 1 6 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.523 1.377 17577 4492 1 6 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.193 -0.793 17577 4493 1 6 . 1 1 29 29 LYS H H 29 7.910 7.910 8.715 -0.805 17577 4494 1 6 . 1 1 30 30 ASP N N 30 118.800 118.800 115.777 3.023 17577 4495 1 6 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.487 -0.097 17577 4496 1 6 . 1 1 30 30 ASP C C 30 177.000 177.000 177.441 -0.441 17577 4497 1 6 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.492 0.708 17577 4498 1 6 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.176 -0.576 17577 4499 1 6 . 1 1 30 30 ASP H H 30 8.390 8.390 7.811 0.579 17577 4500 1 6 . 1 1 31 31 LYS N N 31 118.000 118.000 117.336 0.664 17577 4501 1 6 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.417 -0.027 17577 4502 1 6 . 1 1 31 31 LYS C C 31 177.200 177.200 177.403 -0.203 17577 4503 1 6 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.503 0.497 17577 4504 1 6 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.779 1.421 17577 4505 1 6 . 1 1 31 31 LYS H H 31 8.110 8.110 8.211 -0.101 17577 4506 1 6 . 1 1 32 32 MET N N 32 120.300 120.300 119.232 1.068 17577 4507 1 6 . 1 1 32 32 MET HA H 32 4.520 4.520 4.554 -0.034 17577 4508 1 6 . 1 1 32 32 MET C C 32 176.200 176.200 175.275 0.925 17577 4509 1 6 . 1 1 32 32 MET CA C 32 58.000 58.000 55.965 2.035 17577 4510 1 6 . 1 1 32 32 MET CB C 32 33.500 33.500 33.263 0.237 17577 4511 1 6 . 1 1 32 32 MET H H 32 7.240 7.240 7.562 -0.322 17577 4512 1 6 . 1 1 33 33 LYS N N 33 120.200 120.200 117.195 3.005 17577 4513 1 6 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.508 0.192 17577 4514 1 6 . 1 1 33 33 LYS C C 33 173.000 173.000 176.496 -3.496 17577 4515 1 6 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.737 1.363 17577 4516 1 6 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.862 4.238 17577 4517 1 6 . 1 1 33 33 LYS H H 33 8.560 8.560 7.911 0.649 17577 4518 1 6 . 1 1 34 34 MET N N 34 118.300 118.300 120.742 -2.442 17577 4519 1 6 . 1 1 34 34 MET HA H 34 4.080 4.080 4.062 0.018 17577 4520 1 6 . 1 1 34 34 MET C C 34 173.800 173.800 175.096 -1.296 17577 4521 1 6 . 1 1 34 34 MET CA C 34 59.500 59.500 56.821 2.679 17577 4522 1 6 . 1 1 34 34 MET CB C 34 35.700 35.700 33.142 2.558 17577 4523 1 6 . 1 1 34 34 MET H H 34 8.370 8.370 7.874 0.496 17577 4524 1 6 . 1 1 35 35 ALA N N 35 126.000 126.000 127.454 -1.454 17577 4525 1 6 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.278 -0.018 17577 4526 1 6 . 1 1 35 35 ALA C C 35 176.100 176.100 175.971 0.129 17577 4527 1 6 . 1 1 35 35 ALA CA C 35 50.600 50.600 49.918 0.682 17577 4528 1 6 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.349 1.451 17577 4529 1 6 . 1 1 35 35 ALA H H 35 7.360 7.360 8.179 -0.819 17577 4530 1 6 . 1 1 36 36 MET N N 36 117.100 117.100 115.026 2.074 17577 4531 1 6 . 1 1 36 36 MET HA H 36 5.280 5.280 5.431 -0.151 17577 4532 1 6 . 1 1 36 36 MET C C 36 172.600 172.600 174.675 -2.075 17577 4533 1 6 . 1 1 36 36 MET CA C 36 56.100 56.100 52.590 3.510 17577 4534 1 6 . 1 1 36 36 MET CB C 36 39.600 39.600 36.515 3.085 17577 4535 1 6 . 1 1 36 36 MET H H 36 8.920 8.920 8.816 0.104 17577 4536 1 6 . 1 1 37 37 ALA N N 37 121.700 121.700 121.086 0.614 17577 4537 1 6 . 1 1 37 37 ALA HA H 37 5.430 5.430 5.055 0.375 17577 4538 1 6 . 1 1 37 37 ALA C C 37 175.400 175.400 174.782 0.618 17577 4539 1 6 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.782 -0.582 17577 4540 1 6 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.829 1.571 17577 4541 1 6 . 1 1 37 37 ALA H H 37 8.980 8.980 9.379 -0.399 17577 4542 1 6 . 1 1 38 38 ARG N N 38 120.400 120.400 118.956 1.444 17577 4543 1 6 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.829 0.321 17577 4544 1 6 . 1 1 38 38 ARG C C 38 174.900 174.900 173.661 1.239 17577 4545 1 6 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.055 0.145 17577 4546 1 6 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.201 1.399 17577 4547 1 6 . 1 1 38 38 ARG H H 38 9.180 9.180 7.977 1.203 17577 4548 1 6 . 1 1 39 39 ILE N N 39 126.000 126.000 123.444 2.556 17577 4549 1 6 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.939 -0.019 17577 4550 1 6 . 1 1 39 39 ILE C C 39 175.100 175.100 174.340 0.760 17577 4551 1 6 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.929 1.271 17577 4552 1 6 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.461 0.939 17577 4553 1 6 . 1 1 39 39 ILE H H 39 8.930 8.930 8.425 0.505 17577 4554 1 6 . 1 1 40 40 SER N N 40 121.700 121.700 120.679 1.021 17577 4555 1 6 . 1 1 40 40 SER HA H 40 4.630 4.630 4.617 0.013 17577 4556 1 6 . 1 1 40 40 SER CA C 40 57.900 57.900 57.105 0.795 17577 4557 1 6 . 1 1 40 40 SER CB C 40 66.300 66.300 66.259 0.041 17577 4558 1 6 . 1 1 40 40 SER H H 40 8.780 8.780 7.842 0.938 17577 4559 1 6 . 1 1 41 41 PHE N N 41 122.300 122.300 121.884 0.416 17577 4560 1 6 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.787 -0.137 17577 4561 1 6 . 1 1 41 41 PHE C C 41 175.900 175.900 176.049 -0.149 17577 4562 1 6 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.547 2.553 17577 4563 1 6 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.085 2.615 17577 4564 1 6 . 1 1 41 41 PHE H H 41 9.080 9.080 8.975 0.105 17577 4565 1 6 . 1 1 42 42 LEU N N 42 125.100 125.100 123.940 1.160 17577 4566 1 6 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.092 0.538 17577 4567 1 6 . 1 1 42 42 LEU C C 42 176.400 176.400 177.552 -1.152 17577 4568 1 6 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.443 -0.943 17577 4569 1 6 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.343 1.457 17577 4570 1 6 . 1 1 42 42 LEU H H 42 8.540 8.540 8.165 0.375 17577 4571 1 6 . 1 1 43 43 GLY N N 43 108.700 108.700 102.573 6.127 17577 4572 1 6 . 1 1 43 43 GLY C C 43 173.700 173.700 174.391 -0.691 17577 4573 1 6 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.961 0.939 17577 4574 1 6 . 1 1 43 43 GLY H H 43 8.310 8.310 7.921 0.389 17577 4575 1 6 . 1 1 44 44 GLU N N 44 120.300 120.300 120.901 -0.601 17577 4576 1 6 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.201 -0.091 17577 4577 1 6 . 1 1 44 44 GLU C C 44 177.200 177.200 176.496 0.704 17577 4578 1 6 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.902 0.698 17577 4579 1 6 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.702 1.098 17577 4580 1 6 . 1 1 44 44 GLU H H 44 8.900 8.900 8.886 0.014 17577 4581 1 6 . 1 1 45 45 ASP N N 45 115.200 115.200 114.860 0.340 17577 4582 1 6 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.912 -0.042 17577 4583 1 6 . 1 1 45 45 ASP C C 45 174.500 174.500 175.690 -1.190 17577 4584 1 6 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.728 1.072 17577 4585 1 6 . 1 1 45 45 ASP CB C 45 42.700 42.700 41.306 1.393 17577 4586 1 6 . 1 1 45 45 ASP H H 45 8.500 8.500 8.197 0.303 17577 4587 1 6 . 1 1 46 46 GLU N N 46 117.800 117.800 120.444 -2.644 17577 4588 1 6 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.691 0.879 17577 4589 1 6 . 1 1 46 46 GLU C C 46 174.800 174.800 174.187 0.613 17577 4590 1 6 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.922 0.378 17577 4591 1 6 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.894 2.106 17577 4592 1 6 . 1 1 46 46 GLU H H 46 7.450 7.450 8.477 -1.027 17577 4593 1 6 . 1 1 47 47 LEU N N 47 124.200 124.200 126.027 -1.827 17577 4594 1 6 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.055 -0.175 17577 4595 1 6 . 1 1 47 47 LEU C C 47 173.900 173.900 174.470 -0.570 17577 4596 1 6 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.288 2.012 17577 4597 1 6 . 1 1 47 47 LEU CB C 47 46.100 46.100 46.866 -0.766 17577 4598 1 6 . 1 1 47 47 LEU H H 47 9.160 9.160 9.446 -0.286 17577 4599 1 6 . 1 1 48 48 LYS N N 48 123.800 123.800 124.903 -1.103 17577 4600 1 6 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.663 0.287 17577 4601 1 6 . 1 1 48 48 LYS C C 48 174.300 174.300 174.362 -0.062 17577 4602 1 6 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.484 0.516 17577 4603 1 6 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.156 1.644 17577 4604 1 6 . 1 1 48 48 LYS H H 48 9.020 9.020 8.469 0.551 17577 4605 1 6 . 1 1 49 49 VAL N N 49 126.600 126.600 126.226 0.374 17577 4606 1 6 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.888 -0.278 17577 4607 1 6 . 1 1 49 49 VAL C C 49 173.800 173.800 173.968 -0.168 17577 4608 1 6 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.621 1.679 17577 4609 1 6 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.433 -0.133 17577 4610 1 6 . 1 1 49 49 VAL H H 49 8.920 8.920 8.848 0.072 17577 4611 1 6 . 1 1 50 50 SER N N 50 120.900 120.900 119.488 1.412 17577 4612 1 6 . 1 1 50 50 SER HA H 50 4.860 4.860 4.169 0.691 17577 4613 1 6 . 1 1 50 50 SER CA C 50 57.300 57.300 55.940 1.360 17577 4614 1 6 . 1 1 50 50 SER CB C 50 65.100 65.100 65.187 -0.087 17577 4615 1 6 . 1 1 50 50 SER H H 50 8.360 8.360 8.165 0.195 17577 4616 1 6 . 1 1 51 51 TYR N N 51 122.000 122.000 122.798 -0.798 17577 4617 1 6 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.108 -0.258 17577 4618 1 6 . 1 1 51 51 TYR C C 51 176.800 176.800 174.074 2.726 17577 4619 1 6 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.613 2.587 17577 4620 1 6 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.449 1.151 17577 4621 1 6 . 1 1 51 51 TYR H H 51 8.990 8.990 7.724 1.266 17577 4622 1 6 . 1 1 52 52 ALA N N 52 124.000 124.000 124.937 -0.937 17577 4623 1 6 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.924 -0.054 17577 4624 1 6 . 1 1 52 52 ALA C C 52 174.800 174.800 175.301 -0.501 17577 4625 1 6 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.926 2.074 17577 4626 1 6 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.566 0.234 17577 4627 1 6 . 1 1 52 52 ALA H H 52 8.640 8.640 9.468 -0.828 17577 4628 1 6 . 1 1 53 53 VAL N N 53 124.300 124.300 124.022 0.278 17577 4629 1 6 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.575 0.195 17577 4630 1 6 . 1 1 53 53 VAL C C 53 174.200 174.200 173.707 0.493 17577 4631 1 6 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.829 0.471 17577 4632 1 6 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.068 2.432 17577 4633 1 6 . 1 1 53 53 VAL H H 53 9.120 9.120 8.424 0.696 17577 4634 1 6 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.604 0.096 17577 4635 1 6 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.553 3.147 17577 4636 1 6 . 1 1 54 54 PRO CB C 54 32.900 32.900 29.919 2.981 17577 4637 1 6 . 1 1 55 55 LYS N N 55 121.100 121.100 122.118 -1.018 17577 4638 1 6 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.210 0.720 17577 4639 1 6 . 1 1 55 55 LYS CA C 55 54.600 54.600 55.786 -1.187 17577 4640 1 6 . 1 1 55 55 LYS CB C 55 33.400 33.400 32.349 1.050 17577 4641 1 6 . 1 1 55 55 LYS H H 55 8.040 8.040 7.460 0.580 17577 4642 1 6 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.580 -0.300 17577 4643 1 6 . 1 1 56 56 PRO C C 56 177.200 177.200 176.645 0.555 17577 4644 1 6 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.299 1.101 17577 4645 1 6 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.685 0.615 17577 4646 1 6 . 1 1 57 57 ASN N N 57 114.200 114.200 114.675 -0.475 17577 4647 1 6 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.693 0.027 17577 4648 1 6 . 1 1 57 57 ASN C C 57 174.900 174.900 175.353 -0.453 17577 4649 1 6 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.332 0.668 17577 4650 1 6 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.795 0.505 17577 4651 1 6 . 1 1 57 57 ASN H H 57 8.370 8.370 8.194 0.176 17577 4652 1 6 . 1 1 58 58 GLY N N 58 106.500 106.500 106.829 -0.329 17577 4653 1 6 . 1 1 58 58 GLY C C 58 172.000 172.000 172.584 -0.584 17577 4654 1 6 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.496 1.504 17577 4655 1 6 . 1 1 58 58 GLY H H 58 7.810 7.810 8.162 -0.352 17577 4656 1 6 . 1 1 60 60 ARG N N 60 132.300 132.300 128.092 4.208 17577 4657 1 6 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.512 0.068 17577 4658 1 6 . 1 1 60 60 ARG C C 60 174.000 174.000 174.729 -0.729 17577 4659 1 6 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.519 0.981 17577 4660 1 6 . 1 1 60 60 ARG CB C 60 32.400 32.400 31.030 1.369 17577 4661 1 6 . 1 1 60 60 ARG H H 60 9.120 9.120 8.273 0.847 17577 4662 1 6 . 1 1 61 61 LYS N N 61 126.200 126.200 125.452 0.748 17577 4663 1 6 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.050 0.470 17577 4664 1 6 . 1 1 61 61 LYS C C 61 175.900 175.900 175.196 0.704 17577 4665 1 6 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.115 0.985 17577 4666 1 6 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.453 0.647 17577 4667 1 6 . 1 1 61 61 LYS H H 61 8.500 8.500 8.474 0.026 17577 4668 1 6 . 1 1 62 62 TRP N N 62 121.900 121.900 125.471 -3.571 17577 4669 1 6 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.954 -0.094 17577 4670 1 6 . 1 1 62 62 TRP C C 62 171.900 171.900 173.455 -1.555 17577 4671 1 6 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.358 1.342 17577 4672 1 6 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.706 0.594 17577 4673 1 6 . 1 1 62 62 TRP H H 62 8.070 8.070 8.881 -0.811 17577 4674 1 6 . 1 1 63 63 GLU N N 63 117.100 117.100 119.526 -2.426 17577 4675 1 6 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.047 1.563 17577 4676 1 6 . 1 1 63 63 GLU C C 63 175.500 175.500 174.275 1.225 17577 4677 1 6 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.122 1.078 17577 4678 1 6 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.491 2.609 17577 4679 1 6 . 1 1 63 63 GLU H H 63 8.450 8.450 7.952 0.498 17577 4680 1 6 . 1 1 64 64 THR N N 64 117.400 117.400 116.300 1.100 17577 4681 1 6 . 1 1 64 64 THR HA H 64 4.600 4.600 4.093 0.507 17577 4682 1 6 . 1 1 64 64 THR C C 64 171.800 171.800 172.825 -1.025 17577 4683 1 6 . 1 1 64 64 THR CA C 64 63.000 63.000 60.864 2.136 17577 4684 1 6 . 1 1 64 64 THR CB C 64 72.700 72.700 72.314 0.386 17577 4685 1 6 . 1 1 64 64 THR H H 64 8.980 8.980 8.280 0.700 17577 4686 1 6 . 1 1 65 65 THR N N 65 119.100 119.100 121.277 -2.177 17577 4687 1 6 . 1 1 65 65 THR HA H 65 5.260 5.260 4.748 0.512 17577 4688 1 6 . 1 1 65 65 THR C C 65 173.700 173.700 172.972 0.728 17577 4689 1 6 . 1 1 65 65 THR CA C 65 62.300 62.300 62.566 -0.266 17577 4690 1 6 . 1 1 65 65 THR CB C 65 71.100 71.100 69.565 1.535 17577 4691 1 6 . 1 1 65 65 THR H H 65 8.380 8.380 8.379 0.001 17577 4692 1 6 . 1 1 66 66 PHE N N 66 123.400 123.400 125.850 -2.450 17577 4693 1 6 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.634 0.196 17577 4694 1 6 . 1 1 66 66 PHE C C 66 174.200 174.200 173.865 0.335 17577 4695 1 6 . 1 1 66 66 PHE CA C 66 58.100 58.100 57.105 0.995 17577 4696 1 6 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.381 3.219 17577 4697 1 6 . 1 1 66 66 PHE H H 66 9.590 9.590 9.606 -0.016 17577 4698 1 6 . 1 1 67 67 LYS N N 67 119.700 119.700 121.785 -2.085 17577 4699 1 6 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.911 0.609 17577 4700 1 6 . 1 1 67 67 LYS C C 67 176.500 176.500 175.731 0.769 17577 4701 1 6 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.439 1.061 17577 4702 1 6 . 1 1 67 67 LYS CB C 67 37.300 37.300 35.812 1.488 17577 4703 1 6 . 1 1 67 67 LYS H H 67 8.880 8.880 8.814 0.066 17577 4704 1 6 . 1 1 68 68 LYS N N 68 129.100 129.100 125.187 3.913 17577 4705 1 6 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.157 0.723 17577 4706 1 6 . 1 1 68 68 LYS C C 68 177.400 177.400 176.465 0.935 17577 4707 1 6 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.418 1.282 17577 4708 1 6 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.743 2.557 17577 4709 1 6 . 1 1 68 68 LYS H H 68 8.850 8.850 8.624 0.226 17577 4710 1 6 . 1 1 69 69 THR N N 69 118.500 118.500 120.094 -1.594 17577 4711 1 6 . 1 1 69 69 THR HA H 69 4.710 4.710 4.691 0.019 17577 4712 1 6 . 1 1 69 69 THR C C 69 174.600 174.600 173.899 0.701 17577 4713 1 6 . 1 1 69 69 THR CA C 69 61.900 61.900 60.248 1.651 17577 4714 1 6 . 1 1 69 69 THR CB C 69 70.800 70.800 70.382 0.418 17577 4715 1 6 . 1 1 69 69 THR H H 69 8.720 8.720 8.356 0.364 17577 4716 1 6 . 1 1 70 70 SER N N 70 111.800 111.800 117.486 -5.686 17577 4717 1 6 . 1 1 70 70 SER HA H 70 4.420 4.420 4.621 -0.201 17577 4718 1 6 . 1 1 70 70 SER C C 70 174.500 174.500 175.702 -1.202 17577 4719 1 6 . 1 1 70 70 SER CA C 70 59.300 59.300 57.301 1.999 17577 4720 1 6 . 1 1 70 70 SER CB C 70 64.400 64.400 63.372 1.028 17577 4721 1 6 . 1 1 70 70 SER H H 70 8.350 8.350 8.570 -0.220 17577 4722 1 6 . 1 1 71 71 ASP N N 71 121.100 121.100 121.924 -0.824 17577 4723 1 6 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.259 0.121 17577 4724 1 6 . 1 1 71 71 ASP C C 71 175.600 175.600 175.879 -0.279 17577 4725 1 6 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.600 -0.500 17577 4726 1 6 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.130 1.870 17577 4727 1 6 . 1 1 71 71 ASP H H 71 7.960 7.960 7.629 0.331 17577 4728 1 6 . 1 1 72 72 ASP N N 72 121.000 121.000 117.932 3.068 17577 4729 1 6 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.584 -0.134 17577 4730 1 6 . 1 1 72 72 ASP C C 72 175.900 175.900 175.793 0.107 17577 4731 1 6 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.170 1.930 17577 4732 1 6 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.641 1.459 17577 4733 1 6 . 1 1 72 72 ASP H H 72 8.500 8.500 7.824 0.676 17577 4734 1 6 . 1 1 73 73 GLY N N 73 109.100 109.100 113.347 -4.247 17577 4735 1 6 . 1 1 73 73 GLY C C 73 172.800 172.800 174.182 -1.382 17577 4736 1 6 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.428 0.072 17577 4737 1 6 . 1 1 73 73 GLY H H 73 8.200 8.200 8.238 -0.038 17577 4738 1 6 . 1 1 74 74 GLU N N 74 123.300 123.300 125.596 -2.296 17577 4739 1 6 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.517 0.253 17577 4740 1 6 . 1 1 74 74 GLU C C 74 173.600 173.600 174.383 -0.783 17577 4741 1 6 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.810 -0.410 17577 4742 1 6 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.346 0.254 17577 4743 1 6 . 1 1 74 74 GLU H H 74 8.780 8.780 8.299 0.481 17577 4744 1 6 . 1 1 75 75 VAL N N 75 123.500 123.500 122.287 1.213 17577 4745 1 6 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.375 0.665 17577 4746 1 6 . 1 1 75 75 VAL C C 75 174.100 174.100 173.785 0.315 17577 4747 1 6 . 1 1 75 75 VAL CA C 75 62.500 62.500 61.053 1.446 17577 4748 1 6 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.794 -1.794 17577 4749 1 6 . 1 1 75 75 VAL H H 75 7.870 7.870 7.613 0.257 17577 4750 1 6 . 1 1 76 76 TYR N N 76 125.000 125.000 121.957 3.043 17577 4751 1 6 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.360 -0.120 17577 4752 1 6 . 1 1 76 76 TYR C C 76 174.300 174.300 175.295 -0.995 17577 4753 1 6 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.167 1.633 17577 4754 1 6 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.457 2.243 17577 4755 1 6 . 1 1 76 76 TYR H H 76 9.360 9.360 8.440 0.920 17577 4756 1 6 . 1 1 77 77 TYR N N 77 120.500 120.500 118.348 2.152 17577 4757 1 6 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.601 0.279 17577 4758 1 6 . 1 1 77 77 TYR C C 77 174.600 174.600 173.624 0.976 17577 4759 1 6 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.417 1.583 17577 4760 1 6 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.866 2.734 17577 4761 1 6 . 1 1 77 77 TYR H H 77 9.480 9.480 9.283 0.197 17577 4762 1 6 . 1 1 78 78 SER N N 78 125.100 125.100 118.573 6.527 17577 4763 1 6 . 1 1 78 78 SER HA H 78 4.830 4.830 4.293 0.537 17577 4764 1 6 . 1 1 78 78 SER C C 78 174.300 174.300 174.780 -0.480 17577 4765 1 6 . 1 1 78 78 SER CA C 78 55.600 55.600 55.441 0.159 17577 4766 1 6 . 1 1 78 78 SER CB C 78 64.400 64.400 62.549 1.851 17577 4767 1 6 . 1 1 78 78 SER H H 78 8.570 8.570 8.324 0.246 17577 4768 1 6 . 1 1 79 79 GLU N N 79 130.000 130.000 128.696 1.304 17577 4769 1 6 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.140 -0.160 17577 4770 1 6 . 1 1 79 79 GLU C C 79 178.600 178.600 177.782 0.818 17577 4771 1 6 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.385 0.715 17577 4772 1 6 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.508 0.992 17577 4773 1 6 . 1 1 79 79 GLU H H 79 8.670 8.670 8.464 0.206 17577 4774 1 6 . 1 1 80 80 GLU N N 80 118.900 118.900 116.971 1.929 17577 4775 1 6 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.218 -0.218 17577 4776 1 6 . 1 1 80 80 GLU C C 80 177.700 177.700 176.980 0.720 17577 4777 1 6 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.018 1.982 17577 4778 1 6 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.367 1.133 17577 4779 1 6 . 1 1 80 80 GLU H H 80 8.560 8.560 8.420 0.140 17577 4780 1 6 . 1 1 81 81 ALA N N 81 117.600 117.600 120.663 -3.063 17577 4781 1 6 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.512 -0.122 17577 4782 1 6 . 1 1 81 81 ALA C C 81 176.000 176.000 177.145 -1.145 17577 4783 1 6 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.308 1.092 17577 4784 1 6 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.666 0.934 17577 4785 1 6 . 1 1 81 81 ALA H H 81 7.410 7.410 7.159 0.251 17577 4786 1 6 . 1 1 82 82 LYS N N 82 118.300 118.300 117.008 1.292 17577 4787 1 6 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.972 -0.102 17577 4788 1 6 . 1 1 82 82 LYS C C 82 175.100 175.100 174.667 0.433 17577 4789 1 6 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.381 -0.181 17577 4790 1 6 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.737 0.563 17577 4791 1 6 . 1 1 82 82 LYS H H 82 7.830 7.830 7.719 0.111 17577 4792 1 6 . 1 1 83 83 LYS N N 83 118.400 118.400 119.586 -1.186 17577 4793 1 6 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.186 0.254 17577 4794 1 6 . 1 1 83 83 LYS C C 83 172.400 172.400 174.464 -2.064 17577 4795 1 6 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.274 0.226 17577 4796 1 6 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.397 2.703 17577 4797 1 6 . 1 1 83 83 LYS H H 83 7.150 7.150 7.503 -0.353 17577 4798 1 6 . 1 1 84 84 LYS N N 84 130.000 130.000 127.974 2.026 17577 4799 1 6 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.516 0.164 17577 4800 1 6 . 1 1 84 84 LYS C C 84 174.900 174.900 174.263 0.637 17577 4801 1 6 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.948 0.752 17577 4802 1 6 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.961 1.039 17577 4803 1 6 . 1 1 84 84 LYS H H 84 9.540 9.540 9.187 0.353 17577 4804 1 6 . 1 1 85 85 VAL N N 85 121.100 121.100 123.310 -2.210 17577 4805 1 6 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.373 -0.393 17577 4806 1 6 . 1 1 85 85 VAL C C 85 173.000 173.000 174.077 -1.077 17577 4807 1 6 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.432 1.968 17577 4808 1 6 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.835 1.865 17577 4809 1 6 . 1 1 85 85 VAL H H 85 9.510 9.510 8.639 0.871 17577 4810 1 6 . 1 1 86 86 GLU N N 86 123.700 123.700 126.169 -2.469 17577 4811 1 6 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.884 0.436 17577 4812 1 6 . 1 1 86 86 GLU C C 86 175.800 175.800 175.104 0.696 17577 4813 1 6 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.840 0.860 17577 4814 1 6 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.847 1.353 17577 4815 1 6 . 1 1 86 86 GLU H H 86 8.830 8.830 8.322 0.508 17577 4816 1 6 . 1 1 87 87 VAL N N 87 125.400 125.400 124.841 0.559 17577 4817 1 6 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.063 0.107 17577 4818 1 6 . 1 1 87 87 VAL C C 87 176.000 176.000 174.734 1.266 17577 4819 1 6 . 1 1 87 87 VAL CA C 87 63.500 63.500 64.022 -0.522 17577 4820 1 6 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.366 0.634 17577 4821 1 6 . 1 1 87 87 VAL H H 87 8.760 8.760 9.148 -0.388 17577 4822 1 6 . 1 1 88 88 LEU N N 88 128.000 128.000 129.836 -1.836 17577 4823 1 6 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.603 -0.213 17577 4824 1 6 . 1 1 88 88 LEU C C 88 177.200 177.200 176.584 0.616 17577 4825 1 6 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.398 1.602 17577 4826 1 6 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.915 1.285 17577 4827 1 6 . 1 1 88 88 LEU H H 88 8.990 8.990 8.526 0.464 17577 4828 1 6 . 1 1 89 89 ASP N N 89 113.900 113.900 116.782 -2.882 17577 4829 1 6 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.752 0.028 17577 4830 1 6 . 1 1 89 89 ASP C C 89 173.900 173.900 174.031 -0.131 17577 4831 1 6 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.823 1.077 17577 4832 1 6 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.079 2.521 17577 4833 1 6 . 1 1 89 89 ASP H H 89 7.140 7.140 7.777 -0.637 17577 4834 1 6 . 1 1 90 90 THR N N 90 119.500 119.500 119.259 0.241 17577 4835 1 6 . 1 1 90 90 THR HA H 90 3.800 3.800 4.583 -0.783 17577 4836 1 6 . 1 1 90 90 THR C C 90 169.800 169.800 173.138 -3.338 17577 4837 1 6 . 1 1 90 90 THR CA C 90 61.500 61.500 61.804 -0.304 17577 4838 1 6 . 1 1 90 90 THR CB C 90 69.200 69.200 70.746 -1.546 17577 4839 1 6 . 1 1 90 90 THR H H 90 8.070 8.070 8.313 -0.243 17577 4840 1 6 . 1 1 91 91 ASP N N 91 122.400 122.400 128.570 -6.170 17577 4841 1 6 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.563 0.287 17577 4842 1 6 . 1 1 91 91 ASP C C 91 176.800 176.800 176.912 -0.112 17577 4843 1 6 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.753 0.147 17577 4844 1 6 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.161 0.739 17577 4845 1 6 . 1 1 91 91 ASP H H 91 6.790 6.790 8.816 -2.026 17577 4846 1 6 . 1 1 92 92 TYR N N 92 115.100 115.100 115.756 -0.656 17577 4847 1 6 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.938 -0.428 17577 4848 1 6 . 1 1 92 92 TYR C C 92 173.900 173.900 174.364 -0.464 17577 4849 1 6 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.510 2.790 17577 4850 1 6 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.631 -0.031 17577 4851 1 6 . 1 1 92 92 TYR H H 92 9.420 9.420 8.510 0.910 17577 4852 1 6 . 1 1 93 93 LYS N N 93 112.300 112.300 116.005 -3.705 17577 4853 1 6 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.248 0.422 17577 4854 1 6 . 1 1 93 93 LYS C C 93 175.600 175.600 175.485 0.115 17577 4855 1 6 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.790 2.710 17577 4856 1 6 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.231 4.569 17577 4857 1 6 . 1 1 93 93 LYS H H 93 8.080 8.080 8.177 -0.097 17577 4858 1 6 . 1 1 94 94 SER N N 94 120.300 120.300 112.260 8.040 17577 4859 1 6 . 1 1 94 94 SER HA H 94 4.820 4.820 4.556 0.264 17577 4860 1 6 . 1 1 94 94 SER CA C 94 61.200 61.200 59.473 1.727 17577 4861 1 6 . 1 1 94 94 SER CB C 94 68.800 68.800 65.303 3.497 17577 4862 1 6 . 1 1 94 94 SER H H 94 11.420 11.420 7.704 3.716 17577 4863 1 6 . 1 1 95 95 TYR N N 95 122.700 122.700 114.855 7.845 17577 4864 1 6 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.168 0.982 17577 4865 1 6 . 1 1 95 95 TYR C C 95 173.500 173.500 173.506 -0.006 17577 4866 1 6 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.043 2.557 17577 4867 1 6 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.030 1.570 17577 4868 1 6 . 1 1 95 95 TYR H H 95 8.490 8.490 7.074 1.416 17577 4869 1 6 . 1 1 96 96 ALA N N 96 120.900 120.900 121.532 -0.632 17577 4870 1 6 . 1 1 96 96 ALA HA H 96 4.550 4.550 5.213 -0.663 17577 4871 1 6 . 1 1 96 96 ALA C C 96 174.700 174.700 174.999 -0.299 17577 4872 1 6 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.778 1.722 17577 4873 1 6 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.611 1.089 17577 4874 1 6 . 1 1 96 96 ALA H H 96 9.010 9.010 8.694 0.316 17577 4875 1 6 . 1 1 97 97 VAL N N 97 121.700 121.700 122.906 -1.206 17577 4876 1 6 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.156 -0.136 17577 4877 1 6 . 1 1 97 97 VAL C C 97 174.300 174.300 174.601 -0.301 17577 4878 1 6 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.149 2.051 17577 4879 1 6 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.121 0.479 17577 4880 1 6 . 1 1 97 97 VAL H H 97 9.310 9.310 8.955 0.355 17577 4881 1 6 . 1 1 98 98 ILE N N 98 129.600 129.600 123.896 5.704 17577 4882 1 6 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.702 0.348 17577 4883 1 6 . 1 1 98 98 ILE C C 98 174.000 174.000 174.194 -0.194 17577 4884 1 6 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.737 -0.537 17577 4885 1 6 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.478 0.222 17577 4886 1 6 . 1 1 98 98 ILE H H 98 9.550 9.550 8.327 1.223 17577 4887 1 6 . 1 1 99 99 TYR N N 99 128.100 128.100 126.519 1.581 17577 4888 1 6 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.797 0.463 17577 4889 1 6 . 1 1 99 99 TYR C C 99 173.700 173.700 174.175 -0.475 17577 4890 1 6 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.267 0.433 17577 4891 1 6 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.680 2.520 17577 4892 1 6 . 1 1 99 99 TYR H H 99 9.550 9.550 8.131 1.419 17577 4893 1 6 . 1 1 100 100 ALA N N 100 134.400 134.400 131.118 3.282 17577 4894 1 6 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.626 0.094 17577 4895 1 6 . 1 1 100 100 ALA C C 100 175.500 175.500 175.814 -0.314 17577 4896 1 6 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.885 1.516 17577 4897 1 6 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.896 3.004 17577 4898 1 6 . 1 1 100 100 ALA H H 100 9.610 9.610 8.484 1.126 17577 4899 1 6 . 1 1 101 101 THR N N 101 116.200 116.200 117.285 -1.085 17577 4900 1 6 . 1 1 101 101 THR HA H 101 5.450 5.450 4.875 0.575 17577 4901 1 6 . 1 1 101 101 THR C C 101 173.600 173.600 172.880 0.720 17577 4902 1 6 . 1 1 101 101 THR CA C 101 62.000 62.000 61.360 0.640 17577 4903 1 6 . 1 1 101 101 THR CB C 101 73.100 73.100 71.363 1.737 17577 4904 1 6 . 1 1 101 101 THR H H 101 9.430 9.430 8.854 0.576 17577 4905 1 6 . 1 1 102 102 ARG N N 102 125.700 125.700 129.164 -3.464 17577 4906 1 6 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.256 -0.046 17577 4907 1 6 . 1 1 102 102 ARG C C 102 173.900 173.900 173.977 -0.077 17577 4908 1 6 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.730 0.770 17577 4909 1 6 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.279 2.821 17577 4910 1 6 . 1 1 102 102 ARG H H 102 8.970 8.970 8.246 0.724 17577 4911 1 6 . 1 1 103 103 VAL N N 103 122.100 122.100 125.724 -3.624 17577 4912 1 6 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.558 0.212 17577 4913 1 6 . 1 1 103 103 VAL C C 103 175.700 175.700 174.297 1.403 17577 4914 1 6 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.492 1.908 17577 4915 1 6 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.296 -0.896 17577 4916 1 6 . 1 1 103 103 VAL H H 103 7.870 7.870 8.151 -0.281 17577 4917 1 6 . 1 1 104 104 LYS N N 104 130.100 130.100 128.445 1.655 17577 4918 1 6 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.667 -0.207 17577 4919 1 6 . 1 1 104 104 LYS C C 104 175.400 175.400 175.556 -0.156 17577 4920 1 6 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.124 1.876 17577 4921 1 6 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.136 1.264 17577 4922 1 6 . 1 1 104 104 LYS H H 104 8.980 8.980 8.790 0.190 17577 4923 1 6 . 1 1 106 106 GLY N N 106 136.200 136.200 111.718 24.482 17577 4924 1 6 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.015 1.385 17577 4925 1 6 . 1 1 106 106 GLY H H 106 8.330 8.330 8.504 -0.174 17577 4926 1 6 . 1 1 107 107 ARG N N 107 121.300 121.300 120.763 0.537 17577 4927 1 6 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.690 -0.020 17577 4928 1 6 . 1 1 107 107 ARG C C 107 174.500 174.500 174.750 -0.250 17577 4929 1 6 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.660 0.740 17577 4930 1 6 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.167 0.033 17577 4931 1 6 . 1 1 107 107 ARG H H 107 7.880 7.880 8.007 -0.127 17577 4932 1 6 . 1 1 108 108 THR N N 108 118.800 118.800 117.531 1.269 17577 4933 1 6 . 1 1 108 108 THR HA H 108 4.490 4.490 4.545 -0.055 17577 4934 1 6 . 1 1 108 108 THR C C 108 173.400 173.400 173.356 0.044 17577 4935 1 6 . 1 1 108 108 THR CA C 108 64.100 64.100 61.498 2.602 17577 4936 1 6 . 1 1 108 108 THR CB C 108 69.800 69.800 70.719 -0.919 17577 4937 1 6 . 1 1 108 108 THR H H 108 8.650 8.650 8.338 0.312 17577 4938 1 6 . 1 1 109 109 LEU N N 109 128.900 128.900 124.603 4.297 17577 4939 1 6 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.560 0.170 17577 4940 1 6 . 1 1 109 109 LEU C C 109 175.700 175.700 174.205 1.495 17577 4941 1 6 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.783 0.517 17577 4942 1 6 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.023 0.477 17577 4943 1 6 . 1 1 109 109 LEU H H 109 9.220 9.220 8.361 0.859 17577 4944 1 6 . 1 1 110 110 HIS N N 110 116.200 116.200 119.326 -3.126 17577 4945 1 6 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.286 0.754 17577 4946 1 6 . 1 1 110 110 HIS C C 110 175.300 175.300 173.424 1.876 17577 4947 1 6 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.976 1.324 17577 4948 1 6 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.605 1.895 17577 4949 1 6 . 1 1 110 110 HIS H H 110 8.490 8.490 7.737 0.753 17577 4950 1 6 . 1 1 111 111 MET N N 111 123.400 123.400 115.890 7.510 17577 4951 1 6 . 1 1 111 111 MET HA H 111 4.550 4.550 4.890 -0.340 17577 4952 1 6 . 1 1 111 111 MET C C 111 174.000 174.000 173.964 0.036 17577 4953 1 6 . 1 1 111 111 MET CA C 111 56.600 56.600 54.444 2.156 17577 4954 1 6 . 1 1 111 111 MET CB C 111 37.800 37.800 36.907 0.893 17577 4955 1 6 . 1 1 111 111 MET H H 111 9.090 9.090 8.835 0.255 17577 4956 1 6 . 1 1 112 112 MET N N 112 122.900 122.900 118.609 4.291 17577 4957 1 6 . 1 1 112 112 MET HA H 112 5.670 5.670 4.923 0.747 17577 4958 1 6 . 1 1 112 112 MET C C 112 175.400 175.400 175.743 -0.343 17577 4959 1 6 . 1 1 112 112 MET CA C 112 55.100 55.100 53.899 1.201 17577 4960 1 6 . 1 1 112 112 MET CB C 112 37.200 37.200 34.116 3.084 17577 4961 1 6 . 1 1 112 112 MET H H 112 9.120 9.120 8.714 0.406 17577 4962 1 6 . 1 1 113 113 ARG N N 113 119.500 119.500 124.461 -4.961 17577 4963 1 6 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.805 0.245 17577 4964 1 6 . 1 1 113 113 ARG C C 113 173.800 173.800 173.380 0.420 17577 4965 1 6 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.861 1.139 17577 4966 1 6 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.205 4.395 17577 4967 1 6 . 1 1 113 113 ARG H H 113 9.390 9.390 8.564 0.826 17577 4968 1 6 . 1 1 114 114 LEU N N 114 124.400 124.400 128.728 -4.328 17577 4969 1 6 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.502 -0.472 17577 4970 1 6 . 1 1 114 114 LEU C C 114 174.200 174.200 174.342 -0.142 17577 4971 1 6 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.199 0.901 17577 4972 1 6 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.490 -1.590 17577 4973 1 6 . 1 1 114 114 LEU H H 114 8.020 8.020 9.212 -1.192 17577 4974 1 6 . 1 1 115 115 TYR N N 115 126.000 126.000 127.961 -1.961 17577 4975 1 6 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.703 0.097 17577 4976 1 6 . 1 1 115 115 TYR C C 115 176.500 176.500 173.374 3.126 17577 4977 1 6 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.849 3.151 17577 4978 1 6 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.389 0.511 17577 4979 1 6 . 1 1 115 115 TYR H H 115 9.540 9.540 8.869 0.671 17577 4980 1 6 . 1 1 116 116 SER N N 116 113.200 113.200 115.776 -2.576 17577 4981 1 6 . 1 1 116 116 SER HA H 116 5.840 5.840 4.601 1.239 17577 4982 1 6 . 1 1 116 116 SER C C 116 175.400 175.400 174.119 1.281 17577 4983 1 6 . 1 1 116 116 SER CA C 116 56.600 56.600 55.113 1.487 17577 4984 1 6 . 1 1 116 116 SER CB C 116 67.700 67.700 65.838 1.862 17577 4985 1 6 . 1 1 116 116 SER H H 116 9.930 9.930 8.846 1.084 17577 4986 1 6 . 1 1 117 117 ARG N N 117 130.500 130.500 125.789 4.711 17577 4987 1 6 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.071 -0.391 17577 4988 1 6 . 1 1 117 117 ARG C C 117 175.400 175.400 176.458 -1.058 17577 4989 1 6 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.379 1.921 17577 4990 1 6 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.850 1.650 17577 4991 1 6 . 1 1 117 117 ARG H H 117 8.350 8.350 8.198 0.152 17577 4992 1 6 . 1 1 118 118 SER N N 118 111.300 111.300 113.164 -1.864 17577 4993 1 6 . 1 1 118 118 SER HA H 118 4.990 4.990 4.741 0.249 17577 4994 1 6 . 1 1 118 118 SER C C 118 173.400 173.400 172.554 0.846 17577 4995 1 6 . 1 1 118 118 SER CA C 118 54.800 54.800 54.979 -0.179 17577 4996 1 6 . 1 1 118 118 SER CB C 118 65.800 65.800 64.645 1.155 17577 4997 1 6 . 1 1 118 118 SER H H 118 7.980 7.980 7.432 0.548 17577 4998 1 6 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.949 0.022 17577 4999 1 6 . 1 1 119 119 PRO C C 119 175.500 175.500 176.113 -0.613 17577 5000 1 6 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.247 0.853 17577 5001 1 6 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.888 0.312 17577 5002 1 6 . 1 1 120 120 GLU N N 120 117.500 117.500 115.975 1.525 17577 5003 1 6 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.350 -0.090 17577 5004 1 6 . 1 1 120 120 GLU C C 120 174.500 174.500 175.717 -1.217 17577 5005 1 6 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.499 0.301 17577 5006 1 6 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.859 -1.159 17577 5007 1 6 . 1 1 120 120 GLU H H 120 7.410 7.410 7.454 -0.044 17577 5008 1 6 . 1 1 121 121 VAL N N 121 124.900 124.900 120.968 3.932 17577 5009 1 6 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.203 -0.063 17577 5010 1 6 . 1 1 121 121 VAL C C 121 174.400 174.400 175.694 -1.294 17577 5011 1 6 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.117 0.583 17577 5012 1 6 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.152 1.948 17577 5013 1 6 . 1 1 121 121 VAL H H 121 7.900 7.900 8.439 -0.539 17577 5014 1 6 . 1 1 122 122 SER N N 122 124.500 124.500 124.939 -0.439 17577 5015 1 6 . 1 1 122 122 SER HA H 122 4.750 4.750 4.802 -0.052 17577 5016 1 6 . 1 1 122 122 SER CA C 122 57.300 57.300 56.516 0.784 17577 5017 1 6 . 1 1 122 122 SER CB C 122 64.500 64.500 64.108 0.393 17577 5018 1 6 . 1 1 122 122 SER H H 122 8.680 8.680 8.480 0.200 17577 5019 1 6 . 1 1 123 123 PRO C C 123 175.600 175.600 178.086 -2.486 17577 5020 1 6 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.885 1.014 17577 5021 1 6 . 1 1 124 124 ALA N N 124 120.100 120.100 120.622 -0.522 17577 5022 1 6 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.091 -0.021 17577 5023 1 6 . 1 1 124 124 ALA C C 124 179.900 179.900 179.187 0.713 17577 5024 1 6 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.713 1.087 17577 5025 1 6 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.916 1.184 17577 5026 1 6 . 1 1 124 124 ALA H H 124 8.030 8.030 8.382 -0.352 17577 5027 1 6 . 1 1 125 125 ALA N N 125 121.100 121.100 120.299 0.801 17577 5028 1 6 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.160 0.270 17577 5029 1 6 . 1 1 125 125 ALA C C 125 179.200 179.200 179.620 -0.420 17577 5030 1 6 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.564 1.036 17577 5031 1 6 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.013 1.187 17577 5032 1 6 . 1 1 125 125 ALA H H 125 7.510 7.510 7.453 0.057 17577 5033 1 6 . 1 1 126 126 THR N N 126 113.200 113.200 114.478 -1.278 17577 5034 1 6 . 1 1 126 126 THR HA H 126 4.150 4.150 3.980 0.170 17577 5035 1 6 . 1 1 126 126 THR C C 126 176.100 176.100 176.384 -0.284 17577 5036 1 6 . 1 1 126 126 THR CA C 126 68.900 68.900 66.277 2.623 17577 5037 1 6 . 1 1 126 126 THR CB C 126 67.700 67.700 68.483 -0.783 17577 5038 1 6 . 1 1 126 126 THR H H 126 7.820 7.820 7.460 0.359 17577 5039 1 6 . 1 1 127 127 ALA N N 127 123.100 123.100 124.544 -1.444 17577 5040 1 6 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.064 0.016 17577 5041 1 6 . 1 1 127 127 ALA C C 127 181.100 181.100 178.783 2.317 17577 5042 1 6 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.946 1.254 17577 5043 1 6 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.457 0.243 17577 5044 1 6 . 1 1 127 127 ALA H H 127 7.900 7.900 7.907 -0.007 17577 5045 1 6 . 1 1 128 128 ILE N N 128 120.900 120.900 119.980 0.920 17577 5046 1 6 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.742 -0.002 17577 5047 1 6 . 1 1 128 128 ILE C C 128 177.300 177.300 176.987 0.313 17577 5048 1 6 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.543 2.057 17577 5049 1 6 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.914 2.486 17577 5050 1 6 . 1 1 128 128 ILE H H 128 7.640 7.640 8.356 -0.716 17577 5051 1 6 . 1 1 129 129 PHE N N 129 120.300 120.300 119.173 1.127 17577 5052 1 6 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.008 0.002 17577 5053 1 6 . 1 1 129 129 PHE C C 129 176.100 176.100 177.235 -1.135 17577 5054 1 6 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.965 1.335 17577 5055 1 6 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.003 1.897 17577 5056 1 6 . 1 1 129 129 PHE H H 129 8.250 8.250 7.714 0.536 17577 5057 1 6 . 1 1 130 130 ARG N N 130 116.300 116.300 119.194 -2.894 17577 5058 1 6 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.869 -0.309 17577 5059 1 6 . 1 1 130 130 ARG C C 130 179.400 179.400 177.926 1.474 17577 5060 1 6 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.166 1.934 17577 5061 1 6 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.032 0.568 17577 5062 1 6 . 1 1 130 130 ARG H H 130 8.650 8.650 7.925 0.725 17577 5063 1 6 . 1 1 131 131 LYS N N 131 122.200 122.200 120.051 2.149 17577 5064 1 6 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.960 0.070 17577 5065 1 6 . 1 1 131 131 LYS C C 131 179.300 179.300 179.093 0.207 17577 5066 1 6 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.766 0.734 17577 5067 1 6 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.290 0.910 17577 5068 1 6 . 1 1 131 131 LYS H H 131 8.020 8.020 7.699 0.321 17577 5069 1 6 . 1 1 132 132 LEU N N 132 120.300 120.300 116.124 4.176 17577 5070 1 6 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.981 -0.051 17577 5071 1 6 . 1 1 132 132 LEU C C 132 179.600 179.600 178.650 0.950 17577 5072 1 6 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.712 0.888 17577 5073 1 6 . 1 1 132 132 LEU CB C 132 42.500 42.500 40.974 1.526 17577 5074 1 6 . 1 1 132 132 LEU H H 132 8.450 8.450 7.416 1.034 17577 5075 1 6 . 1 1 133 133 ALA N N 133 122.400 122.400 121.500 0.900 17577 5076 1 6 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.612 0.358 17577 5077 1 6 . 1 1 133 133 ALA C C 133 180.400 180.400 179.548 0.852 17577 5078 1 6 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.572 1.427 17577 5079 1 6 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.728 0.172 17577 5080 1 6 . 1 1 133 133 ALA H H 133 8.750 8.750 7.220 1.530 17577 5081 1 6 . 1 1 134 134 GLY N N 134 107.400 107.400 106.249 1.151 17577 5082 1 6 . 1 1 134 134 GLY C C 134 178.200 178.200 176.628 1.572 17577 5083 1 6 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.830 1.270 17577 5084 1 6 . 1 1 134 134 GLY H H 134 8.130 8.130 8.077 0.053 17577 5085 1 6 . 1 1 135 135 GLU N N 135 121.900 121.900 120.065 1.835 17577 5086 1 6 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.142 -0.092 17577 5087 1 6 . 1 1 135 135 GLU C C 135 177.400 177.400 177.269 0.131 17577 5088 1 6 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.770 1.530 17577 5089 1 6 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.597 0.803 17577 5090 1 6 . 1 1 135 135 GLU H H 135 7.730 7.730 7.503 0.227 17577 5091 1 6 . 1 1 136 136 ARG N N 136 118.000 118.000 117.850 0.150 17577 5092 1 6 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.412 -0.262 17577 5093 1 6 . 1 1 136 136 ARG C C 136 173.500 173.500 175.403 -1.903 17577 5094 1 6 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.459 0.341 17577 5095 1 6 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.591 -1.691 17577 5096 1 6 . 1 1 136 136 ARG H H 136 7.130 7.130 7.507 -0.377 17577 5097 1 6 . 1 1 137 137 ASN N N 137 109.600 109.600 115.990 -6.390 17577 5098 1 6 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.420 -0.270 17577 5099 1 6 . 1 1 137 137 ASN C C 137 174.200 174.200 174.961 -0.761 17577 5100 1 6 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.656 1.344 17577 5101 1 6 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.389 0.811 17577 5102 1 6 . 1 1 137 137 ASN H H 137 7.560 7.560 7.949 -0.389 17577 5103 1 6 . 1 1 138 138 TYR N N 138 118.600 118.600 116.977 1.623 17577 5104 1 6 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.688 0.602 17577 5105 1 6 . 1 1 138 138 TYR C C 138 175.900 175.900 174.948 0.952 17577 5106 1 6 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.782 0.918 17577 5107 1 6 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.524 -1.924 17577 5108 1 6 . 1 1 138 138 TYR H H 138 8.020 8.020 8.006 0.014 17577 5109 1 6 . 1 1 139 139 THR N N 139 115.000 115.000 111.505 3.495 17577 5110 1 6 . 1 1 139 139 THR HA H 139 4.420 4.420 4.017 0.403 17577 5111 1 6 . 1 1 139 139 THR C C 139 175.500 175.500 175.603 -0.103 17577 5112 1 6 . 1 1 139 139 THR CA C 139 61.400 61.400 58.663 2.737 17577 5113 1 6 . 1 1 139 139 THR CB C 139 71.400 71.400 71.995 -0.595 17577 5114 1 6 . 1 1 139 139 THR H H 139 7.740 7.740 7.804 -0.064 17577 5115 1 6 . 1 1 140 140 ASP N N 140 117.900 117.900 124.738 -6.838 17577 5116 1 6 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.173 0.087 17577 5117 1 6 . 1 1 140 140 ASP C C 140 178.400 178.400 178.033 0.367 17577 5118 1 6 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.938 1.062 17577 5119 1 6 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.014 1.786 17577 5120 1 6 . 1 1 140 140 ASP H H 140 8.630 8.630 8.611 0.019 17577 5121 1 6 . 1 1 141 141 GLU N N 141 116.800 116.800 119.885 -3.085 17577 5122 1 6 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.085 0.185 17577 5123 1 6 . 1 1 141 141 GLU C C 141 176.200 176.200 177.834 -1.634 17577 5124 1 6 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.207 0.893 17577 5125 1 6 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.303 0.797 17577 5126 1 6 . 1 1 141 141 GLU H H 141 8.500 8.500 8.155 0.345 17577 5127 1 6 . 1 1 142 142 MET N N 142 117.400 117.400 115.293 2.107 17577 5128 1 6 . 1 1 142 142 MET HA H 142 4.490 4.490 4.389 0.101 17577 5129 1 6 . 1 1 142 142 MET C C 142 172.900 172.900 176.069 -3.169 17577 5130 1 6 . 1 1 142 142 MET CA C 142 57.100 57.100 57.466 -0.366 17577 5131 1 6 . 1 1 142 142 MET CB C 142 33.400 33.400 33.937 -0.537 17577 5132 1 6 . 1 1 142 142 MET H H 142 7.960 7.960 7.871 0.089 17577 5133 1 6 . 1 1 143 143 VAL N N 143 116.800 116.800 117.540 -0.740 17577 5134 1 6 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.571 0.219 17577 5135 1 6 . 1 1 143 143 VAL C C 143 175.600 175.600 173.917 1.683 17577 5136 1 6 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.732 2.468 17577 5137 1 6 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.281 0.219 17577 5138 1 6 . 1 1 143 143 VAL H H 143 7.120 7.120 7.902 -0.782 17577 5139 1 6 . 1 1 144 144 ALA N N 144 131.000 131.000 132.247 -1.247 17577 5140 1 6 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.814 -0.004 17577 5141 1 6 . 1 1 144 144 ALA C C 144 175.800 175.800 175.598 0.202 17577 5142 1 6 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.667 0.833 17577 5143 1 6 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.618 0.982 17577 5144 1 6 . 1 1 144 144 ALA H H 144 9.600 9.600 8.255 1.345 17577 5145 1 6 . 1 1 145 145 MET N N 145 122.400 122.400 124.521 -2.121 17577 5146 1 6 . 1 1 145 145 MET HA H 145 4.890 4.890 4.497 0.393 17577 5147 1 6 . 1 1 145 145 MET C C 145 176.900 176.900 174.789 2.111 17577 5148 1 6 . 1 1 145 145 MET CA C 145 54.000 54.000 55.855 -1.855 17577 5149 1 6 . 1 1 145 145 MET CB C 145 30.100 30.100 34.049 -3.949 17577 5150 1 6 . 1 1 145 145 MET H H 145 8.630 8.630 8.560 0.070 17577 5151 1 6 . 1 1 146 146 LEU N N 146 125.400 125.400 126.530 -1.130 17577 5152 1 6 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.902 -0.362 17577 5153 1 6 . 1 1 146 146 LEU C C 146 174.500 174.500 174.541 -0.041 17577 5154 1 6 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.213 2.687 17577 5155 1 6 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.836 -2.036 17577 5156 1 6 . 1 1 146 146 LEU H H 146 7.880 7.880 8.443 -0.563 17577 5157 1 6 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.713 -0.133 17577 5158 1 6 . 1 1 147 147 PRO C C 147 176.200 176.200 176.909 -0.709 17577 5159 1 6 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.364 0.936 17577 5160 1 6 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.148 0.452 17577 5161 1 6 . 1 1 148 148 ARG N N 148 120.700 120.700 118.239 2.461 17577 5162 1 6 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.113 0.157 17577 5163 1 6 . 1 1 148 148 ARG C C 148 175.500 175.500 176.169 -0.669 17577 5164 1 6 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.769 0.531 17577 5165 1 6 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.154 2.245 17577 5166 1 6 . 1 1 148 148 ARG H H 148 8.540 8.540 8.564 -0.024 17577 5167 1 6 . 1 1 149 149 GLN N N 149 115.000 115.000 119.203 -4.203 17577 5168 1 6 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.168 0.552 17577 5169 1 6 . 1 1 149 149 GLN C C 149 174.300 174.300 175.240 -0.940 17577 5170 1 6 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.969 -1.069 17577 5171 1 6 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.483 1.218 17577 5172 1 6 . 1 1 149 149 GLN H H 149 7.770 7.770 8.075 -0.305 17577 5173 1 6 . 1 1 150 150 GLU N N 150 117.800 117.800 120.480 -2.680 17577 5174 1 6 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.645 -0.175 17577 5175 1 6 . 1 1 150 150 GLU C C 150 175.800 175.800 175.453 0.347 17577 5176 1 6 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.050 1.250 17577 5177 1 6 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.586 0.814 17577 5178 1 6 . 1 1 150 150 GLU H H 150 8.570 8.570 8.390 0.180 17577 5179 1 6 . 1 1 151 151 GLU N N 151 119.200 119.200 122.594 -3.394 17577 5180 1 6 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.466 -0.206 17577 5181 1 6 . 1 1 151 151 GLU C C 151 176.000 176.000 175.459 0.541 17577 5182 1 6 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.797 2.703 17577 5183 1 6 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.158 1.042 17577 5184 1 6 . 1 1 151 151 GLU H H 151 8.000 8.000 8.691 -0.691 17577 5185 1 6 . 1 1 152 152 CYS N N 152 122.100 122.100 117.806 4.294 17577 5186 1 6 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.915 0.225 17577 5187 1 6 . 1 1 152 152 CYS C C 152 172.800 172.800 173.134 -0.334 17577 5188 1 6 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.078 -4.079 17577 5189 1 6 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.023 4.877 17577 5190 1 6 . 1 1 152 152 CYS H H 152 9.620 9.620 8.050 1.570 17577 5191 1 6 . 1 1 153 153 THR N N 153 118.000 118.000 115.484 2.516 17577 5192 1 6 . 1 1 153 153 THR HA H 153 4.860 4.860 4.753 0.107 17577 5193 1 6 . 1 1 153 153 THR C C 153 173.000 173.000 173.245 -0.245 17577 5194 1 6 . 1 1 153 153 THR CA C 153 59.800 59.800 60.483 -0.683 17577 5195 1 6 . 1 1 153 153 THR CB C 153 72.500 72.500 70.887 1.613 17577 5196 1 6 . 1 1 153 153 THR H H 153 8.490 8.490 8.169 0.321 17577 5197 1 6 . 1 1 154 154 VAL N N 154 114.900 114.900 119.111 -4.211 17577 5198 1 6 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.174 -0.054 17577 5199 1 6 . 1 1 154 154 VAL C C 154 175.500 175.500 175.178 0.322 17577 5200 1 6 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.282 -0.282 17577 5201 1 6 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.298 0.802 17577 5202 1 6 . 1 1 154 154 VAL H H 154 6.920 6.920 8.268 -1.348 17577 5203 1 6 . 1 1 155 155 ASP N N 155 124.100 124.100 122.381 1.719 17577 5204 1 6 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.649 -0.159 17577 5205 1 6 . 1 1 155 155 ASP C C 155 175.800 175.800 177.189 -1.389 17577 5206 1 6 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.948 1.752 17577 5207 1 6 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.166 0.134 17577 5208 1 6 . 1 1 155 155 ASP H H 155 8.390 8.390 8.376 0.014 17577 5209 1 6 . 1 1 156 156 GLU N N 156 121.000 121.000 119.015 1.985 17577 5210 1 6 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.198 -0.028 17577 5211 1 6 . 1 1 156 156 GLU C C 156 175.400 175.400 176.903 -1.503 17577 5212 1 6 . 1 1 156 156 GLU CA C 156 57.500 57.500 58.033 -0.533 17577 5213 1 6 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.943 1.457 17577 5214 1 6 . 1 1 156 156 GLU H H 156 8.450 8.450 8.610 -0.160 17577 5215 1 7 . 1 1 4 4 PRO C C 4 175.800 175.800 176.309 -0.509 17577 5216 1 7 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.891 0.409 17577 5217 1 7 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.159 0.841 17577 5218 1 7 . 1 1 5 5 ASP N N 5 119.400 119.400 121.908 -2.508 17577 5219 1 7 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.575 -0.065 17577 5220 1 7 . 1 1 5 5 ASP C C 5 177.100 177.100 178.186 -1.086 17577 5221 1 7 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.767 0.033 17577 5222 1 7 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.118 1.282 17577 5223 1 7 . 1 1 5 5 ASP H H 5 8.090 8.090 8.475 -0.385 17577 5224 1 7 . 1 1 6 6 ARG N N 6 124.800 124.800 124.396 0.404 17577 5225 1 7 . 1 1 6 6 ARG C C 6 177.300 177.300 177.477 -0.177 17577 5226 1 7 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.014 -0.014 17577 5227 1 7 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.706 0.794 17577 5228 1 7 . 1 1 6 6 ARG H H 6 8.590 8.590 8.761 -0.171 17577 5229 1 7 . 1 1 7 7 SER N N 7 113.800 113.800 115.172 -1.372 17577 5230 1 7 . 1 1 7 7 SER CA C 7 62.400 62.400 61.975 0.425 17577 5231 1 7 . 1 1 7 7 SER CB C 7 63.800 63.800 62.600 1.200 17577 5232 1 7 . 1 1 7 7 SER H H 7 8.240 8.240 8.559 -0.319 17577 5233 1 7 . 1 1 8 8 GLU N N 8 120.200 120.200 120.042 0.158 17577 5234 1 7 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.070 0.260 17577 5235 1 7 . 1 1 8 8 GLU C C 8 177.100 177.100 178.768 -1.668 17577 5236 1 7 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.723 -0.023 17577 5237 1 7 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.605 1.294 17577 5238 1 7 . 1 1 8 8 GLU H H 8 8.030 8.030 7.559 0.471 17577 5239 1 7 . 1 1 9 9 ILE N N 9 112.800 112.800 118.779 -5.979 17577 5240 1 7 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.773 0.577 17577 5241 1 7 . 1 1 9 9 ILE C C 9 175.000 175.000 175.290 -0.290 17577 5242 1 7 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.902 1.498 17577 5243 1 7 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.727 2.273 17577 5244 1 7 . 1 1 9 9 ILE H H 9 7.530 7.530 7.247 0.283 17577 5245 1 7 . 1 1 10 10 ALA N N 10 120.400 120.400 121.786 -1.386 17577 5246 1 7 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.519 -0.449 17577 5247 1 7 . 1 1 10 10 ALA C C 10 177.500 177.500 177.123 0.377 17577 5248 1 7 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.738 0.262 17577 5249 1 7 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.306 1.094 17577 5250 1 7 . 1 1 10 10 ALA H H 10 7.410 7.410 8.153 -0.743 17577 5251 1 7 . 1 1 11 11 GLY N N 11 108.300 108.300 110.854 -2.554 17577 5252 1 7 . 1 1 11 11 GLY C C 11 173.700 173.700 173.485 0.215 17577 5253 1 7 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.943 0.357 17577 5254 1 7 . 1 1 11 11 GLY H H 11 8.780 8.780 8.336 0.444 17577 5255 1 7 . 1 1 12 12 LYS N N 12 122.300 122.300 121.341 0.959 17577 5256 1 7 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.781 0.049 17577 5257 1 7 . 1 1 12 12 LYS C C 12 175.900 175.900 174.846 1.054 17577 5258 1 7 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.373 1.927 17577 5259 1 7 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.681 0.319 17577 5260 1 7 . 1 1 12 12 LYS H H 12 8.740 8.740 7.658 1.082 17577 5261 1 7 . 1 1 13 13 TRP N N 13 126.000 126.000 126.971 -0.971 17577 5262 1 7 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.116 -0.486 17577 5263 1 7 . 1 1 13 13 TRP C C 13 173.300 173.300 174.565 -1.265 17577 5264 1 7 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.761 1.939 17577 5265 1 7 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.230 4.170 17577 5266 1 7 . 1 1 13 13 TRP H H 13 9.440 9.440 9.694 -0.254 17577 5267 1 7 . 1 1 14 14 TYR N N 14 118.300 118.300 123.377 -5.077 17577 5268 1 7 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.764 0.286 17577 5269 1 7 . 1 1 14 14 TYR C C 14 175.400 175.400 174.897 0.503 17577 5270 1 7 . 1 1 14 14 TYR CA C 14 58.800 58.800 58.154 0.646 17577 5271 1 7 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.428 1.072 17577 5272 1 7 . 1 1 14 14 TYR H H 14 9.370 9.370 8.902 0.468 17577 5273 1 7 . 1 1 15 15 VAL N N 15 124.200 124.200 125.817 -1.617 17577 5274 1 7 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.292 -0.252 17577 5275 1 7 . 1 1 15 15 VAL C C 15 175.500 175.500 175.819 -0.319 17577 5276 1 7 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.851 -0.151 17577 5277 1 7 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.413 -0.013 17577 5278 1 7 . 1 1 15 15 VAL H H 15 9.000 9.000 9.135 -0.135 17577 5279 1 7 . 1 1 16 16 VAL N N 16 114.600 114.600 119.094 -4.494 17577 5280 1 7 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.575 0.075 17577 5281 1 7 . 1 1 16 16 VAL C C 16 175.900 175.900 173.667 2.233 17577 5282 1 7 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.154 1.046 17577 5283 1 7 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.210 0.390 17577 5284 1 7 . 1 1 16 16 VAL H H 16 8.420 8.420 8.873 -0.454 17577 5285 1 7 . 1 1 17 17 ALA N N 17 122.900 122.900 121.028 1.872 17577 5286 1 7 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.981 0.289 17577 5287 1 7 . 1 1 17 17 ALA C C 17 174.200 174.200 174.200 0.000 17577 5288 1 7 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.384 0.716 17577 5289 1 7 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.363 2.737 17577 5290 1 7 . 1 1 17 17 ALA H H 17 7.590 7.590 7.505 0.085 17577 5291 1 7 . 1 1 18 18 LEU N N 18 118.000 118.000 122.261 -4.261 17577 5292 1 7 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.212 0.228 17577 5293 1 7 . 1 1 18 18 LEU C C 18 176.100 176.100 173.862 2.238 17577 5294 1 7 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.936 0.064 17577 5295 1 7 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.373 3.427 17577 5296 1 7 . 1 1 18 18 LEU H H 18 8.570 8.570 8.027 0.543 17577 5297 1 7 . 1 1 19 19 ALA N N 19 120.300 120.300 124.019 -3.719 17577 5298 1 7 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.596 -0.166 17577 5299 1 7 . 1 1 19 19 ALA C C 19 174.400 174.400 176.145 -1.745 17577 5300 1 7 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.124 2.576 17577 5301 1 7 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.660 0.440 17577 5302 1 7 . 1 1 19 19 ALA H H 19 8.360 8.360 9.093 -0.733 17577 5303 1 7 . 1 1 20 20 SER N N 20 114.200 114.200 113.570 0.630 17577 5304 1 7 . 1 1 20 20 SER HA H 20 3.890 3.890 4.759 -0.869 17577 5305 1 7 . 1 1 20 20 SER C C 20 170.700 170.700 173.141 -2.441 17577 5306 1 7 . 1 1 20 20 SER CA C 20 57.200 57.200 57.562 -0.362 17577 5307 1 7 . 1 1 20 20 SER CB C 20 64.200 64.200 65.081 -0.881 17577 5308 1 7 . 1 1 20 20 SER H H 20 7.450 7.450 8.491 -1.041 17577 5309 1 7 . 1 1 21 21 ASN N N 21 117.500 117.500 117.320 0.180 17577 5310 1 7 . 1 1 21 21 ASN HA H 21 5.220 5.220 5.001 0.219 17577 5311 1 7 . 1 1 21 21 ASN C C 21 176.500 176.500 175.019 1.481 17577 5312 1 7 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.458 -0.958 17577 5313 1 7 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.036 0.264 17577 5314 1 7 . 1 1 21 21 ASN H H 21 7.980 7.980 8.603 -0.623 17577 5315 1 7 . 1 1 22 22 THR N N 22 112.100 112.100 116.626 -4.526 17577 5316 1 7 . 1 1 22 22 THR HA H 22 4.420 4.420 4.089 0.331 17577 5317 1 7 . 1 1 22 22 THR C C 22 174.800 174.800 174.705 0.095 17577 5318 1 7 . 1 1 22 22 THR CA C 22 63.200 63.200 60.839 2.361 17577 5319 1 7 . 1 1 22 22 THR CB C 22 71.800 71.800 69.129 2.671 17577 5320 1 7 . 1 1 22 22 THR H H 22 8.140 8.140 7.667 0.473 17577 5321 1 7 . 1 1 23 23 GLU N N 23 122.700 122.700 129.940 -7.240 17577 5322 1 7 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.830 0.920 17577 5323 1 7 . 1 1 23 23 GLU C C 23 178.800 178.800 177.572 1.228 17577 5324 1 7 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.228 2.071 17577 5325 1 7 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.413 0.886 17577 5326 1 7 . 1 1 23 23 GLU H H 23 8.980 8.980 8.531 0.449 17577 5327 1 7 . 1 1 24 24 PHE N N 24 118.200 118.200 117.443 0.757 17577 5328 1 7 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.187 -0.207 17577 5329 1 7 . 1 1 24 24 PHE C C 24 175.900 175.900 178.058 -2.158 17577 5330 1 7 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.999 2.901 17577 5331 1 7 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.795 2.905 17577 5332 1 7 . 1 1 24 24 PHE H H 24 8.610 8.610 6.604 2.006 17577 5333 1 7 . 1 1 25 25 PHE N N 25 119.000 119.000 119.924 -0.924 17577 5334 1 7 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.348 -0.508 17577 5335 1 7 . 1 1 25 25 PHE C C 25 176.500 176.500 177.715 -1.215 17577 5336 1 7 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.510 2.290 17577 5337 1 7 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.152 1.248 17577 5338 1 7 . 1 1 25 25 PHE H H 25 7.730 7.730 8.139 -0.409 17577 5339 1 7 . 1 1 26 26 LEU N N 26 115.900 115.900 118.542 -2.642 17577 5340 1 7 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.154 -0.424 17577 5341 1 7 . 1 1 26 26 LEU C C 26 179.200 179.200 178.738 0.462 17577 5342 1 7 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.508 0.192 17577 5343 1 7 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.169 0.831 17577 5344 1 7 . 1 1 26 26 LEU H H 26 8.380 8.380 7.652 0.728 17577 5345 1 7 . 1 1 27 27 ARG N N 27 116.900 116.900 119.327 -2.427 17577 5346 1 7 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.955 0.155 17577 5347 1 7 . 1 1 27 27 ARG C C 27 178.400 178.400 178.074 0.326 17577 5348 1 7 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.683 -0.483 17577 5349 1 7 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.150 1.950 17577 5350 1 7 . 1 1 27 27 ARG H H 27 7.720 7.720 8.212 -0.492 17577 5351 1 7 . 1 1 28 28 GLU N N 28 116.000 116.000 117.662 -1.662 17577 5352 1 7 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.254 0.106 17577 5353 1 7 . 1 1 28 28 GLU C C 28 178.200 178.200 178.815 -0.615 17577 5354 1 7 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.526 -1.826 17577 5355 1 7 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.150 0.750 17577 5356 1 7 . 1 1 28 28 GLU H H 28 7.660 7.660 7.830 -0.170 17577 5357 1 7 . 1 1 29 29 LYS N N 29 120.700 120.700 121.263 -0.563 17577 5358 1 7 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.165 -0.025 17577 5359 1 7 . 1 1 29 29 LYS C C 29 177.900 177.900 178.150 -0.250 17577 5360 1 7 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.424 1.476 17577 5361 1 7 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.161 -0.761 17577 5362 1 7 . 1 1 29 29 LYS H H 29 7.910 7.910 8.690 -0.780 17577 5363 1 7 . 1 1 30 30 ASP N N 30 118.800 118.800 117.065 1.735 17577 5364 1 7 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.509 -0.119 17577 5365 1 7 . 1 1 30 30 ASP C C 30 177.000 177.000 177.280 -0.280 17577 5366 1 7 . 1 1 30 30 ASP CA C 30 57.200 57.200 55.931 1.270 17577 5367 1 7 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.053 -0.453 17577 5368 1 7 . 1 1 30 30 ASP H H 30 8.390 8.390 7.980 0.410 17577 5369 1 7 . 1 1 31 31 LYS N N 31 118.000 118.000 117.218 0.782 17577 5370 1 7 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.331 0.059 17577 5371 1 7 . 1 1 31 31 LYS C C 31 177.200 177.200 177.184 0.016 17577 5372 1 7 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.697 0.303 17577 5373 1 7 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.876 1.324 17577 5374 1 7 . 1 1 31 31 LYS H H 31 8.110 8.110 8.161 -0.051 17577 5375 1 7 . 1 1 32 32 MET N N 32 120.300 120.300 117.127 3.173 17577 5376 1 7 . 1 1 32 32 MET HA H 32 4.520 4.520 4.610 -0.090 17577 5377 1 7 . 1 1 32 32 MET C C 32 176.200 176.200 175.422 0.778 17577 5378 1 7 . 1 1 32 32 MET CA C 32 58.000 58.000 55.647 2.353 17577 5379 1 7 . 1 1 32 32 MET CB C 32 33.500 33.500 34.513 -1.013 17577 5380 1 7 . 1 1 32 32 MET H H 32 7.240 7.240 7.439 -0.199 17577 5381 1 7 . 1 1 33 33 LYS N N 33 120.200 120.200 117.621 2.579 17577 5382 1 7 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.649 0.051 17577 5383 1 7 . 1 1 33 33 LYS C C 33 173.000 173.000 176.488 -3.488 17577 5384 1 7 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.582 1.518 17577 5385 1 7 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.943 4.157 17577 5386 1 7 . 1 1 33 33 LYS H H 33 8.560 8.560 7.998 0.562 17577 5387 1 7 . 1 1 34 34 MET N N 34 118.300 118.300 118.349 -0.049 17577 5388 1 7 . 1 1 34 34 MET HA H 34 4.080 4.080 4.333 -0.253 17577 5389 1 7 . 1 1 34 34 MET C C 34 173.800 173.800 174.924 -1.124 17577 5390 1 7 . 1 1 34 34 MET CA C 34 59.500 59.500 57.017 2.483 17577 5391 1 7 . 1 1 34 34 MET CB C 34 35.700 35.700 33.184 2.516 17577 5392 1 7 . 1 1 34 34 MET H H 34 8.370 8.370 7.923 0.447 17577 5393 1 7 . 1 1 35 35 ALA N N 35 126.000 126.000 125.431 0.569 17577 5394 1 7 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.278 -0.018 17577 5395 1 7 . 1 1 35 35 ALA C C 35 176.100 176.100 176.360 -0.260 17577 5396 1 7 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.230 0.370 17577 5397 1 7 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.519 1.281 17577 5398 1 7 . 1 1 35 35 ALA H H 35 7.360 7.360 8.557 -1.197 17577 5399 1 7 . 1 1 36 36 MET N N 36 117.100 117.100 114.986 2.114 17577 5400 1 7 . 1 1 36 36 MET HA H 36 5.280 5.280 5.254 0.026 17577 5401 1 7 . 1 1 36 36 MET C C 36 172.600 172.600 174.491 -1.891 17577 5402 1 7 . 1 1 36 36 MET CA C 36 56.100 56.100 52.614 3.486 17577 5403 1 7 . 1 1 36 36 MET CB C 36 39.600 39.600 36.161 3.439 17577 5404 1 7 . 1 1 36 36 MET H H 36 8.920 8.920 8.896 0.024 17577 5405 1 7 . 1 1 37 37 ALA N N 37 121.700 121.700 121.097 0.603 17577 5406 1 7 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.961 0.469 17577 5407 1 7 . 1 1 37 37 ALA C C 37 175.400 175.400 174.630 0.770 17577 5408 1 7 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.813 -0.613 17577 5409 1 7 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.806 1.593 17577 5410 1 7 . 1 1 37 37 ALA H H 37 8.980 8.980 9.255 -0.275 17577 5411 1 7 . 1 1 38 38 ARG N N 38 120.400 120.400 118.594 1.806 17577 5412 1 7 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.788 0.362 17577 5413 1 7 . 1 1 38 38 ARG C C 38 174.900 174.900 173.605 1.295 17577 5414 1 7 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.048 0.152 17577 5415 1 7 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.296 1.304 17577 5416 1 7 . 1 1 38 38 ARG H H 38 9.180 9.180 7.927 1.253 17577 5417 1 7 . 1 1 39 39 ILE N N 39 126.000 126.000 123.220 2.780 17577 5418 1 7 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.948 -0.028 17577 5419 1 7 . 1 1 39 39 ILE C C 39 175.100 175.100 174.313 0.787 17577 5420 1 7 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.841 1.359 17577 5421 1 7 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.497 0.903 17577 5422 1 7 . 1 1 39 39 ILE H H 39 8.930 8.930 8.406 0.524 17577 5423 1 7 . 1 1 40 40 SER N N 40 121.700 121.700 120.660 1.040 17577 5424 1 7 . 1 1 40 40 SER HA H 40 4.630 4.630 4.638 -0.008 17577 5425 1 7 . 1 1 40 40 SER CA C 40 57.900 57.900 56.866 1.034 17577 5426 1 7 . 1 1 40 40 SER CB C 40 66.300 66.300 66.168 0.132 17577 5427 1 7 . 1 1 40 40 SER H H 40 8.780 8.780 7.901 0.879 17577 5428 1 7 . 1 1 41 41 PHE N N 41 122.300 122.300 121.994 0.306 17577 5429 1 7 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.720 -0.070 17577 5430 1 7 . 1 1 41 41 PHE C C 41 175.900 175.900 176.001 -0.101 17577 5431 1 7 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.608 2.492 17577 5432 1 7 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.035 2.666 17577 5433 1 7 . 1 1 41 41 PHE H H 41 9.080 9.080 9.002 0.078 17577 5434 1 7 . 1 1 42 42 LEU N N 42 125.100 125.100 124.006 1.094 17577 5435 1 7 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.097 0.533 17577 5436 1 7 . 1 1 42 42 LEU C C 42 176.400 176.400 177.528 -1.128 17577 5437 1 7 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.307 -0.807 17577 5438 1 7 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.368 1.432 17577 5439 1 7 . 1 1 42 42 LEU H H 42 8.540 8.540 8.052 0.488 17577 5440 1 7 . 1 1 43 43 GLY N N 43 108.700 108.700 102.625 6.075 17577 5441 1 7 . 1 1 43 43 GLY C C 43 173.700 173.700 174.014 -0.314 17577 5442 1 7 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.014 0.886 17577 5443 1 7 . 1 1 43 43 GLY H H 43 8.310 8.310 7.926 0.384 17577 5444 1 7 . 1 1 44 44 GLU N N 44 120.300 120.300 120.754 -0.454 17577 5445 1 7 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.203 -0.093 17577 5446 1 7 . 1 1 44 44 GLU C C 44 177.200 177.200 176.348 0.852 17577 5447 1 7 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.032 0.567 17577 5448 1 7 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.665 1.135 17577 5449 1 7 . 1 1 44 44 GLU H H 44 8.900 8.900 8.927 -0.027 17577 5450 1 7 . 1 1 45 45 ASP N N 45 115.200 115.200 114.472 0.728 17577 5451 1 7 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.892 -0.022 17577 5452 1 7 . 1 1 45 45 ASP C C 45 174.500 174.500 175.942 -1.442 17577 5453 1 7 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.872 0.928 17577 5454 1 7 . 1 1 45 45 ASP CB C 45 42.700 42.700 41.267 1.433 17577 5455 1 7 . 1 1 45 45 ASP H H 45 8.500 8.500 8.276 0.224 17577 5456 1 7 . 1 1 46 46 GLU N N 46 117.800 117.800 120.471 -2.671 17577 5457 1 7 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.715 0.855 17577 5458 1 7 . 1 1 46 46 GLU C C 46 174.800 174.800 174.335 0.465 17577 5459 1 7 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.968 0.332 17577 5460 1 7 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.828 2.172 17577 5461 1 7 . 1 1 46 46 GLU H H 46 7.450 7.450 8.446 -0.996 17577 5462 1 7 . 1 1 47 47 LEU N N 47 124.200 124.200 124.967 -0.767 17577 5463 1 7 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.101 -0.221 17577 5464 1 7 . 1 1 47 47 LEU C C 47 173.900 173.900 174.938 -1.038 17577 5465 1 7 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.941 2.359 17577 5466 1 7 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.769 0.331 17577 5467 1 7 . 1 1 47 47 LEU H H 47 9.160 9.160 9.471 -0.311 17577 5468 1 7 . 1 1 48 48 LYS N N 48 123.800 123.800 123.248 0.552 17577 5469 1 7 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.643 0.307 17577 5470 1 7 . 1 1 48 48 LYS C C 48 174.300 174.300 174.520 -0.220 17577 5471 1 7 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.473 0.527 17577 5472 1 7 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.352 1.448 17577 5473 1 7 . 1 1 48 48 LYS H H 48 9.020 9.020 8.487 0.533 17577 5474 1 7 . 1 1 49 49 VAL N N 49 126.600 126.600 126.226 0.374 17577 5475 1 7 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.797 -0.187 17577 5476 1 7 . 1 1 49 49 VAL C C 49 173.800 173.800 173.925 -0.125 17577 5477 1 7 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.674 1.626 17577 5478 1 7 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.329 -0.029 17577 5479 1 7 . 1 1 49 49 VAL H H 49 8.920 8.920 8.737 0.183 17577 5480 1 7 . 1 1 50 50 SER N N 50 120.900 120.900 119.443 1.457 17577 5481 1 7 . 1 1 50 50 SER HA H 50 4.860 4.860 4.187 0.673 17577 5482 1 7 . 1 1 50 50 SER CA C 50 57.300 57.300 55.982 1.318 17577 5483 1 7 . 1 1 50 50 SER CB C 50 65.100 65.100 65.115 -0.015 17577 5484 1 7 . 1 1 50 50 SER H H 50 8.360 8.360 8.225 0.135 17577 5485 1 7 . 1 1 51 51 TYR N N 51 122.000 122.000 123.154 -1.154 17577 5486 1 7 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.032 -0.182 17577 5487 1 7 . 1 1 51 51 TYR C C 51 176.800 176.800 174.068 2.732 17577 5488 1 7 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.767 2.433 17577 5489 1 7 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.404 1.196 17577 5490 1 7 . 1 1 51 51 TYR H H 51 8.990 8.990 7.764 1.226 17577 5491 1 7 . 1 1 52 52 ALA N N 52 124.000 124.000 125.244 -1.244 17577 5492 1 7 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.943 -0.073 17577 5493 1 7 . 1 1 52 52 ALA C C 52 174.800 174.800 175.266 -0.466 17577 5494 1 7 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.849 2.151 17577 5495 1 7 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.426 0.374 17577 5496 1 7 . 1 1 52 52 ALA H H 52 8.640 8.640 9.465 -0.825 17577 5497 1 7 . 1 1 53 53 VAL N N 53 124.300 124.300 124.945 -0.645 17577 5498 1 7 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.690 0.080 17577 5499 1 7 . 1 1 53 53 VAL C C 53 174.200 174.200 173.810 0.390 17577 5500 1 7 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.266 1.034 17577 5501 1 7 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.643 1.857 17577 5502 1 7 . 1 1 53 53 VAL H H 53 9.120 9.120 8.195 0.925 17577 5503 1 7 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.594 0.106 17577 5504 1 7 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.630 2.070 17577 5505 1 7 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.912 0.988 17577 5506 1 7 . 1 1 55 55 LYS N N 55 121.100 121.100 125.072 -3.972 17577 5507 1 7 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.758 0.172 17577 5508 1 7 . 1 1 55 55 LYS CA C 55 54.600 54.600 52.814 1.786 17577 5509 1 7 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.692 -0.292 17577 5510 1 7 . 1 1 55 55 LYS H H 55 8.040 8.040 8.277 -0.237 17577 5511 1 7 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.499 -0.219 17577 5512 1 7 . 1 1 56 56 PRO C C 56 177.200 177.200 176.839 0.361 17577 5513 1 7 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.146 1.254 17577 5514 1 7 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.654 0.646 17577 5515 1 7 . 1 1 57 57 ASN N N 57 114.200 114.200 116.239 -2.039 17577 5516 1 7 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.705 0.015 17577 5517 1 7 . 1 1 57 57 ASN C C 57 174.900 174.900 175.137 -0.237 17577 5518 1 7 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.590 1.410 17577 5519 1 7 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.298 1.002 17577 5520 1 7 . 1 1 57 57 ASN H H 57 8.370 8.370 8.175 0.195 17577 5521 1 7 . 1 1 58 58 GLY N N 58 106.500 106.500 106.167 0.333 17577 5522 1 7 . 1 1 58 58 GLY C C 58 172.000 172.000 173.007 -1.007 17577 5523 1 7 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.372 2.628 17577 5524 1 7 . 1 1 58 58 GLY H H 58 7.810 7.810 7.938 -0.128 17577 5525 1 7 . 1 1 60 60 ARG N N 60 132.300 132.300 128.998 3.302 17577 5526 1 7 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.669 -0.089 17577 5527 1 7 . 1 1 60 60 ARG C C 60 174.000 174.000 174.646 -0.646 17577 5528 1 7 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.137 1.363 17577 5529 1 7 . 1 1 60 60 ARG CB C 60 32.400 32.400 31.623 0.777 17577 5530 1 7 . 1 1 60 60 ARG H H 60 9.120 9.120 8.315 0.805 17577 5531 1 7 . 1 1 61 61 LYS N N 61 126.200 126.200 124.708 1.492 17577 5532 1 7 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.027 0.493 17577 5533 1 7 . 1 1 61 61 LYS C C 61 175.900 175.900 175.381 0.519 17577 5534 1 7 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.180 0.920 17577 5535 1 7 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.223 0.877 17577 5536 1 7 . 1 1 61 61 LYS H H 61 8.500 8.500 8.525 -0.025 17577 5537 1 7 . 1 1 62 62 TRP N N 62 121.900 121.900 125.330 -3.430 17577 5538 1 7 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.950 -0.090 17577 5539 1 7 . 1 1 62 62 TRP C C 62 171.900 171.900 173.484 -1.584 17577 5540 1 7 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.333 1.367 17577 5541 1 7 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.819 0.481 17577 5542 1 7 . 1 1 62 62 TRP H H 62 8.070 8.070 8.879 -0.809 17577 5543 1 7 . 1 1 63 63 GLU N N 63 117.100 117.100 119.469 -2.369 17577 5544 1 7 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.054 1.556 17577 5545 1 7 . 1 1 63 63 GLU C C 63 175.500 175.500 174.232 1.268 17577 5546 1 7 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.120 1.080 17577 5547 1 7 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.480 2.619 17577 5548 1 7 . 1 1 63 63 GLU H H 63 8.450 8.450 7.903 0.547 17577 5549 1 7 . 1 1 64 64 THR N N 64 117.400 117.400 116.300 1.100 17577 5550 1 7 . 1 1 64 64 THR HA H 64 4.600 4.600 4.153 0.447 17577 5551 1 7 . 1 1 64 64 THR C C 64 171.800 171.800 172.902 -1.102 17577 5552 1 7 . 1 1 64 64 THR CA C 64 63.000 63.000 60.846 2.154 17577 5553 1 7 . 1 1 64 64 THR CB C 64 72.700 72.700 72.423 0.277 17577 5554 1 7 . 1 1 64 64 THR H H 64 8.980 8.980 8.090 0.890 17577 5555 1 7 . 1 1 65 65 THR N N 65 119.100 119.100 121.456 -2.356 17577 5556 1 7 . 1 1 65 65 THR HA H 65 5.260 5.260 4.517 0.743 17577 5557 1 7 . 1 1 65 65 THR C C 65 173.700 173.700 172.865 0.835 17577 5558 1 7 . 1 1 65 65 THR CA C 65 62.300 62.300 62.860 -0.560 17577 5559 1 7 . 1 1 65 65 THR CB C 65 71.100 71.100 69.506 1.594 17577 5560 1 7 . 1 1 65 65 THR H H 65 8.380 8.380 8.367 0.013 17577 5561 1 7 . 1 1 66 66 PHE N N 66 123.400 123.400 126.327 -2.927 17577 5562 1 7 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.663 0.167 17577 5563 1 7 . 1 1 66 66 PHE C C 66 174.200 174.200 173.870 0.330 17577 5564 1 7 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.804 1.296 17577 5565 1 7 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.690 2.910 17577 5566 1 7 . 1 1 66 66 PHE H H 66 9.590 9.590 9.505 0.085 17577 5567 1 7 . 1 1 67 67 LYS N N 67 119.700 119.700 122.190 -2.490 17577 5568 1 7 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.957 0.563 17577 5569 1 7 . 1 1 67 67 LYS C C 67 176.500 176.500 175.786 0.714 17577 5570 1 7 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.441 1.059 17577 5571 1 7 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.062 1.238 17577 5572 1 7 . 1 1 67 67 LYS H H 67 8.880 8.880 8.878 0.002 17577 5573 1 7 . 1 1 68 68 LYS N N 68 129.100 129.100 125.876 3.224 17577 5574 1 7 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.302 0.578 17577 5575 1 7 . 1 1 68 68 LYS C C 68 177.400 177.400 176.583 0.817 17577 5576 1 7 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.595 1.105 17577 5577 1 7 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.977 2.323 17577 5578 1 7 . 1 1 68 68 LYS H H 68 8.850 8.850 8.402 0.448 17577 5579 1 7 . 1 1 69 69 THR N N 69 118.500 118.500 120.174 -1.674 17577 5580 1 7 . 1 1 69 69 THR HA H 69 4.710 4.710 4.760 -0.050 17577 5581 1 7 . 1 1 69 69 THR C C 69 174.600 174.600 174.221 0.379 17577 5582 1 7 . 1 1 69 69 THR CA C 69 61.900 61.900 59.740 2.160 17577 5583 1 7 . 1 1 69 69 THR CB C 69 70.800 70.800 70.393 0.407 17577 5584 1 7 . 1 1 69 69 THR H H 69 8.720 8.720 8.529 0.191 17577 5585 1 7 . 1 1 70 70 SER N N 70 111.800 111.800 117.549 -5.749 17577 5586 1 7 . 1 1 70 70 SER HA H 70 4.420 4.420 4.661 -0.241 17577 5587 1 7 . 1 1 70 70 SER C C 70 174.500 174.500 175.656 -1.156 17577 5588 1 7 . 1 1 70 70 SER CA C 70 59.300 59.300 58.523 0.777 17577 5589 1 7 . 1 1 70 70 SER CB C 70 64.400 64.400 63.215 1.185 17577 5590 1 7 . 1 1 70 70 SER H H 70 8.350 8.350 8.555 -0.205 17577 5591 1 7 . 1 1 71 71 ASP N N 71 121.100 121.100 122.688 -1.588 17577 5592 1 7 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.251 0.129 17577 5593 1 7 . 1 1 71 71 ASP C C 71 175.600 175.600 175.753 -0.153 17577 5594 1 7 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.733 -0.633 17577 5595 1 7 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.896 2.104 17577 5596 1 7 . 1 1 71 71 ASP H H 71 7.960 7.960 7.831 0.129 17577 5597 1 7 . 1 1 72 72 ASP N N 72 121.000 121.000 118.267 2.733 17577 5598 1 7 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.587 -0.137 17577 5599 1 7 . 1 1 72 72 ASP C C 72 175.900 175.900 175.876 0.024 17577 5600 1 7 . 1 1 72 72 ASP CA C 72 56.100 56.100 53.938 2.162 17577 5601 1 7 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.726 1.374 17577 5602 1 7 . 1 1 72 72 ASP H H 72 8.500 8.500 7.819 0.681 17577 5603 1 7 . 1 1 73 73 GLY N N 73 109.100 109.100 113.393 -4.293 17577 5604 1 7 . 1 1 73 73 GLY C C 73 172.800 172.800 174.194 -1.394 17577 5605 1 7 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.436 0.064 17577 5606 1 7 . 1 1 73 73 GLY H H 73 8.200 8.200 8.275 -0.075 17577 5607 1 7 . 1 1 74 74 GLU N N 74 123.300 123.300 125.607 -2.307 17577 5608 1 7 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.490 0.280 17577 5609 1 7 . 1 1 74 74 GLU C C 74 173.600 173.600 174.276 -0.676 17577 5610 1 7 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.765 -0.365 17577 5611 1 7 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.306 0.294 17577 5612 1 7 . 1 1 74 74 GLU H H 74 8.780 8.780 8.271 0.509 17577 5613 1 7 . 1 1 75 75 VAL N N 75 123.500 123.500 122.158 1.342 17577 5614 1 7 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.190 0.850 17577 5615 1 7 . 1 1 75 75 VAL C C 75 174.100 174.100 173.671 0.429 17577 5616 1 7 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.921 1.579 17577 5617 1 7 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.733 -1.734 17577 5618 1 7 . 1 1 75 75 VAL H H 75 7.870 7.870 7.561 0.309 17577 5619 1 7 . 1 1 76 76 TYR N N 76 125.000 125.000 121.892 3.108 17577 5620 1 7 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.368 -0.128 17577 5621 1 7 . 1 1 76 76 TYR C C 76 174.300 174.300 175.314 -1.014 17577 5622 1 7 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.105 1.696 17577 5623 1 7 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.485 2.215 17577 5624 1 7 . 1 1 76 76 TYR H H 76 9.360 9.360 8.291 1.069 17577 5625 1 7 . 1 1 77 77 TYR N N 77 120.500 120.500 118.094 2.406 17577 5626 1 7 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.623 0.257 17577 5627 1 7 . 1 1 77 77 TYR C C 77 174.600 174.600 173.568 1.032 17577 5628 1 7 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.402 1.598 17577 5629 1 7 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.868 2.732 17577 5630 1 7 . 1 1 77 77 TYR H H 77 9.480 9.480 9.327 0.153 17577 5631 1 7 . 1 1 78 78 SER N N 78 125.100 125.100 118.070 7.030 17577 5632 1 7 . 1 1 78 78 SER HA H 78 4.830 4.830 4.317 0.513 17577 5633 1 7 . 1 1 78 78 SER C C 78 174.300 174.300 174.861 -0.561 17577 5634 1 7 . 1 1 78 78 SER CA C 78 55.600 55.600 55.003 0.597 17577 5635 1 7 . 1 1 78 78 SER CB C 78 64.400 64.400 62.330 2.070 17577 5636 1 7 . 1 1 78 78 SER H H 78 8.570 8.570 8.254 0.316 17577 5637 1 7 . 1 1 79 79 GLU N N 79 130.000 130.000 128.362 1.638 17577 5638 1 7 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.109 -0.129 17577 5639 1 7 . 1 1 79 79 GLU C C 79 178.600 178.600 177.936 0.664 17577 5640 1 7 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.779 0.321 17577 5641 1 7 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.573 0.927 17577 5642 1 7 . 1 1 79 79 GLU H H 79 8.670 8.670 8.479 0.191 17577 5643 1 7 . 1 1 80 80 GLU N N 80 118.900 118.900 117.226 1.674 17577 5644 1 7 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.185 -0.185 17577 5645 1 7 . 1 1 80 80 GLU C C 80 177.700 177.700 177.246 0.454 17577 5646 1 7 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.144 1.856 17577 5647 1 7 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.463 1.037 17577 5648 1 7 . 1 1 80 80 GLU H H 80 8.560 8.560 8.478 0.082 17577 5649 1 7 . 1 1 81 81 ALA N N 81 117.600 117.600 120.127 -2.527 17577 5650 1 7 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.520 -0.130 17577 5651 1 7 . 1 1 81 81 ALA C C 81 176.000 176.000 176.595 -0.595 17577 5652 1 7 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.012 1.388 17577 5653 1 7 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.734 0.866 17577 5654 1 7 . 1 1 81 81 ALA H H 81 7.410 7.410 7.283 0.127 17577 5655 1 7 . 1 1 82 82 LYS N N 82 118.300 118.300 116.967 1.333 17577 5656 1 7 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.890 -0.020 17577 5657 1 7 . 1 1 82 82 LYS C C 82 175.100 175.100 174.549 0.551 17577 5658 1 7 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.268 -0.068 17577 5659 1 7 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.642 0.658 17577 5660 1 7 . 1 1 82 82 LYS H H 82 7.830 7.830 7.872 -0.042 17577 5661 1 7 . 1 1 83 83 LYS N N 83 118.400 118.400 119.546 -1.146 17577 5662 1 7 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.244 0.196 17577 5663 1 7 . 1 1 83 83 LYS C C 83 172.400 172.400 174.463 -2.063 17577 5664 1 7 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.246 0.254 17577 5665 1 7 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.491 2.609 17577 5666 1 7 . 1 1 83 83 LYS H H 83 7.150 7.150 7.522 -0.372 17577 5667 1 7 . 1 1 84 84 LYS N N 84 130.000 130.000 127.908 2.092 17577 5668 1 7 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.524 0.156 17577 5669 1 7 . 1 1 84 84 LYS C C 84 174.900 174.900 174.270 0.630 17577 5670 1 7 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.920 0.780 17577 5671 1 7 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.894 1.106 17577 5672 1 7 . 1 1 84 84 LYS H H 84 9.540 9.540 9.138 0.402 17577 5673 1 7 . 1 1 85 85 VAL N N 85 121.100 121.100 123.373 -2.273 17577 5674 1 7 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.340 -0.360 17577 5675 1 7 . 1 1 85 85 VAL C C 85 173.000 173.000 174.086 -1.086 17577 5676 1 7 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.428 1.972 17577 5677 1 7 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.834 1.866 17577 5678 1 7 . 1 1 85 85 VAL H H 85 9.510 9.510 8.675 0.835 17577 5679 1 7 . 1 1 86 86 GLU N N 86 123.700 123.700 126.245 -2.545 17577 5680 1 7 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.831 0.489 17577 5681 1 7 . 1 1 86 86 GLU C C 86 175.800 175.800 175.049 0.751 17577 5682 1 7 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.864 0.836 17577 5683 1 7 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.807 1.393 17577 5684 1 7 . 1 1 86 86 GLU H H 86 8.830 8.830 8.303 0.527 17577 5685 1 7 . 1 1 87 87 VAL N N 87 125.400 125.400 124.893 0.507 17577 5686 1 7 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.083 0.087 17577 5687 1 7 . 1 1 87 87 VAL C C 87 176.000 176.000 174.716 1.284 17577 5688 1 7 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.940 -0.440 17577 5689 1 7 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.356 0.644 17577 5690 1 7 . 1 1 87 87 VAL H H 87 8.760 8.760 9.135 -0.375 17577 5691 1 7 . 1 1 88 88 LEU N N 88 128.000 128.000 129.473 -1.473 17577 5692 1 7 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.507 -0.117 17577 5693 1 7 . 1 1 88 88 LEU C C 88 177.200 177.200 176.578 0.622 17577 5694 1 7 . 1 1 88 88 LEU CA C 88 57.000 57.000 54.580 2.420 17577 5695 1 7 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.852 1.348 17577 5696 1 7 . 1 1 88 88 LEU H H 88 8.990 8.990 8.469 0.521 17577 5697 1 7 . 1 1 89 89 ASP N N 89 113.900 113.900 116.496 -2.596 17577 5698 1 7 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.761 0.019 17577 5699 1 7 . 1 1 89 89 ASP C C 89 173.900 173.900 173.917 -0.017 17577 5700 1 7 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.810 1.090 17577 5701 1 7 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.906 2.695 17577 5702 1 7 . 1 1 89 89 ASP H H 89 7.140 7.140 7.735 -0.595 17577 5703 1 7 . 1 1 90 90 THR N N 90 119.500 119.500 118.802 0.698 17577 5704 1 7 . 1 1 90 90 THR HA H 90 3.800 3.800 4.633 -0.833 17577 5705 1 7 . 1 1 90 90 THR C C 90 169.800 169.800 173.084 -3.284 17577 5706 1 7 . 1 1 90 90 THR CA C 90 61.500 61.500 61.676 -0.176 17577 5707 1 7 . 1 1 90 90 THR CB C 90 69.200 69.200 70.316 -1.116 17577 5708 1 7 . 1 1 90 90 THR H H 90 8.070 8.070 8.293 -0.223 17577 5709 1 7 . 1 1 91 91 ASP N N 91 122.400 122.400 128.202 -5.802 17577 5710 1 7 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.560 0.290 17577 5711 1 7 . 1 1 91 91 ASP C C 91 176.800 176.800 176.191 0.609 17577 5712 1 7 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.147 -0.247 17577 5713 1 7 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.128 0.772 17577 5714 1 7 . 1 1 91 91 ASP H H 91 6.790 6.790 8.670 -1.880 17577 5715 1 7 . 1 1 92 92 TYR N N 92 115.100 115.100 115.414 -0.314 17577 5716 1 7 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.987 -0.477 17577 5717 1 7 . 1 1 92 92 TYR C C 92 173.900 173.900 174.617 -0.717 17577 5718 1 7 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.445 2.855 17577 5719 1 7 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.549 0.051 17577 5720 1 7 . 1 1 92 92 TYR H H 92 9.420 9.420 8.585 0.835 17577 5721 1 7 . 1 1 93 93 LYS N N 93 112.300 112.300 115.917 -3.617 17577 5722 1 7 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.281 0.389 17577 5723 1 7 . 1 1 93 93 LYS C C 93 175.600 175.600 175.518 0.082 17577 5724 1 7 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.750 2.750 17577 5725 1 7 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.796 4.004 17577 5726 1 7 . 1 1 93 93 LYS H H 93 8.080 8.080 8.398 -0.318 17577 5727 1 7 . 1 1 94 94 SER N N 94 120.300 120.300 112.670 7.630 17577 5728 1 7 . 1 1 94 94 SER HA H 94 4.820 4.820 4.511 0.309 17577 5729 1 7 . 1 1 94 94 SER CA C 94 61.200 61.200 59.062 2.138 17577 5730 1 7 . 1 1 94 94 SER CB C 94 68.800 68.800 65.916 2.884 17577 5731 1 7 . 1 1 94 94 SER H H 94 11.420 11.420 7.815 3.605 17577 5732 1 7 . 1 1 95 95 TYR N N 95 122.700 122.700 114.952 7.748 17577 5733 1 7 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.169 0.981 17577 5734 1 7 . 1 1 95 95 TYR C C 95 173.500 173.500 173.530 -0.030 17577 5735 1 7 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.049 2.551 17577 5736 1 7 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.059 1.541 17577 5737 1 7 . 1 1 95 95 TYR H H 95 8.490 8.490 7.067 1.423 17577 5738 1 7 . 1 1 96 96 ALA N N 96 120.900 120.900 120.935 -0.035 17577 5739 1 7 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.903 -0.353 17577 5740 1 7 . 1 1 96 96 ALA C C 96 174.700 174.700 174.822 -0.122 17577 5741 1 7 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.853 1.647 17577 5742 1 7 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.760 0.940 17577 5743 1 7 . 1 1 96 96 ALA H H 96 9.010 9.010 8.600 0.410 17577 5744 1 7 . 1 1 97 97 VAL N N 97 121.700 121.700 122.864 -1.164 17577 5745 1 7 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.179 -0.159 17577 5746 1 7 . 1 1 97 97 VAL C C 97 174.300 174.300 174.610 -0.310 17577 5747 1 7 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.180 2.020 17577 5748 1 7 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.068 0.532 17577 5749 1 7 . 1 1 97 97 VAL H H 97 9.310 9.310 8.899 0.411 17577 5750 1 7 . 1 1 98 98 ILE N N 98 129.600 129.600 124.009 5.591 17577 5751 1 7 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.620 0.430 17577 5752 1 7 . 1 1 98 98 ILE C C 98 174.000 174.000 174.197 -0.197 17577 5753 1 7 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.753 -0.553 17577 5754 1 7 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.531 0.169 17577 5755 1 7 . 1 1 98 98 ILE H H 98 9.550 9.550 8.402 1.148 17577 5756 1 7 . 1 1 99 99 TYR N N 99 128.100 128.100 126.544 1.556 17577 5757 1 7 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.816 0.444 17577 5758 1 7 . 1 1 99 99 TYR C C 99 173.700 173.700 174.163 -0.463 17577 5759 1 7 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.250 0.450 17577 5760 1 7 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.646 2.554 17577 5761 1 7 . 1 1 99 99 TYR H H 99 9.550 9.550 8.119 1.431 17577 5762 1 7 . 1 1 100 100 ALA N N 100 134.400 134.400 131.051 3.349 17577 5763 1 7 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.634 0.086 17577 5764 1 7 . 1 1 100 100 ALA C C 100 175.500 175.500 175.814 -0.314 17577 5765 1 7 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.842 1.558 17577 5766 1 7 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.974 2.926 17577 5767 1 7 . 1 1 100 100 ALA H H 100 9.610 9.610 8.537 1.073 17577 5768 1 7 . 1 1 101 101 THR N N 101 116.200 116.200 117.063 -0.863 17577 5769 1 7 . 1 1 101 101 THR HA H 101 5.450 5.450 4.872 0.578 17577 5770 1 7 . 1 1 101 101 THR C C 101 173.600 173.600 172.836 0.764 17577 5771 1 7 . 1 1 101 101 THR CA C 101 62.000 62.000 61.350 0.650 17577 5772 1 7 . 1 1 101 101 THR CB C 101 73.100 73.100 71.344 1.756 17577 5773 1 7 . 1 1 101 101 THR H H 101 9.430 9.430 8.780 0.650 17577 5774 1 7 . 1 1 102 102 ARG N N 102 125.700 125.700 129.283 -3.583 17577 5775 1 7 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.241 -0.031 17577 5776 1 7 . 1 1 102 102 ARG C C 102 173.900 173.900 173.984 -0.084 17577 5777 1 7 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.738 0.762 17577 5778 1 7 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.311 2.789 17577 5779 1 7 . 1 1 102 102 ARG H H 102 8.970 8.970 8.255 0.715 17577 5780 1 7 . 1 1 103 103 VAL N N 103 122.100 122.100 125.919 -3.819 17577 5781 1 7 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.543 0.227 17577 5782 1 7 . 1 1 103 103 VAL C C 103 175.700 175.700 174.293 1.407 17577 5783 1 7 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.528 1.872 17577 5784 1 7 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.189 -0.789 17577 5785 1 7 . 1 1 103 103 VAL H H 103 7.870 7.870 8.163 -0.293 17577 5786 1 7 . 1 1 104 104 LYS N N 104 130.100 130.100 128.737 1.363 17577 5787 1 7 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.554 -0.094 17577 5788 1 7 . 1 1 104 104 LYS C C 104 175.400 175.400 175.409 -0.009 17577 5789 1 7 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.398 1.602 17577 5790 1 7 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.031 1.369 17577 5791 1 7 . 1 1 104 104 LYS H H 104 8.980 8.980 8.689 0.291 17577 5792 1 7 . 1 1 106 106 GLY N N 106 136.200 136.200 114.489 21.711 17577 5793 1 7 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.921 1.479 17577 5794 1 7 . 1 1 106 106 GLY H H 106 8.330 8.330 8.670 -0.340 17577 5795 1 7 . 1 1 107 107 ARG N N 107 121.300 121.300 120.991 0.309 17577 5796 1 7 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.741 -0.071 17577 5797 1 7 . 1 1 107 107 ARG C C 107 174.500 174.500 174.278 0.222 17577 5798 1 7 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.100 0.300 17577 5799 1 7 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.204 -0.004 17577 5800 1 7 . 1 1 107 107 ARG H H 107 7.880 7.880 8.049 -0.169 17577 5801 1 7 . 1 1 108 108 THR N N 108 118.800 118.800 118.722 0.078 17577 5802 1 7 . 1 1 108 108 THR HA H 108 4.490 4.490 4.515 -0.025 17577 5803 1 7 . 1 1 108 108 THR C C 108 173.400 173.400 173.222 0.178 17577 5804 1 7 . 1 1 108 108 THR CA C 108 64.100 64.100 61.495 2.605 17577 5805 1 7 . 1 1 108 108 THR CB C 108 69.800 69.800 70.772 -0.972 17577 5806 1 7 . 1 1 108 108 THR H H 108 8.650 8.650 8.348 0.302 17577 5807 1 7 . 1 1 109 109 LEU N N 109 128.900 128.900 124.403 4.497 17577 5808 1 7 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.600 0.130 17577 5809 1 7 . 1 1 109 109 LEU C C 109 175.700 175.700 174.236 1.464 17577 5810 1 7 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.803 0.497 17577 5811 1 7 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.073 0.427 17577 5812 1 7 . 1 1 109 109 LEU H H 109 9.220 9.220 8.376 0.844 17577 5813 1 7 . 1 1 110 110 HIS N N 110 116.200 116.200 119.428 -3.228 17577 5814 1 7 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.272 0.768 17577 5815 1 7 . 1 1 110 110 HIS C C 110 175.300 175.300 173.396 1.904 17577 5816 1 7 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.006 1.294 17577 5817 1 7 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.547 1.954 17577 5818 1 7 . 1 1 110 110 HIS H H 110 8.490 8.490 7.713 0.777 17577 5819 1 7 . 1 1 111 111 MET N N 111 123.400 123.400 115.177 8.223 17577 5820 1 7 . 1 1 111 111 MET HA H 111 4.550 4.550 4.767 -0.217 17577 5821 1 7 . 1 1 111 111 MET C C 111 174.000 174.000 173.483 0.517 17577 5822 1 7 . 1 1 111 111 MET CA C 111 56.600 56.600 54.873 1.727 17577 5823 1 7 . 1 1 111 111 MET CB C 111 37.800 37.800 36.716 1.084 17577 5824 1 7 . 1 1 111 111 MET H H 111 9.090 9.090 8.835 0.255 17577 5825 1 7 . 1 1 112 112 MET N N 112 122.900 122.900 118.625 4.275 17577 5826 1 7 . 1 1 112 112 MET HA H 112 5.670 5.670 4.954 0.716 17577 5827 1 7 . 1 1 112 112 MET C C 112 175.400 175.400 175.767 -0.367 17577 5828 1 7 . 1 1 112 112 MET CA C 112 55.100 55.100 53.907 1.193 17577 5829 1 7 . 1 1 112 112 MET CB C 112 37.200 37.200 34.146 3.054 17577 5830 1 7 . 1 1 112 112 MET H H 112 9.120 9.120 8.715 0.405 17577 5831 1 7 . 1 1 113 113 ARG N N 113 119.500 119.500 124.449 -4.949 17577 5832 1 7 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.814 0.236 17577 5833 1 7 . 1 1 113 113 ARG C C 113 173.800 173.800 173.389 0.411 17577 5834 1 7 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.868 1.132 17577 5835 1 7 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.222 4.378 17577 5836 1 7 . 1 1 113 113 ARG H H 113 9.390 9.390 8.651 0.739 17577 5837 1 7 . 1 1 114 114 LEU N N 114 124.400 124.400 128.794 -4.394 17577 5838 1 7 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.580 -0.550 17577 5839 1 7 . 1 1 114 114 LEU C C 114 174.200 174.200 174.376 -0.176 17577 5840 1 7 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.218 0.882 17577 5841 1 7 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.482 -1.582 17577 5842 1 7 . 1 1 114 114 LEU H H 114 8.020 8.020 9.217 -1.197 17577 5843 1 7 . 1 1 115 115 TYR N N 115 126.000 126.000 127.437 -1.437 17577 5844 1 7 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.680 0.120 17577 5845 1 7 . 1 1 115 115 TYR C C 115 176.500 176.500 173.516 2.984 17577 5846 1 7 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.888 3.112 17577 5847 1 7 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.389 0.512 17577 5848 1 7 . 1 1 115 115 TYR H H 115 9.540 9.540 8.785 0.755 17577 5849 1 7 . 1 1 116 116 SER N N 116 113.200 113.200 115.594 -2.394 17577 5850 1 7 . 1 1 116 116 SER HA H 116 5.840 5.840 4.580 1.260 17577 5851 1 7 . 1 1 116 116 SER C C 116 175.400 175.400 173.962 1.438 17577 5852 1 7 . 1 1 116 116 SER CA C 116 56.600 56.600 54.874 1.726 17577 5853 1 7 . 1 1 116 116 SER CB C 116 67.700 67.700 65.353 2.347 17577 5854 1 7 . 1 1 116 116 SER H H 116 9.930 9.930 8.863 1.067 17577 5855 1 7 . 1 1 117 117 ARG N N 117 130.500 130.500 125.563 4.937 17577 5856 1 7 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.128 -0.448 17577 5857 1 7 . 1 1 117 117 ARG C C 117 175.400 175.400 175.995 -0.595 17577 5858 1 7 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.356 1.944 17577 5859 1 7 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.587 1.913 17577 5860 1 7 . 1 1 117 117 ARG H H 117 8.350 8.350 8.049 0.301 17577 5861 1 7 . 1 1 118 118 SER N N 118 111.300 111.300 112.761 -1.461 17577 5862 1 7 . 1 1 118 118 SER HA H 118 4.990 4.990 5.012 -0.022 17577 5863 1 7 . 1 1 118 118 SER C C 118 173.400 173.400 172.592 0.808 17577 5864 1 7 . 1 1 118 118 SER CA C 118 54.800 54.800 54.356 0.444 17577 5865 1 7 . 1 1 118 118 SER CB C 118 65.800 65.800 64.791 1.009 17577 5866 1 7 . 1 1 118 118 SER H H 118 7.980 7.980 7.355 0.625 17577 5867 1 7 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.361 0.609 17577 5868 1 7 . 1 1 119 119 PRO C C 119 175.500 175.500 176.574 -1.074 17577 5869 1 7 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.098 1.002 17577 5870 1 7 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.497 0.703 17577 5871 1 7 . 1 1 120 120 GLU N N 120 117.500 117.500 117.360 0.140 17577 5872 1 7 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.257 0.003 17577 5873 1 7 . 1 1 120 120 GLU C C 120 174.500 174.500 174.827 -0.327 17577 5874 1 7 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.916 -0.116 17577 5875 1 7 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.788 -1.088 17577 5876 1 7 . 1 1 120 120 GLU H H 120 7.410 7.410 7.405 0.005 17577 5877 1 7 . 1 1 121 121 VAL N N 121 124.900 124.900 120.948 3.952 17577 5878 1 7 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.170 -0.030 17577 5879 1 7 . 1 1 121 121 VAL C C 121 174.400 174.400 175.860 -1.460 17577 5880 1 7 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.406 0.294 17577 5881 1 7 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.148 1.952 17577 5882 1 7 . 1 1 121 121 VAL H H 121 7.900 7.900 8.239 -0.339 17577 5883 1 7 . 1 1 122 122 SER N N 122 124.500 124.500 124.534 -0.034 17577 5884 1 7 . 1 1 122 122 SER HA H 122 4.750 4.750 4.785 -0.035 17577 5885 1 7 . 1 1 122 122 SER CA C 122 57.300 57.300 56.661 0.639 17577 5886 1 7 . 1 1 122 122 SER CB C 122 64.500 64.500 64.188 0.312 17577 5887 1 7 . 1 1 122 122 SER H H 122 8.680 8.680 8.512 0.168 17577 5888 1 7 . 1 1 123 123 PRO C C 123 175.600 175.600 177.575 -1.975 17577 5889 1 7 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.958 0.942 17577 5890 1 7 . 1 1 124 124 ALA N N 124 120.100 120.100 122.077 -1.977 17577 5891 1 7 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.080 -0.010 17577 5892 1 7 . 1 1 124 124 ALA C C 124 179.900 179.900 179.406 0.494 17577 5893 1 7 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.525 1.275 17577 5894 1 7 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.811 1.289 17577 5895 1 7 . 1 1 124 124 ALA H H 124 8.030 8.030 8.255 -0.225 17577 5896 1 7 . 1 1 125 125 ALA N N 125 121.100 121.100 120.560 0.540 17577 5897 1 7 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.076 0.354 17577 5898 1 7 . 1 1 125 125 ALA C C 125 179.200 179.200 179.523 -0.323 17577 5899 1 7 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.493 1.107 17577 5900 1 7 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.080 1.120 17577 5901 1 7 . 1 1 125 125 ALA H H 125 7.510 7.510 7.995 -0.485 17577 5902 1 7 . 1 1 126 126 THR N N 126 113.200 113.200 114.345 -1.145 17577 5903 1 7 . 1 1 126 126 THR HA H 126 4.150 4.150 3.987 0.163 17577 5904 1 7 . 1 1 126 126 THR C C 126 176.100 176.100 176.324 -0.224 17577 5905 1 7 . 1 1 126 126 THR CA C 126 68.900 68.900 66.314 2.586 17577 5906 1 7 . 1 1 126 126 THR CB C 126 67.700 67.700 68.465 -0.765 17577 5907 1 7 . 1 1 126 126 THR H H 126 7.820 7.820 7.470 0.350 17577 5908 1 7 . 1 1 127 127 ALA N N 127 123.100 123.100 124.484 -1.384 17577 5909 1 7 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.058 0.022 17577 5910 1 7 . 1 1 127 127 ALA C C 127 181.100 181.100 178.780 2.320 17577 5911 1 7 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.947 1.253 17577 5912 1 7 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.432 0.268 17577 5913 1 7 . 1 1 127 127 ALA H H 127 7.900 7.900 7.666 0.234 17577 5914 1 7 . 1 1 128 128 ILE N N 128 120.900 120.900 119.948 0.952 17577 5915 1 7 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.747 -0.007 17577 5916 1 7 . 1 1 128 128 ILE C C 128 177.300 177.300 176.999 0.301 17577 5917 1 7 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.491 2.109 17577 5918 1 7 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.914 2.486 17577 5919 1 7 . 1 1 128 128 ILE H H 128 7.640 7.640 8.327 -0.687 17577 5920 1 7 . 1 1 129 129 PHE N N 129 120.300 120.300 119.142 1.158 17577 5921 1 7 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.010 0.000 17577 5922 1 7 . 1 1 129 129 PHE C C 129 176.100 176.100 177.283 -1.183 17577 5923 1 7 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.953 1.347 17577 5924 1 7 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.013 1.887 17577 5925 1 7 . 1 1 129 129 PHE H H 129 8.250 8.250 7.721 0.529 17577 5926 1 7 . 1 1 130 130 ARG N N 130 116.300 116.300 119.171 -2.871 17577 5927 1 7 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.860 -0.300 17577 5928 1 7 . 1 1 130 130 ARG C C 130 179.400 179.400 177.908 1.492 17577 5929 1 7 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.161 1.939 17577 5930 1 7 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.060 0.540 17577 5931 1 7 . 1 1 130 130 ARG H H 130 8.650 8.650 8.011 0.639 17577 5932 1 7 . 1 1 131 131 LYS N N 131 122.200 122.200 120.144 2.056 17577 5933 1 7 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.956 0.074 17577 5934 1 7 . 1 1 131 131 LYS C C 131 179.300 179.300 179.082 0.218 17577 5935 1 7 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.792 0.708 17577 5936 1 7 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.305 0.895 17577 5937 1 7 . 1 1 131 131 LYS H H 131 8.020 8.020 7.671 0.349 17577 5938 1 7 . 1 1 132 132 LEU N N 132 120.300 120.300 115.293 5.007 17577 5939 1 7 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.078 -0.148 17577 5940 1 7 . 1 1 132 132 LEU C C 132 179.600 179.600 178.695 0.905 17577 5941 1 7 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.678 0.922 17577 5942 1 7 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.127 1.373 17577 5943 1 7 . 1 1 132 132 LEU H H 132 8.450 8.450 7.362 1.088 17577 5944 1 7 . 1 1 133 133 ALA N N 133 122.400 122.400 121.600 0.800 17577 5945 1 7 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.638 0.332 17577 5946 1 7 . 1 1 133 133 ALA C C 133 180.400 180.400 179.573 0.827 17577 5947 1 7 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.592 1.408 17577 5948 1 7 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.758 0.142 17577 5949 1 7 . 1 1 133 133 ALA H H 133 8.750 8.750 7.221 1.529 17577 5950 1 7 . 1 1 134 134 GLY N N 134 107.400 107.400 106.304 1.096 17577 5951 1 7 . 1 1 134 134 GLY C C 134 178.200 178.200 176.647 1.553 17577 5952 1 7 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.836 1.264 17577 5953 1 7 . 1 1 134 134 GLY H H 134 8.130 8.130 8.162 -0.032 17577 5954 1 7 . 1 1 135 135 GLU N N 135 121.900 121.900 121.039 0.861 17577 5955 1 7 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.156 -0.106 17577 5956 1 7 . 1 1 135 135 GLU C C 135 177.400 177.400 177.421 -0.021 17577 5957 1 7 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.680 1.620 17577 5958 1 7 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.793 0.607 17577 5959 1 7 . 1 1 135 135 GLU H H 135 7.730 7.730 7.530 0.200 17577 5960 1 7 . 1 1 136 136 ARG N N 136 118.000 118.000 117.665 0.335 17577 5961 1 7 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.415 -0.265 17577 5962 1 7 . 1 1 136 136 ARG C C 136 173.500 173.500 175.249 -1.749 17577 5963 1 7 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.502 0.298 17577 5964 1 7 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.431 -1.531 17577 5965 1 7 . 1 1 136 136 ARG H H 136 7.130 7.130 7.519 -0.389 17577 5966 1 7 . 1 1 137 137 ASN N N 137 109.600 109.600 116.001 -6.401 17577 5967 1 7 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.400 -0.250 17577 5968 1 7 . 1 1 137 137 ASN C C 137 174.200 174.200 174.924 -0.724 17577 5969 1 7 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.360 1.640 17577 5970 1 7 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.806 0.394 17577 5971 1 7 . 1 1 137 137 ASN H H 137 7.560 7.560 7.944 -0.384 17577 5972 1 7 . 1 1 138 138 TYR N N 138 118.600 118.600 116.441 2.159 17577 5973 1 7 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.737 0.553 17577 5974 1 7 . 1 1 138 138 TYR C C 138 175.900 175.900 175.253 0.647 17577 5975 1 7 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.403 1.297 17577 5976 1 7 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.616 -2.016 17577 5977 1 7 . 1 1 138 138 TYR H H 138 8.020 8.020 8.070 -0.050 17577 5978 1 7 . 1 1 139 139 THR N N 139 115.000 115.000 111.205 3.795 17577 5979 1 7 . 1 1 139 139 THR HA H 139 4.420 4.420 4.132 0.288 17577 5980 1 7 . 1 1 139 139 THR C C 139 175.500 175.500 175.447 0.053 17577 5981 1 7 . 1 1 139 139 THR CA C 139 61.400 61.400 58.430 2.970 17577 5982 1 7 . 1 1 139 139 THR CB C 139 71.400 71.400 71.698 -0.298 17577 5983 1 7 . 1 1 139 139 THR H H 139 7.740 7.740 7.753 -0.013 17577 5984 1 7 . 1 1 140 140 ASP N N 140 117.900 117.900 124.508 -6.608 17577 5985 1 7 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.195 0.065 17577 5986 1 7 . 1 1 140 140 ASP C C 140 178.400 178.400 178.166 0.234 17577 5987 1 7 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.471 1.529 17577 5988 1 7 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.920 1.880 17577 5989 1 7 . 1 1 140 140 ASP H H 140 8.630 8.630 8.704 -0.074 17577 5990 1 7 . 1 1 141 141 GLU N N 141 116.800 116.800 119.639 -2.839 17577 5991 1 7 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.074 0.196 17577 5992 1 7 . 1 1 141 141 GLU C C 141 176.200 176.200 177.578 -1.378 17577 5993 1 7 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.213 0.887 17577 5994 1 7 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.309 0.791 17577 5995 1 7 . 1 1 141 141 GLU H H 141 8.500 8.500 8.108 0.392 17577 5996 1 7 . 1 1 142 142 MET N N 142 117.400 117.400 114.764 2.636 17577 5997 1 7 . 1 1 142 142 MET HA H 142 4.490 4.490 4.394 0.096 17577 5998 1 7 . 1 1 142 142 MET C C 142 172.900 172.900 176.115 -3.215 17577 5999 1 7 . 1 1 142 142 MET CA C 142 57.100 57.100 57.436 -0.336 17577 6000 1 7 . 1 1 142 142 MET CB C 142 33.400 33.400 33.913 -0.513 17577 6001 1 7 . 1 1 142 142 MET H H 142 7.960 7.960 7.878 0.082 17577 6002 1 7 . 1 1 143 143 VAL N N 143 116.800 116.800 117.837 -1.037 17577 6003 1 7 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.417 0.373 17577 6004 1 7 . 1 1 143 143 VAL C C 143 175.600 175.600 173.898 1.702 17577 6005 1 7 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.782 2.418 17577 6006 1 7 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.166 0.334 17577 6007 1 7 . 1 1 143 143 VAL H H 143 7.120 7.120 7.904 -0.784 17577 6008 1 7 . 1 1 144 144 ALA N N 144 131.000 131.000 132.620 -1.620 17577 6009 1 7 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.807 0.003 17577 6010 1 7 . 1 1 144 144 ALA C C 144 175.800 175.800 175.738 0.062 17577 6011 1 7 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.701 0.799 17577 6012 1 7 . 1 1 144 144 ALA CB C 144 22.600 22.600 20.911 1.689 17577 6013 1 7 . 1 1 144 144 ALA H H 144 9.600 9.600 8.299 1.301 17577 6014 1 7 . 1 1 145 145 MET N N 145 122.400 122.400 125.211 -2.811 17577 6015 1 7 . 1 1 145 145 MET HA H 145 4.890 4.890 4.419 0.471 17577 6016 1 7 . 1 1 145 145 MET C C 145 176.900 176.900 174.753 2.147 17577 6017 1 7 . 1 1 145 145 MET CA C 145 54.000 54.000 55.914 -1.915 17577 6018 1 7 . 1 1 145 145 MET CB C 145 30.100 30.100 33.977 -3.877 17577 6019 1 7 . 1 1 145 145 MET H H 145 8.630 8.630 8.590 0.040 17577 6020 1 7 . 1 1 146 146 LEU N N 146 125.400 125.400 126.538 -1.138 17577 6021 1 7 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.895 -0.355 17577 6022 1 7 . 1 1 146 146 LEU C C 146 174.500 174.500 174.569 -0.069 17577 6023 1 7 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.261 2.639 17577 6024 1 7 . 1 1 146 146 LEU CB C 146 42.800 42.800 45.104 -2.304 17577 6025 1 7 . 1 1 146 146 LEU H H 146 7.880 7.880 8.384 -0.504 17577 6026 1 7 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.695 -0.115 17577 6027 1 7 . 1 1 147 147 PRO C C 147 176.200 176.200 177.095 -0.895 17577 6028 1 7 . 1 1 147 147 PRO CA C 147 63.300 63.300 61.999 1.301 17577 6029 1 7 . 1 1 147 147 PRO CB C 147 33.600 33.600 32.934 0.666 17577 6030 1 7 . 1 1 148 148 ARG N N 148 120.700 120.700 117.345 3.355 17577 6031 1 7 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.002 0.268 17577 6032 1 7 . 1 1 148 148 ARG C C 148 175.500 175.500 176.460 -0.960 17577 6033 1 7 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.342 0.958 17577 6034 1 7 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.109 2.291 17577 6035 1 7 . 1 1 148 148 ARG H H 148 8.540 8.540 8.403 0.137 17577 6036 1 7 . 1 1 149 149 GLN N N 149 115.000 115.000 121.457 -6.457 17577 6037 1 7 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.204 0.516 17577 6038 1 7 . 1 1 149 149 GLN C C 149 174.300 174.300 174.762 -0.462 17577 6039 1 7 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.948 -1.048 17577 6040 1 7 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.779 0.921 17577 6041 1 7 . 1 1 149 149 GLN H H 149 7.770 7.770 8.105 -0.335 17577 6042 1 7 . 1 1 150 150 GLU N N 150 117.800 117.800 122.436 -4.636 17577 6043 1 7 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.732 -0.262 17577 6044 1 7 . 1 1 150 150 GLU C C 150 175.800 175.800 175.222 0.578 17577 6045 1 7 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.087 1.213 17577 6046 1 7 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.090 0.310 17577 6047 1 7 . 1 1 150 150 GLU H H 150 8.570 8.570 8.427 0.143 17577 6048 1 7 . 1 1 151 151 GLU N N 151 119.200 119.200 122.577 -3.377 17577 6049 1 7 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.462 -0.202 17577 6050 1 7 . 1 1 151 151 GLU C C 151 176.000 176.000 175.569 0.431 17577 6051 1 7 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.763 2.737 17577 6052 1 7 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.234 0.966 17577 6053 1 7 . 1 1 151 151 GLU H H 151 8.000 8.000 8.743 -0.743 17577 6054 1 7 . 1 1 152 152 CYS N N 152 122.100 122.100 118.060 4.040 17577 6055 1 7 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.871 0.269 17577 6056 1 7 . 1 1 152 152 CYS C C 152 172.800 172.800 173.050 -0.250 17577 6057 1 7 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.017 -4.017 17577 6058 1 7 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.682 5.218 17577 6059 1 7 . 1 1 152 152 CYS H H 152 9.620 9.620 8.155 1.465 17577 6060 1 7 . 1 1 153 153 THR N N 153 118.000 118.000 116.232 1.768 17577 6061 1 7 . 1 1 153 153 THR HA H 153 4.860 4.860 4.601 0.259 17577 6062 1 7 . 1 1 153 153 THR C C 153 173.000 173.000 173.322 -0.322 17577 6063 1 7 . 1 1 153 153 THR CA C 153 59.800 59.800 60.611 -0.811 17577 6064 1 7 . 1 1 153 153 THR CB C 153 72.500 72.500 71.155 1.345 17577 6065 1 7 . 1 1 153 153 THR H H 153 8.490 8.490 8.034 0.456 17577 6066 1 7 . 1 1 154 154 VAL N N 154 114.900 114.900 117.626 -2.726 17577 6067 1 7 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.188 -0.068 17577 6068 1 7 . 1 1 154 154 VAL C C 154 175.500 175.500 175.431 0.069 17577 6069 1 7 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.523 -0.523 17577 6070 1 7 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.519 0.581 17577 6071 1 7 . 1 1 154 154 VAL H H 154 6.920 6.920 8.115 -1.195 17577 6072 1 7 . 1 1 155 155 ASP N N 155 124.100 124.100 122.024 2.076 17577 6073 1 7 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.597 -0.107 17577 6074 1 7 . 1 1 155 155 ASP C C 155 175.800 175.800 177.020 -1.220 17577 6075 1 7 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.802 1.898 17577 6076 1 7 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.142 0.158 17577 6077 1 7 . 1 1 155 155 ASP H H 155 8.390 8.390 8.193 0.197 17577 6078 1 7 . 1 1 156 156 GLU N N 156 121.000 121.000 119.200 1.800 17577 6079 1 7 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.192 -0.022 17577 6080 1 7 . 1 1 156 156 GLU C C 156 175.400 175.400 176.755 -1.355 17577 6081 1 7 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.966 -0.466 17577 6082 1 7 . 1 1 156 156 GLU CB C 156 31.400 31.400 30.006 1.394 17577 6083 1 7 . 1 1 156 156 GLU H H 156 8.450 8.450 8.594 -0.144 17577 6084 1 8 . 1 1 4 4 PRO C C 4 175.800 175.800 176.402 -0.602 17577 6085 1 8 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.582 1.718 17577 6086 1 8 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.729 0.271 17577 6087 1 8 . 1 1 5 5 ASP N N 5 119.400 119.400 122.203 -2.803 17577 6088 1 8 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.586 -0.076 17577 6089 1 8 . 1 1 5 5 ASP C C 5 177.100 177.100 176.953 0.147 17577 6090 1 8 . 1 1 5 5 ASP CA C 5 54.800 54.800 53.589 1.211 17577 6091 1 8 . 1 1 5 5 ASP CB C 5 42.400 42.400 39.830 2.570 17577 6092 1 8 . 1 1 5 5 ASP H H 5 8.090 8.090 8.667 -0.577 17577 6093 1 8 . 1 1 6 6 ARG N N 6 124.800 124.800 121.993 2.807 17577 6094 1 8 . 1 1 6 6 ARG C C 6 177.300 177.300 178.137 -0.837 17577 6095 1 8 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.038 -0.038 17577 6096 1 8 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.958 0.542 17577 6097 1 8 . 1 1 6 6 ARG H H 6 8.590 8.590 8.556 0.034 17577 6098 1 8 . 1 1 7 7 SER N N 7 113.800 113.800 114.523 -0.723 17577 6099 1 8 . 1 1 7 7 SER CA C 7 62.400 62.400 60.895 1.505 17577 6100 1 8 . 1 1 7 7 SER CB C 7 63.800 63.800 62.412 1.388 17577 6101 1 8 . 1 1 7 7 SER H H 7 8.240 8.240 8.449 -0.209 17577 6102 1 8 . 1 1 8 8 GLU N N 8 120.200 120.200 120.155 0.045 17577 6103 1 8 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.062 0.268 17577 6104 1 8 . 1 1 8 8 GLU C C 8 177.100 177.100 179.032 -1.932 17577 6105 1 8 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.737 -0.037 17577 6106 1 8 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.610 1.290 17577 6107 1 8 . 1 1 8 8 GLU H H 8 8.030 8.030 7.691 0.339 17577 6108 1 8 . 1 1 9 9 ILE N N 9 112.800 112.800 118.243 -5.443 17577 6109 1 8 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.792 0.558 17577 6110 1 8 . 1 1 9 9 ILE C C 9 175.000 175.000 175.285 -0.285 17577 6111 1 8 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.822 1.578 17577 6112 1 8 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.704 2.296 17577 6113 1 8 . 1 1 9 9 ILE H H 9 7.530 7.530 7.254 0.276 17577 6114 1 8 . 1 1 10 10 ALA N N 10 120.400 120.400 121.848 -1.448 17577 6115 1 8 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.559 -0.489 17577 6116 1 8 . 1 1 10 10 ALA C C 10 177.500 177.500 177.128 0.372 17577 6117 1 8 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.697 0.303 17577 6118 1 8 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.323 1.077 17577 6119 1 8 . 1 1 10 10 ALA H H 10 7.410 7.410 8.097 -0.687 17577 6120 1 8 . 1 1 11 11 GLY N N 11 108.300 108.300 110.927 -2.627 17577 6121 1 8 . 1 1 11 11 GLY C C 11 173.700 173.700 173.650 0.050 17577 6122 1 8 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.952 0.348 17577 6123 1 8 . 1 1 11 11 GLY H H 11 8.780 8.780 8.376 0.404 17577 6124 1 8 . 1 1 12 12 LYS N N 12 122.300 122.300 121.455 0.845 17577 6125 1 8 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.842 -0.012 17577 6126 1 8 . 1 1 12 12 LYS C C 12 175.900 175.900 174.902 0.998 17577 6127 1 8 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.438 1.862 17577 6128 1 8 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.675 0.325 17577 6129 1 8 . 1 1 12 12 LYS H H 12 8.740 8.740 7.701 1.039 17577 6130 1 8 . 1 1 13 13 TRP N N 13 126.000 126.000 127.080 -1.080 17577 6131 1 8 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.169 -0.539 17577 6132 1 8 . 1 1 13 13 TRP C C 13 173.300 173.300 174.575 -1.275 17577 6133 1 8 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.889 1.810 17577 6134 1 8 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.366 4.035 17577 6135 1 8 . 1 1 13 13 TRP H H 13 9.440 9.440 9.814 -0.374 17577 6136 1 8 . 1 1 14 14 TYR N N 14 118.300 118.300 123.759 -5.459 17577 6137 1 8 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.731 0.319 17577 6138 1 8 . 1 1 14 14 TYR C C 14 175.400 175.400 174.683 0.717 17577 6139 1 8 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.730 1.071 17577 6140 1 8 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.159 1.341 17577 6141 1 8 . 1 1 14 14 TYR H H 14 9.370 9.370 8.836 0.534 17577 6142 1 8 . 1 1 15 15 VAL N N 15 124.200 124.200 126.703 -2.503 17577 6143 1 8 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.211 -0.171 17577 6144 1 8 . 1 1 15 15 VAL C C 15 175.500 175.500 175.597 -0.097 17577 6145 1 8 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.686 0.014 17577 6146 1 8 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.450 -0.050 17577 6147 1 8 . 1 1 15 15 VAL H H 15 9.000 9.000 8.865 0.135 17577 6148 1 8 . 1 1 16 16 VAL N N 16 114.600 114.600 119.757 -5.157 17577 6149 1 8 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.540 0.110 17577 6150 1 8 . 1 1 16 16 VAL C C 16 175.900 175.900 173.947 1.953 17577 6151 1 8 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.041 1.159 17577 6152 1 8 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.164 0.435 17577 6153 1 8 . 1 1 16 16 VAL H H 16 8.420 8.420 8.755 -0.335 17577 6154 1 8 . 1 1 17 17 ALA N N 17 122.900 122.900 120.941 1.959 17577 6155 1 8 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.981 0.289 17577 6156 1 8 . 1 1 17 17 ALA C C 17 174.200 174.200 174.220 -0.020 17577 6157 1 8 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.388 0.712 17577 6158 1 8 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.352 2.748 17577 6159 1 8 . 1 1 17 17 ALA H H 17 7.590 7.590 7.490 0.100 17577 6160 1 8 . 1 1 18 18 LEU N N 18 118.000 118.000 122.529 -4.529 17577 6161 1 8 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.201 0.239 17577 6162 1 8 . 1 1 18 18 LEU C C 18 176.100 176.100 173.842 2.258 17577 6163 1 8 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.056 -0.056 17577 6164 1 8 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.348 3.452 17577 6165 1 8 . 1 1 18 18 LEU H H 18 8.570 8.570 8.007 0.563 17577 6166 1 8 . 1 1 19 19 ALA N N 19 120.300 120.300 124.281 -3.981 17577 6167 1 8 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.661 -0.231 17577 6168 1 8 . 1 1 19 19 ALA C C 19 174.400 174.400 175.909 -1.509 17577 6169 1 8 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.133 2.567 17577 6170 1 8 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.632 0.468 17577 6171 1 8 . 1 1 19 19 ALA H H 19 8.360 8.360 9.068 -0.708 17577 6172 1 8 . 1 1 20 20 SER N N 20 114.200 114.200 113.134 1.066 17577 6173 1 8 . 1 1 20 20 SER HA H 20 3.890 3.890 4.649 -0.759 17577 6174 1 8 . 1 1 20 20 SER C C 20 170.700 170.700 172.880 -2.180 17577 6175 1 8 . 1 1 20 20 SER CA C 20 57.200 57.200 57.871 -0.671 17577 6176 1 8 . 1 1 20 20 SER CB C 20 64.200 64.200 64.834 -0.634 17577 6177 1 8 . 1 1 20 20 SER H H 20 7.450 7.450 8.453 -1.003 17577 6178 1 8 . 1 1 21 21 ASN N N 21 117.500 117.500 117.379 0.121 17577 6179 1 8 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.918 0.302 17577 6180 1 8 . 1 1 21 21 ASN C C 21 176.500 176.500 174.980 1.520 17577 6181 1 8 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.146 -0.646 17577 6182 1 8 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.236 0.064 17577 6183 1 8 . 1 1 21 21 ASN H H 21 7.980 7.980 8.504 -0.524 17577 6184 1 8 . 1 1 22 22 THR N N 22 112.100 112.100 116.356 -4.256 17577 6185 1 8 . 1 1 22 22 THR HA H 22 4.420 4.420 4.096 0.324 17577 6186 1 8 . 1 1 22 22 THR C C 22 174.800 174.800 175.207 -0.407 17577 6187 1 8 . 1 1 22 22 THR CA C 22 63.200 63.200 60.703 2.497 17577 6188 1 8 . 1 1 22 22 THR CB C 22 71.800 71.800 68.955 2.845 17577 6189 1 8 . 1 1 22 22 THR H H 22 8.140 8.140 7.763 0.377 17577 6190 1 8 . 1 1 23 23 GLU N N 23 122.700 122.700 129.213 -6.513 17577 6191 1 8 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.779 0.971 17577 6192 1 8 . 1 1 23 23 GLU C C 23 178.800 178.800 177.848 0.952 17577 6193 1 8 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.351 1.949 17577 6194 1 8 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.277 1.023 17577 6195 1 8 . 1 1 23 23 GLU H H 23 8.980 8.980 8.559 0.421 17577 6196 1 8 . 1 1 24 24 PHE N N 24 118.200 118.200 118.071 0.129 17577 6197 1 8 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.184 -0.204 17577 6198 1 8 . 1 1 24 24 PHE C C 24 175.900 175.900 177.895 -1.995 17577 6199 1 8 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.678 3.222 17577 6200 1 8 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.818 2.882 17577 6201 1 8 . 1 1 24 24 PHE H H 24 8.610 8.610 6.597 2.013 17577 6202 1 8 . 1 1 25 25 PHE N N 25 119.000 119.000 119.910 -0.910 17577 6203 1 8 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.331 -0.491 17577 6204 1 8 . 1 1 25 25 PHE C C 25 176.500 176.500 177.659 -1.159 17577 6205 1 8 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.452 2.349 17577 6206 1 8 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.121 1.279 17577 6207 1 8 . 1 1 25 25 PHE H H 25 7.730 7.730 8.111 -0.381 17577 6208 1 8 . 1 1 26 26 LEU N N 26 115.900 115.900 118.233 -2.333 17577 6209 1 8 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.140 -0.410 17577 6210 1 8 . 1 1 26 26 LEU C C 26 179.200 179.200 178.772 0.428 17577 6211 1 8 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.395 0.305 17577 6212 1 8 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.194 0.806 17577 6213 1 8 . 1 1 26 26 LEU H H 26 8.380 8.380 7.644 0.736 17577 6214 1 8 . 1 1 27 27 ARG N N 27 116.900 116.900 119.591 -2.691 17577 6215 1 8 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.960 0.150 17577 6216 1 8 . 1 1 27 27 ARG C C 27 178.400 178.400 177.988 0.412 17577 6217 1 8 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.608 -0.408 17577 6218 1 8 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.174 1.926 17577 6219 1 8 . 1 1 27 27 ARG H H 27 7.720 7.720 8.295 -0.575 17577 6220 1 8 . 1 1 28 28 GLU N N 28 116.000 116.000 117.759 -1.759 17577 6221 1 8 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.252 0.108 17577 6222 1 8 . 1 1 28 28 GLU C C 28 178.200 178.200 178.803 -0.603 17577 6223 1 8 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.524 -1.824 17577 6224 1 8 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.162 0.738 17577 6225 1 8 . 1 1 28 28 GLU H H 28 7.660 7.660 7.840 -0.180 17577 6226 1 8 . 1 1 29 29 LYS N N 29 120.700 120.700 120.269 0.431 17577 6227 1 8 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.150 -0.010 17577 6228 1 8 . 1 1 29 29 LYS C C 29 177.900 177.900 178.270 -0.370 17577 6229 1 8 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.772 1.128 17577 6230 1 8 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.299 -0.899 17577 6231 1 8 . 1 1 29 29 LYS H H 29 7.910 7.910 8.683 -0.773 17577 6232 1 8 . 1 1 30 30 ASP N N 30 118.800 118.800 116.792 2.008 17577 6233 1 8 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.519 -0.129 17577 6234 1 8 . 1 1 30 30 ASP C C 30 177.000 177.000 177.354 -0.354 17577 6235 1 8 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.220 0.980 17577 6236 1 8 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.016 -0.416 17577 6237 1 8 . 1 1 30 30 ASP H H 30 8.390 8.390 7.908 0.482 17577 6238 1 8 . 1 1 31 31 LYS N N 31 118.000 118.000 117.005 0.995 17577 6239 1 8 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.336 0.054 17577 6240 1 8 . 1 1 31 31 LYS C C 31 177.200 177.200 177.087 0.113 17577 6241 1 8 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.605 0.395 17577 6242 1 8 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.894 1.306 17577 6243 1 8 . 1 1 31 31 LYS H H 31 8.110 8.110 8.143 -0.033 17577 6244 1 8 . 1 1 32 32 MET N N 32 120.300 120.300 117.134 3.166 17577 6245 1 8 . 1 1 32 32 MET HA H 32 4.520 4.520 4.602 -0.082 17577 6246 1 8 . 1 1 32 32 MET C C 32 176.200 176.200 175.262 0.938 17577 6247 1 8 . 1 1 32 32 MET CA C 32 58.000 58.000 55.526 2.474 17577 6248 1 8 . 1 1 32 32 MET CB C 32 33.500 33.500 34.502 -1.002 17577 6249 1 8 . 1 1 32 32 MET H H 32 7.240 7.240 7.459 -0.219 17577 6250 1 8 . 1 1 33 33 LYS N N 33 120.200 120.200 118.002 2.198 17577 6251 1 8 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.577 0.123 17577 6252 1 8 . 1 1 33 33 LYS C C 33 173.000 173.000 176.805 -3.805 17577 6253 1 8 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.881 1.219 17577 6254 1 8 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.814 4.286 17577 6255 1 8 . 1 1 33 33 LYS H H 33 8.560 8.560 7.822 0.738 17577 6256 1 8 . 1 1 34 34 MET N N 34 118.300 118.300 118.269 0.031 17577 6257 1 8 . 1 1 34 34 MET HA H 34 4.080 4.080 4.281 -0.201 17577 6258 1 8 . 1 1 34 34 MET C C 34 173.800 173.800 174.887 -1.087 17577 6259 1 8 . 1 1 34 34 MET CA C 34 59.500 59.500 56.801 2.699 17577 6260 1 8 . 1 1 34 34 MET CB C 34 35.700 35.700 33.067 2.633 17577 6261 1 8 . 1 1 34 34 MET H H 34 8.370 8.370 7.964 0.406 17577 6262 1 8 . 1 1 35 35 ALA N N 35 126.000 126.000 124.842 1.158 17577 6263 1 8 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.091 0.169 17577 6264 1 8 . 1 1 35 35 ALA C C 35 176.100 176.100 176.052 0.048 17577 6265 1 8 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.059 0.541 17577 6266 1 8 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.432 1.368 17577 6267 1 8 . 1 1 35 35 ALA H H 35 7.360 7.360 8.349 -0.989 17577 6268 1 8 . 1 1 36 36 MET N N 36 117.100 117.100 115.098 2.002 17577 6269 1 8 . 1 1 36 36 MET HA H 36 5.280 5.280 5.294 -0.014 17577 6270 1 8 . 1 1 36 36 MET C C 36 172.600 172.600 174.582 -1.982 17577 6271 1 8 . 1 1 36 36 MET CA C 36 56.100 56.100 52.612 3.488 17577 6272 1 8 . 1 1 36 36 MET CB C 36 39.600 39.600 36.439 3.161 17577 6273 1 8 . 1 1 36 36 MET H H 36 8.920 8.920 8.654 0.266 17577 6274 1 8 . 1 1 37 37 ALA N N 37 121.700 121.700 121.103 0.597 17577 6275 1 8 . 1 1 37 37 ALA HA H 37 5.430 5.430 5.069 0.361 17577 6276 1 8 . 1 1 37 37 ALA C C 37 175.400 175.400 174.722 0.678 17577 6277 1 8 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.807 -0.607 17577 6278 1 8 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.867 1.532 17577 6279 1 8 . 1 1 37 37 ALA H H 37 8.980 8.980 9.462 -0.482 17577 6280 1 8 . 1 1 38 38 ARG N N 38 120.400 120.400 118.726 1.674 17577 6281 1 8 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.849 0.301 17577 6282 1 8 . 1 1 38 38 ARG C C 38 174.900 174.900 173.668 1.232 17577 6283 1 8 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.084 0.116 17577 6284 1 8 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.311 1.289 17577 6285 1 8 . 1 1 38 38 ARG H H 38 9.180 9.180 7.960 1.220 17577 6286 1 8 . 1 1 39 39 ILE N N 39 126.000 126.000 123.077 2.923 17577 6287 1 8 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.932 -0.012 17577 6288 1 8 . 1 1 39 39 ILE C C 39 175.100 175.100 174.380 0.720 17577 6289 1 8 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.910 1.290 17577 6290 1 8 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.573 0.827 17577 6291 1 8 . 1 1 39 39 ILE H H 39 8.930 8.930 8.429 0.501 17577 6292 1 8 . 1 1 40 40 SER N N 40 121.700 121.700 121.161 0.539 17577 6293 1 8 . 1 1 40 40 SER HA H 40 4.630 4.630 4.759 -0.129 17577 6294 1 8 . 1 1 40 40 SER CA C 40 57.900 57.900 57.007 0.894 17577 6295 1 8 . 1 1 40 40 SER CB C 40 66.300 66.300 66.115 0.185 17577 6296 1 8 . 1 1 40 40 SER H H 40 8.780 8.780 7.955 0.825 17577 6297 1 8 . 1 1 41 41 PHE N N 41 122.300 122.300 122.119 0.181 17577 6298 1 8 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.767 -0.117 17577 6299 1 8 . 1 1 41 41 PHE C C 41 175.900 175.900 176.274 -0.374 17577 6300 1 8 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.368 2.732 17577 6301 1 8 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.045 2.655 17577 6302 1 8 . 1 1 41 41 PHE H H 41 9.080 9.080 8.994 0.086 17577 6303 1 8 . 1 1 42 42 LEU N N 42 125.100 125.100 123.969 1.131 17577 6304 1 8 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.090 0.540 17577 6305 1 8 . 1 1 42 42 LEU C C 42 176.400 176.400 177.516 -1.116 17577 6306 1 8 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.337 -0.837 17577 6307 1 8 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.360 1.440 17577 6308 1 8 . 1 1 42 42 LEU H H 42 8.540 8.540 7.940 0.600 17577 6309 1 8 . 1 1 43 43 GLY N N 43 108.700 108.700 102.900 5.800 17577 6310 1 8 . 1 1 43 43 GLY C C 43 173.700 173.700 173.818 -0.118 17577 6311 1 8 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.001 0.899 17577 6312 1 8 . 1 1 43 43 GLY H H 43 8.310 8.310 7.836 0.474 17577 6313 1 8 . 1 1 44 44 GLU N N 44 120.300 120.300 120.409 -0.109 17577 6314 1 8 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.204 -0.094 17577 6315 1 8 . 1 1 44 44 GLU C C 44 177.200 177.200 176.477 0.723 17577 6316 1 8 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.034 0.566 17577 6317 1 8 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.764 1.036 17577 6318 1 8 . 1 1 44 44 GLU H H 44 8.900 8.900 8.872 0.028 17577 6319 1 8 . 1 1 45 45 ASP N N 45 115.200 115.200 112.138 3.062 17577 6320 1 8 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.815 0.055 17577 6321 1 8 . 1 1 45 45 ASP C C 45 174.500 174.500 176.047 -1.547 17577 6322 1 8 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.013 1.787 17577 6323 1 8 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.175 2.525 17577 6324 1 8 . 1 1 45 45 ASP H H 45 8.500 8.500 8.183 0.317 17577 6325 1 8 . 1 1 46 46 GLU N N 46 117.800 117.800 119.117 -1.317 17577 6326 1 8 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.638 0.932 17577 6327 1 8 . 1 1 46 46 GLU C C 46 174.800 174.800 174.417 0.383 17577 6328 1 8 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.138 0.162 17577 6329 1 8 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.764 2.236 17577 6330 1 8 . 1 1 46 46 GLU H H 46 7.450 7.450 8.326 -0.876 17577 6331 1 8 . 1 1 47 47 LEU N N 47 124.200 124.200 124.874 -0.674 17577 6332 1 8 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.070 -0.190 17577 6333 1 8 . 1 1 47 47 LEU C C 47 173.900 173.900 174.912 -1.012 17577 6334 1 8 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.915 2.385 17577 6335 1 8 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.738 0.362 17577 6336 1 8 . 1 1 47 47 LEU H H 47 9.160 9.160 9.461 -0.301 17577 6337 1 8 . 1 1 48 48 LYS N N 48 123.800 123.800 123.233 0.567 17577 6338 1 8 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.542 0.408 17577 6339 1 8 . 1 1 48 48 LYS C C 48 174.300 174.300 174.536 -0.236 17577 6340 1 8 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.465 0.535 17577 6341 1 8 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.369 1.431 17577 6342 1 8 . 1 1 48 48 LYS H H 48 9.020 9.020 8.416 0.604 17577 6343 1 8 . 1 1 49 49 VAL N N 49 126.600 126.600 126.518 0.082 17577 6344 1 8 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.812 -0.202 17577 6345 1 8 . 1 1 49 49 VAL C C 49 173.800 173.800 173.852 -0.052 17577 6346 1 8 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.702 1.598 17577 6347 1 8 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.308 -0.008 17577 6348 1 8 . 1 1 49 49 VAL H H 49 8.920 8.920 8.713 0.207 17577 6349 1 8 . 1 1 50 50 SER N N 50 120.900 120.900 119.343 1.557 17577 6350 1 8 . 1 1 50 50 SER HA H 50 4.860 4.860 4.213 0.647 17577 6351 1 8 . 1 1 50 50 SER CA C 50 57.300 57.300 55.576 1.724 17577 6352 1 8 . 1 1 50 50 SER CB C 50 65.100 65.100 65.263 -0.163 17577 6353 1 8 . 1 1 50 50 SER H H 50 8.360 8.360 8.145 0.215 17577 6354 1 8 . 1 1 51 51 TYR N N 51 122.000 122.000 122.254 -0.254 17577 6355 1 8 . 1 1 51 51 TYR HA H 51 4.850 4.850 5.011 -0.161 17577 6356 1 8 . 1 1 51 51 TYR C C 51 176.800 176.800 173.971 2.829 17577 6357 1 8 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.102 2.098 17577 6358 1 8 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.493 1.107 17577 6359 1 8 . 1 1 51 51 TYR H H 51 8.990 8.990 7.772 1.218 17577 6360 1 8 . 1 1 52 52 ALA N N 52 124.000 124.000 125.122 -1.122 17577 6361 1 8 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.845 0.025 17577 6362 1 8 . 1 1 52 52 ALA C C 52 174.800 174.800 175.212 -0.412 17577 6363 1 8 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.979 2.021 17577 6364 1 8 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.140 0.659 17577 6365 1 8 . 1 1 52 52 ALA H H 52 8.640 8.640 9.413 -0.773 17577 6366 1 8 . 1 1 53 53 VAL N N 53 124.300 124.300 125.138 -0.838 17577 6367 1 8 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.654 0.116 17577 6368 1 8 . 1 1 53 53 VAL C C 53 174.200 174.200 173.795 0.405 17577 6369 1 8 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.161 1.139 17577 6370 1 8 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.482 2.018 17577 6371 1 8 . 1 1 53 53 VAL H H 53 9.120 9.120 8.102 1.018 17577 6372 1 8 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.584 0.116 17577 6373 1 8 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.086 2.615 17577 6374 1 8 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.024 0.876 17577 6375 1 8 . 1 1 55 55 LYS N N 55 121.100 121.100 123.666 -2.566 17577 6376 1 8 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.720 0.210 17577 6377 1 8 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.853 0.747 17577 6378 1 8 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.424 -0.024 17577 6379 1 8 . 1 1 55 55 LYS H H 55 8.040 8.040 8.296 -0.256 17577 6380 1 8 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.437 -0.157 17577 6381 1 8 . 1 1 56 56 PRO C C 56 177.200 177.200 176.666 0.534 17577 6382 1 8 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.888 1.512 17577 6383 1 8 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.652 0.647 17577 6384 1 8 . 1 1 57 57 ASN N N 57 114.200 114.200 115.280 -1.080 17577 6385 1 8 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.802 -0.082 17577 6386 1 8 . 1 1 57 57 ASN C C 57 174.900 174.900 175.209 -0.309 17577 6387 1 8 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.903 1.097 17577 6388 1 8 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.170 1.130 17577 6389 1 8 . 1 1 57 57 ASN H H 57 8.370 8.370 8.249 0.121 17577 6390 1 8 . 1 1 58 58 GLY N N 58 106.500 106.500 106.959 -0.459 17577 6391 1 8 . 1 1 58 58 GLY C C 58 172.000 172.000 172.414 -0.414 17577 6392 1 8 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.725 2.275 17577 6393 1 8 . 1 1 58 58 GLY H H 58 7.810 7.810 8.093 -0.283 17577 6394 1 8 . 1 1 60 60 ARG N N 60 132.300 132.300 127.378 4.922 17577 6395 1 8 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.705 -0.125 17577 6396 1 8 . 1 1 60 60 ARG C C 60 174.000 174.000 174.216 -0.216 17577 6397 1 8 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.300 1.200 17577 6398 1 8 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.903 -0.502 17577 6399 1 8 . 1 1 60 60 ARG H H 60 9.120 9.120 8.341 0.778 17577 6400 1 8 . 1 1 61 61 LYS N N 61 126.200 126.200 124.645 1.555 17577 6401 1 8 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.032 0.488 17577 6402 1 8 . 1 1 61 61 LYS C C 61 175.900 175.900 175.260 0.640 17577 6403 1 8 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.205 0.895 17577 6404 1 8 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.194 0.906 17577 6405 1 8 . 1 1 61 61 LYS H H 61 8.500 8.500 8.463 0.037 17577 6406 1 8 . 1 1 62 62 TRP N N 62 121.900 121.900 125.344 -3.444 17577 6407 1 8 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.948 -0.088 17577 6408 1 8 . 1 1 62 62 TRP C C 62 171.900 171.900 173.495 -1.595 17577 6409 1 8 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.388 1.312 17577 6410 1 8 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.560 0.740 17577 6411 1 8 . 1 1 62 62 TRP H H 62 8.070 8.070 8.910 -0.840 17577 6412 1 8 . 1 1 63 63 GLU N N 63 117.100 117.100 119.461 -2.361 17577 6413 1 8 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.080 1.530 17577 6414 1 8 . 1 1 63 63 GLU C C 63 175.500 175.500 174.271 1.229 17577 6415 1 8 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.213 0.987 17577 6416 1 8 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.432 2.668 17577 6417 1 8 . 1 1 63 63 GLU H H 63 8.450 8.450 7.907 0.543 17577 6418 1 8 . 1 1 64 64 THR N N 64 117.400 117.400 116.027 1.373 17577 6419 1 8 . 1 1 64 64 THR HA H 64 4.600 4.600 4.086 0.514 17577 6420 1 8 . 1 1 64 64 THR C C 64 171.800 171.800 172.758 -0.958 17577 6421 1 8 . 1 1 64 64 THR CA C 64 63.000 63.000 61.045 1.954 17577 6422 1 8 . 1 1 64 64 THR CB C 64 72.700 72.700 72.398 0.302 17577 6423 1 8 . 1 1 64 64 THR H H 64 8.980 8.980 8.046 0.934 17577 6424 1 8 . 1 1 65 65 THR N N 65 119.100 119.100 121.233 -2.133 17577 6425 1 8 . 1 1 65 65 THR HA H 65 5.260 5.260 4.539 0.721 17577 6426 1 8 . 1 1 65 65 THR C C 65 173.700 173.700 172.938 0.762 17577 6427 1 8 . 1 1 65 65 THR CA C 65 62.300 62.300 62.778 -0.478 17577 6428 1 8 . 1 1 65 65 THR CB C 65 71.100 71.100 69.513 1.587 17577 6429 1 8 . 1 1 65 65 THR H H 65 8.380 8.380 8.500 -0.120 17577 6430 1 8 . 1 1 66 66 PHE N N 66 123.400 123.400 125.779 -2.379 17577 6431 1 8 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.688 0.142 17577 6432 1 8 . 1 1 66 66 PHE C C 66 174.200 174.200 173.689 0.511 17577 6433 1 8 . 1 1 66 66 PHE CA C 66 58.100 58.100 57.114 0.986 17577 6434 1 8 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.416 3.184 17577 6435 1 8 . 1 1 66 66 PHE H H 66 9.590 9.590 9.519 0.071 17577 6436 1 8 . 1 1 67 67 LYS N N 67 119.700 119.700 121.778 -2.078 17577 6437 1 8 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.919 0.601 17577 6438 1 8 . 1 1 67 67 LYS C C 67 176.500 176.500 175.631 0.869 17577 6439 1 8 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.467 1.033 17577 6440 1 8 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.046 1.254 17577 6441 1 8 . 1 1 67 67 LYS H H 67 8.880 8.880 8.803 0.077 17577 6442 1 8 . 1 1 68 68 LYS N N 68 129.100 129.100 125.224 3.876 17577 6443 1 8 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.359 0.521 17577 6444 1 8 . 1 1 68 68 LYS C C 68 177.400 177.400 176.724 0.676 17577 6445 1 8 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.452 1.248 17577 6446 1 8 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.004 2.296 17577 6447 1 8 . 1 1 68 68 LYS H H 68 8.850 8.850 8.641 0.209 17577 6448 1 8 . 1 1 69 69 THR N N 69 118.500 118.500 119.450 -0.950 17577 6449 1 8 . 1 1 69 69 THR HA H 69 4.710 4.710 4.628 0.082 17577 6450 1 8 . 1 1 69 69 THR C C 69 174.600 174.600 173.975 0.625 17577 6451 1 8 . 1 1 69 69 THR CA C 69 61.900 61.900 60.521 1.379 17577 6452 1 8 . 1 1 69 69 THR CB C 69 70.800 70.800 71.316 -0.516 17577 6453 1 8 . 1 1 69 69 THR H H 69 8.720 8.720 8.557 0.163 17577 6454 1 8 . 1 1 70 70 SER N N 70 111.800 111.800 117.015 -5.215 17577 6455 1 8 . 1 1 70 70 SER HA H 70 4.420 4.420 4.602 -0.182 17577 6456 1 8 . 1 1 70 70 SER C C 70 174.500 174.500 175.452 -0.952 17577 6457 1 8 . 1 1 70 70 SER CA C 70 59.300 59.300 57.601 1.699 17577 6458 1 8 . 1 1 70 70 SER CB C 70 64.400 64.400 63.369 1.031 17577 6459 1 8 . 1 1 70 70 SER H H 70 8.350 8.350 8.579 -0.229 17577 6460 1 8 . 1 1 71 71 ASP N N 71 121.100 121.100 121.555 -0.455 17577 6461 1 8 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.271 0.109 17577 6462 1 8 . 1 1 71 71 ASP C C 71 175.600 175.600 175.879 -0.279 17577 6463 1 8 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.547 -0.447 17577 6464 1 8 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.023 1.977 17577 6465 1 8 . 1 1 71 71 ASP H H 71 7.960 7.960 7.691 0.269 17577 6466 1 8 . 1 1 72 72 ASP N N 72 121.000 121.000 117.903 3.097 17577 6467 1 8 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.570 -0.120 17577 6468 1 8 . 1 1 72 72 ASP C C 72 175.900 175.900 175.735 0.165 17577 6469 1 8 . 1 1 72 72 ASP CA C 72 56.100 56.100 53.892 2.208 17577 6470 1 8 . 1 1 72 72 ASP CB C 72 42.100 42.100 41.046 1.054 17577 6471 1 8 . 1 1 72 72 ASP H H 72 8.500 8.500 7.780 0.720 17577 6472 1 8 . 1 1 73 73 GLY N N 73 109.100 109.100 113.832 -4.732 17577 6473 1 8 . 1 1 73 73 GLY C C 73 172.800 172.800 174.339 -1.539 17577 6474 1 8 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.754 -0.254 17577 6475 1 8 . 1 1 73 73 GLY H H 73 8.200 8.200 8.243 -0.043 17577 6476 1 8 . 1 1 74 74 GLU N N 74 123.300 123.300 125.786 -2.486 17577 6477 1 8 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.545 0.225 17577 6478 1 8 . 1 1 74 74 GLU C C 74 173.600 173.600 174.549 -0.949 17577 6479 1 8 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.841 -0.441 17577 6480 1 8 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.036 0.564 17577 6481 1 8 . 1 1 74 74 GLU H H 74 8.780 8.780 8.247 0.533 17577 6482 1 8 . 1 1 75 75 VAL N N 75 123.500 123.500 121.502 1.998 17577 6483 1 8 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.210 0.830 17577 6484 1 8 . 1 1 75 75 VAL C C 75 174.100 174.100 173.756 0.344 17577 6485 1 8 . 1 1 75 75 VAL CA C 75 62.500 62.500 61.008 1.492 17577 6486 1 8 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.880 -1.880 17577 6487 1 8 . 1 1 75 75 VAL H H 75 7.870 7.870 7.536 0.334 17577 6488 1 8 . 1 1 76 76 TYR N N 76 125.000 125.000 121.905 3.095 17577 6489 1 8 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.296 -0.056 17577 6490 1 8 . 1 1 76 76 TYR C C 76 174.300 174.300 175.236 -0.936 17577 6491 1 8 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.200 1.600 17577 6492 1 8 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.417 2.283 17577 6493 1 8 . 1 1 76 76 TYR H H 76 9.360 9.360 8.312 1.048 17577 6494 1 8 . 1 1 77 77 TYR N N 77 120.500 120.500 118.085 2.415 17577 6495 1 8 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.579 0.301 17577 6496 1 8 . 1 1 77 77 TYR C C 77 174.600 174.600 173.552 1.048 17577 6497 1 8 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.389 1.611 17577 6498 1 8 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.897 2.704 17577 6499 1 8 . 1 1 77 77 TYR H H 77 9.480 9.480 9.389 0.091 17577 6500 1 8 . 1 1 78 78 SER N N 78 125.100 125.100 118.095 7.005 17577 6501 1 8 . 1 1 78 78 SER HA H 78 4.830 4.830 4.272 0.558 17577 6502 1 8 . 1 1 78 78 SER C C 78 174.300 174.300 174.733 -0.433 17577 6503 1 8 . 1 1 78 78 SER CA C 78 55.600 55.600 55.268 0.332 17577 6504 1 8 . 1 1 78 78 SER CB C 78 64.400 64.400 62.394 2.006 17577 6505 1 8 . 1 1 78 78 SER H H 78 8.570 8.570 8.219 0.351 17577 6506 1 8 . 1 1 79 79 GLU N N 79 130.000 130.000 128.273 1.727 17577 6507 1 8 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.109 -0.129 17577 6508 1 8 . 1 1 79 79 GLU C C 79 178.600 178.600 177.681 0.919 17577 6509 1 8 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.623 0.477 17577 6510 1 8 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.563 0.937 17577 6511 1 8 . 1 1 79 79 GLU H H 79 8.670 8.670 8.486 0.184 17577 6512 1 8 . 1 1 80 80 GLU N N 80 118.900 118.900 117.035 1.865 17577 6513 1 8 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.217 -0.217 17577 6514 1 8 . 1 1 80 80 GLU C C 80 177.700 177.700 177.254 0.446 17577 6515 1 8 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.024 1.976 17577 6516 1 8 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.541 0.959 17577 6517 1 8 . 1 1 80 80 GLU H H 80 8.560 8.560 8.411 0.149 17577 6518 1 8 . 1 1 81 81 ALA N N 81 117.600 117.600 120.222 -2.622 17577 6519 1 8 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.531 -0.141 17577 6520 1 8 . 1 1 81 81 ALA C C 81 176.000 176.000 176.632 -0.632 17577 6521 1 8 . 1 1 81 81 ALA CA C 81 52.400 52.400 50.975 1.425 17577 6522 1 8 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.826 0.774 17577 6523 1 8 . 1 1 81 81 ALA H H 81 7.410 7.410 7.267 0.143 17577 6524 1 8 . 1 1 82 82 LYS N N 82 118.300 118.300 116.994 1.306 17577 6525 1 8 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.890 -0.020 17577 6526 1 8 . 1 1 82 82 LYS C C 82 175.100 175.100 174.512 0.588 17577 6527 1 8 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.282 -0.082 17577 6528 1 8 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.686 0.614 17577 6529 1 8 . 1 1 82 82 LYS H H 82 7.830 7.830 7.859 -0.029 17577 6530 1 8 . 1 1 83 83 LYS N N 83 118.400 118.400 119.503 -1.103 17577 6531 1 8 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.149 0.291 17577 6532 1 8 . 1 1 83 83 LYS C C 83 172.400 172.400 174.468 -2.068 17577 6533 1 8 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.256 0.244 17577 6534 1 8 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.318 2.782 17577 6535 1 8 . 1 1 83 83 LYS H H 83 7.150 7.150 7.461 -0.311 17577 6536 1 8 . 1 1 84 84 LYS N N 84 130.000 130.000 128.112 1.888 17577 6537 1 8 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.482 0.198 17577 6538 1 8 . 1 1 84 84 LYS C C 84 174.900 174.900 174.250 0.650 17577 6539 1 8 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.904 0.796 17577 6540 1 8 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.897 1.103 17577 6541 1 8 . 1 1 84 84 LYS H H 84 9.540 9.540 9.061 0.479 17577 6542 1 8 . 1 1 85 85 VAL N N 85 121.100 121.100 123.234 -2.134 17577 6543 1 8 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.356 -0.376 17577 6544 1 8 . 1 1 85 85 VAL C C 85 173.000 173.000 174.094 -1.094 17577 6545 1 8 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.439 1.961 17577 6546 1 8 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.866 1.834 17577 6547 1 8 . 1 1 85 85 VAL H H 85 9.510 9.510 8.663 0.847 17577 6548 1 8 . 1 1 86 86 GLU N N 86 123.700 123.700 125.892 -2.192 17577 6549 1 8 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.840 0.480 17577 6550 1 8 . 1 1 86 86 GLU C C 86 175.800 175.800 175.013 0.787 17577 6551 1 8 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.885 0.815 17577 6552 1 8 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.840 1.360 17577 6553 1 8 . 1 1 86 86 GLU H H 86 8.830 8.830 8.318 0.512 17577 6554 1 8 . 1 1 87 87 VAL N N 87 125.400 125.400 124.758 0.642 17577 6555 1 8 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.071 0.099 17577 6556 1 8 . 1 1 87 87 VAL C C 87 176.000 176.000 175.014 0.986 17577 6557 1 8 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.632 -0.132 17577 6558 1 8 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.818 0.182 17577 6559 1 8 . 1 1 87 87 VAL H H 87 8.760 8.760 9.117 -0.357 17577 6560 1 8 . 1 1 88 88 LEU N N 88 128.000 128.000 129.760 -1.760 17577 6561 1 8 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.513 -0.123 17577 6562 1 8 . 1 1 88 88 LEU C C 88 177.200 177.200 176.589 0.611 17577 6563 1 8 . 1 1 88 88 LEU CA C 88 57.000 57.000 54.821 2.179 17577 6564 1 8 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.746 1.454 17577 6565 1 8 . 1 1 88 88 LEU H H 88 8.990 8.990 8.522 0.468 17577 6566 1 8 . 1 1 89 89 ASP N N 89 113.900 113.900 116.518 -2.618 17577 6567 1 8 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.764 0.016 17577 6568 1 8 . 1 1 89 89 ASP C C 89 173.900 173.900 173.930 -0.030 17577 6569 1 8 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.799 1.101 17577 6570 1 8 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.889 2.711 17577 6571 1 8 . 1 1 89 89 ASP H H 89 7.140 7.140 7.774 -0.634 17577 6572 1 8 . 1 1 90 90 THR N N 90 119.500 119.500 119.081 0.419 17577 6573 1 8 . 1 1 90 90 THR HA H 90 3.800 3.800 4.613 -0.813 17577 6574 1 8 . 1 1 90 90 THR C C 90 169.800 169.800 173.107 -3.307 17577 6575 1 8 . 1 1 90 90 THR CA C 90 61.500 61.500 61.641 -0.141 17577 6576 1 8 . 1 1 90 90 THR CB C 90 69.200 69.200 70.294 -1.094 17577 6577 1 8 . 1 1 90 90 THR H H 90 8.070 8.070 8.287 -0.218 17577 6578 1 8 . 1 1 91 91 ASP N N 91 122.400 122.400 128.320 -5.920 17577 6579 1 8 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.601 0.249 17577 6580 1 8 . 1 1 91 91 ASP C C 91 176.800 176.800 176.001 0.799 17577 6581 1 8 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.849 0.052 17577 6582 1 8 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.074 0.826 17577 6583 1 8 . 1 1 91 91 ASP H H 91 6.790 6.790 8.669 -1.879 17577 6584 1 8 . 1 1 92 92 TYR N N 92 115.100 115.100 114.320 0.780 17577 6585 1 8 . 1 1 92 92 TYR HA H 92 3.510 3.510 4.028 -0.518 17577 6586 1 8 . 1 1 92 92 TYR C C 92 173.900 173.900 174.739 -0.839 17577 6587 1 8 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.352 2.948 17577 6588 1 8 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.295 0.305 17577 6589 1 8 . 1 1 92 92 TYR H H 92 9.420 9.420 8.588 0.832 17577 6590 1 8 . 1 1 93 93 LYS N N 93 112.300 112.300 115.232 -2.932 17577 6591 1 8 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.313 0.357 17577 6592 1 8 . 1 1 93 93 LYS C C 93 175.600 175.600 176.059 -0.459 17577 6593 1 8 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.775 2.725 17577 6594 1 8 . 1 1 93 93 LYS CB C 93 37.800 37.800 34.800 3.000 17577 6595 1 8 . 1 1 93 93 LYS H H 93 8.080 8.080 8.397 -0.317 17577 6596 1 8 . 1 1 94 94 SER N N 94 120.300 120.300 113.785 6.515 17577 6597 1 8 . 1 1 94 94 SER HA H 94 4.820 4.820 4.457 0.363 17577 6598 1 8 . 1 1 94 94 SER CA C 94 61.200 61.200 59.188 2.012 17577 6599 1 8 . 1 1 94 94 SER CB C 94 68.800 68.800 65.168 3.631 17577 6600 1 8 . 1 1 94 94 SER H H 94 11.420 11.420 8.679 2.741 17577 6601 1 8 . 1 1 95 95 TYR N N 95 122.700 122.700 115.535 7.165 17577 6602 1 8 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.299 0.851 17577 6603 1 8 . 1 1 95 95 TYR C C 95 173.500 173.500 173.560 -0.060 17577 6604 1 8 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.383 2.217 17577 6605 1 8 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.858 1.742 17577 6606 1 8 . 1 1 95 95 TYR H H 95 8.490 8.490 7.227 1.263 17577 6607 1 8 . 1 1 96 96 ALA N N 96 120.900 120.900 121.413 -0.513 17577 6608 1 8 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.937 -0.387 17577 6609 1 8 . 1 1 96 96 ALA C C 96 174.700 174.700 174.683 0.017 17577 6610 1 8 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.809 1.691 17577 6611 1 8 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.540 1.160 17577 6612 1 8 . 1 1 96 96 ALA H H 96 9.010 9.010 8.622 0.388 17577 6613 1 8 . 1 1 97 97 VAL N N 97 121.700 121.700 122.950 -1.250 17577 6614 1 8 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.130 -0.110 17577 6615 1 8 . 1 1 97 97 VAL C C 97 174.300 174.300 174.605 -0.305 17577 6616 1 8 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.371 1.829 17577 6617 1 8 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.355 0.245 17577 6618 1 8 . 1 1 97 97 VAL H H 97 9.310 9.310 8.970 0.340 17577 6619 1 8 . 1 1 98 98 ILE N N 98 129.600 129.600 123.955 5.645 17577 6620 1 8 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.712 0.338 17577 6621 1 8 . 1 1 98 98 ILE C C 98 174.000 174.000 174.192 -0.192 17577 6622 1 8 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.679 -0.479 17577 6623 1 8 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.475 0.225 17577 6624 1 8 . 1 1 98 98 ILE H H 98 9.550 9.550 8.185 1.365 17577 6625 1 8 . 1 1 99 99 TYR N N 99 128.100 128.100 127.008 1.092 17577 6626 1 8 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.828 0.432 17577 6627 1 8 . 1 1 99 99 TYR C C 99 173.700 173.700 173.794 -0.094 17577 6628 1 8 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.821 0.879 17577 6629 1 8 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.475 2.725 17577 6630 1 8 . 1 1 99 99 TYR H H 99 9.550 9.550 8.164 1.386 17577 6631 1 8 . 1 1 100 100 ALA N N 100 134.400 134.400 131.493 2.907 17577 6632 1 8 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.546 0.174 17577 6633 1 8 . 1 1 100 100 ALA C C 100 175.500 175.500 175.443 0.057 17577 6634 1 8 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.615 1.785 17577 6635 1 8 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.845 3.055 17577 6636 1 8 . 1 1 100 100 ALA H H 100 9.610 9.610 8.511 1.099 17577 6637 1 8 . 1 1 101 101 THR N N 101 116.200 116.200 117.207 -1.007 17577 6638 1 8 . 1 1 101 101 THR HA H 101 5.450 5.450 4.799 0.651 17577 6639 1 8 . 1 1 101 101 THR C C 101 173.600 173.600 172.840 0.760 17577 6640 1 8 . 1 1 101 101 THR CA C 101 62.000 62.000 60.785 1.215 17577 6641 1 8 . 1 1 101 101 THR CB C 101 73.100 73.100 70.748 2.352 17577 6642 1 8 . 1 1 101 101 THR H H 101 9.430 9.430 8.747 0.683 17577 6643 1 8 . 1 1 102 102 ARG N N 102 125.700 125.700 129.586 -3.886 17577 6644 1 8 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.289 -0.079 17577 6645 1 8 . 1 1 102 102 ARG C C 102 173.900 173.900 173.928 -0.028 17577 6646 1 8 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.805 0.695 17577 6647 1 8 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.462 2.638 17577 6648 1 8 . 1 1 102 102 ARG H H 102 8.970 8.970 8.235 0.736 17577 6649 1 8 . 1 1 103 103 VAL N N 103 122.100 122.100 126.233 -4.133 17577 6650 1 8 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.456 0.314 17577 6651 1 8 . 1 1 103 103 VAL C C 103 175.700 175.700 174.490 1.210 17577 6652 1 8 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.071 1.329 17577 6653 1 8 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.723 -0.323 17577 6654 1 8 . 1 1 103 103 VAL H H 103 7.870 7.870 8.073 -0.203 17577 6655 1 8 . 1 1 104 104 LYS N N 104 130.100 130.100 127.492 2.608 17577 6656 1 8 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.541 -0.081 17577 6657 1 8 . 1 1 104 104 LYS C C 104 175.400 175.400 176.222 -0.822 17577 6658 1 8 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.590 1.410 17577 6659 1 8 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.152 1.248 17577 6660 1 8 . 1 1 104 104 LYS H H 104 8.980 8.980 8.634 0.346 17577 6661 1 8 . 1 1 106 106 GLY N N 106 136.200 136.200 113.203 22.997 17577 6662 1 8 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.938 1.462 17577 6663 1 8 . 1 1 106 106 GLY H H 106 8.330 8.330 8.739 -0.409 17577 6664 1 8 . 1 1 107 107 ARG N N 107 121.300 121.300 120.971 0.329 17577 6665 1 8 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.748 -0.078 17577 6666 1 8 . 1 1 107 107 ARG C C 107 174.500 174.500 174.335 0.165 17577 6667 1 8 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.079 0.321 17577 6668 1 8 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.178 0.022 17577 6669 1 8 . 1 1 107 107 ARG H H 107 7.880 7.880 8.065 -0.185 17577 6670 1 8 . 1 1 108 108 THR N N 108 118.800 118.800 118.997 -0.197 17577 6671 1 8 . 1 1 108 108 THR HA H 108 4.490 4.490 4.516 -0.026 17577 6672 1 8 . 1 1 108 108 THR C C 108 173.400 173.400 173.272 0.128 17577 6673 1 8 . 1 1 108 108 THR CA C 108 64.100 64.100 61.563 2.537 17577 6674 1 8 . 1 1 108 108 THR CB C 108 69.800 69.800 70.722 -0.922 17577 6675 1 8 . 1 1 108 108 THR H H 108 8.650 8.650 8.369 0.281 17577 6676 1 8 . 1 1 109 109 LEU N N 109 128.900 128.900 124.739 4.161 17577 6677 1 8 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.775 -0.045 17577 6678 1 8 . 1 1 109 109 LEU C C 109 175.700 175.700 174.224 1.476 17577 6679 1 8 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.783 0.517 17577 6680 1 8 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.221 0.279 17577 6681 1 8 . 1 1 109 109 LEU H H 109 9.220 9.220 8.410 0.810 17577 6682 1 8 . 1 1 110 110 HIS N N 110 116.200 116.200 119.332 -3.132 17577 6683 1 8 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.146 0.894 17577 6684 1 8 . 1 1 110 110 HIS C C 110 175.300 175.300 173.221 2.079 17577 6685 1 8 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.986 1.314 17577 6686 1 8 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.415 2.085 17577 6687 1 8 . 1 1 110 110 HIS H H 110 8.490 8.490 7.958 0.532 17577 6688 1 8 . 1 1 111 111 MET N N 111 123.400 123.400 116.461 6.939 17577 6689 1 8 . 1 1 111 111 MET HA H 111 4.550 4.550 4.874 -0.324 17577 6690 1 8 . 1 1 111 111 MET C C 111 174.000 174.000 174.134 -0.134 17577 6691 1 8 . 1 1 111 111 MET CA C 111 56.600 56.600 54.532 2.067 17577 6692 1 8 . 1 1 111 111 MET CB C 111 37.800 37.800 36.947 0.853 17577 6693 1 8 . 1 1 111 111 MET H H 111 9.090 9.090 8.806 0.284 17577 6694 1 8 . 1 1 112 112 MET N N 112 122.900 122.900 118.519 4.381 17577 6695 1 8 . 1 1 112 112 MET HA H 112 5.670 5.670 5.322 0.348 17577 6696 1 8 . 1 1 112 112 MET C C 112 175.400 175.400 175.847 -0.447 17577 6697 1 8 . 1 1 112 112 MET CA C 112 55.100 55.100 53.784 1.316 17577 6698 1 8 . 1 1 112 112 MET CB C 112 37.200 37.200 34.316 2.884 17577 6699 1 8 . 1 1 112 112 MET H H 112 9.120 9.120 8.472 0.648 17577 6700 1 8 . 1 1 113 113 ARG N N 113 119.500 119.500 124.118 -4.618 17577 6701 1 8 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.815 0.235 17577 6702 1 8 . 1 1 113 113 ARG C C 113 173.800 173.800 173.486 0.314 17577 6703 1 8 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.905 1.095 17577 6704 1 8 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.143 4.457 17577 6705 1 8 . 1 1 113 113 ARG H H 113 9.390 9.390 8.513 0.877 17577 6706 1 8 . 1 1 114 114 LEU N N 114 124.400 124.400 129.012 -4.612 17577 6707 1 8 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.569 -0.539 17577 6708 1 8 . 1 1 114 114 LEU C C 114 174.200 174.200 174.450 -0.250 17577 6709 1 8 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.170 0.929 17577 6710 1 8 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.313 -1.413 17577 6711 1 8 . 1 1 114 114 LEU H H 114 8.020 8.020 9.249 -1.229 17577 6712 1 8 . 1 1 115 115 TYR N N 115 126.000 126.000 127.882 -1.882 17577 6713 1 8 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.709 0.091 17577 6714 1 8 . 1 1 115 115 TYR C C 115 176.500 176.500 173.394 3.106 17577 6715 1 8 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.797 3.203 17577 6716 1 8 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.460 0.440 17577 6717 1 8 . 1 1 115 115 TYR H H 115 9.540 9.540 8.788 0.752 17577 6718 1 8 . 1 1 116 116 SER N N 116 113.200 113.200 114.759 -1.559 17577 6719 1 8 . 1 1 116 116 SER HA H 116 5.840 5.840 4.726 1.114 17577 6720 1 8 . 1 1 116 116 SER C C 116 175.400 175.400 174.027 1.373 17577 6721 1 8 . 1 1 116 116 SER CA C 116 56.600 56.600 55.088 1.512 17577 6722 1 8 . 1 1 116 116 SER CB C 116 67.700 67.700 65.870 1.830 17577 6723 1 8 . 1 1 116 116 SER H H 116 9.930 9.930 8.920 1.010 17577 6724 1 8 . 1 1 117 117 ARG N N 117 130.500 130.500 126.205 4.295 17577 6725 1 8 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.149 -0.469 17577 6726 1 8 . 1 1 117 117 ARG C C 117 175.400 175.400 176.419 -1.019 17577 6727 1 8 . 1 1 117 117 ARG CA C 117 58.300 58.300 55.874 2.426 17577 6728 1 8 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.933 1.567 17577 6729 1 8 . 1 1 117 117 ARG H H 117 8.350 8.350 8.150 0.200 17577 6730 1 8 . 1 1 118 118 SER N N 118 111.300 111.300 112.949 -1.649 17577 6731 1 8 . 1 1 118 118 SER HA H 118 4.990 4.990 4.746 0.244 17577 6732 1 8 . 1 1 118 118 SER C C 118 173.400 173.400 172.566 0.834 17577 6733 1 8 . 1 1 118 118 SER CA C 118 54.800 54.800 54.661 0.139 17577 6734 1 8 . 1 1 118 118 SER CB C 118 65.800 65.800 64.628 1.172 17577 6735 1 8 . 1 1 118 118 SER H H 118 7.980 7.980 7.425 0.555 17577 6736 1 8 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.897 0.073 17577 6737 1 8 . 1 1 119 119 PRO C C 119 175.500 175.500 176.109 -0.609 17577 6738 1 8 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.423 0.677 17577 6739 1 8 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.934 0.266 17577 6740 1 8 . 1 1 120 120 GLU N N 120 117.500 117.500 115.318 2.182 17577 6741 1 8 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.409 -0.149 17577 6742 1 8 . 1 1 120 120 GLU C C 120 174.500 174.500 175.139 -0.639 17577 6743 1 8 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.583 0.217 17577 6744 1 8 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.790 -1.089 17577 6745 1 8 . 1 1 120 120 GLU H H 120 7.410 7.410 7.430 -0.020 17577 6746 1 8 . 1 1 121 121 VAL N N 121 124.900 124.900 119.082 5.818 17577 6747 1 8 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.172 -0.032 17577 6748 1 8 . 1 1 121 121 VAL C C 121 174.400 174.400 175.783 -1.383 17577 6749 1 8 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.565 1.135 17577 6750 1 8 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.060 1.040 17577 6751 1 8 . 1 1 121 121 VAL H H 121 7.900 7.900 8.253 -0.353 17577 6752 1 8 . 1 1 122 122 SER N N 122 124.500 124.500 123.612 0.888 17577 6753 1 8 . 1 1 122 122 SER HA H 122 4.750 4.750 4.707 0.043 17577 6754 1 8 . 1 1 122 122 SER CA C 122 57.300 57.300 55.199 2.101 17577 6755 1 8 . 1 1 122 122 SER CB C 122 64.500 64.500 64.173 0.327 17577 6756 1 8 . 1 1 122 122 SER H H 122 8.680 8.680 8.523 0.157 17577 6757 1 8 . 1 1 123 123 PRO C C 123 175.600 175.600 177.111 -1.511 17577 6758 1 8 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.432 0.468 17577 6759 1 8 . 1 1 124 124 ALA N N 124 120.100 120.100 118.692 1.408 17577 6760 1 8 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.108 -0.038 17577 6761 1 8 . 1 1 124 124 ALA C C 124 179.900 179.900 179.042 0.858 17577 6762 1 8 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.367 1.433 17577 6763 1 8 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.054 1.046 17577 6764 1 8 . 1 1 124 124 ALA H H 124 8.030 8.030 7.545 0.485 17577 6765 1 8 . 1 1 125 125 ALA N N 125 121.100 121.100 121.207 -0.107 17577 6766 1 8 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.094 0.336 17577 6767 1 8 . 1 1 125 125 ALA C C 125 179.200 179.200 179.405 -0.205 17577 6768 1 8 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.502 1.098 17577 6769 1 8 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.123 1.077 17577 6770 1 8 . 1 1 125 125 ALA H H 125 7.510 7.510 8.207 -0.697 17577 6771 1 8 . 1 1 126 126 THR N N 126 113.200 113.200 114.378 -1.178 17577 6772 1 8 . 1 1 126 126 THR HA H 126 4.150 4.150 3.993 0.157 17577 6773 1 8 . 1 1 126 126 THR C C 126 176.100 176.100 176.355 -0.255 17577 6774 1 8 . 1 1 126 126 THR CA C 126 68.900 68.900 66.419 2.481 17577 6775 1 8 . 1 1 126 126 THR CB C 126 67.700 67.700 68.449 -0.749 17577 6776 1 8 . 1 1 126 126 THR H H 126 7.820 7.820 7.520 0.300 17577 6777 1 8 . 1 1 127 127 ALA N N 127 123.100 123.100 124.518 -1.418 17577 6778 1 8 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.094 -0.014 17577 6779 1 8 . 1 1 127 127 ALA C C 127 181.100 181.100 178.813 2.287 17577 6780 1 8 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.986 1.214 17577 6781 1 8 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.476 0.224 17577 6782 1 8 . 1 1 127 127 ALA H H 127 7.900 7.900 7.517 0.383 17577 6783 1 8 . 1 1 128 128 ILE N N 128 120.900 120.900 119.923 0.977 17577 6784 1 8 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.775 -0.035 17577 6785 1 8 . 1 1 128 128 ILE C C 128 177.300 177.300 176.938 0.362 17577 6786 1 8 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.349 2.251 17577 6787 1 8 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.920 2.480 17577 6788 1 8 . 1 1 128 128 ILE H H 128 7.640 7.640 8.286 -0.646 17577 6789 1 8 . 1 1 129 129 PHE N N 129 120.300 120.300 119.360 0.940 17577 6790 1 8 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.000 0.010 17577 6791 1 8 . 1 1 129 129 PHE C C 129 176.100 176.100 177.036 -0.936 17577 6792 1 8 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.062 1.238 17577 6793 1 8 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.043 1.857 17577 6794 1 8 . 1 1 129 129 PHE H H 129 8.250 8.250 7.783 0.467 17577 6795 1 8 . 1 1 130 130 ARG N N 130 116.300 116.300 119.551 -3.251 17577 6796 1 8 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.927 -0.367 17577 6797 1 8 . 1 1 130 130 ARG C C 130 179.400 179.400 178.122 1.278 17577 6798 1 8 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.045 2.055 17577 6799 1 8 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.220 0.380 17577 6800 1 8 . 1 1 130 130 ARG H H 130 8.650 8.650 7.925 0.725 17577 6801 1 8 . 1 1 131 131 LYS N N 131 122.200 122.200 120.172 2.028 17577 6802 1 8 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.957 0.073 17577 6803 1 8 . 1 1 131 131 LYS C C 131 179.300 179.300 179.103 0.197 17577 6804 1 8 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.807 0.693 17577 6805 1 8 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.320 0.880 17577 6806 1 8 . 1 1 131 131 LYS H H 131 8.020 8.020 7.665 0.355 17577 6807 1 8 . 1 1 132 132 LEU N N 132 120.300 120.300 115.932 4.368 17577 6808 1 8 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.141 -0.211 17577 6809 1 8 . 1 1 132 132 LEU C C 132 179.600 179.600 178.982 0.618 17577 6810 1 8 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.712 0.888 17577 6811 1 8 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.142 1.359 17577 6812 1 8 . 1 1 132 132 LEU H H 132 8.450 8.450 7.365 1.085 17577 6813 1 8 . 1 1 133 133 ALA N N 133 122.400 122.400 121.213 1.187 17577 6814 1 8 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.509 0.461 17577 6815 1 8 . 1 1 133 133 ALA C C 133 180.400 180.400 179.300 1.100 17577 6816 1 8 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.306 1.694 17577 6817 1 8 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.848 0.052 17577 6818 1 8 . 1 1 133 133 ALA H H 133 8.750 8.750 7.227 1.523 17577 6819 1 8 . 1 1 134 134 GLY N N 134 107.400 107.400 105.832 1.568 17577 6820 1 8 . 1 1 134 134 GLY C C 134 178.200 178.200 176.336 1.864 17577 6821 1 8 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.817 1.283 17577 6822 1 8 . 1 1 134 134 GLY H H 134 8.130 8.130 8.490 -0.360 17577 6823 1 8 . 1 1 135 135 GLU N N 135 121.900 121.900 120.935 0.965 17577 6824 1 8 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.126 -0.076 17577 6825 1 8 . 1 1 135 135 GLU C C 135 177.400 177.400 177.367 0.033 17577 6826 1 8 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.861 1.439 17577 6827 1 8 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.582 0.817 17577 6828 1 8 . 1 1 135 135 GLU H H 135 7.730 7.730 7.491 0.239 17577 6829 1 8 . 1 1 136 136 ARG N N 136 118.000 118.000 117.371 0.629 17577 6830 1 8 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.383 -0.233 17577 6831 1 8 . 1 1 136 136 ARG C C 136 173.500 173.500 175.291 -1.791 17577 6832 1 8 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.532 0.268 17577 6833 1 8 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.485 -1.585 17577 6834 1 8 . 1 1 136 136 ARG H H 136 7.130 7.130 7.355 -0.225 17577 6835 1 8 . 1 1 137 137 ASN N N 137 109.600 109.600 116.223 -6.623 17577 6836 1 8 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.440 -0.290 17577 6837 1 8 . 1 1 137 137 ASN C C 137 174.200 174.200 174.847 -0.647 17577 6838 1 8 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.174 1.826 17577 6839 1 8 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.724 0.476 17577 6840 1 8 . 1 1 137 137 ASN H H 137 7.560 7.560 8.328 -0.768 17577 6841 1 8 . 1 1 138 138 TYR N N 138 118.600 118.600 116.638 1.962 17577 6842 1 8 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.833 0.457 17577 6843 1 8 . 1 1 138 138 TYR C C 138 175.900 175.900 175.112 0.788 17577 6844 1 8 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.170 1.530 17577 6845 1 8 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.858 -2.258 17577 6846 1 8 . 1 1 138 138 TYR H H 138 8.020 8.020 8.035 -0.015 17577 6847 1 8 . 1 1 139 139 THR N N 139 115.000 115.000 110.924 4.076 17577 6848 1 8 . 1 1 139 139 THR HA H 139 4.420 4.420 4.176 0.244 17577 6849 1 8 . 1 1 139 139 THR C C 139 175.500 175.500 175.223 0.277 17577 6850 1 8 . 1 1 139 139 THR CA C 139 61.400 61.400 58.429 2.971 17577 6851 1 8 . 1 1 139 139 THR CB C 139 71.400 71.400 71.655 -0.255 17577 6852 1 8 . 1 1 139 139 THR H H 139 7.740 7.740 7.946 -0.206 17577 6853 1 8 . 1 1 140 140 ASP N N 140 117.900 117.900 123.863 -5.963 17577 6854 1 8 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.119 0.141 17577 6855 1 8 . 1 1 140 140 ASP C C 140 178.400 178.400 177.591 0.809 17577 6856 1 8 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.330 1.670 17577 6857 1 8 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.617 2.183 17577 6858 1 8 . 1 1 140 140 ASP H H 140 8.630 8.630 8.670 -0.040 17577 6859 1 8 . 1 1 141 141 GLU N N 141 116.800 116.800 119.894 -3.094 17577 6860 1 8 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.066 0.204 17577 6861 1 8 . 1 1 141 141 GLU C C 141 176.200 176.200 177.763 -1.563 17577 6862 1 8 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.180 0.920 17577 6863 1 8 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.291 0.809 17577 6864 1 8 . 1 1 141 141 GLU H H 141 8.500 8.500 8.037 0.463 17577 6865 1 8 . 1 1 142 142 MET N N 142 117.400 117.400 115.383 2.017 17577 6866 1 8 . 1 1 142 142 MET HA H 142 4.490 4.490 4.375 0.115 17577 6867 1 8 . 1 1 142 142 MET C C 142 172.900 172.900 176.084 -3.184 17577 6868 1 8 . 1 1 142 142 MET CA C 142 57.100 57.100 57.401 -0.301 17577 6869 1 8 . 1 1 142 142 MET CB C 142 33.400 33.400 33.821 -0.421 17577 6870 1 8 . 1 1 142 142 MET H H 142 7.960 7.960 7.819 0.141 17577 6871 1 8 . 1 1 143 143 VAL N N 143 116.800 116.800 118.153 -1.353 17577 6872 1 8 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.431 0.359 17577 6873 1 8 . 1 1 143 143 VAL C C 143 175.600 175.600 173.854 1.746 17577 6874 1 8 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.782 2.418 17577 6875 1 8 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.303 0.197 17577 6876 1 8 . 1 1 143 143 VAL H H 143 7.120 7.120 8.021 -0.901 17577 6877 1 8 . 1 1 144 144 ALA N N 144 131.000 131.000 132.803 -1.803 17577 6878 1 8 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.772 0.038 17577 6879 1 8 . 1 1 144 144 ALA C C 144 175.800 175.800 175.830 -0.030 17577 6880 1 8 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.751 0.749 17577 6881 1 8 . 1 1 144 144 ALA CB C 144 22.600 22.600 20.303 2.297 17577 6882 1 8 . 1 1 144 144 ALA H H 144 9.600 9.600 8.395 1.205 17577 6883 1 8 . 1 1 145 145 MET N N 145 122.400 122.400 125.705 -3.305 17577 6884 1 8 . 1 1 145 145 MET HA H 145 4.890 4.890 4.405 0.485 17577 6885 1 8 . 1 1 145 145 MET C C 145 176.900 176.900 174.801 2.099 17577 6886 1 8 . 1 1 145 145 MET CA C 145 54.000 54.000 55.912 -1.912 17577 6887 1 8 . 1 1 145 145 MET CB C 145 30.100 30.100 33.870 -3.770 17577 6888 1 8 . 1 1 145 145 MET H H 145 8.630 8.630 8.551 0.079 17577 6889 1 8 . 1 1 146 146 LEU N N 146 125.400 125.400 126.956 -1.556 17577 6890 1 8 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.891 -0.351 17577 6891 1 8 . 1 1 146 146 LEU C C 146 174.500 174.500 174.616 -0.116 17577 6892 1 8 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.295 2.604 17577 6893 1 8 . 1 1 146 146 LEU CB C 146 42.800 42.800 45.179 -2.380 17577 6894 1 8 . 1 1 146 146 LEU H H 146 7.880 7.880 8.178 -0.298 17577 6895 1 8 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.624 -0.044 17577 6896 1 8 . 1 1 147 147 PRO C C 147 176.200 176.200 176.563 -0.363 17577 6897 1 8 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.070 1.230 17577 6898 1 8 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.275 0.325 17577 6899 1 8 . 1 1 148 148 ARG N N 148 120.700 120.700 117.758 2.942 17577 6900 1 8 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.175 0.095 17577 6901 1 8 . 1 1 148 148 ARG C C 148 175.500 175.500 176.707 -1.207 17577 6902 1 8 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.269 1.031 17577 6903 1 8 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.651 2.749 17577 6904 1 8 . 1 1 148 148 ARG H H 148 8.540 8.540 8.477 0.063 17577 6905 1 8 . 1 1 149 149 GLN N N 149 115.000 115.000 120.935 -5.935 17577 6906 1 8 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.237 0.483 17577 6907 1 8 . 1 1 149 149 GLN C C 149 174.300 174.300 174.799 -0.499 17577 6908 1 8 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.730 -0.830 17577 6909 1 8 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.926 0.774 17577 6910 1 8 . 1 1 149 149 GLN H H 149 7.770 7.770 8.145 -0.375 17577 6911 1 8 . 1 1 150 150 GLU N N 150 117.800 117.800 122.174 -4.374 17577 6912 1 8 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.716 -0.246 17577 6913 1 8 . 1 1 150 150 GLU C C 150 175.800 175.800 175.472 0.328 17577 6914 1 8 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.133 1.167 17577 6915 1 8 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.309 0.091 17577 6916 1 8 . 1 1 150 150 GLU H H 150 8.570 8.570 8.467 0.103 17577 6917 1 8 . 1 1 151 151 GLU N N 151 119.200 119.200 122.468 -3.268 17577 6918 1 8 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.538 -0.278 17577 6919 1 8 . 1 1 151 151 GLU C C 151 176.000 176.000 175.743 0.257 17577 6920 1 8 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.586 2.914 17577 6921 1 8 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.459 0.741 17577 6922 1 8 . 1 1 151 151 GLU H H 151 8.000 8.000 8.736 -0.736 17577 6923 1 8 . 1 1 152 152 CYS N N 152 122.100 122.100 118.696 3.404 17577 6924 1 8 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.856 0.284 17577 6925 1 8 . 1 1 152 152 CYS C C 152 172.800 172.800 173.738 -0.938 17577 6926 1 8 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.863 -3.863 17577 6927 1 8 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.356 5.544 17577 6928 1 8 . 1 1 152 152 CYS H H 152 9.620 9.620 8.286 1.334 17577 6929 1 8 . 1 1 153 153 THR N N 153 118.000 118.000 114.314 3.686 17577 6930 1 8 . 1 1 153 153 THR HA H 153 4.860 4.860 4.665 0.195 17577 6931 1 8 . 1 1 153 153 THR C C 153 173.000 173.000 173.075 -0.075 17577 6932 1 8 . 1 1 153 153 THR CA C 153 59.800 59.800 60.266 -0.466 17577 6933 1 8 . 1 1 153 153 THR CB C 153 72.500 72.500 71.015 1.485 17577 6934 1 8 . 1 1 153 153 THR H H 153 8.490 8.490 8.181 0.309 17577 6935 1 8 . 1 1 154 154 VAL N N 154 114.900 114.900 119.918 -5.018 17577 6936 1 8 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.307 -0.187 17577 6937 1 8 . 1 1 154 154 VAL C C 154 175.500 175.500 174.948 0.552 17577 6938 1 8 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.067 -0.067 17577 6939 1 8 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.662 0.438 17577 6940 1 8 . 1 1 154 154 VAL H H 154 6.920 6.920 8.169 -1.249 17577 6941 1 8 . 1 1 155 155 ASP N N 155 124.100 124.100 121.746 2.354 17577 6942 1 8 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.636 -0.146 17577 6943 1 8 . 1 1 155 155 ASP C C 155 175.800 175.800 176.946 -1.146 17577 6944 1 8 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.606 2.094 17577 6945 1 8 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.104 0.196 17577 6946 1 8 . 1 1 155 155 ASP H H 155 8.390 8.390 8.233 0.157 17577 6947 1 8 . 1 1 156 156 GLU N N 156 121.000 121.000 119.065 1.935 17577 6948 1 8 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.196 -0.026 17577 6949 1 8 . 1 1 156 156 GLU C C 156 175.400 175.400 176.975 -1.575 17577 6950 1 8 . 1 1 156 156 GLU CA C 156 57.500 57.500 58.107 -0.607 17577 6951 1 8 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.952 1.448 17577 6952 1 8 . 1 1 156 156 GLU H H 156 8.450 8.450 8.598 -0.148 17577 6953 1 9 . 1 1 4 4 PRO C C 4 175.800 175.800 176.054 -0.254 17577 6954 1 9 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.260 2.040 17577 6955 1 9 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.570 0.430 17577 6956 1 9 . 1 1 5 5 ASP N N 5 119.400 119.400 120.352 -0.952 17577 6957 1 9 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.628 -0.118 17577 6958 1 9 . 1 1 5 5 ASP C C 5 177.100 177.100 177.348 -0.248 17577 6959 1 9 . 1 1 5 5 ASP CA C 5 54.800 54.800 53.495 1.305 17577 6960 1 9 . 1 1 5 5 ASP CB C 5 42.400 42.400 39.471 2.929 17577 6961 1 9 . 1 1 5 5 ASP H H 5 8.090 8.090 8.535 -0.445 17577 6962 1 9 . 1 1 6 6 ARG N N 6 124.800 124.800 123.634 1.166 17577 6963 1 9 . 1 1 6 6 ARG C C 6 177.300 177.300 177.618 -0.318 17577 6964 1 9 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.261 -0.261 17577 6965 1 9 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.475 1.025 17577 6966 1 9 . 1 1 6 6 ARG H H 6 8.590 8.590 8.015 0.575 17577 6967 1 9 . 1 1 7 7 SER N N 7 113.800 113.800 114.166 -0.366 17577 6968 1 9 . 1 1 7 7 SER CA C 7 62.400 62.400 60.949 1.451 17577 6969 1 9 . 1 1 7 7 SER CB C 7 63.800 63.800 62.697 1.103 17577 6970 1 9 . 1 1 7 7 SER H H 7 8.240 8.240 8.512 -0.272 17577 6971 1 9 . 1 1 8 8 GLU N N 8 120.200 120.200 120.192 0.008 17577 6972 1 9 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.147 0.183 17577 6973 1 9 . 1 1 8 8 GLU C C 8 177.100 177.100 178.324 -1.224 17577 6974 1 9 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.728 -0.028 17577 6975 1 9 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.528 1.372 17577 6976 1 9 . 1 1 8 8 GLU H H 8 8.030 8.030 7.554 0.476 17577 6977 1 9 . 1 1 9 9 ILE N N 9 112.800 112.800 118.188 -5.388 17577 6978 1 9 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.795 0.555 17577 6979 1 9 . 1 1 9 9 ILE C C 9 175.000 175.000 175.230 -0.230 17577 6980 1 9 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.848 1.552 17577 6981 1 9 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.061 1.939 17577 6982 1 9 . 1 1 9 9 ILE H H 9 7.530 7.530 7.294 0.236 17577 6983 1 9 . 1 1 10 10 ALA N N 10 120.400 120.400 121.847 -1.447 17577 6984 1 9 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.510 -0.440 17577 6985 1 9 . 1 1 10 10 ALA C C 10 177.500 177.500 177.114 0.386 17577 6986 1 9 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.753 0.247 17577 6987 1 9 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.268 1.132 17577 6988 1 9 . 1 1 10 10 ALA H H 10 7.410 7.410 8.104 -0.694 17577 6989 1 9 . 1 1 11 11 GLY N N 11 108.300 108.300 110.837 -2.537 17577 6990 1 9 . 1 1 11 11 GLY C C 11 173.700 173.700 173.634 0.066 17577 6991 1 9 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.906 0.394 17577 6992 1 9 . 1 1 11 11 GLY H H 11 8.780 8.780 8.318 0.462 17577 6993 1 9 . 1 1 12 12 LYS N N 12 122.300 122.300 121.220 1.080 17577 6994 1 9 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.826 0.004 17577 6995 1 9 . 1 1 12 12 LYS C C 12 175.900 175.900 174.482 1.418 17577 6996 1 9 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.517 1.783 17577 6997 1 9 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.626 0.374 17577 6998 1 9 . 1 1 12 12 LYS H H 12 8.740 8.740 7.655 1.085 17577 6999 1 9 . 1 1 13 13 TRP N N 13 126.000 126.000 126.864 -0.864 17577 7000 1 9 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.150 -0.520 17577 7001 1 9 . 1 1 13 13 TRP C C 13 173.300 173.300 174.532 -1.232 17577 7002 1 9 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.864 1.836 17577 7003 1 9 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.672 3.728 17577 7004 1 9 . 1 1 13 13 TRP H H 13 9.440 9.440 9.706 -0.266 17577 7005 1 9 . 1 1 14 14 TYR N N 14 118.300 118.300 123.668 -5.368 17577 7006 1 9 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.742 0.308 17577 7007 1 9 . 1 1 14 14 TYR C C 14 175.400 175.400 174.859 0.541 17577 7008 1 9 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.830 0.970 17577 7009 1 9 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.034 1.466 17577 7010 1 9 . 1 1 14 14 TYR H H 14 9.370 9.370 8.841 0.529 17577 7011 1 9 . 1 1 15 15 VAL N N 15 124.200 124.200 126.744 -2.544 17577 7012 1 9 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.293 -0.253 17577 7013 1 9 . 1 1 15 15 VAL C C 15 175.500 175.500 175.787 -0.287 17577 7014 1 9 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.845 -0.145 17577 7015 1 9 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.462 -0.062 17577 7016 1 9 . 1 1 15 15 VAL H H 15 9.000 9.000 9.239 -0.239 17577 7017 1 9 . 1 1 16 16 VAL N N 16 114.600 114.600 119.995 -5.395 17577 7018 1 9 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.602 0.048 17577 7019 1 9 . 1 1 16 16 VAL C C 16 175.900 175.900 173.983 1.917 17577 7020 1 9 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.034 1.166 17577 7021 1 9 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.136 0.464 17577 7022 1 9 . 1 1 16 16 VAL H H 16 8.420 8.420 8.842 -0.422 17577 7023 1 9 . 1 1 17 17 ALA N N 17 122.900 122.900 120.985 1.915 17577 7024 1 9 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.032 0.238 17577 7025 1 9 . 1 1 17 17 ALA C C 17 174.200 174.200 174.233 -0.033 17577 7026 1 9 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.363 0.737 17577 7027 1 9 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.417 2.683 17577 7028 1 9 . 1 1 17 17 ALA H H 17 7.590 7.590 7.513 0.078 17577 7029 1 9 . 1 1 18 18 LEU N N 18 118.000 118.000 122.679 -4.679 17577 7030 1 9 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.279 0.161 17577 7031 1 9 . 1 1 18 18 LEU C C 18 176.100 176.100 173.968 2.132 17577 7032 1 9 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.937 0.063 17577 7033 1 9 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.422 3.378 17577 7034 1 9 . 1 1 18 18 LEU H H 18 8.570 8.570 8.021 0.549 17577 7035 1 9 . 1 1 19 19 ALA N N 19 120.300 120.300 124.553 -4.253 17577 7036 1 9 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.606 -0.176 17577 7037 1 9 . 1 1 19 19 ALA C C 19 174.400 174.400 175.930 -1.530 17577 7038 1 9 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.141 2.559 17577 7039 1 9 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.685 0.415 17577 7040 1 9 . 1 1 19 19 ALA H H 19 8.360 8.360 9.081 -0.721 17577 7041 1 9 . 1 1 20 20 SER N N 20 114.200 114.200 113.063 1.137 17577 7042 1 9 . 1 1 20 20 SER HA H 20 3.890 3.890 4.717 -0.827 17577 7043 1 9 . 1 1 20 20 SER C C 20 170.700 170.700 173.110 -2.410 17577 7044 1 9 . 1 1 20 20 SER CA C 20 57.200 57.200 57.344 -0.144 17577 7045 1 9 . 1 1 20 20 SER CB C 20 64.200 64.200 65.237 -1.037 17577 7046 1 9 . 1 1 20 20 SER H H 20 7.450 7.450 8.300 -0.850 17577 7047 1 9 . 1 1 21 21 ASN N N 21 117.500 117.500 117.667 -0.167 17577 7048 1 9 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.990 0.230 17577 7049 1 9 . 1 1 21 21 ASN C C 21 176.500 176.500 175.010 1.490 17577 7050 1 9 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.400 -0.900 17577 7051 1 9 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.077 0.223 17577 7052 1 9 . 1 1 21 21 ASN H H 21 7.980 7.980 8.644 -0.664 17577 7053 1 9 . 1 1 22 22 THR N N 22 112.100 112.100 117.463 -5.363 17577 7054 1 9 . 1 1 22 22 THR HA H 22 4.420 4.420 4.187 0.233 17577 7055 1 9 . 1 1 22 22 THR C C 22 174.800 174.800 174.689 0.111 17577 7056 1 9 . 1 1 22 22 THR CA C 22 63.200 63.200 60.541 2.659 17577 7057 1 9 . 1 1 22 22 THR CB C 22 71.800 71.800 69.337 2.463 17577 7058 1 9 . 1 1 22 22 THR H H 22 8.140 8.140 7.508 0.632 17577 7059 1 9 . 1 1 23 23 GLU N N 23 122.700 122.700 129.860 -7.160 17577 7060 1 9 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.810 0.940 17577 7061 1 9 . 1 1 23 23 GLU C C 23 178.800 178.800 177.746 1.054 17577 7062 1 9 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.496 1.804 17577 7063 1 9 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.249 1.051 17577 7064 1 9 . 1 1 23 23 GLU H H 23 8.980 8.980 8.672 0.308 17577 7065 1 9 . 1 1 24 24 PHE N N 24 118.200 118.200 118.555 -0.355 17577 7066 1 9 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.225 -0.245 17577 7067 1 9 . 1 1 24 24 PHE C C 24 175.900 175.900 177.767 -1.867 17577 7068 1 9 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.620 3.280 17577 7069 1 9 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.605 3.095 17577 7070 1 9 . 1 1 24 24 PHE H H 24 8.610 8.610 6.612 1.998 17577 7071 1 9 . 1 1 25 25 PHE N N 25 119.000 119.000 119.799 -0.799 17577 7072 1 9 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.344 -0.504 17577 7073 1 9 . 1 1 25 25 PHE C C 25 176.500 176.500 177.592 -1.092 17577 7074 1 9 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.721 2.079 17577 7075 1 9 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.091 1.309 17577 7076 1 9 . 1 1 25 25 PHE H H 25 7.730 7.730 8.151 -0.421 17577 7077 1 9 . 1 1 26 26 LEU N N 26 115.900 115.900 118.359 -2.459 17577 7078 1 9 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.182 -0.452 17577 7079 1 9 . 1 1 26 26 LEU C C 26 179.200 179.200 178.807 0.393 17577 7080 1 9 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.342 0.358 17577 7081 1 9 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.240 0.760 17577 7082 1 9 . 1 1 26 26 LEU H H 26 8.380 8.380 7.639 0.741 17577 7083 1 9 . 1 1 27 27 ARG N N 27 116.900 116.900 119.664 -2.764 17577 7084 1 9 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.985 0.125 17577 7085 1 9 . 1 1 27 27 ARG C C 27 178.400 178.400 178.101 0.299 17577 7086 1 9 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.524 -0.324 17577 7087 1 9 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.336 1.764 17577 7088 1 9 . 1 1 27 27 ARG H H 27 7.720 7.720 8.302 -0.582 17577 7089 1 9 . 1 1 28 28 GLU N N 28 116.000 116.000 117.325 -1.325 17577 7090 1 9 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.288 0.072 17577 7091 1 9 . 1 1 28 28 GLU C C 28 178.200 178.200 178.807 -0.607 17577 7092 1 9 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.531 -1.831 17577 7093 1 9 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.066 0.834 17577 7094 1 9 . 1 1 28 28 GLU H H 28 7.660 7.660 7.860 -0.200 17577 7095 1 9 . 1 1 29 29 LYS N N 29 120.700 120.700 119.906 0.794 17577 7096 1 9 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.175 -0.035 17577 7097 1 9 . 1 1 29 29 LYS C C 29 177.900 177.900 177.989 -0.089 17577 7098 1 9 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.503 1.397 17577 7099 1 9 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.270 -0.870 17577 7100 1 9 . 1 1 29 29 LYS H H 29 7.910 7.910 8.755 -0.845 17577 7101 1 9 . 1 1 30 30 ASP N N 30 118.800 118.800 117.108 1.692 17577 7102 1 9 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.548 -0.158 17577 7103 1 9 . 1 1 30 30 ASP C C 30 177.000 177.000 177.241 -0.241 17577 7104 1 9 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.087 1.113 17577 7105 1 9 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.059 -0.459 17577 7106 1 9 . 1 1 30 30 ASP H H 30 8.390 8.390 7.901 0.489 17577 7107 1 9 . 1 1 31 31 LYS N N 31 118.000 118.000 117.131 0.869 17577 7108 1 9 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.346 0.044 17577 7109 1 9 . 1 1 31 31 LYS C C 31 177.200 177.200 177.134 0.066 17577 7110 1 9 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.614 0.386 17577 7111 1 9 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.890 1.310 17577 7112 1 9 . 1 1 31 31 LYS H H 31 8.110 8.110 8.146 -0.036 17577 7113 1 9 . 1 1 32 32 MET N N 32 120.300 120.300 117.440 2.860 17577 7114 1 9 . 1 1 32 32 MET HA H 32 4.520 4.520 4.645 -0.125 17577 7115 1 9 . 1 1 32 32 MET C C 32 176.200 176.200 175.537 0.663 17577 7116 1 9 . 1 1 32 32 MET CA C 32 58.000 58.000 55.529 2.471 17577 7117 1 9 . 1 1 32 32 MET CB C 32 33.500 33.500 34.126 -0.626 17577 7118 1 9 . 1 1 32 32 MET H H 32 7.240 7.240 7.559 -0.319 17577 7119 1 9 . 1 1 33 33 LYS N N 33 120.200 120.200 118.118 2.082 17577 7120 1 9 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.613 0.087 17577 7121 1 9 . 1 1 33 33 LYS C C 33 173.000 173.000 176.885 -3.885 17577 7122 1 9 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.862 1.238 17577 7123 1 9 . 1 1 33 33 LYS CB C 33 39.100 39.100 35.567 3.533 17577 7124 1 9 . 1 1 33 33 LYS H H 33 8.560 8.560 8.228 0.332 17577 7125 1 9 . 1 1 34 34 MET N N 34 118.300 118.300 117.968 0.332 17577 7126 1 9 . 1 1 34 34 MET HA H 34 4.080 4.080 4.369 -0.289 17577 7127 1 9 . 1 1 34 34 MET C C 34 173.800 173.800 174.949 -1.149 17577 7128 1 9 . 1 1 34 34 MET CA C 34 59.500 59.500 56.993 2.507 17577 7129 1 9 . 1 1 34 34 MET CB C 34 35.700 35.700 33.067 2.633 17577 7130 1 9 . 1 1 34 34 MET H H 34 8.370 8.370 8.154 0.216 17577 7131 1 9 . 1 1 35 35 ALA N N 35 126.000 126.000 124.806 1.194 17577 7132 1 9 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.296 -0.036 17577 7133 1 9 . 1 1 35 35 ALA C C 35 176.100 176.100 176.446 -0.346 17577 7134 1 9 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.246 0.354 17577 7135 1 9 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.455 1.345 17577 7136 1 9 . 1 1 35 35 ALA H H 35 7.360 7.360 8.605 -1.245 17577 7137 1 9 . 1 1 36 36 MET N N 36 117.100 117.100 114.957 2.143 17577 7138 1 9 . 1 1 36 36 MET HA H 36 5.280 5.280 5.389 -0.109 17577 7139 1 9 . 1 1 36 36 MET C C 36 172.600 172.600 174.472 -1.872 17577 7140 1 9 . 1 1 36 36 MET CA C 36 56.100 56.100 53.123 2.977 17577 7141 1 9 . 1 1 36 36 MET CB C 36 39.600 39.600 36.405 3.195 17577 7142 1 9 . 1 1 36 36 MET H H 36 8.920 8.920 9.005 -0.085 17577 7143 1 9 . 1 1 37 37 ALA N N 37 121.700 121.700 121.152 0.548 17577 7144 1 9 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.943 0.487 17577 7145 1 9 . 1 1 37 37 ALA C C 37 175.400 175.400 174.634 0.766 17577 7146 1 9 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.858 -0.658 17577 7147 1 9 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.842 1.558 17577 7148 1 9 . 1 1 37 37 ALA H H 37 8.980 8.980 9.242 -0.262 17577 7149 1 9 . 1 1 38 38 ARG N N 38 120.400 120.400 118.558 1.842 17577 7150 1 9 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.785 0.365 17577 7151 1 9 . 1 1 38 38 ARG C C 38 174.900 174.900 173.598 1.302 17577 7152 1 9 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.038 0.162 17577 7153 1 9 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.327 1.273 17577 7154 1 9 . 1 1 38 38 ARG H H 38 9.180 9.180 7.918 1.262 17577 7155 1 9 . 1 1 39 39 ILE N N 39 126.000 126.000 123.033 2.967 17577 7156 1 9 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.937 -0.017 17577 7157 1 9 . 1 1 39 39 ILE C C 39 175.100 175.100 174.286 0.814 17577 7158 1 9 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.848 1.352 17577 7159 1 9 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.578 0.822 17577 7160 1 9 . 1 1 39 39 ILE H H 39 8.930 8.930 8.395 0.535 17577 7161 1 9 . 1 1 40 40 SER N N 40 121.700 121.700 120.624 1.076 17577 7162 1 9 . 1 1 40 40 SER HA H 40 4.630 4.630 4.622 0.008 17577 7163 1 9 . 1 1 40 40 SER CA C 40 57.900 57.900 57.070 0.830 17577 7164 1 9 . 1 1 40 40 SER CB C 40 66.300 66.300 66.210 0.090 17577 7165 1 9 . 1 1 40 40 SER H H 40 8.780 8.780 7.903 0.877 17577 7166 1 9 . 1 1 41 41 PHE N N 41 122.300 122.300 121.985 0.315 17577 7167 1 9 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.718 -0.068 17577 7168 1 9 . 1 1 41 41 PHE C C 41 175.900 175.900 176.050 -0.150 17577 7169 1 9 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.628 2.472 17577 7170 1 9 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.141 2.559 17577 7171 1 9 . 1 1 41 41 PHE H H 41 9.080 9.080 8.934 0.146 17577 7172 1 9 . 1 1 42 42 LEU N N 42 125.100 125.100 123.988 1.112 17577 7173 1 9 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.099 0.531 17577 7174 1 9 . 1 1 42 42 LEU C C 42 176.400 176.400 177.549 -1.149 17577 7175 1 9 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.288 -0.788 17577 7176 1 9 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.366 1.434 17577 7177 1 9 . 1 1 42 42 LEU H H 42 8.540 8.540 7.946 0.594 17577 7178 1 9 . 1 1 43 43 GLY N N 43 108.700 108.700 103.151 5.549 17577 7179 1 9 . 1 1 43 43 GLY C C 43 173.700 173.700 174.060 -0.360 17577 7180 1 9 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.972 0.928 17577 7181 1 9 . 1 1 43 43 GLY H H 43 8.310 8.310 7.895 0.415 17577 7182 1 9 . 1 1 44 44 GLU N N 44 120.300 120.300 120.422 -0.122 17577 7183 1 9 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.178 -0.068 17577 7184 1 9 . 1 1 44 44 GLU C C 44 177.200 177.200 176.647 0.553 17577 7185 1 9 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.149 0.451 17577 7186 1 9 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.687 1.113 17577 7187 1 9 . 1 1 44 44 GLU H H 44 8.900 8.900 8.831 0.069 17577 7188 1 9 . 1 1 45 45 ASP N N 45 115.200 115.200 113.187 2.013 17577 7189 1 9 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.784 0.086 17577 7190 1 9 . 1 1 45 45 ASP C C 45 174.500 174.500 175.864 -1.364 17577 7191 1 9 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.492 1.308 17577 7192 1 9 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.629 2.071 17577 7193 1 9 . 1 1 45 45 ASP H H 45 8.500 8.500 8.239 0.261 17577 7194 1 9 . 1 1 46 46 GLU N N 46 117.800 117.800 119.321 -1.521 17577 7195 1 9 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.707 0.863 17577 7196 1 9 . 1 1 46 46 GLU C C 46 174.800 174.800 174.194 0.606 17577 7197 1 9 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.191 0.109 17577 7198 1 9 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.971 2.029 17577 7199 1 9 . 1 1 46 46 GLU H H 46 7.450 7.450 8.374 -0.924 17577 7200 1 9 . 1 1 47 47 LEU N N 47 124.200 124.200 124.781 -0.581 17577 7201 1 9 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.049 -0.169 17577 7202 1 9 . 1 1 47 47 LEU C C 47 173.900 173.900 174.843 -0.943 17577 7203 1 9 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.003 2.297 17577 7204 1 9 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.853 0.247 17577 7205 1 9 . 1 1 47 47 LEU H H 47 9.160 9.160 9.475 -0.315 17577 7206 1 9 . 1 1 48 48 LYS N N 48 123.800 123.800 123.266 0.534 17577 7207 1 9 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.511 0.439 17577 7208 1 9 . 1 1 48 48 LYS C C 48 174.300 174.300 174.455 -0.155 17577 7209 1 9 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.512 0.488 17577 7210 1 9 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.282 1.518 17577 7211 1 9 . 1 1 48 48 LYS H H 48 9.020 9.020 8.431 0.589 17577 7212 1 9 . 1 1 49 49 VAL N N 49 126.600 126.600 126.356 0.244 17577 7213 1 9 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.778 -0.168 17577 7214 1 9 . 1 1 49 49 VAL C C 49 173.800 173.800 173.782 0.018 17577 7215 1 9 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.648 1.652 17577 7216 1 9 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.282 0.018 17577 7217 1 9 . 1 1 49 49 VAL H H 49 8.920 8.920 8.564 0.356 17577 7218 1 9 . 1 1 50 50 SER N N 50 120.900 120.900 119.620 1.280 17577 7219 1 9 . 1 1 50 50 SER HA H 50 4.860 4.860 4.198 0.662 17577 7220 1 9 . 1 1 50 50 SER CA C 50 57.300 57.300 55.502 1.798 17577 7221 1 9 . 1 1 50 50 SER CB C 50 65.100 65.100 65.320 -0.220 17577 7222 1 9 . 1 1 50 50 SER H H 50 8.360 8.360 8.292 0.068 17577 7223 1 9 . 1 1 51 51 TYR N N 51 122.000 122.000 123.458 -1.458 17577 7224 1 9 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.945 -0.095 17577 7225 1 9 . 1 1 51 51 TYR C C 51 176.800 176.800 174.088 2.712 17577 7226 1 9 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.889 2.311 17577 7227 1 9 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.174 1.426 17577 7228 1 9 . 1 1 51 51 TYR H H 51 8.990 8.990 7.761 1.230 17577 7229 1 9 . 1 1 52 52 ALA N N 52 124.000 124.000 125.424 -1.424 17577 7230 1 9 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.877 -0.007 17577 7231 1 9 . 1 1 52 52 ALA C C 52 174.800 174.800 175.157 -0.357 17577 7232 1 9 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.992 2.008 17577 7233 1 9 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.131 0.669 17577 7234 1 9 . 1 1 52 52 ALA H H 52 8.640 8.640 9.449 -0.809 17577 7235 1 9 . 1 1 53 53 VAL N N 53 124.300 124.300 124.766 -0.466 17577 7236 1 9 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.717 0.053 17577 7237 1 9 . 1 1 53 53 VAL C C 53 174.200 174.200 173.863 0.337 17577 7238 1 9 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.403 0.897 17577 7239 1 9 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.910 1.590 17577 7240 1 9 . 1 1 53 53 VAL H H 53 9.120 9.120 8.100 1.020 17577 7241 1 9 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.617 0.083 17577 7242 1 9 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.056 2.644 17577 7243 1 9 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.380 0.520 17577 7244 1 9 . 1 1 55 55 LYS N N 55 121.100 121.100 122.633 -1.533 17577 7245 1 9 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.704 0.226 17577 7246 1 9 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.378 0.222 17577 7247 1 9 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.295 0.105 17577 7248 1 9 . 1 1 55 55 LYS H H 55 8.040 8.040 8.256 -0.216 17577 7249 1 9 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.256 0.024 17577 7250 1 9 . 1 1 56 56 PRO C C 56 177.200 177.200 176.817 0.383 17577 7251 1 9 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.976 1.424 17577 7252 1 9 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.775 0.525 17577 7253 1 9 . 1 1 57 57 ASN N N 57 114.200 114.200 115.032 -0.832 17577 7254 1 9 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.763 -0.043 17577 7255 1 9 . 1 1 57 57 ASN C C 57 174.900 174.900 175.302 -0.402 17577 7256 1 9 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.709 1.292 17577 7257 1 9 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.608 0.692 17577 7258 1 9 . 1 1 57 57 ASN H H 57 8.370 8.370 8.054 0.316 17577 7259 1 9 . 1 1 58 58 GLY N N 58 106.500 106.500 106.886 -0.386 17577 7260 1 9 . 1 1 58 58 GLY C C 58 172.000 172.000 172.878 -0.878 17577 7261 1 9 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.654 2.346 17577 7262 1 9 . 1 1 58 58 GLY H H 58 7.810 7.810 8.410 -0.600 17577 7263 1 9 . 1 1 60 60 ARG N N 60 132.300 132.300 127.407 4.893 17577 7264 1 9 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.691 -0.111 17577 7265 1 9 . 1 1 60 60 ARG C C 60 174.000 174.000 174.200 -0.200 17577 7266 1 9 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.326 1.174 17577 7267 1 9 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.536 -0.136 17577 7268 1 9 . 1 1 60 60 ARG H H 60 9.120 9.120 8.345 0.775 17577 7269 1 9 . 1 1 61 61 LYS N N 61 126.200 126.200 125.082 1.118 17577 7270 1 9 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.041 0.479 17577 7271 1 9 . 1 1 61 61 LYS C C 61 175.900 175.900 175.087 0.813 17577 7272 1 9 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.190 0.910 17577 7273 1 9 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.274 0.826 17577 7274 1 9 . 1 1 61 61 LYS H H 61 8.500 8.500 8.458 0.042 17577 7275 1 9 . 1 1 62 62 TRP N N 62 121.900 121.900 125.357 -3.457 17577 7276 1 9 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.947 -0.087 17577 7277 1 9 . 1 1 62 62 TRP C C 62 171.900 171.900 173.599 -1.699 17577 7278 1 9 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.381 1.319 17577 7279 1 9 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.511 0.789 17577 7280 1 9 . 1 1 62 62 TRP H H 62 8.070 8.070 8.894 -0.824 17577 7281 1 9 . 1 1 63 63 GLU N N 63 117.100 117.100 119.850 -2.750 17577 7282 1 9 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.057 1.553 17577 7283 1 9 . 1 1 63 63 GLU C C 63 175.500 175.500 174.215 1.285 17577 7284 1 9 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.279 0.921 17577 7285 1 9 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.387 2.713 17577 7286 1 9 . 1 1 63 63 GLU H H 63 8.450 8.450 7.899 0.551 17577 7287 1 9 . 1 1 64 64 THR N N 64 117.400 117.400 115.539 1.861 17577 7288 1 9 . 1 1 64 64 THR HA H 64 4.600 4.600 4.104 0.496 17577 7289 1 9 . 1 1 64 64 THR C C 64 171.800 171.800 172.473 -0.673 17577 7290 1 9 . 1 1 64 64 THR CA C 64 63.000 63.000 61.000 2.000 17577 7291 1 9 . 1 1 64 64 THR CB C 64 72.700 72.700 72.332 0.368 17577 7292 1 9 . 1 1 64 64 THR H H 64 8.980 8.980 8.035 0.945 17577 7293 1 9 . 1 1 65 65 THR N N 65 119.100 119.100 120.567 -1.467 17577 7294 1 9 . 1 1 65 65 THR HA H 65 5.260 5.260 4.550 0.710 17577 7295 1 9 . 1 1 65 65 THR C C 65 173.700 173.700 172.980 0.720 17577 7296 1 9 . 1 1 65 65 THR CA C 65 62.300 62.300 62.766 -0.466 17577 7297 1 9 . 1 1 65 65 THR CB C 65 71.100 71.100 69.601 1.499 17577 7298 1 9 . 1 1 65 65 THR H H 65 8.380 8.380 8.402 -0.022 17577 7299 1 9 . 1 1 66 66 PHE N N 66 123.400 123.400 125.606 -2.206 17577 7300 1 9 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.706 0.124 17577 7301 1 9 . 1 1 66 66 PHE C C 66 174.200 174.200 173.703 0.497 17577 7302 1 9 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.998 1.102 17577 7303 1 9 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.424 3.176 17577 7304 1 9 . 1 1 66 66 PHE H H 66 9.590 9.590 9.521 0.069 17577 7305 1 9 . 1 1 67 67 LYS N N 67 119.700 119.700 121.818 -2.118 17577 7306 1 9 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.932 0.588 17577 7307 1 9 . 1 1 67 67 LYS C C 67 176.500 176.500 175.565 0.935 17577 7308 1 9 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.444 1.056 17577 7309 1 9 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.139 1.161 17577 7310 1 9 . 1 1 67 67 LYS H H 67 8.880 8.880 8.705 0.175 17577 7311 1 9 . 1 1 68 68 LYS N N 68 129.100 129.100 125.147 3.953 17577 7312 1 9 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.389 0.491 17577 7313 1 9 . 1 1 68 68 LYS C C 68 177.400 177.400 176.686 0.714 17577 7314 1 9 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.407 1.293 17577 7315 1 9 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.003 2.297 17577 7316 1 9 . 1 1 68 68 LYS H H 68 8.850 8.850 8.640 0.210 17577 7317 1 9 . 1 1 69 69 THR N N 69 118.500 118.500 119.258 -0.758 17577 7318 1 9 . 1 1 69 69 THR HA H 69 4.710 4.710 4.608 0.102 17577 7319 1 9 . 1 1 69 69 THR C C 69 174.600 174.600 174.178 0.422 17577 7320 1 9 . 1 1 69 69 THR CA C 69 61.900 61.900 60.590 1.310 17577 7321 1 9 . 1 1 69 69 THR CB C 69 70.800 70.800 71.057 -0.257 17577 7322 1 9 . 1 1 69 69 THR H H 69 8.720 8.720 8.577 0.143 17577 7323 1 9 . 1 1 70 70 SER N N 70 111.800 111.800 116.900 -5.100 17577 7324 1 9 . 1 1 70 70 SER HA H 70 4.420 4.420 4.628 -0.207 17577 7325 1 9 . 1 1 70 70 SER C C 70 174.500 174.500 175.326 -0.826 17577 7326 1 9 . 1 1 70 70 SER CA C 70 59.300 59.300 57.671 1.629 17577 7327 1 9 . 1 1 70 70 SER CB C 70 64.400 64.400 63.088 1.312 17577 7328 1 9 . 1 1 70 70 SER H H 70 8.350 8.350 8.566 -0.216 17577 7329 1 9 . 1 1 71 71 ASP N N 71 121.100 121.100 122.314 -1.214 17577 7330 1 9 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.267 0.113 17577 7331 1 9 . 1 1 71 71 ASP C C 71 175.600 175.600 175.969 -0.369 17577 7332 1 9 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.574 -0.474 17577 7333 1 9 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.102 1.898 17577 7334 1 9 . 1 1 71 71 ASP H H 71 7.960 7.960 7.619 0.341 17577 7335 1 9 . 1 1 72 72 ASP N N 72 121.000 121.000 117.529 3.471 17577 7336 1 9 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.566 -0.116 17577 7337 1 9 . 1 1 72 72 ASP C C 72 175.900 175.900 175.819 0.081 17577 7338 1 9 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.047 2.053 17577 7339 1 9 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.638 1.462 17577 7340 1 9 . 1 1 72 72 ASP H H 72 8.500 8.500 7.852 0.648 17577 7341 1 9 . 1 1 73 73 GLY N N 73 109.100 109.100 113.881 -4.781 17577 7342 1 9 . 1 1 73 73 GLY C C 73 172.800 172.800 174.293 -1.493 17577 7343 1 9 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.728 -0.228 17577 7344 1 9 . 1 1 73 73 GLY H H 73 8.200 8.200 8.187 0.013 17577 7345 1 9 . 1 1 74 74 GLU N N 74 123.300 123.300 125.775 -2.475 17577 7346 1 9 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.549 0.221 17577 7347 1 9 . 1 1 74 74 GLU C C 74 173.600 173.600 174.552 -0.952 17577 7348 1 9 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.814 -0.414 17577 7349 1 9 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.066 0.534 17577 7350 1 9 . 1 1 74 74 GLU H H 74 8.780 8.780 8.245 0.535 17577 7351 1 9 . 1 1 75 75 VAL N N 75 123.500 123.500 121.602 1.898 17577 7352 1 9 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.203 0.837 17577 7353 1 9 . 1 1 75 75 VAL C C 75 174.100 174.100 173.832 0.268 17577 7354 1 9 . 1 1 75 75 VAL CA C 75 62.500 62.500 61.049 1.451 17577 7355 1 9 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.879 -1.879 17577 7356 1 9 . 1 1 75 75 VAL H H 75 7.870 7.870 7.585 0.285 17577 7357 1 9 . 1 1 76 76 TYR N N 76 125.000 125.000 122.258 2.742 17577 7358 1 9 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.344 -0.104 17577 7359 1 9 . 1 1 76 76 TYR C C 76 174.300 174.300 175.481 -1.181 17577 7360 1 9 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.330 1.470 17577 7361 1 9 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.362 2.338 17577 7362 1 9 . 1 1 76 76 TYR H H 76 9.360 9.360 8.360 1.000 17577 7363 1 9 . 1 1 77 77 TYR N N 77 120.500 120.500 118.108 2.392 17577 7364 1 9 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.421 0.459 17577 7365 1 9 . 1 1 77 77 TYR C C 77 174.600 174.600 173.516 1.084 17577 7366 1 9 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.285 1.715 17577 7367 1 9 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.809 2.791 17577 7368 1 9 . 1 1 77 77 TYR H H 77 9.480 9.480 9.356 0.124 17577 7369 1 9 . 1 1 78 78 SER N N 78 125.100 125.100 118.975 6.125 17577 7370 1 9 . 1 1 78 78 SER HA H 78 4.830 4.830 4.285 0.545 17577 7371 1 9 . 1 1 78 78 SER C C 78 174.300 174.300 174.139 0.161 17577 7372 1 9 . 1 1 78 78 SER CA C 78 55.600 55.600 55.352 0.248 17577 7373 1 9 . 1 1 78 78 SER CB C 78 64.400 64.400 62.992 1.408 17577 7374 1 9 . 1 1 78 78 SER H H 78 8.570 8.570 8.144 0.426 17577 7375 1 9 . 1 1 79 79 GLU N N 79 130.000 130.000 127.431 2.569 17577 7376 1 9 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.118 -0.138 17577 7377 1 9 . 1 1 79 79 GLU C C 79 178.600 178.600 177.688 0.912 17577 7378 1 9 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.594 0.506 17577 7379 1 9 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.469 1.031 17577 7380 1 9 . 1 1 79 79 GLU H H 79 8.670 8.670 8.620 0.050 17577 7381 1 9 . 1 1 80 80 GLU N N 80 118.900 118.900 116.538 2.362 17577 7382 1 9 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.220 -0.220 17577 7383 1 9 . 1 1 80 80 GLU C C 80 177.700 177.700 177.000 0.700 17577 7384 1 9 . 1 1 80 80 GLU CA C 80 60.000 60.000 57.986 2.014 17577 7385 1 9 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.348 1.152 17577 7386 1 9 . 1 1 80 80 GLU H H 80 8.560 8.560 8.430 0.130 17577 7387 1 9 . 1 1 81 81 ALA N N 81 117.600 117.600 120.436 -2.836 17577 7388 1 9 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.500 -0.110 17577 7389 1 9 . 1 1 81 81 ALA C C 81 176.000 176.000 176.801 -0.801 17577 7390 1 9 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.005 1.395 17577 7391 1 9 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.853 0.747 17577 7392 1 9 . 1 1 81 81 ALA H H 81 7.410 7.410 7.237 0.173 17577 7393 1 9 . 1 1 82 82 LYS N N 82 118.300 118.300 117.115 1.185 17577 7394 1 9 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.886 -0.016 17577 7395 1 9 . 1 1 82 82 LYS C C 82 175.100 175.100 174.487 0.613 17577 7396 1 9 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.285 -0.085 17577 7397 1 9 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.646 0.654 17577 7398 1 9 . 1 1 82 82 LYS H H 82 7.830 7.830 7.895 -0.065 17577 7399 1 9 . 1 1 83 83 LYS N N 83 118.400 118.400 119.888 -1.488 17577 7400 1 9 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.233 0.207 17577 7401 1 9 . 1 1 83 83 LYS C C 83 172.400 172.400 174.786 -2.386 17577 7402 1 9 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.353 0.147 17577 7403 1 9 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.081 3.019 17577 7404 1 9 . 1 1 83 83 LYS H H 83 7.150 7.150 7.381 -0.231 17577 7405 1 9 . 1 1 84 84 LYS N N 84 130.000 130.000 126.965 3.035 17577 7406 1 9 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.621 0.059 17577 7407 1 9 . 1 1 84 84 LYS C C 84 174.900 174.900 174.756 0.144 17577 7408 1 9 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.791 0.909 17577 7409 1 9 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.486 1.514 17577 7410 1 9 . 1 1 84 84 LYS H H 84 9.540 9.540 8.971 0.569 17577 7411 1 9 . 1 1 85 85 VAL N N 85 121.100 121.100 119.730 1.370 17577 7412 1 9 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.273 -0.293 17577 7413 1 9 . 1 1 85 85 VAL C C 85 173.000 173.000 174.612 -1.612 17577 7414 1 9 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.591 1.809 17577 7415 1 9 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.963 1.737 17577 7416 1 9 . 1 1 85 85 VAL H H 85 9.510 9.510 8.719 0.791 17577 7417 1 9 . 1 1 86 86 GLU N N 86 123.700 123.700 126.028 -2.328 17577 7418 1 9 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.834 0.486 17577 7419 1 9 . 1 1 86 86 GLU C C 86 175.800 175.800 175.000 0.800 17577 7420 1 9 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.992 0.708 17577 7421 1 9 . 1 1 86 86 GLU CB C 86 34.200 34.200 32.812 1.388 17577 7422 1 9 . 1 1 86 86 GLU H H 86 8.830 8.830 8.305 0.525 17577 7423 1 9 . 1 1 87 87 VAL N N 87 125.400 125.400 124.840 0.560 17577 7424 1 9 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.084 0.086 17577 7425 1 9 . 1 1 87 87 VAL C C 87 176.000 176.000 175.013 0.987 17577 7426 1 9 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.538 -0.039 17577 7427 1 9 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.794 0.206 17577 7428 1 9 . 1 1 87 87 VAL H H 87 8.760 8.760 9.091 -0.331 17577 7429 1 9 . 1 1 88 88 LEU N N 88 128.000 128.000 130.178 -2.178 17577 7430 1 9 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.560 -0.170 17577 7431 1 9 . 1 1 88 88 LEU C C 88 177.200 177.200 176.591 0.609 17577 7432 1 9 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.461 1.539 17577 7433 1 9 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.887 1.313 17577 7434 1 9 . 1 1 88 88 LEU H H 88 8.990 8.990 8.544 0.446 17577 7435 1 9 . 1 1 89 89 ASP N N 89 113.900 113.900 116.475 -2.575 17577 7436 1 9 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.757 0.023 17577 7437 1 9 . 1 1 89 89 ASP C C 89 173.900 173.900 173.942 -0.042 17577 7438 1 9 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.801 1.099 17577 7439 1 9 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.915 2.685 17577 7440 1 9 . 1 1 89 89 ASP H H 89 7.140 7.140 7.748 -0.608 17577 7441 1 9 . 1 1 90 90 THR N N 90 119.500 119.500 118.794 0.706 17577 7442 1 9 . 1 1 90 90 THR HA H 90 3.800 3.800 4.638 -0.838 17577 7443 1 9 . 1 1 90 90 THR C C 90 169.800 169.800 173.062 -3.262 17577 7444 1 9 . 1 1 90 90 THR CA C 90 61.500 61.500 61.742 -0.242 17577 7445 1 9 . 1 1 90 90 THR CB C 90 69.200 69.200 70.281 -1.081 17577 7446 1 9 . 1 1 90 90 THR H H 90 8.070 8.070 8.300 -0.230 17577 7447 1 9 . 1 1 91 91 ASP N N 91 122.400 122.400 128.437 -6.037 17577 7448 1 9 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.631 0.219 17577 7449 1 9 . 1 1 91 91 ASP C C 91 176.800 176.800 175.954 0.846 17577 7450 1 9 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.123 -0.223 17577 7451 1 9 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.220 0.680 17577 7452 1 9 . 1 1 91 91 ASP H H 91 6.790 6.790 8.600 -1.810 17577 7453 1 9 . 1 1 92 92 TYR N N 92 115.100 115.100 114.668 0.432 17577 7454 1 9 . 1 1 92 92 TYR HA H 92 3.510 3.510 4.029 -0.519 17577 7455 1 9 . 1 1 92 92 TYR C C 92 173.900 173.900 174.403 -0.503 17577 7456 1 9 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.519 2.781 17577 7457 1 9 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.312 0.288 17577 7458 1 9 . 1 1 92 92 TYR H H 92 9.420 9.420 8.476 0.944 17577 7459 1 9 . 1 1 93 93 LYS N N 93 112.300 112.300 114.736 -2.436 17577 7460 1 9 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.348 0.322 17577 7461 1 9 . 1 1 93 93 LYS C C 93 175.600 175.600 175.762 -0.162 17577 7462 1 9 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.607 2.893 17577 7463 1 9 . 1 1 93 93 LYS CB C 93 37.800 37.800 35.066 2.734 17577 7464 1 9 . 1 1 93 93 LYS H H 93 8.080 8.080 8.342 -0.262 17577 7465 1 9 . 1 1 94 94 SER N N 94 120.300 120.300 113.833 6.467 17577 7466 1 9 . 1 1 94 94 SER HA H 94 4.820 4.820 4.506 0.314 17577 7467 1 9 . 1 1 94 94 SER CA C 94 61.200 61.200 59.040 2.160 17577 7468 1 9 . 1 1 94 94 SER CB C 94 68.800 68.800 65.670 3.130 17577 7469 1 9 . 1 1 94 94 SER H H 94 11.420 11.420 8.439 2.981 17577 7470 1 9 . 1 1 95 95 TYR N N 95 122.700 122.700 115.789 6.911 17577 7471 1 9 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.214 0.936 17577 7472 1 9 . 1 1 95 95 TYR C C 95 173.500 173.500 173.523 -0.023 17577 7473 1 9 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.400 2.200 17577 7474 1 9 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.816 1.784 17577 7475 1 9 . 1 1 95 95 TYR H H 95 8.490 8.490 7.089 1.401 17577 7476 1 9 . 1 1 96 96 ALA N N 96 120.900 120.900 120.805 0.095 17577 7477 1 9 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.920 -0.370 17577 7478 1 9 . 1 1 96 96 ALA C C 96 174.700 174.700 174.823 -0.123 17577 7479 1 9 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.834 1.667 17577 7480 1 9 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.772 0.928 17577 7481 1 9 . 1 1 96 96 ALA H H 96 9.010 9.010 8.609 0.401 17577 7482 1 9 . 1 1 97 97 VAL N N 97 121.700 121.700 122.882 -1.182 17577 7483 1 9 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.110 -0.090 17577 7484 1 9 . 1 1 97 97 VAL C C 97 174.300 174.300 174.609 -0.309 17577 7485 1 9 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.404 1.796 17577 7486 1 9 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.292 0.308 17577 7487 1 9 . 1 1 97 97 VAL H H 97 9.310 9.310 8.871 0.439 17577 7488 1 9 . 1 1 98 98 ILE N N 98 129.600 129.600 123.916 5.684 17577 7489 1 9 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.623 0.427 17577 7490 1 9 . 1 1 98 98 ILE C C 98 174.000 174.000 174.238 -0.238 17577 7491 1 9 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.733 -0.533 17577 7492 1 9 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.441 0.260 17577 7493 1 9 . 1 1 98 98 ILE H H 98 9.550 9.550 8.237 1.313 17577 7494 1 9 . 1 1 99 99 TYR N N 99 128.100 128.100 126.645 1.455 17577 7495 1 9 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.806 0.454 17577 7496 1 9 . 1 1 99 99 TYR C C 99 173.700 173.700 174.142 -0.442 17577 7497 1 9 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.232 0.468 17577 7498 1 9 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.510 2.690 17577 7499 1 9 . 1 1 99 99 TYR H H 99 9.550 9.550 8.130 1.420 17577 7500 1 9 . 1 1 100 100 ALA N N 100 134.400 134.400 131.032 3.368 17577 7501 1 9 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.633 0.087 17577 7502 1 9 . 1 1 100 100 ALA C C 100 175.500 175.500 175.753 -0.253 17577 7503 1 9 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.771 1.629 17577 7504 1 9 . 1 1 100 100 ALA CB C 100 24.900 24.900 22.037 2.863 17577 7505 1 9 . 1 1 100 100 ALA H H 100 9.610 9.610 8.634 0.976 17577 7506 1 9 . 1 1 101 101 THR N N 101 116.200 116.200 116.963 -0.763 17577 7507 1 9 . 1 1 101 101 THR HA H 101 5.450 5.450 4.820 0.630 17577 7508 1 9 . 1 1 101 101 THR C C 101 173.600 173.600 172.779 0.821 17577 7509 1 9 . 1 1 101 101 THR CA C 101 62.000 62.000 61.324 0.676 17577 7510 1 9 . 1 1 101 101 THR CB C 101 73.100 73.100 71.351 1.749 17577 7511 1 9 . 1 1 101 101 THR H H 101 9.430 9.430 8.669 0.761 17577 7512 1 9 . 1 1 102 102 ARG N N 102 125.700 125.700 129.398 -3.698 17577 7513 1 9 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.197 0.013 17577 7514 1 9 . 1 1 102 102 ARG C C 102 173.900 173.900 173.981 -0.081 17577 7515 1 9 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.709 0.791 17577 7516 1 9 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.055 3.045 17577 7517 1 9 . 1 1 102 102 ARG H H 102 8.970 8.970 8.148 0.822 17577 7518 1 9 . 1 1 103 103 VAL N N 103 122.100 122.100 126.983 -4.883 17577 7519 1 9 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.438 0.332 17577 7520 1 9 . 1 1 103 103 VAL C C 103 175.700 175.700 174.731 0.969 17577 7521 1 9 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.997 1.403 17577 7522 1 9 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.902 -0.502 17577 7523 1 9 . 1 1 103 103 VAL H H 103 7.870 7.870 8.032 -0.162 17577 7524 1 9 . 1 1 104 104 LYS N N 104 130.100 130.100 127.806 2.294 17577 7525 1 9 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.554 -0.094 17577 7526 1 9 . 1 1 104 104 LYS C C 104 175.400 175.400 175.917 -0.517 17577 7527 1 9 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.447 1.553 17577 7528 1 9 . 1 1 104 104 LYS CB C 104 36.400 36.400 33.956 2.444 17577 7529 1 9 . 1 1 104 104 LYS H H 104 8.980 8.980 8.424 0.556 17577 7530 1 9 . 1 1 106 106 GLY N N 106 136.200 136.200 113.220 22.980 17577 7531 1 9 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.897 1.503 17577 7532 1 9 . 1 1 106 106 GLY H H 106 8.330 8.330 8.733 -0.403 17577 7533 1 9 . 1 1 107 107 ARG N N 107 121.300 121.300 120.946 0.354 17577 7534 1 9 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.723 -0.053 17577 7535 1 9 . 1 1 107 107 ARG C C 107 174.500 174.500 174.243 0.257 17577 7536 1 9 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.111 0.289 17577 7537 1 9 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.163 0.037 17577 7538 1 9 . 1 1 107 107 ARG H H 107 7.880 7.880 8.026 -0.146 17577 7539 1 9 . 1 1 108 108 THR N N 108 118.800 118.800 118.874 -0.074 17577 7540 1 9 . 1 1 108 108 THR HA H 108 4.490 4.490 4.408 0.082 17577 7541 1 9 . 1 1 108 108 THR C C 108 173.400 173.400 173.053 0.347 17577 7542 1 9 . 1 1 108 108 THR CA C 108 64.100 64.100 61.445 2.655 17577 7543 1 9 . 1 1 108 108 THR CB C 108 69.800 69.800 70.632 -0.832 17577 7544 1 9 . 1 1 108 108 THR H H 108 8.650 8.650 8.314 0.336 17577 7545 1 9 . 1 1 109 109 LEU N N 109 128.900 128.900 124.244 4.656 17577 7546 1 9 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.529 0.201 17577 7547 1 9 . 1 1 109 109 LEU C C 109 175.700 175.700 174.000 1.700 17577 7548 1 9 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.657 0.643 17577 7549 1 9 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.160 0.340 17577 7550 1 9 . 1 1 109 109 LEU H H 109 9.220 9.220 8.040 1.180 17577 7551 1 9 . 1 1 110 110 HIS N N 110 116.200 116.200 121.103 -4.903 17577 7552 1 9 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.230 0.810 17577 7553 1 9 . 1 1 110 110 HIS C C 110 175.300 175.300 174.057 1.243 17577 7554 1 9 . 1 1 110 110 HIS CA C 110 55.300 55.300 55.080 0.220 17577 7555 1 9 . 1 1 110 110 HIS CB C 110 34.500 34.500 33.164 1.335 17577 7556 1 9 . 1 1 110 110 HIS H H 110 8.490 8.490 8.355 0.135 17577 7557 1 9 . 1 1 111 111 MET N N 111 123.400 123.400 116.729 6.671 17577 7558 1 9 . 1 1 111 111 MET HA H 111 4.550 4.550 4.909 -0.359 17577 7559 1 9 . 1 1 111 111 MET C C 111 174.000 174.000 173.837 0.163 17577 7560 1 9 . 1 1 111 111 MET CA C 111 56.600 56.600 54.574 2.026 17577 7561 1 9 . 1 1 111 111 MET CB C 111 37.800 37.800 36.816 0.984 17577 7562 1 9 . 1 1 111 111 MET H H 111 9.090 9.090 8.966 0.124 17577 7563 1 9 . 1 1 112 112 MET N N 112 122.900 122.900 118.419 4.481 17577 7564 1 9 . 1 1 112 112 MET HA H 112 5.670 5.670 5.224 0.446 17577 7565 1 9 . 1 1 112 112 MET C C 112 175.400 175.400 175.788 -0.388 17577 7566 1 9 . 1 1 112 112 MET CA C 112 55.100 55.100 53.815 1.285 17577 7567 1 9 . 1 1 112 112 MET CB C 112 37.200 37.200 34.328 2.872 17577 7568 1 9 . 1 1 112 112 MET H H 112 9.120 9.120 8.507 0.613 17577 7569 1 9 . 1 1 113 113 ARG N N 113 119.500 119.500 124.180 -4.680 17577 7570 1 9 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.838 0.212 17577 7571 1 9 . 1 1 113 113 ARG C C 113 173.800 173.800 173.481 0.319 17577 7572 1 9 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.893 1.107 17577 7573 1 9 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.160 4.440 17577 7574 1 9 . 1 1 113 113 ARG H H 113 9.390 9.390 8.566 0.824 17577 7575 1 9 . 1 1 114 114 LEU N N 114 124.400 124.400 128.969 -4.569 17577 7576 1 9 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.542 -0.512 17577 7577 1 9 . 1 1 114 114 LEU C C 114 174.200 174.200 174.438 -0.238 17577 7578 1 9 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.235 0.865 17577 7579 1 9 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.388 -1.488 17577 7580 1 9 . 1 1 114 114 LEU H H 114 8.020 8.020 9.234 -1.214 17577 7581 1 9 . 1 1 115 115 TYR N N 115 126.000 126.000 127.555 -1.555 17577 7582 1 9 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.698 0.102 17577 7583 1 9 . 1 1 115 115 TYR C C 115 176.500 176.500 173.478 3.022 17577 7584 1 9 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.905 3.095 17577 7585 1 9 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.422 0.478 17577 7586 1 9 . 1 1 115 115 TYR H H 115 9.540 9.540 8.725 0.815 17577 7587 1 9 . 1 1 116 116 SER N N 116 113.200 113.200 115.600 -2.400 17577 7588 1 9 . 1 1 116 116 SER HA H 116 5.840 5.840 4.588 1.252 17577 7589 1 9 . 1 1 116 116 SER C C 116 175.400 175.400 173.932 1.468 17577 7590 1 9 . 1 1 116 116 SER CA C 116 56.600 56.600 54.796 1.804 17577 7591 1 9 . 1 1 116 116 SER CB C 116 67.700 67.700 65.365 2.335 17577 7592 1 9 . 1 1 116 116 SER H H 116 9.930 9.930 8.882 1.048 17577 7593 1 9 . 1 1 117 117 ARG N N 117 130.500 130.500 124.913 5.587 17577 7594 1 9 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.162 -0.482 17577 7595 1 9 . 1 1 117 117 ARG C C 117 175.400 175.400 176.372 -0.972 17577 7596 1 9 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.057 2.243 17577 7597 1 9 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.826 1.674 17577 7598 1 9 . 1 1 117 117 ARG H H 117 8.350 8.350 8.165 0.185 17577 7599 1 9 . 1 1 118 118 SER N N 118 111.300 111.300 113.049 -1.749 17577 7600 1 9 . 1 1 118 118 SER HA H 118 4.990 4.990 5.031 -0.041 17577 7601 1 9 . 1 1 118 118 SER C C 118 173.400 173.400 172.885 0.515 17577 7602 1 9 . 1 1 118 118 SER CA C 118 54.800 54.800 54.431 0.369 17577 7603 1 9 . 1 1 118 118 SER CB C 118 65.800 65.800 64.540 1.260 17577 7604 1 9 . 1 1 118 118 SER H H 118 7.980 7.980 7.537 0.443 17577 7605 1 9 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.437 0.533 17577 7606 1 9 . 1 1 119 119 PRO C C 119 175.500 175.500 176.163 -0.663 17577 7607 1 9 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.464 0.636 17577 7608 1 9 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.731 0.469 17577 7609 1 9 . 1 1 120 120 GLU N N 120 117.500 117.500 114.952 2.548 17577 7610 1 9 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.319 -0.059 17577 7611 1 9 . 1 1 120 120 GLU C C 120 174.500 174.500 174.891 -0.391 17577 7612 1 9 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.463 0.337 17577 7613 1 9 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.735 -1.035 17577 7614 1 9 . 1 1 120 120 GLU H H 120 7.410 7.410 7.397 0.013 17577 7615 1 9 . 1 1 121 121 VAL N N 121 124.900 124.900 118.745 6.155 17577 7616 1 9 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.229 -0.089 17577 7617 1 9 . 1 1 121 121 VAL C C 121 174.400 174.400 175.968 -1.568 17577 7618 1 9 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.617 1.083 17577 7619 1 9 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.726 1.374 17577 7620 1 9 . 1 1 121 121 VAL H H 121 7.900 7.900 8.240 -0.340 17577 7621 1 9 . 1 1 122 122 SER N N 122 124.500 124.500 123.144 1.356 17577 7622 1 9 . 1 1 122 122 SER HA H 122 4.750 4.750 4.731 0.019 17577 7623 1 9 . 1 1 122 122 SER CA C 122 57.300 57.300 54.715 2.585 17577 7624 1 9 . 1 1 122 122 SER CB C 122 64.500 64.500 63.940 0.561 17577 7625 1 9 . 1 1 122 122 SER H H 122 8.680 8.680 8.426 0.254 17577 7626 1 9 . 1 1 123 123 PRO C C 123 175.600 175.600 177.063 -1.463 17577 7627 1 9 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.350 0.550 17577 7628 1 9 . 1 1 124 124 ALA N N 124 120.100 120.100 118.709 1.391 17577 7629 1 9 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.094 -0.024 17577 7630 1 9 . 1 1 124 124 ALA C C 124 179.900 179.900 179.039 0.861 17577 7631 1 9 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.408 1.392 17577 7632 1 9 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.038 1.062 17577 7633 1 9 . 1 1 124 124 ALA H H 124 8.030 8.030 7.503 0.527 17577 7634 1 9 . 1 1 125 125 ALA N N 125 121.100 121.100 121.143 -0.043 17577 7635 1 9 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.053 0.377 17577 7636 1 9 . 1 1 125 125 ALA C C 125 179.200 179.200 179.396 -0.196 17577 7637 1 9 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.465 1.135 17577 7638 1 9 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.095 1.105 17577 7639 1 9 . 1 1 125 125 ALA H H 125 7.510 7.510 8.178 -0.668 17577 7640 1 9 . 1 1 126 126 THR N N 126 113.200 113.200 114.269 -1.069 17577 7641 1 9 . 1 1 126 126 THR HA H 126 4.150 4.150 3.987 0.163 17577 7642 1 9 . 1 1 126 126 THR C C 126 176.100 176.100 176.331 -0.231 17577 7643 1 9 . 1 1 126 126 THR CA C 126 68.900 68.900 66.357 2.543 17577 7644 1 9 . 1 1 126 126 THR CB C 126 67.700 67.700 68.432 -0.732 17577 7645 1 9 . 1 1 126 126 THR H H 126 7.820 7.820 7.495 0.325 17577 7646 1 9 . 1 1 127 127 ALA N N 127 123.100 123.100 124.554 -1.454 17577 7647 1 9 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.085 -0.005 17577 7648 1 9 . 1 1 127 127 ALA C C 127 181.100 181.100 178.802 2.298 17577 7649 1 9 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.988 1.212 17577 7650 1 9 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.467 0.233 17577 7651 1 9 . 1 1 127 127 ALA H H 127 7.900 7.900 7.526 0.374 17577 7652 1 9 . 1 1 128 128 ILE N N 128 120.900 120.900 119.877 1.023 17577 7653 1 9 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.772 -0.032 17577 7654 1 9 . 1 1 128 128 ILE C C 128 177.300 177.300 176.947 0.353 17577 7655 1 9 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.399 2.201 17577 7656 1 9 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.927 2.473 17577 7657 1 9 . 1 1 128 128 ILE H H 128 7.640 7.640 8.352 -0.712 17577 7658 1 9 . 1 1 129 129 PHE N N 129 120.300 120.300 119.340 0.960 17577 7659 1 9 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.004 0.006 17577 7660 1 9 . 1 1 129 129 PHE C C 129 176.100 176.100 177.055 -0.955 17577 7661 1 9 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.078 1.222 17577 7662 1 9 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.041 1.859 17577 7663 1 9 . 1 1 129 129 PHE H H 129 8.250 8.250 7.753 0.497 17577 7664 1 9 . 1 1 130 130 ARG N N 130 116.300 116.300 119.349 -3.049 17577 7665 1 9 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.983 -0.423 17577 7666 1 9 . 1 1 130 130 ARG C C 130 179.400 179.400 178.273 1.127 17577 7667 1 9 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.145 1.955 17577 7668 1 9 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.332 0.268 17577 7669 1 9 . 1 1 130 130 ARG H H 130 8.650 8.650 7.926 0.724 17577 7670 1 9 . 1 1 131 131 LYS N N 131 122.200 122.200 119.485 2.715 17577 7671 1 9 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.915 0.115 17577 7672 1 9 . 1 1 131 131 LYS C C 131 179.300 179.300 179.189 0.111 17577 7673 1 9 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.757 0.743 17577 7674 1 9 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.230 0.970 17577 7675 1 9 . 1 1 131 131 LYS H H 131 8.020 8.020 7.711 0.309 17577 7676 1 9 . 1 1 132 132 LEU N N 132 120.300 120.300 116.362 3.938 17577 7677 1 9 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.130 -0.200 17577 7678 1 9 . 1 1 132 132 LEU C C 132 179.600 179.600 178.936 0.664 17577 7679 1 9 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.634 0.966 17577 7680 1 9 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.071 1.429 17577 7681 1 9 . 1 1 132 132 LEU H H 132 8.450 8.450 7.349 1.101 17577 7682 1 9 . 1 1 133 133 ALA N N 133 122.400 122.400 121.225 1.175 17577 7683 1 9 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.510 0.460 17577 7684 1 9 . 1 1 133 133 ALA C C 133 180.400 180.400 179.320 1.080 17577 7685 1 9 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.330 1.671 17577 7686 1 9 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.871 0.029 17577 7687 1 9 . 1 1 133 133 ALA H H 133 8.750 8.750 7.258 1.492 17577 7688 1 9 . 1 1 134 134 GLY N N 134 107.400 107.400 105.805 1.595 17577 7689 1 9 . 1 1 134 134 GLY C C 134 178.200 178.200 176.351 1.849 17577 7690 1 9 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.822 1.278 17577 7691 1 9 . 1 1 134 134 GLY H H 134 8.130 8.130 8.470 -0.340 17577 7692 1 9 . 1 1 135 135 GLU N N 135 121.900 121.900 120.944 0.956 17577 7693 1 9 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.126 -0.076 17577 7694 1 9 . 1 1 135 135 GLU C C 135 177.400 177.400 177.371 0.029 17577 7695 1 9 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.856 1.444 17577 7696 1 9 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.577 0.823 17577 7697 1 9 . 1 1 135 135 GLU H H 135 7.730 7.730 7.484 0.246 17577 7698 1 9 . 1 1 136 136 ARG N N 136 118.000 118.000 117.321 0.679 17577 7699 1 9 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.364 -0.214 17577 7700 1 9 . 1 1 136 136 ARG C C 136 173.500 173.500 175.280 -1.780 17577 7701 1 9 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.597 0.202 17577 7702 1 9 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.506 -1.606 17577 7703 1 9 . 1 1 136 136 ARG H H 136 7.130 7.130 7.386 -0.256 17577 7704 1 9 . 1 1 137 137 ASN N N 137 109.600 109.600 116.157 -6.557 17577 7705 1 9 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.458 -0.308 17577 7706 1 9 . 1 1 137 137 ASN C C 137 174.200 174.200 174.850 -0.650 17577 7707 1 9 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.459 1.541 17577 7708 1 9 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.566 0.634 17577 7709 1 9 . 1 1 137 137 ASN H H 137 7.560 7.560 8.324 -0.764 17577 7710 1 9 . 1 1 138 138 TYR N N 138 118.600 118.600 116.437 2.163 17577 7711 1 9 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.835 0.455 17577 7712 1 9 . 1 1 138 138 TYR C C 138 175.900 175.900 175.178 0.722 17577 7713 1 9 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.002 1.698 17577 7714 1 9 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.892 -2.292 17577 7715 1 9 . 1 1 138 138 TYR H H 138 8.020 8.020 8.018 0.002 17577 7716 1 9 . 1 1 139 139 THR N N 139 115.000 115.000 110.882 4.118 17577 7717 1 9 . 1 1 139 139 THR HA H 139 4.420 4.420 4.174 0.246 17577 7718 1 9 . 1 1 139 139 THR C C 139 175.500 175.500 175.217 0.283 17577 7719 1 9 . 1 1 139 139 THR CA C 139 61.400 61.400 58.421 2.979 17577 7720 1 9 . 1 1 139 139 THR CB C 139 71.400 71.400 71.643 -0.243 17577 7721 1 9 . 1 1 139 139 THR H H 139 7.740 7.740 7.936 -0.196 17577 7722 1 9 . 1 1 140 140 ASP N N 140 117.900 117.900 123.801 -5.901 17577 7723 1 9 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.116 0.144 17577 7724 1 9 . 1 1 140 140 ASP C C 140 178.400 178.400 177.570 0.830 17577 7725 1 9 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.358 1.642 17577 7726 1 9 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.632 2.168 17577 7727 1 9 . 1 1 140 140 ASP H H 140 8.630 8.630 8.670 -0.040 17577 7728 1 9 . 1 1 141 141 GLU N N 141 116.800 116.800 119.929 -3.129 17577 7729 1 9 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.070 0.200 17577 7730 1 9 . 1 1 141 141 GLU C C 141 176.200 176.200 177.794 -1.594 17577 7731 1 9 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.191 0.909 17577 7732 1 9 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.293 0.807 17577 7733 1 9 . 1 1 141 141 GLU H H 141 8.500 8.500 8.025 0.475 17577 7734 1 9 . 1 1 142 142 MET N N 142 117.400 117.400 115.404 1.996 17577 7735 1 9 . 1 1 142 142 MET HA H 142 4.490 4.490 4.380 0.110 17577 7736 1 9 . 1 1 142 142 MET C C 142 172.900 172.900 176.092 -3.192 17577 7737 1 9 . 1 1 142 142 MET CA C 142 57.100 57.100 57.471 -0.371 17577 7738 1 9 . 1 1 142 142 MET CB C 142 33.400 33.400 33.839 -0.439 17577 7739 1 9 . 1 1 142 142 MET H H 142 7.960 7.960 7.826 0.134 17577 7740 1 9 . 1 1 143 143 VAL N N 143 116.800 116.800 118.013 -1.213 17577 7741 1 9 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.434 0.356 17577 7742 1 9 . 1 1 143 143 VAL C C 143 175.600 175.600 173.865 1.735 17577 7743 1 9 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.757 2.443 17577 7744 1 9 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.322 0.178 17577 7745 1 9 . 1 1 143 143 VAL H H 143 7.120 7.120 7.996 -0.876 17577 7746 1 9 . 1 1 144 144 ALA N N 144 131.000 131.000 132.803 -1.803 17577 7747 1 9 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.772 0.038 17577 7748 1 9 . 1 1 144 144 ALA C C 144 175.800 175.800 175.690 0.110 17577 7749 1 9 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.755 0.745 17577 7750 1 9 . 1 1 144 144 ALA CB C 144 22.600 22.600 20.403 2.197 17577 7751 1 9 . 1 1 144 144 ALA H H 144 9.600 9.600 8.402 1.198 17577 7752 1 9 . 1 1 145 145 MET N N 145 122.400 122.400 125.370 -2.970 17577 7753 1 9 . 1 1 145 145 MET HA H 145 4.890 4.890 4.424 0.466 17577 7754 1 9 . 1 1 145 145 MET C C 145 176.900 176.900 174.760 2.140 17577 7755 1 9 . 1 1 145 145 MET CA C 145 54.000 54.000 55.940 -1.940 17577 7756 1 9 . 1 1 145 145 MET CB C 145 30.100 30.100 33.904 -3.804 17577 7757 1 9 . 1 1 145 145 MET H H 145 8.630 8.630 8.519 0.111 17577 7758 1 9 . 1 1 146 146 LEU N N 146 125.400 125.400 126.799 -1.399 17577 7759 1 9 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.894 -0.354 17577 7760 1 9 . 1 1 146 146 LEU C C 146 174.500 174.500 174.563 -0.063 17577 7761 1 9 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.282 2.618 17577 7762 1 9 . 1 1 146 146 LEU CB C 146 42.800 42.800 45.294 -2.494 17577 7763 1 9 . 1 1 146 146 LEU H H 146 7.880 7.880 8.336 -0.456 17577 7764 1 9 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.619 -0.039 17577 7765 1 9 . 1 1 147 147 PRO C C 147 176.200 176.200 176.716 -0.516 17577 7766 1 9 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.076 1.224 17577 7767 1 9 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.309 0.291 17577 7768 1 9 . 1 1 148 148 ARG N N 148 120.700 120.700 117.286 3.414 17577 7769 1 9 . 1 1 148 148 ARG HA H 148 4.270 4.270 3.967 0.303 17577 7770 1 9 . 1 1 148 148 ARG C C 148 175.500 175.500 176.017 -0.517 17577 7771 1 9 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.467 0.833 17577 7772 1 9 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.038 2.361 17577 7773 1 9 . 1 1 148 148 ARG H H 148 8.540 8.540 8.425 0.115 17577 7774 1 9 . 1 1 149 149 GLN N N 149 115.000 115.000 120.143 -5.143 17577 7775 1 9 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.172 0.548 17577 7776 1 9 . 1 1 149 149 GLN C C 149 174.300 174.300 174.943 -0.643 17577 7777 1 9 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.072 -1.172 17577 7778 1 9 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.565 1.135 17577 7779 1 9 . 1 1 149 149 GLN H H 149 7.770 7.770 8.133 -0.363 17577 7780 1 9 . 1 1 150 150 GLU N N 150 117.800 117.800 121.542 -3.742 17577 7781 1 9 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.743 -0.273 17577 7782 1 9 . 1 1 150 150 GLU C C 150 175.800 175.800 175.311 0.489 17577 7783 1 9 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.936 1.364 17577 7784 1 9 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.557 -0.157 17577 7785 1 9 . 1 1 150 150 GLU H H 150 8.570 8.570 8.439 0.131 17577 7786 1 9 . 1 1 151 151 GLU N N 151 119.200 119.200 122.838 -3.638 17577 7787 1 9 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.596 -0.336 17577 7788 1 9 . 1 1 151 151 GLU C C 151 176.000 176.000 175.758 0.242 17577 7789 1 9 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.145 2.356 17577 7790 1 9 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.370 0.830 17577 7791 1 9 . 1 1 151 151 GLU H H 151 8.000 8.000 8.883 -0.883 17577 7792 1 9 . 1 1 152 152 CYS N N 152 122.100 122.100 119.471 2.629 17577 7793 1 9 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.855 0.285 17577 7794 1 9 . 1 1 152 152 CYS C C 152 172.800 172.800 173.740 -0.940 17577 7795 1 9 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.161 -4.161 17577 7796 1 9 . 1 1 152 152 CYS CB C 152 34.900 34.900 28.938 5.962 17577 7797 1 9 . 1 1 152 152 CYS H H 152 9.620 9.620 8.350 1.270 17577 7798 1 9 . 1 1 153 153 THR N N 153 118.000 118.000 115.350 2.650 17577 7799 1 9 . 1 1 153 153 THR HA H 153 4.860 4.860 4.499 0.361 17577 7800 1 9 . 1 1 153 153 THR C C 153 173.000 173.000 173.640 -0.640 17577 7801 1 9 . 1 1 153 153 THR CA C 153 59.800 59.800 60.967 -1.167 17577 7802 1 9 . 1 1 153 153 THR CB C 153 72.500 72.500 70.989 1.511 17577 7803 1 9 . 1 1 153 153 THR H H 153 8.490 8.490 8.045 0.445 17577 7804 1 9 . 1 1 154 154 VAL N N 154 114.900 114.900 118.779 -3.879 17577 7805 1 9 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.234 -0.114 17577 7806 1 9 . 1 1 154 154 VAL C C 154 175.500 175.500 175.451 0.049 17577 7807 1 9 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.088 -0.088 17577 7808 1 9 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.582 0.518 17577 7809 1 9 . 1 1 154 154 VAL H H 154 6.920 6.920 8.037 -1.117 17577 7810 1 9 . 1 1 155 155 ASP N N 155 124.100 124.100 122.181 1.919 17577 7811 1 9 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.638 -0.148 17577 7812 1 9 . 1 1 155 155 ASP C C 155 175.800 175.800 177.182 -1.382 17577 7813 1 9 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.975 1.725 17577 7814 1 9 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.068 0.232 17577 7815 1 9 . 1 1 155 155 ASP H H 155 8.390 8.390 8.345 0.045 17577 7816 1 9 . 1 1 156 156 GLU N N 156 121.000 121.000 119.658 1.342 17577 7817 1 9 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.200 -0.030 17577 7818 1 9 . 1 1 156 156 GLU C C 156 175.400 175.400 177.058 -1.658 17577 7819 1 9 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.841 -0.341 17577 7820 1 9 . 1 1 156 156 GLU CB C 156 31.400 31.400 30.091 1.309 17577 7821 1 9 . 1 1 156 156 GLU H H 156 8.450 8.450 8.555 -0.105 17577 7822 1 10 . 1 1 4 4 PRO C C 4 175.800 175.800 176.098 -0.298 17577 7823 1 10 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.338 1.962 17577 7824 1 10 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.606 0.394 17577 7825 1 10 . 1 1 5 5 ASP N N 5 119.400 119.400 120.711 -1.311 17577 7826 1 10 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.626 -0.116 17577 7827 1 10 . 1 1 5 5 ASP C C 5 177.100 177.100 177.398 -0.298 17577 7828 1 10 . 1 1 5 5 ASP CA C 5 54.800 54.800 53.630 1.170 17577 7829 1 10 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.346 1.054 17577 7830 1 10 . 1 1 5 5 ASP H H 5 8.090 8.090 8.471 -0.381 17577 7831 1 10 . 1 1 6 6 ARG N N 6 124.800 124.800 125.576 -0.776 17577 7832 1 10 . 1 1 6 6 ARG C C 6 177.300 177.300 178.237 -0.937 17577 7833 1 10 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.832 0.168 17577 7834 1 10 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.004 0.496 17577 7835 1 10 . 1 1 6 6 ARG H H 6 8.590 8.590 8.553 0.037 17577 7836 1 10 . 1 1 7 7 SER N N 7 113.800 113.800 115.275 -1.475 17577 7837 1 10 . 1 1 7 7 SER CA C 7 62.400 62.400 61.217 1.183 17577 7838 1 10 . 1 1 7 7 SER CB C 7 63.800 63.800 62.797 1.003 17577 7839 1 10 . 1 1 7 7 SER H H 7 8.240 8.240 8.458 -0.218 17577 7840 1 10 . 1 1 8 8 GLU N N 8 120.200 120.200 120.393 -0.193 17577 7841 1 10 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.118 0.212 17577 7842 1 10 . 1 1 8 8 GLU C C 8 177.100 177.100 177.739 -0.639 17577 7843 1 10 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.713 -0.013 17577 7844 1 10 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.513 1.387 17577 7845 1 10 . 1 1 8 8 GLU H H 8 8.030 8.030 7.557 0.473 17577 7846 1 10 . 1 1 9 9 ILE N N 9 112.800 112.800 116.672 -3.872 17577 7847 1 10 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.786 0.564 17577 7848 1 10 . 1 1 9 9 ILE C C 9 175.000 175.000 175.483 -0.483 17577 7849 1 10 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.800 1.600 17577 7850 1 10 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.783 2.216 17577 7851 1 10 . 1 1 9 9 ILE H H 9 7.530 7.530 7.216 0.314 17577 7852 1 10 . 1 1 10 10 ALA N N 10 120.400 120.400 121.874 -1.474 17577 7853 1 10 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.580 -0.510 17577 7854 1 10 . 1 1 10 10 ALA C C 10 177.500 177.500 177.144 0.356 17577 7855 1 10 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.596 0.404 17577 7856 1 10 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.321 1.079 17577 7857 1 10 . 1 1 10 10 ALA H H 10 7.410 7.410 8.195 -0.786 17577 7858 1 10 . 1 1 11 11 GLY N N 11 108.300 108.300 110.927 -2.627 17577 7859 1 10 . 1 1 11 11 GLY C C 11 173.700 173.700 173.606 0.094 17577 7860 1 10 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.039 0.261 17577 7861 1 10 . 1 1 11 11 GLY H H 11 8.780 8.780 8.397 0.383 17577 7862 1 10 . 1 1 12 12 LYS N N 12 122.300 122.300 121.289 1.011 17577 7863 1 10 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.921 -0.091 17577 7864 1 10 . 1 1 12 12 LYS C C 12 175.900 175.900 174.483 1.417 17577 7865 1 10 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.566 1.734 17577 7866 1 10 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.699 0.301 17577 7867 1 10 . 1 1 12 12 LYS H H 12 8.740 8.740 7.673 1.067 17577 7868 1 10 . 1 1 13 13 TRP N N 13 126.000 126.000 126.847 -0.847 17577 7869 1 10 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.194 -0.564 17577 7870 1 10 . 1 1 13 13 TRP C C 13 173.300 173.300 174.605 -1.305 17577 7871 1 10 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.950 1.750 17577 7872 1 10 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.787 3.613 17577 7873 1 10 . 1 1 13 13 TRP H H 13 9.440 9.440 9.842 -0.402 17577 7874 1 10 . 1 1 14 14 TYR N N 14 118.300 118.300 123.800 -5.500 17577 7875 1 10 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.725 0.325 17577 7876 1 10 . 1 1 14 14 TYR C C 14 175.400 175.400 174.731 0.669 17577 7877 1 10 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.761 1.039 17577 7878 1 10 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.059 1.441 17577 7879 1 10 . 1 1 14 14 TYR H H 14 9.370 9.370 8.815 0.555 17577 7880 1 10 . 1 1 15 15 VAL N N 15 124.200 124.200 126.613 -2.413 17577 7881 1 10 . 1 1 15 15 VAL HA H 15 4.040 4.040 4.216 -0.176 17577 7882 1 10 . 1 1 15 15 VAL C C 15 175.500 175.500 175.656 -0.156 17577 7883 1 10 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.645 0.055 17577 7884 1 10 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.425 -0.025 17577 7885 1 10 . 1 1 15 15 VAL H H 15 9.000 9.000 8.896 0.104 17577 7886 1 10 . 1 1 16 16 VAL N N 16 114.600 114.600 119.657 -5.057 17577 7887 1 10 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.538 0.112 17577 7888 1 10 . 1 1 16 16 VAL C C 16 175.900 175.900 173.943 1.957 17577 7889 1 10 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.019 1.181 17577 7890 1 10 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.242 0.358 17577 7891 1 10 . 1 1 16 16 VAL H H 16 8.420 8.420 8.813 -0.393 17577 7892 1 10 . 1 1 17 17 ALA N N 17 122.900 122.900 120.949 1.951 17577 7893 1 10 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.964 0.306 17577 7894 1 10 . 1 1 17 17 ALA C C 17 174.200 174.200 174.191 0.009 17577 7895 1 10 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.354 0.746 17577 7896 1 10 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.340 2.760 17577 7897 1 10 . 1 1 17 17 ALA H H 17 7.590 7.590 7.471 0.119 17577 7898 1 10 . 1 1 18 18 LEU N N 18 118.000 118.000 121.863 -3.863 17577 7899 1 10 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.228 0.212 17577 7900 1 10 . 1 1 18 18 LEU C C 18 176.100 176.100 173.865 2.235 17577 7901 1 10 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.651 0.349 17577 7902 1 10 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.203 3.597 17577 7903 1 10 . 1 1 18 18 LEU H H 18 8.570 8.570 8.030 0.540 17577 7904 1 10 . 1 1 19 19 ALA N N 19 120.300 120.300 123.938 -3.638 17577 7905 1 10 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.560 -0.130 17577 7906 1 10 . 1 1 19 19 ALA C C 19 174.400 174.400 175.964 -1.564 17577 7907 1 10 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.097 2.603 17577 7908 1 10 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.763 0.337 17577 7909 1 10 . 1 1 19 19 ALA H H 19 8.360 8.360 8.997 -0.637 17577 7910 1 10 . 1 1 20 20 SER N N 20 114.200 114.200 113.223 0.977 17577 7911 1 10 . 1 1 20 20 SER HA H 20 3.890 3.890 4.557 -0.667 17577 7912 1 10 . 1 1 20 20 SER C C 20 170.700 170.700 172.775 -2.075 17577 7913 1 10 . 1 1 20 20 SER CA C 20 57.200 57.200 57.486 -0.286 17577 7914 1 10 . 1 1 20 20 SER CB C 20 64.200 64.200 65.391 -1.191 17577 7915 1 10 . 1 1 20 20 SER H H 20 7.450 7.450 8.351 -0.901 17577 7916 1 10 . 1 1 21 21 ASN N N 21 117.500 117.500 117.749 -0.249 17577 7917 1 10 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.860 0.360 17577 7918 1 10 . 1 1 21 21 ASN C C 21 176.500 176.500 174.893 1.607 17577 7919 1 10 . 1 1 21 21 ASN CA C 21 52.500 52.500 52.772 -0.272 17577 7920 1 10 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.265 0.035 17577 7921 1 10 . 1 1 21 21 ASN H H 21 7.980 7.980 8.347 -0.367 17577 7922 1 10 . 1 1 22 22 THR N N 22 112.100 112.100 117.372 -5.272 17577 7923 1 10 . 1 1 22 22 THR HA H 22 4.420 4.420 4.074 0.346 17577 7924 1 10 . 1 1 22 22 THR C C 22 174.800 174.800 174.875 -0.075 17577 7925 1 10 . 1 1 22 22 THR CA C 22 63.200 63.200 60.506 2.694 17577 7926 1 10 . 1 1 22 22 THR CB C 22 71.800 71.800 69.216 2.584 17577 7927 1 10 . 1 1 22 22 THR H H 22 8.140 8.140 7.310 0.830 17577 7928 1 10 . 1 1 23 23 GLU N N 23 122.700 122.700 129.870 -7.170 17577 7929 1 10 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.806 0.944 17577 7930 1 10 . 1 1 23 23 GLU C C 23 178.800 178.800 177.744 1.056 17577 7931 1 10 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.510 1.790 17577 7932 1 10 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.296 1.004 17577 7933 1 10 . 1 1 23 23 GLU H H 23 8.980 8.980 8.618 0.362 17577 7934 1 10 . 1 1 24 24 PHE N N 24 118.200 118.200 118.452 -0.252 17577 7935 1 10 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.218 -0.238 17577 7936 1 10 . 1 1 24 24 PHE C C 24 175.900 175.900 177.668 -1.768 17577 7937 1 10 . 1 1 24 24 PHE CA C 24 62.900 62.900 59.188 3.712 17577 7938 1 10 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.435 3.265 17577 7939 1 10 . 1 1 24 24 PHE H H 24 8.610 8.610 6.578 2.032 17577 7940 1 10 . 1 1 25 25 PHE N N 25 119.000 119.000 119.844 -0.844 17577 7941 1 10 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.320 -0.480 17577 7942 1 10 . 1 1 25 25 PHE C C 25 176.500 176.500 177.496 -0.996 17577 7943 1 10 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.630 2.170 17577 7944 1 10 . 1 1 25 25 PHE CB C 25 40.400 40.400 38.953 1.447 17577 7945 1 10 . 1 1 25 25 PHE H H 25 7.730 7.730 8.103 -0.373 17577 7946 1 10 . 1 1 26 26 LEU N N 26 115.900 115.900 118.006 -2.106 17577 7947 1 10 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.112 -0.382 17577 7948 1 10 . 1 1 26 26 LEU C C 26 179.200 179.200 178.879 0.321 17577 7949 1 10 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.171 0.529 17577 7950 1 10 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.184 0.816 17577 7951 1 10 . 1 1 26 26 LEU H H 26 8.380 8.380 7.614 0.766 17577 7952 1 10 . 1 1 27 27 ARG N N 27 116.900 116.900 120.292 -3.392 17577 7953 1 10 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.001 0.109 17577 7954 1 10 . 1 1 27 27 ARG C C 27 178.400 178.400 178.196 0.204 17577 7955 1 10 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.470 -0.270 17577 7956 1 10 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.232 1.868 17577 7957 1 10 . 1 1 27 27 ARG H H 27 7.720 7.720 8.361 -0.641 17577 7958 1 10 . 1 1 28 28 GLU N N 28 116.000 116.000 117.431 -1.431 17577 7959 1 10 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.287 0.073 17577 7960 1 10 . 1 1 28 28 GLU C C 28 178.200 178.200 178.808 -0.608 17577 7961 1 10 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.545 -1.845 17577 7962 1 10 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.093 0.807 17577 7963 1 10 . 1 1 28 28 GLU H H 28 7.660 7.660 7.960 -0.300 17577 7964 1 10 . 1 1 29 29 LYS N N 29 120.700 120.700 120.805 -0.105 17577 7965 1 10 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.148 -0.008 17577 7966 1 10 . 1 1 29 29 LYS C C 29 177.900 177.900 178.062 -0.162 17577 7967 1 10 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.797 1.103 17577 7968 1 10 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.299 -0.899 17577 7969 1 10 . 1 1 29 29 LYS H H 29 7.910 7.910 8.751 -0.841 17577 7970 1 10 . 1 1 30 30 ASP N N 30 118.800 118.800 116.945 1.855 17577 7971 1 10 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.505 -0.115 17577 7972 1 10 . 1 1 30 30 ASP C C 30 177.000 177.000 177.298 -0.298 17577 7973 1 10 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.337 0.863 17577 7974 1 10 . 1 1 30 30 ASP CB C 30 40.600 40.600 41.128 -0.528 17577 7975 1 10 . 1 1 30 30 ASP H H 30 8.390 8.390 7.907 0.483 17577 7976 1 10 . 1 1 31 31 LYS N N 31 118.000 118.000 117.333 0.667 17577 7977 1 10 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.439 -0.049 17577 7978 1 10 . 1 1 31 31 LYS C C 31 177.200 177.200 176.861 0.339 17577 7979 1 10 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.658 0.341 17577 7980 1 10 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.107 1.093 17577 7981 1 10 . 1 1 31 31 LYS H H 31 8.110 8.110 8.197 -0.087 17577 7982 1 10 . 1 1 32 32 MET N N 32 120.300 120.300 117.478 2.822 17577 7983 1 10 . 1 1 32 32 MET HA H 32 4.520 4.520 4.555 -0.035 17577 7984 1 10 . 1 1 32 32 MET C C 32 176.200 176.200 175.542 0.658 17577 7985 1 10 . 1 1 32 32 MET CA C 32 58.000 58.000 55.876 2.124 17577 7986 1 10 . 1 1 32 32 MET CB C 32 33.500 33.500 34.234 -0.734 17577 7987 1 10 . 1 1 32 32 MET H H 32 7.240 7.240 7.378 -0.138 17577 7988 1 10 . 1 1 33 33 LYS N N 33 120.200 120.200 117.982 2.218 17577 7989 1 10 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.599 0.101 17577 7990 1 10 . 1 1 33 33 LYS C C 33 173.000 173.000 176.756 -3.756 17577 7991 1 10 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.786 1.314 17577 7992 1 10 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.843 4.257 17577 7993 1 10 . 1 1 33 33 LYS H H 33 8.560 8.560 7.805 0.755 17577 7994 1 10 . 1 1 34 34 MET N N 34 118.300 118.300 118.344 -0.044 17577 7995 1 10 . 1 1 34 34 MET HA H 34 4.080 4.080 4.282 -0.202 17577 7996 1 10 . 1 1 34 34 MET C C 34 173.800 173.800 174.874 -1.074 17577 7997 1 10 . 1 1 34 34 MET CA C 34 59.500 59.500 56.798 2.702 17577 7998 1 10 . 1 1 34 34 MET CB C 34 35.700 35.700 33.056 2.644 17577 7999 1 10 . 1 1 34 34 MET H H 34 8.370 8.370 8.110 0.260 17577 8000 1 10 . 1 1 35 35 ALA N N 35 126.000 126.000 124.810 1.190 17577 8001 1 10 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.107 0.153 17577 8002 1 10 . 1 1 35 35 ALA C C 35 176.100 176.100 176.044 0.056 17577 8003 1 10 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.053 0.547 17577 8004 1 10 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.442 1.358 17577 8005 1 10 . 1 1 35 35 ALA H H 35 7.360 7.360 8.414 -1.054 17577 8006 1 10 . 1 1 36 36 MET N N 36 117.100 117.100 115.029 2.071 17577 8007 1 10 . 1 1 36 36 MET HA H 36 5.280 5.280 5.332 -0.052 17577 8008 1 10 . 1 1 36 36 MET C C 36 172.600 172.600 174.583 -1.983 17577 8009 1 10 . 1 1 36 36 MET CA C 36 56.100 56.100 52.660 3.440 17577 8010 1 10 . 1 1 36 36 MET CB C 36 39.600 39.600 36.520 3.080 17577 8011 1 10 . 1 1 36 36 MET H H 36 8.920 8.920 8.742 0.178 17577 8012 1 10 . 1 1 37 37 ALA N N 37 121.700 121.700 121.021 0.679 17577 8013 1 10 . 1 1 37 37 ALA HA H 37 5.430 5.430 5.063 0.367 17577 8014 1 10 . 1 1 37 37 ALA C C 37 175.400 175.400 174.683 0.717 17577 8015 1 10 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.806 -0.606 17577 8016 1 10 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.849 1.550 17577 8017 1 10 . 1 1 37 37 ALA H H 37 8.980 8.980 9.440 -0.460 17577 8018 1 10 . 1 1 38 38 ARG N N 38 120.400 120.400 118.821 1.579 17577 8019 1 10 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.825 0.325 17577 8020 1 10 . 1 1 38 38 ARG C C 38 174.900 174.900 173.674 1.226 17577 8021 1 10 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.066 0.134 17577 8022 1 10 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.268 1.332 17577 8023 1 10 . 1 1 38 38 ARG H H 38 9.180 9.180 7.945 1.235 17577 8024 1 10 . 1 1 39 39 ILE N N 39 126.000 126.000 123.097 2.903 17577 8025 1 10 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.891 0.029 17577 8026 1 10 . 1 1 39 39 ILE C C 39 175.100 175.100 174.297 0.803 17577 8027 1 10 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.707 1.493 17577 8028 1 10 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.438 0.963 17577 8029 1 10 . 1 1 39 39 ILE H H 39 8.930 8.930 8.418 0.512 17577 8030 1 10 . 1 1 40 40 SER N N 40 121.700 121.700 120.390 1.310 17577 8031 1 10 . 1 1 40 40 SER HA H 40 4.630 4.630 4.636 -0.006 17577 8032 1 10 . 1 1 40 40 SER CA C 40 57.900 57.900 57.102 0.798 17577 8033 1 10 . 1 1 40 40 SER CB C 40 66.300 66.300 66.362 -0.062 17577 8034 1 10 . 1 1 40 40 SER H H 40 8.780 8.780 7.953 0.827 17577 8035 1 10 . 1 1 41 41 PHE N N 41 122.300 122.300 121.607 0.693 17577 8036 1 10 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.722 -0.072 17577 8037 1 10 . 1 1 41 41 PHE C C 41 175.900 175.900 176.296 -0.396 17577 8038 1 10 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.619 2.481 17577 8039 1 10 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.758 2.942 17577 8040 1 10 . 1 1 41 41 PHE H H 41 9.080 9.080 9.051 0.029 17577 8041 1 10 . 1 1 42 42 LEU N N 42 125.100 125.100 124.093 1.007 17577 8042 1 10 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.109 0.521 17577 8043 1 10 . 1 1 42 42 LEU C C 42 176.400 176.400 177.525 -1.125 17577 8044 1 10 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.290 -0.790 17577 8045 1 10 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.385 1.415 17577 8046 1 10 . 1 1 42 42 LEU H H 42 8.540 8.540 8.116 0.424 17577 8047 1 10 . 1 1 43 43 GLY N N 43 108.700 108.700 102.931 5.769 17577 8048 1 10 . 1 1 43 43 GLY C C 43 173.700 173.700 173.792 -0.092 17577 8049 1 10 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.011 0.888 17577 8050 1 10 . 1 1 43 43 GLY H H 43 8.310 8.310 7.832 0.478 17577 8051 1 10 . 1 1 44 44 GLU N N 44 120.300 120.300 120.542 -0.242 17577 8052 1 10 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.182 -0.072 17577 8053 1 10 . 1 1 44 44 GLU C C 44 177.200 177.200 176.451 0.749 17577 8054 1 10 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.916 0.684 17577 8055 1 10 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.625 1.175 17577 8056 1 10 . 1 1 44 44 GLU H H 44 8.900 8.900 8.851 0.049 17577 8057 1 10 . 1 1 45 45 ASP N N 45 115.200 115.200 112.881 2.319 17577 8058 1 10 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.782 0.088 17577 8059 1 10 . 1 1 45 45 ASP C C 45 174.500 174.500 176.035 -1.535 17577 8060 1 10 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.268 1.532 17577 8061 1 10 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.424 2.276 17577 8062 1 10 . 1 1 45 45 ASP H H 45 8.500 8.500 8.173 0.327 17577 8063 1 10 . 1 1 46 46 GLU N N 46 117.800 117.800 119.183 -1.383 17577 8064 1 10 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.661 0.909 17577 8065 1 10 . 1 1 46 46 GLU C C 46 174.800 174.800 174.201 0.599 17577 8066 1 10 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.128 0.172 17577 8067 1 10 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.931 2.069 17577 8068 1 10 . 1 1 46 46 GLU H H 46 7.450 7.450 8.341 -0.891 17577 8069 1 10 . 1 1 47 47 LEU N N 47 124.200 124.200 124.819 -0.619 17577 8070 1 10 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.053 -0.173 17577 8071 1 10 . 1 1 47 47 LEU C C 47 173.900 173.900 174.870 -0.970 17577 8072 1 10 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.980 2.320 17577 8073 1 10 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.881 0.219 17577 8074 1 10 . 1 1 47 47 LEU H H 47 9.160 9.160 9.435 -0.275 17577 8075 1 10 . 1 1 48 48 LYS N N 48 123.800 123.800 123.275 0.525 17577 8076 1 10 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.530 0.420 17577 8077 1 10 . 1 1 48 48 LYS C C 48 174.300 174.300 174.496 -0.196 17577 8078 1 10 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.479 0.521 17577 8079 1 10 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.307 1.493 17577 8080 1 10 . 1 1 48 48 LYS H H 48 9.020 9.020 8.410 0.610 17577 8081 1 10 . 1 1 49 49 VAL N N 49 126.600 126.600 126.451 0.149 17577 8082 1 10 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.801 -0.191 17577 8083 1 10 . 1 1 49 49 VAL C C 49 173.800 173.800 173.832 -0.032 17577 8084 1 10 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.637 1.663 17577 8085 1 10 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.363 -0.063 17577 8086 1 10 . 1 1 49 49 VAL H H 49 8.920 8.920 8.727 0.193 17577 8087 1 10 . 1 1 50 50 SER N N 50 120.900 120.900 119.356 1.544 17577 8088 1 10 . 1 1 50 50 SER HA H 50 4.860 4.860 4.229 0.631 17577 8089 1 10 . 1 1 50 50 SER CA C 50 57.300 57.300 55.438 1.862 17577 8090 1 10 . 1 1 50 50 SER CB C 50 65.100 65.100 65.223 -0.123 17577 8091 1 10 . 1 1 50 50 SER H H 50 8.360 8.360 8.183 0.177 17577 8092 1 10 . 1 1 51 51 TYR N N 51 122.000 122.000 122.674 -0.674 17577 8093 1 10 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.982 -0.132 17577 8094 1 10 . 1 1 51 51 TYR C C 51 176.800 176.800 174.009 2.791 17577 8095 1 10 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.101 2.099 17577 8096 1 10 . 1 1 51 51 TYR CB C 51 42.600 42.600 41.404 1.196 17577 8097 1 10 . 1 1 51 51 TYR H H 51 8.990 8.990 7.792 1.198 17577 8098 1 10 . 1 1 52 52 ALA N N 52 124.000 124.000 125.270 -1.270 17577 8099 1 10 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.886 -0.016 17577 8100 1 10 . 1 1 52 52 ALA C C 52 174.800 174.800 175.228 -0.428 17577 8101 1 10 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.912 2.088 17577 8102 1 10 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.316 0.484 17577 8103 1 10 . 1 1 52 52 ALA H H 52 8.640 8.640 9.423 -0.783 17577 8104 1 10 . 1 1 53 53 VAL N N 53 124.300 124.300 124.987 -0.687 17577 8105 1 10 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.648 0.122 17577 8106 1 10 . 1 1 53 53 VAL C C 53 174.200 174.200 173.771 0.429 17577 8107 1 10 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.156 1.145 17577 8108 1 10 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.507 1.994 17577 8109 1 10 . 1 1 53 53 VAL H H 53 9.120 9.120 8.164 0.956 17577 8110 1 10 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.570 0.130 17577 8111 1 10 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.186 2.514 17577 8112 1 10 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.737 1.163 17577 8113 1 10 . 1 1 55 55 LYS N N 55 121.100 121.100 124.507 -3.407 17577 8114 1 10 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.819 0.111 17577 8115 1 10 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.149 1.451 17577 8116 1 10 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.181 0.219 17577 8117 1 10 . 1 1 55 55 LYS H H 55 8.040 8.040 8.511 -0.471 17577 8118 1 10 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.194 0.086 17577 8119 1 10 . 1 1 56 56 PRO C C 56 177.200 177.200 177.101 0.099 17577 8120 1 10 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.098 1.302 17577 8121 1 10 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.819 0.481 17577 8122 1 10 . 1 1 57 57 ASN N N 57 114.200 114.200 114.814 -0.614 17577 8123 1 10 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.723 -0.003 17577 8124 1 10 . 1 1 57 57 ASN C C 57 174.900 174.900 175.109 -0.209 17577 8125 1 10 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.047 0.953 17577 8126 1 10 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.664 0.636 17577 8127 1 10 . 1 1 57 57 ASN H H 57 8.370 8.370 8.135 0.235 17577 8128 1 10 . 1 1 58 58 GLY N N 58 106.500 106.500 107.357 -0.857 17577 8129 1 10 . 1 1 58 58 GLY C C 58 172.000 172.000 172.997 -0.997 17577 8130 1 10 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.617 2.383 17577 8131 1 10 . 1 1 58 58 GLY H H 58 7.810 7.810 8.244 -0.434 17577 8132 1 10 . 1 1 60 60 ARG N N 60 132.300 132.300 128.640 3.660 17577 8133 1 10 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.690 -0.110 17577 8134 1 10 . 1 1 60 60 ARG C C 60 174.000 174.000 174.091 -0.091 17577 8135 1 10 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.545 0.955 17577 8136 1 10 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.627 -0.227 17577 8137 1 10 . 1 1 60 60 ARG H H 60 9.120 9.120 8.384 0.736 17577 8138 1 10 . 1 1 61 61 LYS N N 61 126.200 126.200 126.770 -0.570 17577 8139 1 10 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.974 0.546 17577 8140 1 10 . 1 1 61 61 LYS C C 61 175.900 175.900 175.063 0.837 17577 8141 1 10 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.206 0.894 17577 8142 1 10 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.080 1.020 17577 8143 1 10 . 1 1 61 61 LYS H H 61 8.500 8.500 8.512 -0.012 17577 8144 1 10 . 1 1 62 62 TRP N N 62 121.900 121.900 125.468 -3.568 17577 8145 1 10 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.934 -0.074 17577 8146 1 10 . 1 1 62 62 TRP C C 62 171.900 171.900 173.466 -1.566 17577 8147 1 10 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.422 1.278 17577 8148 1 10 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.471 0.829 17577 8149 1 10 . 1 1 62 62 TRP H H 62 8.070 8.070 8.885 -0.815 17577 8150 1 10 . 1 1 63 63 GLU N N 63 117.100 117.100 119.457 -2.357 17577 8151 1 10 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.059 1.551 17577 8152 1 10 . 1 1 63 63 GLU C C 63 175.500 175.500 174.277 1.223 17577 8153 1 10 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.205 0.995 17577 8154 1 10 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.387 2.713 17577 8155 1 10 . 1 1 63 63 GLU H H 63 8.450 8.450 7.911 0.539 17577 8156 1 10 . 1 1 64 64 THR N N 64 117.400 117.400 115.836 1.564 17577 8157 1 10 . 1 1 64 64 THR HA H 64 4.600 4.600 4.059 0.541 17577 8158 1 10 . 1 1 64 64 THR C C 64 171.800 171.800 172.590 -0.790 17577 8159 1 10 . 1 1 64 64 THR CA C 64 63.000 63.000 61.135 1.865 17577 8160 1 10 . 1 1 64 64 THR CB C 64 72.700 72.700 72.286 0.414 17577 8161 1 10 . 1 1 64 64 THR H H 64 8.980 8.980 8.098 0.882 17577 8162 1 10 . 1 1 65 65 THR N N 65 119.100 119.100 120.517 -1.417 17577 8163 1 10 . 1 1 65 65 THR HA H 65 5.260 5.260 4.580 0.680 17577 8164 1 10 . 1 1 65 65 THR C C 65 173.700 173.700 172.502 1.198 17577 8165 1 10 . 1 1 65 65 THR CA C 65 62.300 62.300 62.435 -0.135 17577 8166 1 10 . 1 1 65 65 THR CB C 65 71.100 71.100 69.560 1.540 17577 8167 1 10 . 1 1 65 65 THR H H 65 8.380 8.380 8.660 -0.280 17577 8168 1 10 . 1 1 66 66 PHE N N 66 123.400 123.400 125.998 -2.598 17577 8169 1 10 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.685 0.145 17577 8170 1 10 . 1 1 66 66 PHE C C 66 174.200 174.200 173.686 0.514 17577 8171 1 10 . 1 1 66 66 PHE CA C 66 58.100 58.100 56.958 1.142 17577 8172 1 10 . 1 1 66 66 PHE CB C 66 45.600 45.600 42.249 3.350 17577 8173 1 10 . 1 1 66 66 PHE H H 66 9.590 9.590 9.603 -0.013 17577 8174 1 10 . 1 1 67 67 LYS N N 67 119.700 119.700 121.804 -2.104 17577 8175 1 10 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.880 0.640 17577 8176 1 10 . 1 1 67 67 LYS C C 67 176.500 176.500 175.470 1.030 17577 8177 1 10 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.394 1.106 17577 8178 1 10 . 1 1 67 67 LYS CB C 67 37.300 37.300 35.990 1.310 17577 8179 1 10 . 1 1 67 67 LYS H H 67 8.880 8.880 8.689 0.191 17577 8180 1 10 . 1 1 68 68 LYS N N 68 129.100 129.100 125.095 4.005 17577 8181 1 10 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.526 0.354 17577 8182 1 10 . 1 1 68 68 LYS C C 68 177.400 177.400 176.659 0.741 17577 8183 1 10 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.357 1.343 17577 8184 1 10 . 1 1 68 68 LYS CB C 68 35.300 35.300 33.138 2.162 17577 8185 1 10 . 1 1 68 68 LYS H H 68 8.850 8.850 8.657 0.193 17577 8186 1 10 . 1 1 69 69 THR N N 69 118.500 118.500 118.921 -0.421 17577 8187 1 10 . 1 1 69 69 THR HA H 69 4.710 4.710 4.723 -0.013 17577 8188 1 10 . 1 1 69 69 THR C C 69 174.600 174.600 174.244 0.356 17577 8189 1 10 . 1 1 69 69 THR CA C 69 61.900 61.900 60.086 1.814 17577 8190 1 10 . 1 1 69 69 THR CB C 69 70.800 70.800 71.371 -0.571 17577 8191 1 10 . 1 1 69 69 THR H H 69 8.720 8.720 8.651 0.069 17577 8192 1 10 . 1 1 70 70 SER N N 70 111.800 111.800 116.486 -4.686 17577 8193 1 10 . 1 1 70 70 SER HA H 70 4.420 4.420 4.748 -0.328 17577 8194 1 10 . 1 1 70 70 SER C C 70 174.500 174.500 175.690 -1.190 17577 8195 1 10 . 1 1 70 70 SER CA C 70 59.300 59.300 57.927 1.373 17577 8196 1 10 . 1 1 70 70 SER CB C 70 64.400 64.400 63.722 0.678 17577 8197 1 10 . 1 1 70 70 SER H H 70 8.350 8.350 8.438 -0.088 17577 8198 1 10 . 1 1 71 71 ASP N N 71 121.100 121.100 122.782 -1.682 17577 8199 1 10 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.202 0.178 17577 8200 1 10 . 1 1 71 71 ASP C C 71 175.600 175.600 175.847 -0.247 17577 8201 1 10 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.767 -0.667 17577 8202 1 10 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.162 1.838 17577 8203 1 10 . 1 1 71 71 ASP H H 71 7.960 7.960 7.648 0.312 17577 8204 1 10 . 1 1 72 72 ASP N N 72 121.000 121.000 116.970 4.030 17577 8205 1 10 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.563 -0.113 17577 8206 1 10 . 1 1 72 72 ASP C C 72 175.900 175.900 175.776 0.124 17577 8207 1 10 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.004 2.096 17577 8208 1 10 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.676 1.424 17577 8209 1 10 . 1 1 72 72 ASP H H 72 8.500 8.500 7.782 0.718 17577 8210 1 10 . 1 1 73 73 GLY N N 73 109.100 109.100 114.092 -4.992 17577 8211 1 10 . 1 1 73 73 GLY C C 73 172.800 172.800 173.821 -1.021 17577 8212 1 10 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.736 -0.236 17577 8213 1 10 . 1 1 73 73 GLY H H 73 8.200 8.200 8.067 0.133 17577 8214 1 10 . 1 1 74 74 GLU N N 74 123.300 123.300 125.685 -2.385 17577 8215 1 10 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.653 0.117 17577 8216 1 10 . 1 1 74 74 GLU C C 74 173.600 173.600 174.620 -1.020 17577 8217 1 10 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.643 -0.243 17577 8218 1 10 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.103 0.497 17577 8219 1 10 . 1 1 74 74 GLU H H 74 8.780 8.780 8.168 0.612 17577 8220 1 10 . 1 1 75 75 VAL N N 75 123.500 123.500 121.397 2.103 17577 8221 1 10 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.234 0.806 17577 8222 1 10 . 1 1 75 75 VAL C C 75 174.100 174.100 173.847 0.253 17577 8223 1 10 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.876 1.624 17577 8224 1 10 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.933 -1.933 17577 8225 1 10 . 1 1 75 75 VAL H H 75 7.870 7.870 7.507 0.363 17577 8226 1 10 . 1 1 76 76 TYR N N 76 125.000 125.000 122.148 2.852 17577 8227 1 10 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.397 -0.157 17577 8228 1 10 . 1 1 76 76 TYR C C 76 174.300 174.300 175.570 -1.270 17577 8229 1 10 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.217 1.583 17577 8230 1 10 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.416 2.284 17577 8231 1 10 . 1 1 76 76 TYR H H 76 9.360 9.360 8.320 1.040 17577 8232 1 10 . 1 1 77 77 TYR N N 77 120.500 120.500 118.049 2.451 17577 8233 1 10 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.379 0.501 17577 8234 1 10 . 1 1 77 77 TYR C C 77 174.600 174.600 173.711 0.889 17577 8235 1 10 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.246 1.754 17577 8236 1 10 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.724 2.876 17577 8237 1 10 . 1 1 77 77 TYR H H 77 9.480 9.480 9.485 -0.005 17577 8238 1 10 . 1 1 78 78 SER N N 78 125.100 125.100 118.375 6.725 17577 8239 1 10 . 1 1 78 78 SER HA H 78 4.830 4.830 4.374 0.456 17577 8240 1 10 . 1 1 78 78 SER C C 78 174.300 174.300 175.044 -0.744 17577 8241 1 10 . 1 1 78 78 SER CA C 78 55.600 55.600 54.779 0.821 17577 8242 1 10 . 1 1 78 78 SER CB C 78 64.400 64.400 62.708 1.692 17577 8243 1 10 . 1 1 78 78 SER H H 78 8.570 8.570 8.367 0.203 17577 8244 1 10 . 1 1 79 79 GLU N N 79 130.000 130.000 128.326 1.674 17577 8245 1 10 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.020 -0.040 17577 8246 1 10 . 1 1 79 79 GLU C C 79 178.600 178.600 177.674 0.926 17577 8247 1 10 . 1 1 79 79 GLU CA C 79 60.100 60.100 60.078 0.022 17577 8248 1 10 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.589 0.911 17577 8249 1 10 . 1 1 79 79 GLU H H 79 8.670 8.670 8.516 0.154 17577 8250 1 10 . 1 1 80 80 GLU N N 80 118.900 118.900 117.563 1.337 17577 8251 1 10 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.163 -0.163 17577 8252 1 10 . 1 1 80 80 GLU C C 80 177.700 177.700 177.694 0.006 17577 8253 1 10 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.136 1.864 17577 8254 1 10 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.767 0.733 17577 8255 1 10 . 1 1 80 80 GLU H H 80 8.560 8.560 8.432 0.128 17577 8256 1 10 . 1 1 81 81 ALA N N 81 117.600 117.600 118.666 -1.066 17577 8257 1 10 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.541 -0.151 17577 8258 1 10 . 1 1 81 81 ALA C C 81 176.000 176.000 176.656 -0.656 17577 8259 1 10 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.028 1.373 17577 8260 1 10 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.464 1.136 17577 8261 1 10 . 1 1 81 81 ALA H H 81 7.410 7.410 7.251 0.159 17577 8262 1 10 . 1 1 82 82 LYS N N 82 118.300 118.300 116.791 1.509 17577 8263 1 10 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.930 -0.060 17577 8264 1 10 . 1 1 82 82 LYS C C 82 175.100 175.100 174.496 0.604 17577 8265 1 10 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.236 -0.036 17577 8266 1 10 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.633 0.667 17577 8267 1 10 . 1 1 82 82 LYS H H 82 7.830 7.830 7.818 0.012 17577 8268 1 10 . 1 1 83 83 LYS N N 83 118.400 118.400 119.797 -1.397 17577 8269 1 10 . 1 1 83 83 LYS HA H 83 5.440 5.440 5.340 0.100 17577 8270 1 10 . 1 1 83 83 LYS C C 83 172.400 172.400 174.482 -2.082 17577 8271 1 10 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.355 0.145 17577 8272 1 10 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.330 2.770 17577 8273 1 10 . 1 1 83 83 LYS H H 83 7.150 7.150 7.444 -0.294 17577 8274 1 10 . 1 1 84 84 LYS N N 84 130.000 130.000 125.642 4.358 17577 8275 1 10 . 1 1 84 84 LYS HA H 84 5.680 5.680 5.502 0.178 17577 8276 1 10 . 1 1 84 84 LYS C C 84 174.900 174.900 174.433 0.467 17577 8277 1 10 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.766 0.934 17577 8278 1 10 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.743 1.257 17577 8279 1 10 . 1 1 84 84 LYS H H 84 9.540 9.540 8.711 0.829 17577 8280 1 10 . 1 1 85 85 VAL N N 85 121.100 121.100 118.194 2.906 17577 8281 1 10 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.164 -0.184 17577 8282 1 10 . 1 1 85 85 VAL C C 85 173.000 173.000 174.445 -1.445 17577 8283 1 10 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.648 1.752 17577 8284 1 10 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.096 1.604 17577 8285 1 10 . 1 1 85 85 VAL H H 85 9.510 9.510 8.557 0.953 17577 8286 1 10 . 1 1 86 86 GLU N N 86 123.700 123.700 127.420 -3.720 17577 8287 1 10 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.805 0.515 17577 8288 1 10 . 1 1 86 86 GLU C C 86 175.800 175.800 175.033 0.767 17577 8289 1 10 . 1 1 86 86 GLU CA C 86 54.700 54.700 54.216 0.484 17577 8290 1 10 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.317 0.883 17577 8291 1 10 . 1 1 86 86 GLU H H 86 8.830 8.830 8.244 0.586 17577 8292 1 10 . 1 1 87 87 VAL N N 87 125.400 125.400 127.878 -2.478 17577 8293 1 10 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.117 0.053 17577 8294 1 10 . 1 1 87 87 VAL C C 87 176.000 176.000 174.951 1.049 17577 8295 1 10 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.810 -0.310 17577 8296 1 10 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.913 0.087 17577 8297 1 10 . 1 1 87 87 VAL H H 87 8.760 8.760 9.079 -0.319 17577 8298 1 10 . 1 1 88 88 LEU N N 88 128.000 128.000 130.124 -2.124 17577 8299 1 10 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.635 -0.245 17577 8300 1 10 . 1 1 88 88 LEU C C 88 177.200 177.200 176.497 0.703 17577 8301 1 10 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.583 1.417 17577 8302 1 10 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.803 1.397 17577 8303 1 10 . 1 1 88 88 LEU H H 88 8.990 8.990 8.627 0.363 17577 8304 1 10 . 1 1 89 89 ASP N N 89 113.900 113.900 116.755 -2.855 17577 8305 1 10 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.751 0.029 17577 8306 1 10 . 1 1 89 89 ASP C C 89 173.900 173.900 174.050 -0.150 17577 8307 1 10 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.831 1.069 17577 8308 1 10 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.070 2.530 17577 8309 1 10 . 1 1 89 89 ASP H H 89 7.140 7.140 7.771 -0.631 17577 8310 1 10 . 1 1 90 90 THR N N 90 119.500 119.500 119.122 0.378 17577 8311 1 10 . 1 1 90 90 THR HA H 90 3.800 3.800 4.634 -0.834 17577 8312 1 10 . 1 1 90 90 THR C C 90 169.800 169.800 173.149 -3.349 17577 8313 1 10 . 1 1 90 90 THR CA C 90 61.500 61.500 61.758 -0.258 17577 8314 1 10 . 1 1 90 90 THR CB C 90 69.200 69.200 70.742 -1.542 17577 8315 1 10 . 1 1 90 90 THR H H 90 8.070 8.070 8.274 -0.204 17577 8316 1 10 . 1 1 91 91 ASP N N 91 122.400 122.400 128.586 -6.186 17577 8317 1 10 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.536 0.314 17577 8318 1 10 . 1 1 91 91 ASP C C 91 176.800 176.800 176.806 -0.006 17577 8319 1 10 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.289 -0.390 17577 8320 1 10 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.258 0.642 17577 8321 1 10 . 1 1 91 91 ASP H H 91 6.790 6.790 8.852 -2.062 17577 8322 1 10 . 1 1 92 92 TYR N N 92 115.100 115.100 114.569 0.531 17577 8323 1 10 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.979 -0.469 17577 8324 1 10 . 1 1 92 92 TYR C C 92 173.900 173.900 174.418 -0.518 17577 8325 1 10 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.553 2.747 17577 8326 1 10 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.194 0.406 17577 8327 1 10 . 1 1 92 92 TYR H H 92 9.420 9.420 8.677 0.743 17577 8328 1 10 . 1 1 93 93 LYS N N 93 112.300 112.300 114.807 -2.507 17577 8329 1 10 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.359 0.311 17577 8330 1 10 . 1 1 93 93 LYS C C 93 175.600 175.600 175.741 -0.141 17577 8331 1 10 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.544 2.956 17577 8332 1 10 . 1 1 93 93 LYS CB C 93 37.800 37.800 35.072 2.728 17577 8333 1 10 . 1 1 93 93 LYS H H 93 8.080 8.080 8.344 -0.264 17577 8334 1 10 . 1 1 94 94 SER N N 94 120.300 120.300 113.694 6.606 17577 8335 1 10 . 1 1 94 94 SER HA H 94 4.820 4.820 4.515 0.305 17577 8336 1 10 . 1 1 94 94 SER CA C 94 61.200 61.200 59.000 2.200 17577 8337 1 10 . 1 1 94 94 SER CB C 94 68.800 68.800 65.820 2.980 17577 8338 1 10 . 1 1 94 94 SER H H 94 11.420 11.420 8.512 2.908 17577 8339 1 10 . 1 1 95 95 TYR N N 95 122.700 122.700 115.988 6.712 17577 8340 1 10 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.312 0.838 17577 8341 1 10 . 1 1 95 95 TYR C C 95 173.500 173.500 173.536 -0.036 17577 8342 1 10 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.382 2.218 17577 8343 1 10 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.904 1.696 17577 8344 1 10 . 1 1 95 95 TYR H H 95 8.490 8.490 7.113 1.377 17577 8345 1 10 . 1 1 96 96 ALA N N 96 120.900 120.900 121.590 -0.690 17577 8346 1 10 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.937 -0.387 17577 8347 1 10 . 1 1 96 96 ALA C C 96 174.700 174.700 174.701 -0.001 17577 8348 1 10 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.786 1.714 17577 8349 1 10 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.553 1.147 17577 8350 1 10 . 1 1 96 96 ALA H H 96 9.010 9.010 8.629 0.381 17577 8351 1 10 . 1 1 97 97 VAL N N 97 121.700 121.700 123.060 -1.360 17577 8352 1 10 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.129 -0.109 17577 8353 1 10 . 1 1 97 97 VAL C C 97 174.300 174.300 174.589 -0.289 17577 8354 1 10 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.406 1.794 17577 8355 1 10 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.150 0.450 17577 8356 1 10 . 1 1 97 97 VAL H H 97 9.310 9.310 8.939 0.371 17577 8357 1 10 . 1 1 98 98 ILE N N 98 129.600 129.600 124.209 5.391 17577 8358 1 10 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.688 0.362 17577 8359 1 10 . 1 1 98 98 ILE C C 98 174.000 174.000 174.204 -0.204 17577 8360 1 10 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.793 -0.593 17577 8361 1 10 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.511 0.189 17577 8362 1 10 . 1 1 98 98 ILE H H 98 9.550 9.550 8.214 1.336 17577 8363 1 10 . 1 1 99 99 TYR N N 99 128.100 128.100 126.740 1.360 17577 8364 1 10 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.814 0.446 17577 8365 1 10 . 1 1 99 99 TYR C C 99 173.700 173.700 174.152 -0.452 17577 8366 1 10 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.276 0.424 17577 8367 1 10 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.483 2.716 17577 8368 1 10 . 1 1 99 99 TYR H H 99 9.550 9.550 8.135 1.415 17577 8369 1 10 . 1 1 100 100 ALA N N 100 134.400 134.400 131.242 3.158 17577 8370 1 10 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.461 0.259 17577 8371 1 10 . 1 1 100 100 ALA C C 100 175.500 175.500 175.679 -0.179 17577 8372 1 10 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.926 1.474 17577 8373 1 10 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.824 3.076 17577 8374 1 10 . 1 1 100 100 ALA H H 100 9.610 9.610 8.407 1.203 17577 8375 1 10 . 1 1 101 101 THR N N 101 116.200 116.200 116.232 -0.032 17577 8376 1 10 . 1 1 101 101 THR HA H 101 5.450 5.450 4.791 0.659 17577 8377 1 10 . 1 1 101 101 THR C C 101 173.600 173.600 172.849 0.751 17577 8378 1 10 . 1 1 101 101 THR CA C 101 62.000 62.000 61.314 0.686 17577 8379 1 10 . 1 1 101 101 THR CB C 101 73.100 73.100 71.329 1.771 17577 8380 1 10 . 1 1 101 101 THR H H 101 9.430 9.430 8.455 0.975 17577 8381 1 10 . 1 1 102 102 ARG N N 102 125.700 125.700 128.933 -3.233 17577 8382 1 10 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.219 -0.009 17577 8383 1 10 . 1 1 102 102 ARG C C 102 173.900 173.900 173.907 -0.007 17577 8384 1 10 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.665 0.835 17577 8385 1 10 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.477 2.623 17577 8386 1 10 . 1 1 102 102 ARG H H 102 8.970 8.970 8.249 0.721 17577 8387 1 10 . 1 1 103 103 VAL N N 103 122.100 122.100 126.665 -4.565 17577 8388 1 10 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.607 0.163 17577 8389 1 10 . 1 1 103 103 VAL C C 103 175.700 175.700 174.616 1.084 17577 8390 1 10 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.482 1.918 17577 8391 1 10 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.227 -0.827 17577 8392 1 10 . 1 1 103 103 VAL H H 103 7.870 7.870 8.142 -0.272 17577 8393 1 10 . 1 1 104 104 LYS N N 104 130.100 130.100 128.574 1.526 17577 8394 1 10 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.601 -0.141 17577 8395 1 10 . 1 1 104 104 LYS C C 104 175.400 175.400 175.506 -0.106 17577 8396 1 10 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.256 1.744 17577 8397 1 10 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.456 1.944 17577 8398 1 10 . 1 1 104 104 LYS H H 104 8.980 8.980 8.721 0.259 17577 8399 1 10 . 1 1 106 106 GLY N N 106 136.200 136.200 113.254 22.946 17577 8400 1 10 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.928 1.472 17577 8401 1 10 . 1 1 106 106 GLY H H 106 8.330 8.330 8.758 -0.428 17577 8402 1 10 . 1 1 107 107 ARG N N 107 121.300 121.300 121.083 0.217 17577 8403 1 10 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.749 -0.079 17577 8404 1 10 . 1 1 107 107 ARG C C 107 174.500 174.500 174.307 0.193 17577 8405 1 10 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.110 0.290 17577 8406 1 10 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.150 0.050 17577 8407 1 10 . 1 1 107 107 ARG H H 107 7.880 7.880 8.027 -0.147 17577 8408 1 10 . 1 1 108 108 THR N N 108 118.800 118.800 119.121 -0.321 17577 8409 1 10 . 1 1 108 108 THR HA H 108 4.490 4.490 4.527 -0.037 17577 8410 1 10 . 1 1 108 108 THR C C 108 173.400 173.400 173.282 0.118 17577 8411 1 10 . 1 1 108 108 THR CA C 108 64.100 64.100 61.532 2.568 17577 8412 1 10 . 1 1 108 108 THR CB C 108 69.800 69.800 70.766 -0.966 17577 8413 1 10 . 1 1 108 108 THR H H 108 8.650 8.650 8.374 0.276 17577 8414 1 10 . 1 1 109 109 LEU N N 109 128.900 128.900 124.677 4.223 17577 8415 1 10 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.837 -0.107 17577 8416 1 10 . 1 1 109 109 LEU C C 109 175.700 175.700 174.312 1.388 17577 8417 1 10 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.010 0.290 17577 8418 1 10 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.164 0.336 17577 8419 1 10 . 1 1 109 109 LEU H H 109 9.220 9.220 8.418 0.802 17577 8420 1 10 . 1 1 110 110 HIS N N 110 116.200 116.200 119.891 -3.691 17577 8421 1 10 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.198 0.842 17577 8422 1 10 . 1 1 110 110 HIS C C 110 175.300 175.300 173.209 2.091 17577 8423 1 10 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.990 1.310 17577 8424 1 10 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.442 2.058 17577 8425 1 10 . 1 1 110 110 HIS H H 110 8.490 8.490 8.181 0.309 17577 8426 1 10 . 1 1 111 111 MET N N 111 123.400 123.400 115.767 7.633 17577 8427 1 10 . 1 1 111 111 MET HA H 111 4.550 4.550 4.615 -0.065 17577 8428 1 10 . 1 1 111 111 MET C C 111 174.000 174.000 173.626 0.374 17577 8429 1 10 . 1 1 111 111 MET CA C 111 56.600 56.600 54.789 1.811 17577 8430 1 10 . 1 1 111 111 MET CB C 111 37.800 37.800 36.892 0.908 17577 8431 1 10 . 1 1 111 111 MET H H 111 9.090 9.090 8.851 0.239 17577 8432 1 10 . 1 1 112 112 MET N N 112 122.900 122.900 118.756 4.144 17577 8433 1 10 . 1 1 112 112 MET HA H 112 5.670 5.670 5.000 0.670 17577 8434 1 10 . 1 1 112 112 MET C C 112 175.400 175.400 175.785 -0.385 17577 8435 1 10 . 1 1 112 112 MET CA C 112 55.100 55.100 53.860 1.240 17577 8436 1 10 . 1 1 112 112 MET CB C 112 37.200 37.200 34.245 2.955 17577 8437 1 10 . 1 1 112 112 MET H H 112 9.120 9.120 8.890 0.230 17577 8438 1 10 . 1 1 113 113 ARG N N 113 119.500 119.500 124.494 -4.994 17577 8439 1 10 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.800 0.250 17577 8440 1 10 . 1 1 113 113 ARG C C 113 173.800 173.800 173.409 0.391 17577 8441 1 10 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.868 1.132 17577 8442 1 10 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.135 4.465 17577 8443 1 10 . 1 1 113 113 ARG H H 113 9.390 9.390 8.531 0.859 17577 8444 1 10 . 1 1 114 114 LEU N N 114 124.400 124.400 128.799 -4.399 17577 8445 1 10 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.592 -0.562 17577 8446 1 10 . 1 1 114 114 LEU C C 114 174.200 174.200 174.372 -0.172 17577 8447 1 10 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.191 0.909 17577 8448 1 10 . 1 1 114 114 LEU CB C 114 43.900 43.900 45.488 -1.588 17577 8449 1 10 . 1 1 114 114 LEU H H 114 8.020 8.020 9.198 -1.178 17577 8450 1 10 . 1 1 115 115 TYR N N 115 126.000 126.000 127.540 -1.540 17577 8451 1 10 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.674 0.126 17577 8452 1 10 . 1 1 115 115 TYR C C 115 176.500 176.500 173.497 3.003 17577 8453 1 10 . 1 1 115 115 TYR CA C 115 58.000 58.000 54.905 3.095 17577 8454 1 10 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.409 0.491 17577 8455 1 10 . 1 1 115 115 TYR H H 115 9.540 9.540 8.706 0.834 17577 8456 1 10 . 1 1 116 116 SER N N 116 113.200 113.200 115.716 -2.516 17577 8457 1 10 . 1 1 116 116 SER HA H 116 5.840 5.840 4.716 1.124 17577 8458 1 10 . 1 1 116 116 SER C C 116 175.400 175.400 173.899 1.501 17577 8459 1 10 . 1 1 116 116 SER CA C 116 56.600 56.600 54.791 1.809 17577 8460 1 10 . 1 1 116 116 SER CB C 116 67.700 67.700 65.427 2.273 17577 8461 1 10 . 1 1 116 116 SER H H 116 9.930 9.930 8.849 1.081 17577 8462 1 10 . 1 1 117 117 ARG N N 117 130.500 130.500 124.262 6.238 17577 8463 1 10 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.080 -0.400 17577 8464 1 10 . 1 1 117 117 ARG C C 117 175.400 175.400 175.716 -0.316 17577 8465 1 10 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.208 2.092 17577 8466 1 10 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.565 1.935 17577 8467 1 10 . 1 1 117 117 ARG H H 117 8.350 8.350 8.062 0.288 17577 8468 1 10 . 1 1 118 118 SER N N 118 111.300 111.300 112.016 -0.716 17577 8469 1 10 . 1 1 118 118 SER HA H 118 4.990 4.990 4.803 0.187 17577 8470 1 10 . 1 1 118 118 SER C C 118 173.400 173.400 172.580 0.820 17577 8471 1 10 . 1 1 118 118 SER CA C 118 54.800 54.800 54.613 0.187 17577 8472 1 10 . 1 1 118 118 SER CB C 118 65.800 65.800 64.790 1.010 17577 8473 1 10 . 1 1 118 118 SER H H 118 7.980 7.980 7.405 0.575 17577 8474 1 10 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.861 0.109 17577 8475 1 10 . 1 1 119 119 PRO C C 119 175.500 175.500 176.092 -0.592 17577 8476 1 10 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.722 0.378 17577 8477 1 10 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.668 0.532 17577 8478 1 10 . 1 1 120 120 GLU N N 120 117.500 117.500 114.986 2.514 17577 8479 1 10 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.429 -0.169 17577 8480 1 10 . 1 1 120 120 GLU C C 120 174.500 174.500 174.945 -0.445 17577 8481 1 10 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.475 0.325 17577 8482 1 10 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.845 -1.145 17577 8483 1 10 . 1 1 120 120 GLU H H 120 7.410 7.410 7.424 -0.014 17577 8484 1 10 . 1 1 121 121 VAL N N 121 124.900 124.900 119.615 5.285 17577 8485 1 10 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.237 -0.097 17577 8486 1 10 . 1 1 121 121 VAL C C 121 174.400 174.400 175.841 -1.441 17577 8487 1 10 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.657 1.043 17577 8488 1 10 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.929 1.171 17577 8489 1 10 . 1 1 121 121 VAL H H 121 7.900 7.900 8.409 -0.509 17577 8490 1 10 . 1 1 122 122 SER N N 122 124.500 124.500 123.875 0.625 17577 8491 1 10 . 1 1 122 122 SER HA H 122 4.750 4.750 4.803 -0.053 17577 8492 1 10 . 1 1 122 122 SER CA C 122 57.300 57.300 55.332 1.968 17577 8493 1 10 . 1 1 122 122 SER CB C 122 64.500 64.500 63.907 0.593 17577 8494 1 10 . 1 1 122 122 SER H H 122 8.680 8.680 8.417 0.263 17577 8495 1 10 . 1 1 123 123 PRO C C 123 175.600 175.600 177.750 -2.150 17577 8496 1 10 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.538 0.362 17577 8497 1 10 . 1 1 124 124 ALA N N 124 120.100 120.100 118.978 1.122 17577 8498 1 10 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.145 -0.075 17577 8499 1 10 . 1 1 124 124 ALA C C 124 179.900 179.900 179.224 0.676 17577 8500 1 10 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.366 1.434 17577 8501 1 10 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.982 1.118 17577 8502 1 10 . 1 1 124 124 ALA H H 124 8.030 8.030 8.280 -0.250 17577 8503 1 10 . 1 1 125 125 ALA N N 125 121.100 121.100 121.300 -0.200 17577 8504 1 10 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.024 0.406 17577 8505 1 10 . 1 1 125 125 ALA C C 125 179.200 179.200 179.384 -0.184 17577 8506 1 10 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.489 1.111 17577 8507 1 10 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.149 1.051 17577 8508 1 10 . 1 1 125 125 ALA H H 125 7.510 7.510 8.214 -0.705 17577 8509 1 10 . 1 1 126 126 THR N N 126 113.200 113.200 114.374 -1.174 17577 8510 1 10 . 1 1 126 126 THR HA H 126 4.150 4.150 4.009 0.141 17577 8511 1 10 . 1 1 126 126 THR C C 126 176.100 176.100 176.348 -0.248 17577 8512 1 10 . 1 1 126 126 THR CA C 126 68.900 68.900 66.365 2.534 17577 8513 1 10 . 1 1 126 126 THR CB C 126 67.700 67.700 68.470 -0.770 17577 8514 1 10 . 1 1 126 126 THR H H 126 7.820 7.820 7.544 0.276 17577 8515 1 10 . 1 1 127 127 ALA N N 127 123.100 123.100 124.508 -1.408 17577 8516 1 10 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.081 -0.001 17577 8517 1 10 . 1 1 127 127 ALA C C 127 181.100 181.100 178.794 2.306 17577 8518 1 10 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.005 1.195 17577 8519 1 10 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.458 0.242 17577 8520 1 10 . 1 1 127 127 ALA H H 127 7.900 7.900 7.653 0.247 17577 8521 1 10 . 1 1 128 128 ILE N N 128 120.900 120.900 119.839 1.061 17577 8522 1 10 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.769 -0.029 17577 8523 1 10 . 1 1 128 128 ILE C C 128 177.300 177.300 176.960 0.340 17577 8524 1 10 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.356 2.244 17577 8525 1 10 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.905 2.495 17577 8526 1 10 . 1 1 128 128 ILE H H 128 7.640 7.640 8.218 -0.578 17577 8527 1 10 . 1 1 129 129 PHE N N 129 120.300 120.300 119.311 0.989 17577 8528 1 10 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.007 0.003 17577 8529 1 10 . 1 1 129 129 PHE C C 129 176.100 176.100 177.093 -0.993 17577 8530 1 10 . 1 1 129 129 PHE CA C 129 63.300 63.300 62.112 1.188 17577 8531 1 10 . 1 1 129 129 PHE CB C 129 40.900 40.900 39.064 1.836 17577 8532 1 10 . 1 1 129 129 PHE H H 129 8.250 8.250 7.732 0.518 17577 8533 1 10 . 1 1 130 130 ARG N N 130 116.300 116.300 119.316 -3.016 17577 8534 1 10 . 1 1 130 130 ARG HA H 130 3.560 3.560 4.015 -0.455 17577 8535 1 10 . 1 1 130 130 ARG C C 130 179.400 179.400 178.279 1.121 17577 8536 1 10 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.125 1.975 17577 8537 1 10 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.334 0.267 17577 8538 1 10 . 1 1 130 130 ARG H H 130 8.650 8.650 7.927 0.723 17577 8539 1 10 . 1 1 131 131 LYS N N 131 122.200 122.200 119.499 2.701 17577 8540 1 10 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.917 0.113 17577 8541 1 10 . 1 1 131 131 LYS C C 131 179.300 179.300 179.201 0.099 17577 8542 1 10 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.756 0.744 17577 8543 1 10 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.235 0.965 17577 8544 1 10 . 1 1 131 131 LYS H H 131 8.020 8.020 7.693 0.327 17577 8545 1 10 . 1 1 132 132 LEU N N 132 120.300 120.300 116.468 3.832 17577 8546 1 10 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.970 -0.040 17577 8547 1 10 . 1 1 132 132 LEU C C 132 179.600 179.600 178.631 0.969 17577 8548 1 10 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.848 0.752 17577 8549 1 10 . 1 1 132 132 LEU CB C 132 42.500 42.500 40.919 1.581 17577 8550 1 10 . 1 1 132 132 LEU H H 132 8.450 8.450 7.396 1.054 17577 8551 1 10 . 1 1 133 133 ALA N N 133 122.400 122.400 121.151 1.249 17577 8552 1 10 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.524 0.446 17577 8553 1 10 . 1 1 133 133 ALA C C 133 180.400 180.400 179.286 1.114 17577 8554 1 10 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.349 1.651 17577 8555 1 10 . 1 1 133 133 ALA CB C 133 16.900 16.900 16.916 -0.016 17577 8556 1 10 . 1 1 133 133 ALA H H 133 8.750 8.750 7.267 1.483 17577 8557 1 10 . 1 1 134 134 GLY N N 134 107.400 107.400 105.923 1.477 17577 8558 1 10 . 1 1 134 134 GLY C C 134 178.200 178.200 176.396 1.804 17577 8559 1 10 . 1 1 134 134 GLY CA C 134 48.100 48.100 47.008 1.092 17577 8560 1 10 . 1 1 134 134 GLY H H 134 8.130 8.130 8.498 -0.368 17577 8561 1 10 . 1 1 135 135 GLU N N 135 121.900 121.900 121.607 0.293 17577 8562 1 10 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.188 -0.138 17577 8563 1 10 . 1 1 135 135 GLU C C 135 177.400 177.400 177.285 0.115 17577 8564 1 10 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.095 1.205 17577 8565 1 10 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.544 0.856 17577 8566 1 10 . 1 1 135 135 GLU H H 135 7.730 7.730 7.526 0.204 17577 8567 1 10 . 1 1 136 136 ARG N N 136 118.000 118.000 117.528 0.472 17577 8568 1 10 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.375 -0.225 17577 8569 1 10 . 1 1 136 136 ARG C C 136 173.500 173.500 175.234 -1.734 17577 8570 1 10 . 1 1 136 136 ARG CA C 136 55.800 55.800 54.966 0.834 17577 8571 1 10 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.387 -1.488 17577 8572 1 10 . 1 1 136 136 ARG H H 136 7.130 7.130 7.341 -0.211 17577 8573 1 10 . 1 1 137 137 ASN N N 137 109.600 109.600 115.884 -6.284 17577 8574 1 10 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.428 -0.278 17577 8575 1 10 . 1 1 137 137 ASN C C 137 174.200 174.200 174.880 -0.680 17577 8576 1 10 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.294 1.706 17577 8577 1 10 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.755 0.445 17577 8578 1 10 . 1 1 137 137 ASN H H 137 7.560 7.560 8.315 -0.755 17577 8579 1 10 . 1 1 138 138 TYR N N 138 118.600 118.600 116.571 2.029 17577 8580 1 10 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.850 0.440 17577 8581 1 10 . 1 1 138 138 TYR C C 138 175.900 175.900 175.136 0.764 17577 8582 1 10 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.148 1.552 17577 8583 1 10 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.872 -2.272 17577 8584 1 10 . 1 1 138 138 TYR H H 138 8.020 8.020 8.035 -0.015 17577 8585 1 10 . 1 1 139 139 THR N N 139 115.000 115.000 110.827 4.173 17577 8586 1 10 . 1 1 139 139 THR HA H 139 4.420 4.420 4.175 0.245 17577 8587 1 10 . 1 1 139 139 THR C C 139 175.500 175.500 175.241 0.259 17577 8588 1 10 . 1 1 139 139 THR CA C 139 61.400 61.400 58.429 2.971 17577 8589 1 10 . 1 1 139 139 THR CB C 139 71.400 71.400 71.660 -0.260 17577 8590 1 10 . 1 1 139 139 THR H H 139 7.740 7.740 7.961 -0.221 17577 8591 1 10 . 1 1 140 140 ASP N N 140 117.900 117.900 123.349 -5.449 17577 8592 1 10 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.159 0.101 17577 8593 1 10 . 1 1 140 140 ASP C C 140 178.400 178.400 177.569 0.831 17577 8594 1 10 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.255 1.745 17577 8595 1 10 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.595 2.205 17577 8596 1 10 . 1 1 140 140 ASP H H 140 8.630 8.630 8.707 -0.077 17577 8597 1 10 . 1 1 141 141 GLU N N 141 116.800 116.800 118.722 -1.922 17577 8598 1 10 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.080 0.190 17577 8599 1 10 . 1 1 141 141 GLU C C 141 176.200 176.200 177.692 -1.492 17577 8600 1 10 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.139 0.961 17577 8601 1 10 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.088 1.012 17577 8602 1 10 . 1 1 141 141 GLU H H 141 8.500 8.500 7.954 0.546 17577 8603 1 10 . 1 1 142 142 MET N N 142 117.400 117.400 115.202 2.198 17577 8604 1 10 . 1 1 142 142 MET HA H 142 4.490 4.490 4.371 0.119 17577 8605 1 10 . 1 1 142 142 MET C C 142 172.900 172.900 176.039 -3.139 17577 8606 1 10 . 1 1 142 142 MET CA C 142 57.100 57.100 57.469 -0.370 17577 8607 1 10 . 1 1 142 142 MET CB C 142 33.400 33.400 33.800 -0.400 17577 8608 1 10 . 1 1 142 142 MET H H 142 7.960 7.960 7.792 0.168 17577 8609 1 10 . 1 1 143 143 VAL N N 143 116.800 116.800 118.035 -1.235 17577 8610 1 10 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.554 0.236 17577 8611 1 10 . 1 1 143 143 VAL C C 143 175.600 175.600 173.912 1.688 17577 8612 1 10 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.746 2.454 17577 8613 1 10 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.335 0.165 17577 8614 1 10 . 1 1 143 143 VAL H H 143 7.120 7.120 7.974 -0.854 17577 8615 1 10 . 1 1 144 144 ALA N N 144 131.000 131.000 132.741 -1.741 17577 8616 1 10 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.774 0.036 17577 8617 1 10 . 1 1 144 144 ALA C C 144 175.800 175.800 175.677 0.123 17577 8618 1 10 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.731 0.769 17577 8619 1 10 . 1 1 144 144 ALA CB C 144 22.600 22.600 20.529 2.071 17577 8620 1 10 . 1 1 144 144 ALA H H 144 9.600 9.600 8.376 1.224 17577 8621 1 10 . 1 1 145 145 MET N N 145 122.400 122.400 125.260 -2.860 17577 8622 1 10 . 1 1 145 145 MET HA H 145 4.890 4.890 4.379 0.511 17577 8623 1 10 . 1 1 145 145 MET C C 145 176.900 176.900 174.773 2.127 17577 8624 1 10 . 1 1 145 145 MET CA C 145 54.000 54.000 55.935 -1.935 17577 8625 1 10 . 1 1 145 145 MET CB C 145 30.100 30.100 33.851 -3.751 17577 8626 1 10 . 1 1 145 145 MET H H 145 8.630 8.630 8.521 0.109 17577 8627 1 10 . 1 1 146 146 LEU N N 146 125.400 125.400 126.802 -1.402 17577 8628 1 10 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.885 -0.345 17577 8629 1 10 . 1 1 146 146 LEU C C 146 174.500 174.500 174.595 -0.095 17577 8630 1 10 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.311 2.589 17577 8631 1 10 . 1 1 146 146 LEU CB C 146 42.800 42.800 45.220 -2.420 17577 8632 1 10 . 1 1 146 146 LEU H H 146 7.880 7.880 8.260 -0.380 17577 8633 1 10 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.668 -0.088 17577 8634 1 10 . 1 1 147 147 PRO C C 147 176.200 176.200 176.772 -0.572 17577 8635 1 10 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.079 1.221 17577 8636 1 10 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.340 0.260 17577 8637 1 10 . 1 1 148 148 ARG N N 148 120.700 120.700 117.225 3.475 17577 8638 1 10 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.124 0.146 17577 8639 1 10 . 1 1 148 148 ARG C C 148 175.500 175.500 176.064 -0.564 17577 8640 1 10 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.533 0.767 17577 8641 1 10 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.102 2.299 17577 8642 1 10 . 1 1 148 148 ARG H H 148 8.540 8.540 8.475 0.065 17577 8643 1 10 . 1 1 149 149 GLN N N 149 115.000 115.000 120.345 -5.345 17577 8644 1 10 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.182 0.538 17577 8645 1 10 . 1 1 149 149 GLN C C 149 174.300 174.300 174.933 -0.633 17577 8646 1 10 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.151 -1.251 17577 8647 1 10 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.402 1.298 17577 8648 1 10 . 1 1 149 149 GLN H H 149 7.770 7.770 8.200 -0.430 17577 8649 1 10 . 1 1 150 150 GLU N N 150 117.800 117.800 121.180 -3.380 17577 8650 1 10 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.668 -0.198 17577 8651 1 10 . 1 1 150 150 GLU C C 150 175.800 175.800 175.239 0.561 17577 8652 1 10 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.614 1.686 17577 8653 1 10 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.608 -0.208 17577 8654 1 10 . 1 1 150 150 GLU H H 150 8.570 8.570 8.510 0.060 17577 8655 1 10 . 1 1 151 151 GLU N N 151 119.200 119.200 122.832 -3.632 17577 8656 1 10 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.477 -0.217 17577 8657 1 10 . 1 1 151 151 GLU C C 151 176.000 176.000 175.407 0.593 17577 8658 1 10 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.288 3.212 17577 8659 1 10 . 1 1 151 151 GLU CB C 151 32.200 32.200 31.167 1.033 17577 8660 1 10 . 1 1 151 151 GLU H H 151 8.000 8.000 8.812 -0.812 17577 8661 1 10 . 1 1 152 152 CYS N N 152 122.100 122.100 119.386 2.714 17577 8662 1 10 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.854 0.286 17577 8663 1 10 . 1 1 152 152 CYS C C 152 172.800 172.800 173.703 -0.903 17577 8664 1 10 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.005 -4.005 17577 8665 1 10 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.224 5.676 17577 8666 1 10 . 1 1 152 152 CYS H H 152 9.620 9.620 8.301 1.319 17577 8667 1 10 . 1 1 153 153 THR N N 153 118.000 118.000 114.937 3.063 17577 8668 1 10 . 1 1 153 153 THR HA H 153 4.860 4.860 4.574 0.286 17577 8669 1 10 . 1 1 153 153 THR C C 153 173.000 173.000 173.761 -0.761 17577 8670 1 10 . 1 1 153 153 THR CA C 153 59.800 59.800 60.899 -1.099 17577 8671 1 10 . 1 1 153 153 THR CB C 153 72.500 72.500 70.272 2.228 17577 8672 1 10 . 1 1 153 153 THR H H 153 8.490 8.490 7.983 0.507 17577 8673 1 10 . 1 1 154 154 VAL N N 154 114.900 114.900 119.260 -4.360 17577 8674 1 10 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.320 -0.200 17577 8675 1 10 . 1 1 154 154 VAL C C 154 175.500 175.500 175.468 0.032 17577 8676 1 10 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.870 0.130 17577 8677 1 10 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.752 0.348 17577 8678 1 10 . 1 1 154 154 VAL H H 154 6.920 6.920 8.086 -1.166 17577 8679 1 10 . 1 1 155 155 ASP N N 155 124.100 124.100 122.051 2.049 17577 8680 1 10 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.580 -0.090 17577 8681 1 10 . 1 1 155 155 ASP C C 155 175.800 175.800 177.108 -1.308 17577 8682 1 10 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.978 1.722 17577 8683 1 10 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.043 0.257 17577 8684 1 10 . 1 1 155 155 ASP H H 155 8.390 8.390 8.273 0.117 17577 8685 1 10 . 1 1 156 156 GLU N N 156 121.000 121.000 118.829 2.171 17577 8686 1 10 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.215 -0.045 17577 8687 1 10 . 1 1 156 156 GLU C C 156 175.400 175.400 176.825 -1.425 17577 8688 1 10 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.979 -0.479 17577 8689 1 10 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.941 1.459 17577 8690 1 10 . 1 1 156 156 GLU H H 156 8.450 8.450 8.587 -0.137 17577 8691 1 11 . 1 1 4 4 PRO C C 4 175.800 175.800 175.667 0.133 17577 8692 1 11 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.632 0.668 17577 8693 1 11 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.488 0.512 17577 8694 1 11 . 1 1 5 5 ASP N N 5 119.400 119.400 115.486 3.914 17577 8695 1 11 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.496 0.014 17577 8696 1 11 . 1 1 5 5 ASP C C 5 177.100 177.100 176.670 0.430 17577 8697 1 11 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.356 0.444 17577 8698 1 11 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.255 2.145 17577 8699 1 11 . 1 1 5 5 ASP H H 5 8.090 8.090 8.229 -0.139 17577 8700 1 11 . 1 1 6 6 ARG N N 6 124.800 124.800 120.450 4.350 17577 8701 1 11 . 1 1 6 6 ARG C C 6 177.300 177.300 178.283 -0.983 17577 8702 1 11 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.596 0.404 17577 8703 1 11 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.865 0.635 17577 8704 1 11 . 1 1 6 6 ARG H H 6 8.590 8.590 8.184 0.406 17577 8705 1 11 . 1 1 7 7 SER N N 7 113.800 113.800 113.039 0.761 17577 8706 1 11 . 1 1 7 7 SER CA C 7 62.400 62.400 60.896 1.504 17577 8707 1 11 . 1 1 7 7 SER CB C 7 63.800 63.800 62.917 0.883 17577 8708 1 11 . 1 1 7 7 SER H H 7 8.240 8.240 8.305 -0.065 17577 8709 1 11 . 1 1 8 8 GLU N N 8 120.200 120.200 120.274 -0.074 17577 8710 1 11 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.113 0.217 17577 8711 1 11 . 1 1 8 8 GLU C C 8 177.100 177.100 177.198 -0.098 17577 8712 1 11 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.425 0.275 17577 8713 1 11 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.713 1.187 17577 8714 1 11 . 1 1 8 8 GLU H H 8 8.030 8.030 7.536 0.494 17577 8715 1 11 . 1 1 9 9 ILE N N 9 112.800 112.800 118.998 -6.198 17577 8716 1 11 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.933 0.417 17577 8717 1 11 . 1 1 9 9 ILE C C 9 175.000 175.000 174.863 0.137 17577 8718 1 11 . 1 1 9 9 ILE CA C 9 63.400 63.400 62.183 1.217 17577 8719 1 11 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.807 1.193 17577 8720 1 11 . 1 1 9 9 ILE H H 9 7.530 7.530 7.413 0.117 17577 8721 1 11 . 1 1 10 10 ALA N N 10 120.400 120.400 121.495 -1.095 17577 8722 1 11 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.537 -0.467 17577 8723 1 11 . 1 1 10 10 ALA C C 10 177.500 177.500 177.483 0.017 17577 8724 1 11 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.326 -0.326 17577 8725 1 11 . 1 1 10 10 ALA CB C 10 20.400 20.400 18.793 1.607 17577 8726 1 11 . 1 1 10 10 ALA H H 10 7.410 7.410 8.248 -0.838 17577 8727 1 11 . 1 1 11 11 GLY N N 11 108.300 108.300 111.405 -3.105 17577 8728 1 11 . 1 1 11 11 GLY C C 11 173.700 173.700 173.482 0.218 17577 8729 1 11 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.101 0.199 17577 8730 1 11 . 1 1 11 11 GLY H H 11 8.780 8.780 8.731 0.049 17577 8731 1 11 . 1 1 12 12 LYS N N 12 122.300 122.300 120.312 1.988 17577 8732 1 11 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.907 -0.077 17577 8733 1 11 . 1 1 12 12 LYS C C 12 175.900 175.900 175.010 0.890 17577 8734 1 11 . 1 1 12 12 LYS CA C 12 58.300 58.300 55.972 2.328 17577 8735 1 11 . 1 1 12 12 LYS CB C 12 35.000 35.000 35.006 -0.006 17577 8736 1 11 . 1 1 12 12 LYS H H 12 8.740 8.740 8.062 0.678 17577 8737 1 11 . 1 1 13 13 TRP N N 13 126.000 126.000 125.084 0.916 17577 8738 1 11 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.893 -0.263 17577 8739 1 11 . 1 1 13 13 TRP C C 13 173.300 173.300 174.714 -1.414 17577 8740 1 11 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.115 1.585 17577 8741 1 11 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.065 4.335 17577 8742 1 11 . 1 1 13 13 TRP H H 13 9.440 9.440 9.588 -0.148 17577 8743 1 11 . 1 1 14 14 TYR N N 14 118.300 118.300 123.245 -4.945 17577 8744 1 11 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.827 0.223 17577 8745 1 11 . 1 1 14 14 TYR C C 14 175.400 175.400 174.782 0.618 17577 8746 1 11 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.866 0.934 17577 8747 1 11 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.215 1.285 17577 8748 1 11 . 1 1 14 14 TYR H H 14 9.370 9.370 8.661 0.709 17577 8749 1 11 . 1 1 15 15 VAL N N 15 124.200 124.200 125.440 -1.240 17577 8750 1 11 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.707 0.333 17577 8751 1 11 . 1 1 15 15 VAL C C 15 175.500 175.500 175.491 0.009 17577 8752 1 11 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.961 0.739 17577 8753 1 11 . 1 1 15 15 VAL CB C 15 32.400 32.400 31.314 1.086 17577 8754 1 11 . 1 1 15 15 VAL H H 15 9.000 9.000 8.984 0.016 17577 8755 1 11 . 1 1 16 16 VAL N N 16 114.600 114.600 124.887 -10.287 17577 8756 1 11 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.426 0.224 17577 8757 1 11 . 1 1 16 16 VAL C C 16 175.900 175.900 174.470 1.430 17577 8758 1 11 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.647 0.553 17577 8759 1 11 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.390 0.210 17577 8760 1 11 . 1 1 16 16 VAL H H 16 8.420 8.420 7.747 0.673 17577 8761 1 11 . 1 1 17 17 ALA N N 17 122.900 122.900 121.408 1.492 17577 8762 1 11 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.002 0.268 17577 8763 1 11 . 1 1 17 17 ALA C C 17 174.200 174.200 175.652 -1.452 17577 8764 1 11 . 1 1 17 17 ALA CA C 17 53.100 53.100 49.819 3.281 17577 8765 1 11 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.203 2.897 17577 8766 1 11 . 1 1 17 17 ALA H H 17 7.590 7.590 7.260 0.330 17577 8767 1 11 . 1 1 18 18 LEU N N 18 118.000 118.000 121.991 -3.991 17577 8768 1 11 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.156 0.284 17577 8769 1 11 . 1 1 18 18 LEU C C 18 176.100 176.100 174.345 1.755 17577 8770 1 11 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.956 -0.956 17577 8771 1 11 . 1 1 18 18 LEU CB C 18 49.800 49.800 47.254 2.546 17577 8772 1 11 . 1 1 18 18 LEU H H 18 8.570 8.570 8.052 0.518 17577 8773 1 11 . 1 1 19 19 ALA N N 19 120.300 120.300 123.545 -3.245 17577 8774 1 11 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.584 -0.154 17577 8775 1 11 . 1 1 19 19 ALA C C 19 174.400 174.400 175.060 -0.660 17577 8776 1 11 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.368 1.332 17577 8777 1 11 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.638 0.462 17577 8778 1 11 . 1 1 19 19 ALA H H 19 8.360 8.360 8.319 0.041 17577 8779 1 11 . 1 1 20 20 SER N N 20 114.200 114.200 113.523 0.677 17577 8780 1 11 . 1 1 20 20 SER HA H 20 3.890 3.890 4.838 -0.948 17577 8781 1 11 . 1 1 20 20 SER C C 20 170.700 170.700 172.521 -1.821 17577 8782 1 11 . 1 1 20 20 SER CA C 20 57.200 57.200 57.617 -0.417 17577 8783 1 11 . 1 1 20 20 SER CB C 20 64.200 64.200 65.682 -1.482 17577 8784 1 11 . 1 1 20 20 SER H H 20 7.450 7.450 8.288 -0.838 17577 8785 1 11 . 1 1 21 21 ASN N N 21 117.500 117.500 118.206 -0.706 17577 8786 1 11 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.884 0.336 17577 8787 1 11 . 1 1 21 21 ASN C C 21 176.500 176.500 175.109 1.391 17577 8788 1 11 . 1 1 21 21 ASN CA C 21 52.500 52.500 52.620 -0.120 17577 8789 1 11 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.320 -0.020 17577 8790 1 11 . 1 1 21 21 ASN H H 21 7.980 7.980 8.354 -0.374 17577 8791 1 11 . 1 1 22 22 THR N N 22 112.100 112.100 119.639 -7.539 17577 8792 1 11 . 1 1 22 22 THR HA H 22 4.420 4.420 4.428 -0.008 17577 8793 1 11 . 1 1 22 22 THR C C 22 174.800 174.800 175.077 -0.277 17577 8794 1 11 . 1 1 22 22 THR CA C 22 63.200 63.200 62.819 0.381 17577 8795 1 11 . 1 1 22 22 THR CB C 22 71.800 71.800 69.224 2.576 17577 8796 1 11 . 1 1 22 22 THR H H 22 8.140 8.140 7.391 0.749 17577 8797 1 11 . 1 1 23 23 GLU N N 23 122.700 122.700 127.690 -4.990 17577 8798 1 11 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.890 0.860 17577 8799 1 11 . 1 1 23 23 GLU C C 23 178.800 178.800 177.462 1.338 17577 8800 1 11 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.757 1.543 17577 8801 1 11 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.527 0.773 17577 8802 1 11 . 1 1 23 23 GLU H H 23 8.980 8.980 8.599 0.381 17577 8803 1 11 . 1 1 24 24 PHE N N 24 118.200 118.200 119.714 -1.514 17577 8804 1 11 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.254 -0.274 17577 8805 1 11 . 1 1 24 24 PHE C C 24 175.900 175.900 176.810 -0.910 17577 8806 1 11 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.397 2.503 17577 8807 1 11 . 1 1 24 24 PHE CB C 24 40.700 40.700 39.030 1.670 17577 8808 1 11 . 1 1 24 24 PHE H H 24 8.610 8.610 7.893 0.717 17577 8809 1 11 . 1 1 25 25 PHE N N 25 119.000 119.000 118.492 0.508 17577 8810 1 11 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.086 -0.246 17577 8811 1 11 . 1 1 25 25 PHE C C 25 176.500 176.500 177.406 -0.906 17577 8812 1 11 . 1 1 25 25 PHE CA C 25 62.800 62.800 63.048 -0.248 17577 8813 1 11 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.170 1.230 17577 8814 1 11 . 1 1 25 25 PHE H H 25 7.730 7.730 8.320 -0.590 17577 8815 1 11 . 1 1 26 26 LEU N N 26 115.900 115.900 117.112 -1.212 17577 8816 1 11 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.015 -0.285 17577 8817 1 11 . 1 1 26 26 LEU C C 26 179.200 179.200 178.837 0.363 17577 8818 1 11 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.973 0.727 17577 8819 1 11 . 1 1 26 26 LEU CB C 26 42.000 42.000 40.991 1.009 17577 8820 1 11 . 1 1 26 26 LEU H H 26 8.380 8.380 7.635 0.745 17577 8821 1 11 . 1 1 27 27 ARG N N 27 116.900 116.900 119.962 -3.062 17577 8822 1 11 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.987 0.123 17577 8823 1 11 . 1 1 27 27 ARG C C 27 178.400 178.400 177.933 0.467 17577 8824 1 11 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.843 0.357 17577 8825 1 11 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.301 1.799 17577 8826 1 11 . 1 1 27 27 ARG H H 27 7.720 7.720 7.902 -0.182 17577 8827 1 11 . 1 1 28 28 GLU N N 28 116.000 116.000 117.601 -1.601 17577 8828 1 11 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.067 0.293 17577 8829 1 11 . 1 1 28 28 GLU C C 28 178.200 178.200 178.861 -0.661 17577 8830 1 11 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.426 -1.726 17577 8831 1 11 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.832 1.068 17577 8832 1 11 . 1 1 28 28 GLU H H 28 7.660 7.660 7.723 -0.063 17577 8833 1 11 . 1 1 29 29 LYS N N 29 120.700 120.700 119.150 1.550 17577 8834 1 11 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.104 0.036 17577 8835 1 11 . 1 1 29 29 LYS C C 29 177.900 177.900 178.937 -1.037 17577 8836 1 11 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.235 1.665 17577 8837 1 11 . 1 1 29 29 LYS CB C 29 31.400 31.400 31.857 -0.457 17577 8838 1 11 . 1 1 29 29 LYS H H 29 7.910 7.910 8.401 -0.491 17577 8839 1 11 . 1 1 30 30 ASP N N 30 118.800 118.800 117.850 0.950 17577 8840 1 11 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.414 -0.024 17577 8841 1 11 . 1 1 30 30 ASP C C 30 177.000 177.000 176.788 0.212 17577 8842 1 11 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.311 0.889 17577 8843 1 11 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.482 0.118 17577 8844 1 11 . 1 1 30 30 ASP H H 30 8.390 8.390 7.821 0.569 17577 8845 1 11 . 1 1 31 31 LYS N N 31 118.000 118.000 117.153 0.847 17577 8846 1 11 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.304 0.086 17577 8847 1 11 . 1 1 31 31 LYS C C 31 177.200 177.200 176.332 0.868 17577 8848 1 11 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.586 0.415 17577 8849 1 11 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.316 0.884 17577 8850 1 11 . 1 1 31 31 LYS H H 31 8.110 8.110 7.762 0.348 17577 8851 1 11 . 1 1 32 32 MET N N 32 120.300 120.300 118.184 2.116 17577 8852 1 11 . 1 1 32 32 MET HA H 32 4.520 4.520 4.334 0.186 17577 8853 1 11 . 1 1 32 32 MET C C 32 176.200 176.200 175.449 0.751 17577 8854 1 11 . 1 1 32 32 MET CA C 32 58.000 58.000 56.169 1.831 17577 8855 1 11 . 1 1 32 32 MET CB C 32 33.500 33.500 33.766 -0.266 17577 8856 1 11 . 1 1 32 32 MET H H 32 7.240 7.240 7.513 -0.273 17577 8857 1 11 . 1 1 33 33 LYS N N 33 120.200 120.200 116.390 3.810 17577 8858 1 11 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.560 0.140 17577 8859 1 11 . 1 1 33 33 LYS C C 33 173.000 173.000 175.323 -2.323 17577 8860 1 11 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.845 1.255 17577 8861 1 11 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.883 4.217 17577 8862 1 11 . 1 1 33 33 LYS H H 33 8.560 8.560 8.189 0.371 17577 8863 1 11 . 1 1 34 34 MET N N 34 118.300 118.300 120.634 -2.334 17577 8864 1 11 . 1 1 34 34 MET HA H 34 4.080 4.080 4.400 -0.320 17577 8865 1 11 . 1 1 34 34 MET C C 34 173.800 173.800 175.318 -1.518 17577 8866 1 11 . 1 1 34 34 MET CA C 34 59.500 59.500 56.462 3.038 17577 8867 1 11 . 1 1 34 34 MET CB C 34 35.700 35.700 33.466 2.234 17577 8868 1 11 . 1 1 34 34 MET H H 34 8.370 8.370 8.059 0.311 17577 8869 1 11 . 1 1 35 35 ALA N N 35 126.000 126.000 128.371 -2.371 17577 8870 1 11 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.239 0.021 17577 8871 1 11 . 1 1 35 35 ALA C C 35 176.100 176.100 176.104 -0.004 17577 8872 1 11 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.211 0.389 17577 8873 1 11 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.416 1.384 17577 8874 1 11 . 1 1 35 35 ALA H H 35 7.360 7.360 8.975 -1.615 17577 8875 1 11 . 1 1 36 36 MET N N 36 117.100 117.100 114.923 2.177 17577 8876 1 11 . 1 1 36 36 MET HA H 36 5.280 5.280 5.426 -0.146 17577 8877 1 11 . 1 1 36 36 MET C C 36 172.600 172.600 174.486 -1.886 17577 8878 1 11 . 1 1 36 36 MET CA C 36 56.100 56.100 52.599 3.501 17577 8879 1 11 . 1 1 36 36 MET CB C 36 39.600 39.600 36.243 3.357 17577 8880 1 11 . 1 1 36 36 MET H H 36 8.920 8.920 8.986 -0.066 17577 8881 1 11 . 1 1 37 37 ALA N N 37 121.700 121.700 120.569 1.131 17577 8882 1 11 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.839 0.591 17577 8883 1 11 . 1 1 37 37 ALA C C 37 175.400 175.400 175.164 0.236 17577 8884 1 11 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.591 -0.391 17577 8885 1 11 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.619 1.781 17577 8886 1 11 . 1 1 37 37 ALA H H 37 8.980 8.980 8.949 0.031 17577 8887 1 11 . 1 1 38 38 ARG N N 38 120.400 120.400 119.479 0.921 17577 8888 1 11 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.832 0.318 17577 8889 1 11 . 1 1 38 38 ARG C C 38 174.900 174.900 173.841 1.059 17577 8890 1 11 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.036 0.164 17577 8891 1 11 . 1 1 38 38 ARG CB C 38 34.600 34.600 34.077 0.523 17577 8892 1 11 . 1 1 38 38 ARG H H 38 9.180 9.180 7.901 1.279 17577 8893 1 11 . 1 1 39 39 ILE N N 39 126.000 126.000 124.479 1.521 17577 8894 1 11 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.946 -0.026 17577 8895 1 11 . 1 1 39 39 ILE C C 39 175.100 175.100 174.382 0.718 17577 8896 1 11 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.565 1.635 17577 8897 1 11 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.763 0.637 17577 8898 1 11 . 1 1 39 39 ILE H H 39 8.930 8.930 8.532 0.398 17577 8899 1 11 . 1 1 40 40 SER N N 40 121.700 121.700 121.560 0.140 17577 8900 1 11 . 1 1 40 40 SER HA H 40 4.630 4.630 4.784 -0.154 17577 8901 1 11 . 1 1 40 40 SER CA C 40 57.900 57.900 56.469 1.431 17577 8902 1 11 . 1 1 40 40 SER CB C 40 66.300 66.300 66.047 0.253 17577 8903 1 11 . 1 1 40 40 SER H H 40 8.780 8.780 8.482 0.298 17577 8904 1 11 . 1 1 41 41 PHE N N 41 122.300 122.300 122.628 -0.328 17577 8905 1 11 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.625 0.025 17577 8906 1 11 . 1 1 41 41 PHE C C 41 175.900 175.900 176.264 -0.364 17577 8907 1 11 . 1 1 41 41 PHE CA C 41 60.100 60.100 58.120 1.980 17577 8908 1 11 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.817 2.883 17577 8909 1 11 . 1 1 41 41 PHE H H 41 9.080 9.080 8.927 0.153 17577 8910 1 11 . 1 1 42 42 LEU N N 42 125.100 125.100 124.574 0.526 17577 8911 1 11 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.131 0.499 17577 8912 1 11 . 1 1 42 42 LEU C C 42 176.400 176.400 177.739 -1.339 17577 8913 1 11 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.266 -0.765 17577 8914 1 11 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.350 1.450 17577 8915 1 11 . 1 1 42 42 LEU H H 42 8.540 8.540 7.970 0.570 17577 8916 1 11 . 1 1 43 43 GLY N N 43 108.700 108.700 103.190 5.510 17577 8917 1 11 . 1 1 43 43 GLY C C 43 173.700 173.700 173.966 -0.266 17577 8918 1 11 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.897 1.003 17577 8919 1 11 . 1 1 43 43 GLY H H 43 8.310 8.310 7.863 0.447 17577 8920 1 11 . 1 1 44 44 GLU N N 44 120.300 120.300 120.734 -0.434 17577 8921 1 11 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.211 -0.101 17577 8922 1 11 . 1 1 44 44 GLU C C 44 177.200 177.200 176.460 0.740 17577 8923 1 11 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.936 0.664 17577 8924 1 11 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.814 0.986 17577 8925 1 11 . 1 1 44 44 GLU H H 44 8.900 8.900 8.699 0.201 17577 8926 1 11 . 1 1 45 45 ASP N N 45 115.200 115.200 116.323 -1.123 17577 8927 1 11 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.867 0.003 17577 8928 1 11 . 1 1 45 45 ASP C C 45 174.500 174.500 174.625 -0.125 17577 8929 1 11 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.865 0.934 17577 8930 1 11 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.715 1.985 17577 8931 1 11 . 1 1 45 45 ASP H H 45 8.500 8.500 8.224 0.276 17577 8932 1 11 . 1 1 46 46 GLU N N 46 117.800 117.800 118.860 -1.060 17577 8933 1 11 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.962 0.608 17577 8934 1 11 . 1 1 46 46 GLU C C 46 174.800 174.800 174.377 0.423 17577 8935 1 11 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.499 0.801 17577 8936 1 11 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.888 1.112 17577 8937 1 11 . 1 1 46 46 GLU H H 46 7.450 7.450 8.202 -0.752 17577 8938 1 11 . 1 1 47 47 LEU N N 47 124.200 124.200 122.219 1.981 17577 8939 1 11 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.198 -0.318 17577 8940 1 11 . 1 1 47 47 LEU C C 47 173.900 173.900 174.758 -0.858 17577 8941 1 11 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.992 2.308 17577 8942 1 11 . 1 1 47 47 LEU CB C 47 46.100 46.100 46.155 -0.055 17577 8943 1 11 . 1 1 47 47 LEU H H 47 9.160 9.160 8.826 0.334 17577 8944 1 11 . 1 1 48 48 LYS N N 48 123.800 123.800 122.561 1.239 17577 8945 1 11 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.632 0.318 17577 8946 1 11 . 1 1 48 48 LYS C C 48 174.300 174.300 174.607 -0.307 17577 8947 1 11 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.392 0.608 17577 8948 1 11 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.713 1.087 17577 8949 1 11 . 1 1 48 48 LYS H H 48 9.020 9.020 8.632 0.388 17577 8950 1 11 . 1 1 49 49 VAL N N 49 126.600 126.600 126.847 -0.247 17577 8951 1 11 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.871 -0.261 17577 8952 1 11 . 1 1 49 49 VAL C C 49 173.800 173.800 174.079 -0.279 17577 8953 1 11 . 1 1 49 49 VAL CA C 49 61.300 61.300 60.024 1.276 17577 8954 1 11 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.590 -0.290 17577 8955 1 11 . 1 1 49 49 VAL H H 49 8.920 8.920 9.095 -0.175 17577 8956 1 11 . 1 1 50 50 SER N N 50 120.900 120.900 119.459 1.441 17577 8957 1 11 . 1 1 50 50 SER HA H 50 4.860 4.860 4.848 0.012 17577 8958 1 11 . 1 1 50 50 SER CA C 50 57.300 57.300 56.059 1.241 17577 8959 1 11 . 1 1 50 50 SER CB C 50 65.100 65.100 65.080 0.020 17577 8960 1 11 . 1 1 50 50 SER H H 50 8.360 8.360 8.432 -0.072 17577 8961 1 11 . 1 1 51 51 TYR N N 51 122.000 122.000 123.019 -1.019 17577 8962 1 11 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.815 0.035 17577 8963 1 11 . 1 1 51 51 TYR C C 51 176.800 176.800 173.398 3.402 17577 8964 1 11 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.883 2.317 17577 8965 1 11 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.656 1.944 17577 8966 1 11 . 1 1 51 51 TYR H H 51 8.990 8.990 8.541 0.449 17577 8967 1 11 . 1 1 52 52 ALA N N 52 124.000 124.000 125.263 -1.263 17577 8968 1 11 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.639 0.231 17577 8969 1 11 . 1 1 52 52 ALA C C 52 174.800 174.800 175.012 -0.212 17577 8970 1 11 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.616 2.384 17577 8971 1 11 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.438 0.362 17577 8972 1 11 . 1 1 52 52 ALA H H 52 8.640 8.640 9.251 -0.611 17577 8973 1 11 . 1 1 53 53 VAL N N 53 124.300 124.300 124.263 0.037 17577 8974 1 11 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.531 0.239 17577 8975 1 11 . 1 1 53 53 VAL C C 53 174.200 174.200 173.822 0.378 17577 8976 1 11 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.348 0.952 17577 8977 1 11 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.426 2.074 17577 8978 1 11 . 1 1 53 53 VAL H H 53 9.120 9.120 8.256 0.864 17577 8979 1 11 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.519 0.181 17577 8980 1 11 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.671 2.029 17577 8981 1 11 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.616 0.284 17577 8982 1 11 . 1 1 55 55 LYS N N 55 121.100 121.100 121.216 -0.116 17577 8983 1 11 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.742 0.188 17577 8984 1 11 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.986 0.614 17577 8985 1 11 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.822 -0.422 17577 8986 1 11 . 1 1 55 55 LYS H H 55 8.040 8.040 8.146 -0.106 17577 8987 1 11 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.229 0.051 17577 8988 1 11 . 1 1 56 56 PRO C C 56 177.200 177.200 176.232 0.968 17577 8989 1 11 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.756 1.644 17577 8990 1 11 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.667 0.633 17577 8991 1 11 . 1 1 57 57 ASN N N 57 114.200 114.200 113.438 0.762 17577 8992 1 11 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.767 -0.047 17577 8993 1 11 . 1 1 57 57 ASN C C 57 174.900 174.900 175.082 -0.182 17577 8994 1 11 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.108 0.892 17577 8995 1 11 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.626 -0.326 17577 8996 1 11 . 1 1 57 57 ASN H H 57 8.370 8.370 8.370 0.000 17577 8997 1 11 . 1 1 58 58 GLY N N 58 106.500 106.500 108.061 -1.561 17577 8998 1 11 . 1 1 58 58 GLY C C 58 172.000 172.000 171.403 0.597 17577 8999 1 11 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.244 1.756 17577 9000 1 11 . 1 1 58 58 GLY H H 58 7.810 7.810 8.352 -0.542 17577 9001 1 11 . 1 1 60 60 ARG N N 60 132.300 132.300 124.879 7.421 17577 9002 1 11 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.721 -0.141 17577 9003 1 11 . 1 1 60 60 ARG C C 60 174.000 174.000 173.950 0.050 17577 9004 1 11 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.622 0.878 17577 9005 1 11 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.391 0.009 17577 9006 1 11 . 1 1 60 60 ARG H H 60 9.120 9.120 8.520 0.600 17577 9007 1 11 . 1 1 61 61 LYS N N 61 126.200 126.200 127.696 -1.496 17577 9008 1 11 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.836 0.684 17577 9009 1 11 . 1 1 61 61 LYS C C 61 175.900 175.900 174.894 1.006 17577 9010 1 11 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.203 0.897 17577 9011 1 11 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.173 0.927 17577 9012 1 11 . 1 1 61 61 LYS H H 61 8.500 8.500 8.504 -0.004 17577 9013 1 11 . 1 1 62 62 TRP N N 62 121.900 121.900 125.361 -3.461 17577 9014 1 11 . 1 1 62 62 TRP HA H 62 4.860 4.860 5.025 -0.165 17577 9015 1 11 . 1 1 62 62 TRP C C 62 171.900 171.900 173.979 -2.079 17577 9016 1 11 . 1 1 62 62 TRP CA C 62 57.700 57.700 55.762 1.938 17577 9017 1 11 . 1 1 62 62 TRP CB C 62 31.300 31.300 31.186 0.114 17577 9018 1 11 . 1 1 62 62 TRP H H 62 8.070 8.070 8.089 -0.019 17577 9019 1 11 . 1 1 63 63 GLU N N 63 117.100 117.100 121.458 -4.358 17577 9020 1 11 . 1 1 63 63 GLU HA H 63 5.610 5.610 5.021 0.589 17577 9021 1 11 . 1 1 63 63 GLU C C 63 175.500 175.500 175.605 -0.105 17577 9022 1 11 . 1 1 63 63 GLU CA C 63 55.200 55.200 55.193 0.007 17577 9023 1 11 . 1 1 63 63 GLU CB C 63 35.100 35.100 33.576 1.524 17577 9024 1 11 . 1 1 63 63 GLU H H 63 8.450 8.450 8.511 -0.061 17577 9025 1 11 . 1 1 64 64 THR N N 64 117.400 117.400 121.263 -3.863 17577 9026 1 11 . 1 1 64 64 THR HA H 64 4.600 4.600 4.724 -0.124 17577 9027 1 11 . 1 1 64 64 THR C C 64 171.800 171.800 173.187 -1.387 17577 9028 1 11 . 1 1 64 64 THR CA C 64 63.000 63.000 61.708 1.292 17577 9029 1 11 . 1 1 64 64 THR CB C 64 72.700 72.700 72.021 0.679 17577 9030 1 11 . 1 1 64 64 THR H H 64 8.980 8.980 9.459 -0.479 17577 9031 1 11 . 1 1 65 65 THR N N 65 119.100 119.100 120.332 -1.232 17577 9032 1 11 . 1 1 65 65 THR HA H 65 5.260 5.260 5.082 0.178 17577 9033 1 11 . 1 1 65 65 THR C C 65 173.700 173.700 172.981 0.719 17577 9034 1 11 . 1 1 65 65 THR CA C 65 62.300 62.300 62.094 0.206 17577 9035 1 11 . 1 1 65 65 THR CB C 65 71.100 71.100 70.326 0.774 17577 9036 1 11 . 1 1 65 65 THR H H 65 8.380 8.380 8.873 -0.493 17577 9037 1 11 . 1 1 66 66 PHE N N 66 123.400 123.400 125.495 -2.095 17577 9038 1 11 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.853 -0.023 17577 9039 1 11 . 1 1 66 66 PHE C C 66 174.200 174.200 172.627 1.573 17577 9040 1 11 . 1 1 66 66 PHE CA C 66 58.100 58.100 55.797 2.303 17577 9041 1 11 . 1 1 66 66 PHE CB C 66 45.600 45.600 41.479 4.121 17577 9042 1 11 . 1 1 66 66 PHE H H 66 9.590 9.590 9.294 0.296 17577 9043 1 11 . 1 1 67 67 LYS N N 67 119.700 119.700 126.100 -6.400 17577 9044 1 11 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.600 0.920 17577 9045 1 11 . 1 1 67 67 LYS C C 67 176.500 176.500 175.695 0.805 17577 9046 1 11 . 1 1 67 67 LYS CA C 67 55.500 55.500 53.764 1.736 17577 9047 1 11 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.548 0.752 17577 9048 1 11 . 1 1 67 67 LYS H H 67 8.880 8.880 8.926 -0.046 17577 9049 1 11 . 1 1 68 68 LYS N N 68 129.100 129.100 124.347 4.753 17577 9050 1 11 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.590 0.290 17577 9051 1 11 . 1 1 68 68 LYS C C 68 177.400 177.400 176.421 0.979 17577 9052 1 11 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.474 1.226 17577 9053 1 11 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.653 2.647 17577 9054 1 11 . 1 1 68 68 LYS H H 68 8.850 8.850 8.077 0.773 17577 9055 1 11 . 1 1 69 69 THR N N 69 118.500 118.500 119.096 -0.596 17577 9056 1 11 . 1 1 69 69 THR HA H 69 4.710 4.710 4.656 0.054 17577 9057 1 11 . 1 1 69 69 THR C C 69 174.600 174.600 174.809 -0.209 17577 9058 1 11 . 1 1 69 69 THR CA C 69 61.900 61.900 59.508 2.392 17577 9059 1 11 . 1 1 69 69 THR CB C 69 70.800 70.800 69.690 1.110 17577 9060 1 11 . 1 1 69 69 THR H H 69 8.720 8.720 8.458 0.262 17577 9061 1 11 . 1 1 70 70 SER N N 70 111.800 111.800 118.589 -6.789 17577 9062 1 11 . 1 1 70 70 SER HA H 70 4.420 4.420 4.584 -0.164 17577 9063 1 11 . 1 1 70 70 SER C C 70 174.500 174.500 174.261 0.239 17577 9064 1 11 . 1 1 70 70 SER CA C 70 59.300 59.300 58.311 0.989 17577 9065 1 11 . 1 1 70 70 SER CB C 70 64.400 64.400 61.578 2.822 17577 9066 1 11 . 1 1 70 70 SER H H 70 8.350 8.350 8.686 -0.336 17577 9067 1 11 . 1 1 71 71 ASP N N 71 121.100 121.100 123.348 -2.248 17577 9068 1 11 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.476 -0.096 17577 9069 1 11 . 1 1 71 71 ASP C C 71 175.600 175.600 176.048 -0.448 17577 9070 1 11 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.578 -0.478 17577 9071 1 11 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.927 1.073 17577 9072 1 11 . 1 1 71 71 ASP H H 71 7.960 7.960 8.356 -0.396 17577 9073 1 11 . 1 1 72 72 ASP N N 72 121.000 121.000 117.781 3.219 17577 9074 1 11 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.665 -0.215 17577 9075 1 11 . 1 1 72 72 ASP C C 72 175.900 175.900 176.167 -0.267 17577 9076 1 11 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.081 2.019 17577 9077 1 11 . 1 1 72 72 ASP CB C 72 42.100 42.100 41.060 1.040 17577 9078 1 11 . 1 1 72 72 ASP H H 72 8.500 8.500 8.129 0.371 17577 9079 1 11 . 1 1 73 73 GLY N N 73 109.100 109.100 115.025 -5.925 17577 9080 1 11 . 1 1 73 73 GLY C C 73 172.800 172.800 174.501 -1.701 17577 9081 1 11 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.485 0.015 17577 9082 1 11 . 1 1 73 73 GLY H H 73 8.200 8.200 8.283 -0.083 17577 9083 1 11 . 1 1 74 74 GLU N N 74 123.300 123.300 126.166 -2.866 17577 9084 1 11 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.673 0.097 17577 9085 1 11 . 1 1 74 74 GLU C C 74 173.600 173.600 174.543 -0.943 17577 9086 1 11 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.449 -0.049 17577 9087 1 11 . 1 1 74 74 GLU CB C 74 30.600 30.600 29.876 0.724 17577 9088 1 11 . 1 1 74 74 GLU H H 74 8.780 8.780 8.381 0.399 17577 9089 1 11 . 1 1 75 75 VAL N N 75 123.500 123.500 119.969 3.531 17577 9090 1 11 . 1 1 75 75 VAL HA H 75 5.040 5.040 3.715 1.325 17577 9091 1 11 . 1 1 75 75 VAL C C 75 174.100 174.100 174.189 -0.089 17577 9092 1 11 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.587 1.913 17577 9093 1 11 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.634 -1.634 17577 9094 1 11 . 1 1 75 75 VAL H H 75 7.870 7.870 8.054 -0.184 17577 9095 1 11 . 1 1 76 76 TYR N N 76 125.000 125.000 120.892 4.108 17577 9096 1 11 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.403 0.837 17577 9097 1 11 . 1 1 76 76 TYR C C 76 174.300 174.300 174.194 0.106 17577 9098 1 11 . 1 1 76 76 TYR CA C 76 57.800 57.800 54.993 2.807 17577 9099 1 11 . 1 1 76 76 TYR CB C 76 43.700 43.700 38.940 4.760 17577 9100 1 11 . 1 1 76 76 TYR H H 76 9.360 9.360 7.462 1.898 17577 9101 1 11 . 1 1 77 77 TYR N N 77 120.500 120.500 122.759 -2.259 17577 9102 1 11 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.938 0.942 17577 9103 1 11 . 1 1 77 77 TYR C C 77 174.600 174.600 174.170 0.430 17577 9104 1 11 . 1 1 77 77 TYR CA C 77 58.000 58.000 57.509 0.491 17577 9105 1 11 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.583 2.017 17577 9106 1 11 . 1 1 77 77 TYR H H 77 9.480 9.480 8.819 0.661 17577 9107 1 11 . 1 1 78 78 SER N N 78 125.100 125.100 122.141 2.959 17577 9108 1 11 . 1 1 78 78 SER HA H 78 4.830 4.830 5.024 -0.194 17577 9109 1 11 . 1 1 78 78 SER C C 78 174.300 174.300 175.196 -0.896 17577 9110 1 11 . 1 1 78 78 SER CA C 78 55.600 55.600 56.592 -0.992 17577 9111 1 11 . 1 1 78 78 SER CB C 78 64.400 64.400 63.651 0.749 17577 9112 1 11 . 1 1 78 78 SER H H 78 8.570 8.570 8.308 0.262 17577 9113 1 11 . 1 1 79 79 GLU N N 79 130.000 130.000 128.683 1.317 17577 9114 1 11 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.220 -0.240 17577 9115 1 11 . 1 1 79 79 GLU C C 79 178.600 178.600 177.756 0.844 17577 9116 1 11 . 1 1 79 79 GLU CA C 79 60.100 60.100 60.374 -0.274 17577 9117 1 11 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.730 0.770 17577 9118 1 11 . 1 1 79 79 GLU H H 79 8.670 8.670 9.218 -0.548 17577 9119 1 11 . 1 1 80 80 GLU N N 80 118.900 118.900 117.425 1.475 17577 9120 1 11 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.207 -0.207 17577 9121 1 11 . 1 1 80 80 GLU C C 80 177.700 177.700 177.559 0.141 17577 9122 1 11 . 1 1 80 80 GLU CA C 80 60.000 60.000 57.941 2.059 17577 9123 1 11 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.759 0.740 17577 9124 1 11 . 1 1 80 80 GLU H H 80 8.560 8.560 8.525 0.035 17577 9125 1 11 . 1 1 81 81 ALA N N 81 117.600 117.600 119.736 -2.136 17577 9126 1 11 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.350 0.040 17577 9127 1 11 . 1 1 81 81 ALA C C 81 176.000 176.000 177.257 -1.257 17577 9128 1 11 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.164 1.236 17577 9129 1 11 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.120 1.480 17577 9130 1 11 . 1 1 81 81 ALA H H 81 7.410 7.410 7.415 -0.005 17577 9131 1 11 . 1 1 82 82 LYS N N 82 118.300 118.300 116.665 1.635 17577 9132 1 11 . 1 1 82 82 LYS HA H 82 3.870 3.870 4.045 -0.175 17577 9133 1 11 . 1 1 82 82 LYS C C 82 175.100 175.100 174.668 0.432 17577 9134 1 11 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.246 -0.046 17577 9135 1 11 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.315 0.985 17577 9136 1 11 . 1 1 82 82 LYS H H 82 7.830 7.830 7.870 -0.040 17577 9137 1 11 . 1 1 83 83 LYS N N 83 118.400 118.400 118.593 -0.193 17577 9138 1 11 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.686 0.754 17577 9139 1 11 . 1 1 83 83 LYS C C 83 172.400 172.400 173.966 -1.566 17577 9140 1 11 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.238 0.262 17577 9141 1 11 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.657 3.443 17577 9142 1 11 . 1 1 83 83 LYS H H 83 7.150 7.150 7.042 0.108 17577 9143 1 11 . 1 1 84 84 LYS N N 84 130.000 130.000 125.319 4.681 17577 9144 1 11 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.875 0.805 17577 9145 1 11 . 1 1 84 84 LYS C C 84 174.900 174.900 174.246 0.654 17577 9146 1 11 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.362 1.337 17577 9147 1 11 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.261 1.740 17577 9148 1 11 . 1 1 84 84 LYS H H 84 9.540 9.540 8.869 0.671 17577 9149 1 11 . 1 1 85 85 VAL N N 85 121.100 121.100 118.347 2.753 17577 9150 1 11 . 1 1 85 85 VAL HA H 85 4.980 4.980 4.974 0.006 17577 9151 1 11 . 1 1 85 85 VAL C C 85 173.000 173.000 174.262 -1.262 17577 9152 1 11 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.621 1.779 17577 9153 1 11 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.732 1.968 17577 9154 1 11 . 1 1 85 85 VAL H H 85 9.510 9.510 8.099 1.411 17577 9155 1 11 . 1 1 86 86 GLU N N 86 123.700 123.700 126.908 -3.208 17577 9156 1 11 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.398 0.922 17577 9157 1 11 . 1 1 86 86 GLU C C 86 175.800 175.800 174.200 1.600 17577 9158 1 11 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.916 0.784 17577 9159 1 11 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.640 0.560 17577 9160 1 11 . 1 1 86 86 GLU H H 86 8.830 8.830 8.930 -0.100 17577 9161 1 11 . 1 1 87 87 VAL N N 87 125.400 125.400 128.335 -2.935 17577 9162 1 11 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.149 0.021 17577 9163 1 11 . 1 1 87 87 VAL C C 87 176.000 176.000 175.504 0.496 17577 9164 1 11 . 1 1 87 87 VAL CA C 87 63.500 63.500 62.148 1.353 17577 9165 1 11 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.203 -0.203 17577 9166 1 11 . 1 1 87 87 VAL H H 87 8.760 8.760 8.639 0.121 17577 9167 1 11 . 1 1 88 88 LEU N N 88 128.000 128.000 128.242 -0.242 17577 9168 1 11 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.375 0.015 17577 9169 1 11 . 1 1 88 88 LEU C C 88 177.200 177.200 177.423 -0.223 17577 9170 1 11 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.515 1.485 17577 9171 1 11 . 1 1 88 88 LEU CB C 88 44.200 44.200 41.589 2.611 17577 9172 1 11 . 1 1 88 88 LEU H H 88 8.990 8.990 8.338 0.652 17577 9173 1 11 . 1 1 89 89 ASP N N 89 113.900 113.900 119.815 -5.915 17577 9174 1 11 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.880 -0.100 17577 9175 1 11 . 1 1 89 89 ASP C C 89 173.900 173.900 174.161 -0.261 17577 9176 1 11 . 1 1 89 89 ASP CA C 89 55.900 55.900 53.947 1.953 17577 9177 1 11 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.127 2.473 17577 9178 1 11 . 1 1 89 89 ASP H H 89 7.140 7.140 7.781 -0.641 17577 9179 1 11 . 1 1 90 90 THR N N 90 119.500 119.500 118.534 0.966 17577 9180 1 11 . 1 1 90 90 THR HA H 90 3.800 3.800 4.444 -0.644 17577 9181 1 11 . 1 1 90 90 THR C C 90 169.800 169.800 173.234 -3.434 17577 9182 1 11 . 1 1 90 90 THR CA C 90 61.500 61.500 61.459 0.041 17577 9183 1 11 . 1 1 90 90 THR CB C 90 69.200 69.200 70.294 -1.094 17577 9184 1 11 . 1 1 90 90 THR H H 90 8.070 8.070 8.282 -0.212 17577 9185 1 11 . 1 1 91 91 ASP N N 91 122.400 122.400 128.477 -6.077 17577 9186 1 11 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.400 0.450 17577 9187 1 11 . 1 1 91 91 ASP C C 91 176.800 176.800 176.275 0.525 17577 9188 1 11 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.866 -0.966 17577 9189 1 11 . 1 1 91 91 ASP CB C 91 41.900 41.900 40.920 0.980 17577 9190 1 11 . 1 1 91 91 ASP H H 91 6.790 6.790 8.692 -1.902 17577 9191 1 11 . 1 1 92 92 TYR N N 92 115.100 115.100 113.917 1.183 17577 9192 1 11 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.913 -0.403 17577 9193 1 11 . 1 1 92 92 TYR C C 92 173.900 173.900 174.539 -0.639 17577 9194 1 11 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.583 2.717 17577 9195 1 11 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.392 0.208 17577 9196 1 11 . 1 1 92 92 TYR H H 92 9.420 9.420 8.192 1.228 17577 9197 1 11 . 1 1 93 93 LYS N N 93 112.300 112.300 115.819 -3.519 17577 9198 1 11 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.281 0.389 17577 9199 1 11 . 1 1 93 93 LYS C C 93 175.600 175.600 175.175 0.425 17577 9200 1 11 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.834 2.666 17577 9201 1 11 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.382 4.418 17577 9202 1 11 . 1 1 93 93 LYS H H 93 8.080 8.080 8.358 -0.278 17577 9203 1 11 . 1 1 94 94 SER N N 94 120.300 120.300 112.135 8.165 17577 9204 1 11 . 1 1 94 94 SER HA H 94 4.820 4.820 4.538 0.282 17577 9205 1 11 . 1 1 94 94 SER CA C 94 61.200 61.200 58.952 2.248 17577 9206 1 11 . 1 1 94 94 SER CB C 94 68.800 68.800 65.594 3.207 17577 9207 1 11 . 1 1 94 94 SER H H 94 11.420 11.420 7.484 3.936 17577 9208 1 11 . 1 1 95 95 TYR N N 95 122.700 122.700 114.883 7.817 17577 9209 1 11 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.072 1.078 17577 9210 1 11 . 1 1 95 95 TYR C C 95 173.500 173.500 173.159 0.341 17577 9211 1 11 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.232 2.368 17577 9212 1 11 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.651 1.949 17577 9213 1 11 . 1 1 95 95 TYR H H 95 8.490 8.490 7.091 1.399 17577 9214 1 11 . 1 1 96 96 ALA N N 96 120.900 120.900 119.892 1.008 17577 9215 1 11 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.701 -0.151 17577 9216 1 11 . 1 1 96 96 ALA C C 96 174.700 174.700 175.055 -0.355 17577 9217 1 11 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.634 1.866 17577 9218 1 11 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.534 1.166 17577 9219 1 11 . 1 1 96 96 ALA H H 96 9.010 9.010 8.341 0.669 17577 9220 1 11 . 1 1 97 97 VAL N N 97 121.700 121.700 122.280 -0.580 17577 9221 1 11 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.343 -0.323 17577 9222 1 11 . 1 1 97 97 VAL C C 97 174.300 174.300 174.896 -0.596 17577 9223 1 11 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.120 2.080 17577 9224 1 11 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.442 0.158 17577 9225 1 11 . 1 1 97 97 VAL H H 97 9.310 9.310 8.745 0.565 17577 9226 1 11 . 1 1 98 98 ILE N N 98 129.600 129.600 126.087 3.513 17577 9227 1 11 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.709 0.341 17577 9228 1 11 . 1 1 98 98 ILE C C 98 174.000 174.000 174.009 -0.009 17577 9229 1 11 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.955 -0.755 17577 9230 1 11 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.571 0.129 17577 9231 1 11 . 1 1 98 98 ILE H H 98 9.550 9.550 8.331 1.219 17577 9232 1 11 . 1 1 99 99 TYR N N 99 128.100 128.100 126.970 1.130 17577 9233 1 11 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.828 0.432 17577 9234 1 11 . 1 1 99 99 TYR C C 99 173.700 173.700 173.829 -0.129 17577 9235 1 11 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.876 0.825 17577 9236 1 11 . 1 1 99 99 TYR CB C 99 42.200 42.200 40.129 2.071 17577 9237 1 11 . 1 1 99 99 TYR H H 99 9.550 9.550 9.175 0.375 17577 9238 1 11 . 1 1 100 100 ALA N N 100 134.400 134.400 131.626 2.774 17577 9239 1 11 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.169 0.551 17577 9240 1 11 . 1 1 100 100 ALA C C 100 175.500 175.500 175.691 -0.191 17577 9241 1 11 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.947 1.453 17577 9242 1 11 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.508 3.392 17577 9243 1 11 . 1 1 100 100 ALA H H 100 9.610 9.610 8.657 0.953 17577 9244 1 11 . 1 1 101 101 THR N N 101 116.200 116.200 119.263 -3.063 17577 9245 1 11 . 1 1 101 101 THR HA H 101 5.450 5.450 4.775 0.675 17577 9246 1 11 . 1 1 101 101 THR C C 101 173.600 173.600 172.915 0.685 17577 9247 1 11 . 1 1 101 101 THR CA C 101 62.000 62.000 61.341 0.659 17577 9248 1 11 . 1 1 101 101 THR CB C 101 73.100 73.100 71.465 1.635 17577 9249 1 11 . 1 1 101 101 THR H H 101 9.430 9.430 8.773 0.657 17577 9250 1 11 . 1 1 102 102 ARG N N 102 125.700 125.700 128.269 -2.569 17577 9251 1 11 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.833 0.377 17577 9252 1 11 . 1 1 102 102 ARG C C 102 173.900 173.900 173.292 0.608 17577 9253 1 11 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.279 1.221 17577 9254 1 11 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.217 2.883 17577 9255 1 11 . 1 1 102 102 ARG H H 102 8.970 8.970 8.269 0.701 17577 9256 1 11 . 1 1 103 103 VAL N N 103 122.100 122.100 126.389 -4.289 17577 9257 1 11 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.501 0.269 17577 9258 1 11 . 1 1 103 103 VAL C C 103 175.700 175.700 174.015 1.685 17577 9259 1 11 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.208 2.192 17577 9260 1 11 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.698 -0.298 17577 9261 1 11 . 1 1 103 103 VAL H H 103 7.870 7.870 7.977 -0.107 17577 9262 1 11 . 1 1 104 104 LYS N N 104 130.100 130.100 127.524 2.576 17577 9263 1 11 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.480 -0.020 17577 9264 1 11 . 1 1 104 104 LYS C C 104 175.400 175.400 176.135 -0.735 17577 9265 1 11 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.516 1.484 17577 9266 1 11 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.873 1.528 17577 9267 1 11 . 1 1 104 104 LYS H H 104 8.980 8.980 8.557 0.423 17577 9268 1 11 . 1 1 106 106 GLY N N 106 136.200 136.200 111.080 25.120 17577 9269 1 11 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.141 1.259 17577 9270 1 11 . 1 1 106 106 GLY H H 106 8.330 8.330 8.401 -0.071 17577 9271 1 11 . 1 1 107 107 ARG N N 107 121.300 121.300 120.427 0.873 17577 9272 1 11 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.694 -0.024 17577 9273 1 11 . 1 1 107 107 ARG C C 107 174.500 174.500 174.539 -0.039 17577 9274 1 11 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.784 0.616 17577 9275 1 11 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.468 -0.268 17577 9276 1 11 . 1 1 107 107 ARG H H 107 7.880 7.880 8.029 -0.149 17577 9277 1 11 . 1 1 108 108 THR N N 108 118.800 118.800 116.515 2.285 17577 9278 1 11 . 1 1 108 108 THR HA H 108 4.490 4.490 4.590 -0.100 17577 9279 1 11 . 1 1 108 108 THR C C 108 173.400 173.400 173.691 -0.291 17577 9280 1 11 . 1 1 108 108 THR CA C 108 64.100 64.100 61.597 2.503 17577 9281 1 11 . 1 1 108 108 THR CB C 108 69.800 69.800 70.255 -0.455 17577 9282 1 11 . 1 1 108 108 THR H H 108 8.650 8.650 8.305 0.345 17577 9283 1 11 . 1 1 109 109 LEU N N 109 128.900 128.900 122.941 5.959 17577 9284 1 11 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.797 -0.067 17577 9285 1 11 . 1 1 109 109 LEU C C 109 175.700 175.700 174.684 1.016 17577 9286 1 11 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.418 -0.118 17577 9287 1 11 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.109 0.391 17577 9288 1 11 . 1 1 109 109 LEU H H 109 9.220 9.220 8.068 1.152 17577 9289 1 11 . 1 1 110 110 HIS N N 110 116.200 116.200 117.483 -1.283 17577 9290 1 11 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.148 0.892 17577 9291 1 11 . 1 1 110 110 HIS C C 110 175.300 175.300 173.555 1.745 17577 9292 1 11 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.128 1.172 17577 9293 1 11 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.582 1.918 17577 9294 1 11 . 1 1 110 110 HIS H H 110 8.490 8.490 8.123 0.367 17577 9295 1 11 . 1 1 111 111 MET N N 111 123.400 123.400 116.245 7.155 17577 9296 1 11 . 1 1 111 111 MET HA H 111 4.550 4.550 4.721 -0.171 17577 9297 1 11 . 1 1 111 111 MET C C 111 174.000 174.000 173.287 0.713 17577 9298 1 11 . 1 1 111 111 MET CA C 111 56.600 56.600 54.721 1.879 17577 9299 1 11 . 1 1 111 111 MET CB C 111 37.800 37.800 36.813 0.987 17577 9300 1 11 . 1 1 111 111 MET H H 111 9.090 9.090 8.633 0.457 17577 9301 1 11 . 1 1 112 112 MET N N 112 122.900 122.900 121.292 1.608 17577 9302 1 11 . 1 1 112 112 MET HA H 112 5.670 5.670 5.071 0.599 17577 9303 1 11 . 1 1 112 112 MET C C 112 175.400 175.400 174.710 0.690 17577 9304 1 11 . 1 1 112 112 MET CA C 112 55.100 55.100 54.115 0.985 17577 9305 1 11 . 1 1 112 112 MET CB C 112 37.200 37.200 36.200 1.000 17577 9306 1 11 . 1 1 112 112 MET H H 112 9.120 9.120 7.915 1.205 17577 9307 1 11 . 1 1 113 113 ARG N N 113 119.500 119.500 119.423 0.077 17577 9308 1 11 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.802 0.248 17577 9309 1 11 . 1 1 113 113 ARG C C 113 173.800 173.800 173.677 0.123 17577 9310 1 11 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.598 1.402 17577 9311 1 11 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.923 3.677 17577 9312 1 11 . 1 1 113 113 ARG H H 113 9.390 9.390 8.417 0.973 17577 9313 1 11 . 1 1 114 114 LEU N N 114 124.400 124.400 120.406 3.994 17577 9314 1 11 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.395 -0.365 17577 9315 1 11 . 1 1 114 114 LEU C C 114 174.200 174.200 174.446 -0.246 17577 9316 1 11 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.417 0.683 17577 9317 1 11 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.871 -0.971 17577 9318 1 11 . 1 1 114 114 LEU H H 114 8.020 8.020 7.643 0.377 17577 9319 1 11 . 1 1 115 115 TYR N N 115 126.000 126.000 123.526 2.474 17577 9320 1 11 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.814 -0.014 17577 9321 1 11 . 1 1 115 115 TYR C C 115 176.500 176.500 176.137 0.363 17577 9322 1 11 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.236 1.764 17577 9323 1 11 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.678 1.222 17577 9324 1 11 . 1 1 115 115 TYR H H 115 9.540 9.540 9.612 -0.072 17577 9325 1 11 . 1 1 116 116 SER N N 116 113.200 113.200 114.190 -0.990 17577 9326 1 11 . 1 1 116 116 SER HA H 116 5.840 5.840 5.266 0.574 17577 9327 1 11 . 1 1 116 116 SER C C 116 175.400 175.400 174.461 0.939 17577 9328 1 11 . 1 1 116 116 SER CA C 116 56.600 56.600 55.982 0.618 17577 9329 1 11 . 1 1 116 116 SER CB C 116 67.700 67.700 65.715 1.985 17577 9330 1 11 . 1 1 116 116 SER H H 116 9.930 9.930 8.280 1.650 17577 9331 1 11 . 1 1 117 117 ARG N N 117 130.500 130.500 125.620 4.880 17577 9332 1 11 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.398 -0.718 17577 9333 1 11 . 1 1 117 117 ARG C C 117 175.400 175.400 176.617 -1.217 17577 9334 1 11 . 1 1 117 117 ARG CA C 117 58.300 58.300 55.990 2.310 17577 9335 1 11 . 1 1 117 117 ARG CB C 117 32.500 32.500 31.043 1.457 17577 9336 1 11 . 1 1 117 117 ARG H H 117 8.350 8.350 9.005 -0.655 17577 9337 1 11 . 1 1 118 118 SER N N 118 111.300 111.300 112.593 -1.293 17577 9338 1 11 . 1 1 118 118 SER HA H 118 4.990 4.990 4.960 0.030 17577 9339 1 11 . 1 1 118 118 SER C C 118 173.400 173.400 172.592 0.808 17577 9340 1 11 . 1 1 118 118 SER CA C 118 54.800 54.800 54.566 0.234 17577 9341 1 11 . 1 1 118 118 SER CB C 118 65.800 65.800 64.665 1.135 17577 9342 1 11 . 1 1 118 118 SER H H 118 7.980 7.980 7.535 0.445 17577 9343 1 11 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.351 0.619 17577 9344 1 11 . 1 1 119 119 PRO C C 119 175.500 175.500 176.371 -0.871 17577 9345 1 11 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.029 1.071 17577 9346 1 11 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.822 0.378 17577 9347 1 11 . 1 1 120 120 GLU N N 120 117.500 117.500 115.839 1.661 17577 9348 1 11 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.346 -0.086 17577 9349 1 11 . 1 1 120 120 GLU C C 120 174.500 174.500 175.265 -0.765 17577 9350 1 11 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.421 0.379 17577 9351 1 11 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.577 -1.877 17577 9352 1 11 . 1 1 120 120 GLU H H 120 7.410 7.410 7.359 0.051 17577 9353 1 11 . 1 1 121 121 VAL N N 121 124.900 124.900 117.825 7.075 17577 9354 1 11 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.184 -0.044 17577 9355 1 11 . 1 1 121 121 VAL C C 121 174.400 174.400 175.810 -1.410 17577 9356 1 11 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.981 0.719 17577 9357 1 11 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.021 1.079 17577 9358 1 11 . 1 1 121 121 VAL H H 121 7.900 7.900 8.185 -0.285 17577 9359 1 11 . 1 1 122 122 SER N N 122 124.500 124.500 122.347 2.153 17577 9360 1 11 . 1 1 122 122 SER HA H 122 4.750 4.750 4.767 -0.017 17577 9361 1 11 . 1 1 122 122 SER CA C 122 57.300 57.300 54.816 2.484 17577 9362 1 11 . 1 1 122 122 SER CB C 122 64.500 64.500 64.178 0.322 17577 9363 1 11 . 1 1 122 122 SER H H 122 8.680 8.680 8.405 0.275 17577 9364 1 11 . 1 1 123 123 PRO C C 123 175.600 175.600 177.452 -1.852 17577 9365 1 11 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.599 0.301 17577 9366 1 11 . 1 1 124 124 ALA N N 124 120.100 120.100 118.188 1.912 17577 9367 1 11 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.113 -0.043 17577 9368 1 11 . 1 1 124 124 ALA C C 124 179.900 179.900 179.089 0.811 17577 9369 1 11 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.392 1.408 17577 9370 1 11 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.042 1.058 17577 9371 1 11 . 1 1 124 124 ALA H H 124 8.030 8.030 7.541 0.489 17577 9372 1 11 . 1 1 125 125 ALA N N 125 121.100 121.100 121.925 -0.825 17577 9373 1 11 . 1 1 125 125 ALA HA H 125 3.430 3.430 2.992 0.438 17577 9374 1 11 . 1 1 125 125 ALA C C 125 179.200 179.200 179.498 -0.298 17577 9375 1 11 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.502 1.098 17577 9376 1 11 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.177 1.022 17577 9377 1 11 . 1 1 125 125 ALA H H 125 7.510 7.510 8.016 -0.506 17577 9378 1 11 . 1 1 126 126 THR N N 126 113.200 113.200 114.043 -0.843 17577 9379 1 11 . 1 1 126 126 THR HA H 126 4.150 4.150 4.078 0.072 17577 9380 1 11 . 1 1 126 126 THR C C 126 176.100 176.100 176.390 -0.290 17577 9381 1 11 . 1 1 126 126 THR CA C 126 68.900 68.900 66.159 2.741 17577 9382 1 11 . 1 1 126 126 THR CB C 126 67.700 67.700 68.852 -1.152 17577 9383 1 11 . 1 1 126 126 THR H H 126 7.820 7.820 7.868 -0.048 17577 9384 1 11 . 1 1 127 127 ALA N N 127 123.100 123.100 124.933 -1.833 17577 9385 1 11 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.095 -0.015 17577 9386 1 11 . 1 1 127 127 ALA C C 127 181.100 181.100 178.803 2.297 17577 9387 1 11 . 1 1 127 127 ALA CA C 127 56.200 56.200 55.069 1.131 17577 9388 1 11 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.386 0.314 17577 9389 1 11 . 1 1 127 127 ALA H H 127 7.900 7.900 7.730 0.170 17577 9390 1 11 . 1 1 128 128 ILE N N 128 120.900 120.900 119.994 0.906 17577 9391 1 11 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.801 -0.061 17577 9392 1 11 . 1 1 128 128 ILE C C 128 177.300 177.300 177.026 0.274 17577 9393 1 11 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.468 2.132 17577 9394 1 11 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.907 2.493 17577 9395 1 11 . 1 1 128 128 ILE H H 128 7.640 7.640 8.196 -0.556 17577 9396 1 11 . 1 1 129 129 PHE N N 129 120.300 120.300 120.252 0.048 17577 9397 1 11 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.089 -0.079 17577 9398 1 11 . 1 1 129 129 PHE C C 129 176.100 176.100 176.986 -0.886 17577 9399 1 11 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.405 1.895 17577 9400 1 11 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.615 2.285 17577 9401 1 11 . 1 1 129 129 PHE H H 129 8.250 8.250 7.694 0.556 17577 9402 1 11 . 1 1 130 130 ARG N N 130 116.300 116.300 118.749 -2.449 17577 9403 1 11 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.486 0.074 17577 9404 1 11 . 1 1 130 130 ARG C C 130 179.400 179.400 177.983 1.417 17577 9405 1 11 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.067 2.033 17577 9406 1 11 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.053 0.547 17577 9407 1 11 . 1 1 130 130 ARG H H 130 8.650 8.650 7.685 0.965 17577 9408 1 11 . 1 1 131 131 LYS N N 131 122.200 122.200 121.090 1.110 17577 9409 1 11 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.858 0.172 17577 9410 1 11 . 1 1 131 131 LYS C C 131 179.300 179.300 178.797 0.503 17577 9411 1 11 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.863 0.637 17577 9412 1 11 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.254 0.946 17577 9413 1 11 . 1 1 131 131 LYS H H 131 8.020 8.020 8.061 -0.041 17577 9414 1 11 . 1 1 132 132 LEU N N 132 120.300 120.300 118.253 2.047 17577 9415 1 11 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.910 0.020 17577 9416 1 11 . 1 1 132 132 LEU C C 132 179.600 179.600 178.914 0.686 17577 9417 1 11 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.310 1.290 17577 9418 1 11 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.548 0.952 17577 9419 1 11 . 1 1 132 132 LEU H H 132 8.450 8.450 7.558 0.892 17577 9420 1 11 . 1 1 133 133 ALA N N 133 122.400 122.400 120.332 2.068 17577 9421 1 11 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.684 0.286 17577 9422 1 11 . 1 1 133 133 ALA C C 133 180.400 180.400 179.267 1.133 17577 9423 1 11 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.449 1.551 17577 9424 1 11 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.006 -0.106 17577 9425 1 11 . 1 1 133 133 ALA H H 133 8.750 8.750 7.390 1.360 17577 9426 1 11 . 1 1 134 134 GLY N N 134 107.400 107.400 105.329 2.071 17577 9427 1 11 . 1 1 134 134 GLY C C 134 178.200 178.200 176.434 1.766 17577 9428 1 11 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.630 1.470 17577 9429 1 11 . 1 1 134 134 GLY H H 134 8.130 8.130 8.164 -0.034 17577 9430 1 11 . 1 1 135 135 GLU N N 135 121.900 121.900 120.512 1.388 17577 9431 1 11 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.105 -0.055 17577 9432 1 11 . 1 1 135 135 GLU C C 135 177.400 177.400 177.530 -0.130 17577 9433 1 11 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.182 1.118 17577 9434 1 11 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.423 0.977 17577 9435 1 11 . 1 1 135 135 GLU H H 135 7.730 7.730 7.561 0.169 17577 9436 1 11 . 1 1 136 136 ARG N N 136 118.000 118.000 117.920 0.080 17577 9437 1 11 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.442 -0.292 17577 9438 1 11 . 1 1 136 136 ARG C C 136 173.500 173.500 175.240 -1.740 17577 9439 1 11 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.493 0.307 17577 9440 1 11 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.410 -1.510 17577 9441 1 11 . 1 1 136 136 ARG H H 136 7.130 7.130 7.300 -0.170 17577 9442 1 11 . 1 1 137 137 ASN N N 137 109.600 109.600 116.204 -6.604 17577 9443 1 11 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.412 -0.262 17577 9444 1 11 . 1 1 137 137 ASN C C 137 174.200 174.200 174.929 -0.729 17577 9445 1 11 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.068 1.932 17577 9446 1 11 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.772 0.428 17577 9447 1 11 . 1 1 137 137 ASN H H 137 7.560 7.560 8.313 -0.753 17577 9448 1 11 . 1 1 138 138 TYR N N 138 118.600 118.600 117.451 1.149 17577 9449 1 11 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.675 0.615 17577 9450 1 11 . 1 1 138 138 TYR C C 138 175.900 175.900 175.223 0.677 17577 9451 1 11 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.860 0.840 17577 9452 1 11 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.272 -1.672 17577 9453 1 11 . 1 1 138 138 TYR H H 138 8.020 8.020 7.992 0.028 17577 9454 1 11 . 1 1 139 139 THR N N 139 115.000 115.000 111.621 3.379 17577 9455 1 11 . 1 1 139 139 THR HA H 139 4.420 4.420 4.173 0.247 17577 9456 1 11 . 1 1 139 139 THR C C 139 175.500 175.500 175.081 0.419 17577 9457 1 11 . 1 1 139 139 THR CA C 139 61.400 61.400 58.965 2.435 17577 9458 1 11 . 1 1 139 139 THR CB C 139 71.400 71.400 72.520 -1.120 17577 9459 1 11 . 1 1 139 139 THR H H 139 7.740 7.740 7.632 0.108 17577 9460 1 11 . 1 1 140 140 ASP N N 140 117.900 117.900 124.055 -6.155 17577 9461 1 11 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.058 0.202 17577 9462 1 11 . 1 1 140 140 ASP C C 140 178.400 178.400 177.739 0.661 17577 9463 1 11 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.163 1.837 17577 9464 1 11 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.786 2.014 17577 9465 1 11 . 1 1 140 140 ASP H H 140 8.630 8.630 8.701 -0.071 17577 9466 1 11 . 1 1 141 141 GLU N N 141 116.800 116.800 118.609 -1.809 17577 9467 1 11 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.051 0.219 17577 9468 1 11 . 1 1 141 141 GLU C C 141 176.200 176.200 177.615 -1.415 17577 9469 1 11 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.269 0.831 17577 9470 1 11 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.010 1.090 17577 9471 1 11 . 1 1 141 141 GLU H H 141 8.500 8.500 8.423 0.077 17577 9472 1 11 . 1 1 142 142 MET N N 142 117.400 117.400 116.936 0.464 17577 9473 1 11 . 1 1 142 142 MET HA H 142 4.490 4.490 4.377 0.113 17577 9474 1 11 . 1 1 142 142 MET C C 142 172.900 172.900 175.103 -2.203 17577 9475 1 11 . 1 1 142 142 MET CA C 142 57.100 57.100 57.111 -0.011 17577 9476 1 11 . 1 1 142 142 MET CB C 142 33.400 33.400 34.255 -0.855 17577 9477 1 11 . 1 1 142 142 MET H H 142 7.960 7.960 7.771 0.189 17577 9478 1 11 . 1 1 143 143 VAL N N 143 116.800 116.800 117.682 -0.882 17577 9479 1 11 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.962 -0.172 17577 9480 1 11 . 1 1 143 143 VAL C C 143 175.600 175.600 174.199 1.401 17577 9481 1 11 . 1 1 143 143 VAL CA C 143 62.200 62.200 60.331 1.869 17577 9482 1 11 . 1 1 143 143 VAL CB C 143 34.500 34.500 35.081 -0.581 17577 9483 1 11 . 1 1 143 143 VAL H H 143 7.120 7.120 7.421 -0.301 17577 9484 1 11 . 1 1 144 144 ALA N N 144 131.000 131.000 132.349 -1.349 17577 9485 1 11 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.919 -0.109 17577 9486 1 11 . 1 1 144 144 ALA C C 144 175.800 175.800 176.291 -0.491 17577 9487 1 11 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.685 0.815 17577 9488 1 11 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.715 0.885 17577 9489 1 11 . 1 1 144 144 ALA H H 144 9.600 9.600 9.179 0.421 17577 9490 1 11 . 1 1 145 145 MET N N 145 122.400 122.400 122.564 -0.164 17577 9491 1 11 . 1 1 145 145 MET HA H 145 4.890 4.890 4.586 0.304 17577 9492 1 11 . 1 1 145 145 MET C C 145 176.900 176.900 175.963 0.937 17577 9493 1 11 . 1 1 145 145 MET CA C 145 54.000 54.000 55.245 -1.245 17577 9494 1 11 . 1 1 145 145 MET CB C 145 30.100 30.100 33.161 -3.062 17577 9495 1 11 . 1 1 145 145 MET H H 145 8.630 8.630 8.606 0.024 17577 9496 1 11 . 1 1 146 146 LEU N N 146 125.400 125.400 122.565 2.835 17577 9497 1 11 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.837 -0.297 17577 9498 1 11 . 1 1 146 146 LEU C C 146 174.500 174.500 174.848 -0.348 17577 9499 1 11 . 1 1 146 146 LEU CA C 146 53.900 53.900 52.243 1.657 17577 9500 1 11 . 1 1 146 146 LEU CB C 146 42.800 42.800 42.435 0.364 17577 9501 1 11 . 1 1 146 146 LEU H H 146 7.880 7.880 8.171 -0.291 17577 9502 1 11 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.709 -0.129 17577 9503 1 11 . 1 1 147 147 PRO C C 147 176.200 176.200 176.891 -0.691 17577 9504 1 11 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.002 1.298 17577 9505 1 11 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.061 0.539 17577 9506 1 11 . 1 1 148 148 ARG N N 148 120.700 120.700 116.909 3.791 17577 9507 1 11 . 1 1 148 148 ARG HA H 148 4.270 4.270 3.943 0.327 17577 9508 1 11 . 1 1 148 148 ARG C C 148 175.500 175.500 175.676 -0.176 17577 9509 1 11 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.544 0.756 17577 9510 1 11 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.936 2.464 17577 9511 1 11 . 1 1 148 148 ARG H H 148 8.540 8.540 8.415 0.125 17577 9512 1 11 . 1 1 149 149 GLN N N 149 115.000 115.000 121.479 -6.479 17577 9513 1 11 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.141 0.579 17577 9514 1 11 . 1 1 149 149 GLN C C 149 174.300 174.300 174.792 -0.492 17577 9515 1 11 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.030 -1.130 17577 9516 1 11 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.514 1.186 17577 9517 1 11 . 1 1 149 149 GLN H H 149 7.770 7.770 8.348 -0.578 17577 9518 1 11 . 1 1 150 150 GLU N N 150 117.800 117.800 121.632 -3.832 17577 9519 1 11 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.659 -0.189 17577 9520 1 11 . 1 1 150 150 GLU C C 150 175.800 175.800 175.280 0.520 17577 9521 1 11 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.763 1.537 17577 9522 1 11 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.326 0.074 17577 9523 1 11 . 1 1 150 150 GLU H H 150 8.570 8.570 8.473 0.097 17577 9524 1 11 . 1 1 151 151 GLU N N 151 119.200 119.200 121.800 -2.600 17577 9525 1 11 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.382 -0.122 17577 9526 1 11 . 1 1 151 151 GLU C C 151 176.000 176.000 175.816 0.184 17577 9527 1 11 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.710 2.790 17577 9528 1 11 . 1 1 151 151 GLU CB C 151 32.200 32.200 29.575 2.626 17577 9529 1 11 . 1 1 151 151 GLU H H 151 8.000 8.000 8.696 -0.696 17577 9530 1 11 . 1 1 152 152 CYS N N 152 122.100 122.100 120.100 2.000 17577 9531 1 11 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.595 0.545 17577 9532 1 11 . 1 1 152 152 CYS C C 152 172.800 172.800 174.017 -1.217 17577 9533 1 11 . 1 1 152 152 CYS CA C 152 54.000 54.000 59.065 -5.065 17577 9534 1 11 . 1 1 152 152 CYS CB C 152 34.900 34.900 28.181 6.719 17577 9535 1 11 . 1 1 152 152 CYS H H 152 9.620 9.620 8.294 1.326 17577 9536 1 11 . 1 1 153 153 THR N N 153 118.000 118.000 113.022 4.978 17577 9537 1 11 . 1 1 153 153 THR HA H 153 4.860 4.860 4.551 0.309 17577 9538 1 11 . 1 1 153 153 THR C C 153 173.000 173.000 173.199 -0.199 17577 9539 1 11 . 1 1 153 153 THR CA C 153 59.800 59.800 60.346 -0.546 17577 9540 1 11 . 1 1 153 153 THR CB C 153 72.500 72.500 71.539 0.961 17577 9541 1 11 . 1 1 153 153 THR H H 153 8.490 8.490 8.100 0.390 17577 9542 1 11 . 1 1 154 154 VAL N N 154 114.900 114.900 118.862 -3.962 17577 9543 1 11 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.174 -0.054 17577 9544 1 11 . 1 1 154 154 VAL C C 154 175.500 175.500 175.306 0.194 17577 9545 1 11 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.118 -0.118 17577 9546 1 11 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.384 0.716 17577 9547 1 11 . 1 1 154 154 VAL H H 154 6.920 6.920 7.949 -1.029 17577 9548 1 11 . 1 1 155 155 ASP N N 155 124.100 124.100 125.331 -1.231 17577 9549 1 11 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.649 -0.159 17577 9550 1 11 . 1 1 155 155 ASP C C 155 175.800 175.800 177.102 -1.302 17577 9551 1 11 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.858 1.842 17577 9552 1 11 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.657 0.643 17577 9553 1 11 . 1 1 155 155 ASP H H 155 8.390 8.390 8.278 0.112 17577 9554 1 11 . 1 1 156 156 GLU N N 156 121.000 121.000 121.231 -0.231 17577 9555 1 11 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.155 0.015 17577 9556 1 11 . 1 1 156 156 GLU C C 156 175.400 175.400 177.203 -1.803 17577 9557 1 11 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.337 0.163 17577 9558 1 11 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.962 1.438 17577 9559 1 11 . 1 1 156 156 GLU H H 156 8.450 8.450 8.664 -0.214 17577 9560 1 12 . 1 1 4 4 PRO C C 4 175.800 175.800 175.291 0.509 17577 9561 1 12 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.000 0.300 17577 9562 1 12 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.913 1.087 17577 9563 1 12 . 1 1 5 5 ASP N N 5 119.400 119.400 119.284 0.116 17577 9564 1 12 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.638 -0.128 17577 9565 1 12 . 1 1 5 5 ASP C C 5 177.100 177.100 177.121 -0.021 17577 9566 1 12 . 1 1 5 5 ASP CA C 5 54.800 54.800 55.435 -0.635 17577 9567 1 12 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.221 1.179 17577 9568 1 12 . 1 1 5 5 ASP H H 5 8.090 8.090 8.441 -0.351 17577 9569 1 12 . 1 1 6 6 ARG N N 6 124.800 124.800 121.028 3.772 17577 9570 1 12 . 1 1 6 6 ARG C C 6 177.300 177.300 178.461 -1.161 17577 9571 1 12 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.700 -0.700 17577 9572 1 12 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.129 0.371 17577 9573 1 12 . 1 1 6 6 ARG H H 6 8.590 8.590 8.399 0.191 17577 9574 1 12 . 1 1 7 7 SER N N 7 113.800 113.800 112.751 1.049 17577 9575 1 12 . 1 1 7 7 SER CA C 7 62.400 62.400 60.703 1.697 17577 9576 1 12 . 1 1 7 7 SER CB C 7 63.800 63.800 63.027 0.773 17577 9577 1 12 . 1 1 7 7 SER H H 7 8.240 8.240 8.483 -0.243 17577 9578 1 12 . 1 1 8 8 GLU N N 8 120.200 120.200 120.631 -0.431 17577 9579 1 12 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.098 0.232 17577 9580 1 12 . 1 1 8 8 GLU C C 8 177.100 177.100 177.152 -0.052 17577 9581 1 12 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.409 0.291 17577 9582 1 12 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.661 1.239 17577 9583 1 12 . 1 1 8 8 GLU H H 8 8.030 8.030 7.787 0.243 17577 9584 1 12 . 1 1 9 9 ILE N N 9 112.800 112.800 118.892 -6.092 17577 9585 1 12 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.945 0.405 17577 9586 1 12 . 1 1 9 9 ILE C C 9 175.000 175.000 174.864 0.136 17577 9587 1 12 . 1 1 9 9 ILE CA C 9 63.400 63.400 62.188 1.212 17577 9588 1 12 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.863 1.137 17577 9589 1 12 . 1 1 9 9 ILE H H 9 7.530 7.530 7.443 0.087 17577 9590 1 12 . 1 1 10 10 ALA N N 10 120.400 120.400 121.535 -1.135 17577 9591 1 12 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.575 -0.505 17577 9592 1 12 . 1 1 10 10 ALA C C 10 177.500 177.500 177.500 0.000 17577 9593 1 12 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.273 -0.273 17577 9594 1 12 . 1 1 10 10 ALA CB C 10 20.400 20.400 18.835 1.565 17577 9595 1 12 . 1 1 10 10 ALA H H 10 7.410 7.410 8.265 -0.855 17577 9596 1 12 . 1 1 11 11 GLY N N 11 108.300 108.300 111.551 -3.251 17577 9597 1 12 . 1 1 11 11 GLY C C 11 173.700 173.700 173.791 -0.091 17577 9598 1 12 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.129 0.171 17577 9599 1 12 . 1 1 11 11 GLY H H 11 8.780 8.780 8.744 0.036 17577 9600 1 12 . 1 1 12 12 LYS N N 12 122.300 122.300 120.940 1.360 17577 9601 1 12 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.846 -0.016 17577 9602 1 12 . 1 1 12 12 LYS C C 12 175.900 175.900 174.991 0.909 17577 9603 1 12 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.185 2.115 17577 9604 1 12 . 1 1 12 12 LYS CB C 12 35.000 35.000 35.030 -0.030 17577 9605 1 12 . 1 1 12 12 LYS H H 12 8.740 8.740 8.095 0.645 17577 9606 1 12 . 1 1 13 13 TRP N N 13 126.000 126.000 125.213 0.787 17577 9607 1 12 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.896 -0.266 17577 9608 1 12 . 1 1 13 13 TRP C C 13 173.300 173.300 174.642 -1.342 17577 9609 1 12 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.112 1.587 17577 9610 1 12 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.125 4.275 17577 9611 1 12 . 1 1 13 13 TRP H H 13 9.440 9.440 9.626 -0.186 17577 9612 1 12 . 1 1 14 14 TYR N N 14 118.300 118.300 123.133 -4.833 17577 9613 1 12 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.777 0.273 17577 9614 1 12 . 1 1 14 14 TYR C C 14 175.400 175.400 174.721 0.679 17577 9615 1 12 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.685 1.115 17577 9616 1 12 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.439 1.061 17577 9617 1 12 . 1 1 14 14 TYR H H 14 9.370 9.370 8.620 0.750 17577 9618 1 12 . 1 1 15 15 VAL N N 15 124.200 124.200 125.257 -1.057 17577 9619 1 12 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.816 0.224 17577 9620 1 12 . 1 1 15 15 VAL C C 15 175.500 175.500 175.158 0.342 17577 9621 1 12 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.885 0.816 17577 9622 1 12 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.566 -0.165 17577 9623 1 12 . 1 1 15 15 VAL H H 15 9.000 9.000 9.112 -0.112 17577 9624 1 12 . 1 1 16 16 VAL N N 16 114.600 114.600 123.459 -8.859 17577 9625 1 12 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.459 0.191 17577 9626 1 12 . 1 1 16 16 VAL C C 16 175.900 175.900 174.223 1.677 17577 9627 1 12 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.391 0.809 17577 9628 1 12 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.932 -0.333 17577 9629 1 12 . 1 1 16 16 VAL H H 16 8.420 8.420 8.451 -0.031 17577 9630 1 12 . 1 1 17 17 ALA N N 17 122.900 122.900 121.070 1.830 17577 9631 1 12 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.245 0.025 17577 9632 1 12 . 1 1 17 17 ALA C C 17 174.200 174.200 175.574 -1.374 17577 9633 1 12 . 1 1 17 17 ALA CA C 17 53.100 53.100 49.578 3.522 17577 9634 1 12 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.940 2.160 17577 9635 1 12 . 1 1 17 17 ALA H H 17 7.590 7.590 7.166 0.424 17577 9636 1 12 . 1 1 18 18 LEU N N 18 118.000 118.000 119.755 -1.755 17577 9637 1 12 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.270 0.170 17577 9638 1 12 . 1 1 18 18 LEU C C 18 176.100 176.100 174.212 1.888 17577 9639 1 12 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.783 -0.783 17577 9640 1 12 . 1 1 18 18 LEU CB C 18 49.800 49.800 47.102 2.698 17577 9641 1 12 . 1 1 18 18 LEU H H 18 8.570 8.570 8.073 0.497 17577 9642 1 12 . 1 1 19 19 ALA N N 19 120.300 120.300 123.196 -2.896 17577 9643 1 12 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.652 -0.222 17577 9644 1 12 . 1 1 19 19 ALA C C 19 174.400 174.400 175.626 -1.226 17577 9645 1 12 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.055 1.645 17577 9646 1 12 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.557 0.543 17577 9647 1 12 . 1 1 19 19 ALA H H 19 8.360 8.360 8.569 -0.209 17577 9648 1 12 . 1 1 20 20 SER N N 20 114.200 114.200 115.113 -0.913 17577 9649 1 12 . 1 1 20 20 SER HA H 20 3.890 3.890 4.930 -1.040 17577 9650 1 12 . 1 1 20 20 SER C C 20 170.700 170.700 173.007 -2.307 17577 9651 1 12 . 1 1 20 20 SER CA C 20 57.200 57.200 57.221 -0.021 17577 9652 1 12 . 1 1 20 20 SER CB C 20 64.200 64.200 65.045 -0.845 17577 9653 1 12 . 1 1 20 20 SER H H 20 7.450 7.450 8.316 -0.866 17577 9654 1 12 . 1 1 21 21 ASN N N 21 117.500 117.500 117.808 -0.308 17577 9655 1 12 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.984 0.236 17577 9656 1 12 . 1 1 21 21 ASN C C 21 176.500 176.500 175.063 1.437 17577 9657 1 12 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.587 -1.087 17577 9658 1 12 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.456 -0.156 17577 9659 1 12 . 1 1 21 21 ASN H H 21 7.980 7.980 8.546 -0.566 17577 9660 1 12 . 1 1 22 22 THR N N 22 112.100 112.100 118.780 -6.680 17577 9661 1 12 . 1 1 22 22 THR HA H 22 4.420 4.420 4.452 -0.032 17577 9662 1 12 . 1 1 22 22 THR C C 22 174.800 174.800 174.998 -0.198 17577 9663 1 12 . 1 1 22 22 THR CA C 22 63.200 63.200 62.974 0.226 17577 9664 1 12 . 1 1 22 22 THR CB C 22 71.800 71.800 68.824 2.976 17577 9665 1 12 . 1 1 22 22 THR H H 22 8.140 8.140 7.683 0.457 17577 9666 1 12 . 1 1 23 23 GLU N N 23 122.700 122.700 126.761 -4.061 17577 9667 1 12 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.864 0.886 17577 9668 1 12 . 1 1 23 23 GLU C C 23 178.800 178.800 177.560 1.240 17577 9669 1 12 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.730 1.570 17577 9670 1 12 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.375 0.925 17577 9671 1 12 . 1 1 23 23 GLU H H 23 8.980 8.980 8.376 0.604 17577 9672 1 12 . 1 1 24 24 PHE N N 24 118.200 118.200 119.516 -1.316 17577 9673 1 12 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.245 -0.265 17577 9674 1 12 . 1 1 24 24 PHE C C 24 175.900 175.900 176.806 -0.906 17577 9675 1 12 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.455 2.445 17577 9676 1 12 . 1 1 24 24 PHE CB C 24 40.700 40.700 38.873 1.827 17577 9677 1 12 . 1 1 24 24 PHE H H 24 8.610 8.610 7.834 0.776 17577 9678 1 12 . 1 1 25 25 PHE N N 25 119.000 119.000 119.543 -0.543 17577 9679 1 12 . 1 1 25 25 PHE HA H 25 3.840 3.840 3.816 0.024 17577 9680 1 12 . 1 1 25 25 PHE C C 25 176.500 176.500 177.354 -0.854 17577 9681 1 12 . 1 1 25 25 PHE CA C 25 62.800 62.800 60.722 2.078 17577 9682 1 12 . 1 1 25 25 PHE CB C 25 40.400 40.400 39.063 1.337 17577 9683 1 12 . 1 1 25 25 PHE H H 25 7.730 7.730 8.398 -0.668 17577 9684 1 12 . 1 1 26 26 LEU N N 26 115.900 115.900 116.985 -1.085 17577 9685 1 12 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.000 -0.270 17577 9686 1 12 . 1 1 26 26 LEU C C 26 179.200 179.200 178.975 0.225 17577 9687 1 12 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.068 0.632 17577 9688 1 12 . 1 1 26 26 LEU CB C 26 42.000 42.000 40.986 1.014 17577 9689 1 12 . 1 1 26 26 LEU H H 26 8.380 8.380 7.745 0.635 17577 9690 1 12 . 1 1 27 27 ARG N N 27 116.900 116.900 119.926 -3.026 17577 9691 1 12 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.037 0.073 17577 9692 1 12 . 1 1 27 27 ARG C C 27 178.400 178.400 177.956 0.444 17577 9693 1 12 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.791 0.409 17577 9694 1 12 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.336 1.764 17577 9695 1 12 . 1 1 27 27 ARG H H 27 7.720 7.720 7.910 -0.191 17577 9696 1 12 . 1 1 28 28 GLU N N 28 116.000 116.000 117.943 -1.943 17577 9697 1 12 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.123 0.237 17577 9698 1 12 . 1 1 28 28 GLU C C 28 178.200 178.200 178.994 -0.794 17577 9699 1 12 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.602 -1.901 17577 9700 1 12 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.887 1.013 17577 9701 1 12 . 1 1 28 28 GLU H H 28 7.660 7.660 7.925 -0.265 17577 9702 1 12 . 1 1 29 29 LYS N N 29 120.700 120.700 119.184 1.516 17577 9703 1 12 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.203 -0.063 17577 9704 1 12 . 1 1 29 29 LYS C C 29 177.900 177.900 178.876 -0.976 17577 9705 1 12 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.653 1.247 17577 9706 1 12 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.153 -0.753 17577 9707 1 12 . 1 1 29 29 LYS H H 29 7.910 7.910 8.632 -0.722 17577 9708 1 12 . 1 1 30 30 ASP N N 30 118.800 118.800 117.965 0.835 17577 9709 1 12 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.417 -0.027 17577 9710 1 12 . 1 1 30 30 ASP C C 30 177.000 177.000 176.805 0.195 17577 9711 1 12 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.378 0.822 17577 9712 1 12 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.523 0.077 17577 9713 1 12 . 1 1 30 30 ASP H H 30 8.390 8.390 7.878 0.512 17577 9714 1 12 . 1 1 31 31 LYS N N 31 118.000 118.000 117.219 0.781 17577 9715 1 12 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.270 0.120 17577 9716 1 12 . 1 1 31 31 LYS C C 31 177.200 177.200 176.342 0.858 17577 9717 1 12 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.418 0.582 17577 9718 1 12 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.327 0.873 17577 9719 1 12 . 1 1 31 31 LYS H H 31 8.110 8.110 7.690 0.420 17577 9720 1 12 . 1 1 32 32 MET N N 32 120.300 120.300 118.257 2.043 17577 9721 1 12 . 1 1 32 32 MET HA H 32 4.520 4.520 4.372 0.148 17577 9722 1 12 . 1 1 32 32 MET C C 32 176.200 176.200 174.944 1.256 17577 9723 1 12 . 1 1 32 32 MET CA C 32 58.000 58.000 56.167 1.833 17577 9724 1 12 . 1 1 32 32 MET CB C 32 33.500 33.500 34.020 -0.520 17577 9725 1 12 . 1 1 32 32 MET H H 32 7.240 7.240 7.495 -0.255 17577 9726 1 12 . 1 1 33 33 LYS N N 33 120.200 120.200 116.652 3.548 17577 9727 1 12 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.542 0.158 17577 9728 1 12 . 1 1 33 33 LYS C C 33 173.000 173.000 175.644 -2.644 17577 9729 1 12 . 1 1 33 33 LYS CA C 33 56.100 56.100 55.070 1.030 17577 9730 1 12 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.828 4.271 17577 9731 1 12 . 1 1 33 33 LYS H H 33 8.560 8.560 8.225 0.335 17577 9732 1 12 . 1 1 34 34 MET N N 34 118.300 118.300 121.164 -2.864 17577 9733 1 12 . 1 1 34 34 MET HA H 34 4.080 4.080 4.367 -0.287 17577 9734 1 12 . 1 1 34 34 MET C C 34 173.800 173.800 175.509 -1.709 17577 9735 1 12 . 1 1 34 34 MET CA C 34 59.500 59.500 56.392 3.108 17577 9736 1 12 . 1 1 34 34 MET CB C 34 35.700 35.700 33.460 2.240 17577 9737 1 12 . 1 1 34 34 MET H H 34 8.370 8.370 8.031 0.339 17577 9738 1 12 . 1 1 35 35 ALA N N 35 126.000 126.000 127.971 -1.971 17577 9739 1 12 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.220 0.040 17577 9740 1 12 . 1 1 35 35 ALA C C 35 176.100 176.100 176.018 0.082 17577 9741 1 12 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.232 0.368 17577 9742 1 12 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.462 1.337 17577 9743 1 12 . 1 1 35 35 ALA H H 35 7.360 7.360 9.019 -1.659 17577 9744 1 12 . 1 1 36 36 MET N N 36 117.100 117.100 114.858 2.242 17577 9745 1 12 . 1 1 36 36 MET HA H 36 5.280 5.280 5.450 -0.170 17577 9746 1 12 . 1 1 36 36 MET C C 36 172.600 172.600 174.491 -1.891 17577 9747 1 12 . 1 1 36 36 MET CA C 36 56.100 56.100 52.481 3.619 17577 9748 1 12 . 1 1 36 36 MET CB C 36 39.600 39.600 36.215 3.385 17577 9749 1 12 . 1 1 36 36 MET H H 36 8.920 8.920 9.081 -0.161 17577 9750 1 12 . 1 1 37 37 ALA N N 37 121.700 121.700 120.538 1.162 17577 9751 1 12 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.833 0.597 17577 9752 1 12 . 1 1 37 37 ALA C C 37 175.400 175.400 175.081 0.319 17577 9753 1 12 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.599 -0.399 17577 9754 1 12 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.677 1.723 17577 9755 1 12 . 1 1 37 37 ALA H H 37 8.980 8.980 9.087 -0.107 17577 9756 1 12 . 1 1 38 38 ARG N N 38 120.400 120.400 119.484 0.916 17577 9757 1 12 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.817 0.333 17577 9758 1 12 . 1 1 38 38 ARG C C 38 174.900 174.900 173.840 1.060 17577 9759 1 12 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.038 0.161 17577 9760 1 12 . 1 1 38 38 ARG CB C 38 34.600 34.600 34.132 0.468 17577 9761 1 12 . 1 1 38 38 ARG H H 38 9.180 9.180 7.895 1.285 17577 9762 1 12 . 1 1 39 39 ILE N N 39 126.000 126.000 124.464 1.536 17577 9763 1 12 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.897 0.023 17577 9764 1 12 . 1 1 39 39 ILE C C 39 175.100 175.100 174.290 0.810 17577 9765 1 12 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.659 1.541 17577 9766 1 12 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.836 0.564 17577 9767 1 12 . 1 1 39 39 ILE H H 39 8.930 8.930 8.467 0.463 17577 9768 1 12 . 1 1 40 40 SER N N 40 121.700 121.700 122.148 -0.448 17577 9769 1 12 . 1 1 40 40 SER HA H 40 4.630 4.630 4.718 -0.088 17577 9770 1 12 . 1 1 40 40 SER CA C 40 57.900 57.900 57.162 0.738 17577 9771 1 12 . 1 1 40 40 SER CB C 40 66.300 66.300 66.112 0.188 17577 9772 1 12 . 1 1 40 40 SER H H 40 8.780 8.780 8.569 0.211 17577 9773 1 12 . 1 1 41 41 PHE N N 41 122.300 122.300 123.490 -1.190 17577 9774 1 12 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.632 0.018 17577 9775 1 12 . 1 1 41 41 PHE C C 41 175.900 175.900 176.443 -0.543 17577 9776 1 12 . 1 1 41 41 PHE CA C 41 60.100 60.100 58.072 2.027 17577 9777 1 12 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.729 2.971 17577 9778 1 12 . 1 1 41 41 PHE H H 41 9.080 9.080 8.894 0.186 17577 9779 1 12 . 1 1 42 42 LEU N N 42 125.100 125.100 124.501 0.599 17577 9780 1 12 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.131 0.499 17577 9781 1 12 . 1 1 42 42 LEU C C 42 176.400 176.400 177.754 -1.354 17577 9782 1 12 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.283 -0.783 17577 9783 1 12 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.339 1.461 17577 9784 1 12 . 1 1 42 42 LEU H H 42 8.540 8.540 7.901 0.639 17577 9785 1 12 . 1 1 43 43 GLY N N 43 108.700 108.700 103.110 5.590 17577 9786 1 12 . 1 1 43 43 GLY C C 43 173.700 173.700 173.965 -0.265 17577 9787 1 12 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.906 0.994 17577 9788 1 12 . 1 1 43 43 GLY H H 43 8.310 8.310 7.859 0.451 17577 9789 1 12 . 1 1 44 44 GLU N N 44 120.300 120.300 120.741 -0.441 17577 9790 1 12 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.218 -0.108 17577 9791 1 12 . 1 1 44 44 GLU C C 44 177.200 177.200 176.434 0.766 17577 9792 1 12 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.960 0.640 17577 9793 1 12 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.782 1.018 17577 9794 1 12 . 1 1 44 44 GLU H H 44 8.900 8.900 8.705 0.195 17577 9795 1 12 . 1 1 45 45 ASP N N 45 115.200 115.200 116.048 -0.848 17577 9796 1 12 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.854 0.016 17577 9797 1 12 . 1 1 45 45 ASP C C 45 174.500 174.500 174.691 -0.191 17577 9798 1 12 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.830 0.970 17577 9799 1 12 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.670 2.030 17577 9800 1 12 . 1 1 45 45 ASP H H 45 8.500 8.500 8.217 0.283 17577 9801 1 12 . 1 1 46 46 GLU N N 46 117.800 117.800 118.763 -0.963 17577 9802 1 12 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.956 0.614 17577 9803 1 12 . 1 1 46 46 GLU C C 46 174.800 174.800 174.364 0.436 17577 9804 1 12 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.516 0.784 17577 9805 1 12 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.920 1.080 17577 9806 1 12 . 1 1 46 46 GLU H H 46 7.450 7.450 8.197 -0.747 17577 9807 1 12 . 1 1 47 47 LEU N N 47 124.200 124.200 122.107 2.093 17577 9808 1 12 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.204 -0.324 17577 9809 1 12 . 1 1 47 47 LEU C C 47 173.900 173.900 174.781 -0.881 17577 9810 1 12 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.981 2.319 17577 9811 1 12 . 1 1 47 47 LEU CB C 47 46.100 46.100 46.118 -0.018 17577 9812 1 12 . 1 1 47 47 LEU H H 47 9.160 9.160 8.864 0.296 17577 9813 1 12 . 1 1 48 48 LYS N N 48 123.800 123.800 122.495 1.305 17577 9814 1 12 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.755 0.195 17577 9815 1 12 . 1 1 48 48 LYS C C 48 174.300 174.300 174.597 -0.297 17577 9816 1 12 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.368 0.632 17577 9817 1 12 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.821 0.980 17577 9818 1 12 . 1 1 48 48 LYS H H 48 9.020 9.020 8.679 0.341 17577 9819 1 12 . 1 1 49 49 VAL N N 49 126.600 126.600 126.643 -0.043 17577 9820 1 12 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.862 -0.252 17577 9821 1 12 . 1 1 49 49 VAL C C 49 173.800 173.800 174.110 -0.310 17577 9822 1 12 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.990 1.310 17577 9823 1 12 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.586 -0.286 17577 9824 1 12 . 1 1 49 49 VAL H H 49 8.920 8.920 9.125 -0.205 17577 9825 1 12 . 1 1 50 50 SER N N 50 120.900 120.900 119.477 1.423 17577 9826 1 12 . 1 1 50 50 SER HA H 50 4.860 4.860 4.859 0.001 17577 9827 1 12 . 1 1 50 50 SER CA C 50 57.300 57.300 55.956 1.344 17577 9828 1 12 . 1 1 50 50 SER CB C 50 65.100 65.100 64.885 0.215 17577 9829 1 12 . 1 1 50 50 SER H H 50 8.360 8.360 8.480 -0.120 17577 9830 1 12 . 1 1 51 51 TYR N N 51 122.000 122.000 123.517 -1.517 17577 9831 1 12 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.794 0.056 17577 9832 1 12 . 1 1 51 51 TYR C C 51 176.800 176.800 173.438 3.362 17577 9833 1 12 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.993 2.207 17577 9834 1 12 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.553 2.047 17577 9835 1 12 . 1 1 51 51 TYR H H 51 8.990 8.990 8.460 0.530 17577 9836 1 12 . 1 1 52 52 ALA N N 52 124.000 124.000 125.275 -1.275 17577 9837 1 12 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.622 0.248 17577 9838 1 12 . 1 1 52 52 ALA C C 52 174.800 174.800 174.963 -0.163 17577 9839 1 12 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.750 2.250 17577 9840 1 12 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.434 0.366 17577 9841 1 12 . 1 1 52 52 ALA H H 52 8.640 8.640 9.255 -0.615 17577 9842 1 12 . 1 1 53 53 VAL N N 53 124.300 124.300 124.138 0.162 17577 9843 1 12 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.564 0.206 17577 9844 1 12 . 1 1 53 53 VAL C C 53 174.200 174.200 173.768 0.432 17577 9845 1 12 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.377 0.923 17577 9846 1 12 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.752 1.748 17577 9847 1 12 . 1 1 53 53 VAL H H 53 9.120 9.120 7.879 1.241 17577 9848 1 12 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.595 0.105 17577 9849 1 12 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.959 2.741 17577 9850 1 12 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.180 0.720 17577 9851 1 12 . 1 1 55 55 LYS N N 55 121.100 121.100 122.948 -1.848 17577 9852 1 12 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.696 0.234 17577 9853 1 12 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.468 0.132 17577 9854 1 12 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.610 -0.210 17577 9855 1 12 . 1 1 55 55 LYS H H 55 8.040 8.040 8.293 -0.253 17577 9856 1 12 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.253 0.027 17577 9857 1 12 . 1 1 56 56 PRO C C 56 177.200 177.200 176.517 0.683 17577 9858 1 12 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.667 1.733 17577 9859 1 12 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.686 0.614 17577 9860 1 12 . 1 1 57 57 ASN N N 57 114.200 114.200 114.390 -0.190 17577 9861 1 12 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.778 -0.058 17577 9862 1 12 . 1 1 57 57 ASN C C 57 174.900 174.900 174.437 0.463 17577 9863 1 12 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.776 1.224 17577 9864 1 12 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.867 0.433 17577 9865 1 12 . 1 1 57 57 ASN H H 57 8.370 8.370 8.082 0.288 17577 9866 1 12 . 1 1 58 58 GLY N N 58 106.500 106.500 108.056 -1.556 17577 9867 1 12 . 1 1 58 58 GLY C C 58 172.000 172.000 173.740 -1.740 17577 9868 1 12 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.379 2.621 17577 9869 1 12 . 1 1 58 58 GLY H H 58 7.810 7.810 8.188 -0.378 17577 9870 1 12 . 1 1 60 60 ARG N N 60 132.300 132.300 124.292 8.008 17577 9871 1 12 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.694 -0.114 17577 9872 1 12 . 1 1 60 60 ARG C C 60 174.000 174.000 173.962 0.038 17577 9873 1 12 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.786 0.714 17577 9874 1 12 . 1 1 60 60 ARG CB C 60 32.400 32.400 33.159 -0.759 17577 9875 1 12 . 1 1 60 60 ARG H H 60 9.120 9.120 8.336 0.784 17577 9876 1 12 . 1 1 61 61 LYS N N 61 126.200 126.200 127.749 -1.549 17577 9877 1 12 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.815 0.705 17577 9878 1 12 . 1 1 61 61 LYS C C 61 175.900 175.900 174.978 0.922 17577 9879 1 12 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.146 0.954 17577 9880 1 12 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.007 1.093 17577 9881 1 12 . 1 1 61 61 LYS H H 61 8.500 8.500 8.492 0.008 17577 9882 1 12 . 1 1 62 62 TRP N N 62 121.900 121.900 125.368 -3.468 17577 9883 1 12 . 1 1 62 62 TRP HA H 62 4.860 4.860 5.008 -0.148 17577 9884 1 12 . 1 1 62 62 TRP C C 62 171.900 171.900 173.990 -2.090 17577 9885 1 12 . 1 1 62 62 TRP CA C 62 57.700 57.700 55.962 1.738 17577 9886 1 12 . 1 1 62 62 TRP CB C 62 31.300 31.300 31.056 0.244 17577 9887 1 12 . 1 1 62 62 TRP H H 62 8.070 8.070 7.996 0.074 17577 9888 1 12 . 1 1 63 63 GLU N N 63 117.100 117.100 121.269 -4.169 17577 9889 1 12 . 1 1 63 63 GLU HA H 63 5.610 5.610 5.043 0.567 17577 9890 1 12 . 1 1 63 63 GLU C C 63 175.500 175.500 175.584 -0.084 17577 9891 1 12 . 1 1 63 63 GLU CA C 63 55.200 55.200 55.236 -0.036 17577 9892 1 12 . 1 1 63 63 GLU CB C 63 35.100 35.100 33.595 1.505 17577 9893 1 12 . 1 1 63 63 GLU H H 63 8.450 8.450 8.526 -0.076 17577 9894 1 12 . 1 1 64 64 THR N N 64 117.400 117.400 121.728 -4.328 17577 9895 1 12 . 1 1 64 64 THR HA H 64 4.600 4.600 4.751 -0.151 17577 9896 1 12 . 1 1 64 64 THR C C 64 171.800 171.800 173.336 -1.536 17577 9897 1 12 . 1 1 64 64 THR CA C 64 63.000 63.000 61.630 1.370 17577 9898 1 12 . 1 1 64 64 THR CB C 64 72.700 72.700 72.052 0.648 17577 9899 1 12 . 1 1 64 64 THR H H 64 8.980 8.980 9.425 -0.445 17577 9900 1 12 . 1 1 65 65 THR N N 65 119.100 119.100 120.333 -1.233 17577 9901 1 12 . 1 1 65 65 THR HA H 65 5.260 5.260 5.105 0.155 17577 9902 1 12 . 1 1 65 65 THR C C 65 173.700 173.700 172.818 0.882 17577 9903 1 12 . 1 1 65 65 THR CA C 65 62.300 62.300 62.386 -0.086 17577 9904 1 12 . 1 1 65 65 THR CB C 65 71.100 71.100 70.440 0.660 17577 9905 1 12 . 1 1 65 65 THR H H 65 8.380 8.380 9.010 -0.630 17577 9906 1 12 . 1 1 66 66 PHE N N 66 123.400 123.400 126.018 -2.618 17577 9907 1 12 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.889 -0.059 17577 9908 1 12 . 1 1 66 66 PHE C C 66 174.200 174.200 172.632 1.568 17577 9909 1 12 . 1 1 66 66 PHE CA C 66 58.100 58.100 55.820 2.280 17577 9910 1 12 . 1 1 66 66 PHE CB C 66 45.600 45.600 41.423 4.177 17577 9911 1 12 . 1 1 66 66 PHE H H 66 9.590 9.590 9.437 0.153 17577 9912 1 12 . 1 1 67 67 LYS N N 67 119.700 119.700 126.102 -6.402 17577 9913 1 12 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.588 0.932 17577 9914 1 12 . 1 1 67 67 LYS C C 67 176.500 176.500 175.656 0.844 17577 9915 1 12 . 1 1 67 67 LYS CA C 67 55.500 55.500 53.766 1.734 17577 9916 1 12 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.550 0.750 17577 9917 1 12 . 1 1 67 67 LYS H H 67 8.880 8.880 8.874 0.006 17577 9918 1 12 . 1 1 68 68 LYS N N 68 129.100 129.100 124.937 4.163 17577 9919 1 12 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.625 0.255 17577 9920 1 12 . 1 1 68 68 LYS C C 68 177.400 177.400 176.416 0.984 17577 9921 1 12 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.477 1.223 17577 9922 1 12 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.722 2.578 17577 9923 1 12 . 1 1 68 68 LYS H H 68 8.850 8.850 8.099 0.751 17577 9924 1 12 . 1 1 69 69 THR N N 69 118.500 118.500 120.332 -1.832 17577 9925 1 12 . 1 1 69 69 THR HA H 69 4.710 4.710 4.660 0.050 17577 9926 1 12 . 1 1 69 69 THR C C 69 174.600 174.600 175.382 -0.782 17577 9927 1 12 . 1 1 69 69 THR CA C 69 61.900 61.900 60.106 1.794 17577 9928 1 12 . 1 1 69 69 THR CB C 69 70.800 70.800 69.682 1.118 17577 9929 1 12 . 1 1 69 69 THR H H 69 8.720 8.720 8.763 -0.043 17577 9930 1 12 . 1 1 70 70 SER N N 70 111.800 111.800 118.887 -7.087 17577 9931 1 12 . 1 1 70 70 SER HA H 70 4.420 4.420 4.575 -0.155 17577 9932 1 12 . 1 1 70 70 SER C C 70 174.500 174.500 174.341 0.159 17577 9933 1 12 . 1 1 70 70 SER CA C 70 59.300 59.300 58.521 0.779 17577 9934 1 12 . 1 1 70 70 SER CB C 70 64.400 64.400 62.319 2.080 17577 9935 1 12 . 1 1 70 70 SER H H 70 8.350 8.350 8.719 -0.369 17577 9936 1 12 . 1 1 71 71 ASP N N 71 121.100 121.100 123.541 -2.441 17577 9937 1 12 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.615 -0.235 17577 9938 1 12 . 1 1 71 71 ASP C C 71 175.600 175.600 176.069 -0.469 17577 9939 1 12 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.631 -0.531 17577 9940 1 12 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.956 1.044 17577 9941 1 12 . 1 1 71 71 ASP H H 71 7.960 7.960 8.430 -0.470 17577 9942 1 12 . 1 1 72 72 ASP N N 72 121.000 121.000 117.560 3.440 17577 9943 1 12 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.669 -0.219 17577 9944 1 12 . 1 1 72 72 ASP C C 72 175.900 175.900 176.002 -0.102 17577 9945 1 12 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.143 1.957 17577 9946 1 12 . 1 1 72 72 ASP CB C 72 42.100 42.100 41.462 0.638 17577 9947 1 12 . 1 1 72 72 ASP H H 72 8.500 8.500 8.119 0.381 17577 9948 1 12 . 1 1 73 73 GLY N N 73 109.100 109.100 114.700 -5.600 17577 9949 1 12 . 1 1 73 73 GLY C C 73 172.800 172.800 174.582 -1.782 17577 9950 1 12 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.538 -0.038 17577 9951 1 12 . 1 1 73 73 GLY H H 73 8.200 8.200 8.270 -0.070 17577 9952 1 12 . 1 1 74 74 GLU N N 74 123.300 123.300 126.167 -2.867 17577 9953 1 12 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.671 0.099 17577 9954 1 12 . 1 1 74 74 GLU C C 74 173.600 173.600 174.542 -0.942 17577 9955 1 12 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.456 -0.056 17577 9956 1 12 . 1 1 74 74 GLU CB C 74 30.600 30.600 29.870 0.730 17577 9957 1 12 . 1 1 74 74 GLU H H 74 8.780 8.780 8.371 0.409 17577 9958 1 12 . 1 1 75 75 VAL N N 75 123.500 123.500 119.958 3.542 17577 9959 1 12 . 1 1 75 75 VAL HA H 75 5.040 5.040 3.690 1.350 17577 9960 1 12 . 1 1 75 75 VAL C C 75 174.100 174.100 174.157 -0.057 17577 9961 1 12 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.557 1.943 17577 9962 1 12 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.592 -1.592 17577 9963 1 12 . 1 1 75 75 VAL H H 75 7.870 7.870 8.045 -0.175 17577 9964 1 12 . 1 1 76 76 TYR N N 76 125.000 125.000 120.754 4.246 17577 9965 1 12 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.397 0.843 17577 9966 1 12 . 1 1 76 76 TYR C C 76 174.300 174.300 174.218 0.082 17577 9967 1 12 . 1 1 76 76 TYR CA C 76 57.800 57.800 54.925 2.875 17577 9968 1 12 . 1 1 76 76 TYR CB C 76 43.700 43.700 38.948 4.752 17577 9969 1 12 . 1 1 76 76 TYR H H 76 9.360 9.360 7.413 1.947 17577 9970 1 12 . 1 1 77 77 TYR N N 77 120.500 120.500 122.445 -1.945 17577 9971 1 12 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.950 0.930 17577 9972 1 12 . 1 1 77 77 TYR C C 77 174.600 174.600 174.407 0.193 17577 9973 1 12 . 1 1 77 77 TYR CA C 77 58.000 58.000 57.242 0.758 17577 9974 1 12 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.870 1.730 17577 9975 1 12 . 1 1 77 77 TYR H H 77 9.480 9.480 8.843 0.637 17577 9976 1 12 . 1 1 78 78 SER N N 78 125.100 125.100 121.325 3.775 17577 9977 1 12 . 1 1 78 78 SER HA H 78 4.830 4.830 5.150 -0.320 17577 9978 1 12 . 1 1 78 78 SER C C 78 174.300 174.300 175.348 -1.048 17577 9979 1 12 . 1 1 78 78 SER CA C 78 55.600 55.600 56.107 -0.507 17577 9980 1 12 . 1 1 78 78 SER CB C 78 64.400 64.400 63.880 0.520 17577 9981 1 12 . 1 1 78 78 SER H H 78 8.570 8.570 9.084 -0.514 17577 9982 1 12 . 1 1 79 79 GLU N N 79 130.000 130.000 129.211 0.789 17577 9983 1 12 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.949 0.031 17577 9984 1 12 . 1 1 79 79 GLU C C 79 178.600 178.600 178.355 0.245 17577 9985 1 12 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.724 0.376 17577 9986 1 12 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.581 0.919 17577 9987 1 12 . 1 1 79 79 GLU H H 79 8.670 8.670 9.147 -0.477 17577 9988 1 12 . 1 1 80 80 GLU N N 80 118.900 118.900 118.516 0.384 17577 9989 1 12 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.202 -0.202 17577 9990 1 12 . 1 1 80 80 GLU C C 80 177.700 177.700 177.315 0.385 17577 9991 1 12 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.233 1.767 17577 9992 1 12 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.716 0.784 17577 9993 1 12 . 1 1 80 80 GLU H H 80 8.560 8.560 8.627 -0.067 17577 9994 1 12 . 1 1 81 81 ALA N N 81 117.600 117.600 119.099 -1.499 17577 9995 1 12 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.550 -0.160 17577 9996 1 12 . 1 1 81 81 ALA C C 81 176.000 176.000 176.510 -0.510 17577 9997 1 12 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.010 1.390 17577 9998 1 12 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.733 0.867 17577 9999 1 12 . 1 1 81 81 ALA H H 81 7.410 7.410 7.581 -0.171 17577 10000 1 12 . 1 1 82 82 LYS N N 82 118.300 118.300 117.235 1.065 17577 10001 1 12 . 1 1 82 82 LYS HA H 82 3.870 3.870 4.012 -0.142 17577 10002 1 12 . 1 1 82 82 LYS C C 82 175.100 175.100 174.584 0.516 17577 10003 1 12 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.397 -0.197 17577 10004 1 12 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.715 0.585 17577 10005 1 12 . 1 1 82 82 LYS H H 82 7.830 7.830 7.938 -0.108 17577 10006 1 12 . 1 1 83 83 LYS N N 83 118.400 118.400 119.528 -1.128 17577 10007 1 12 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.986 0.454 17577 10008 1 12 . 1 1 83 83 LYS C C 83 172.400 172.400 174.331 -1.931 17577 10009 1 12 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.307 0.193 17577 10010 1 12 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.058 3.042 17577 10011 1 12 . 1 1 83 83 LYS H H 83 7.150 7.150 7.685 -0.535 17577 10012 1 12 . 1 1 84 84 LYS N N 84 130.000 130.000 125.540 4.460 17577 10013 1 12 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.859 0.821 17577 10014 1 12 . 1 1 84 84 LYS C C 84 174.900 174.900 174.187 0.713 17577 10015 1 12 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.229 1.471 17577 10016 1 12 . 1 1 84 84 LYS CB C 84 38.000 38.000 35.697 2.303 17577 10017 1 12 . 1 1 84 84 LYS H H 84 9.540 9.540 8.886 0.654 17577 10018 1 12 . 1 1 85 85 VAL N N 85 121.100 121.100 118.454 2.646 17577 10019 1 12 . 1 1 85 85 VAL HA H 85 4.980 4.980 4.953 0.027 17577 10020 1 12 . 1 1 85 85 VAL C C 85 173.000 173.000 174.242 -1.242 17577 10021 1 12 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.569 1.831 17577 10022 1 12 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.718 1.982 17577 10023 1 12 . 1 1 85 85 VAL H H 85 9.510 9.510 8.069 1.441 17577 10024 1 12 . 1 1 86 86 GLU N N 86 123.700 123.700 126.858 -3.158 17577 10025 1 12 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.359 0.961 17577 10026 1 12 . 1 1 86 86 GLU C C 86 175.800 175.800 174.178 1.622 17577 10027 1 12 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.871 0.829 17577 10028 1 12 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.602 0.598 17577 10029 1 12 . 1 1 86 86 GLU H H 86 8.830 8.830 8.956 -0.126 17577 10030 1 12 . 1 1 87 87 VAL N N 87 125.400 125.400 128.199 -2.799 17577 10031 1 12 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.186 -0.016 17577 10032 1 12 . 1 1 87 87 VAL C C 87 176.000 176.000 175.363 0.637 17577 10033 1 12 . 1 1 87 87 VAL CA C 87 63.500 63.500 62.471 1.029 17577 10034 1 12 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.184 -0.184 17577 10035 1 12 . 1 1 87 87 VAL H H 87 8.760 8.760 8.668 0.092 17577 10036 1 12 . 1 1 88 88 LEU N N 88 128.000 128.000 129.462 -1.462 17577 10037 1 12 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.423 -0.033 17577 10038 1 12 . 1 1 88 88 LEU C C 88 177.200 177.200 177.565 -0.365 17577 10039 1 12 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.614 1.387 17577 10040 1 12 . 1 1 88 88 LEU CB C 88 44.200 44.200 41.536 2.664 17577 10041 1 12 . 1 1 88 88 LEU H H 88 8.990 8.990 8.671 0.319 17577 10042 1 12 . 1 1 89 89 ASP N N 89 113.900 113.900 119.960 -6.060 17577 10043 1 12 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.894 -0.114 17577 10044 1 12 . 1 1 89 89 ASP C C 89 173.900 173.900 174.195 -0.295 17577 10045 1 12 . 1 1 89 89 ASP CA C 89 55.900 55.900 53.536 2.364 17577 10046 1 12 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.821 2.779 17577 10047 1 12 . 1 1 89 89 ASP H H 89 7.140 7.140 7.769 -0.629 17577 10048 1 12 . 1 1 90 90 THR N N 90 119.500 119.500 119.226 0.274 17577 10049 1 12 . 1 1 90 90 THR HA H 90 3.800 3.800 4.410 -0.610 17577 10050 1 12 . 1 1 90 90 THR C C 90 169.800 169.800 173.386 -3.586 17577 10051 1 12 . 1 1 90 90 THR CA C 90 61.500 61.500 61.290 0.210 17577 10052 1 12 . 1 1 90 90 THR CB C 90 69.200 69.200 70.489 -1.289 17577 10053 1 12 . 1 1 90 90 THR H H 90 8.070 8.070 8.326 -0.256 17577 10054 1 12 . 1 1 91 91 ASP N N 91 122.400 122.400 128.526 -6.126 17577 10055 1 12 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.372 0.478 17577 10056 1 12 . 1 1 91 91 ASP C C 91 176.800 176.800 176.347 0.453 17577 10057 1 12 . 1 1 91 91 ASP CA C 91 53.900 53.900 55.118 -1.218 17577 10058 1 12 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.123 0.777 17577 10059 1 12 . 1 1 91 91 ASP H H 91 6.790 6.790 8.685 -1.895 17577 10060 1 12 . 1 1 92 92 TYR N N 92 115.100 115.100 115.248 -0.148 17577 10061 1 12 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.982 -0.472 17577 10062 1 12 . 1 1 92 92 TYR C C 92 173.900 173.900 173.882 0.018 17577 10063 1 12 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.185 3.115 17577 10064 1 12 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.429 0.171 17577 10065 1 12 . 1 1 92 92 TYR H H 92 9.420 9.420 8.017 1.403 17577 10066 1 12 . 1 1 93 93 LYS N N 93 112.300 112.300 115.293 -2.993 17577 10067 1 12 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.274 0.396 17577 10068 1 12 . 1 1 93 93 LYS C C 93 175.600 175.600 175.272 0.328 17577 10069 1 12 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.745 2.755 17577 10070 1 12 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.520 4.280 17577 10071 1 12 . 1 1 93 93 LYS H H 93 8.080 8.080 8.230 -0.150 17577 10072 1 12 . 1 1 94 94 SER N N 94 120.300 120.300 112.365 7.935 17577 10073 1 12 . 1 1 94 94 SER HA H 94 4.820 4.820 4.577 0.243 17577 10074 1 12 . 1 1 94 94 SER CA C 94 61.200 61.200 58.968 2.232 17577 10075 1 12 . 1 1 94 94 SER CB C 94 68.800 68.800 65.714 3.086 17577 10076 1 12 . 1 1 94 94 SER H H 94 11.420 11.420 7.527 3.893 17577 10077 1 12 . 1 1 95 95 TYR N N 95 122.700 122.700 114.946 7.754 17577 10078 1 12 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.004 1.146 17577 10079 1 12 . 1 1 95 95 TYR C C 95 173.500 173.500 173.027 0.473 17577 10080 1 12 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.150 2.450 17577 10081 1 12 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.544 2.057 17577 10082 1 12 . 1 1 95 95 TYR H H 95 8.490 8.490 7.078 1.412 17577 10083 1 12 . 1 1 96 96 ALA N N 96 120.900 120.900 120.279 0.621 17577 10084 1 12 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.685 -0.135 17577 10085 1 12 . 1 1 96 96 ALA C C 96 174.700 174.700 174.957 -0.257 17577 10086 1 12 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.794 1.706 17577 10087 1 12 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.409 1.291 17577 10088 1 12 . 1 1 96 96 ALA H H 96 9.010 9.010 8.348 0.662 17577 10089 1 12 . 1 1 97 97 VAL N N 97 121.700 121.700 122.096 -0.396 17577 10090 1 12 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.300 -0.280 17577 10091 1 12 . 1 1 97 97 VAL C C 97 174.300 174.300 174.930 -0.630 17577 10092 1 12 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.152 2.048 17577 10093 1 12 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.281 0.319 17577 10094 1 12 . 1 1 97 97 VAL H H 97 9.310 9.310 8.790 0.520 17577 10095 1 12 . 1 1 98 98 ILE N N 98 129.600 129.600 126.072 3.528 17577 10096 1 12 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.726 0.324 17577 10097 1 12 . 1 1 98 98 ILE C C 98 174.000 174.000 173.989 0.011 17577 10098 1 12 . 1 1 98 98 ILE CA C 98 59.200 59.200 60.016 -0.816 17577 10099 1 12 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.565 0.135 17577 10100 1 12 . 1 1 98 98 ILE H H 98 9.550 9.550 8.225 1.325 17577 10101 1 12 . 1 1 99 99 TYR N N 99 128.100 128.100 127.090 1.010 17577 10102 1 12 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.811 0.449 17577 10103 1 12 . 1 1 99 99 TYR C C 99 173.700 173.700 173.887 -0.187 17577 10104 1 12 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.781 0.919 17577 10105 1 12 . 1 1 99 99 TYR CB C 99 42.200 42.200 40.240 1.960 17577 10106 1 12 . 1 1 99 99 TYR H H 99 9.550 9.550 9.189 0.361 17577 10107 1 12 . 1 1 100 100 ALA N N 100 134.400 134.400 131.503 2.897 17577 10108 1 12 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.206 0.514 17577 10109 1 12 . 1 1 100 100 ALA C C 100 175.500 175.500 175.798 -0.298 17577 10110 1 12 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.978 1.422 17577 10111 1 12 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.629 3.271 17577 10112 1 12 . 1 1 100 100 ALA H H 100 9.610 9.610 8.840 0.770 17577 10113 1 12 . 1 1 101 101 THR N N 101 116.200 116.200 119.070 -2.870 17577 10114 1 12 . 1 1 101 101 THR HA H 101 5.450 5.450 4.848 0.602 17577 10115 1 12 . 1 1 101 101 THR C C 101 173.600 173.600 172.797 0.803 17577 10116 1 12 . 1 1 101 101 THR CA C 101 62.000 62.000 61.547 0.453 17577 10117 1 12 . 1 1 101 101 THR CB C 101 73.100 73.100 71.375 1.725 17577 10118 1 12 . 1 1 101 101 THR H H 101 9.430 9.430 8.821 0.609 17577 10119 1 12 . 1 1 102 102 ARG N N 102 125.700 125.700 128.176 -2.476 17577 10120 1 12 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.905 0.305 17577 10121 1 12 . 1 1 102 102 ARG C C 102 173.900 173.900 173.639 0.261 17577 10122 1 12 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.886 0.614 17577 10123 1 12 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.180 2.920 17577 10124 1 12 . 1 1 102 102 ARG H H 102 8.970 8.970 8.195 0.775 17577 10125 1 12 . 1 1 103 103 VAL N N 103 122.100 122.100 125.676 -3.576 17577 10126 1 12 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.557 0.213 17577 10127 1 12 . 1 1 103 103 VAL C C 103 175.700 175.700 174.351 1.349 17577 10128 1 12 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.512 1.888 17577 10129 1 12 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.258 -0.858 17577 10130 1 12 . 1 1 103 103 VAL H H 103 7.870 7.870 8.129 -0.259 17577 10131 1 12 . 1 1 104 104 LYS N N 104 130.100 130.100 128.490 1.610 17577 10132 1 12 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.588 -0.128 17577 10133 1 12 . 1 1 104 104 LYS C C 104 175.400 175.400 175.790 -0.390 17577 10134 1 12 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.384 1.616 17577 10135 1 12 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.958 1.442 17577 10136 1 12 . 1 1 104 104 LYS H H 104 8.980 8.980 8.877 0.103 17577 10137 1 12 . 1 1 106 106 GLY N N 106 136.200 136.200 111.424 24.776 17577 10138 1 12 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.068 1.332 17577 10139 1 12 . 1 1 106 106 GLY H H 106 8.330 8.330 8.431 -0.101 17577 10140 1 12 . 1 1 107 107 ARG N N 107 121.300 121.300 120.595 0.705 17577 10141 1 12 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.697 -0.027 17577 10142 1 12 . 1 1 107 107 ARG C C 107 174.500 174.500 174.540 -0.040 17577 10143 1 12 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.863 0.537 17577 10144 1 12 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.552 -0.352 17577 10145 1 12 . 1 1 107 107 ARG H H 107 7.880 7.880 8.003 -0.123 17577 10146 1 12 . 1 1 108 108 THR N N 108 118.800 118.800 116.697 2.103 17577 10147 1 12 . 1 1 108 108 THR HA H 108 4.490 4.490 4.609 -0.119 17577 10148 1 12 . 1 1 108 108 THR C C 108 173.400 173.400 173.739 -0.339 17577 10149 1 12 . 1 1 108 108 THR CA C 108 64.100 64.100 61.589 2.511 17577 10150 1 12 . 1 1 108 108 THR CB C 108 69.800 69.800 70.241 -0.441 17577 10151 1 12 . 1 1 108 108 THR H H 108 8.650 8.650 8.328 0.322 17577 10152 1 12 . 1 1 109 109 LEU N N 109 128.900 128.900 122.707 6.193 17577 10153 1 12 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.599 0.131 17577 10154 1 12 . 1 1 109 109 LEU C C 109 175.700 175.700 174.570 1.130 17577 10155 1 12 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.606 -0.306 17577 10156 1 12 . 1 1 109 109 LEU CB C 109 46.500 46.500 45.989 0.511 17577 10157 1 12 . 1 1 109 109 LEU H H 109 9.220 9.220 8.060 1.160 17577 10158 1 12 . 1 1 110 110 HIS N N 110 116.200 116.200 116.956 -0.756 17577 10159 1 12 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.287 0.753 17577 10160 1 12 . 1 1 110 110 HIS C C 110 175.300 175.300 173.786 1.514 17577 10161 1 12 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.423 0.877 17577 10162 1 12 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.694 1.806 17577 10163 1 12 . 1 1 110 110 HIS H H 110 8.490 8.490 8.171 0.319 17577 10164 1 12 . 1 1 111 111 MET N N 111 123.400 123.400 117.072 6.328 17577 10165 1 12 . 1 1 111 111 MET HA H 111 4.550 4.550 4.850 -0.300 17577 10166 1 12 . 1 1 111 111 MET C C 111 174.000 174.000 173.492 0.508 17577 10167 1 12 . 1 1 111 111 MET CA C 111 56.600 56.600 54.768 1.832 17577 10168 1 12 . 1 1 111 111 MET CB C 111 37.800 37.800 36.854 0.946 17577 10169 1 12 . 1 1 111 111 MET H H 111 9.090 9.090 9.033 0.057 17577 10170 1 12 . 1 1 112 112 MET N N 112 122.900 122.900 120.634 2.266 17577 10171 1 12 . 1 1 112 112 MET HA H 112 5.670 5.670 5.238 0.432 17577 10172 1 12 . 1 1 112 112 MET C C 112 175.400 175.400 174.679 0.721 17577 10173 1 12 . 1 1 112 112 MET CA C 112 55.100 55.100 53.840 1.260 17577 10174 1 12 . 1 1 112 112 MET CB C 112 37.200 37.200 36.629 0.571 17577 10175 1 12 . 1 1 112 112 MET H H 112 9.120 9.120 8.287 0.833 17577 10176 1 12 . 1 1 113 113 ARG N N 113 119.500 119.500 119.993 -0.493 17577 10177 1 12 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.781 0.269 17577 10178 1 12 . 1 1 113 113 ARG C C 113 173.800 173.800 173.738 0.062 17577 10179 1 12 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.415 1.585 17577 10180 1 12 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.296 4.304 17577 10181 1 12 . 1 1 113 113 ARG H H 113 9.390 9.390 8.434 0.956 17577 10182 1 12 . 1 1 114 114 LEU N N 114 124.400 124.400 122.276 2.124 17577 10183 1 12 . 1 1 114 114 LEU HA H 114 5.030 5.030 4.865 0.165 17577 10184 1 12 . 1 1 114 114 LEU C C 114 174.200 174.200 174.491 -0.291 17577 10185 1 12 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.007 1.093 17577 10186 1 12 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.384 -0.484 17577 10187 1 12 . 1 1 114 114 LEU H H 114 8.020 8.020 7.596 0.424 17577 10188 1 12 . 1 1 115 115 TYR N N 115 126.000 126.000 125.667 0.333 17577 10189 1 12 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.844 -0.044 17577 10190 1 12 . 1 1 115 115 TYR C C 115 176.500 176.500 176.009 0.491 17577 10191 1 12 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.308 1.692 17577 10192 1 12 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.581 1.319 17577 10193 1 12 . 1 1 115 115 TYR H H 115 9.540 9.540 9.375 0.165 17577 10194 1 12 . 1 1 116 116 SER N N 116 113.200 113.200 114.794 -1.594 17577 10195 1 12 . 1 1 116 116 SER HA H 116 5.840 5.840 5.229 0.611 17577 10196 1 12 . 1 1 116 116 SER C C 116 175.400 175.400 174.372 1.028 17577 10197 1 12 . 1 1 116 116 SER CA C 116 56.600 56.600 56.095 0.505 17577 10198 1 12 . 1 1 116 116 SER CB C 116 67.700 67.700 65.703 1.997 17577 10199 1 12 . 1 1 116 116 SER H H 116 9.930 9.930 8.383 1.547 17577 10200 1 12 . 1 1 117 117 ARG N N 117 130.500 130.500 125.233 5.267 17577 10201 1 12 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.343 -0.663 17577 10202 1 12 . 1 1 117 117 ARG C C 117 175.400 175.400 176.604 -1.204 17577 10203 1 12 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.393 1.907 17577 10204 1 12 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.957 1.542 17577 10205 1 12 . 1 1 117 117 ARG H H 117 8.350 8.350 8.918 -0.568 17577 10206 1 12 . 1 1 118 118 SER N N 118 111.300 111.300 113.344 -2.044 17577 10207 1 12 . 1 1 118 118 SER HA H 118 4.990 4.990 4.951 0.039 17577 10208 1 12 . 1 1 118 118 SER C C 118 173.400 173.400 172.602 0.798 17577 10209 1 12 . 1 1 118 118 SER CA C 118 54.800 54.800 55.153 -0.353 17577 10210 1 12 . 1 1 118 118 SER CB C 118 65.800 65.800 64.764 1.036 17577 10211 1 12 . 1 1 118 118 SER H H 118 7.980 7.980 7.595 0.385 17577 10212 1 12 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.345 0.625 17577 10213 1 12 . 1 1 119 119 PRO C C 119 175.500 175.500 176.157 -0.657 17577 10214 1 12 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.228 0.872 17577 10215 1 12 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.926 0.274 17577 10216 1 12 . 1 1 120 120 GLU N N 120 117.500 117.500 115.748 1.752 17577 10217 1 12 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.330 -0.070 17577 10218 1 12 . 1 1 120 120 GLU C C 120 174.500 174.500 175.266 -0.766 17577 10219 1 12 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.411 0.389 17577 10220 1 12 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.534 -1.834 17577 10221 1 12 . 1 1 120 120 GLU H H 120 7.410 7.410 7.354 0.056 17577 10222 1 12 . 1 1 121 121 VAL N N 121 124.900 124.900 118.903 5.997 17577 10223 1 12 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.170 -0.030 17577 10224 1 12 . 1 1 121 121 VAL C C 121 174.400 174.400 175.741 -1.341 17577 10225 1 12 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.014 0.686 17577 10226 1 12 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.975 1.125 17577 10227 1 12 . 1 1 121 121 VAL H H 121 7.900 7.900 8.222 -0.322 17577 10228 1 12 . 1 1 122 122 SER N N 122 124.500 124.500 123.297 1.203 17577 10229 1 12 . 1 1 122 122 SER HA H 122 4.750 4.750 4.783 -0.033 17577 10230 1 12 . 1 1 122 122 SER CA C 122 57.300 57.300 56.552 0.748 17577 10231 1 12 . 1 1 122 122 SER CB C 122 64.500 64.500 64.072 0.428 17577 10232 1 12 . 1 1 122 122 SER H H 122 8.680 8.680 8.390 0.290 17577 10233 1 12 . 1 1 123 123 PRO C C 123 175.600 175.600 177.889 -2.289 17577 10234 1 12 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.832 0.068 17577 10235 1 12 . 1 1 124 124 ALA N N 124 120.100 120.100 118.410 1.690 17577 10236 1 12 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.150 -0.080 17577 10237 1 12 . 1 1 124 124 ALA C C 124 179.900 179.900 179.228 0.672 17577 10238 1 12 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.324 1.476 17577 10239 1 12 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.991 1.109 17577 10240 1 12 . 1 1 124 124 ALA H H 124 8.030 8.030 8.358 -0.328 17577 10241 1 12 . 1 1 125 125 ALA N N 125 121.100 121.100 121.418 -0.318 17577 10242 1 12 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.022 0.408 17577 10243 1 12 . 1 1 125 125 ALA C C 125 179.200 179.200 179.533 -0.333 17577 10244 1 12 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.648 0.952 17577 10245 1 12 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.140 1.060 17577 10246 1 12 . 1 1 125 125 ALA H H 125 7.510 7.510 8.140 -0.630 17577 10247 1 12 . 1 1 126 126 THR N N 126 113.200 113.200 114.577 -1.377 17577 10248 1 12 . 1 1 126 126 THR HA H 126 4.150 4.150 4.009 0.141 17577 10249 1 12 . 1 1 126 126 THR C C 126 176.100 176.100 176.390 -0.290 17577 10250 1 12 . 1 1 126 126 THR CA C 126 68.900 68.900 66.780 2.120 17577 10251 1 12 . 1 1 126 126 THR CB C 126 67.700 67.700 68.560 -0.860 17577 10252 1 12 . 1 1 126 126 THR H H 126 7.820 7.820 7.783 0.037 17577 10253 1 12 . 1 1 127 127 ALA N N 127 123.100 123.100 124.417 -1.317 17577 10254 1 12 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.070 0.010 17577 10255 1 12 . 1 1 127 127 ALA C C 127 181.100 181.100 178.677 2.423 17577 10256 1 12 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.984 1.216 17577 10257 1 12 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.436 0.264 17577 10258 1 12 . 1 1 127 127 ALA H H 127 7.900 7.900 7.651 0.249 17577 10259 1 12 . 1 1 128 128 ILE N N 128 120.900 120.900 119.905 0.995 17577 10260 1 12 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.777 -0.037 17577 10261 1 12 . 1 1 128 128 ILE C C 128 177.300 177.300 177.014 0.286 17577 10262 1 12 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.368 2.232 17577 10263 1 12 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.861 2.539 17577 10264 1 12 . 1 1 128 128 ILE H H 128 7.640 7.640 8.031 -0.391 17577 10265 1 12 . 1 1 129 129 PHE N N 129 120.300 120.300 120.043 0.257 17577 10266 1 12 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.031 -0.021 17577 10267 1 12 . 1 1 129 129 PHE C C 129 176.100 176.100 176.951 -0.851 17577 10268 1 12 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.814 1.486 17577 10269 1 12 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.597 2.303 17577 10270 1 12 . 1 1 129 129 PHE H H 129 8.250 8.250 7.654 0.596 17577 10271 1 12 . 1 1 130 130 ARG N N 130 116.300 116.300 118.490 -2.190 17577 10272 1 12 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.613 -0.053 17577 10273 1 12 . 1 1 130 130 ARG C C 130 179.400 179.400 178.212 1.188 17577 10274 1 12 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.422 1.677 17577 10275 1 12 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.076 0.524 17577 10276 1 12 . 1 1 130 130 ARG H H 130 8.650 8.650 7.467 1.183 17577 10277 1 12 . 1 1 131 131 LYS N N 131 122.200 122.200 120.587 1.613 17577 10278 1 12 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.871 0.159 17577 10279 1 12 . 1 1 131 131 LYS C C 131 179.300 179.300 179.055 0.245 17577 10280 1 12 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.685 0.815 17577 10281 1 12 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.182 1.018 17577 10282 1 12 . 1 1 131 131 LYS H H 131 8.020 8.020 7.949 0.071 17577 10283 1 12 . 1 1 132 132 LEU N N 132 120.300 120.300 118.714 1.586 17577 10284 1 12 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.896 0.034 17577 10285 1 12 . 1 1 132 132 LEU C C 132 179.600 179.600 178.847 0.753 17577 10286 1 12 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.364 1.236 17577 10287 1 12 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.395 1.105 17577 10288 1 12 . 1 1 132 132 LEU H H 132 8.450 8.450 7.585 0.865 17577 10289 1 12 . 1 1 133 133 ALA N N 133 122.400 122.400 120.249 2.151 17577 10290 1 12 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.651 0.319 17577 10291 1 12 . 1 1 133 133 ALA C C 133 180.400 180.400 179.241 1.159 17577 10292 1 12 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.416 1.584 17577 10293 1 12 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.026 -0.126 17577 10294 1 12 . 1 1 133 133 ALA H H 133 8.750 8.750 7.480 1.270 17577 10295 1 12 . 1 1 134 134 GLY N N 134 107.400 107.400 105.246 2.154 17577 10296 1 12 . 1 1 134 134 GLY C C 134 178.200 178.200 176.486 1.714 17577 10297 1 12 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.626 1.474 17577 10298 1 12 . 1 1 134 134 GLY H H 134 8.130 8.130 8.231 -0.101 17577 10299 1 12 . 1 1 135 135 GLU N N 135 121.900 121.900 120.400 1.500 17577 10300 1 12 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.114 -0.064 17577 10301 1 12 . 1 1 135 135 GLU C C 135 177.400 177.400 177.534 -0.134 17577 10302 1 12 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.045 1.255 17577 10303 1 12 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.487 0.913 17577 10304 1 12 . 1 1 135 135 GLU H H 135 7.730 7.730 7.665 0.065 17577 10305 1 12 . 1 1 136 136 ARG N N 136 118.000 118.000 118.002 -0.002 17577 10306 1 12 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.429 -0.279 17577 10307 1 12 . 1 1 136 136 ARG C C 136 173.500 173.500 175.246 -1.746 17577 10308 1 12 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.485 0.315 17577 10309 1 12 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.346 -1.446 17577 10310 1 12 . 1 1 136 136 ARG H H 136 7.130 7.130 7.296 -0.166 17577 10311 1 12 . 1 1 137 137 ASN N N 137 109.600 109.600 116.064 -6.464 17577 10312 1 12 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.404 -0.254 17577 10313 1 12 . 1 1 137 137 ASN C C 137 174.200 174.200 174.935 -0.735 17577 10314 1 12 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.124 1.876 17577 10315 1 12 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.795 0.405 17577 10316 1 12 . 1 1 137 137 ASN H H 137 7.560 7.560 8.219 -0.659 17577 10317 1 12 . 1 1 138 138 TYR N N 138 118.600 118.600 117.402 1.198 17577 10318 1 12 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.667 0.623 17577 10319 1 12 . 1 1 138 138 TYR C C 138 175.900 175.900 175.216 0.684 17577 10320 1 12 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.832 0.868 17577 10321 1 12 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.273 -1.673 17577 10322 1 12 . 1 1 138 138 TYR H H 138 8.020 8.020 7.983 0.037 17577 10323 1 12 . 1 1 139 139 THR N N 139 115.000 115.000 110.663 4.337 17577 10324 1 12 . 1 1 139 139 THR HA H 139 4.420 4.420 4.147 0.273 17577 10325 1 12 . 1 1 139 139 THR C C 139 175.500 175.500 174.824 0.676 17577 10326 1 12 . 1 1 139 139 THR CA C 139 61.400 61.400 59.120 2.280 17577 10327 1 12 . 1 1 139 139 THR CB C 139 71.400 71.400 72.675 -1.275 17577 10328 1 12 . 1 1 139 139 THR H H 139 7.740 7.740 7.682 0.058 17577 10329 1 12 . 1 1 140 140 ASP N N 140 117.900 117.900 123.153 -5.253 17577 10330 1 12 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.076 0.184 17577 10331 1 12 . 1 1 140 140 ASP C C 140 178.400 178.400 178.340 0.060 17577 10332 1 12 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.673 1.327 17577 10333 1 12 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.461 1.339 17577 10334 1 12 . 1 1 140 140 ASP H H 140 8.630 8.630 8.643 -0.013 17577 10335 1 12 . 1 1 141 141 GLU N N 141 116.800 116.800 116.963 -0.163 17577 10336 1 12 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.063 0.207 17577 10337 1 12 . 1 1 141 141 GLU C C 141 176.200 176.200 177.542 -1.342 17577 10338 1 12 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.302 0.798 17577 10339 1 12 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.135 0.965 17577 10340 1 12 . 1 1 141 141 GLU H H 141 8.500 8.500 8.607 -0.107 17577 10341 1 12 . 1 1 142 142 MET N N 142 117.400 117.400 116.852 0.548 17577 10342 1 12 . 1 1 142 142 MET HA H 142 4.490 4.490 4.372 0.118 17577 10343 1 12 . 1 1 142 142 MET C C 142 172.900 172.900 175.153 -2.253 17577 10344 1 12 . 1 1 142 142 MET CA C 142 57.100 57.100 57.070 0.030 17577 10345 1 12 . 1 1 142 142 MET CB C 142 33.400 33.400 34.167 -0.767 17577 10346 1 12 . 1 1 142 142 MET H H 142 7.960 7.960 7.695 0.265 17577 10347 1 12 . 1 1 143 143 VAL N N 143 116.800 116.800 118.068 -1.268 17577 10348 1 12 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.934 -0.144 17577 10349 1 12 . 1 1 143 143 VAL C C 143 175.600 175.600 174.209 1.391 17577 10350 1 12 . 1 1 143 143 VAL CA C 143 62.200 62.200 60.283 1.917 17577 10351 1 12 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.947 -0.446 17577 10352 1 12 . 1 1 143 143 VAL H H 143 7.120 7.120 7.362 -0.242 17577 10353 1 12 . 1 1 144 144 ALA N N 144 131.000 131.000 132.437 -1.437 17577 10354 1 12 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.905 -0.095 17577 10355 1 12 . 1 1 144 144 ALA C C 144 175.800 175.800 176.239 -0.439 17577 10356 1 12 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.613 0.887 17577 10357 1 12 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.606 0.994 17577 10358 1 12 . 1 1 144 144 ALA H H 144 9.600 9.600 9.098 0.502 17577 10359 1 12 . 1 1 145 145 MET N N 145 122.400 122.400 122.695 -0.295 17577 10360 1 12 . 1 1 145 145 MET HA H 145 4.890 4.890 4.508 0.382 17577 10361 1 12 . 1 1 145 145 MET C C 145 176.900 176.900 175.859 1.041 17577 10362 1 12 . 1 1 145 145 MET CA C 145 54.000 54.000 55.263 -1.263 17577 10363 1 12 . 1 1 145 145 MET CB C 145 30.100 30.100 33.179 -3.079 17577 10364 1 12 . 1 1 145 145 MET H H 145 8.630 8.630 8.595 0.035 17577 10365 1 12 . 1 1 146 146 LEU N N 146 125.400 125.400 122.051 3.349 17577 10366 1 12 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.826 -0.286 17577 10367 1 12 . 1 1 146 146 LEU C C 146 174.500 174.500 174.789 -0.289 17577 10368 1 12 . 1 1 146 146 LEU CA C 146 53.900 53.900 52.187 1.713 17577 10369 1 12 . 1 1 146 146 LEU CB C 146 42.800 42.800 42.611 0.189 17577 10370 1 12 . 1 1 146 146 LEU H H 146 7.880 7.880 8.081 -0.201 17577 10371 1 12 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.704 -0.124 17577 10372 1 12 . 1 1 147 147 PRO C C 147 176.200 176.200 176.944 -0.744 17577 10373 1 12 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.016 1.284 17577 10374 1 12 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.028 0.572 17577 10375 1 12 . 1 1 148 148 ARG N N 148 120.700 120.700 116.961 3.739 17577 10376 1 12 . 1 1 148 148 ARG HA H 148 4.270 4.270 3.954 0.316 17577 10377 1 12 . 1 1 148 148 ARG C C 148 175.500 175.500 175.740 -0.240 17577 10378 1 12 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.521 0.779 17577 10379 1 12 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.931 2.469 17577 10380 1 12 . 1 1 148 148 ARG H H 148 8.540 8.540 8.429 0.111 17577 10381 1 12 . 1 1 149 149 GLN N N 149 115.000 115.000 121.507 -6.507 17577 10382 1 12 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.137 0.583 17577 10383 1 12 . 1 1 149 149 GLN C C 149 174.300 174.300 174.812 -0.512 17577 10384 1 12 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.196 -1.296 17577 10385 1 12 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.607 1.093 17577 10386 1 12 . 1 1 149 149 GLN H H 149 7.770 7.770 8.359 -0.589 17577 10387 1 12 . 1 1 150 150 GLU N N 150 117.800 117.800 121.270 -3.470 17577 10388 1 12 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.665 -0.195 17577 10389 1 12 . 1 1 150 150 GLU C C 150 175.800 175.800 175.218 0.582 17577 10390 1 12 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.732 1.568 17577 10391 1 12 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.459 -0.059 17577 10392 1 12 . 1 1 150 150 GLU H H 150 8.570 8.570 8.453 0.117 17577 10393 1 12 . 1 1 151 151 GLU N N 151 119.200 119.200 120.998 -1.798 17577 10394 1 12 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.507 -0.247 17577 10395 1 12 . 1 1 151 151 GLU C C 151 176.000 176.000 176.245 -0.245 17577 10396 1 12 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.488 3.012 17577 10397 1 12 . 1 1 151 151 GLU CB C 151 32.200 32.200 29.849 2.352 17577 10398 1 12 . 1 1 151 151 GLU H H 151 8.000 8.000 8.600 -0.600 17577 10399 1 12 . 1 1 152 152 CYS N N 152 122.100 122.100 119.310 2.790 17577 10400 1 12 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.532 0.608 17577 10401 1 12 . 1 1 152 152 CYS C C 152 172.800 172.800 173.538 -0.738 17577 10402 1 12 . 1 1 152 152 CYS CA C 152 54.000 54.000 59.427 -5.427 17577 10403 1 12 . 1 1 152 152 CYS CB C 152 34.900 34.900 28.328 6.572 17577 10404 1 12 . 1 1 152 152 CYS H H 152 9.620 9.620 8.294 1.326 17577 10405 1 12 . 1 1 153 153 THR N N 153 118.000 118.000 112.582 5.418 17577 10406 1 12 . 1 1 153 153 THR HA H 153 4.860 4.860 4.540 0.320 17577 10407 1 12 . 1 1 153 153 THR C C 153 173.000 173.000 173.061 -0.061 17577 10408 1 12 . 1 1 153 153 THR CA C 153 59.800 59.800 60.283 -0.483 17577 10409 1 12 . 1 1 153 153 THR CB C 153 72.500 72.500 71.248 1.252 17577 10410 1 12 . 1 1 153 153 THR H H 153 8.490 8.490 8.094 0.396 17577 10411 1 12 . 1 1 154 154 VAL N N 154 114.900 114.900 119.418 -4.518 17577 10412 1 12 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.184 -0.064 17577 10413 1 12 . 1 1 154 154 VAL C C 154 175.500 175.500 175.313 0.187 17577 10414 1 12 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.019 -0.019 17577 10415 1 12 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.397 0.703 17577 10416 1 12 . 1 1 154 154 VAL H H 154 6.920 6.920 7.961 -1.041 17577 10417 1 12 . 1 1 155 155 ASP N N 155 124.100 124.100 125.396 -1.296 17577 10418 1 12 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.617 -0.127 17577 10419 1 12 . 1 1 155 155 ASP C C 155 175.800 175.800 176.839 -1.039 17577 10420 1 12 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.974 1.726 17577 10421 1 12 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.060 1.240 17577 10422 1 12 . 1 1 155 155 ASP H H 155 8.390 8.390 8.376 0.014 17577 10423 1 12 . 1 1 156 156 GLU N N 156 121.000 121.000 121.498 -0.498 17577 10424 1 12 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.197 -0.027 17577 10425 1 12 . 1 1 156 156 GLU C C 156 175.400 175.400 176.738 -1.338 17577 10426 1 12 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.259 0.241 17577 10427 1 12 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.593 1.807 17577 10428 1 12 . 1 1 156 156 GLU H H 156 8.450 8.450 8.561 -0.111 17577 10429 1 13 . 1 1 4 4 PRO C C 4 175.800 175.800 177.319 -1.519 17577 10430 1 13 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.327 1.973 17577 10431 1 13 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.613 0.387 17577 10432 1 13 . 1 1 5 5 ASP N N 5 119.400 119.400 121.524 -2.124 17577 10433 1 13 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.269 0.241 17577 10434 1 13 . 1 1 5 5 ASP C C 5 177.100 177.100 177.898 -0.798 17577 10435 1 13 . 1 1 5 5 ASP CA C 5 54.800 54.800 55.697 -0.897 17577 10436 1 13 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.012 2.388 17577 10437 1 13 . 1 1 5 5 ASP H H 5 8.090 8.090 8.807 -0.717 17577 10438 1 13 . 1 1 6 6 ARG N N 6 124.800 124.800 119.350 5.450 17577 10439 1 13 . 1 1 6 6 ARG C C 6 177.300 177.300 177.717 -0.417 17577 10440 1 13 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.102 -0.102 17577 10441 1 13 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.833 0.667 17577 10442 1 13 . 1 1 6 6 ARG H H 6 8.590 8.590 7.898 0.692 17577 10443 1 13 . 1 1 7 7 SER N N 7 113.800 113.800 114.096 -0.296 17577 10444 1 13 . 1 1 7 7 SER CA C 7 62.400 62.400 61.256 1.144 17577 10445 1 13 . 1 1 7 7 SER CB C 7 63.800 63.800 62.855 0.945 17577 10446 1 13 . 1 1 7 7 SER H H 7 8.240 8.240 7.818 0.422 17577 10447 1 13 . 1 1 8 8 GLU N N 8 120.200 120.200 121.057 -0.857 17577 10448 1 13 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.108 0.222 17577 10449 1 13 . 1 1 8 8 GLU C C 8 177.100 177.100 177.802 -0.702 17577 10450 1 13 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.363 0.337 17577 10451 1 13 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.732 1.168 17577 10452 1 13 . 1 1 8 8 GLU H H 8 8.030 8.030 7.730 0.300 17577 10453 1 13 . 1 1 9 9 ILE N N 9 112.800 112.800 119.604 -6.804 17577 10454 1 13 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.917 0.433 17577 10455 1 13 . 1 1 9 9 ILE C C 9 175.000 175.000 175.021 -0.021 17577 10456 1 13 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.927 1.473 17577 10457 1 13 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.669 1.331 17577 10458 1 13 . 1 1 9 9 ILE H H 9 7.530 7.530 7.522 0.008 17577 10459 1 13 . 1 1 10 10 ALA N N 10 120.400 120.400 121.905 -1.505 17577 10460 1 13 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.570 -0.500 17577 10461 1 13 . 1 1 10 10 ALA C C 10 177.500 177.500 177.767 -0.267 17577 10462 1 13 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.298 -0.298 17577 10463 1 13 . 1 1 10 10 ALA CB C 10 20.400 20.400 18.910 1.490 17577 10464 1 13 . 1 1 10 10 ALA H H 10 7.410 7.410 8.437 -1.027 17577 10465 1 13 . 1 1 11 11 GLY N N 11 108.300 108.300 111.550 -3.250 17577 10466 1 13 . 1 1 11 11 GLY C C 11 173.700 173.700 173.599 0.101 17577 10467 1 13 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.276 0.024 17577 10468 1 13 . 1 1 11 11 GLY H H 11 8.780 8.780 8.377 0.403 17577 10469 1 13 . 1 1 12 12 LYS N N 12 122.300 122.300 121.258 1.042 17577 10470 1 13 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.964 -0.134 17577 10471 1 13 . 1 1 12 12 LYS C C 12 175.900 175.900 174.968 0.932 17577 10472 1 13 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.180 2.120 17577 10473 1 13 . 1 1 12 12 LYS CB C 12 35.000 35.000 35.305 -0.305 17577 10474 1 13 . 1 1 12 12 LYS H H 12 8.740 8.740 8.078 0.662 17577 10475 1 13 . 1 1 13 13 TRP N N 13 126.000 126.000 125.324 0.676 17577 10476 1 13 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.961 -0.331 17577 10477 1 13 . 1 1 13 13 TRP C C 13 173.300 173.300 174.735 -1.435 17577 10478 1 13 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.204 1.496 17577 10479 1 13 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.237 4.163 17577 10480 1 13 . 1 1 13 13 TRP H H 13 9.440 9.440 9.763 -0.323 17577 10481 1 13 . 1 1 14 14 TYR N N 14 118.300 118.300 123.409 -5.109 17577 10482 1 13 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.886 0.164 17577 10483 1 13 . 1 1 14 14 TYR C C 14 175.400 175.400 174.671 0.729 17577 10484 1 13 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.485 1.315 17577 10485 1 13 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.298 1.202 17577 10486 1 13 . 1 1 14 14 TYR H H 14 9.370 9.370 8.772 0.598 17577 10487 1 13 . 1 1 15 15 VAL N N 15 124.200 124.200 125.034 -0.834 17577 10488 1 13 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.668 0.372 17577 10489 1 13 . 1 1 15 15 VAL C C 15 175.500 175.500 175.037 0.463 17577 10490 1 13 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.789 0.911 17577 10491 1 13 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.693 -0.293 17577 10492 1 13 . 1 1 15 15 VAL H H 15 9.000 9.000 8.772 0.228 17577 10493 1 13 . 1 1 16 16 VAL N N 16 114.600 114.600 122.697 -8.097 17577 10494 1 13 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.428 0.222 17577 10495 1 13 . 1 1 16 16 VAL C C 16 175.900 175.900 174.009 1.891 17577 10496 1 13 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.359 0.841 17577 10497 1 13 . 1 1 16 16 VAL CB C 16 33.600 33.600 34.280 -0.680 17577 10498 1 13 . 1 1 16 16 VAL H H 16 8.420 8.420 8.392 0.028 17577 10499 1 13 . 1 1 17 17 ALA N N 17 122.900 122.900 121.246 1.654 17577 10500 1 13 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.231 0.039 17577 10501 1 13 . 1 1 17 17 ALA C C 17 174.200 174.200 175.548 -1.348 17577 10502 1 13 . 1 1 17 17 ALA CA C 17 53.100 53.100 49.545 3.554 17577 10503 1 13 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.959 2.141 17577 10504 1 13 . 1 1 17 17 ALA H H 17 7.590 7.590 7.166 0.424 17577 10505 1 13 . 1 1 18 18 LEU N N 18 118.000 118.000 120.112 -2.112 17577 10506 1 13 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.360 0.080 17577 10507 1 13 . 1 1 18 18 LEU C C 18 176.100 176.100 174.250 1.850 17577 10508 1 13 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.700 -0.700 17577 10509 1 13 . 1 1 18 18 LEU CB C 18 49.800 49.800 47.226 2.574 17577 10510 1 13 . 1 1 18 18 LEU H H 18 8.570 8.570 8.018 0.552 17577 10511 1 13 . 1 1 19 19 ALA N N 19 120.300 120.300 123.929 -3.629 17577 10512 1 13 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.726 -0.296 17577 10513 1 13 . 1 1 19 19 ALA C C 19 174.400 174.400 175.647 -1.247 17577 10514 1 13 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.985 1.715 17577 10515 1 13 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.474 0.626 17577 10516 1 13 . 1 1 19 19 ALA H H 19 8.360 8.360 8.662 -0.302 17577 10517 1 13 . 1 1 20 20 SER N N 20 114.200 114.200 116.127 -1.927 17577 10518 1 13 . 1 1 20 20 SER HA H 20 3.890 3.890 4.851 -0.961 17577 10519 1 13 . 1 1 20 20 SER C C 20 170.700 170.700 172.523 -1.823 17577 10520 1 13 . 1 1 20 20 SER CA C 20 57.200 57.200 57.471 -0.271 17577 10521 1 13 . 1 1 20 20 SER CB C 20 64.200 64.200 64.762 -0.562 17577 10522 1 13 . 1 1 20 20 SER H H 20 7.450 7.450 8.443 -0.993 17577 10523 1 13 . 1 1 21 21 ASN N N 21 117.500 117.500 117.771 -0.271 17577 10524 1 13 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.932 0.288 17577 10525 1 13 . 1 1 21 21 ASN C C 21 176.500 176.500 175.497 1.003 17577 10526 1 13 . 1 1 21 21 ASN CA C 21 52.500 52.500 52.688 -0.188 17577 10527 1 13 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.365 -0.065 17577 10528 1 13 . 1 1 21 21 ASN H H 21 7.980 7.980 8.448 -0.468 17577 10529 1 13 . 1 1 22 22 THR N N 22 112.100 112.100 118.061 -5.961 17577 10530 1 13 . 1 1 22 22 THR HA H 22 4.420 4.420 4.477 -0.057 17577 10531 1 13 . 1 1 22 22 THR C C 22 174.800 174.800 175.290 -0.490 17577 10532 1 13 . 1 1 22 22 THR CA C 22 63.200 63.200 62.828 0.372 17577 10533 1 13 . 1 1 22 22 THR CB C 22 71.800 71.800 68.406 3.394 17577 10534 1 13 . 1 1 22 22 THR H H 22 8.140 8.140 8.015 0.125 17577 10535 1 13 . 1 1 23 23 GLU N N 23 122.700 122.700 126.633 -3.933 17577 10536 1 13 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.852 0.898 17577 10537 1 13 . 1 1 23 23 GLU C C 23 178.800 178.800 178.459 0.341 17577 10538 1 13 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.972 1.328 17577 10539 1 13 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.351 0.949 17577 10540 1 13 . 1 1 23 23 GLU H H 23 8.980 8.980 8.789 0.191 17577 10541 1 13 . 1 1 24 24 PHE N N 24 118.200 118.200 120.219 -2.019 17577 10542 1 13 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.157 -0.177 17577 10543 1 13 . 1 1 24 24 PHE C C 24 175.900 175.900 176.605 -0.705 17577 10544 1 13 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.897 2.003 17577 10545 1 13 . 1 1 24 24 PHE CB C 24 40.700 40.700 38.641 2.059 17577 10546 1 13 . 1 1 24 24 PHE H H 24 8.610 8.610 8.084 0.526 17577 10547 1 13 . 1 1 25 25 PHE N N 25 119.000 119.000 118.752 0.248 17577 10548 1 13 . 1 1 25 25 PHE HA H 25 3.840 3.840 3.783 0.057 17577 10549 1 13 . 1 1 25 25 PHE C C 25 176.500 176.500 177.538 -1.038 17577 10550 1 13 . 1 1 25 25 PHE CA C 25 62.800 62.800 61.899 0.901 17577 10551 1 13 . 1 1 25 25 PHE CB C 25 40.400 40.400 38.851 1.549 17577 10552 1 13 . 1 1 25 25 PHE H H 25 7.730 7.730 8.356 -0.626 17577 10553 1 13 . 1 1 26 26 LEU N N 26 115.900 115.900 116.810 -0.910 17577 10554 1 13 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.001 -0.271 17577 10555 1 13 . 1 1 26 26 LEU C C 26 179.200 179.200 178.915 0.285 17577 10556 1 13 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.926 0.774 17577 10557 1 13 . 1 1 26 26 LEU CB C 26 42.000 42.000 40.992 1.008 17577 10558 1 13 . 1 1 26 26 LEU H H 26 8.380 8.380 7.707 0.673 17577 10559 1 13 . 1 1 27 27 ARG N N 27 116.900 116.900 120.003 -3.103 17577 10560 1 13 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.020 0.090 17577 10561 1 13 . 1 1 27 27 ARG C C 27 178.400 178.400 177.995 0.405 17577 10562 1 13 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.817 0.383 17577 10563 1 13 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.360 1.740 17577 10564 1 13 . 1 1 27 27 ARG H H 27 7.720 7.720 7.943 -0.223 17577 10565 1 13 . 1 1 28 28 GLU N N 28 116.000 116.000 117.839 -1.839 17577 10566 1 13 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.109 0.251 17577 10567 1 13 . 1 1 28 28 GLU C C 28 178.200 178.200 178.940 -0.740 17577 10568 1 13 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.603 -1.903 17577 10569 1 13 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.853 1.047 17577 10570 1 13 . 1 1 28 28 GLU H H 28 7.660 7.660 7.889 -0.229 17577 10571 1 13 . 1 1 29 29 LYS N N 29 120.700 120.700 119.098 1.602 17577 10572 1 13 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.119 0.021 17577 10573 1 13 . 1 1 29 29 LYS C C 29 177.900 177.900 178.902 -1.002 17577 10574 1 13 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.653 1.247 17577 10575 1 13 . 1 1 29 29 LYS CB C 29 31.400 31.400 31.938 -0.538 17577 10576 1 13 . 1 1 29 29 LYS H H 29 7.910 7.910 8.491 -0.581 17577 10577 1 13 . 1 1 30 30 ASP N N 30 118.800 118.800 117.868 0.932 17577 10578 1 13 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.406 -0.016 17577 10579 1 13 . 1 1 30 30 ASP C C 30 177.000 177.000 176.846 0.154 17577 10580 1 13 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.337 0.864 17577 10581 1 13 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.442 0.158 17577 10582 1 13 . 1 1 30 30 ASP H H 30 8.390 8.390 7.818 0.572 17577 10583 1 13 . 1 1 31 31 LYS N N 31 118.000 118.000 117.172 0.828 17577 10584 1 13 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.317 0.073 17577 10585 1 13 . 1 1 31 31 LYS C C 31 177.200 177.200 176.306 0.894 17577 10586 1 13 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.571 0.430 17577 10587 1 13 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.358 0.842 17577 10588 1 13 . 1 1 31 31 LYS H H 31 8.110 8.110 7.792 0.318 17577 10589 1 13 . 1 1 32 32 MET N N 32 120.300 120.300 118.213 2.087 17577 10590 1 13 . 1 1 32 32 MET HA H 32 4.520 4.520 4.339 0.181 17577 10591 1 13 . 1 1 32 32 MET C C 32 176.200 176.200 175.560 0.640 17577 10592 1 13 . 1 1 32 32 MET CA C 32 58.000 58.000 56.559 1.440 17577 10593 1 13 . 1 1 32 32 MET CB C 32 33.500 33.500 34.017 -0.516 17577 10594 1 13 . 1 1 32 32 MET H H 32 7.240 7.240 7.535 -0.295 17577 10595 1 13 . 1 1 33 33 LYS N N 33 120.200 120.200 116.164 4.036 17577 10596 1 13 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.557 0.143 17577 10597 1 13 . 1 1 33 33 LYS C C 33 173.000 173.000 175.161 -2.161 17577 10598 1 13 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.970 1.130 17577 10599 1 13 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.788 4.312 17577 10600 1 13 . 1 1 33 33 LYS H H 33 8.560 8.560 8.211 0.349 17577 10601 1 13 . 1 1 34 34 MET N N 34 118.300 118.300 120.674 -2.374 17577 10602 1 13 . 1 1 34 34 MET HA H 34 4.080 4.080 4.208 -0.128 17577 10603 1 13 . 1 1 34 34 MET C C 34 173.800 173.800 175.304 -1.504 17577 10604 1 13 . 1 1 34 34 MET CA C 34 59.500 59.500 56.291 3.209 17577 10605 1 13 . 1 1 34 34 MET CB C 34 35.700 35.700 33.263 2.437 17577 10606 1 13 . 1 1 34 34 MET H H 34 8.370 8.370 7.889 0.481 17577 10607 1 13 . 1 1 35 35 ALA N N 35 126.000 126.000 128.017 -2.017 17577 10608 1 13 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.052 0.208 17577 10609 1 13 . 1 1 35 35 ALA C C 35 176.100 176.100 175.740 0.360 17577 10610 1 13 . 1 1 35 35 ALA CA C 35 50.600 50.600 49.918 0.682 17577 10611 1 13 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.280 1.520 17577 10612 1 13 . 1 1 35 35 ALA H H 35 7.360 7.360 8.779 -1.419 17577 10613 1 13 . 1 1 36 36 MET N N 36 117.100 117.100 114.887 2.213 17577 10614 1 13 . 1 1 36 36 MET HA H 36 5.280 5.280 5.461 -0.181 17577 10615 1 13 . 1 1 36 36 MET C C 36 172.600 172.600 174.564 -1.964 17577 10616 1 13 . 1 1 36 36 MET CA C 36 56.100 56.100 52.482 3.618 17577 10617 1 13 . 1 1 36 36 MET CB C 36 39.600 39.600 36.424 3.176 17577 10618 1 13 . 1 1 36 36 MET H H 36 8.920 8.920 8.830 0.090 17577 10619 1 13 . 1 1 37 37 ALA N N 37 121.700 121.700 120.662 1.038 17577 10620 1 13 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.863 0.567 17577 10621 1 13 . 1 1 37 37 ALA C C 37 175.400 175.400 175.145 0.255 17577 10622 1 13 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.696 -0.496 17577 10623 1 13 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.678 1.722 17577 10624 1 13 . 1 1 37 37 ALA H H 37 8.980 8.980 9.212 -0.232 17577 10625 1 13 . 1 1 38 38 ARG N N 38 120.400 120.400 119.619 0.781 17577 10626 1 13 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.845 0.305 17577 10627 1 13 . 1 1 38 38 ARG C C 38 174.900 174.900 173.872 1.028 17577 10628 1 13 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.077 0.123 17577 10629 1 13 . 1 1 38 38 ARG CB C 38 34.600 34.600 34.065 0.535 17577 10630 1 13 . 1 1 38 38 ARG H H 38 9.180 9.180 7.928 1.252 17577 10631 1 13 . 1 1 39 39 ILE N N 39 126.000 126.000 124.331 1.669 17577 10632 1 13 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.939 -0.019 17577 10633 1 13 . 1 1 39 39 ILE C C 39 175.100 175.100 174.218 0.882 17577 10634 1 13 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.609 1.591 17577 10635 1 13 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.889 0.511 17577 10636 1 13 . 1 1 39 39 ILE H H 39 8.930 8.930 8.496 0.434 17577 10637 1 13 . 1 1 40 40 SER N N 40 121.700 121.700 121.562 0.138 17577 10638 1 13 . 1 1 40 40 SER HA H 40 4.630 4.630 4.373 0.257 17577 10639 1 13 . 1 1 40 40 SER CA C 40 57.900 57.900 56.546 1.354 17577 10640 1 13 . 1 1 40 40 SER CB C 40 66.300 66.300 66.025 0.275 17577 10641 1 13 . 1 1 40 40 SER H H 40 8.780 8.780 8.376 0.404 17577 10642 1 13 . 1 1 41 41 PHE N N 41 122.300 122.300 122.489 -0.189 17577 10643 1 13 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.639 0.011 17577 10644 1 13 . 1 1 41 41 PHE C C 41 175.900 175.900 176.156 -0.256 17577 10645 1 13 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.580 2.520 17577 10646 1 13 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.416 3.284 17577 10647 1 13 . 1 1 41 41 PHE H H 41 9.080 9.080 8.366 0.714 17577 10648 1 13 . 1 1 42 42 LEU N N 42 125.100 125.100 124.527 0.573 17577 10649 1 13 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.141 0.489 17577 10650 1 13 . 1 1 42 42 LEU C C 42 176.400 176.400 177.767 -1.367 17577 10651 1 13 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.265 -0.765 17577 10652 1 13 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.382 1.418 17577 10653 1 13 . 1 1 42 42 LEU H H 42 8.540 8.540 8.110 0.430 17577 10654 1 13 . 1 1 43 43 GLY N N 43 108.700 108.700 102.571 6.129 17577 10655 1 13 . 1 1 43 43 GLY C C 43 173.700 173.700 174.228 -0.528 17577 10656 1 13 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.915 0.985 17577 10657 1 13 . 1 1 43 43 GLY H H 43 8.310 8.310 7.942 0.368 17577 10658 1 13 . 1 1 44 44 GLU N N 44 120.300 120.300 120.714 -0.414 17577 10659 1 13 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.071 0.039 17577 10660 1 13 . 1 1 44 44 GLU C C 44 177.200 177.200 176.790 0.410 17577 10661 1 13 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.966 0.634 17577 10662 1 13 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.629 1.171 17577 10663 1 13 . 1 1 44 44 GLU H H 44 8.900 8.900 8.807 0.093 17577 10664 1 13 . 1 1 45 45 ASP N N 45 115.200 115.200 112.954 2.246 17577 10665 1 13 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.716 0.154 17577 10666 1 13 . 1 1 45 45 ASP C C 45 174.500 174.500 174.948 -0.448 17577 10667 1 13 . 1 1 45 45 ASP CA C 45 54.800 54.800 52.930 1.870 17577 10668 1 13 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.364 2.336 17577 10669 1 13 . 1 1 45 45 ASP H H 45 8.500 8.500 8.155 0.345 17577 10670 1 13 . 1 1 46 46 GLU N N 46 117.800 117.800 118.643 -0.843 17577 10671 1 13 . 1 1 46 46 GLU HA H 46 5.570 5.570 5.032 0.538 17577 10672 1 13 . 1 1 46 46 GLU C C 46 174.800 174.800 174.415 0.385 17577 10673 1 13 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.766 0.534 17577 10674 1 13 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.828 1.171 17577 10675 1 13 . 1 1 46 46 GLU H H 46 7.450 7.450 8.197 -0.747 17577 10676 1 13 . 1 1 47 47 LEU N N 47 124.200 124.200 122.540 1.660 17577 10677 1 13 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.318 -0.438 17577 10678 1 13 . 1 1 47 47 LEU C C 47 173.900 173.900 174.871 -0.971 17577 10679 1 13 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.026 2.275 17577 10680 1 13 . 1 1 47 47 LEU CB C 47 46.100 46.100 46.313 -0.213 17577 10681 1 13 . 1 1 47 47 LEU H H 47 9.160 9.160 8.883 0.277 17577 10682 1 13 . 1 1 48 48 LYS N N 48 123.800 123.800 122.569 1.231 17577 10683 1 13 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.776 0.174 17577 10684 1 13 . 1 1 48 48 LYS C C 48 174.300 174.300 174.700 -0.400 17577 10685 1 13 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.405 0.595 17577 10686 1 13 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.716 1.084 17577 10687 1 13 . 1 1 48 48 LYS H H 48 9.020 9.020 8.633 0.387 17577 10688 1 13 . 1 1 49 49 VAL N N 49 126.600 126.600 126.714 -0.114 17577 10689 1 13 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.873 -0.263 17577 10690 1 13 . 1 1 49 49 VAL C C 49 173.800 173.800 174.167 -0.367 17577 10691 1 13 . 1 1 49 49 VAL CA C 49 61.300 61.300 60.013 1.287 17577 10692 1 13 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.575 -0.275 17577 10693 1 13 . 1 1 49 49 VAL H H 49 8.920 8.920 9.180 -0.260 17577 10694 1 13 . 1 1 50 50 SER N N 50 120.900 120.900 119.474 1.426 17577 10695 1 13 . 1 1 50 50 SER HA H 50 4.860 4.860 4.892 -0.032 17577 10696 1 13 . 1 1 50 50 SER CA C 50 57.300 57.300 56.012 1.288 17577 10697 1 13 . 1 1 50 50 SER CB C 50 65.100 65.100 64.997 0.103 17577 10698 1 13 . 1 1 50 50 SER H H 50 8.360 8.360 8.430 -0.070 17577 10699 1 13 . 1 1 51 51 TYR N N 51 122.000 122.000 123.222 -1.222 17577 10700 1 13 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.827 0.023 17577 10701 1 13 . 1 1 51 51 TYR C C 51 176.800 176.800 173.384 3.416 17577 10702 1 13 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.013 2.187 17577 10703 1 13 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.779 1.821 17577 10704 1 13 . 1 1 51 51 TYR H H 51 8.990 8.990 8.392 0.598 17577 10705 1 13 . 1 1 52 52 ALA N N 52 124.000 124.000 125.252 -1.252 17577 10706 1 13 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.635 0.235 17577 10707 1 13 . 1 1 52 52 ALA C C 52 174.800 174.800 175.054 -0.254 17577 10708 1 13 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.563 2.437 17577 10709 1 13 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.446 0.354 17577 10710 1 13 . 1 1 52 52 ALA H H 52 8.640 8.640 9.211 -0.571 17577 10711 1 13 . 1 1 53 53 VAL N N 53 124.300 124.300 124.623 -0.323 17577 10712 1 13 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.544 0.226 17577 10713 1 13 . 1 1 53 53 VAL C C 53 174.200 174.200 173.872 0.328 17577 10714 1 13 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.267 1.033 17577 10715 1 13 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.636 1.864 17577 10716 1 13 . 1 1 53 53 VAL H H 53 9.120 9.120 7.827 1.293 17577 10717 1 13 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.569 0.131 17577 10718 1 13 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.365 2.335 17577 10719 1 13 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.848 1.052 17577 10720 1 13 . 1 1 55 55 LYS N N 55 121.100 121.100 124.358 -3.258 17577 10721 1 13 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.706 0.224 17577 10722 1 13 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.111 1.489 17577 10723 1 13 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.494 -0.094 17577 10724 1 13 . 1 1 55 55 LYS H H 55 8.040 8.040 8.247 -0.207 17577 10725 1 13 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.255 0.025 17577 10726 1 13 . 1 1 56 56 PRO C C 56 177.200 177.200 176.631 0.569 17577 10727 1 13 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.779 1.621 17577 10728 1 13 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.751 0.549 17577 10729 1 13 . 1 1 57 57 ASN N N 57 114.200 114.200 114.783 -0.583 17577 10730 1 13 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.764 -0.044 17577 10731 1 13 . 1 1 57 57 ASN C C 57 174.900 174.900 174.863 0.037 17577 10732 1 13 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.828 1.172 17577 10733 1 13 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.932 0.368 17577 10734 1 13 . 1 1 57 57 ASN H H 57 8.370 8.370 8.058 0.312 17577 10735 1 13 . 1 1 58 58 GLY N N 58 106.500 106.500 108.612 -2.112 17577 10736 1 13 . 1 1 58 58 GLY C C 58 172.000 172.000 173.935 -1.935 17577 10737 1 13 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.370 2.630 17577 10738 1 13 . 1 1 58 58 GLY H H 58 7.810 7.810 8.164 -0.354 17577 10739 1 13 . 1 1 60 60 ARG N N 60 132.300 132.300 122.572 9.728 17577 10740 1 13 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.701 -0.121 17577 10741 1 13 . 1 1 60 60 ARG C C 60 174.000 174.000 174.157 -0.157 17577 10742 1 13 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.190 1.310 17577 10743 1 13 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.362 0.038 17577 10744 1 13 . 1 1 60 60 ARG H H 60 9.120 9.120 8.317 0.803 17577 10745 1 13 . 1 1 61 61 LYS N N 61 126.200 126.200 126.784 -0.584 17577 10746 1 13 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.944 0.576 17577 10747 1 13 . 1 1 61 61 LYS C C 61 175.900 175.900 175.045 0.855 17577 10748 1 13 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.047 1.053 17577 10749 1 13 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.157 0.943 17577 10750 1 13 . 1 1 61 61 LYS H H 61 8.500 8.500 8.488 0.012 17577 10751 1 13 . 1 1 62 62 TRP N N 62 121.900 121.900 125.411 -3.511 17577 10752 1 13 . 1 1 62 62 TRP HA H 62 4.860 4.860 5.011 -0.151 17577 10753 1 13 . 1 1 62 62 TRP C C 62 171.900 171.900 174.011 -2.111 17577 10754 1 13 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.022 1.678 17577 10755 1 13 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.980 0.320 17577 10756 1 13 . 1 1 62 62 TRP H H 62 8.070 8.070 7.959 0.111 17577 10757 1 13 . 1 1 63 63 GLU N N 63 117.100 117.100 121.133 -4.033 17577 10758 1 13 . 1 1 63 63 GLU HA H 63 5.610 5.610 5.006 0.604 17577 10759 1 13 . 1 1 63 63 GLU C C 63 175.500 175.500 175.610 -0.110 17577 10760 1 13 . 1 1 63 63 GLU CA C 63 55.200 55.200 55.337 -0.137 17577 10761 1 13 . 1 1 63 63 GLU CB C 63 35.100 35.100 33.492 1.608 17577 10762 1 13 . 1 1 63 63 GLU H H 63 8.450 8.450 8.550 -0.100 17577 10763 1 13 . 1 1 64 64 THR N N 64 117.400 117.400 121.220 -3.820 17577 10764 1 13 . 1 1 64 64 THR HA H 64 4.600 4.600 4.872 -0.272 17577 10765 1 13 . 1 1 64 64 THR C C 64 171.800 171.800 173.286 -1.486 17577 10766 1 13 . 1 1 64 64 THR CA C 64 63.000 63.000 61.770 1.230 17577 10767 1 13 . 1 1 64 64 THR CB C 64 72.700 72.700 72.896 -0.196 17577 10768 1 13 . 1 1 64 64 THR H H 64 8.980 8.980 9.452 -0.472 17577 10769 1 13 . 1 1 65 65 THR N N 65 119.100 119.100 120.980 -1.880 17577 10770 1 13 . 1 1 65 65 THR HA H 65 5.260 5.260 5.071 0.189 17577 10771 1 13 . 1 1 65 65 THR C C 65 173.700 173.700 173.088 0.612 17577 10772 1 13 . 1 1 65 65 THR CA C 65 62.300 62.300 62.426 -0.126 17577 10773 1 13 . 1 1 65 65 THR CB C 65 71.100 71.100 70.471 0.629 17577 10774 1 13 . 1 1 65 65 THR H H 65 8.380 8.380 8.886 -0.506 17577 10775 1 13 . 1 1 66 66 PHE N N 66 123.400 123.400 125.523 -2.123 17577 10776 1 13 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.948 -0.118 17577 10777 1 13 . 1 1 66 66 PHE C C 66 174.200 174.200 172.780 1.420 17577 10778 1 13 . 1 1 66 66 PHE CA C 66 58.100 58.100 55.813 2.287 17577 10779 1 13 . 1 1 66 66 PHE CB C 66 45.600 45.600 41.567 4.033 17577 10780 1 13 . 1 1 66 66 PHE H H 66 9.590 9.590 9.313 0.277 17577 10781 1 13 . 1 1 67 67 LYS N N 67 119.700 119.700 126.125 -6.425 17577 10782 1 13 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.655 0.865 17577 10783 1 13 . 1 1 67 67 LYS C C 67 176.500 176.500 175.748 0.752 17577 10784 1 13 . 1 1 67 67 LYS CA C 67 55.500 55.500 53.737 1.763 17577 10785 1 13 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.501 0.799 17577 10786 1 13 . 1 1 67 67 LYS H H 67 8.880 8.880 8.933 -0.053 17577 10787 1 13 . 1 1 68 68 LYS N N 68 129.100 129.100 124.365 4.735 17577 10788 1 13 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.598 0.282 17577 10789 1 13 . 1 1 68 68 LYS C C 68 177.400 177.400 176.444 0.956 17577 10790 1 13 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.462 1.238 17577 10791 1 13 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.632 2.668 17577 10792 1 13 . 1 1 68 68 LYS H H 68 8.850 8.850 8.089 0.761 17577 10793 1 13 . 1 1 69 69 THR N N 69 118.500 118.500 119.461 -0.961 17577 10794 1 13 . 1 1 69 69 THR HA H 69 4.710 4.710 4.532 0.178 17577 10795 1 13 . 1 1 69 69 THR C C 69 174.600 174.600 175.126 -0.526 17577 10796 1 13 . 1 1 69 69 THR CA C 69 61.900 61.900 60.150 1.750 17577 10797 1 13 . 1 1 69 69 THR CB C 69 70.800 70.800 69.884 0.916 17577 10798 1 13 . 1 1 69 69 THR H H 69 8.720 8.720 8.684 0.036 17577 10799 1 13 . 1 1 70 70 SER N N 70 111.800 111.800 118.357 -6.557 17577 10800 1 13 . 1 1 70 70 SER HA H 70 4.420 4.420 4.569 -0.149 17577 10801 1 13 . 1 1 70 70 SER C C 70 174.500 174.500 174.354 0.146 17577 10802 1 13 . 1 1 70 70 SER CA C 70 59.300 59.300 58.417 0.883 17577 10803 1 13 . 1 1 70 70 SER CB C 70 64.400 64.400 62.273 2.127 17577 10804 1 13 . 1 1 70 70 SER H H 70 8.350 8.350 8.727 -0.377 17577 10805 1 13 . 1 1 71 71 ASP N N 71 121.100 121.100 123.473 -2.373 17577 10806 1 13 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.604 -0.224 17577 10807 1 13 . 1 1 71 71 ASP C C 71 175.600 175.600 176.163 -0.563 17577 10808 1 13 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.520 -0.420 17577 10809 1 13 . 1 1 71 71 ASP CB C 71 43.000 43.000 42.029 0.971 17577 10810 1 13 . 1 1 71 71 ASP H H 71 7.960 7.960 8.378 -0.418 17577 10811 1 13 . 1 1 72 72 ASP N N 72 121.000 121.000 118.165 2.835 17577 10812 1 13 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.758 -0.308 17577 10813 1 13 . 1 1 72 72 ASP C C 72 175.900 175.900 175.867 0.033 17577 10814 1 13 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.021 2.079 17577 10815 1 13 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.980 1.120 17577 10816 1 13 . 1 1 72 72 ASP H H 72 8.500 8.500 8.133 0.367 17577 10817 1 13 . 1 1 73 73 GLY N N 73 109.100 109.100 115.158 -6.058 17577 10818 1 13 . 1 1 73 73 GLY C C 73 172.800 172.800 174.819 -2.019 17577 10819 1 13 . 1 1 73 73 GLY CA C 73 45.500 45.500 46.057 -0.557 17577 10820 1 13 . 1 1 73 73 GLY H H 73 8.200 8.200 8.639 -0.439 17577 10821 1 13 . 1 1 74 74 GLU N N 74 123.300 123.300 126.167 -2.867 17577 10822 1 13 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.661 0.109 17577 10823 1 13 . 1 1 74 74 GLU C C 74 173.600 173.600 174.523 -0.923 17577 10824 1 13 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.434 -0.033 17577 10825 1 13 . 1 1 74 74 GLU CB C 74 30.600 30.600 29.870 0.730 17577 10826 1 13 . 1 1 74 74 GLU H H 74 8.780 8.780 8.368 0.412 17577 10827 1 13 . 1 1 75 75 VAL N N 75 123.500 123.500 119.948 3.552 17577 10828 1 13 . 1 1 75 75 VAL HA H 75 5.040 5.040 3.680 1.360 17577 10829 1 13 . 1 1 75 75 VAL C C 75 174.100 174.100 174.136 -0.036 17577 10830 1 13 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.538 1.962 17577 10831 1 13 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.605 -1.605 17577 10832 1 13 . 1 1 75 75 VAL H H 75 7.870 7.870 8.028 -0.158 17577 10833 1 13 . 1 1 76 76 TYR N N 76 125.000 125.000 120.701 4.299 17577 10834 1 13 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.405 0.835 17577 10835 1 13 . 1 1 76 76 TYR C C 76 174.300 174.300 174.197 0.103 17577 10836 1 13 . 1 1 76 76 TYR CA C 76 57.800 57.800 54.984 2.816 17577 10837 1 13 . 1 1 76 76 TYR CB C 76 43.700 43.700 38.982 4.718 17577 10838 1 13 . 1 1 76 76 TYR H H 76 9.360 9.360 7.423 1.937 17577 10839 1 13 . 1 1 77 77 TYR N N 77 120.500 120.500 122.777 -2.277 17577 10840 1 13 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.985 0.895 17577 10841 1 13 . 1 1 77 77 TYR C C 77 174.600 174.600 174.674 -0.074 17577 10842 1 13 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.944 1.056 17577 10843 1 13 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.900 1.700 17577 10844 1 13 . 1 1 77 77 TYR H H 77 9.480 9.480 8.763 0.717 17577 10845 1 13 . 1 1 78 78 SER N N 78 125.100 125.100 122.249 2.851 17577 10846 1 13 . 1 1 78 78 SER HA H 78 4.830 4.830 5.106 -0.276 17577 10847 1 13 . 1 1 78 78 SER C C 78 174.300 174.300 175.240 -0.940 17577 10848 1 13 . 1 1 78 78 SER CA C 78 55.600 55.600 57.104 -1.504 17577 10849 1 13 . 1 1 78 78 SER CB C 78 64.400 64.400 63.658 0.742 17577 10850 1 13 . 1 1 78 78 SER H H 78 8.570 8.570 9.199 -0.629 17577 10851 1 13 . 1 1 79 79 GLU N N 79 130.000 130.000 127.335 2.665 17577 10852 1 13 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.959 0.021 17577 10853 1 13 . 1 1 79 79 GLU C C 79 178.600 178.600 178.498 0.102 17577 10854 1 13 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.526 0.574 17577 10855 1 13 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.560 0.940 17577 10856 1 13 . 1 1 79 79 GLU H H 79 8.670 8.670 9.101 -0.431 17577 10857 1 13 . 1 1 80 80 GLU N N 80 118.900 118.900 119.225 -0.325 17577 10858 1 13 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.157 -0.157 17577 10859 1 13 . 1 1 80 80 GLU C C 80 177.700 177.700 177.192 0.508 17577 10860 1 13 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.546 1.454 17577 10861 1 13 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.568 0.932 17577 10862 1 13 . 1 1 80 80 GLU H H 80 8.560 8.560 8.855 -0.295 17577 10863 1 13 . 1 1 81 81 ALA N N 81 117.600 117.600 118.733 -1.133 17577 10864 1 13 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.464 -0.074 17577 10865 1 13 . 1 1 81 81 ALA C C 81 176.000 176.000 176.323 -0.323 17577 10866 1 13 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.110 1.290 17577 10867 1 13 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.475 1.125 17577 10868 1 13 . 1 1 81 81 ALA H H 81 7.410 7.410 7.564 -0.154 17577 10869 1 13 . 1 1 82 82 LYS N N 82 118.300 118.300 117.193 1.107 17577 10870 1 13 . 1 1 82 82 LYS HA H 82 3.870 3.870 4.034 -0.164 17577 10871 1 13 . 1 1 82 82 LYS C C 82 175.100 175.100 174.678 0.422 17577 10872 1 13 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.426 -0.226 17577 10873 1 13 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.880 0.420 17577 10874 1 13 . 1 1 82 82 LYS H H 82 7.830 7.830 7.834 -0.004 17577 10875 1 13 . 1 1 83 83 LYS N N 83 118.400 118.400 119.381 -0.981 17577 10876 1 13 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.995 0.445 17577 10877 1 13 . 1 1 83 83 LYS C C 83 172.400 172.400 174.284 -1.884 17577 10878 1 13 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.393 0.107 17577 10879 1 13 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.138 2.962 17577 10880 1 13 . 1 1 83 83 LYS H H 83 7.150 7.150 7.705 -0.555 17577 10881 1 13 . 1 1 84 84 LYS N N 84 130.000 130.000 125.057 4.943 17577 10882 1 13 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.849 0.831 17577 10883 1 13 . 1 1 84 84 LYS C C 84 174.900 174.900 174.123 0.777 17577 10884 1 13 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.218 1.482 17577 10885 1 13 . 1 1 84 84 LYS CB C 84 38.000 38.000 35.838 2.162 17577 10886 1 13 . 1 1 84 84 LYS H H 84 9.540 9.540 8.841 0.699 17577 10887 1 13 . 1 1 85 85 VAL N N 85 121.100 121.100 118.136 2.964 17577 10888 1 13 . 1 1 85 85 VAL HA H 85 4.980 4.980 4.937 0.043 17577 10889 1 13 . 1 1 85 85 VAL C C 85 173.000 173.000 174.218 -1.218 17577 10890 1 13 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.537 1.863 17577 10891 1 13 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.752 1.948 17577 10892 1 13 . 1 1 85 85 VAL H H 85 9.510 9.510 8.066 1.444 17577 10893 1 13 . 1 1 86 86 GLU N N 86 123.700 123.700 126.893 -3.193 17577 10894 1 13 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.379 0.941 17577 10895 1 13 . 1 1 86 86 GLU C C 86 175.800 175.800 174.183 1.617 17577 10896 1 13 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.890 0.810 17577 10897 1 13 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.605 0.595 17577 10898 1 13 . 1 1 86 86 GLU H H 86 8.830 8.830 8.871 -0.041 17577 10899 1 13 . 1 1 87 87 VAL N N 87 125.400 125.400 128.231 -2.831 17577 10900 1 13 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.181 -0.011 17577 10901 1 13 . 1 1 87 87 VAL C C 87 176.000 176.000 175.354 0.646 17577 10902 1 13 . 1 1 87 87 VAL CA C 87 63.500 63.500 62.460 1.040 17577 10903 1 13 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.186 -0.186 17577 10904 1 13 . 1 1 87 87 VAL H H 87 8.760 8.760 8.683 0.077 17577 10905 1 13 . 1 1 88 88 LEU N N 88 128.000 128.000 129.460 -1.460 17577 10906 1 13 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.420 -0.030 17577 10907 1 13 . 1 1 88 88 LEU C C 88 177.200 177.200 177.573 -0.373 17577 10908 1 13 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.585 1.415 17577 10909 1 13 . 1 1 88 88 LEU CB C 88 44.200 44.200 41.557 2.643 17577 10910 1 13 . 1 1 88 88 LEU H H 88 8.990 8.990 8.667 0.323 17577 10911 1 13 . 1 1 89 89 ASP N N 89 113.900 113.900 119.853 -5.953 17577 10912 1 13 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.891 -0.111 17577 10913 1 13 . 1 1 89 89 ASP C C 89 173.900 173.900 174.161 -0.261 17577 10914 1 13 . 1 1 89 89 ASP CA C 89 55.900 55.900 53.563 2.337 17577 10915 1 13 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.888 2.712 17577 10916 1 13 . 1 1 89 89 ASP H H 89 7.140 7.140 7.765 -0.625 17577 10917 1 13 . 1 1 90 90 THR N N 90 119.500 119.500 118.667 0.833 17577 10918 1 13 . 1 1 90 90 THR HA H 90 3.800 3.800 4.433 -0.633 17577 10919 1 13 . 1 1 90 90 THR C C 90 169.800 169.800 173.344 -3.544 17577 10920 1 13 . 1 1 90 90 THR CA C 90 61.500 61.500 61.348 0.152 17577 10921 1 13 . 1 1 90 90 THR CB C 90 69.200 69.200 70.508 -1.308 17577 10922 1 13 . 1 1 90 90 THR H H 90 8.070 8.070 8.276 -0.206 17577 10923 1 13 . 1 1 91 91 ASP N N 91 122.400 122.400 128.901 -6.501 17577 10924 1 13 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.413 0.437 17577 10925 1 13 . 1 1 91 91 ASP C C 91 176.800 176.800 176.860 -0.060 17577 10926 1 13 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.853 -0.953 17577 10927 1 13 . 1 1 91 91 ASP CB C 91 41.900 41.900 40.959 0.941 17577 10928 1 13 . 1 1 91 91 ASP H H 91 6.790 6.790 8.866 -2.076 17577 10929 1 13 . 1 1 92 92 TYR N N 92 115.100 115.100 113.669 1.431 17577 10930 1 13 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.908 -0.398 17577 10931 1 13 . 1 1 92 92 TYR C C 92 173.900 173.900 174.686 -0.786 17577 10932 1 13 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.628 2.672 17577 10933 1 13 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.454 0.146 17577 10934 1 13 . 1 1 92 92 TYR H H 92 9.420 9.420 8.208 1.212 17577 10935 1 13 . 1 1 93 93 LYS N N 93 112.300 112.300 115.636 -3.336 17577 10936 1 13 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.371 0.299 17577 10937 1 13 . 1 1 93 93 LYS C C 93 175.600 175.600 175.551 0.049 17577 10938 1 13 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.954 2.546 17577 10939 1 13 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.285 4.515 17577 10940 1 13 . 1 1 93 93 LYS H H 93 8.080 8.080 8.235 -0.155 17577 10941 1 13 . 1 1 94 94 SER N N 94 120.300 120.300 112.143 8.157 17577 10942 1 13 . 1 1 94 94 SER HA H 94 4.820 4.820 4.516 0.304 17577 10943 1 13 . 1 1 94 94 SER CA C 94 61.200 61.200 59.362 1.838 17577 10944 1 13 . 1 1 94 94 SER CB C 94 68.800 68.800 64.203 4.597 17577 10945 1 13 . 1 1 94 94 SER H H 94 11.420 11.420 7.678 3.742 17577 10946 1 13 . 1 1 95 95 TYR N N 95 122.700 122.700 115.094 7.606 17577 10947 1 13 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.327 0.823 17577 10948 1 13 . 1 1 95 95 TYR C C 95 173.500 173.500 173.076 0.424 17577 10949 1 13 . 1 1 95 95 TYR CA C 95 58.600 58.600 55.950 2.650 17577 10950 1 13 . 1 1 95 95 TYR CB C 95 42.600 42.600 41.019 1.581 17577 10951 1 13 . 1 1 95 95 TYR H H 95 8.490 8.490 7.148 1.342 17577 10952 1 13 . 1 1 96 96 ALA N N 96 120.900 120.900 120.391 0.509 17577 10953 1 13 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.682 -0.132 17577 10954 1 13 . 1 1 96 96 ALA C C 96 174.700 174.700 174.992 -0.292 17577 10955 1 13 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.749 1.751 17577 10956 1 13 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.407 1.293 17577 10957 1 13 . 1 1 96 96 ALA H H 96 9.010 9.010 8.347 0.663 17577 10958 1 13 . 1 1 97 97 VAL N N 97 121.700 121.700 122.153 -0.453 17577 10959 1 13 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.331 -0.311 17577 10960 1 13 . 1 1 97 97 VAL C C 97 174.300 174.300 174.956 -0.656 17577 10961 1 13 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.124 2.076 17577 10962 1 13 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.242 0.358 17577 10963 1 13 . 1 1 97 97 VAL H H 97 9.310 9.310 8.771 0.539 17577 10964 1 13 . 1 1 98 98 ILE N N 98 129.600 129.600 126.019 3.581 17577 10965 1 13 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.712 0.338 17577 10966 1 13 . 1 1 98 98 ILE C C 98 174.000 174.000 174.023 -0.023 17577 10967 1 13 . 1 1 98 98 ILE CA C 98 59.200 59.200 60.012 -0.812 17577 10968 1 13 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.574 0.126 17577 10969 1 13 . 1 1 98 98 ILE H H 98 9.550 9.550 8.201 1.349 17577 10970 1 13 . 1 1 99 99 TYR N N 99 128.100 128.100 126.950 1.150 17577 10971 1 13 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.774 0.486 17577 10972 1 13 . 1 1 99 99 TYR C C 99 173.700 173.700 173.990 -0.290 17577 10973 1 13 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.987 0.713 17577 10974 1 13 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.939 2.261 17577 10975 1 13 . 1 1 99 99 TYR H H 99 9.550 9.550 9.123 0.427 17577 10976 1 13 . 1 1 100 100 ALA N N 100 134.400 134.400 131.199 3.201 17577 10977 1 13 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.308 0.412 17577 10978 1 13 . 1 1 100 100 ALA C C 100 175.500 175.500 175.644 -0.144 17577 10979 1 13 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.952 1.448 17577 10980 1 13 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.693 3.207 17577 10981 1 13 . 1 1 100 100 ALA H H 100 9.610 9.610 8.836 0.774 17577 10982 1 13 . 1 1 101 101 THR N N 101 116.200 116.200 113.776 2.424 17577 10983 1 13 . 1 1 101 101 THR HA H 101 5.450 5.450 4.733 0.717 17577 10984 1 13 . 1 1 101 101 THR C C 101 173.600 173.600 172.733 0.867 17577 10985 1 13 . 1 1 101 101 THR CA C 101 62.000 62.000 61.004 0.996 17577 10986 1 13 . 1 1 101 101 THR CB C 101 73.100 73.100 71.734 1.366 17577 10987 1 13 . 1 1 101 101 THR H H 101 9.430 9.430 8.840 0.590 17577 10988 1 13 . 1 1 102 102 ARG N N 102 125.700 125.700 126.772 -1.072 17577 10989 1 13 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.955 0.255 17577 10990 1 13 . 1 1 102 102 ARG C C 102 173.900 173.900 173.842 0.058 17577 10991 1 13 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.868 0.632 17577 10992 1 13 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.682 2.418 17577 10993 1 13 . 1 1 102 102 ARG H H 102 8.970 8.970 8.041 0.929 17577 10994 1 13 . 1 1 103 103 VAL N N 103 122.100 122.100 125.905 -3.805 17577 10995 1 13 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.612 0.158 17577 10996 1 13 . 1 1 103 103 VAL C C 103 175.700 175.700 174.648 1.052 17577 10997 1 13 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.528 1.873 17577 10998 1 13 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.348 -0.948 17577 10999 1 13 . 1 1 103 103 VAL H H 103 7.870 7.870 8.152 -0.282 17577 11000 1 13 . 1 1 104 104 LYS N N 104 130.100 130.100 128.556 1.544 17577 11001 1 13 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.593 -0.133 17577 11002 1 13 . 1 1 104 104 LYS C C 104 175.400 175.400 175.470 -0.070 17577 11003 1 13 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.244 1.756 17577 11004 1 13 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.463 1.937 17577 11005 1 13 . 1 1 104 104 LYS H H 104 8.980 8.980 8.785 0.195 17577 11006 1 13 . 1 1 106 106 GLY N N 106 136.200 136.200 113.211 22.989 17577 11007 1 13 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.927 1.473 17577 11008 1 13 . 1 1 106 106 GLY H H 106 8.330 8.330 8.748 -0.418 17577 11009 1 13 . 1 1 107 107 ARG N N 107 121.300 121.300 121.187 0.113 17577 11010 1 13 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.749 -0.079 17577 11011 1 13 . 1 1 107 107 ARG C C 107 174.500 174.500 174.199 0.301 17577 11012 1 13 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.227 0.173 17577 11013 1 13 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.037 0.163 17577 11014 1 13 . 1 1 107 107 ARG H H 107 7.880 7.880 7.963 -0.083 17577 11015 1 13 . 1 1 108 108 THR N N 108 118.800 118.800 118.940 -0.140 17577 11016 1 13 . 1 1 108 108 THR HA H 108 4.490 4.490 4.564 -0.074 17577 11017 1 13 . 1 1 108 108 THR C C 108 173.400 173.400 173.602 -0.202 17577 11018 1 13 . 1 1 108 108 THR CA C 108 64.100 64.100 61.613 2.487 17577 11019 1 13 . 1 1 108 108 THR CB C 108 69.800 69.800 70.394 -0.594 17577 11020 1 13 . 1 1 108 108 THR H H 108 8.650 8.650 8.354 0.296 17577 11021 1 13 . 1 1 109 109 LEU N N 109 128.900 128.900 122.775 6.125 17577 11022 1 13 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.823 -0.093 17577 11023 1 13 . 1 1 109 109 LEU C C 109 175.700 175.700 174.941 0.759 17577 11024 1 13 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.546 -0.246 17577 11025 1 13 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.166 0.334 17577 11026 1 13 . 1 1 109 109 LEU H H 109 9.220 9.220 8.023 1.197 17577 11027 1 13 . 1 1 110 110 HIS N N 110 116.200 116.200 117.701 -1.501 17577 11028 1 13 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.146 0.894 17577 11029 1 13 . 1 1 110 110 HIS C C 110 175.300 175.300 173.424 1.876 17577 11030 1 13 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.334 0.966 17577 11031 1 13 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.392 2.108 17577 11032 1 13 . 1 1 110 110 HIS H H 110 8.490 8.490 8.284 0.206 17577 11033 1 13 . 1 1 111 111 MET N N 111 123.400 123.400 117.461 5.939 17577 11034 1 13 . 1 1 111 111 MET HA H 111 4.550 4.550 4.772 -0.222 17577 11035 1 13 . 1 1 111 111 MET C C 111 174.000 174.000 173.346 0.654 17577 11036 1 13 . 1 1 111 111 MET CA C 111 56.600 56.600 54.640 1.960 17577 11037 1 13 . 1 1 111 111 MET CB C 111 37.800 37.800 36.782 1.018 17577 11038 1 13 . 1 1 111 111 MET H H 111 9.090 9.090 9.009 0.081 17577 11039 1 13 . 1 1 112 112 MET N N 112 122.900 122.900 120.325 2.575 17577 11040 1 13 . 1 1 112 112 MET HA H 112 5.670 5.670 5.277 0.393 17577 11041 1 13 . 1 1 112 112 MET C C 112 175.400 175.400 174.659 0.741 17577 11042 1 13 . 1 1 112 112 MET CA C 112 55.100 55.100 53.921 1.179 17577 11043 1 13 . 1 1 112 112 MET CB C 112 37.200 37.200 36.837 0.363 17577 11044 1 13 . 1 1 112 112 MET H H 112 9.120 9.120 8.370 0.750 17577 11045 1 13 . 1 1 113 113 ARG N N 113 119.500 119.500 120.291 -0.791 17577 11046 1 13 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.814 0.236 17577 11047 1 13 . 1 1 113 113 ARG C C 113 173.800 173.800 173.798 0.002 17577 11048 1 13 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.815 1.185 17577 11049 1 13 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.938 3.663 17577 11050 1 13 . 1 1 113 113 ARG H H 113 9.390 9.390 8.400 0.990 17577 11051 1 13 . 1 1 114 114 LEU N N 114 124.400 124.400 122.066 2.334 17577 11052 1 13 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.014 0.016 17577 11053 1 13 . 1 1 114 114 LEU C C 114 174.200 174.200 174.570 -0.370 17577 11054 1 13 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.062 1.038 17577 11055 1 13 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.613 -0.713 17577 11056 1 13 . 1 1 114 114 LEU H H 114 8.020 8.020 7.654 0.366 17577 11057 1 13 . 1 1 115 115 TYR N N 115 126.000 126.000 125.270 0.730 17577 11058 1 13 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.810 -0.010 17577 11059 1 13 . 1 1 115 115 TYR C C 115 176.500 176.500 175.977 0.523 17577 11060 1 13 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.205 1.795 17577 11061 1 13 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.576 1.324 17577 11062 1 13 . 1 1 115 115 TYR H H 115 9.540 9.540 9.327 0.213 17577 11063 1 13 . 1 1 116 116 SER N N 116 113.200 113.200 114.514 -1.314 17577 11064 1 13 . 1 1 116 116 SER HA H 116 5.840 5.840 5.268 0.572 17577 11065 1 13 . 1 1 116 116 SER C C 116 175.400 175.400 174.517 0.883 17577 11066 1 13 . 1 1 116 116 SER CA C 116 56.600 56.600 55.986 0.614 17577 11067 1 13 . 1 1 116 116 SER CB C 116 67.700 67.700 65.610 2.090 17577 11068 1 13 . 1 1 116 116 SER H H 116 9.930 9.930 8.406 1.524 17577 11069 1 13 . 1 1 117 117 ARG N N 117 130.500 130.500 126.486 4.014 17577 11070 1 13 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.235 -0.555 17577 11071 1 13 . 1 1 117 117 ARG C C 117 175.400 175.400 176.403 -1.003 17577 11072 1 13 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.288 2.012 17577 11073 1 13 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.799 1.701 17577 11074 1 13 . 1 1 117 117 ARG H H 117 8.350 8.350 8.975 -0.625 17577 11075 1 13 . 1 1 118 118 SER N N 118 111.300 111.300 112.731 -1.431 17577 11076 1 13 . 1 1 118 118 SER HA H 118 4.990 4.990 4.740 0.250 17577 11077 1 13 . 1 1 118 118 SER C C 118 173.400 173.400 172.377 1.023 17577 11078 1 13 . 1 1 118 118 SER CA C 118 54.800 54.800 55.102 -0.302 17577 11079 1 13 . 1 1 118 118 SER CB C 118 65.800 65.800 64.691 1.109 17577 11080 1 13 . 1 1 118 118 SER H H 118 7.980 7.980 7.516 0.464 17577 11081 1 13 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.276 -0.306 17577 11082 1 13 . 1 1 119 119 PRO C C 119 175.500 175.500 176.283 -0.783 17577 11083 1 13 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.413 0.687 17577 11084 1 13 . 1 1 119 119 PRO CB C 119 32.200 32.200 32.032 0.168 17577 11085 1 13 . 1 1 120 120 GLU N N 120 117.500 117.500 117.226 0.274 17577 11086 1 13 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.316 -0.056 17577 11087 1 13 . 1 1 120 120 GLU C C 120 174.500 174.500 175.205 -0.705 17577 11088 1 13 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.769 0.031 17577 11089 1 13 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.522 -0.822 17577 11090 1 13 . 1 1 120 120 GLU H H 120 7.410 7.410 7.392 0.018 17577 11091 1 13 . 1 1 121 121 VAL N N 121 124.900 124.900 120.421 4.479 17577 11092 1 13 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.265 -0.125 17577 11093 1 13 . 1 1 121 121 VAL C C 121 174.400 174.400 175.676 -1.276 17577 11094 1 13 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.760 0.940 17577 11095 1 13 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.114 1.986 17577 11096 1 13 . 1 1 121 121 VAL H H 121 7.900 7.900 8.182 -0.282 17577 11097 1 13 . 1 1 122 122 SER N N 122 124.500 124.500 124.319 0.181 17577 11098 1 13 . 1 1 122 122 SER HA H 122 4.750 4.750 4.721 0.029 17577 11099 1 13 . 1 1 122 122 SER CA C 122 57.300 57.300 55.748 1.552 17577 11100 1 13 . 1 1 122 122 SER CB C 122 64.500 64.500 63.801 0.699 17577 11101 1 13 . 1 1 122 122 SER H H 122 8.680 8.680 8.335 0.345 17577 11102 1 13 . 1 1 123 123 PRO C C 123 175.600 175.600 177.727 -2.127 17577 11103 1 13 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.290 0.610 17577 11104 1 13 . 1 1 124 124 ALA N N 124 120.100 120.100 118.626 1.474 17577 11105 1 13 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.143 -0.073 17577 11106 1 13 . 1 1 124 124 ALA C C 124 179.900 179.900 178.891 1.009 17577 11107 1 13 . 1 1 124 124 ALA CA C 124 55.800 55.800 53.768 2.032 17577 11108 1 13 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.152 0.948 17577 11109 1 13 . 1 1 124 124 ALA H H 124 8.030 8.030 7.956 0.074 17577 11110 1 13 . 1 1 125 125 ALA N N 125 121.100 121.100 121.349 -0.249 17577 11111 1 13 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.119 0.311 17577 11112 1 13 . 1 1 125 125 ALA C C 125 179.200 179.200 179.568 -0.368 17577 11113 1 13 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.763 0.837 17577 11114 1 13 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.133 1.067 17577 11115 1 13 . 1 1 125 125 ALA H H 125 7.510 7.510 8.307 -0.797 17577 11116 1 13 . 1 1 126 126 THR N N 126 113.200 113.200 114.344 -1.144 17577 11117 1 13 . 1 1 126 126 THR HA H 126 4.150 4.150 4.069 0.081 17577 11118 1 13 . 1 1 126 126 THR C C 126 176.100 176.100 176.197 -0.097 17577 11119 1 13 . 1 1 126 126 THR CA C 126 68.900 68.900 66.618 2.283 17577 11120 1 13 . 1 1 126 126 THR CB C 126 67.700 67.700 68.580 -0.880 17577 11121 1 13 . 1 1 126 126 THR H H 126 7.820 7.820 7.646 0.174 17577 11122 1 13 . 1 1 127 127 ALA N N 127 123.100 123.100 124.470 -1.370 17577 11123 1 13 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.079 0.001 17577 11124 1 13 . 1 1 127 127 ALA C C 127 181.100 181.100 178.730 2.370 17577 11125 1 13 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.963 1.237 17577 11126 1 13 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.447 0.253 17577 11127 1 13 . 1 1 127 127 ALA H H 127 7.900 7.900 7.558 0.342 17577 11128 1 13 . 1 1 128 128 ILE N N 128 120.900 120.900 119.919 0.981 17577 11129 1 13 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.775 -0.035 17577 11130 1 13 . 1 1 128 128 ILE C C 128 177.300 177.300 177.048 0.252 17577 11131 1 13 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.499 2.101 17577 11132 1 13 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.892 2.509 17577 11133 1 13 . 1 1 128 128 ILE H H 128 7.640 7.640 8.193 -0.553 17577 11134 1 13 . 1 1 129 129 PHE N N 129 120.300 120.300 119.905 0.395 17577 11135 1 13 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.038 -0.028 17577 11136 1 13 . 1 1 129 129 PHE C C 129 176.100 176.100 176.972 -0.872 17577 11137 1 13 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.739 1.561 17577 11138 1 13 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.595 2.305 17577 11139 1 13 . 1 1 129 129 PHE H H 129 8.250 8.250 7.663 0.587 17577 11140 1 13 . 1 1 130 130 ARG N N 130 116.300 116.300 118.401 -2.101 17577 11141 1 13 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.594 -0.034 17577 11142 1 13 . 1 1 130 130 ARG C C 130 179.400 179.400 178.193 1.207 17577 11143 1 13 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.402 1.698 17577 11144 1 13 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.065 0.535 17577 11145 1 13 . 1 1 130 130 ARG H H 130 8.650 8.650 7.481 1.169 17577 11146 1 13 . 1 1 131 131 LYS N N 131 122.200 122.200 120.691 1.509 17577 11147 1 13 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.873 0.157 17577 11148 1 13 . 1 1 131 131 LYS C C 131 179.300 179.300 179.074 0.226 17577 11149 1 13 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.677 0.823 17577 11150 1 13 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.155 1.045 17577 11151 1 13 . 1 1 131 131 LYS H H 131 8.020 8.020 7.874 0.146 17577 11152 1 13 . 1 1 132 132 LEU N N 132 120.300 120.300 118.578 1.722 17577 11153 1 13 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.994 -0.064 17577 11154 1 13 . 1 1 132 132 LEU C C 132 179.600 179.600 179.104 0.496 17577 11155 1 13 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.312 1.288 17577 11156 1 13 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.577 0.923 17577 11157 1 13 . 1 1 132 132 LEU H H 132 8.450 8.450 7.511 0.939 17577 11158 1 13 . 1 1 133 133 ALA N N 133 122.400 122.400 120.394 2.006 17577 11159 1 13 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.662 0.308 17577 11160 1 13 . 1 1 133 133 ALA C C 133 180.400 180.400 179.289 1.111 17577 11161 1 13 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.452 1.548 17577 11162 1 13 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.054 -0.154 17577 11163 1 13 . 1 1 133 133 ALA H H 133 8.750 8.750 7.453 1.297 17577 11164 1 13 . 1 1 134 134 GLY N N 134 107.400 107.400 105.472 1.928 17577 11165 1 13 . 1 1 134 134 GLY C C 134 178.200 178.200 176.261 1.939 17577 11166 1 13 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.608 1.492 17577 11167 1 13 . 1 1 134 134 GLY H H 134 8.130 8.130 8.276 -0.146 17577 11168 1 13 . 1 1 135 135 GLU N N 135 121.900 121.900 121.205 0.695 17577 11169 1 13 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.132 -0.082 17577 11170 1 13 . 1 1 135 135 GLU C C 135 177.400 177.400 177.549 -0.149 17577 11171 1 13 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.975 1.325 17577 11172 1 13 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.587 0.813 17577 11173 1 13 . 1 1 135 135 GLU H H 135 7.730 7.730 7.565 0.165 17577 11174 1 13 . 1 1 136 136 ARG N N 136 118.000 118.000 116.445 1.555 17577 11175 1 13 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.475 -0.325 17577 11176 1 13 . 1 1 136 136 ARG C C 136 173.500 173.500 175.072 -1.572 17577 11177 1 13 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.315 0.485 17577 11178 1 13 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.337 -1.437 17577 11179 1 13 . 1 1 136 136 ARG H H 136 7.130 7.130 7.261 -0.131 17577 11180 1 13 . 1 1 137 137 ASN N N 137 109.600 109.600 115.301 -5.701 17577 11181 1 13 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.403 -0.253 17577 11182 1 13 . 1 1 137 137 ASN C C 137 174.200 174.200 174.968 -0.768 17577 11183 1 13 . 1 1 137 137 ASN CA C 137 56.000 56.000 53.960 2.040 17577 11184 1 13 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.945 0.255 17577 11185 1 13 . 1 1 137 137 ASN H H 137 7.560 7.560 8.233 -0.673 17577 11186 1 13 . 1 1 138 138 TYR N N 138 118.600 118.600 117.057 1.543 17577 11187 1 13 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.690 0.600 17577 11188 1 13 . 1 1 138 138 TYR C C 138 175.900 175.900 175.108 0.792 17577 11189 1 13 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.732 0.968 17577 11190 1 13 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.152 -1.552 17577 11191 1 13 . 1 1 138 138 TYR H H 138 8.020 8.020 8.026 -0.006 17577 11192 1 13 . 1 1 139 139 THR N N 139 115.000 115.000 110.504 4.496 17577 11193 1 13 . 1 1 139 139 THR HA H 139 4.420 4.420 4.136 0.284 17577 11194 1 13 . 1 1 139 139 THR C C 139 175.500 175.500 175.024 0.476 17577 11195 1 13 . 1 1 139 139 THR CA C 139 61.400 61.400 59.133 2.267 17577 11196 1 13 . 1 1 139 139 THR CB C 139 71.400 71.400 72.654 -1.254 17577 11197 1 13 . 1 1 139 139 THR H H 139 7.740 7.740 7.780 -0.040 17577 11198 1 13 . 1 1 140 140 ASP N N 140 117.900 117.900 122.909 -5.009 17577 11199 1 13 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.064 0.196 17577 11200 1 13 . 1 1 140 140 ASP C C 140 178.400 178.400 178.194 0.206 17577 11201 1 13 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.569 1.431 17577 11202 1 13 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.731 1.069 17577 11203 1 13 . 1 1 140 140 ASP H H 140 8.630 8.630 8.663 -0.033 17577 11204 1 13 . 1 1 141 141 GLU N N 141 116.800 116.800 117.351 -0.551 17577 11205 1 13 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.048 0.222 17577 11206 1 13 . 1 1 141 141 GLU C C 141 176.200 176.200 177.706 -1.506 17577 11207 1 13 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.385 0.715 17577 11208 1 13 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.201 0.899 17577 11209 1 13 . 1 1 141 141 GLU H H 141 8.500 8.500 8.619 -0.119 17577 11210 1 13 . 1 1 142 142 MET N N 142 117.400 117.400 116.868 0.532 17577 11211 1 13 . 1 1 142 142 MET HA H 142 4.490 4.490 4.370 0.120 17577 11212 1 13 . 1 1 142 142 MET C C 142 172.900 172.900 175.063 -2.163 17577 11213 1 13 . 1 1 142 142 MET CA C 142 57.100 57.100 57.081 0.019 17577 11214 1 13 . 1 1 142 142 MET CB C 142 33.400 33.400 34.181 -0.781 17577 11215 1 13 . 1 1 142 142 MET H H 142 7.960 7.960 7.715 0.245 17577 11216 1 13 . 1 1 143 143 VAL N N 143 116.800 116.800 117.900 -1.100 17577 11217 1 13 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.979 -0.189 17577 11218 1 13 . 1 1 143 143 VAL C C 143 175.600 175.600 174.187 1.413 17577 11219 1 13 . 1 1 143 143 VAL CA C 143 62.200 62.200 60.252 1.948 17577 11220 1 13 . 1 1 143 143 VAL CB C 143 34.500 34.500 35.084 -0.584 17577 11221 1 13 . 1 1 143 143 VAL H H 143 7.120 7.120 7.400 -0.280 17577 11222 1 13 . 1 1 144 144 ALA N N 144 131.000 131.000 131.872 -0.872 17577 11223 1 13 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.872 -0.062 17577 11224 1 13 . 1 1 144 144 ALA C C 144 175.800 175.800 176.103 -0.303 17577 11225 1 13 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.485 1.015 17577 11226 1 13 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.891 0.709 17577 11227 1 13 . 1 1 144 144 ALA H H 144 9.600 9.600 9.062 0.538 17577 11228 1 13 . 1 1 145 145 MET N N 145 122.400 122.400 122.032 0.368 17577 11229 1 13 . 1 1 145 145 MET HA H 145 4.890 4.890 4.525 0.365 17577 11230 1 13 . 1 1 145 145 MET C C 145 176.900 176.900 175.900 1.000 17577 11231 1 13 . 1 1 145 145 MET CA C 145 54.000 54.000 54.562 -0.562 17577 11232 1 13 . 1 1 145 145 MET CB C 145 30.100 30.100 33.298 -3.198 17577 11233 1 13 . 1 1 145 145 MET H H 145 8.630 8.630 8.685 -0.055 17577 11234 1 13 . 1 1 146 146 LEU N N 146 125.400 125.400 123.727 1.673 17577 11235 1 13 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.811 -0.271 17577 11236 1 13 . 1 1 146 146 LEU C C 146 174.500 174.500 174.812 -0.312 17577 11237 1 13 . 1 1 146 146 LEU CA C 146 53.900 53.900 52.137 1.763 17577 11238 1 13 . 1 1 146 146 LEU CB C 146 42.800 42.800 42.437 0.363 17577 11239 1 13 . 1 1 146 146 LEU H H 146 7.880 7.880 8.173 -0.293 17577 11240 1 13 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.714 -0.134 17577 11241 1 13 . 1 1 147 147 PRO C C 147 176.200 176.200 177.023 -0.823 17577 11242 1 13 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.151 1.149 17577 11243 1 13 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.053 0.547 17577 11244 1 13 . 1 1 148 148 ARG N N 148 120.700 120.700 116.851 3.849 17577 11245 1 13 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.033 0.237 17577 11246 1 13 . 1 1 148 148 ARG C C 148 175.500 175.500 175.985 -0.485 17577 11247 1 13 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.839 0.461 17577 11248 1 13 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.819 2.581 17577 11249 1 13 . 1 1 148 148 ARG H H 148 8.540 8.540 8.539 0.001 17577 11250 1 13 . 1 1 149 149 GLN N N 149 115.000 115.000 120.239 -5.239 17577 11251 1 13 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.198 0.522 17577 11252 1 13 . 1 1 149 149 GLN C C 149 174.300 174.300 175.247 -0.947 17577 11253 1 13 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.841 -0.941 17577 11254 1 13 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.670 1.030 17577 11255 1 13 . 1 1 149 149 GLN H H 149 7.770 7.770 8.243 -0.473 17577 11256 1 13 . 1 1 150 150 GLU N N 150 117.800 117.800 121.377 -3.577 17577 11257 1 13 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.631 -0.161 17577 11258 1 13 . 1 1 150 150 GLU C C 150 175.800 175.800 175.202 0.598 17577 11259 1 13 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.782 1.518 17577 11260 1 13 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.373 0.027 17577 11261 1 13 . 1 1 150 150 GLU H H 150 8.570 8.570 8.501 0.069 17577 11262 1 13 . 1 1 151 151 GLU N N 151 119.200 119.200 121.348 -2.148 17577 11263 1 13 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.465 -0.205 17577 11264 1 13 . 1 1 151 151 GLU C C 151 176.000 176.000 176.241 -0.241 17577 11265 1 13 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.493 3.006 17577 11266 1 13 . 1 1 151 151 GLU CB C 151 32.200 32.200 29.646 2.554 17577 11267 1 13 . 1 1 151 151 GLU H H 151 8.000 8.000 8.722 -0.722 17577 11268 1 13 . 1 1 152 152 CYS N N 152 122.100 122.100 119.875 2.225 17577 11269 1 13 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.525 0.615 17577 11270 1 13 . 1 1 152 152 CYS C C 152 172.800 172.800 173.647 -0.847 17577 11271 1 13 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.613 -4.613 17577 11272 1 13 . 1 1 152 152 CYS CB C 152 34.900 34.900 27.682 7.218 17577 11273 1 13 . 1 1 152 152 CYS H H 152 9.620 9.620 8.230 1.390 17577 11274 1 13 . 1 1 153 153 THR N N 153 118.000 118.000 112.916 5.084 17577 11275 1 13 . 1 1 153 153 THR HA H 153 4.860 4.860 4.599 0.261 17577 11276 1 13 . 1 1 153 153 THR C C 153 173.000 173.000 173.902 -0.902 17577 11277 1 13 . 1 1 153 153 THR CA C 153 59.800 59.800 60.692 -0.892 17577 11278 1 13 . 1 1 153 153 THR CB C 153 72.500 72.500 70.559 1.941 17577 11279 1 13 . 1 1 153 153 THR H H 153 8.490 8.490 8.113 0.377 17577 11280 1 13 . 1 1 154 154 VAL N N 154 114.900 114.900 118.607 -3.707 17577 11281 1 13 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.179 -0.059 17577 11282 1 13 . 1 1 154 154 VAL C C 154 175.500 175.500 175.389 0.111 17577 11283 1 13 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.594 0.406 17577 11284 1 13 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.501 0.599 17577 11285 1 13 . 1 1 154 154 VAL H H 154 6.920 6.920 7.991 -1.071 17577 11286 1 13 . 1 1 155 155 ASP N N 155 124.100 124.100 121.633 2.467 17577 11287 1 13 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.699 -0.209 17577 11288 1 13 . 1 1 155 155 ASP C C 155 175.800 175.800 176.646 -0.846 17577 11289 1 13 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.941 1.759 17577 11290 1 13 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.487 0.812 17577 11291 1 13 . 1 1 155 155 ASP H H 155 8.390 8.390 8.280 0.110 17577 11292 1 13 . 1 1 156 156 GLU N N 156 121.000 121.000 121.360 -0.360 17577 11293 1 13 . 1 1 156 156 GLU HA H 156 4.170 4.170 3.977 0.193 17577 11294 1 13 . 1 1 156 156 GLU C C 156 175.400 175.400 177.608 -2.208 17577 11295 1 13 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.461 0.039 17577 11296 1 13 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.785 1.615 17577 11297 1 13 . 1 1 156 156 GLU H H 156 8.450 8.450 8.668 -0.218 17577 11298 1 14 . 1 1 4 4 PRO C C 4 175.800 175.800 175.136 0.664 17577 11299 1 14 . 1 1 4 4 PRO CA C 4 64.300 64.300 62.871 1.429 17577 11300 1 14 . 1 1 4 4 PRO CB C 4 33.000 33.000 33.493 -0.493 17577 11301 1 14 . 1 1 5 5 ASP N N 5 119.400 119.400 115.548 3.852 17577 11302 1 14 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.489 0.021 17577 11303 1 14 . 1 1 5 5 ASP C C 5 177.100 177.100 177.295 -0.195 17577 11304 1 14 . 1 1 5 5 ASP CA C 5 54.800 54.800 54.595 0.205 17577 11305 1 14 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.472 1.928 17577 11306 1 14 . 1 1 5 5 ASP H H 5 8.090 8.090 8.036 0.054 17577 11307 1 14 . 1 1 6 6 ARG N N 6 124.800 124.800 120.637 4.163 17577 11308 1 14 . 1 1 6 6 ARG C C 6 177.300 177.300 177.911 -0.611 17577 11309 1 14 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.612 0.388 17577 11310 1 14 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.844 0.656 17577 11311 1 14 . 1 1 6 6 ARG H H 6 8.590 8.590 8.123 0.467 17577 11312 1 14 . 1 1 7 7 SER N N 7 113.800 113.800 113.211 0.589 17577 11313 1 14 . 1 1 7 7 SER CA C 7 62.400 62.400 61.050 1.350 17577 11314 1 14 . 1 1 7 7 SER CB C 7 63.800 63.800 62.486 1.314 17577 11315 1 14 . 1 1 7 7 SER H H 7 8.240 8.240 8.590 -0.350 17577 11316 1 14 . 1 1 8 8 GLU N N 8 120.200 120.200 119.729 0.471 17577 11317 1 14 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.094 0.236 17577 11318 1 14 . 1 1 8 8 GLU C C 8 177.100 177.100 177.712 -0.612 17577 11319 1 14 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.710 -0.010 17577 11320 1 14 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.712 1.188 17577 11321 1 14 . 1 1 8 8 GLU H H 8 8.030 8.030 7.622 0.408 17577 11322 1 14 . 1 1 9 9 ILE N N 9 112.800 112.800 118.296 -5.496 17577 11323 1 14 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.970 0.380 17577 11324 1 14 . 1 1 9 9 ILE C C 9 175.000 175.000 174.971 0.029 17577 11325 1 14 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.757 1.643 17577 11326 1 14 . 1 1 9 9 ILE CB C 9 40.000 40.000 38.895 1.105 17577 11327 1 14 . 1 1 9 9 ILE H H 9 7.530 7.530 7.606 -0.076 17577 11328 1 14 . 1 1 10 10 ALA N N 10 120.400 120.400 121.761 -1.361 17577 11329 1 14 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.557 -0.487 17577 11330 1 14 . 1 1 10 10 ALA C C 10 177.500 177.500 177.504 -0.004 17577 11331 1 14 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.349 -0.349 17577 11332 1 14 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.005 1.395 17577 11333 1 14 . 1 1 10 10 ALA H H 10 7.410 7.410 8.470 -1.060 17577 11334 1 14 . 1 1 11 11 GLY N N 11 108.300 108.300 111.149 -2.849 17577 11335 1 14 . 1 1 11 11 GLY C C 11 173.700 173.700 173.689 0.011 17577 11336 1 14 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.091 0.209 17577 11337 1 14 . 1 1 11 11 GLY H H 11 8.780 8.780 8.485 0.295 17577 11338 1 14 . 1 1 12 12 LYS N N 12 122.300 122.300 121.848 0.452 17577 11339 1 14 . 1 1 12 12 LYS HA H 12 4.830 4.830 5.015 -0.185 17577 11340 1 14 . 1 1 12 12 LYS C C 12 175.900 175.900 174.842 1.058 17577 11341 1 14 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.322 1.978 17577 11342 1 14 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.813 0.187 17577 11343 1 14 . 1 1 12 12 LYS H H 12 8.740 8.740 8.087 0.653 17577 11344 1 14 . 1 1 13 13 TRP N N 13 126.000 126.000 127.020 -1.020 17577 11345 1 14 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.959 -0.329 17577 11346 1 14 . 1 1 13 13 TRP C C 13 173.300 173.300 174.586 -1.286 17577 11347 1 14 . 1 1 13 13 TRP CA C 13 57.700 57.700 55.948 1.752 17577 11348 1 14 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.158 4.242 17577 11349 1 14 . 1 1 13 13 TRP H H 13 9.440 9.440 9.735 -0.295 17577 11350 1 14 . 1 1 14 14 TYR N N 14 118.300 118.300 123.326 -5.026 17577 11351 1 14 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.882 0.168 17577 11352 1 14 . 1 1 14 14 TYR C C 14 175.400 175.400 174.669 0.731 17577 11353 1 14 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.532 1.268 17577 11354 1 14 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.338 1.162 17577 11355 1 14 . 1 1 14 14 TYR H H 14 9.370 9.370 8.803 0.567 17577 11356 1 14 . 1 1 15 15 VAL N N 15 124.200 124.200 124.907 -0.707 17577 11357 1 14 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.650 0.390 17577 11358 1 14 . 1 1 15 15 VAL C C 15 175.500 175.500 175.015 0.485 17577 11359 1 14 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.758 0.942 17577 11360 1 14 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.727 -0.327 17577 11361 1 14 . 1 1 15 15 VAL H H 15 9.000 9.000 8.748 0.252 17577 11362 1 14 . 1 1 16 16 VAL N N 16 114.600 114.600 122.596 -7.996 17577 11363 1 14 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.433 0.217 17577 11364 1 14 . 1 1 16 16 VAL C C 16 175.900 175.900 173.997 1.903 17577 11365 1 14 . 1 1 16 16 VAL CA C 16 62.200 62.200 61.342 0.858 17577 11366 1 14 . 1 1 16 16 VAL CB C 16 33.600 33.600 34.334 -0.734 17577 11367 1 14 . 1 1 16 16 VAL H H 16 8.420 8.420 8.427 -0.007 17577 11368 1 14 . 1 1 17 17 ALA N N 17 122.900 122.900 121.316 1.584 17577 11369 1 14 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.253 0.017 17577 11370 1 14 . 1 1 17 17 ALA C C 17 174.200 174.200 175.555 -1.355 17577 11371 1 14 . 1 1 17 17 ALA CA C 17 53.100 53.100 49.543 3.557 17577 11372 1 14 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.957 2.143 17577 11373 1 14 . 1 1 17 17 ALA H H 17 7.590 7.590 7.169 0.421 17577 11374 1 14 . 1 1 18 18 LEU N N 18 118.000 118.000 120.212 -2.212 17577 11375 1 14 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.362 0.078 17577 11376 1 14 . 1 1 18 18 LEU C C 18 176.100 176.100 174.269 1.831 17577 11377 1 14 . 1 1 18 18 LEU CA C 18 54.000 54.000 54.676 -0.676 17577 11378 1 14 . 1 1 18 18 LEU CB C 18 49.800 49.800 47.264 2.536 17577 11379 1 14 . 1 1 18 18 LEU H H 18 8.570 8.570 8.059 0.511 17577 11380 1 14 . 1 1 19 19 ALA N N 19 120.300 120.300 124.178 -3.878 17577 11381 1 14 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.698 -0.268 17577 11382 1 14 . 1 1 19 19 ALA C C 19 174.400 174.400 175.631 -1.231 17577 11383 1 14 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.882 1.818 17577 11384 1 14 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.518 0.582 17577 11385 1 14 . 1 1 19 19 ALA H H 19 8.360 8.360 8.700 -0.340 17577 11386 1 14 . 1 1 20 20 SER N N 20 114.200 114.200 115.947 -1.747 17577 11387 1 14 . 1 1 20 20 SER HA H 20 3.890 3.890 4.916 -1.026 17577 11388 1 14 . 1 1 20 20 SER C C 20 170.700 170.700 172.594 -1.894 17577 11389 1 14 . 1 1 20 20 SER CA C 20 57.200 57.200 57.097 0.103 17577 11390 1 14 . 1 1 20 20 SER CB C 20 64.200 64.200 64.749 -0.549 17577 11391 1 14 . 1 1 20 20 SER H H 20 7.450 7.450 8.394 -0.944 17577 11392 1 14 . 1 1 21 21 ASN N N 21 117.500 117.500 117.995 -0.495 17577 11393 1 14 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.939 0.281 17577 11394 1 14 . 1 1 21 21 ASN C C 21 176.500 176.500 175.293 1.207 17577 11395 1 14 . 1 1 21 21 ASN CA C 21 52.500 52.500 52.508 -0.008 17577 11396 1 14 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.284 0.016 17577 11397 1 14 . 1 1 21 21 ASN H H 21 7.980 7.980 8.561 -0.581 17577 11398 1 14 . 1 1 22 22 THR N N 22 112.100 112.100 119.226 -7.126 17577 11399 1 14 . 1 1 22 22 THR HA H 22 4.420 4.420 4.438 -0.018 17577 11400 1 14 . 1 1 22 22 THR C C 22 174.800 174.800 175.165 -0.365 17577 11401 1 14 . 1 1 22 22 THR CA C 22 63.200 63.200 62.917 0.283 17577 11402 1 14 . 1 1 22 22 THR CB C 22 71.800 71.800 68.792 3.008 17577 11403 1 14 . 1 1 22 22 THR H H 22 8.140 8.140 7.669 0.471 17577 11404 1 14 . 1 1 23 23 GLU N N 23 122.700 122.700 126.588 -3.888 17577 11405 1 14 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.851 0.899 17577 11406 1 14 . 1 1 23 23 GLU C C 23 178.800 178.800 177.516 1.284 17577 11407 1 14 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.748 1.552 17577 11408 1 14 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.371 0.929 17577 11409 1 14 . 1 1 23 23 GLU H H 23 8.980 8.980 8.291 0.689 17577 11410 1 14 . 1 1 24 24 PHE N N 24 118.200 118.200 119.341 -1.141 17577 11411 1 14 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.203 -0.223 17577 11412 1 14 . 1 1 24 24 PHE C C 24 175.900 175.900 176.538 -0.638 17577 11413 1 14 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.620 2.280 17577 11414 1 14 . 1 1 24 24 PHE CB C 24 40.700 40.700 38.630 2.070 17577 11415 1 14 . 1 1 24 24 PHE H H 24 8.610 8.610 7.917 0.693 17577 11416 1 14 . 1 1 25 25 PHE N N 25 119.000 119.000 118.513 0.487 17577 11417 1 14 . 1 1 25 25 PHE HA H 25 3.840 3.840 3.518 0.322 17577 11418 1 14 . 1 1 25 25 PHE C C 25 176.500 176.500 177.467 -0.967 17577 11419 1 14 . 1 1 25 25 PHE CA C 25 62.800 62.800 62.109 0.691 17577 11420 1 14 . 1 1 25 25 PHE CB C 25 40.400 40.400 38.752 1.648 17577 11421 1 14 . 1 1 25 25 PHE H H 25 7.730 7.730 8.245 -0.515 17577 11422 1 14 . 1 1 26 26 LEU N N 26 115.900 115.900 116.855 -0.955 17577 11423 1 14 . 1 1 26 26 LEU HA H 26 3.730 3.730 3.997 -0.267 17577 11424 1 14 . 1 1 26 26 LEU C C 26 179.200 179.200 178.912 0.288 17577 11425 1 14 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.948 0.752 17577 11426 1 14 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.004 0.996 17577 11427 1 14 . 1 1 26 26 LEU H H 26 8.380 8.380 7.697 0.683 17577 11428 1 14 . 1 1 27 27 ARG N N 27 116.900 116.900 119.450 -2.550 17577 11429 1 14 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.006 0.104 17577 11430 1 14 . 1 1 27 27 ARG C C 27 178.400 178.400 177.804 0.596 17577 11431 1 14 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.979 0.221 17577 11432 1 14 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.343 1.758 17577 11433 1 14 . 1 1 27 27 ARG H H 27 7.720 7.720 7.806 -0.086 17577 11434 1 14 . 1 1 28 28 GLU N N 28 116.000 116.000 116.943 -0.943 17577 11435 1 14 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.205 0.155 17577 11436 1 14 . 1 1 28 28 GLU C C 28 178.200 178.200 179.107 -0.907 17577 11437 1 14 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.217 -1.516 17577 11438 1 14 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.639 1.261 17577 11439 1 14 . 1 1 28 28 GLU H H 28 7.660 7.660 7.864 -0.204 17577 11440 1 14 . 1 1 29 29 LYS N N 29 120.700 120.700 119.056 1.644 17577 11441 1 14 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.118 0.022 17577 11442 1 14 . 1 1 29 29 LYS C C 29 177.900 177.900 178.915 -1.015 17577 11443 1 14 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.477 1.423 17577 11444 1 14 . 1 1 29 29 LYS CB C 29 31.400 31.400 31.827 -0.427 17577 11445 1 14 . 1 1 29 29 LYS H H 29 7.910 7.910 8.538 -0.628 17577 11446 1 14 . 1 1 30 30 ASP N N 30 118.800 118.800 117.899 0.901 17577 11447 1 14 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.407 -0.017 17577 11448 1 14 . 1 1 30 30 ASP C C 30 177.000 177.000 176.848 0.152 17577 11449 1 14 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.321 0.879 17577 11450 1 14 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.446 0.154 17577 11451 1 14 . 1 1 30 30 ASP H H 30 8.390 8.390 7.810 0.580 17577 11452 1 14 . 1 1 31 31 LYS N N 31 118.000 118.000 117.134 0.866 17577 11453 1 14 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.318 0.072 17577 11454 1 14 . 1 1 31 31 LYS C C 31 177.200 177.200 176.252 0.948 17577 11455 1 14 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.641 0.359 17577 11456 1 14 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.391 0.809 17577 11457 1 14 . 1 1 31 31 LYS H H 31 8.110 8.110 7.776 0.334 17577 11458 1 14 . 1 1 32 32 MET N N 32 120.300 120.300 118.144 2.156 17577 11459 1 14 . 1 1 32 32 MET HA H 32 4.520 4.520 4.341 0.179 17577 11460 1 14 . 1 1 32 32 MET C C 32 176.200 176.200 175.392 0.808 17577 11461 1 14 . 1 1 32 32 MET CA C 32 58.000 58.000 56.508 1.492 17577 11462 1 14 . 1 1 32 32 MET CB C 32 33.500 33.500 33.827 -0.327 17577 11463 1 14 . 1 1 32 32 MET H H 32 7.240 7.240 7.550 -0.310 17577 11464 1 14 . 1 1 33 33 LYS N N 33 120.200 120.200 116.859 3.341 17577 11465 1 14 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.530 0.170 17577 11466 1 14 . 1 1 33 33 LYS C C 33 173.000 173.000 175.153 -2.153 17577 11467 1 14 . 1 1 33 33 LYS CA C 33 56.100 56.100 55.224 0.876 17577 11468 1 14 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.252 4.848 17577 11469 1 14 . 1 1 33 33 LYS H H 33 8.560 8.560 8.231 0.329 17577 11470 1 14 . 1 1 34 34 MET N N 34 118.300 118.300 120.937 -2.637 17577 11471 1 14 . 1 1 34 34 MET HA H 34 4.080 4.080 4.222 -0.142 17577 11472 1 14 . 1 1 34 34 MET C C 34 173.800 173.800 175.380 -1.580 17577 11473 1 14 . 1 1 34 34 MET CA C 34 59.500 59.500 56.286 3.214 17577 11474 1 14 . 1 1 34 34 MET CB C 34 35.700 35.700 33.234 2.466 17577 11475 1 14 . 1 1 34 34 MET H H 34 8.370 8.370 7.851 0.519 17577 11476 1 14 . 1 1 35 35 ALA N N 35 126.000 126.000 127.897 -1.897 17577 11477 1 14 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.045 0.215 17577 11478 1 14 . 1 1 35 35 ALA C C 35 176.100 176.100 175.729 0.371 17577 11479 1 14 . 1 1 35 35 ALA CA C 35 50.600 50.600 49.897 0.703 17577 11480 1 14 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.269 1.531 17577 11481 1 14 . 1 1 35 35 ALA H H 35 7.360 7.360 8.748 -1.388 17577 11482 1 14 . 1 1 36 36 MET N N 36 117.100 117.100 114.874 2.226 17577 11483 1 14 . 1 1 36 36 MET HA H 36 5.280 5.280 5.455 -0.175 17577 11484 1 14 . 1 1 36 36 MET C C 36 172.600 172.600 174.559 -1.959 17577 11485 1 14 . 1 1 36 36 MET CA C 36 56.100 56.100 52.478 3.622 17577 11486 1 14 . 1 1 36 36 MET CB C 36 39.600 39.600 36.438 3.162 17577 11487 1 14 . 1 1 36 36 MET H H 36 8.920 8.920 8.849 0.071 17577 11488 1 14 . 1 1 37 37 ALA N N 37 121.700 121.700 120.566 1.134 17577 11489 1 14 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.831 0.599 17577 11490 1 14 . 1 1 37 37 ALA C C 37 175.400 175.400 175.167 0.233 17577 11491 1 14 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.692 -0.492 17577 11492 1 14 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.648 1.752 17577 11493 1 14 . 1 1 37 37 ALA H H 37 8.980 8.980 9.170 -0.190 17577 11494 1 14 . 1 1 38 38 ARG N N 38 120.400 120.400 119.689 0.711 17577 11495 1 14 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.855 0.295 17577 11496 1 14 . 1 1 38 38 ARG C C 38 174.900 174.900 173.872 1.028 17577 11497 1 14 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.085 0.115 17577 11498 1 14 . 1 1 38 38 ARG CB C 38 34.600 34.600 34.080 0.520 17577 11499 1 14 . 1 1 38 38 ARG H H 38 9.180 9.180 7.925 1.255 17577 11500 1 14 . 1 1 39 39 ILE N N 39 126.000 126.000 124.598 1.402 17577 11501 1 14 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.919 0.001 17577 11502 1 14 . 1 1 39 39 ILE C C 39 175.100 175.100 174.236 0.864 17577 11503 1 14 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.548 1.652 17577 11504 1 14 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.774 0.626 17577 11505 1 14 . 1 1 39 39 ILE H H 39 8.930 8.930 8.516 0.414 17577 11506 1 14 . 1 1 40 40 SER N N 40 121.700 121.700 121.486 0.214 17577 11507 1 14 . 1 1 40 40 SER HA H 40 4.630 4.630 4.561 0.069 17577 11508 1 14 . 1 1 40 40 SER CA C 40 57.900 57.900 56.240 1.659 17577 11509 1 14 . 1 1 40 40 SER CB C 40 66.300 66.300 65.916 0.384 17577 11510 1 14 . 1 1 40 40 SER H H 40 8.780 8.780 8.453 0.327 17577 11511 1 14 . 1 1 41 41 PHE N N 41 122.300 122.300 122.670 -0.370 17577 11512 1 14 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.632 0.018 17577 11513 1 14 . 1 1 41 41 PHE C C 41 175.900 175.900 176.244 -0.344 17577 11514 1 14 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.770 2.330 17577 11515 1 14 . 1 1 41 41 PHE CB C 41 40.700 40.700 37.538 3.162 17577 11516 1 14 . 1 1 41 41 PHE H H 41 9.080 9.080 8.726 0.354 17577 11517 1 14 . 1 1 42 42 LEU N N 42 125.100 125.100 124.234 0.866 17577 11518 1 14 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.123 0.507 17577 11519 1 14 . 1 1 42 42 LEU C C 42 176.400 176.400 177.757 -1.357 17577 11520 1 14 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.306 -0.806 17577 11521 1 14 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.334 1.466 17577 11522 1 14 . 1 1 42 42 LEU H H 42 8.540 8.540 7.980 0.560 17577 11523 1 14 . 1 1 43 43 GLY N N 43 108.700 108.700 103.189 5.511 17577 11524 1 14 . 1 1 43 43 GLY C C 43 173.700 173.700 174.326 -0.626 17577 11525 1 14 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.039 0.861 17577 11526 1 14 . 1 1 43 43 GLY H H 43 8.310 8.310 7.920 0.390 17577 11527 1 14 . 1 1 44 44 GLU N N 44 120.300 120.300 119.454 0.846 17577 11528 1 14 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.251 -0.141 17577 11529 1 14 . 1 1 44 44 GLU C C 44 177.200 177.200 176.505 0.695 17577 11530 1 14 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.604 0.996 17577 11531 1 14 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.654 1.146 17577 11532 1 14 . 1 1 44 44 GLU H H 44 8.900 8.900 8.727 0.173 17577 11533 1 14 . 1 1 45 45 ASP N N 45 115.200 115.200 114.516 0.684 17577 11534 1 14 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.811 0.059 17577 11535 1 14 . 1 1 45 45 ASP C C 45 174.500 174.500 174.685 -0.185 17577 11536 1 14 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.562 1.238 17577 11537 1 14 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.755 1.945 17577 11538 1 14 . 1 1 45 45 ASP H H 45 8.500 8.500 8.377 0.123 17577 11539 1 14 . 1 1 46 46 GLU N N 46 117.800 117.800 118.714 -0.914 17577 11540 1 14 . 1 1 46 46 GLU HA H 46 5.570 5.570 5.007 0.563 17577 11541 1 14 . 1 1 46 46 GLU C C 46 174.800 174.800 174.435 0.365 17577 11542 1 14 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.437 0.863 17577 11543 1 14 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.571 1.429 17577 11544 1 14 . 1 1 46 46 GLU H H 46 7.450 7.450 7.501 -0.051 17577 11545 1 14 . 1 1 47 47 LEU N N 47 124.200 124.200 122.270 1.930 17577 11546 1 14 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.232 -0.352 17577 11547 1 14 . 1 1 47 47 LEU C C 47 173.900 173.900 174.827 -0.927 17577 11548 1 14 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.066 2.235 17577 11549 1 14 . 1 1 47 47 LEU CB C 47 46.100 46.100 46.276 -0.177 17577 11550 1 14 . 1 1 47 47 LEU H H 47 9.160 9.160 8.747 0.413 17577 11551 1 14 . 1 1 48 48 LYS N N 48 123.800 123.800 122.474 1.326 17577 11552 1 14 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.768 0.182 17577 11553 1 14 . 1 1 48 48 LYS C C 48 174.300 174.300 174.647 -0.347 17577 11554 1 14 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.414 0.585 17577 11555 1 14 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.701 1.099 17577 11556 1 14 . 1 1 48 48 LYS H H 48 9.020 9.020 8.578 0.442 17577 11557 1 14 . 1 1 49 49 VAL N N 49 126.600 126.600 126.653 -0.053 17577 11558 1 14 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.876 -0.266 17577 11559 1 14 . 1 1 49 49 VAL C C 49 173.800 173.800 174.126 -0.326 17577 11560 1 14 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.975 1.325 17577 11561 1 14 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.652 -0.352 17577 11562 1 14 . 1 1 49 49 VAL H H 49 8.920 8.920 9.173 -0.253 17577 11563 1 14 . 1 1 50 50 SER N N 50 120.900 120.900 119.418 1.482 17577 11564 1 14 . 1 1 50 50 SER HA H 50 4.860 4.860 4.882 -0.022 17577 11565 1 14 . 1 1 50 50 SER CA C 50 57.300 57.300 56.025 1.275 17577 11566 1 14 . 1 1 50 50 SER CB C 50 65.100 65.100 65.024 0.076 17577 11567 1 14 . 1 1 50 50 SER H H 50 8.360 8.360 8.442 -0.082 17577 11568 1 14 . 1 1 51 51 TYR N N 51 122.000 122.000 123.158 -1.158 17577 11569 1 14 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.789 0.061 17577 11570 1 14 . 1 1 51 51 TYR C C 51 176.800 176.800 173.386 3.414 17577 11571 1 14 . 1 1 51 51 TYR CA C 51 58.200 58.200 55.998 2.202 17577 11572 1 14 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.676 1.924 17577 11573 1 14 . 1 1 51 51 TYR H H 51 8.990 8.990 8.421 0.569 17577 11574 1 14 . 1 1 52 52 ALA N N 52 124.000 124.000 125.258 -1.258 17577 11575 1 14 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.623 0.247 17577 11576 1 14 . 1 1 52 52 ALA C C 52 174.800 174.800 175.019 -0.219 17577 11577 1 14 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.605 2.395 17577 11578 1 14 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.428 0.372 17577 11579 1 14 . 1 1 52 52 ALA H H 52 8.640 8.640 9.214 -0.574 17577 11580 1 14 . 1 1 53 53 VAL N N 53 124.300 124.300 124.709 -0.409 17577 11581 1 14 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.549 0.221 17577 11582 1 14 . 1 1 53 53 VAL C C 53 174.200 174.200 173.904 0.296 17577 11583 1 14 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.327 0.973 17577 11584 1 14 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.695 1.805 17577 11585 1 14 . 1 1 53 53 VAL H H 53 9.120 9.120 7.843 1.277 17577 11586 1 14 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.553 0.147 17577 11587 1 14 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.282 2.418 17577 11588 1 14 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.464 0.436 17577 11589 1 14 . 1 1 55 55 LYS N N 55 121.100 121.100 121.737 -0.637 17577 11590 1 14 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.766 0.164 17577 11591 1 14 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.092 0.508 17577 11592 1 14 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.855 -0.455 17577 11593 1 14 . 1 1 55 55 LYS H H 55 8.040 8.040 8.375 -0.335 17577 11594 1 14 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.272 0.008 17577 11595 1 14 . 1 1 56 56 PRO C C 56 177.200 177.200 176.581 0.619 17577 11596 1 14 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.802 1.598 17577 11597 1 14 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.771 0.529 17577 11598 1 14 . 1 1 57 57 ASN N N 57 114.200 114.200 112.954 1.246 17577 11599 1 14 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.747 -0.027 17577 11600 1 14 . 1 1 57 57 ASN C C 57 174.900 174.900 175.299 -0.399 17577 11601 1 14 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.084 0.916 17577 11602 1 14 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.214 0.086 17577 11603 1 14 . 1 1 57 57 ASN H H 57 8.370 8.370 8.245 0.124 17577 11604 1 14 . 1 1 58 58 GLY N N 58 106.500 106.500 107.994 -1.494 17577 11605 1 14 . 1 1 58 58 GLY C C 58 172.000 172.000 173.046 -1.046 17577 11606 1 14 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.161 1.839 17577 11607 1 14 . 1 1 58 58 GLY H H 58 7.810 7.810 8.076 -0.266 17577 11608 1 14 . 1 1 60 60 ARG N N 60 132.300 132.300 123.446 8.854 17577 11609 1 14 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.694 -0.114 17577 11610 1 14 . 1 1 60 60 ARG C C 60 174.000 174.000 174.135 -0.135 17577 11611 1 14 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.283 1.217 17577 11612 1 14 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.564 -0.164 17577 11613 1 14 . 1 1 60 60 ARG H H 60 9.120 9.120 8.312 0.808 17577 11614 1 14 . 1 1 61 61 LYS N N 61 126.200 126.200 126.844 -0.644 17577 11615 1 14 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.960 0.560 17577 11616 1 14 . 1 1 61 61 LYS C C 61 175.900 175.900 175.031 0.869 17577 11617 1 14 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.047 1.053 17577 11618 1 14 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.173 0.927 17577 11619 1 14 . 1 1 61 61 LYS H H 61 8.500 8.500 8.481 0.019 17577 11620 1 14 . 1 1 62 62 TRP N N 62 121.900 121.900 125.422 -3.522 17577 11621 1 14 . 1 1 62 62 TRP HA H 62 4.860 4.860 5.002 -0.142 17577 11622 1 14 . 1 1 62 62 TRP C C 62 171.900 171.900 174.000 -2.100 17577 11623 1 14 . 1 1 62 62 TRP CA C 62 57.700 57.700 55.958 1.742 17577 11624 1 14 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.992 0.308 17577 11625 1 14 . 1 1 62 62 TRP H H 62 8.070 8.070 7.968 0.102 17577 11626 1 14 . 1 1 63 63 GLU N N 63 117.100 117.100 121.346 -4.246 17577 11627 1 14 . 1 1 63 63 GLU HA H 63 5.610 5.610 5.001 0.609 17577 11628 1 14 . 1 1 63 63 GLU C C 63 175.500 175.500 175.643 -0.143 17577 11629 1 14 . 1 1 63 63 GLU CA C 63 55.200 55.200 55.228 -0.028 17577 11630 1 14 . 1 1 63 63 GLU CB C 63 35.100 35.100 33.436 1.664 17577 11631 1 14 . 1 1 63 63 GLU H H 63 8.450 8.450 8.541 -0.091 17577 11632 1 14 . 1 1 64 64 THR N N 64 117.400 117.400 121.176 -3.776 17577 11633 1 14 . 1 1 64 64 THR HA H 64 4.600 4.600 4.921 -0.321 17577 11634 1 14 . 1 1 64 64 THR C C 64 171.800 171.800 173.346 -1.546 17577 11635 1 14 . 1 1 64 64 THR CA C 64 63.000 63.000 61.903 1.097 17577 11636 1 14 . 1 1 64 64 THR CB C 64 72.700 72.700 72.875 -0.175 17577 11637 1 14 . 1 1 64 64 THR H H 64 8.980 8.980 9.443 -0.463 17577 11638 1 14 . 1 1 65 65 THR N N 65 119.100 119.100 120.664 -1.564 17577 11639 1 14 . 1 1 65 65 THR HA H 65 5.260 5.260 5.025 0.235 17577 11640 1 14 . 1 1 65 65 THR C C 65 173.700 173.700 173.101 0.599 17577 11641 1 14 . 1 1 65 65 THR CA C 65 62.300 62.300 61.967 0.333 17577 11642 1 14 . 1 1 65 65 THR CB C 65 71.100 71.100 70.525 0.575 17577 11643 1 14 . 1 1 65 65 THR H H 65 8.380 8.380 8.691 -0.311 17577 11644 1 14 . 1 1 66 66 PHE N N 66 123.400 123.400 125.200 -1.800 17577 11645 1 14 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.897 -0.067 17577 11646 1 14 . 1 1 66 66 PHE C C 66 174.200 174.200 172.863 1.337 17577 11647 1 14 . 1 1 66 66 PHE CA C 66 58.100 58.100 55.643 2.457 17577 11648 1 14 . 1 1 66 66 PHE CB C 66 45.600 45.600 41.563 4.037 17577 11649 1 14 . 1 1 66 66 PHE H H 66 9.590 9.590 9.257 0.333 17577 11650 1 14 . 1 1 67 67 LYS N N 67 119.700 119.700 125.925 -6.225 17577 11651 1 14 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.673 0.847 17577 11652 1 14 . 1 1 67 67 LYS C C 67 176.500 176.500 176.018 0.482 17577 11653 1 14 . 1 1 67 67 LYS CA C 67 55.500 55.500 53.226 2.274 17577 11654 1 14 . 1 1 67 67 LYS CB C 67 37.300 37.300 35.706 1.594 17577 11655 1 14 . 1 1 67 67 LYS H H 67 8.880 8.880 9.092 -0.212 17577 11656 1 14 . 1 1 68 68 LYS N N 68 129.100 129.100 124.287 4.813 17577 11657 1 14 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.636 0.244 17577 11658 1 14 . 1 1 68 68 LYS C C 68 177.400 177.400 176.442 0.958 17577 11659 1 14 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.431 1.269 17577 11660 1 14 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.770 2.530 17577 11661 1 14 . 1 1 68 68 LYS H H 68 8.850 8.850 8.199 0.651 17577 11662 1 14 . 1 1 69 69 THR N N 69 118.500 118.500 119.050 -0.550 17577 11663 1 14 . 1 1 69 69 THR HA H 69 4.710 4.710 4.563 0.147 17577 11664 1 14 . 1 1 69 69 THR C C 69 174.600 174.600 174.987 -0.387 17577 11665 1 14 . 1 1 69 69 THR CA C 69 61.900 61.900 60.043 1.857 17577 11666 1 14 . 1 1 69 69 THR CB C 69 70.800 70.800 69.861 0.939 17577 11667 1 14 . 1 1 69 69 THR H H 69 8.720 8.720 8.473 0.247 17577 11668 1 14 . 1 1 70 70 SER N N 70 111.800 111.800 118.679 -6.879 17577 11669 1 14 . 1 1 70 70 SER HA H 70 4.420 4.420 4.565 -0.145 17577 11670 1 14 . 1 1 70 70 SER C C 70 174.500 174.500 174.387 0.113 17577 11671 1 14 . 1 1 70 70 SER CA C 70 59.300 59.300 57.842 1.458 17577 11672 1 14 . 1 1 70 70 SER CB C 70 64.400 64.400 61.897 2.503 17577 11673 1 14 . 1 1 70 70 SER H H 70 8.350 8.350 8.690 -0.340 17577 11674 1 14 . 1 1 71 71 ASP N N 71 121.100 121.100 123.203 -2.103 17577 11675 1 14 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.515 -0.135 17577 11676 1 14 . 1 1 71 71 ASP C C 71 175.600 175.600 176.191 -0.591 17577 11677 1 14 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.342 -0.242 17577 11678 1 14 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.740 1.260 17577 11679 1 14 . 1 1 71 71 ASP H H 71 7.960 7.960 8.235 -0.275 17577 11680 1 14 . 1 1 72 72 ASP N N 72 121.000 121.000 119.025 1.975 17577 11681 1 14 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.710 -0.260 17577 11682 1 14 . 1 1 72 72 ASP C C 72 175.900 175.900 175.518 0.382 17577 11683 1 14 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.339 1.761 17577 11684 1 14 . 1 1 72 72 ASP CB C 72 42.100 42.100 41.435 0.665 17577 11685 1 14 . 1 1 72 72 ASP H H 72 8.500 8.500 8.156 0.344 17577 11686 1 14 . 1 1 73 73 GLY N N 73 109.100 109.100 114.914 -5.814 17577 11687 1 14 . 1 1 73 73 GLY C C 73 172.800 172.800 174.879 -2.079 17577 11688 1 14 . 1 1 73 73 GLY CA C 73 45.500 45.500 46.329 -0.829 17577 11689 1 14 . 1 1 73 73 GLY H H 73 8.200 8.200 8.678 -0.478 17577 11690 1 14 . 1 1 74 74 GLU N N 74 123.300 123.300 126.182 -2.882 17577 11691 1 14 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.658 0.112 17577 11692 1 14 . 1 1 74 74 GLU C C 74 173.600 173.600 174.560 -0.960 17577 11693 1 14 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.411 -0.011 17577 11694 1 14 . 1 1 74 74 GLU CB C 74 30.600 30.600 29.875 0.725 17577 11695 1 14 . 1 1 74 74 GLU H H 74 8.780 8.780 8.361 0.419 17577 11696 1 14 . 1 1 75 75 VAL N N 75 123.500 123.500 119.898 3.602 17577 11697 1 14 . 1 1 75 75 VAL HA H 75 5.040 5.040 3.691 1.349 17577 11698 1 14 . 1 1 75 75 VAL C C 75 174.100 174.100 174.504 -0.404 17577 11699 1 14 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.291 2.209 17577 11700 1 14 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.317 -1.317 17577 11701 1 14 . 1 1 75 75 VAL H H 75 7.870 7.870 8.037 -0.167 17577 11702 1 14 . 1 1 76 76 TYR N N 76 125.000 125.000 121.807 3.193 17577 11703 1 14 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.393 0.847 17577 11704 1 14 . 1 1 76 76 TYR C C 76 174.300 174.300 174.240 0.060 17577 11705 1 14 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.261 2.539 17577 11706 1 14 . 1 1 76 76 TYR CB C 76 43.700 43.700 39.058 4.642 17577 11707 1 14 . 1 1 76 76 TYR H H 76 9.360 9.360 7.536 1.824 17577 11708 1 14 . 1 1 77 77 TYR N N 77 120.500 120.500 122.557 -2.057 17577 11709 1 14 . 1 1 77 77 TYR HA H 77 5.880 5.880 5.009 0.871 17577 11710 1 14 . 1 1 77 77 TYR C C 77 174.600 174.600 174.274 0.326 17577 11711 1 14 . 1 1 77 77 TYR CA C 77 58.000 58.000 57.313 0.687 17577 11712 1 14 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.798 1.802 17577 11713 1 14 . 1 1 77 77 TYR H H 77 9.480 9.480 8.759 0.721 17577 11714 1 14 . 1 1 78 78 SER N N 78 125.100 125.100 122.543 2.557 17577 11715 1 14 . 1 1 78 78 SER HA H 78 4.830 4.830 5.139 -0.309 17577 11716 1 14 . 1 1 78 78 SER C C 78 174.300 174.300 175.351 -1.051 17577 11717 1 14 . 1 1 78 78 SER CA C 78 55.600 55.600 56.796 -1.196 17577 11718 1 14 . 1 1 78 78 SER CB C 78 64.400 64.400 64.395 0.005 17577 11719 1 14 . 1 1 78 78 SER H H 78 8.570 8.570 8.443 0.127 17577 11720 1 14 . 1 1 79 79 GLU N N 79 130.000 130.000 127.656 2.344 17577 11721 1 14 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.284 -0.304 17577 11722 1 14 . 1 1 79 79 GLU C C 79 178.600 178.600 178.344 0.256 17577 11723 1 14 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.849 0.251 17577 11724 1 14 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.372 1.129 17577 11725 1 14 . 1 1 79 79 GLU H H 79 8.670 8.670 9.285 -0.615 17577 11726 1 14 . 1 1 80 80 GLU N N 80 118.900 118.900 118.277 0.623 17577 11727 1 14 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.233 -0.233 17577 11728 1 14 . 1 1 80 80 GLU C C 80 177.700 177.700 177.060 0.640 17577 11729 1 14 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.523 1.477 17577 11730 1 14 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.604 0.896 17577 11731 1 14 . 1 1 80 80 GLU H H 80 8.560 8.560 8.857 -0.297 17577 11732 1 14 . 1 1 81 81 ALA N N 81 117.600 117.600 119.339 -1.739 17577 11733 1 14 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.484 -0.094 17577 11734 1 14 . 1 1 81 81 ALA C C 81 176.000 176.000 176.311 -0.311 17577 11735 1 14 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.281 1.119 17577 11736 1 14 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.197 1.403 17577 11737 1 14 . 1 1 81 81 ALA H H 81 7.410 7.410 7.602 -0.192 17577 11738 1 14 . 1 1 82 82 LYS N N 82 118.300 118.300 117.111 1.189 17577 11739 1 14 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.919 -0.049 17577 11740 1 14 . 1 1 82 82 LYS C C 82 175.100 175.100 174.343 0.757 17577 11741 1 14 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.249 -0.049 17577 11742 1 14 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.607 0.693 17577 11743 1 14 . 1 1 82 82 LYS H H 82 7.830 7.830 7.922 -0.092 17577 11744 1 14 . 1 1 83 83 LYS N N 83 118.400 118.400 119.019 -0.619 17577 11745 1 14 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.772 0.668 17577 11746 1 14 . 1 1 83 83 LYS C C 83 172.400 172.400 174.150 -1.750 17577 11747 1 14 . 1 1 83 83 LYS CA C 83 55.500 55.500 54.879 0.621 17577 11748 1 14 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.845 3.255 17577 11749 1 14 . 1 1 83 83 LYS H H 83 7.150 7.150 7.170 -0.020 17577 11750 1 14 . 1 1 84 84 LYS N N 84 130.000 130.000 125.623 4.377 17577 11751 1 14 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.903 0.777 17577 11752 1 14 . 1 1 84 84 LYS C C 84 174.900 174.900 174.262 0.638 17577 11753 1 14 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.396 1.304 17577 11754 1 14 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.250 1.750 17577 11755 1 14 . 1 1 84 84 LYS H H 84 9.540 9.540 8.822 0.718 17577 11756 1 14 . 1 1 85 85 VAL N N 85 121.100 121.100 118.234 2.866 17577 11757 1 14 . 1 1 85 85 VAL HA H 85 4.980 4.980 4.935 0.045 17577 11758 1 14 . 1 1 85 85 VAL C C 85 173.000 173.000 174.240 -1.240 17577 11759 1 14 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.646 1.754 17577 11760 1 14 . 1 1 85 85 VAL CB C 85 36.700 36.700 34.821 1.879 17577 11761 1 14 . 1 1 85 85 VAL H H 85 9.510 9.510 8.119 1.391 17577 11762 1 14 . 1 1 86 86 GLU N N 86 123.700 123.700 126.888 -3.188 17577 11763 1 14 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.400 0.920 17577 11764 1 14 . 1 1 86 86 GLU C C 86 175.800 175.800 174.193 1.607 17577 11765 1 14 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.918 0.782 17577 11766 1 14 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.581 0.619 17577 11767 1 14 . 1 1 86 86 GLU H H 86 8.830 8.830 8.900 -0.070 17577 11768 1 14 . 1 1 87 87 VAL N N 87 125.400 125.400 128.242 -2.842 17577 11769 1 14 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.194 -0.024 17577 11770 1 14 . 1 1 87 87 VAL C C 87 176.000 176.000 175.366 0.634 17577 11771 1 14 . 1 1 87 87 VAL CA C 87 63.500 63.500 62.396 1.104 17577 11772 1 14 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.199 -0.199 17577 11773 1 14 . 1 1 87 87 VAL H H 87 8.760 8.760 8.700 0.060 17577 11774 1 14 . 1 1 88 88 LEU N N 88 128.000 128.000 129.420 -1.420 17577 11775 1 14 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.429 -0.040 17577 11776 1 14 . 1 1 88 88 LEU C C 88 177.200 177.200 177.574 -0.374 17577 11777 1 14 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.581 1.419 17577 11778 1 14 . 1 1 88 88 LEU CB C 88 44.200 44.200 41.553 2.647 17577 11779 1 14 . 1 1 88 88 LEU H H 88 8.990 8.990 8.676 0.314 17577 11780 1 14 . 1 1 89 89 ASP N N 89 113.900 113.900 119.930 -6.030 17577 11781 1 14 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.887 -0.107 17577 11782 1 14 . 1 1 89 89 ASP C C 89 173.900 173.900 174.199 -0.299 17577 11783 1 14 . 1 1 89 89 ASP CA C 89 55.900 55.900 53.522 2.378 17577 11784 1 14 . 1 1 89 89 ASP CB C 89 46.600 46.600 43.839 2.761 17577 11785 1 14 . 1 1 89 89 ASP H H 89 7.140 7.140 7.767 -0.627 17577 11786 1 14 . 1 1 90 90 THR N N 90 119.500 119.500 119.053 0.447 17577 11787 1 14 . 1 1 90 90 THR HA H 90 3.800 3.800 4.400 -0.600 17577 11788 1 14 . 1 1 90 90 THR C C 90 169.800 169.800 173.413 -3.613 17577 11789 1 14 . 1 1 90 90 THR CA C 90 61.500 61.500 61.278 0.222 17577 11790 1 14 . 1 1 90 90 THR CB C 90 69.200 69.200 70.582 -1.382 17577 11791 1 14 . 1 1 90 90 THR H H 90 8.070 8.070 8.338 -0.268 17577 11792 1 14 . 1 1 91 91 ASP N N 91 122.400 122.400 128.945 -6.545 17577 11793 1 14 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.400 0.450 17577 11794 1 14 . 1 1 91 91 ASP C C 91 176.800 176.800 177.040 -0.240 17577 11795 1 14 . 1 1 91 91 ASP CA C 91 53.900 53.900 54.660 -0.760 17577 11796 1 14 . 1 1 91 91 ASP CB C 91 41.900 41.900 40.937 0.963 17577 11797 1 14 . 1 1 91 91 ASP H H 91 6.790 6.790 8.877 -2.087 17577 11798 1 14 . 1 1 92 92 TYR N N 92 115.100 115.100 114.035 1.065 17577 11799 1 14 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.878 -0.368 17577 11800 1 14 . 1 1 92 92 TYR C C 92 173.900 173.900 174.508 -0.608 17577 11801 1 14 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.643 2.657 17577 11802 1 14 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.577 0.023 17577 11803 1 14 . 1 1 92 92 TYR H H 92 9.420 9.420 8.132 1.288 17577 11804 1 14 . 1 1 93 93 LYS N N 93 112.300 112.300 115.990 -3.690 17577 11805 1 14 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.387 0.283 17577 11806 1 14 . 1 1 93 93 LYS C C 93 175.600 175.600 175.632 -0.032 17577 11807 1 14 . 1 1 93 93 LYS CA C 93 59.500 59.500 56.904 2.595 17577 11808 1 14 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.421 4.379 17577 11809 1 14 . 1 1 93 93 LYS H H 93 8.080 8.080 8.185 -0.105 17577 11810 1 14 . 1 1 94 94 SER N N 94 120.300 120.300 112.053 8.247 17577 11811 1 14 . 1 1 94 94 SER HA H 94 4.820 4.820 4.512 0.308 17577 11812 1 14 . 1 1 94 94 SER CA C 94 61.200 61.200 59.040 2.160 17577 11813 1 14 . 1 1 94 94 SER CB C 94 68.800 68.800 64.042 4.758 17577 11814 1 14 . 1 1 94 94 SER H H 94 11.420 11.420 7.652 3.768 17577 11815 1 14 . 1 1 95 95 TYR N N 95 122.700 122.700 115.092 7.608 17577 11816 1 14 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.194 0.956 17577 11817 1 14 . 1 1 95 95 TYR C C 95 173.500 173.500 173.095 0.405 17577 11818 1 14 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.111 2.489 17577 11819 1 14 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.984 1.616 17577 11820 1 14 . 1 1 95 95 TYR H H 95 8.490 8.490 7.150 1.340 17577 11821 1 14 . 1 1 96 96 ALA N N 96 120.900 120.900 120.300 0.600 17577 11822 1 14 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.670 -0.120 17577 11823 1 14 . 1 1 96 96 ALA C C 96 174.700 174.700 174.994 -0.294 17577 11824 1 14 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.764 1.736 17577 11825 1 14 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.384 1.316 17577 11826 1 14 . 1 1 96 96 ALA H H 96 9.010 9.010 8.335 0.675 17577 11827 1 14 . 1 1 97 97 VAL N N 97 121.700 121.700 122.130 -0.430 17577 11828 1 14 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.334 -0.314 17577 11829 1 14 . 1 1 97 97 VAL C C 97 174.300 174.300 174.953 -0.653 17577 11830 1 14 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.119 2.081 17577 11831 1 14 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.222 0.378 17577 11832 1 14 . 1 1 97 97 VAL H H 97 9.310 9.310 8.752 0.558 17577 11833 1 14 . 1 1 98 98 ILE N N 98 129.600 129.600 126.081 3.519 17577 11834 1 14 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.709 0.341 17577 11835 1 14 . 1 1 98 98 ILE C C 98 174.000 174.000 174.037 -0.037 17577 11836 1 14 . 1 1 98 98 ILE CA C 98 59.200 59.200 60.021 -0.821 17577 11837 1 14 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.561 0.139 17577 11838 1 14 . 1 1 98 98 ILE H H 98 9.550 9.550 8.197 1.353 17577 11839 1 14 . 1 1 99 99 TYR N N 99 128.100 128.100 127.130 0.970 17577 11840 1 14 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.785 0.475 17577 11841 1 14 . 1 1 99 99 TYR C C 99 173.700 173.700 173.968 -0.268 17577 11842 1 14 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.019 0.681 17577 11843 1 14 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.885 2.315 17577 11844 1 14 . 1 1 99 99 TYR H H 99 9.550 9.550 9.131 0.419 17577 11845 1 14 . 1 1 100 100 ALA N N 100 134.400 134.400 131.250 3.150 17577 11846 1 14 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.295 0.425 17577 11847 1 14 . 1 1 100 100 ALA C C 100 175.500 175.500 175.645 -0.145 17577 11848 1 14 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.963 1.437 17577 11849 1 14 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.677 3.223 17577 11850 1 14 . 1 1 100 100 ALA H H 100 9.610 9.610 8.914 0.696 17577 11851 1 14 . 1 1 101 101 THR N N 101 116.200 116.200 113.453 2.747 17577 11852 1 14 . 1 1 101 101 THR HA H 101 5.450 5.450 4.764 0.686 17577 11853 1 14 . 1 1 101 101 THR C C 101 173.600 173.600 172.894 0.706 17577 11854 1 14 . 1 1 101 101 THR CA C 101 62.000 62.000 61.035 0.965 17577 11855 1 14 . 1 1 101 101 THR CB C 101 73.100 73.100 71.760 1.340 17577 11856 1 14 . 1 1 101 101 THR H H 101 9.430 9.430 8.925 0.505 17577 11857 1 14 . 1 1 102 102 ARG N N 102 125.700 125.700 126.624 -0.924 17577 11858 1 14 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.949 0.261 17577 11859 1 14 . 1 1 102 102 ARG C C 102 173.900 173.900 173.683 0.217 17577 11860 1 14 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.738 0.762 17577 11861 1 14 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.767 2.333 17577 11862 1 14 . 1 1 102 102 ARG H H 102 8.970 8.970 8.111 0.859 17577 11863 1 14 . 1 1 103 103 VAL N N 103 122.100 122.100 125.835 -3.735 17577 11864 1 14 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.607 0.163 17577 11865 1 14 . 1 1 103 103 VAL C C 103 175.700 175.700 174.664 1.036 17577 11866 1 14 . 1 1 103 103 VAL CA C 103 62.400 62.400 59.793 2.607 17577 11867 1 14 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.830 -0.430 17577 11868 1 14 . 1 1 103 103 VAL H H 103 7.870 7.870 8.058 -0.188 17577 11869 1 14 . 1 1 104 104 LYS N N 104 130.100 130.100 128.894 1.206 17577 11870 1 14 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.560 -0.100 17577 11871 1 14 . 1 1 104 104 LYS C C 104 175.400 175.400 175.574 -0.174 17577 11872 1 14 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.219 1.781 17577 11873 1 14 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.524 1.876 17577 11874 1 14 . 1 1 104 104 LYS H H 104 8.980 8.980 8.675 0.305 17577 11875 1 14 . 1 1 106 106 GLY N N 106 136.200 136.200 113.222 22.978 17577 11876 1 14 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.916 1.484 17577 11877 1 14 . 1 1 106 106 GLY H H 106 8.330 8.330 8.746 -0.416 17577 11878 1 14 . 1 1 107 107 ARG N N 107 121.300 121.300 121.037 0.263 17577 11879 1 14 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.739 -0.069 17577 11880 1 14 . 1 1 107 107 ARG C C 107 174.500 174.500 174.365 0.135 17577 11881 1 14 . 1 1 107 107 ARG CA C 107 55.400 55.400 55.062 0.338 17577 11882 1 14 . 1 1 107 107 ARG CB C 107 33.200 33.200 32.924 0.276 17577 11883 1 14 . 1 1 107 107 ARG H H 107 7.880 7.880 8.032 -0.152 17577 11884 1 14 . 1 1 108 108 THR N N 108 118.800 118.800 118.764 0.036 17577 11885 1 14 . 1 1 108 108 THR HA H 108 4.490 4.490 4.566 -0.076 17577 11886 1 14 . 1 1 108 108 THR C C 108 173.400 173.400 173.532 -0.132 17577 11887 1 14 . 1 1 108 108 THR CA C 108 64.100 64.100 61.560 2.540 17577 11888 1 14 . 1 1 108 108 THR CB C 108 69.800 69.800 70.688 -0.888 17577 11889 1 14 . 1 1 108 108 THR H H 108 8.650 8.650 8.353 0.297 17577 11890 1 14 . 1 1 109 109 LEU N N 109 128.900 128.900 122.917 5.983 17577 11891 1 14 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.738 -0.008 17577 11892 1 14 . 1 1 109 109 LEU C C 109 175.700 175.700 174.550 1.150 17577 11893 1 14 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.663 -0.363 17577 11894 1 14 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.320 0.180 17577 11895 1 14 . 1 1 109 109 LEU H H 109 9.220 9.220 8.112 1.108 17577 11896 1 14 . 1 1 110 110 HIS N N 110 116.200 116.200 117.845 -1.645 17577 11897 1 14 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.165 0.875 17577 11898 1 14 . 1 1 110 110 HIS C C 110 175.300 175.300 173.549 1.751 17577 11899 1 14 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.333 0.967 17577 11900 1 14 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.346 2.155 17577 11901 1 14 . 1 1 110 110 HIS H H 110 8.490 8.490 7.937 0.553 17577 11902 1 14 . 1 1 111 111 MET N N 111 123.400 123.400 117.261 6.139 17577 11903 1 14 . 1 1 111 111 MET HA H 111 4.550 4.550 4.869 -0.319 17577 11904 1 14 . 1 1 111 111 MET C C 111 174.000 174.000 173.417 0.583 17577 11905 1 14 . 1 1 111 111 MET CA C 111 56.600 56.600 54.709 1.891 17577 11906 1 14 . 1 1 111 111 MET CB C 111 37.800 37.800 36.817 0.983 17577 11907 1 14 . 1 1 111 111 MET H H 111 9.090 9.090 9.015 0.075 17577 11908 1 14 . 1 1 112 112 MET N N 112 122.900 122.900 120.389 2.511 17577 11909 1 14 . 1 1 112 112 MET HA H 112 5.670 5.670 5.361 0.309 17577 11910 1 14 . 1 1 112 112 MET C C 112 175.400 175.400 174.688 0.712 17577 11911 1 14 . 1 1 112 112 MET CA C 112 55.100 55.100 53.914 1.186 17577 11912 1 14 . 1 1 112 112 MET CB C 112 37.200 37.200 36.879 0.321 17577 11913 1 14 . 1 1 112 112 MET H H 112 9.120 9.120 8.398 0.722 17577 11914 1 14 . 1 1 113 113 ARG N N 113 119.500 119.500 120.324 -0.824 17577 11915 1 14 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.831 0.219 17577 11916 1 14 . 1 1 113 113 ARG C C 113 173.800 173.800 173.817 -0.017 17577 11917 1 14 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.799 1.201 17577 11918 1 14 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.932 3.668 17577 11919 1 14 . 1 1 113 113 ARG H H 113 9.390 9.390 8.413 0.977 17577 11920 1 14 . 1 1 114 114 LEU N N 114 124.400 124.400 122.067 2.333 17577 11921 1 14 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.022 0.008 17577 11922 1 14 . 1 1 114 114 LEU C C 114 174.200 174.200 174.595 -0.395 17577 11923 1 14 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.062 1.038 17577 11924 1 14 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.617 -0.717 17577 11925 1 14 . 1 1 114 114 LEU H H 114 8.020 8.020 7.670 0.350 17577 11926 1 14 . 1 1 115 115 TYR N N 115 126.000 126.000 125.181 0.819 17577 11927 1 14 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.794 0.006 17577 11928 1 14 . 1 1 115 115 TYR C C 115 176.500 176.500 175.942 0.558 17577 11929 1 14 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.159 1.841 17577 11930 1 14 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.702 1.198 17577 11931 1 14 . 1 1 115 115 TYR H H 115 9.540 9.540 9.235 0.305 17577 11932 1 14 . 1 1 116 116 SER N N 116 113.200 113.200 115.031 -1.831 17577 11933 1 14 . 1 1 116 116 SER HA H 116 5.840 5.840 5.276 0.564 17577 11934 1 14 . 1 1 116 116 SER C C 116 175.400 175.400 174.344 1.056 17577 11935 1 14 . 1 1 116 116 SER CA C 116 56.600 56.600 56.470 0.130 17577 11936 1 14 . 1 1 116 116 SER CB C 116 67.700 67.700 65.626 2.074 17577 11937 1 14 . 1 1 116 116 SER H H 116 9.930 9.930 8.369 1.561 17577 11938 1 14 . 1 1 117 117 ARG N N 117 130.500 130.500 126.031 4.469 17577 11939 1 14 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.241 -0.561 17577 11940 1 14 . 1 1 117 117 ARG C C 117 175.400 175.400 175.863 -0.463 17577 11941 1 14 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.431 1.869 17577 11942 1 14 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.706 1.794 17577 11943 1 14 . 1 1 117 117 ARG H H 117 8.350 8.350 8.928 -0.578 17577 11944 1 14 . 1 1 118 118 SER N N 118 111.300 111.300 112.442 -1.142 17577 11945 1 14 . 1 1 118 118 SER HA H 118 4.990 4.990 4.865 0.125 17577 11946 1 14 . 1 1 118 118 SER C C 118 173.400 173.400 172.930 0.470 17577 11947 1 14 . 1 1 118 118 SER CA C 118 54.800 54.800 54.678 0.122 17577 11948 1 14 . 1 1 118 118 SER CB C 118 65.800 65.800 64.999 0.801 17577 11949 1 14 . 1 1 118 118 SER H H 118 7.980 7.980 7.505 0.475 17577 11950 1 14 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.037 -0.067 17577 11951 1 14 . 1 1 119 119 PRO C C 119 175.500 175.500 176.282 -0.782 17577 11952 1 14 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.577 0.523 17577 11953 1 14 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.804 0.396 17577 11954 1 14 . 1 1 120 120 GLU N N 120 117.500 117.500 115.980 1.520 17577 11955 1 14 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.399 -0.139 17577 11956 1 14 . 1 1 120 120 GLU C C 120 174.500 174.500 175.690 -1.190 17577 11957 1 14 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.382 0.418 17577 11958 1 14 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.223 -1.523 17577 11959 1 14 . 1 1 120 120 GLU H H 120 7.410 7.410 7.441 -0.031 17577 11960 1 14 . 1 1 121 121 VAL N N 121 124.900 124.900 119.570 5.330 17577 11961 1 14 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.191 -0.051 17577 11962 1 14 . 1 1 121 121 VAL C C 121 174.400 174.400 175.709 -1.309 17577 11963 1 14 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.142 0.558 17577 11964 1 14 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.174 0.926 17577 11965 1 14 . 1 1 121 121 VAL H H 121 7.900 7.900 8.337 -0.437 17577 11966 1 14 . 1 1 122 122 SER N N 122 124.500 124.500 123.578 0.922 17577 11967 1 14 . 1 1 122 122 SER HA H 122 4.750 4.750 4.636 0.114 17577 11968 1 14 . 1 1 122 122 SER CA C 122 57.300 57.300 55.326 1.974 17577 11969 1 14 . 1 1 122 122 SER CB C 122 64.500 64.500 63.753 0.747 17577 11970 1 14 . 1 1 122 122 SER H H 122 8.680 8.680 8.437 0.243 17577 11971 1 14 . 1 1 123 123 PRO C C 123 175.600 175.600 177.194 -1.594 17577 11972 1 14 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.556 0.344 17577 11973 1 14 . 1 1 124 124 ALA N N 124 120.100 120.100 118.202 1.898 17577 11974 1 14 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.135 -0.065 17577 11975 1 14 . 1 1 124 124 ALA C C 124 179.900 179.900 179.030 0.870 17577 11976 1 14 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.280 1.520 17577 11977 1 14 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.089 1.011 17577 11978 1 14 . 1 1 124 124 ALA H H 124 8.030 8.030 7.675 0.355 17577 11979 1 14 . 1 1 125 125 ALA N N 125 121.100 121.100 121.443 -0.343 17577 11980 1 14 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.103 0.327 17577 11981 1 14 . 1 1 125 125 ALA C C 125 179.200 179.200 179.642 -0.442 17577 11982 1 14 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.710 0.890 17577 11983 1 14 . 1 1 125 125 ALA CB C 125 19.200 19.200 17.978 1.222 17577 11984 1 14 . 1 1 125 125 ALA H H 125 7.510 7.510 8.187 -0.677 17577 11985 1 14 . 1 1 126 126 THR N N 126 113.200 113.200 113.789 -0.589 17577 11986 1 14 . 1 1 126 126 THR HA H 126 4.150 4.150 4.088 0.062 17577 11987 1 14 . 1 1 126 126 THR C C 126 176.100 176.100 176.114 -0.014 17577 11988 1 14 . 1 1 126 126 THR CA C 126 68.900 68.900 65.748 3.152 17577 11989 1 14 . 1 1 126 126 THR CB C 126 67.700 67.700 68.418 -0.718 17577 11990 1 14 . 1 1 126 126 THR H H 126 7.820 7.820 7.684 0.136 17577 11991 1 14 . 1 1 127 127 ALA N N 127 123.100 123.100 124.871 -1.771 17577 11992 1 14 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.097 -0.017 17577 11993 1 14 . 1 1 127 127 ALA C C 127 181.100 181.100 178.952 2.148 17577 11994 1 14 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.999 1.201 17577 11995 1 14 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.387 0.313 17577 11996 1 14 . 1 1 127 127 ALA H H 127 7.900 7.900 7.439 0.461 17577 11997 1 14 . 1 1 128 128 ILE N N 128 120.900 120.900 119.917 0.983 17577 11998 1 14 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.781 -0.041 17577 11999 1 14 . 1 1 128 128 ILE C C 128 177.300 177.300 177.049 0.251 17577 12000 1 14 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.520 2.080 17577 12001 1 14 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.908 2.491 17577 12002 1 14 . 1 1 128 128 ILE H H 128 7.640 7.640 8.284 -0.644 17577 12003 1 14 . 1 1 129 129 PHE N N 129 120.300 120.300 119.900 0.400 17577 12004 1 14 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.043 -0.033 17577 12005 1 14 . 1 1 129 129 PHE C C 129 176.100 176.100 176.981 -0.881 17577 12006 1 14 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.722 1.578 17577 12007 1 14 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.599 2.301 17577 12008 1 14 . 1 1 129 129 PHE H H 129 8.250 8.250 7.681 0.569 17577 12009 1 14 . 1 1 130 130 ARG N N 130 116.300 116.300 118.506 -2.206 17577 12010 1 14 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.610 -0.050 17577 12011 1 14 . 1 1 130 130 ARG C C 130 179.400 179.400 178.290 1.110 17577 12012 1 14 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.294 1.806 17577 12013 1 14 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.057 0.543 17577 12014 1 14 . 1 1 130 130 ARG H H 130 8.650 8.650 7.434 1.216 17577 12015 1 14 . 1 1 131 131 LYS N N 131 122.200 122.200 120.265 1.935 17577 12016 1 14 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.915 0.115 17577 12017 1 14 . 1 1 131 131 LYS C C 131 179.300 179.300 179.027 0.273 17577 12018 1 14 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.346 1.153 17577 12019 1 14 . 1 1 131 131 LYS CB C 131 33.200 33.200 31.950 1.250 17577 12020 1 14 . 1 1 131 131 LYS H H 131 8.020 8.020 7.875 0.145 17577 12021 1 14 . 1 1 132 132 LEU N N 132 120.300 120.300 118.734 1.566 17577 12022 1 14 . 1 1 132 132 LEU HA H 132 3.930 3.930 3.938 -0.008 17577 12023 1 14 . 1 1 132 132 LEU C C 132 179.600 179.600 178.870 0.730 17577 12024 1 14 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.373 1.227 17577 12025 1 14 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.311 1.189 17577 12026 1 14 . 1 1 132 132 LEU H H 132 8.450 8.450 7.561 0.889 17577 12027 1 14 . 1 1 133 133 ALA N N 133 122.400 122.400 120.344 2.056 17577 12028 1 14 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.666 0.304 17577 12029 1 14 . 1 1 133 133 ALA C C 133 180.400 180.400 179.256 1.144 17577 12030 1 14 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.443 1.557 17577 12031 1 14 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.029 -0.129 17577 12032 1 14 . 1 1 133 133 ALA H H 133 8.750 8.750 7.471 1.279 17577 12033 1 14 . 1 1 134 134 GLY N N 134 107.400 107.400 105.235 2.165 17577 12034 1 14 . 1 1 134 134 GLY C C 134 178.200 178.200 176.508 1.692 17577 12035 1 14 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.640 1.460 17577 12036 1 14 . 1 1 134 134 GLY H H 134 8.130 8.130 8.270 -0.140 17577 12037 1 14 . 1 1 135 135 GLU N N 135 121.900 121.900 119.659 2.241 17577 12038 1 14 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.113 -0.063 17577 12039 1 14 . 1 1 135 135 GLU C C 135 177.400 177.400 177.403 -0.003 17577 12040 1 14 . 1 1 135 135 GLU CA C 135 59.300 59.300 57.778 1.522 17577 12041 1 14 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.450 0.950 17577 12042 1 14 . 1 1 135 135 GLU H H 135 7.730 7.730 7.622 0.108 17577 12043 1 14 . 1 1 136 136 ARG N N 136 118.000 118.000 117.999 0.001 17577 12044 1 14 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.421 -0.271 17577 12045 1 14 . 1 1 136 136 ARG C C 136 173.500 173.500 175.362 -1.862 17577 12046 1 14 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.496 0.304 17577 12047 1 14 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.564 -1.664 17577 12048 1 14 . 1 1 136 136 ARG H H 136 7.130 7.130 7.287 -0.157 17577 12049 1 14 . 1 1 137 137 ASN N N 137 109.600 109.600 116.085 -6.485 17577 12050 1 14 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.439 -0.289 17577 12051 1 14 . 1 1 137 137 ASN C C 137 174.200 174.200 175.000 -0.800 17577 12052 1 14 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.616 1.384 17577 12053 1 14 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.353 0.847 17577 12054 1 14 . 1 1 137 137 ASN H H 137 7.560 7.560 8.188 -0.628 17577 12055 1 14 . 1 1 138 138 TYR N N 138 118.600 118.600 117.813 0.787 17577 12056 1 14 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.628 0.662 17577 12057 1 14 . 1 1 138 138 TYR C C 138 175.900 175.900 175.065 0.835 17577 12058 1 14 . 1 1 138 138 TYR CA C 138 57.700 57.700 57.025 0.675 17577 12059 1 14 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.166 -1.567 17577 12060 1 14 . 1 1 138 138 TYR H H 138 8.020 8.020 7.969 0.051 17577 12061 1 14 . 1 1 139 139 THR N N 139 115.000 115.000 110.478 4.522 17577 12062 1 14 . 1 1 139 139 THR HA H 139 4.420 4.420 4.106 0.314 17577 12063 1 14 . 1 1 139 139 THR C C 139 175.500 175.500 174.756 0.744 17577 12064 1 14 . 1 1 139 139 THR CA C 139 61.400 61.400 59.116 2.284 17577 12065 1 14 . 1 1 139 139 THR CB C 139 71.400 71.400 72.640 -1.240 17577 12066 1 14 . 1 1 139 139 THR H H 139 7.740 7.740 7.635 0.105 17577 12067 1 14 . 1 1 140 140 ASP N N 140 117.900 117.900 122.811 -4.911 17577 12068 1 14 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.070 0.190 17577 12069 1 14 . 1 1 140 140 ASP C C 140 178.400 178.400 178.240 0.160 17577 12070 1 14 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.583 1.417 17577 12071 1 14 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.684 1.116 17577 12072 1 14 . 1 1 140 140 ASP H H 140 8.630 8.630 8.663 -0.033 17577 12073 1 14 . 1 1 141 141 GLU N N 141 116.800 116.800 117.291 -0.491 17577 12074 1 14 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.051 0.219 17577 12075 1 14 . 1 1 141 141 GLU C C 141 176.200 176.200 177.564 -1.364 17577 12076 1 14 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.318 0.782 17577 12077 1 14 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.151 0.949 17577 12078 1 14 . 1 1 141 141 GLU H H 141 8.500 8.500 8.586 -0.086 17577 12079 1 14 . 1 1 142 142 MET N N 142 117.400 117.400 116.888 0.512 17577 12080 1 14 . 1 1 142 142 MET HA H 142 4.490 4.490 4.378 0.112 17577 12081 1 14 . 1 1 142 142 MET C C 142 172.900 172.900 175.079 -2.179 17577 12082 1 14 . 1 1 142 142 MET CA C 142 57.100 57.100 57.051 0.049 17577 12083 1 14 . 1 1 142 142 MET CB C 142 33.400 33.400 34.164 -0.764 17577 12084 1 14 . 1 1 142 142 MET H H 142 7.960 7.960 7.693 0.267 17577 12085 1 14 . 1 1 143 143 VAL N N 143 116.800 116.800 117.893 -1.093 17577 12086 1 14 . 1 1 143 143 VAL HA H 143 4.790 4.790 5.033 -0.243 17577 12087 1 14 . 1 1 143 143 VAL C C 143 175.600 175.600 174.199 1.401 17577 12088 1 14 . 1 1 143 143 VAL CA C 143 62.200 62.200 60.242 1.958 17577 12089 1 14 . 1 1 143 143 VAL CB C 143 34.500 34.500 35.137 -0.637 17577 12090 1 14 . 1 1 143 143 VAL H H 143 7.120 7.120 7.419 -0.299 17577 12091 1 14 . 1 1 144 144 ALA N N 144 131.000 131.000 131.776 -0.776 17577 12092 1 14 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.875 -0.065 17577 12093 1 14 . 1 1 144 144 ALA C C 144 175.800 175.800 176.100 -0.300 17577 12094 1 14 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.497 1.003 17577 12095 1 14 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.975 0.625 17577 12096 1 14 . 1 1 144 144 ALA H H 144 9.600 9.600 9.091 0.509 17577 12097 1 14 . 1 1 145 145 MET N N 145 122.400 122.400 121.930 0.470 17577 12098 1 14 . 1 1 145 145 MET HA H 145 4.890 4.890 4.526 0.364 17577 12099 1 14 . 1 1 145 145 MET C C 145 176.900 176.900 175.873 1.027 17577 12100 1 14 . 1 1 145 145 MET CA C 145 54.000 54.000 54.573 -0.573 17577 12101 1 14 . 1 1 145 145 MET CB C 145 30.100 30.100 33.293 -3.193 17577 12102 1 14 . 1 1 145 145 MET H H 145 8.630 8.630 8.686 -0.056 17577 12103 1 14 . 1 1 146 146 LEU N N 146 125.400 125.400 123.754 1.646 17577 12104 1 14 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.810 -0.270 17577 12105 1 14 . 1 1 146 146 LEU C C 146 174.500 174.500 174.826 -0.326 17577 12106 1 14 . 1 1 146 146 LEU CA C 146 53.900 53.900 52.153 1.747 17577 12107 1 14 . 1 1 146 146 LEU CB C 146 42.800 42.800 42.446 0.354 17577 12108 1 14 . 1 1 146 146 LEU H H 146 7.880 7.880 8.148 -0.268 17577 12109 1 14 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.712 -0.132 17577 12110 1 14 . 1 1 147 147 PRO C C 147 176.200 176.200 177.066 -0.866 17577 12111 1 14 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.139 1.161 17577 12112 1 14 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.020 0.580 17577 12113 1 14 . 1 1 148 148 ARG N N 148 120.700 120.700 116.489 4.211 17577 12114 1 14 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.034 0.236 17577 12115 1 14 . 1 1 148 148 ARG C C 148 175.500 175.500 175.998 -0.498 17577 12116 1 14 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.657 0.643 17577 12117 1 14 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.634 2.766 17577 12118 1 14 . 1 1 148 148 ARG H H 148 8.540 8.540 8.469 0.071 17577 12119 1 14 . 1 1 149 149 GLN N N 149 115.000 115.000 121.561 -6.561 17577 12120 1 14 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.197 0.523 17577 12121 1 14 . 1 1 149 149 GLN C C 149 174.300 174.300 174.749 -0.449 17577 12122 1 14 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.798 -0.898 17577 12123 1 14 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.241 0.459 17577 12124 1 14 . 1 1 149 149 GLN H H 149 7.770 7.770 8.016 -0.246 17577 12125 1 14 . 1 1 150 150 GLU N N 150 117.800 117.800 122.289 -4.489 17577 12126 1 14 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.638 -0.168 17577 12127 1 14 . 1 1 150 150 GLU C C 150 175.800 175.800 175.002 0.798 17577 12128 1 14 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.811 1.489 17577 12129 1 14 . 1 1 150 150 GLU CB C 150 32.400 32.400 32.138 0.262 17577 12130 1 14 . 1 1 150 150 GLU H H 150 8.570 8.570 8.559 0.011 17577 12131 1 14 . 1 1 151 151 GLU N N 151 119.200 119.200 122.321 -3.121 17577 12132 1 14 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.468 -0.208 17577 12133 1 14 . 1 1 151 151 GLU C C 151 176.000 176.000 175.924 0.076 17577 12134 1 14 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.327 3.173 17577 12135 1 14 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.414 1.786 17577 12136 1 14 . 1 1 151 151 GLU H H 151 8.000 8.000 8.600 -0.600 17577 12137 1 14 . 1 1 152 152 CYS N N 152 122.100 122.100 118.653 3.447 17577 12138 1 14 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.529 0.611 17577 12139 1 14 . 1 1 152 152 CYS C C 152 172.800 172.800 173.307 -0.507 17577 12140 1 14 . 1 1 152 152 CYS CA C 152 54.000 54.000 59.289 -5.289 17577 12141 1 14 . 1 1 152 152 CYS CB C 152 34.900 34.900 28.442 6.457 17577 12142 1 14 . 1 1 152 152 CYS H H 152 9.620 9.620 8.312 1.308 17577 12143 1 14 . 1 1 153 153 THR N N 153 118.000 118.000 113.337 4.663 17577 12144 1 14 . 1 1 153 153 THR HA H 153 4.860 4.860 4.540 0.320 17577 12145 1 14 . 1 1 153 153 THR C C 153 173.000 173.000 173.347 -0.347 17577 12146 1 14 . 1 1 153 153 THR CA C 153 59.800 59.800 60.379 -0.579 17577 12147 1 14 . 1 1 153 153 THR CB C 153 72.500 72.500 70.942 1.558 17577 12148 1 14 . 1 1 153 153 THR H H 153 8.490 8.490 8.004 0.486 17577 12149 1 14 . 1 1 154 154 VAL N N 154 114.900 114.900 119.409 -4.509 17577 12150 1 14 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.204 -0.084 17577 12151 1 14 . 1 1 154 154 VAL C C 154 175.500 175.500 175.400 0.100 17577 12152 1 14 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.139 -0.139 17577 12153 1 14 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.486 0.614 17577 12154 1 14 . 1 1 154 154 VAL H H 154 6.920 6.920 8.047 -1.127 17577 12155 1 14 . 1 1 155 155 ASP N N 155 124.100 124.100 125.131 -1.031 17577 12156 1 14 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.632 -0.142 17577 12157 1 14 . 1 1 155 155 ASP C C 155 175.800 175.800 176.973 -1.173 17577 12158 1 14 . 1 1 155 155 ASP CA C 155 55.700 55.700 54.478 1.222 17577 12159 1 14 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.013 1.288 17577 12160 1 14 . 1 1 155 155 ASP H H 155 8.390 8.390 8.398 -0.008 17577 12161 1 14 . 1 1 156 156 GLU N N 156 121.000 121.000 122.577 -1.577 17577 12162 1 14 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.171 -0.001 17577 12163 1 14 . 1 1 156 156 GLU C C 156 175.400 175.400 176.815 -1.415 17577 12164 1 14 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.293 0.207 17577 12165 1 14 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.940 1.460 17577 12166 1 14 . 1 1 156 156 GLU H H 156 8.450 8.450 8.551 -0.101 17577 12167 1 15 . 1 1 4 4 PRO C C 4 175.800 175.800 177.267 -1.467 17577 12168 1 15 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.481 -0.181 17577 12169 1 15 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.586 1.414 17577 12170 1 15 . 1 1 5 5 ASP N N 5 119.400 119.400 118.471 0.929 17577 12171 1 15 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.339 0.171 17577 12172 1 15 . 1 1 5 5 ASP C C 5 177.100 177.100 178.279 -1.179 17577 12173 1 15 . 1 1 5 5 ASP CA C 5 54.800 54.800 57.270 -2.470 17577 12174 1 15 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.086 2.314 17577 12175 1 15 . 1 1 5 5 ASP H H 5 8.090 8.090 8.512 -0.422 17577 12176 1 15 . 1 1 6 6 ARG N N 6 124.800 124.800 119.818 4.982 17577 12177 1 15 . 1 1 6 6 ARG C C 6 177.300 177.300 178.152 -0.852 17577 12178 1 15 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.197 -0.196 17577 12179 1 15 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.833 0.667 17577 12180 1 15 . 1 1 6 6 ARG H H 6 8.590 8.590 8.040 0.550 17577 12181 1 15 . 1 1 7 7 SER N N 7 113.800 113.800 112.779 1.021 17577 12182 1 15 . 1 1 7 7 SER CA C 7 62.400 62.400 61.406 0.994 17577 12183 1 15 . 1 1 7 7 SER CB C 7 63.800 63.800 62.648 1.152 17577 12184 1 15 . 1 1 7 7 SER H H 7 8.240 8.240 7.735 0.505 17577 12185 1 15 . 1 1 8 8 GLU N N 8 120.200 120.200 119.219 0.981 17577 12186 1 15 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.072 0.258 17577 12187 1 15 . 1 1 8 8 GLU C C 8 177.100 177.100 177.718 -0.618 17577 12188 1 15 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.428 0.272 17577 12189 1 15 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.462 1.438 17577 12190 1 15 . 1 1 8 8 GLU H H 8 8.030 8.030 7.225 0.805 17577 12191 1 15 . 1 1 9 9 ILE N N 9 112.800 112.800 117.851 -5.051 17577 12192 1 15 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.681 0.669 17577 12193 1 15 . 1 1 9 9 ILE C C 9 175.000 175.000 175.195 -0.195 17577 12194 1 15 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.855 2.545 17577 12195 1 15 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.337 2.663 17577 12196 1 15 . 1 1 9 9 ILE H H 9 7.530 7.530 7.256 0.274 17577 12197 1 15 . 1 1 10 10 ALA N N 10 120.400 120.400 122.275 -1.875 17577 12198 1 15 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.549 -0.479 17577 12199 1 15 . 1 1 10 10 ALA C C 10 177.500 177.500 177.085 0.415 17577 12200 1 15 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.093 -0.093 17577 12201 1 15 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.060 1.340 17577 12202 1 15 . 1 1 10 10 ALA H H 10 7.410 7.410 8.126 -0.716 17577 12203 1 15 . 1 1 11 11 GLY N N 11 108.300 108.300 109.514 -1.214 17577 12204 1 15 . 1 1 11 11 GLY C C 11 173.700 173.700 173.261 0.439 17577 12205 1 15 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.865 0.435 17577 12206 1 15 . 1 1 11 11 GLY H H 11 8.780 8.780 8.708 0.072 17577 12207 1 15 . 1 1 12 12 LYS N N 12 122.300 122.300 121.391 0.909 17577 12208 1 15 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.927 -0.097 17577 12209 1 15 . 1 1 12 12 LYS C C 12 175.900 175.900 174.307 1.593 17577 12210 1 15 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.254 2.046 17577 12211 1 15 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.487 0.513 17577 12212 1 15 . 1 1 12 12 LYS H H 12 8.740 8.740 7.750 0.990 17577 12213 1 15 . 1 1 13 13 TRP N N 13 126.000 126.000 126.615 -0.615 17577 12214 1 15 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.057 -0.427 17577 12215 1 15 . 1 1 13 13 TRP C C 13 173.300 173.300 174.661 -1.361 17577 12216 1 15 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.487 1.213 17577 12217 1 15 . 1 1 13 13 TRP CB C 13 35.400 35.400 32.158 3.242 17577 12218 1 15 . 1 1 13 13 TRP H H 13 9.440 9.440 9.727 -0.287 17577 12219 1 15 . 1 1 14 14 TYR N N 14 118.300 118.300 122.430 -4.130 17577 12220 1 15 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.114 -0.064 17577 12221 1 15 . 1 1 14 14 TYR C C 14 175.400 175.400 175.111 0.289 17577 12222 1 15 . 1 1 14 14 TYR CA C 14 58.800 58.800 56.379 2.421 17577 12223 1 15 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.867 0.633 17577 12224 1 15 . 1 1 14 14 TYR H H 14 9.370 9.370 9.132 0.238 17577 12225 1 15 . 1 1 15 15 VAL N N 15 124.200 124.200 123.759 0.441 17577 12226 1 15 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.763 0.277 17577 12227 1 15 . 1 1 15 15 VAL C C 15 175.500 175.500 175.224 0.276 17577 12228 1 15 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.248 1.452 17577 12229 1 15 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.139 0.261 17577 12230 1 15 . 1 1 15 15 VAL H H 15 9.000 9.000 8.627 0.373 17577 12231 1 15 . 1 1 16 16 VAL N N 16 114.600 114.600 122.315 -7.715 17577 12232 1 15 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.439 0.211 17577 12233 1 15 . 1 1 16 16 VAL C C 16 175.900 175.900 174.113 1.787 17577 12234 1 15 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.006 2.194 17577 12235 1 15 . 1 1 16 16 VAL CB C 16 33.600 33.600 31.303 2.297 17577 12236 1 15 . 1 1 16 16 VAL H H 16 8.420 8.420 8.023 0.397 17577 12237 1 15 . 1 1 17 17 ALA N N 17 122.900 122.900 120.874 2.026 17577 12238 1 15 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.880 0.390 17577 12239 1 15 . 1 1 17 17 ALA C C 17 174.200 174.200 174.892 -0.692 17577 12240 1 15 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.189 0.911 17577 12241 1 15 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.139 2.961 17577 12242 1 15 . 1 1 17 17 ALA H H 17 7.590 7.590 7.222 0.368 17577 12243 1 15 . 1 1 18 18 LEU N N 18 118.000 118.000 118.359 -0.359 17577 12244 1 15 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.682 -0.242 17577 12245 1 15 . 1 1 18 18 LEU C C 18 176.100 176.100 175.175 0.925 17577 12246 1 15 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.226 1.774 17577 12247 1 15 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.535 4.265 17577 12248 1 15 . 1 1 18 18 LEU H H 18 8.570 8.570 8.180 0.390 17577 12249 1 15 . 1 1 19 19 ALA N N 19 120.300 120.300 119.873 0.427 17577 12250 1 15 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.270 0.160 17577 12251 1 15 . 1 1 19 19 ALA C C 19 174.400 174.400 176.193 -1.793 17577 12252 1 15 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.544 1.155 17577 12253 1 15 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.533 0.567 17577 12254 1 15 . 1 1 19 19 ALA H H 19 8.360 8.360 8.808 -0.448 17577 12255 1 15 . 1 1 20 20 SER N N 20 114.200 114.200 115.957 -1.757 17577 12256 1 15 . 1 1 20 20 SER HA H 20 3.890 3.890 4.870 -0.980 17577 12257 1 15 . 1 1 20 20 SER C C 20 170.700 170.700 172.534 -1.834 17577 12258 1 15 . 1 1 20 20 SER CA C 20 57.200 57.200 57.409 -0.209 17577 12259 1 15 . 1 1 20 20 SER CB C 20 64.200 64.200 65.402 -1.202 17577 12260 1 15 . 1 1 20 20 SER H H 20 7.450 7.450 8.904 -1.454 17577 12261 1 15 . 1 1 21 21 ASN N N 21 117.500 117.500 117.020 0.480 17577 12262 1 15 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.727 0.493 17577 12263 1 15 . 1 1 21 21 ASN C C 21 176.500 176.500 174.619 1.881 17577 12264 1 15 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.145 -0.645 17577 12265 1 15 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.587 -0.287 17577 12266 1 15 . 1 1 21 21 ASN H H 21 7.980 7.980 8.534 -0.554 17577 12267 1 15 . 1 1 22 22 THR N N 22 112.100 112.100 118.361 -6.261 17577 12268 1 15 . 1 1 22 22 THR HA H 22 4.420 4.420 3.779 0.641 17577 12269 1 15 . 1 1 22 22 THR C C 22 174.800 174.800 174.772 0.028 17577 12270 1 15 . 1 1 22 22 THR CA C 22 63.200 63.200 62.205 0.995 17577 12271 1 15 . 1 1 22 22 THR CB C 22 71.800 71.800 68.691 3.109 17577 12272 1 15 . 1 1 22 22 THR H H 22 8.140 8.140 7.290 0.850 17577 12273 1 15 . 1 1 23 23 GLU N N 23 122.700 122.700 129.561 -6.861 17577 12274 1 15 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.784 0.966 17577 12275 1 15 . 1 1 23 23 GLU C C 23 178.800 178.800 178.266 0.534 17577 12276 1 15 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.474 1.826 17577 12277 1 15 . 1 1 23 23 GLU CB C 23 30.300 30.300 28.943 1.357 17577 12278 1 15 . 1 1 23 23 GLU H H 23 8.980 8.980 8.415 0.565 17577 12279 1 15 . 1 1 24 24 PHE N N 24 118.200 118.200 117.650 0.550 17577 12280 1 15 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.143 -0.163 17577 12281 1 15 . 1 1 24 24 PHE C C 24 175.900 175.900 177.919 -2.019 17577 12282 1 15 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.386 2.514 17577 12283 1 15 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.058 3.642 17577 12284 1 15 . 1 1 24 24 PHE H H 24 8.610 8.610 6.394 2.216 17577 12285 1 15 . 1 1 25 25 PHE N N 25 119.000 119.000 116.807 2.193 17577 12286 1 15 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.487 -0.647 17577 12287 1 15 . 1 1 25 25 PHE C C 25 176.500 176.500 177.927 -1.427 17577 12288 1 15 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.528 5.272 17577 12289 1 15 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.801 2.599 17577 12290 1 15 . 1 1 25 25 PHE H H 25 7.730 7.730 7.057 0.673 17577 12291 1 15 . 1 1 26 26 LEU N N 26 115.900 115.900 121.471 -5.571 17577 12292 1 15 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.024 -0.294 17577 12293 1 15 . 1 1 26 26 LEU C C 26 179.200 179.200 178.380 0.820 17577 12294 1 15 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.996 0.704 17577 12295 1 15 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.694 0.306 17577 12296 1 15 . 1 1 26 26 LEU H H 26 8.380 8.380 8.789 -0.409 17577 12297 1 15 . 1 1 27 27 ARG N N 27 116.900 116.900 119.113 -2.213 17577 12298 1 15 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.005 0.105 17577 12299 1 15 . 1 1 27 27 ARG C C 27 178.400 178.400 177.947 0.453 17577 12300 1 15 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.325 -0.125 17577 12301 1 15 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.243 1.857 17577 12302 1 15 . 1 1 27 27 ARG H H 27 7.720 7.720 8.478 -0.758 17577 12303 1 15 . 1 1 28 28 GLU N N 28 116.000 116.000 117.723 -1.723 17577 12304 1 15 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.302 0.058 17577 12305 1 15 . 1 1 28 28 GLU C C 28 178.200 178.200 179.009 -0.809 17577 12306 1 15 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.734 -2.034 17577 12307 1 15 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.154 0.746 17577 12308 1 15 . 1 1 28 28 GLU H H 28 7.660 7.660 7.656 0.004 17577 12309 1 15 . 1 1 29 29 LYS N N 29 120.700 120.700 120.121 0.579 17577 12310 1 15 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.064 0.076 17577 12311 1 15 . 1 1 29 29 LYS C C 29 177.900 177.900 179.074 -1.174 17577 12312 1 15 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.591 0.309 17577 12313 1 15 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.296 -0.896 17577 12314 1 15 . 1 1 29 29 LYS H H 29 7.910 7.910 8.752 -0.842 17577 12315 1 15 . 1 1 30 30 ASP N N 30 118.800 118.800 117.068 1.732 17577 12316 1 15 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.474 -0.084 17577 12317 1 15 . 1 1 30 30 ASP C C 30 177.000 177.000 177.182 -0.182 17577 12318 1 15 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.284 0.916 17577 12319 1 15 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.818 -0.218 17577 12320 1 15 . 1 1 30 30 ASP H H 30 8.390 8.390 7.929 0.461 17577 12321 1 15 . 1 1 31 31 LYS N N 31 118.000 118.000 115.934 2.066 17577 12322 1 15 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.477 -0.087 17577 12323 1 15 . 1 1 31 31 LYS C C 31 177.200 177.200 176.781 0.419 17577 12324 1 15 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.234 0.766 17577 12325 1 15 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.020 1.180 17577 12326 1 15 . 1 1 31 31 LYS H H 31 8.110 8.110 8.146 -0.036 17577 12327 1 15 . 1 1 32 32 MET N N 32 120.300 120.300 117.683 2.617 17577 12328 1 15 . 1 1 32 32 MET HA H 32 4.520 4.520 4.550 -0.030 17577 12329 1 15 . 1 1 32 32 MET C C 32 176.200 176.200 175.277 0.923 17577 12330 1 15 . 1 1 32 32 MET CA C 32 58.000 58.000 55.809 2.191 17577 12331 1 15 . 1 1 32 32 MET CB C 32 33.500 33.500 33.680 -0.180 17577 12332 1 15 . 1 1 32 32 MET H H 32 7.240 7.240 7.466 -0.226 17577 12333 1 15 . 1 1 33 33 LYS N N 33 120.200 120.200 117.595 2.605 17577 12334 1 15 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.510 0.190 17577 12335 1 15 . 1 1 33 33 LYS C C 33 173.000 173.000 176.294 -3.294 17577 12336 1 15 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.174 1.926 17577 12337 1 15 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.214 4.886 17577 12338 1 15 . 1 1 33 33 LYS H H 33 8.560 8.560 8.190 0.370 17577 12339 1 15 . 1 1 34 34 MET N N 34 118.300 118.300 120.019 -1.719 17577 12340 1 15 . 1 1 34 34 MET HA H 34 4.080 4.080 4.232 -0.152 17577 12341 1 15 . 1 1 34 34 MET C C 34 173.800 173.800 175.325 -1.525 17577 12342 1 15 . 1 1 34 34 MET CA C 34 59.500 59.500 56.686 2.814 17577 12343 1 15 . 1 1 34 34 MET CB C 34 35.700 35.700 33.452 2.248 17577 12344 1 15 . 1 1 34 34 MET H H 34 8.370 8.370 8.244 0.126 17577 12345 1 15 . 1 1 35 35 ALA N N 35 126.000 126.000 126.211 -0.211 17577 12346 1 15 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.713 0.547 17577 12347 1 15 . 1 1 35 35 ALA C C 35 176.100 176.100 175.839 0.261 17577 12348 1 15 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.466 0.134 17577 12349 1 15 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.179 1.621 17577 12350 1 15 . 1 1 35 35 ALA H H 35 7.360 7.360 8.073 -0.713 17577 12351 1 15 . 1 1 36 36 MET N N 36 117.100 117.100 115.242 1.858 17577 12352 1 15 . 1 1 36 36 MET HA H 36 5.280 5.280 5.669 -0.389 17577 12353 1 15 . 1 1 36 36 MET C C 36 172.600 172.600 174.659 -2.059 17577 12354 1 15 . 1 1 36 36 MET CA C 36 56.100 56.100 52.371 3.729 17577 12355 1 15 . 1 1 36 36 MET CB C 36 39.600 39.600 36.223 3.377 17577 12356 1 15 . 1 1 36 36 MET H H 36 8.920 8.920 9.031 -0.111 17577 12357 1 15 . 1 1 37 37 ALA N N 37 121.700 121.700 120.720 0.980 17577 12358 1 15 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.792 0.638 17577 12359 1 15 . 1 1 37 37 ALA C C 37 175.400 175.400 174.773 0.627 17577 12360 1 15 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.817 -0.617 17577 12361 1 15 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.852 1.548 17577 12362 1 15 . 1 1 37 37 ALA H H 37 8.980 8.980 9.067 -0.087 17577 12363 1 15 . 1 1 38 38 ARG N N 38 120.400 120.400 120.575 -0.175 17577 12364 1 15 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.943 0.207 17577 12365 1 15 . 1 1 38 38 ARG C C 38 174.900 174.900 173.918 0.982 17577 12366 1 15 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.220 -0.020 17577 12367 1 15 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.959 0.640 17577 12368 1 15 . 1 1 38 38 ARG H H 38 9.180 9.180 8.017 1.163 17577 12369 1 15 . 1 1 39 39 ILE N N 39 126.000 126.000 124.661 1.339 17577 12370 1 15 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.726 0.194 17577 12371 1 15 . 1 1 39 39 ILE C C 39 175.100 175.100 174.312 0.788 17577 12372 1 15 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.000 1.200 17577 12373 1 15 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.304 0.096 17577 12374 1 15 . 1 1 39 39 ILE H H 39 8.930 8.930 8.540 0.390 17577 12375 1 15 . 1 1 40 40 SER N N 40 121.700 121.700 121.858 -0.158 17577 12376 1 15 . 1 1 40 40 SER HA H 40 4.630 4.630 4.848 -0.218 17577 12377 1 15 . 1 1 40 40 SER CA C 40 57.900 57.900 56.798 1.101 17577 12378 1 15 . 1 1 40 40 SER CB C 40 66.300 66.300 66.128 0.172 17577 12379 1 15 . 1 1 40 40 SER H H 40 8.780 8.780 8.967 -0.187 17577 12380 1 15 . 1 1 41 41 PHE N N 41 122.300 122.300 124.062 -1.762 17577 12381 1 15 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.585 0.065 17577 12382 1 15 . 1 1 41 41 PHE C C 41 175.900 175.900 175.469 0.431 17577 12383 1 15 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.915 2.185 17577 12384 1 15 . 1 1 41 41 PHE CB C 41 40.700 40.700 39.276 1.424 17577 12385 1 15 . 1 1 41 41 PHE H H 41 9.080 9.080 8.861 0.219 17577 12386 1 15 . 1 1 42 42 LEU N N 42 125.100 125.100 125.829 -0.729 17577 12387 1 15 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.364 0.266 17577 12388 1 15 . 1 1 42 42 LEU C C 42 176.400 176.400 177.349 -0.949 17577 12389 1 15 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.225 0.275 17577 12390 1 15 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.925 0.875 17577 12391 1 15 . 1 1 42 42 LEU H H 42 8.540 8.540 7.946 0.594 17577 12392 1 15 . 1 1 43 43 GLY N N 43 108.700 108.700 104.304 4.396 17577 12393 1 15 . 1 1 43 43 GLY C C 43 173.700 173.700 173.914 -0.214 17577 12394 1 15 . 1 1 43 43 GLY CA C 43 45.900 45.900 45.048 0.852 17577 12395 1 15 . 1 1 43 43 GLY H H 43 8.310 8.310 7.815 0.495 17577 12396 1 15 . 1 1 44 44 GLU N N 44 120.300 120.300 121.002 -0.702 17577 12397 1 15 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.873 0.237 17577 12398 1 15 . 1 1 44 44 GLU C C 44 177.200 177.200 176.191 1.009 17577 12399 1 15 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.058 0.542 17577 12400 1 15 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.686 1.114 17577 12401 1 15 . 1 1 44 44 GLU H H 44 8.900 8.900 8.785 0.115 17577 12402 1 15 . 1 1 45 45 ASP N N 45 115.200 115.200 114.120 1.080 17577 12403 1 15 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.918 -0.048 17577 12404 1 15 . 1 1 45 45 ASP C C 45 174.500 174.500 176.201 -1.701 17577 12405 1 15 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.858 0.942 17577 12406 1 15 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.403 2.297 17577 12407 1 15 . 1 1 45 45 ASP H H 45 8.500 8.500 8.165 0.335 17577 12408 1 15 . 1 1 46 46 GLU N N 46 117.800 117.800 119.316 -1.516 17577 12409 1 15 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.952 0.618 17577 12410 1 15 . 1 1 46 46 GLU C C 46 174.800 174.800 173.502 1.298 17577 12411 1 15 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.516 -0.216 17577 12412 1 15 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.884 2.116 17577 12413 1 15 . 1 1 46 46 GLU H H 46 7.450 7.450 8.311 -0.861 17577 12414 1 15 . 1 1 47 47 LEU N N 47 124.200 124.200 120.966 3.234 17577 12415 1 15 . 1 1 47 47 LEU HA H 47 4.880 4.880 4.930 -0.050 17577 12416 1 15 . 1 1 47 47 LEU C C 47 173.900 173.900 174.166 -0.266 17577 12417 1 15 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.029 2.271 17577 12418 1 15 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.585 0.515 17577 12419 1 15 . 1 1 47 47 LEU H H 47 9.160 9.160 8.538 0.622 17577 12420 1 15 . 1 1 48 48 LYS N N 48 123.800 123.800 121.340 2.460 17577 12421 1 15 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.361 0.589 17577 12422 1 15 . 1 1 48 48 LYS C C 48 174.300 174.300 174.124 0.176 17577 12423 1 15 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.440 0.560 17577 12424 1 15 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.774 1.026 17577 12425 1 15 . 1 1 48 48 LYS H H 48 9.020 9.020 8.571 0.449 17577 12426 1 15 . 1 1 49 49 VAL N N 49 126.600 126.600 125.903 0.697 17577 12427 1 15 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.635 -0.025 17577 12428 1 15 . 1 1 49 49 VAL C C 49 173.800 173.800 173.540 0.260 17577 12429 1 15 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.730 1.570 17577 12430 1 15 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.031 -0.731 17577 12431 1 15 . 1 1 49 49 VAL H H 49 8.920 8.920 7.805 1.115 17577 12432 1 15 . 1 1 50 50 SER N N 50 120.900 120.900 122.579 -1.679 17577 12433 1 15 . 1 1 50 50 SER HA H 50 4.860 4.860 4.710 0.150 17577 12434 1 15 . 1 1 50 50 SER CA C 50 57.300 57.300 57.494 -0.194 17577 12435 1 15 . 1 1 50 50 SER CB C 50 65.100 65.100 65.311 -0.211 17577 12436 1 15 . 1 1 50 50 SER H H 50 8.360 8.360 8.888 -0.528 17577 12437 1 15 . 1 1 51 51 TYR N N 51 122.000 122.000 123.449 -1.449 17577 12438 1 15 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.687 0.163 17577 12439 1 15 . 1 1 51 51 TYR C C 51 176.800 176.800 174.000 2.800 17577 12440 1 15 . 1 1 51 51 TYR CA C 51 58.200 58.200 57.041 1.159 17577 12441 1 15 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.572 2.028 17577 12442 1 15 . 1 1 51 51 TYR H H 51 8.990 8.990 8.275 0.715 17577 12443 1 15 . 1 1 52 52 ALA N N 52 124.000 124.000 126.316 -2.316 17577 12444 1 15 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.917 -0.047 17577 12445 1 15 . 1 1 52 52 ALA C C 52 174.800 174.800 174.952 -0.152 17577 12446 1 15 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.833 2.167 17577 12447 1 15 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.282 0.518 17577 12448 1 15 . 1 1 52 52 ALA H H 52 8.640 8.640 9.219 -0.579 17577 12449 1 15 . 1 1 53 53 VAL N N 53 124.300 124.300 124.136 0.164 17577 12450 1 15 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.570 0.200 17577 12451 1 15 . 1 1 53 53 VAL C C 53 174.200 174.200 173.994 0.206 17577 12452 1 15 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.817 0.483 17577 12453 1 15 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.223 1.277 17577 12454 1 15 . 1 1 53 53 VAL H H 53 9.120 9.120 7.997 1.123 17577 12455 1 15 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.576 0.124 17577 12456 1 15 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.827 2.873 17577 12457 1 15 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.467 0.433 17577 12458 1 15 . 1 1 55 55 LYS N N 55 121.100 121.100 119.353 1.747 17577 12459 1 15 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.692 0.238 17577 12460 1 15 . 1 1 55 55 LYS CA C 55 54.600 54.600 55.005 -0.405 17577 12461 1 15 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.832 -0.432 17577 12462 1 15 . 1 1 55 55 LYS H H 55 8.040 8.040 8.099 -0.059 17577 12463 1 15 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.259 0.021 17577 12464 1 15 . 1 1 56 56 PRO C C 56 177.200 177.200 176.528 0.672 17577 12465 1 15 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.694 1.706 17577 12466 1 15 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.700 0.600 17577 12467 1 15 . 1 1 57 57 ASN N N 57 114.200 114.200 114.420 -0.220 17577 12468 1 15 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.764 -0.044 17577 12469 1 15 . 1 1 57 57 ASN C C 57 174.900 174.900 174.474 0.426 17577 12470 1 15 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.779 1.221 17577 12471 1 15 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.918 0.382 17577 12472 1 15 . 1 1 57 57 ASN H H 57 8.370 8.370 7.997 0.373 17577 12473 1 15 . 1 1 58 58 GLY N N 58 106.500 106.500 107.844 -1.344 17577 12474 1 15 . 1 1 58 58 GLY C C 58 172.000 172.000 174.482 -2.482 17577 12475 1 15 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.590 2.410 17577 12476 1 15 . 1 1 58 58 GLY H H 58 7.810 7.810 8.142 -0.332 17577 12477 1 15 . 1 1 60 60 ARG N N 60 132.300 132.300 124.353 7.947 17577 12478 1 15 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.681 -0.101 17577 12479 1 15 . 1 1 60 60 ARG C C 60 174.000 174.000 174.076 -0.076 17577 12480 1 15 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.774 0.726 17577 12481 1 15 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.994 -0.594 17577 12482 1 15 . 1 1 60 60 ARG H H 60 9.120 9.120 8.414 0.706 17577 12483 1 15 . 1 1 61 61 LYS N N 61 126.200 126.200 126.454 -0.254 17577 12484 1 15 . 1 1 61 61 LYS HA H 61 5.520 5.520 4.999 0.521 17577 12485 1 15 . 1 1 61 61 LYS C C 61 175.900 175.900 174.988 0.912 17577 12486 1 15 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.163 0.937 17577 12487 1 15 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.117 0.983 17577 12488 1 15 . 1 1 61 61 LYS H H 61 8.500 8.500 8.445 0.055 17577 12489 1 15 . 1 1 62 62 TRP N N 62 121.900 121.900 125.345 -3.445 17577 12490 1 15 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.941 -0.081 17577 12491 1 15 . 1 1 62 62 TRP C C 62 171.900 171.900 173.572 -1.672 17577 12492 1 15 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.498 1.202 17577 12493 1 15 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.570 0.730 17577 12494 1 15 . 1 1 62 62 TRP H H 62 8.070 8.070 8.895 -0.825 17577 12495 1 15 . 1 1 63 63 GLU N N 63 117.100 117.100 118.872 -1.772 17577 12496 1 15 . 1 1 63 63 GLU HA H 63 5.610 5.610 3.991 1.619 17577 12497 1 15 . 1 1 63 63 GLU C C 63 175.500 175.500 174.080 1.420 17577 12498 1 15 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.417 0.783 17577 12499 1 15 . 1 1 63 63 GLU CB C 63 35.100 35.100 31.896 3.204 17577 12500 1 15 . 1 1 63 63 GLU H H 63 8.450 8.450 7.995 0.455 17577 12501 1 15 . 1 1 64 64 THR N N 64 117.400 117.400 116.177 1.223 17577 12502 1 15 . 1 1 64 64 THR HA H 64 4.600 4.600 4.169 0.431 17577 12503 1 15 . 1 1 64 64 THR C C 64 171.800 171.800 172.536 -0.736 17577 12504 1 15 . 1 1 64 64 THR CA C 64 63.000 63.000 61.270 1.730 17577 12505 1 15 . 1 1 64 64 THR CB C 64 72.700 72.700 72.041 0.659 17577 12506 1 15 . 1 1 64 64 THR H H 64 8.980 8.980 7.870 1.110 17577 12507 1 15 . 1 1 65 65 THR N N 65 119.100 119.100 118.912 0.188 17577 12508 1 15 . 1 1 65 65 THR HA H 65 5.260 5.260 4.388 0.872 17577 12509 1 15 . 1 1 65 65 THR C C 65 173.700 173.700 173.409 0.291 17577 12510 1 15 . 1 1 65 65 THR CA C 65 62.300 62.300 61.950 0.350 17577 12511 1 15 . 1 1 65 65 THR CB C 65 71.100 71.100 70.453 0.647 17577 12512 1 15 . 1 1 65 65 THR H H 65 8.380 8.380 8.333 0.047 17577 12513 1 15 . 1 1 66 66 PHE N N 66 123.400 123.400 124.961 -1.561 17577 12514 1 15 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.706 0.124 17577 12515 1 15 . 1 1 66 66 PHE C C 66 174.200 174.200 174.599 -0.399 17577 12516 1 15 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.687 3.413 17577 12517 1 15 . 1 1 66 66 PHE CB C 66 45.600 45.600 39.934 5.666 17577 12518 1 15 . 1 1 66 66 PHE H H 66 9.590 9.590 8.641 0.949 17577 12519 1 15 . 1 1 67 67 LYS N N 67 119.700 119.700 122.283 -2.583 17577 12520 1 15 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.880 0.640 17577 12521 1 15 . 1 1 67 67 LYS C C 67 176.500 176.500 176.382 0.118 17577 12522 1 15 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.812 0.688 17577 12523 1 15 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.258 1.042 17577 12524 1 15 . 1 1 67 67 LYS H H 67 8.880 8.880 8.293 0.587 17577 12525 1 15 . 1 1 68 68 LYS N N 68 129.100 129.100 120.435 8.665 17577 12526 1 15 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.012 0.868 17577 12527 1 15 . 1 1 68 68 LYS C C 68 177.400 177.400 175.181 2.219 17577 12528 1 15 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.334 1.366 17577 12529 1 15 . 1 1 68 68 LYS CB C 68 35.300 35.300 31.613 3.687 17577 12530 1 15 . 1 1 68 68 LYS H H 68 8.850 8.850 8.703 0.147 17577 12531 1 15 . 1 1 69 69 THR N N 69 118.500 118.500 113.038 5.462 17577 12532 1 15 . 1 1 69 69 THR HA H 69 4.710 4.710 4.891 -0.180 17577 12533 1 15 . 1 1 69 69 THR C C 69 174.600 174.600 174.227 0.373 17577 12534 1 15 . 1 1 69 69 THR CA C 69 61.900 61.900 61.273 0.628 17577 12535 1 15 . 1 1 69 69 THR CB C 69 70.800 70.800 68.837 1.963 17577 12536 1 15 . 1 1 69 69 THR H H 69 8.720 8.720 7.995 0.725 17577 12537 1 15 . 1 1 70 70 SER N N 70 111.800 111.800 120.247 -8.447 17577 12538 1 15 . 1 1 70 70 SER HA H 70 4.420 4.420 4.841 -0.421 17577 12539 1 15 . 1 1 70 70 SER C C 70 174.500 174.500 174.636 -0.136 17577 12540 1 15 . 1 1 70 70 SER CA C 70 59.300 59.300 57.898 1.402 17577 12541 1 15 . 1 1 70 70 SER CB C 70 64.400 64.400 63.739 0.661 17577 12542 1 15 . 1 1 70 70 SER H H 70 8.350 8.350 8.308 0.042 17577 12543 1 15 . 1 1 71 71 ASP N N 71 121.100 121.100 124.002 -2.902 17577 12544 1 15 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.368 0.012 17577 12545 1 15 . 1 1 71 71 ASP C C 71 175.600 175.600 176.616 -1.016 17577 12546 1 15 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.987 -0.887 17577 12547 1 15 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.897 2.103 17577 12548 1 15 . 1 1 71 71 ASP H H 71 7.960 7.960 8.467 -0.507 17577 12549 1 15 . 1 1 72 72 ASP N N 72 121.000 121.000 120.145 0.855 17577 12550 1 15 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.667 -0.217 17577 12551 1 15 . 1 1 72 72 ASP C C 72 175.900 175.900 176.506 -0.606 17577 12552 1 15 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.090 2.010 17577 12553 1 15 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.797 3.303 17577 12554 1 15 . 1 1 72 72 ASP H H 72 8.500 8.500 8.368 0.132 17577 12555 1 15 . 1 1 73 73 GLY N N 73 109.100 109.100 112.164 -3.064 17577 12556 1 15 . 1 1 73 73 GLY C C 73 172.800 172.800 173.996 -1.196 17577 12557 1 15 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.971 -0.471 17577 12558 1 15 . 1 1 73 73 GLY H H 73 8.200 8.200 7.918 0.282 17577 12559 1 15 . 1 1 74 74 GLU N N 74 123.300 123.300 124.927 -1.627 17577 12560 1 15 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.791 -0.021 17577 12561 1 15 . 1 1 74 74 GLU C C 74 173.600 173.600 174.639 -1.039 17577 12562 1 15 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.411 -0.011 17577 12563 1 15 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.721 -0.121 17577 12564 1 15 . 1 1 74 74 GLU H H 74 8.780 8.780 8.111 0.669 17577 12565 1 15 . 1 1 75 75 VAL N N 75 123.500 123.500 122.229 1.271 17577 12566 1 15 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.460 0.580 17577 12567 1 15 . 1 1 75 75 VAL C C 75 174.100 174.100 174.036 0.064 17577 12568 1 15 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.240 2.260 17577 12569 1 15 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.643 -1.643 17577 12570 1 15 . 1 1 75 75 VAL H H 75 7.870 7.870 8.329 -0.459 17577 12571 1 15 . 1 1 76 76 TYR N N 76 125.000 125.000 124.568 0.432 17577 12572 1 15 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.724 0.516 17577 12573 1 15 . 1 1 76 76 TYR C C 76 174.300 174.300 173.044 1.256 17577 12574 1 15 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.256 1.544 17577 12575 1 15 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.129 2.571 17577 12576 1 15 . 1 1 76 76 TYR H H 76 9.360 9.360 8.662 0.698 17577 12577 1 15 . 1 1 77 77 TYR N N 77 120.500 120.500 127.408 -6.908 17577 12578 1 15 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.120 1.760 17577 12579 1 15 . 1 1 77 77 TYR C C 77 174.600 174.600 173.483 1.117 17577 12580 1 15 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.517 1.484 17577 12581 1 15 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.656 2.944 17577 12582 1 15 . 1 1 77 77 TYR H H 77 9.480 9.480 8.219 1.261 17577 12583 1 15 . 1 1 78 78 SER N N 78 125.100 125.100 122.418 2.682 17577 12584 1 15 . 1 1 78 78 SER HA H 78 4.830 4.830 4.680 0.150 17577 12585 1 15 . 1 1 78 78 SER C C 78 174.300 174.300 173.755 0.545 17577 12586 1 15 . 1 1 78 78 SER CA C 78 55.600 55.600 56.231 -0.631 17577 12587 1 15 . 1 1 78 78 SER CB C 78 64.400 64.400 63.517 0.883 17577 12588 1 15 . 1 1 78 78 SER H H 78 8.570 8.570 7.686 0.884 17577 12589 1 15 . 1 1 79 79 GLU N N 79 130.000 130.000 126.900 3.100 17577 12590 1 15 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.880 0.100 17577 12591 1 15 . 1 1 79 79 GLU C C 79 178.600 178.600 177.035 1.565 17577 12592 1 15 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.210 0.890 17577 12593 1 15 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.764 0.736 17577 12594 1 15 . 1 1 79 79 GLU H H 79 8.670 8.670 8.803 -0.133 17577 12595 1 15 . 1 1 80 80 GLU N N 80 118.900 118.900 118.594 0.306 17577 12596 1 15 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.098 -0.098 17577 12597 1 15 . 1 1 80 80 GLU C C 80 177.700 177.700 176.801 0.899 17577 12598 1 15 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.457 1.543 17577 12599 1 15 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.342 1.158 17577 12600 1 15 . 1 1 80 80 GLU H H 80 8.560 8.560 8.479 0.081 17577 12601 1 15 . 1 1 81 81 ALA N N 81 117.600 117.600 120.087 -2.487 17577 12602 1 15 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.365 0.025 17577 12603 1 15 . 1 1 81 81 ALA C C 81 176.000 176.000 176.649 -0.649 17577 12604 1 15 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.239 1.161 17577 12605 1 15 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.881 1.719 17577 12606 1 15 . 1 1 81 81 ALA H H 81 7.410 7.410 7.802 -0.392 17577 12607 1 15 . 1 1 82 82 LYS N N 82 118.300 118.300 116.467 1.833 17577 12608 1 15 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.775 0.095 17577 12609 1 15 . 1 1 82 82 LYS C C 82 175.100 175.100 174.569 0.531 17577 12610 1 15 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.190 0.010 17577 12611 1 15 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.692 0.608 17577 12612 1 15 . 1 1 82 82 LYS H H 82 7.830 7.830 7.815 0.015 17577 12613 1 15 . 1 1 83 83 LYS N N 83 118.400 118.400 118.681 -0.281 17577 12614 1 15 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.790 0.650 17577 12615 1 15 . 1 1 83 83 LYS C C 83 172.400 172.400 174.021 -1.621 17577 12616 1 15 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.219 0.281 17577 12617 1 15 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.796 3.304 17577 12618 1 15 . 1 1 83 83 LYS H H 83 7.150 7.150 7.156 -0.006 17577 12619 1 15 . 1 1 84 84 LYS N N 84 130.000 130.000 124.780 5.220 17577 12620 1 15 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.016 1.664 17577 12621 1 15 . 1 1 84 84 LYS C C 84 174.900 174.900 173.895 1.005 17577 12622 1 15 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.022 1.678 17577 12623 1 15 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.203 1.797 17577 12624 1 15 . 1 1 84 84 LYS H H 84 9.540 9.540 8.473 1.067 17577 12625 1 15 . 1 1 85 85 VAL N N 85 121.100 121.100 117.845 3.255 17577 12626 1 15 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.079 -0.099 17577 12627 1 15 . 1 1 85 85 VAL C C 85 173.000 173.000 174.177 -1.177 17577 12628 1 15 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.993 1.407 17577 12629 1 15 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.797 0.903 17577 12630 1 15 . 1 1 85 85 VAL H H 85 9.510 9.510 7.841 1.669 17577 12631 1 15 . 1 1 86 86 GLU N N 86 123.700 123.700 127.580 -3.880 17577 12632 1 15 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.862 0.458 17577 12633 1 15 . 1 1 86 86 GLU C C 86 175.800 175.800 175.092 0.708 17577 12634 1 15 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.822 0.878 17577 12635 1 15 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.566 0.634 17577 12636 1 15 . 1 1 86 86 GLU H H 86 8.830 8.830 8.553 0.277 17577 12637 1 15 . 1 1 87 87 VAL N N 87 125.400 125.400 128.119 -2.719 17577 12638 1 15 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.007 0.163 17577 12639 1 15 . 1 1 87 87 VAL C C 87 176.000 176.000 174.522 1.478 17577 12640 1 15 . 1 1 87 87 VAL CA C 87 63.500 63.500 64.123 -0.623 17577 12641 1 15 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.093 -0.093 17577 12642 1 15 . 1 1 87 87 VAL H H 87 8.760 8.760 8.608 0.152 17577 12643 1 15 . 1 1 88 88 LEU N N 88 128.000 128.000 129.059 -1.059 17577 12644 1 15 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.647 -0.257 17577 12645 1 15 . 1 1 88 88 LEU C C 88 177.200 177.200 176.825 0.375 17577 12646 1 15 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.447 1.553 17577 12647 1 15 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.570 1.630 17577 12648 1 15 . 1 1 88 88 LEU H H 88 8.990 8.990 8.298 0.692 17577 12649 1 15 . 1 1 89 89 ASP N N 89 113.900 113.900 116.790 -2.890 17577 12650 1 15 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.715 0.065 17577 12651 1 15 . 1 1 89 89 ASP C C 89 173.900 173.900 174.041 -0.141 17577 12652 1 15 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.732 1.168 17577 12653 1 15 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.388 2.212 17577 12654 1 15 . 1 1 89 89 ASP H H 89 7.140 7.140 8.092 -0.952 17577 12655 1 15 . 1 1 90 90 THR N N 90 119.500 119.500 119.130 0.370 17577 12656 1 15 . 1 1 90 90 THR HA H 90 3.800 3.800 4.344 -0.544 17577 12657 1 15 . 1 1 90 90 THR C C 90 169.800 169.800 172.214 -2.414 17577 12658 1 15 . 1 1 90 90 THR CA C 90 61.500 61.500 62.280 -0.780 17577 12659 1 15 . 1 1 90 90 THR CB C 90 69.200 69.200 70.731 -1.531 17577 12660 1 15 . 1 1 90 90 THR H H 90 8.070 8.070 8.395 -0.325 17577 12661 1 15 . 1 1 91 91 ASP N N 91 122.400 122.400 126.043 -3.643 17577 12662 1 15 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.472 0.378 17577 12663 1 15 . 1 1 91 91 ASP C C 91 176.800 176.800 175.764 1.036 17577 12664 1 15 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.017 0.884 17577 12665 1 15 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.762 -0.862 17577 12666 1 15 . 1 1 91 91 ASP H H 91 6.790 6.790 8.053 -1.263 17577 12667 1 15 . 1 1 92 92 TYR N N 92 115.100 115.100 115.959 -0.859 17577 12668 1 15 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.818 -0.308 17577 12669 1 15 . 1 1 92 92 TYR C C 92 173.900 173.900 175.612 -1.712 17577 12670 1 15 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.454 3.846 17577 12671 1 15 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.515 1.085 17577 12672 1 15 . 1 1 92 92 TYR H H 92 9.420 9.420 7.285 2.135 17577 12673 1 15 . 1 1 93 93 LYS N N 93 112.300 112.300 118.393 -6.093 17577 12674 1 15 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.045 0.625 17577 12675 1 15 . 1 1 93 93 LYS C C 93 175.600 175.600 176.913 -1.313 17577 12676 1 15 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.373 1.127 17577 12677 1 15 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.766 5.034 17577 12678 1 15 . 1 1 93 93 LYS H H 93 8.080 8.080 7.972 0.108 17577 12679 1 15 . 1 1 94 94 SER N N 94 120.300 120.300 109.444 10.856 17577 12680 1 15 . 1 1 94 94 SER HA H 94 4.820 4.820 4.527 0.293 17577 12681 1 15 . 1 1 94 94 SER CA C 94 61.200 61.200 59.069 2.131 17577 12682 1 15 . 1 1 94 94 SER CB C 94 68.800 68.800 64.695 4.104 17577 12683 1 15 . 1 1 94 94 SER H H 94 11.420 11.420 7.672 3.748 17577 12684 1 15 . 1 1 95 95 TYR N N 95 122.700 122.700 116.448 6.252 17577 12685 1 15 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.115 1.035 17577 12686 1 15 . 1 1 95 95 TYR C C 95 173.500 173.500 172.638 0.862 17577 12687 1 15 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.901 1.699 17577 12688 1 15 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.662 2.938 17577 12689 1 15 . 1 1 95 95 TYR H H 95 8.490 8.490 7.160 1.330 17577 12690 1 15 . 1 1 96 96 ALA N N 96 120.900 120.900 120.705 0.195 17577 12691 1 15 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.768 -0.218 17577 12692 1 15 . 1 1 96 96 ALA C C 96 174.700 174.700 175.077 -0.377 17577 12693 1 15 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.551 1.949 17577 12694 1 15 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.188 1.512 17577 12695 1 15 . 1 1 96 96 ALA H H 96 9.010 9.010 8.300 0.710 17577 12696 1 15 . 1 1 97 97 VAL N N 97 121.700 121.700 123.688 -1.988 17577 12697 1 15 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.443 -0.423 17577 12698 1 15 . 1 1 97 97 VAL C C 97 174.300 174.300 174.420 -0.120 17577 12699 1 15 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.401 2.800 17577 12700 1 15 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.935 -0.335 17577 12701 1 15 . 1 1 97 97 VAL H H 97 9.310 9.310 9.092 0.218 17577 12702 1 15 . 1 1 98 98 ILE N N 98 129.600 129.600 125.845 3.755 17577 12703 1 15 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.762 0.288 17577 12704 1 15 . 1 1 98 98 ILE C C 98 174.000 174.000 173.327 0.673 17577 12705 1 15 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.016 0.184 17577 12706 1 15 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.493 0.207 17577 12707 1 15 . 1 1 98 98 ILE H H 98 9.550 9.550 8.263 1.287 17577 12708 1 15 . 1 1 99 99 TYR N N 99 128.100 128.100 129.493 -1.393 17577 12709 1 15 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.874 0.386 17577 12710 1 15 . 1 1 99 99 TYR C C 99 173.700 173.700 173.555 0.145 17577 12711 1 15 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.935 0.765 17577 12712 1 15 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.542 2.658 17577 12713 1 15 . 1 1 99 99 TYR H H 99 9.550 9.550 8.301 1.249 17577 12714 1 15 . 1 1 100 100 ALA N N 100 134.400 134.400 131.726 2.674 17577 12715 1 15 . 1 1 100 100 ALA HA H 100 5.720 5.720 4.886 0.834 17577 12716 1 15 . 1 1 100 100 ALA C C 100 175.500 175.500 175.383 0.117 17577 12717 1 15 . 1 1 100 100 ALA CA C 100 51.400 51.400 50.171 1.229 17577 12718 1 15 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.465 3.435 17577 12719 1 15 . 1 1 100 100 ALA H H 100 9.610 9.610 8.788 0.822 17577 12720 1 15 . 1 1 101 101 THR N N 101 116.200 116.200 117.531 -1.331 17577 12721 1 15 . 1 1 101 101 THR HA H 101 5.450 5.450 4.710 0.740 17577 12722 1 15 . 1 1 101 101 THR C C 101 173.600 173.600 172.780 0.820 17577 12723 1 15 . 1 1 101 101 THR CA C 101 62.000 62.000 61.315 0.685 17577 12724 1 15 . 1 1 101 101 THR CB C 101 73.100 73.100 71.223 1.877 17577 12725 1 15 . 1 1 101 101 THR H H 101 9.430 9.430 8.351 1.079 17577 12726 1 15 . 1 1 102 102 ARG N N 102 125.700 125.700 128.377 -2.677 17577 12727 1 15 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.845 0.365 17577 12728 1 15 . 1 1 102 102 ARG C C 102 173.900 173.900 173.403 0.497 17577 12729 1 15 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.706 0.794 17577 12730 1 15 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.984 2.116 17577 12731 1 15 . 1 1 102 102 ARG H H 102 8.970 8.970 8.239 0.731 17577 12732 1 15 . 1 1 103 103 VAL N N 103 122.100 122.100 125.655 -3.555 17577 12733 1 15 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.747 0.023 17577 12734 1 15 . 1 1 103 103 VAL C C 103 175.700 175.700 173.987 1.713 17577 12735 1 15 . 1 1 103 103 VAL CA C 103 62.400 62.400 59.797 2.603 17577 12736 1 15 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.815 -1.415 17577 12737 1 15 . 1 1 103 103 VAL H H 103 7.870 7.870 8.142 -0.272 17577 12738 1 15 . 1 1 104 104 LYS N N 104 130.100 130.100 128.768 1.332 17577 12739 1 15 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.604 -0.144 17577 12740 1 15 . 1 1 104 104 LYS C C 104 175.400 175.400 175.184 0.216 17577 12741 1 15 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.235 1.765 17577 12742 1 15 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.675 1.725 17577 12743 1 15 . 1 1 104 104 LYS H H 104 8.980 8.980 9.013 -0.033 17577 12744 1 15 . 1 1 106 106 GLY N N 106 136.200 136.200 113.566 22.634 17577 12745 1 15 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.341 1.059 17577 12746 1 15 . 1 1 106 106 GLY H H 106 8.330 8.330 8.386 -0.056 17577 12747 1 15 . 1 1 107 107 ARG N N 107 121.300 121.300 121.078 0.222 17577 12748 1 15 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.694 -0.024 17577 12749 1 15 . 1 1 107 107 ARG C C 107 174.500 174.500 174.842 -0.342 17577 12750 1 15 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.863 0.537 17577 12751 1 15 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.093 0.108 17577 12752 1 15 . 1 1 107 107 ARG H H 107 7.880 7.880 7.929 -0.049 17577 12753 1 15 . 1 1 108 108 THR N N 108 118.800 118.800 118.380 0.420 17577 12754 1 15 . 1 1 108 108 THR HA H 108 4.490 4.490 4.597 -0.107 17577 12755 1 15 . 1 1 108 108 THR C C 108 173.400 173.400 173.505 -0.105 17577 12756 1 15 . 1 1 108 108 THR CA C 108 64.100 64.100 61.594 2.506 17577 12757 1 15 . 1 1 108 108 THR CB C 108 69.800 69.800 70.686 -0.886 17577 12758 1 15 . 1 1 108 108 THR H H 108 8.650 8.650 8.404 0.246 17577 12759 1 15 . 1 1 109 109 LEU N N 109 128.900 128.900 124.611 4.289 17577 12760 1 15 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.921 -0.191 17577 12761 1 15 . 1 1 109 109 LEU C C 109 175.700 175.700 174.092 1.608 17577 12762 1 15 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.453 -0.153 17577 12763 1 15 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.502 -0.002 17577 12764 1 15 . 1 1 109 109 LEU H H 109 9.220 9.220 8.526 0.694 17577 12765 1 15 . 1 1 110 110 HIS N N 110 116.200 116.200 117.966 -1.766 17577 12766 1 15 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.166 0.874 17577 12767 1 15 . 1 1 110 110 HIS C C 110 175.300 175.300 173.736 1.564 17577 12768 1 15 . 1 1 110 110 HIS CA C 110 55.300 55.300 53.955 1.345 17577 12769 1 15 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.725 1.775 17577 12770 1 15 . 1 1 110 110 HIS H H 110 8.490 8.490 8.200 0.290 17577 12771 1 15 . 1 1 111 111 MET N N 111 123.400 123.400 116.692 6.708 17577 12772 1 15 . 1 1 111 111 MET HA H 111 4.550 4.550 4.867 -0.317 17577 12773 1 15 . 1 1 111 111 MET C C 111 174.000 174.000 173.633 0.367 17577 12774 1 15 . 1 1 111 111 MET CA C 111 56.600 56.600 54.839 1.761 17577 12775 1 15 . 1 1 111 111 MET CB C 111 37.800 37.800 37.102 0.698 17577 12776 1 15 . 1 1 111 111 MET H H 111 9.090 9.090 8.982 0.108 17577 12777 1 15 . 1 1 112 112 MET N N 112 122.900 122.900 121.776 1.124 17577 12778 1 15 . 1 1 112 112 MET HA H 112 5.670 5.670 5.345 0.325 17577 12779 1 15 . 1 1 112 112 MET C C 112 175.400 175.400 174.756 0.644 17577 12780 1 15 . 1 1 112 112 MET CA C 112 55.100 55.100 53.932 1.168 17577 12781 1 15 . 1 1 112 112 MET CB C 112 37.200 37.200 36.225 0.975 17577 12782 1 15 . 1 1 112 112 MET H H 112 9.120 9.120 8.328 0.792 17577 12783 1 15 . 1 1 113 113 ARG N N 113 119.500 119.500 122.562 -3.062 17577 12784 1 15 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.948 0.102 17577 12785 1 15 . 1 1 113 113 ARG C C 113 173.800 173.800 174.285 -0.485 17577 12786 1 15 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.960 1.040 17577 12787 1 15 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.727 4.873 17577 12788 1 15 . 1 1 113 113 ARG H H 113 9.390 9.390 8.564 0.826 17577 12789 1 15 . 1 1 114 114 LEU N N 114 124.400 124.400 125.276 -0.876 17577 12790 1 15 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.168 -0.138 17577 12791 1 15 . 1 1 114 114 LEU C C 114 174.200 174.200 174.475 -0.275 17577 12792 1 15 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.160 0.940 17577 12793 1 15 . 1 1 114 114 LEU CB C 114 43.900 43.900 43.601 0.299 17577 12794 1 15 . 1 1 114 114 LEU H H 114 8.020 8.020 8.794 -0.774 17577 12795 1 15 . 1 1 115 115 TYR N N 115 126.000 126.000 125.533 0.467 17577 12796 1 15 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.396 0.404 17577 12797 1 15 . 1 1 115 115 TYR C C 115 176.500 176.500 175.983 0.517 17577 12798 1 15 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.657 1.343 17577 12799 1 15 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.745 1.155 17577 12800 1 15 . 1 1 115 115 TYR H H 115 9.540 9.540 9.360 0.180 17577 12801 1 15 . 1 1 116 116 SER N N 116 113.200 113.200 114.478 -1.278 17577 12802 1 15 . 1 1 116 116 SER HA H 116 5.840 5.840 5.209 0.631 17577 12803 1 15 . 1 1 116 116 SER C C 116 175.400 175.400 174.543 0.857 17577 12804 1 15 . 1 1 116 116 SER CA C 116 56.600 56.600 55.845 0.755 17577 12805 1 15 . 1 1 116 116 SER CB C 116 67.700 67.700 65.076 2.624 17577 12806 1 15 . 1 1 116 116 SER H H 116 9.930 9.930 8.377 1.553 17577 12807 1 15 . 1 1 117 117 ARG N N 117 130.500 130.500 126.281 4.219 17577 12808 1 15 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.149 -0.469 17577 12809 1 15 . 1 1 117 117 ARG C C 117 175.400 175.400 175.705 -0.305 17577 12810 1 15 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.620 1.680 17577 12811 1 15 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.792 1.708 17577 12812 1 15 . 1 1 117 117 ARG H H 117 8.350 8.350 8.106 0.244 17577 12813 1 15 . 1 1 118 118 SER N N 118 111.300 111.300 110.414 0.886 17577 12814 1 15 . 1 1 118 118 SER HA H 118 4.990 4.990 4.682 0.308 17577 12815 1 15 . 1 1 118 118 SER C C 118 173.400 173.400 172.152 1.248 17577 12816 1 15 . 1 1 118 118 SER CA C 118 54.800 54.800 54.494 0.306 17577 12817 1 15 . 1 1 118 118 SER CB C 118 65.800 65.800 64.885 0.915 17577 12818 1 15 . 1 1 118 118 SER H H 118 7.980 7.980 7.374 0.606 17577 12819 1 15 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.442 -0.472 17577 12820 1 15 . 1 1 119 119 PRO C C 119 175.500 175.500 176.534 -1.034 17577 12821 1 15 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.382 0.718 17577 12822 1 15 . 1 1 119 119 PRO CB C 119 32.200 32.200 32.129 0.071 17577 12823 1 15 . 1 1 120 120 GLU N N 120 117.500 117.500 116.882 0.618 17577 12824 1 15 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.327 -0.067 17577 12825 1 15 . 1 1 120 120 GLU C C 120 174.500 174.500 175.362 -0.862 17577 12826 1 15 . 1 1 120 120 GLU CA C 120 55.800 55.800 56.159 -0.359 17577 12827 1 15 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.757 -1.057 17577 12828 1 15 . 1 1 120 120 GLU H H 120 7.410 7.410 7.478 -0.068 17577 12829 1 15 . 1 1 121 121 VAL N N 121 124.900 124.900 119.504 5.396 17577 12830 1 15 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.245 -0.105 17577 12831 1 15 . 1 1 121 121 VAL C C 121 174.400 174.400 175.686 -1.286 17577 12832 1 15 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.507 0.193 17577 12833 1 15 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.024 1.076 17577 12834 1 15 . 1 1 121 121 VAL H H 121 7.900 7.900 8.462 -0.562 17577 12835 1 15 . 1 1 122 122 SER N N 122 124.500 124.500 124.420 0.080 17577 12836 1 15 . 1 1 122 122 SER HA H 122 4.750 4.750 4.812 -0.062 17577 12837 1 15 . 1 1 122 122 SER CA C 122 57.300 57.300 55.207 2.093 17577 12838 1 15 . 1 1 122 122 SER CB C 122 64.500 64.500 64.207 0.293 17577 12839 1 15 . 1 1 122 122 SER H H 122 8.680 8.680 8.523 0.157 17577 12840 1 15 . 1 1 123 123 PRO C C 123 175.600 175.600 177.386 -1.786 17577 12841 1 15 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.454 0.446 17577 12842 1 15 . 1 1 124 124 ALA N N 124 120.100 120.100 118.764 1.336 17577 12843 1 15 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.160 -0.090 17577 12844 1 15 . 1 1 124 124 ALA C C 124 179.900 179.900 179.192 0.708 17577 12845 1 15 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.597 1.203 17577 12846 1 15 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.157 0.943 17577 12847 1 15 . 1 1 124 124 ALA H H 124 8.030 8.030 7.700 0.330 17577 12848 1 15 . 1 1 125 125 ALA N N 125 121.100 121.100 121.165 -0.065 17577 12849 1 15 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.354 0.076 17577 12850 1 15 . 1 1 125 125 ALA C C 125 179.200 179.200 179.698 -0.498 17577 12851 1 15 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.831 0.769 17577 12852 1 15 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.239 0.961 17577 12853 1 15 . 1 1 125 125 ALA H H 125 7.510 7.510 8.272 -0.762 17577 12854 1 15 . 1 1 126 126 THR N N 126 113.200 113.200 114.489 -1.289 17577 12855 1 15 . 1 1 126 126 THR HA H 126 4.150 4.150 4.139 0.011 17577 12856 1 15 . 1 1 126 126 THR C C 126 176.100 176.100 176.325 -0.225 17577 12857 1 15 . 1 1 126 126 THR CA C 126 68.900 68.900 66.947 1.953 17577 12858 1 15 . 1 1 126 126 THR CB C 126 67.700 67.700 68.608 -0.908 17577 12859 1 15 . 1 1 126 126 THR H H 126 7.820 7.820 7.586 0.234 17577 12860 1 15 . 1 1 127 127 ALA N N 127 123.100 123.100 124.923 -1.823 17577 12861 1 15 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.189 -0.109 17577 12862 1 15 . 1 1 127 127 ALA C C 127 181.100 181.100 179.223 1.877 17577 12863 1 15 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.893 1.307 17577 12864 1 15 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.232 0.468 17577 12865 1 15 . 1 1 127 127 ALA H H 127 7.900 7.900 7.415 0.485 17577 12866 1 15 . 1 1 128 128 ILE N N 128 120.900 120.900 119.615 1.285 17577 12867 1 15 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.802 -0.062 17577 12868 1 15 . 1 1 128 128 ILE C C 128 177.300 177.300 177.105 0.195 17577 12869 1 15 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.343 2.256 17577 12870 1 15 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.761 2.639 17577 12871 1 15 . 1 1 128 128 ILE H H 128 7.640 7.640 8.120 -0.480 17577 12872 1 15 . 1 1 129 129 PHE N N 129 120.300 120.300 120.630 -0.330 17577 12873 1 15 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.087 -0.077 17577 12874 1 15 . 1 1 129 129 PHE C C 129 176.100 176.100 177.262 -1.162 17577 12875 1 15 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.277 2.023 17577 12876 1 15 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.625 2.275 17577 12877 1 15 . 1 1 129 129 PHE H H 129 8.250 8.250 7.617 0.633 17577 12878 1 15 . 1 1 130 130 ARG N N 130 116.300 116.300 118.834 -2.534 17577 12879 1 15 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.617 -0.057 17577 12880 1 15 . 1 1 130 130 ARG C C 130 179.400 179.400 178.312 1.088 17577 12881 1 15 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.224 1.876 17577 12882 1 15 . 1 1 130 130 ARG CB C 130 30.600 30.600 29.963 0.637 17577 12883 1 15 . 1 1 130 130 ARG H H 130 8.650 8.650 7.961 0.689 17577 12884 1 15 . 1 1 131 131 LYS N N 131 122.200 122.200 121.285 0.915 17577 12885 1 15 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.970 0.060 17577 12886 1 15 . 1 1 131 131 LYS C C 131 179.300 179.300 178.943 0.357 17577 12887 1 15 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.747 0.753 17577 12888 1 15 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.286 0.914 17577 12889 1 15 . 1 1 131 131 LYS H H 131 8.020 8.020 8.065 -0.045 17577 12890 1 15 . 1 1 132 132 LEU N N 132 120.300 120.300 119.148 1.152 17577 12891 1 15 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.034 -0.104 17577 12892 1 15 . 1 1 132 132 LEU C C 132 179.600 179.600 179.093 0.507 17577 12893 1 15 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.825 0.775 17577 12894 1 15 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.177 1.323 17577 12895 1 15 . 1 1 132 132 LEU H H 132 8.450 8.450 7.831 0.619 17577 12896 1 15 . 1 1 133 133 ALA N N 133 122.400 122.400 120.307 2.093 17577 12897 1 15 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.731 0.239 17577 12898 1 15 . 1 1 133 133 ALA C C 133 180.400 180.400 179.870 0.530 17577 12899 1 15 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.796 1.204 17577 12900 1 15 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.956 -1.056 17577 12901 1 15 . 1 1 133 133 ALA H H 133 8.750 8.750 7.851 0.899 17577 12902 1 15 . 1 1 134 134 GLY N N 134 107.400 107.400 106.792 0.608 17577 12903 1 15 . 1 1 134 134 GLY C C 134 178.200 178.200 176.975 1.225 17577 12904 1 15 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.852 1.248 17577 12905 1 15 . 1 1 134 134 GLY H H 134 8.130 8.130 8.425 -0.295 17577 12906 1 15 . 1 1 135 135 GLU N N 135 121.900 121.900 121.689 0.211 17577 12907 1 15 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.144 -0.094 17577 12908 1 15 . 1 1 135 135 GLU C C 135 177.400 177.400 178.088 -0.688 17577 12909 1 15 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.572 0.728 17577 12910 1 15 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.425 0.975 17577 12911 1 15 . 1 1 135 135 GLU H H 135 7.730 7.730 7.867 -0.137 17577 12912 1 15 . 1 1 136 136 ARG N N 136 118.000 118.000 116.240 1.760 17577 12913 1 15 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.456 -0.306 17577 12914 1 15 . 1 1 136 136 ARG C C 136 173.500 173.500 175.081 -1.581 17577 12915 1 15 . 1 1 136 136 ARG CA C 136 55.800 55.800 54.901 0.899 17577 12916 1 15 . 1 1 136 136 ARG CB C 136 28.900 28.900 29.803 -0.903 17577 12917 1 15 . 1 1 136 136 ARG H H 136 7.130 7.130 7.249 -0.119 17577 12918 1 15 . 1 1 137 137 ASN N N 137 109.600 109.600 114.949 -5.349 17577 12919 1 15 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.387 -0.237 17577 12920 1 15 . 1 1 137 137 ASN C C 137 174.200 174.200 174.187 0.013 17577 12921 1 15 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.528 1.472 17577 12922 1 15 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.672 0.528 17577 12923 1 15 . 1 1 137 137 ASN H H 137 7.560 7.560 8.349 -0.789 17577 12924 1 15 . 1 1 138 138 TYR N N 138 118.600 118.600 118.315 0.285 17577 12925 1 15 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.604 0.686 17577 12926 1 15 . 1 1 138 138 TYR C C 138 175.900 175.900 176.298 -0.398 17577 12927 1 15 . 1 1 138 138 TYR CA C 138 57.700 57.700 57.139 0.561 17577 12928 1 15 . 1 1 138 138 TYR CB C 138 37.600 37.600 38.928 -1.328 17577 12929 1 15 . 1 1 138 138 TYR H H 138 8.020 8.020 8.135 -0.115 17577 12930 1 15 . 1 1 139 139 THR N N 139 115.000 115.000 115.811 -0.811 17577 12931 1 15 . 1 1 139 139 THR HA H 139 4.420 4.420 4.318 0.102 17577 12932 1 15 . 1 1 139 139 THR C C 139 175.500 175.500 175.871 -0.371 17577 12933 1 15 . 1 1 139 139 THR CA C 139 61.400 61.400 60.548 0.852 17577 12934 1 15 . 1 1 139 139 THR CB C 139 71.400 71.400 71.194 0.206 17577 12935 1 15 . 1 1 139 139 THR H H 139 7.740 7.740 7.804 -0.064 17577 12936 1 15 . 1 1 140 140 ASP N N 140 117.900 117.900 124.807 -6.907 17577 12937 1 15 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.242 0.018 17577 12938 1 15 . 1 1 140 140 ASP C C 140 178.400 178.400 177.879 0.521 17577 12939 1 15 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.488 1.512 17577 12940 1 15 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.817 1.983 17577 12941 1 15 . 1 1 140 140 ASP H H 140 8.630 8.630 8.847 -0.217 17577 12942 1 15 . 1 1 141 141 GLU N N 141 116.800 116.800 119.175 -2.375 17577 12943 1 15 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.055 0.215 17577 12944 1 15 . 1 1 141 141 GLU C C 141 176.200 176.200 177.447 -1.247 17577 12945 1 15 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.379 0.721 17577 12946 1 15 . 1 1 141 141 GLU CB C 141 30.100 30.100 28.722 1.378 17577 12947 1 15 . 1 1 141 141 GLU H H 141 8.500 8.500 8.084 0.416 17577 12948 1 15 . 1 1 142 142 MET N N 142 117.400 117.400 116.145 1.255 17577 12949 1 15 . 1 1 142 142 MET HA H 142 4.490 4.490 4.405 0.085 17577 12950 1 15 . 1 1 142 142 MET C C 142 172.900 172.900 175.676 -2.776 17577 12951 1 15 . 1 1 142 142 MET CA C 142 57.100 57.100 57.061 0.039 17577 12952 1 15 . 1 1 142 142 MET CB C 142 33.400 33.400 33.576 -0.176 17577 12953 1 15 . 1 1 142 142 MET H H 142 7.960 7.960 7.834 0.126 17577 12954 1 15 . 1 1 143 143 VAL N N 143 116.800 116.800 119.304 -2.504 17577 12955 1 15 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.794 -0.004 17577 12956 1 15 . 1 1 143 143 VAL C C 143 175.600 175.600 174.077 1.523 17577 12957 1 15 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.806 2.394 17577 12958 1 15 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.022 0.478 17577 12959 1 15 . 1 1 143 143 VAL H H 143 7.120 7.120 7.873 -0.753 17577 12960 1 15 . 1 1 144 144 ALA N N 144 131.000 131.000 132.506 -1.506 17577 12961 1 15 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.865 -0.055 17577 12962 1 15 . 1 1 144 144 ALA C C 144 175.800 175.800 176.533 -0.733 17577 12963 1 15 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.697 0.803 17577 12964 1 15 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.119 1.481 17577 12965 1 15 . 1 1 144 144 ALA H H 144 9.600 9.600 8.195 1.405 17577 12966 1 15 . 1 1 145 145 MET N N 145 122.400 122.400 123.226 -0.826 17577 12967 1 15 . 1 1 145 145 MET HA H 145 4.890 4.890 4.560 0.330 17577 12968 1 15 . 1 1 145 145 MET C C 145 176.900 176.900 175.767 1.133 17577 12969 1 15 . 1 1 145 145 MET CA C 145 54.000 54.000 55.269 -1.269 17577 12970 1 15 . 1 1 145 145 MET CB C 145 30.100 30.100 33.053 -2.953 17577 12971 1 15 . 1 1 145 145 MET H H 145 8.630 8.630 8.671 -0.041 17577 12972 1 15 . 1 1 146 146 LEU N N 146 125.400 125.400 124.376 1.024 17577 12973 1 15 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.864 -0.324 17577 12974 1 15 . 1 1 146 146 LEU C C 146 174.500 174.500 174.570 -0.070 17577 12975 1 15 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.286 2.614 17577 12976 1 15 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.201 -1.401 17577 12977 1 15 . 1 1 146 146 LEU H H 146 7.880 7.880 8.463 -0.583 17577 12978 1 15 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.781 -0.201 17577 12979 1 15 . 1 1 147 147 PRO C C 147 176.200 176.200 177.209 -1.009 17577 12980 1 15 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.115 1.185 17577 12981 1 15 . 1 1 147 147 PRO CB C 147 33.600 33.600 32.810 0.790 17577 12982 1 15 . 1 1 148 148 ARG N N 148 120.700 120.700 118.713 1.987 17577 12983 1 15 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.083 0.187 17577 12984 1 15 . 1 1 148 148 ARG C C 148 175.500 175.500 175.862 -0.362 17577 12985 1 15 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.734 0.566 17577 12986 1 15 . 1 1 148 148 ARG CB C 148 32.400 32.400 30.043 2.357 17577 12987 1 15 . 1 1 148 148 ARG H H 148 8.540 8.540 8.566 -0.026 17577 12988 1 15 . 1 1 149 149 GLN N N 149 115.000 115.000 121.410 -6.410 17577 12989 1 15 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.140 0.580 17577 12990 1 15 . 1 1 149 149 GLN C C 149 174.300 174.300 174.841 -0.541 17577 12991 1 15 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.131 -1.231 17577 12992 1 15 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.073 0.627 17577 12993 1 15 . 1 1 149 149 GLN H H 149 7.770 7.770 8.157 -0.387 17577 12994 1 15 . 1 1 150 150 GLU N N 150 117.800 117.800 123.729 -5.929 17577 12995 1 15 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.553 -0.083 17577 12996 1 15 . 1 1 150 150 GLU C C 150 175.800 175.800 175.398 0.402 17577 12997 1 15 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.748 1.552 17577 12998 1 15 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.244 1.156 17577 12999 1 15 . 1 1 150 150 GLU H H 150 8.570 8.570 8.558 0.012 17577 13000 1 15 . 1 1 151 151 GLU N N 151 119.200 119.200 122.170 -2.970 17577 13001 1 15 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.429 -0.169 17577 13002 1 15 . 1 1 151 151 GLU C C 151 176.000 176.000 175.703 0.297 17577 13003 1 15 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.968 2.532 17577 13004 1 15 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.582 1.618 17577 13005 1 15 . 1 1 151 151 GLU H H 151 8.000 8.000 8.863 -0.863 17577 13006 1 15 . 1 1 152 152 CYS N N 152 122.100 122.100 117.883 4.217 17577 13007 1 15 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.913 0.227 17577 13008 1 15 . 1 1 152 152 CYS C C 152 172.800 172.800 173.056 -0.256 17577 13009 1 15 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.220 -4.220 17577 13010 1 15 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.970 4.930 17577 13011 1 15 . 1 1 152 152 CYS H H 152 9.620 9.620 8.100 1.520 17577 13012 1 15 . 1 1 153 153 THR N N 153 118.000 118.000 113.188 4.812 17577 13013 1 15 . 1 1 153 153 THR HA H 153 4.860 4.860 4.636 0.224 17577 13014 1 15 . 1 1 153 153 THR C C 153 173.000 173.000 172.717 0.283 17577 13015 1 15 . 1 1 153 153 THR CA C 153 59.800 59.800 61.330 -1.530 17577 13016 1 15 . 1 1 153 153 THR CB C 153 72.500 72.500 70.759 1.741 17577 13017 1 15 . 1 1 153 153 THR H H 153 8.490 8.490 8.062 0.428 17577 13018 1 15 . 1 1 154 154 VAL N N 154 114.900 114.900 120.469 -5.569 17577 13019 1 15 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.387 -0.267 17577 13020 1 15 . 1 1 154 154 VAL C C 154 175.500 175.500 174.781 0.719 17577 13021 1 15 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.686 0.314 17577 13022 1 15 . 1 1 154 154 VAL CB C 154 33.100 33.100 33.204 -0.104 17577 13023 1 15 . 1 1 154 154 VAL H H 154 6.920 6.920 8.145 -1.225 17577 13024 1 15 . 1 1 155 155 ASP N N 155 124.100 124.100 122.616 1.484 17577 13025 1 15 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.799 -0.309 17577 13026 1 15 . 1 1 155 155 ASP C C 155 175.800 175.800 174.792 1.008 17577 13027 1 15 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.296 2.404 17577 13028 1 15 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.886 -0.586 17577 13029 1 15 . 1 1 155 155 ASP H H 155 8.390 8.390 8.492 -0.102 17577 13030 1 15 . 1 1 156 156 GLU N N 156 121.000 121.000 120.281 0.719 17577 13031 1 15 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.657 -0.487 17577 13032 1 15 . 1 1 156 156 GLU C C 156 175.400 175.400 176.429 -1.029 17577 13033 1 15 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.764 1.736 17577 13034 1 15 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.968 1.432 17577 13035 1 15 . 1 1 156 156 GLU H H 156 8.450 8.450 8.401 0.049 17577 13036 1 16 . 1 1 4 4 PRO C C 4 175.800 175.800 177.723 -1.923 17577 13037 1 16 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.894 -0.593 17577 13038 1 16 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.792 1.208 17577 13039 1 16 . 1 1 5 5 ASP N N 5 119.400 119.400 116.677 2.723 17577 13040 1 16 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.304 0.206 17577 13041 1 16 . 1 1 5 5 ASP C C 5 177.100 177.100 178.266 -1.166 17577 13042 1 16 . 1 1 5 5 ASP CA C 5 54.800 54.800 57.469 -2.669 17577 13043 1 16 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.011 2.389 17577 13044 1 16 . 1 1 5 5 ASP H H 5 8.090 8.090 8.629 -0.539 17577 13045 1 16 . 1 1 6 6 ARG N N 6 124.800 124.800 120.044 4.756 17577 13046 1 16 . 1 1 6 6 ARG C C 6 177.300 177.300 178.230 -0.930 17577 13047 1 16 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.810 0.190 17577 13048 1 16 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.064 0.436 17577 13049 1 16 . 1 1 6 6 ARG H H 6 8.590 8.590 8.025 0.565 17577 13050 1 16 . 1 1 7 7 SER N N 7 113.800 113.800 114.255 -0.455 17577 13051 1 16 . 1 1 7 7 SER CA C 7 62.400 62.400 61.420 0.980 17577 13052 1 16 . 1 1 7 7 SER CB C 7 63.800 63.800 62.430 1.370 17577 13053 1 16 . 1 1 7 7 SER H H 7 8.240 8.240 7.614 0.626 17577 13054 1 16 . 1 1 8 8 GLU N N 8 120.200 120.200 120.667 -0.467 17577 13055 1 16 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.046 0.284 17577 13056 1 16 . 1 1 8 8 GLU C C 8 177.100 177.100 178.518 -1.418 17577 13057 1 16 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.390 0.310 17577 13058 1 16 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.784 1.116 17577 13059 1 16 . 1 1 8 8 GLU H H 8 8.030 8.030 7.834 0.196 17577 13060 1 16 . 1 1 9 9 ILE N N 9 112.800 112.800 118.244 -5.444 17577 13061 1 16 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.685 0.665 17577 13062 1 16 . 1 1 9 9 ILE C C 9 175.000 175.000 175.178 -0.178 17577 13063 1 16 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.770 2.630 17577 13064 1 16 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.219 2.781 17577 13065 1 16 . 1 1 9 9 ILE H H 9 7.530 7.530 7.267 0.263 17577 13066 1 16 . 1 1 10 10 ALA N N 10 120.400 120.400 121.973 -1.573 17577 13067 1 16 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.650 -0.580 17577 13068 1 16 . 1 1 10 10 ALA C C 10 177.500 177.500 177.394 0.106 17577 13069 1 16 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.995 0.005 17577 13070 1 16 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.068 1.332 17577 13071 1 16 . 1 1 10 10 ALA H H 10 7.410 7.410 8.174 -0.764 17577 13072 1 16 . 1 1 11 11 GLY N N 11 108.300 108.300 110.257 -1.957 17577 13073 1 16 . 1 1 11 11 GLY C C 11 173.700 173.700 173.779 -0.079 17577 13074 1 16 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.079 0.221 17577 13075 1 16 . 1 1 11 11 GLY H H 11 8.780 8.780 8.711 0.069 17577 13076 1 16 . 1 1 12 12 LYS N N 12 122.300 122.300 121.469 0.831 17577 13077 1 16 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.984 -0.154 17577 13078 1 16 . 1 1 12 12 LYS C C 12 175.900 175.900 174.165 1.735 17577 13079 1 16 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.133 2.167 17577 13080 1 16 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.634 0.366 17577 13081 1 16 . 1 1 12 12 LYS H H 12 8.740 8.740 7.652 1.088 17577 13082 1 16 . 1 1 13 13 TRP N N 13 126.000 126.000 126.493 -0.493 17577 13083 1 16 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.026 -0.396 17577 13084 1 16 . 1 1 13 13 TRP C C 13 173.300 173.300 174.766 -1.466 17577 13085 1 16 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.423 1.277 17577 13086 1 16 . 1 1 13 13 TRP CB C 13 35.400 35.400 32.072 3.328 17577 13087 1 16 . 1 1 13 13 TRP H H 13 9.440 9.440 9.758 -0.318 17577 13088 1 16 . 1 1 14 14 TYR N N 14 118.300 118.300 123.485 -5.185 17577 13089 1 16 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.014 0.036 17577 13090 1 16 . 1 1 14 14 TYR C C 14 175.400 175.400 175.063 0.337 17577 13091 1 16 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.304 1.496 17577 13092 1 16 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.403 1.097 17577 13093 1 16 . 1 1 14 14 TYR H H 14 9.370 9.370 9.170 0.200 17577 13094 1 16 . 1 1 15 15 VAL N N 15 124.200 124.200 124.644 -0.444 17577 13095 1 16 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.415 0.625 17577 13096 1 16 . 1 1 15 15 VAL C C 15 175.500 175.500 175.081 0.419 17577 13097 1 16 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.715 0.985 17577 13098 1 16 . 1 1 15 15 VAL CB C 15 32.400 32.400 31.852 0.549 17577 13099 1 16 . 1 1 15 15 VAL H H 15 9.000 9.000 8.565 0.435 17577 13100 1 16 . 1 1 16 16 VAL N N 16 114.600 114.600 121.719 -7.119 17577 13101 1 16 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.525 0.125 17577 13102 1 16 . 1 1 16 16 VAL C C 16 175.900 175.900 174.012 1.888 17577 13103 1 16 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.641 1.559 17577 13104 1 16 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.720 0.880 17577 13105 1 16 . 1 1 16 16 VAL H H 16 8.420 8.420 8.571 -0.151 17577 13106 1 16 . 1 1 17 17 ALA N N 17 122.900 122.900 120.972 1.928 17577 13107 1 16 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.880 0.390 17577 13108 1 16 . 1 1 17 17 ALA C C 17 174.200 174.200 174.815 -0.615 17577 13109 1 16 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.267 0.833 17577 13110 1 16 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.090 3.010 17577 13111 1 16 . 1 1 17 17 ALA H H 17 7.590 7.590 7.292 0.298 17577 13112 1 16 . 1 1 18 18 LEU N N 18 118.000 118.000 118.380 -0.380 17577 13113 1 16 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.797 -0.357 17577 13114 1 16 . 1 1 18 18 LEU C C 18 176.100 176.100 175.233 0.867 17577 13115 1 16 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.098 1.902 17577 13116 1 16 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.578 4.222 17577 13117 1 16 . 1 1 18 18 LEU H H 18 8.570 8.570 8.152 0.418 17577 13118 1 16 . 1 1 19 19 ALA N N 19 120.300 120.300 119.874 0.426 17577 13119 1 16 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.353 0.077 17577 13120 1 16 . 1 1 19 19 ALA C C 19 174.400 174.400 176.010 -1.610 17577 13121 1 16 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.427 1.273 17577 13122 1 16 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.364 0.736 17577 13123 1 16 . 1 1 19 19 ALA H H 19 8.360 8.360 8.794 -0.434 17577 13124 1 16 . 1 1 20 20 SER N N 20 114.200 114.200 116.815 -2.615 17577 13125 1 16 . 1 1 20 20 SER HA H 20 3.890 3.890 4.845 -0.955 17577 13126 1 16 . 1 1 20 20 SER C C 20 170.700 170.700 172.446 -1.746 17577 13127 1 16 . 1 1 20 20 SER CA C 20 57.200 57.200 57.615 -0.415 17577 13128 1 16 . 1 1 20 20 SER CB C 20 64.200 64.200 64.808 -0.609 17577 13129 1 16 . 1 1 20 20 SER H H 20 7.450 7.450 8.734 -1.284 17577 13130 1 16 . 1 1 21 21 ASN N N 21 117.500 117.500 116.833 0.667 17577 13131 1 16 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.711 0.509 17577 13132 1 16 . 1 1 21 21 ASN C C 21 176.500 176.500 174.762 1.738 17577 13133 1 16 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.079 -0.579 17577 13134 1 16 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.684 -0.384 17577 13135 1 16 . 1 1 21 21 ASN H H 21 7.980 7.980 8.616 -0.636 17577 13136 1 16 . 1 1 22 22 THR N N 22 112.100 112.100 118.073 -5.973 17577 13137 1 16 . 1 1 22 22 THR HA H 22 4.420 4.420 3.802 0.618 17577 13138 1 16 . 1 1 22 22 THR C C 22 174.800 174.800 174.797 0.003 17577 13139 1 16 . 1 1 22 22 THR CA C 22 63.200 63.200 62.020 1.180 17577 13140 1 16 . 1 1 22 22 THR CB C 22 71.800 71.800 68.564 3.236 17577 13141 1 16 . 1 1 22 22 THR H H 22 8.140 8.140 7.709 0.431 17577 13142 1 16 . 1 1 23 23 GLU N N 23 122.700 122.700 129.509 -6.809 17577 13143 1 16 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.815 0.935 17577 13144 1 16 . 1 1 23 23 GLU C C 23 178.800 178.800 178.240 0.560 17577 13145 1 16 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.423 1.877 17577 13146 1 16 . 1 1 23 23 GLU CB C 23 30.300 30.300 28.987 1.313 17577 13147 1 16 . 1 1 23 23 GLU H H 23 8.980 8.980 8.409 0.571 17577 13148 1 16 . 1 1 24 24 PHE N N 24 118.200 118.200 117.923 0.277 17577 13149 1 16 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.148 -0.168 17577 13150 1 16 . 1 1 24 24 PHE C C 24 175.900 175.900 177.910 -2.010 17577 13151 1 16 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.426 2.474 17577 13152 1 16 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.072 3.628 17577 13153 1 16 . 1 1 24 24 PHE H H 24 8.610 8.610 6.612 1.998 17577 13154 1 16 . 1 1 25 25 PHE N N 25 119.000 119.000 116.703 2.297 17577 13155 1 16 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.502 -0.662 17577 13156 1 16 . 1 1 25 25 PHE C C 25 176.500 176.500 177.977 -1.477 17577 13157 1 16 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.652 5.148 17577 13158 1 16 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.919 2.481 17577 13159 1 16 . 1 1 25 25 PHE H H 25 7.730 7.730 7.076 0.654 17577 13160 1 16 . 1 1 26 26 LEU N N 26 115.900 115.900 121.880 -5.980 17577 13161 1 16 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.062 -0.332 17577 13162 1 16 . 1 1 26 26 LEU C C 26 179.200 179.200 178.467 0.733 17577 13163 1 16 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.705 0.996 17577 13164 1 16 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.736 0.264 17577 13165 1 16 . 1 1 26 26 LEU H H 26 8.380 8.380 8.871 -0.491 17577 13166 1 16 . 1 1 27 27 ARG N N 27 116.900 116.900 119.196 -2.296 17577 13167 1 16 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.015 0.095 17577 13168 1 16 . 1 1 27 27 ARG C C 27 178.400 178.400 177.797 0.603 17577 13169 1 16 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.075 0.125 17577 13170 1 16 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.139 1.961 17577 13171 1 16 . 1 1 27 27 ARG H H 27 7.720 7.720 8.457 -0.737 17577 13172 1 16 . 1 1 28 28 GLU N N 28 116.000 116.000 117.779 -1.779 17577 13173 1 16 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.293 0.067 17577 13174 1 16 . 1 1 28 28 GLU C C 28 178.200 178.200 179.017 -0.817 17577 13175 1 16 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.725 -2.025 17577 13176 1 16 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.090 0.810 17577 13177 1 16 . 1 1 28 28 GLU H H 28 7.660 7.660 7.662 -0.002 17577 13178 1 16 . 1 1 29 29 LYS N N 29 120.700 120.700 120.286 0.414 17577 13179 1 16 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.089 0.051 17577 13180 1 16 . 1 1 29 29 LYS C C 29 177.900 177.900 178.756 -0.856 17577 13181 1 16 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.398 0.502 17577 13182 1 16 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.266 -0.866 17577 13183 1 16 . 1 1 29 29 LYS H H 29 7.910 7.910 8.668 -0.758 17577 13184 1 16 . 1 1 30 30 ASP N N 30 118.800 118.800 116.955 1.845 17577 13185 1 16 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.513 -0.123 17577 13186 1 16 . 1 1 30 30 ASP C C 30 177.000 177.000 177.439 -0.439 17577 13187 1 16 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.261 0.939 17577 13188 1 16 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.583 0.017 17577 13189 1 16 . 1 1 30 30 ASP H H 30 8.390 8.390 7.893 0.497 17577 13190 1 16 . 1 1 31 31 LYS N N 31 118.000 118.000 116.500 1.500 17577 13191 1 16 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.410 -0.020 17577 13192 1 16 . 1 1 31 31 LYS C C 31 177.200 177.200 176.612 0.588 17577 13193 1 16 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.687 0.313 17577 13194 1 16 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.147 1.053 17577 13195 1 16 . 1 1 31 31 LYS H H 31 8.110 8.110 8.228 -0.118 17577 13196 1 16 . 1 1 32 32 MET N N 32 120.300 120.300 117.430 2.870 17577 13197 1 16 . 1 1 32 32 MET HA H 32 4.520 4.520 4.590 -0.070 17577 13198 1 16 . 1 1 32 32 MET C C 32 176.200 176.200 175.273 0.927 17577 13199 1 16 . 1 1 32 32 MET CA C 32 58.000 58.000 56.072 1.929 17577 13200 1 16 . 1 1 32 32 MET CB C 32 33.500 33.500 33.558 -0.058 17577 13201 1 16 . 1 1 32 32 MET H H 32 7.240 7.240 7.351 -0.111 17577 13202 1 16 . 1 1 33 33 LYS N N 33 120.200 120.200 117.003 3.197 17577 13203 1 16 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.526 0.174 17577 13204 1 16 . 1 1 33 33 LYS C C 33 173.000 173.000 176.321 -3.321 17577 13205 1 16 . 1 1 33 33 LYS CA C 33 56.100 56.100 53.967 2.133 17577 13206 1 16 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.239 4.861 17577 13207 1 16 . 1 1 33 33 LYS H H 33 8.560 8.560 8.219 0.341 17577 13208 1 16 . 1 1 34 34 MET N N 34 118.300 118.300 120.166 -1.866 17577 13209 1 16 . 1 1 34 34 MET HA H 34 4.080 4.080 4.148 -0.068 17577 13210 1 16 . 1 1 34 34 MET C C 34 173.800 173.800 175.382 -1.582 17577 13211 1 16 . 1 1 34 34 MET CA C 34 59.500 59.500 56.998 2.502 17577 13212 1 16 . 1 1 34 34 MET CB C 34 35.700 35.700 33.232 2.468 17577 13213 1 16 . 1 1 34 34 MET H H 34 8.370 8.370 8.003 0.367 17577 13214 1 16 . 1 1 35 35 ALA N N 35 126.000 126.000 126.123 -0.123 17577 13215 1 16 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.891 0.369 17577 13216 1 16 . 1 1 35 35 ALA C C 35 176.100 176.100 175.730 0.370 17577 13217 1 16 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.260 0.340 17577 13218 1 16 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.429 1.371 17577 13219 1 16 . 1 1 35 35 ALA H H 35 7.360 7.360 8.342 -0.982 17577 13220 1 16 . 1 1 36 36 MET N N 36 117.100 117.100 114.853 2.247 17577 13221 1 16 . 1 1 36 36 MET HA H 36 5.280 5.280 5.702 -0.422 17577 13222 1 16 . 1 1 36 36 MET C C 36 172.600 172.600 174.694 -2.094 17577 13223 1 16 . 1 1 36 36 MET CA C 36 56.100 56.100 52.492 3.608 17577 13224 1 16 . 1 1 36 36 MET CB C 36 39.600 39.600 36.583 3.017 17577 13225 1 16 . 1 1 36 36 MET H H 36 8.920 8.920 9.095 -0.175 17577 13226 1 16 . 1 1 37 37 ALA N N 37 121.700 121.700 120.175 1.525 17577 13227 1 16 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.782 0.648 17577 13228 1 16 . 1 1 37 37 ALA C C 37 175.400 175.400 174.767 0.633 17577 13229 1 16 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.861 -0.660 17577 13230 1 16 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.801 1.599 17577 13231 1 16 . 1 1 37 37 ALA H H 37 8.980 8.980 9.036 -0.056 17577 13232 1 16 . 1 1 38 38 ARG N N 38 120.400 120.400 120.645 -0.245 17577 13233 1 16 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.904 0.246 17577 13234 1 16 . 1 1 38 38 ARG C C 38 174.900 174.900 173.868 1.032 17577 13235 1 16 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.267 -0.066 17577 13236 1 16 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.840 0.760 17577 13237 1 16 . 1 1 38 38 ARG H H 38 9.180 9.180 7.982 1.198 17577 13238 1 16 . 1 1 39 39 ILE N N 39 126.000 126.000 125.089 0.911 17577 13239 1 16 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.772 0.148 17577 13240 1 16 . 1 1 39 39 ILE C C 39 175.100 175.100 174.319 0.781 17577 13241 1 16 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.046 1.154 17577 13242 1 16 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.268 0.132 17577 13243 1 16 . 1 1 39 39 ILE H H 39 8.930 8.930 8.546 0.384 17577 13244 1 16 . 1 1 40 40 SER N N 40 121.700 121.700 120.946 0.754 17577 13245 1 16 . 1 1 40 40 SER HA H 40 4.630 4.630 4.753 -0.123 17577 13246 1 16 . 1 1 40 40 SER CA C 40 57.900 57.900 56.512 1.388 17577 13247 1 16 . 1 1 40 40 SER CB C 40 66.300 66.300 65.830 0.470 17577 13248 1 16 . 1 1 40 40 SER H H 40 8.780 8.780 8.662 0.118 17577 13249 1 16 . 1 1 41 41 PHE N N 41 122.300 122.300 125.076 -2.776 17577 13250 1 16 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.719 -0.069 17577 13251 1 16 . 1 1 41 41 PHE C C 41 175.900 175.900 175.721 0.179 17577 13252 1 16 . 1 1 41 41 PHE CA C 41 60.100 60.100 56.690 3.410 17577 13253 1 16 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.624 2.076 17577 13254 1 16 . 1 1 41 41 PHE H H 41 9.080 9.080 8.866 0.214 17577 13255 1 16 . 1 1 42 42 LEU N N 42 125.100 125.100 124.974 0.126 17577 13256 1 16 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.191 0.439 17577 13257 1 16 . 1 1 42 42 LEU C C 42 176.400 176.400 177.599 -1.199 17577 13258 1 16 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.887 -0.387 17577 13259 1 16 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.561 1.239 17577 13260 1 16 . 1 1 42 42 LEU H H 42 8.540 8.540 7.801 0.739 17577 13261 1 16 . 1 1 43 43 GLY N N 43 108.700 108.700 103.213 5.487 17577 13262 1 16 . 1 1 43 43 GLY C C 43 173.700 173.700 173.907 -0.207 17577 13263 1 16 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.952 0.948 17577 13264 1 16 . 1 1 43 43 GLY H H 43 8.310 8.310 7.840 0.470 17577 13265 1 16 . 1 1 44 44 GLU N N 44 120.300 120.300 120.747 -0.447 17577 13266 1 16 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.784 0.326 17577 13267 1 16 . 1 1 44 44 GLU C C 44 177.200 177.200 176.189 1.011 17577 13268 1 16 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.730 0.870 17577 13269 1 16 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.634 1.166 17577 13270 1 16 . 1 1 44 44 GLU H H 44 8.900 8.900 8.817 0.083 17577 13271 1 16 . 1 1 45 45 ASP N N 45 115.200 115.200 115.562 -0.362 17577 13272 1 16 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.890 -0.020 17577 13273 1 16 . 1 1 45 45 ASP C C 45 174.500 174.500 175.636 -1.136 17577 13274 1 16 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.729 1.071 17577 13275 1 16 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.326 2.374 17577 13276 1 16 . 1 1 45 45 ASP H H 45 8.500 8.500 8.126 0.374 17577 13277 1 16 . 1 1 46 46 GLU N N 46 117.800 117.800 119.336 -1.536 17577 13278 1 16 . 1 1 46 46 GLU HA H 46 5.570 5.570 5.033 0.537 17577 13279 1 16 . 1 1 46 46 GLU C C 46 174.800 174.800 173.512 1.288 17577 13280 1 16 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.463 -0.163 17577 13281 1 16 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.003 1.997 17577 13282 1 16 . 1 1 46 46 GLU H H 46 7.450 7.450 8.378 -0.928 17577 13283 1 16 . 1 1 47 47 LEU N N 47 124.200 124.200 121.181 3.019 17577 13284 1 16 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.058 -0.178 17577 13285 1 16 . 1 1 47 47 LEU C C 47 173.900 173.900 174.315 -0.415 17577 13286 1 16 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.919 2.381 17577 13287 1 16 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.703 0.397 17577 13288 1 16 . 1 1 47 47 LEU H H 47 9.160 9.160 8.640 0.520 17577 13289 1 16 . 1 1 48 48 LYS N N 48 123.800 123.800 121.547 2.253 17577 13290 1 16 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.584 0.366 17577 13291 1 16 . 1 1 48 48 LYS C C 48 174.300 174.300 174.312 -0.012 17577 13292 1 16 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.326 0.674 17577 13293 1 16 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.642 1.158 17577 13294 1 16 . 1 1 48 48 LYS H H 48 9.020 9.020 8.426 0.594 17577 13295 1 16 . 1 1 49 49 VAL N N 49 126.600 126.600 125.892 0.708 17577 13296 1 16 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.712 -0.102 17577 13297 1 16 . 1 1 49 49 VAL C C 49 173.800 173.800 173.550 0.250 17577 13298 1 16 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.340 1.960 17577 13299 1 16 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.836 -0.536 17577 13300 1 16 . 1 1 49 49 VAL H H 49 8.920 8.920 8.152 0.768 17577 13301 1 16 . 1 1 50 50 SER N N 50 120.900 120.900 121.225 -0.325 17577 13302 1 16 . 1 1 50 50 SER HA H 50 4.860 4.860 4.609 0.251 17577 13303 1 16 . 1 1 50 50 SER CA C 50 57.300 57.300 56.963 0.337 17577 13304 1 16 . 1 1 50 50 SER CB C 50 65.100 65.100 65.788 -0.688 17577 13305 1 16 . 1 1 50 50 SER H H 50 8.360 8.360 8.595 -0.235 17577 13306 1 16 . 1 1 51 51 TYR N N 51 122.000 122.000 121.325 0.675 17577 13307 1 16 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.741 0.109 17577 13308 1 16 . 1 1 51 51 TYR C C 51 176.800 176.800 174.039 2.761 17577 13309 1 16 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.840 1.360 17577 13310 1 16 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.764 1.836 17577 13311 1 16 . 1 1 51 51 TYR H H 51 8.990 8.990 8.245 0.745 17577 13312 1 16 . 1 1 52 52 ALA N N 52 124.000 124.000 126.116 -2.116 17577 13313 1 16 . 1 1 52 52 ALA HA H 52 4.870 4.870 5.216 -0.346 17577 13314 1 16 . 1 1 52 52 ALA C C 52 174.800 174.800 175.177 -0.377 17577 13315 1 16 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.611 2.389 17577 13316 1 16 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.339 0.461 17577 13317 1 16 . 1 1 52 52 ALA H H 52 8.640 8.640 9.411 -0.771 17577 13318 1 16 . 1 1 53 53 VAL N N 53 124.300 124.300 124.373 -0.073 17577 13319 1 16 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.512 0.258 17577 13320 1 16 . 1 1 53 53 VAL C C 53 174.200 174.200 173.891 0.309 17577 13321 1 16 . 1 1 53 53 VAL CA C 53 59.300 59.300 59.273 0.027 17577 13322 1 16 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.372 1.128 17577 13323 1 16 . 1 1 53 53 VAL H H 53 9.120 9.120 8.400 0.720 17577 13324 1 16 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.583 0.117 17577 13325 1 16 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.908 2.792 17577 13326 1 16 . 1 1 54 54 PRO CB C 54 32.900 32.900 30.636 2.264 17577 13327 1 16 . 1 1 55 55 LYS N N 55 121.100 121.100 124.908 -3.808 17577 13328 1 16 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.633 0.297 17577 13329 1 16 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.032 0.568 17577 13330 1 16 . 1 1 55 55 LYS CB C 55 33.400 33.400 32.114 1.286 17577 13331 1 16 . 1 1 55 55 LYS H H 55 8.040 8.040 7.499 0.541 17577 13332 1 16 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.117 0.163 17577 13333 1 16 . 1 1 56 56 PRO C C 56 177.200 177.200 177.435 -0.235 17577 13334 1 16 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.409 0.991 17577 13335 1 16 . 1 1 56 56 PRO CB C 56 32.300 32.300 32.018 0.282 17577 13336 1 16 . 1 1 57 57 ASN N N 57 114.200 114.200 115.442 -1.242 17577 13337 1 16 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.617 0.103 17577 13338 1 16 . 1 1 57 57 ASN C C 57 174.900 174.900 175.146 -0.246 17577 13339 1 16 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.174 0.826 17577 13340 1 16 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.391 -0.091 17577 13341 1 16 . 1 1 57 57 ASN H H 57 8.370 8.370 8.081 0.289 17577 13342 1 16 . 1 1 58 58 GLY N N 58 106.500 106.500 108.016 -1.516 17577 13343 1 16 . 1 1 58 58 GLY C C 58 172.000 172.000 173.758 -1.758 17577 13344 1 16 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.904 2.096 17577 13345 1 16 . 1 1 58 58 GLY H H 58 7.810 7.810 7.934 -0.124 17577 13346 1 16 . 1 1 60 60 ARG N N 60 132.300 132.300 125.562 6.738 17577 13347 1 16 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.650 -0.070 17577 13348 1 16 . 1 1 60 60 ARG C C 60 174.000 174.000 174.073 -0.073 17577 13349 1 16 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.758 0.742 17577 13350 1 16 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.585 -0.185 17577 13351 1 16 . 1 1 60 60 ARG H H 60 9.120 9.120 8.530 0.590 17577 13352 1 16 . 1 1 61 61 LYS N N 61 126.200 126.200 127.000 -0.800 17577 13353 1 16 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.533 -0.013 17577 13354 1 16 . 1 1 61 61 LYS C C 61 175.900 175.900 175.200 0.700 17577 13355 1 16 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.054 1.046 17577 13356 1 16 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.192 0.908 17577 13357 1 16 . 1 1 61 61 LYS H H 61 8.500 8.500 8.463 0.037 17577 13358 1 16 . 1 1 62 62 TRP N N 62 121.900 121.900 124.200 -2.300 17577 13359 1 16 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.957 -0.097 17577 13360 1 16 . 1 1 62 62 TRP C C 62 171.900 171.900 173.665 -1.765 17577 13361 1 16 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.086 1.614 17577 13362 1 16 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.080 1.220 17577 13363 1 16 . 1 1 62 62 TRP H H 62 8.070 8.070 8.917 -0.847 17577 13364 1 16 . 1 1 63 63 GLU N N 63 117.100 117.100 118.948 -1.848 17577 13365 1 16 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.329 1.281 17577 13366 1 16 . 1 1 63 63 GLU C C 63 175.500 175.500 174.714 0.786 17577 13367 1 16 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.516 0.684 17577 13368 1 16 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.140 2.960 17577 13369 1 16 . 1 1 63 63 GLU H H 63 8.450 8.450 8.269 0.181 17577 13370 1 16 . 1 1 64 64 THR N N 64 117.400 117.400 115.837 1.563 17577 13371 1 16 . 1 1 64 64 THR HA H 64 4.600 4.600 4.269 0.331 17577 13372 1 16 . 1 1 64 64 THR C C 64 171.800 171.800 172.544 -0.744 17577 13373 1 16 . 1 1 64 64 THR CA C 64 63.000 63.000 61.425 1.575 17577 13374 1 16 . 1 1 64 64 THR CB C 64 72.700 72.700 72.065 0.635 17577 13375 1 16 . 1 1 64 64 THR H H 64 8.980 8.980 7.834 1.146 17577 13376 1 16 . 1 1 65 65 THR N N 65 119.100 119.100 118.793 0.307 17577 13377 1 16 . 1 1 65 65 THR HA H 65 5.260 5.260 4.437 0.823 17577 13378 1 16 . 1 1 65 65 THR C C 65 173.700 173.700 173.810 -0.110 17577 13379 1 16 . 1 1 65 65 THR CA C 65 62.300 62.300 62.048 0.252 17577 13380 1 16 . 1 1 65 65 THR CB C 65 71.100 71.100 70.248 0.852 17577 13381 1 16 . 1 1 65 65 THR H H 65 8.380 8.380 8.300 0.080 17577 13382 1 16 . 1 1 66 66 PHE N N 66 123.400 123.400 126.142 -2.742 17577 13383 1 16 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.740 0.090 17577 13384 1 16 . 1 1 66 66 PHE C C 66 174.200 174.200 174.728 -0.528 17577 13385 1 16 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.738 3.362 17577 13386 1 16 . 1 1 66 66 PHE CB C 66 45.600 45.600 40.352 5.248 17577 13387 1 16 . 1 1 66 66 PHE H H 66 9.590 9.590 8.917 0.673 17577 13388 1 16 . 1 1 67 67 LYS N N 67 119.700 119.700 122.409 -2.709 17577 13389 1 16 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.885 0.635 17577 13390 1 16 . 1 1 67 67 LYS C C 67 176.500 176.500 176.432 0.068 17577 13391 1 16 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.781 0.719 17577 13392 1 16 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.106 1.194 17577 13393 1 16 . 1 1 67 67 LYS H H 67 8.880 8.880 8.302 0.578 17577 13394 1 16 . 1 1 68 68 LYS N N 68 129.100 129.100 120.217 8.883 17577 13395 1 16 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.010 0.870 17577 13396 1 16 . 1 1 68 68 LYS C C 68 177.400 177.400 175.259 2.141 17577 13397 1 16 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.316 1.385 17577 13398 1 16 . 1 1 68 68 LYS CB C 68 35.300 35.300 31.604 3.696 17577 13399 1 16 . 1 1 68 68 LYS H H 68 8.850 8.850 8.751 0.099 17577 13400 1 16 . 1 1 69 69 THR N N 69 118.500 118.500 112.535 5.965 17577 13401 1 16 . 1 1 69 69 THR HA H 69 4.710 4.710 4.890 -0.180 17577 13402 1 16 . 1 1 69 69 THR C C 69 174.600 174.600 174.279 0.321 17577 13403 1 16 . 1 1 69 69 THR CA C 69 61.900 61.900 61.752 0.148 17577 13404 1 16 . 1 1 69 69 THR CB C 69 70.800 70.800 68.443 2.357 17577 13405 1 16 . 1 1 69 69 THR H H 69 8.720 8.720 7.846 0.874 17577 13406 1 16 . 1 1 70 70 SER N N 70 111.800 111.800 120.143 -8.343 17577 13407 1 16 . 1 1 70 70 SER HA H 70 4.420 4.420 4.832 -0.412 17577 13408 1 16 . 1 1 70 70 SER C C 70 174.500 174.500 174.283 0.217 17577 13409 1 16 . 1 1 70 70 SER CA C 70 59.300 59.300 57.881 1.419 17577 13410 1 16 . 1 1 70 70 SER CB C 70 64.400 64.400 64.788 -0.388 17577 13411 1 16 . 1 1 70 70 SER H H 70 8.350 8.350 8.089 0.261 17577 13412 1 16 . 1 1 71 71 ASP N N 71 121.100 121.100 124.648 -3.548 17577 13413 1 16 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.364 0.016 17577 13414 1 16 . 1 1 71 71 ASP C C 71 175.600 175.600 176.687 -1.087 17577 13415 1 16 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.865 -0.765 17577 13416 1 16 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.919 2.081 17577 13417 1 16 . 1 1 71 71 ASP H H 71 7.960 7.960 8.504 -0.544 17577 13418 1 16 . 1 1 72 72 ASP N N 72 121.000 121.000 120.137 0.863 17577 13419 1 16 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.665 -0.215 17577 13420 1 16 . 1 1 72 72 ASP C C 72 175.900 175.900 176.550 -0.650 17577 13421 1 16 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.076 2.024 17577 13422 1 16 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.840 3.260 17577 13423 1 16 . 1 1 72 72 ASP H H 72 8.500 8.500 8.361 0.139 17577 13424 1 16 . 1 1 73 73 GLY N N 73 109.100 109.100 112.358 -3.258 17577 13425 1 16 . 1 1 73 73 GLY C C 73 172.800 172.800 174.010 -1.210 17577 13426 1 16 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.991 -0.491 17577 13427 1 16 . 1 1 73 73 GLY H H 73 8.200 8.200 7.927 0.273 17577 13428 1 16 . 1 1 74 74 GLU N N 74 123.300 123.300 124.901 -1.601 17577 13429 1 16 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.791 -0.021 17577 13430 1 16 . 1 1 74 74 GLU C C 74 173.600 173.600 174.647 -1.047 17577 13431 1 16 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.412 -0.012 17577 13432 1 16 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.729 -0.129 17577 13433 1 16 . 1 1 74 74 GLU H H 74 8.780 8.780 8.111 0.669 17577 13434 1 16 . 1 1 75 75 VAL N N 75 123.500 123.500 122.262 1.238 17577 13435 1 16 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.581 0.459 17577 13436 1 16 . 1 1 75 75 VAL C C 75 174.100 174.100 174.014 0.086 17577 13437 1 16 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.295 2.205 17577 13438 1 16 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.705 -1.705 17577 13439 1 16 . 1 1 75 75 VAL H H 75 7.870 7.870 8.339 -0.469 17577 13440 1 16 . 1 1 76 76 TYR N N 76 125.000 125.000 125.409 -0.409 17577 13441 1 16 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.064 0.176 17577 13442 1 16 . 1 1 76 76 TYR C C 76 174.300 174.300 173.228 1.072 17577 13443 1 16 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.126 2.674 17577 13444 1 16 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.327 2.373 17577 13445 1 16 . 1 1 76 76 TYR H H 76 9.360 9.360 8.567 0.793 17577 13446 1 16 . 1 1 77 77 TYR N N 77 120.500 120.500 127.283 -6.783 17577 13447 1 16 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.083 1.796 17577 13448 1 16 . 1 1 77 77 TYR C C 77 174.600 174.600 173.442 1.158 17577 13449 1 16 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.537 1.463 17577 13450 1 16 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.649 2.951 17577 13451 1 16 . 1 1 77 77 TYR H H 77 9.480 9.480 8.198 1.282 17577 13452 1 16 . 1 1 78 78 SER N N 78 125.100 125.100 122.080 3.020 17577 13453 1 16 . 1 1 78 78 SER HA H 78 4.830 4.830 4.774 0.056 17577 13454 1 16 . 1 1 78 78 SER C C 78 174.300 174.300 173.572 0.728 17577 13455 1 16 . 1 1 78 78 SER CA C 78 55.600 55.600 56.478 -0.878 17577 13456 1 16 . 1 1 78 78 SER CB C 78 64.400 64.400 63.739 0.661 17577 13457 1 16 . 1 1 78 78 SER H H 78 8.570 8.570 7.606 0.964 17577 13458 1 16 . 1 1 79 79 GLU N N 79 130.000 130.000 126.630 3.370 17577 13459 1 16 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.872 0.108 17577 13460 1 16 . 1 1 79 79 GLU C C 79 178.600 178.600 177.261 1.339 17577 13461 1 16 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.579 0.521 17577 13462 1 16 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.674 0.826 17577 13463 1 16 . 1 1 79 79 GLU H H 79 8.670 8.670 8.762 -0.092 17577 13464 1 16 . 1 1 80 80 GLU N N 80 118.900 118.900 118.991 -0.091 17577 13465 1 16 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.143 -0.143 17577 13466 1 16 . 1 1 80 80 GLU C C 80 177.700 177.700 177.002 0.698 17577 13467 1 16 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.833 1.167 17577 13468 1 16 . 1 1 80 80 GLU CB C 80 30.500 30.500 28.979 1.521 17577 13469 1 16 . 1 1 80 80 GLU H H 80 8.560 8.560 8.538 0.022 17577 13470 1 16 . 1 1 81 81 ALA N N 81 117.600 117.600 119.993 -2.393 17577 13471 1 16 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.369 0.021 17577 13472 1 16 . 1 1 81 81 ALA C C 81 176.000 176.000 177.008 -1.008 17577 13473 1 16 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.261 1.139 17577 13474 1 16 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.677 1.923 17577 13475 1 16 . 1 1 81 81 ALA H H 81 7.410 7.410 7.816 -0.406 17577 13476 1 16 . 1 1 82 82 LYS N N 82 118.300 118.300 116.663 1.637 17577 13477 1 16 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.759 0.111 17577 13478 1 16 . 1 1 82 82 LYS C C 82 175.100 175.100 174.586 0.514 17577 13479 1 16 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.251 -0.051 17577 13480 1 16 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.730 0.570 17577 13481 1 16 . 1 1 82 82 LYS H H 82 7.830 7.830 7.746 0.084 17577 13482 1 16 . 1 1 83 83 LYS N N 83 118.400 118.400 118.582 -0.182 17577 13483 1 16 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.801 0.639 17577 13484 1 16 . 1 1 83 83 LYS C C 83 172.400 172.400 173.888 -1.488 17577 13485 1 16 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.295 0.205 17577 13486 1 16 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.913 3.187 17577 13487 1 16 . 1 1 83 83 LYS H H 83 7.150 7.150 7.143 0.007 17577 13488 1 16 . 1 1 84 84 LYS N N 84 130.000 130.000 124.357 5.643 17577 13489 1 16 . 1 1 84 84 LYS HA H 84 5.680 5.680 3.980 1.700 17577 13490 1 16 . 1 1 84 84 LYS C C 84 174.900 174.900 174.002 0.898 17577 13491 1 16 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.093 1.607 17577 13492 1 16 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.107 1.893 17577 13493 1 16 . 1 1 84 84 LYS H H 84 9.540 9.540 8.243 1.297 17577 13494 1 16 . 1 1 85 85 VAL N N 85 121.100 121.100 117.769 3.331 17577 13495 1 16 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.069 -0.089 17577 13496 1 16 . 1 1 85 85 VAL C C 85 173.000 173.000 174.180 -1.180 17577 13497 1 16 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.980 1.420 17577 13498 1 16 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.807 0.893 17577 13499 1 16 . 1 1 85 85 VAL H H 85 9.510 9.510 7.857 1.653 17577 13500 1 16 . 1 1 86 86 GLU N N 86 123.700 123.700 127.553 -3.853 17577 13501 1 16 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.862 0.458 17577 13502 1 16 . 1 1 86 86 GLU C C 86 175.800 175.800 175.082 0.718 17577 13503 1 16 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.816 0.884 17577 13504 1 16 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.593 0.607 17577 13505 1 16 . 1 1 86 86 GLU H H 86 8.830 8.830 8.544 0.286 17577 13506 1 16 . 1 1 87 87 VAL N N 87 125.400 125.400 128.033 -2.633 17577 13507 1 16 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.010 0.160 17577 13508 1 16 . 1 1 87 87 VAL C C 87 176.000 176.000 174.518 1.482 17577 13509 1 16 . 1 1 87 87 VAL CA C 87 63.500 63.500 64.132 -0.632 17577 13510 1 16 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.078 -0.078 17577 13511 1 16 . 1 1 87 87 VAL H H 87 8.760 8.760 8.520 0.240 17577 13512 1 16 . 1 1 88 88 LEU N N 88 128.000 128.000 129.228 -1.228 17577 13513 1 16 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.617 -0.227 17577 13514 1 16 . 1 1 88 88 LEU C C 88 177.200 177.200 176.853 0.347 17577 13515 1 16 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.229 1.771 17577 13516 1 16 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.626 1.574 17577 13517 1 16 . 1 1 88 88 LEU H H 88 8.990 8.990 8.404 0.586 17577 13518 1 16 . 1 1 89 89 ASP N N 89 113.900 113.900 116.362 -2.462 17577 13519 1 16 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.745 0.035 17577 13520 1 16 . 1 1 89 89 ASP C C 89 173.900 173.900 173.986 -0.086 17577 13521 1 16 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.703 1.197 17577 13522 1 16 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.008 2.592 17577 13523 1 16 . 1 1 89 89 ASP H H 89 7.140 7.140 8.037 -0.897 17577 13524 1 16 . 1 1 90 90 THR N N 90 119.500 119.500 118.660 0.840 17577 13525 1 16 . 1 1 90 90 THR HA H 90 3.800 3.800 4.331 -0.531 17577 13526 1 16 . 1 1 90 90 THR C C 90 169.800 169.800 172.200 -2.400 17577 13527 1 16 . 1 1 90 90 THR CA C 90 61.500 61.500 61.975 -0.475 17577 13528 1 16 . 1 1 90 90 THR CB C 90 69.200 69.200 70.184 -0.984 17577 13529 1 16 . 1 1 90 90 THR H H 90 8.070 8.070 8.312 -0.242 17577 13530 1 16 . 1 1 91 91 ASP N N 91 122.400 122.400 126.005 -3.605 17577 13531 1 16 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.485 0.365 17577 13532 1 16 . 1 1 91 91 ASP C C 91 176.800 176.800 175.719 1.081 17577 13533 1 16 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.201 0.699 17577 13534 1 16 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.140 -0.240 17577 13535 1 16 . 1 1 91 91 ASP H H 91 6.790 6.790 8.107 -1.317 17577 13536 1 16 . 1 1 92 92 TYR N N 92 115.100 115.100 115.918 -0.818 17577 13537 1 16 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.831 -0.321 17577 13538 1 16 . 1 1 92 92 TYR C C 92 173.900 173.900 175.632 -1.732 17577 13539 1 16 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.469 3.830 17577 13540 1 16 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.535 1.065 17577 13541 1 16 . 1 1 92 92 TYR H H 92 9.420 9.420 7.314 2.106 17577 13542 1 16 . 1 1 93 93 LYS N N 93 112.300 112.300 118.791 -6.491 17577 13543 1 16 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.033 0.637 17577 13544 1 16 . 1 1 93 93 LYS C C 93 175.600 175.600 176.483 -0.883 17577 13545 1 16 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.400 1.101 17577 13546 1 16 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.708 5.093 17577 13547 1 16 . 1 1 93 93 LYS H H 93 8.080 8.080 8.139 -0.059 17577 13548 1 16 . 1 1 94 94 SER N N 94 120.300 120.300 107.996 12.304 17577 13549 1 16 . 1 1 94 94 SER HA H 94 4.820 4.820 4.539 0.281 17577 13550 1 16 . 1 1 94 94 SER CA C 94 61.200 61.200 58.677 2.523 17577 13551 1 16 . 1 1 94 94 SER CB C 94 68.800 68.800 65.671 3.129 17577 13552 1 16 . 1 1 94 94 SER H H 94 11.420 11.420 7.644 3.776 17577 13553 1 16 . 1 1 95 95 TYR N N 95 122.700 122.700 116.393 6.307 17577 13554 1 16 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.196 0.954 17577 13555 1 16 . 1 1 95 95 TYR C C 95 173.500 173.500 172.881 0.619 17577 13556 1 16 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.216 1.384 17577 13557 1 16 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.845 2.755 17577 13558 1 16 . 1 1 95 95 TYR H H 95 8.490 8.490 7.085 1.405 17577 13559 1 16 . 1 1 96 96 ALA N N 96 120.900 120.900 120.364 0.536 17577 13560 1 16 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.745 -0.195 17577 13561 1 16 . 1 1 96 96 ALA C C 96 174.700 174.700 174.959 -0.259 17577 13562 1 16 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.703 1.797 17577 13563 1 16 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.456 1.244 17577 13564 1 16 . 1 1 96 96 ALA H H 96 9.010 9.010 8.290 0.720 17577 13565 1 16 . 1 1 97 97 VAL N N 97 121.700 121.700 122.873 -1.173 17577 13566 1 16 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.462 -0.442 17577 13567 1 16 . 1 1 97 97 VAL C C 97 174.300 174.300 174.435 -0.135 17577 13568 1 16 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.077 3.123 17577 13569 1 16 . 1 1 97 97 VAL CB C 97 33.600 33.600 34.290 -0.690 17577 13570 1 16 . 1 1 97 97 VAL H H 97 9.310 9.310 8.990 0.320 17577 13571 1 16 . 1 1 98 98 ILE N N 98 129.600 129.600 125.298 4.302 17577 13572 1 16 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.757 0.293 17577 13573 1 16 . 1 1 98 98 ILE C C 98 174.000 174.000 173.342 0.658 17577 13574 1 16 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.050 0.150 17577 13575 1 16 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.472 0.228 17577 13576 1 16 . 1 1 98 98 ILE H H 98 9.550 9.550 8.267 1.283 17577 13577 1 16 . 1 1 99 99 TYR N N 99 128.100 128.100 129.491 -1.391 17577 13578 1 16 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.902 0.358 17577 13579 1 16 . 1 1 99 99 TYR C C 99 173.700 173.700 173.547 0.153 17577 13580 1 16 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.901 0.799 17577 13581 1 16 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.441 2.759 17577 13582 1 16 . 1 1 99 99 TYR H H 99 9.550 9.550 8.277 1.273 17577 13583 1 16 . 1 1 100 100 ALA N N 100 134.400 134.400 131.580 2.820 17577 13584 1 16 . 1 1 100 100 ALA HA H 100 5.720 5.720 4.900 0.820 17577 13585 1 16 . 1 1 100 100 ALA C C 100 175.500 175.500 175.392 0.108 17577 13586 1 16 . 1 1 100 100 ALA CA C 100 51.400 51.400 50.086 1.315 17577 13587 1 16 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.801 3.099 17577 13588 1 16 . 1 1 100 100 ALA H H 100 9.610 9.610 8.658 0.952 17577 13589 1 16 . 1 1 101 101 THR N N 101 116.200 116.200 116.735 -0.535 17577 13590 1 16 . 1 1 101 101 THR HA H 101 5.450 5.450 4.671 0.779 17577 13591 1 16 . 1 1 101 101 THR C C 101 173.600 173.600 172.697 0.903 17577 13592 1 16 . 1 1 101 101 THR CA C 101 62.000 62.000 61.005 0.995 17577 13593 1 16 . 1 1 101 101 THR CB C 101 73.100 73.100 71.265 1.835 17577 13594 1 16 . 1 1 101 101 THR H H 101 9.430 9.430 8.225 1.205 17577 13595 1 16 . 1 1 102 102 ARG N N 102 125.700 125.700 128.208 -2.508 17577 13596 1 16 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.762 0.448 17577 13597 1 16 . 1 1 102 102 ARG C C 102 173.900 173.900 173.715 0.185 17577 13598 1 16 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.759 0.741 17577 13599 1 16 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.456 2.644 17577 13600 1 16 . 1 1 102 102 ARG H H 102 8.970 8.970 8.154 0.816 17577 13601 1 16 . 1 1 103 103 VAL N N 103 122.100 122.100 126.423 -4.323 17577 13602 1 16 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.590 0.180 17577 13603 1 16 . 1 1 103 103 VAL C C 103 175.700 175.700 174.076 1.624 17577 13604 1 16 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.355 2.045 17577 13605 1 16 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.476 -0.076 17577 13606 1 16 . 1 1 103 103 VAL H H 103 7.870 7.870 8.040 -0.170 17577 13607 1 16 . 1 1 104 104 LYS N N 104 130.100 130.100 127.515 2.585 17577 13608 1 16 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.591 -0.131 17577 13609 1 16 . 1 1 104 104 LYS C C 104 175.400 175.400 175.850 -0.450 17577 13610 1 16 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.224 1.776 17577 13611 1 16 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.267 1.133 17577 13612 1 16 . 1 1 104 104 LYS H H 104 8.980 8.980 8.603 0.377 17577 13613 1 16 . 1 1 106 106 GLY N N 106 136.200 136.200 111.601 24.599 17577 13614 1 16 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.024 1.376 17577 13615 1 16 . 1 1 106 106 GLY H H 106 8.330 8.330 8.494 -0.164 17577 13616 1 16 . 1 1 107 107 ARG N N 107 121.300 121.300 120.731 0.569 17577 13617 1 16 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.704 -0.034 17577 13618 1 16 . 1 1 107 107 ARG C C 107 174.500 174.500 174.786 -0.286 17577 13619 1 16 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.719 0.681 17577 13620 1 16 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.238 -0.038 17577 13621 1 16 . 1 1 107 107 ARG H H 107 7.880 7.880 8.094 -0.214 17577 13622 1 16 . 1 1 108 108 THR N N 108 118.800 118.800 117.705 1.095 17577 13623 1 16 . 1 1 108 108 THR HA H 108 4.490 4.490 4.549 -0.059 17577 13624 1 16 . 1 1 108 108 THR C C 108 173.400 173.400 173.448 -0.048 17577 13625 1 16 . 1 1 108 108 THR CA C 108 64.100 64.100 61.529 2.571 17577 13626 1 16 . 1 1 108 108 THR CB C 108 69.800 69.800 70.571 -0.771 17577 13627 1 16 . 1 1 108 108 THR H H 108 8.650 8.650 8.363 0.287 17577 13628 1 16 . 1 1 109 109 LEU N N 109 128.900 128.900 124.921 3.979 17577 13629 1 16 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.903 -0.173 17577 13630 1 16 . 1 1 109 109 LEU C C 109 175.700 175.700 174.527 1.173 17577 13631 1 16 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.103 0.197 17577 13632 1 16 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.221 0.279 17577 13633 1 16 . 1 1 109 109 LEU H H 109 9.220 9.220 8.333 0.887 17577 13634 1 16 . 1 1 110 110 HIS N N 110 116.200 116.200 119.599 -3.399 17577 13635 1 16 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.115 0.925 17577 13636 1 16 . 1 1 110 110 HIS C C 110 175.300 175.300 173.312 1.988 17577 13637 1 16 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.219 1.081 17577 13638 1 16 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.058 2.442 17577 13639 1 16 . 1 1 110 110 HIS H H 110 8.490 8.490 8.578 -0.088 17577 13640 1 16 . 1 1 111 111 MET N N 111 123.400 123.400 117.245 6.155 17577 13641 1 16 . 1 1 111 111 MET HA H 111 4.550 4.550 4.743 -0.193 17577 13642 1 16 . 1 1 111 111 MET C C 111 174.000 174.000 173.502 0.498 17577 13643 1 16 . 1 1 111 111 MET CA C 111 56.600 56.600 54.768 1.832 17577 13644 1 16 . 1 1 111 111 MET CB C 111 37.800 37.800 37.036 0.764 17577 13645 1 16 . 1 1 111 111 MET H H 111 9.090 9.090 8.922 0.168 17577 13646 1 16 . 1 1 112 112 MET N N 112 122.900 122.900 121.121 1.779 17577 13647 1 16 . 1 1 112 112 MET HA H 112 5.670 5.670 5.334 0.336 17577 13648 1 16 . 1 1 112 112 MET C C 112 175.400 175.400 174.780 0.620 17577 13649 1 16 . 1 1 112 112 MET CA C 112 55.100 55.100 54.026 1.075 17577 13650 1 16 . 1 1 112 112 MET CB C 112 37.200 37.200 36.260 0.940 17577 13651 1 16 . 1 1 112 112 MET H H 112 9.120 9.120 8.359 0.761 17577 13652 1 16 . 1 1 113 113 ARG N N 113 119.500 119.500 122.985 -3.485 17577 13653 1 16 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.046 0.004 17577 13654 1 16 . 1 1 113 113 ARG C C 113 173.800 173.800 174.244 -0.444 17577 13655 1 16 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.949 1.051 17577 13656 1 16 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.741 4.859 17577 13657 1 16 . 1 1 113 113 ARG H H 113 9.390 9.390 8.510 0.880 17577 13658 1 16 . 1 1 114 114 LEU N N 114 124.400 124.400 125.317 -0.917 17577 13659 1 16 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.169 -0.139 17577 13660 1 16 . 1 1 114 114 LEU C C 114 174.200 174.200 174.416 -0.216 17577 13661 1 16 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.201 0.899 17577 13662 1 16 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.258 -0.358 17577 13663 1 16 . 1 1 114 114 LEU H H 114 8.020 8.020 8.940 -0.920 17577 13664 1 16 . 1 1 115 115 TYR N N 115 126.000 126.000 125.732 0.268 17577 13665 1 16 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.518 0.282 17577 13666 1 16 . 1 1 115 115 TYR C C 115 176.500 176.500 175.726 0.774 17577 13667 1 16 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.432 1.568 17577 13668 1 16 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.924 0.976 17577 13669 1 16 . 1 1 115 115 TYR H H 115 9.540 9.540 9.236 0.304 17577 13670 1 16 . 1 1 116 116 SER N N 116 113.200 113.200 114.844 -1.644 17577 13671 1 16 . 1 1 116 116 SER HA H 116 5.840 5.840 5.232 0.608 17577 13672 1 16 . 1 1 116 116 SER C C 116 175.400 175.400 174.524 0.876 17577 13673 1 16 . 1 1 116 116 SER CA C 116 56.600 56.600 55.258 1.342 17577 13674 1 16 . 1 1 116 116 SER CB C 116 67.700 67.700 65.015 2.685 17577 13675 1 16 . 1 1 116 116 SER H H 116 9.930 9.930 8.323 1.607 17577 13676 1 16 . 1 1 117 117 ARG N N 117 130.500 130.500 125.950 4.550 17577 13677 1 16 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.158 -0.478 17577 13678 1 16 . 1 1 117 117 ARG C C 117 175.400 175.400 175.804 -0.404 17577 13679 1 16 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.712 1.588 17577 13680 1 16 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.626 1.874 17577 13681 1 16 . 1 1 117 117 ARG H H 117 8.350 8.350 8.142 0.208 17577 13682 1 16 . 1 1 118 118 SER N N 118 111.300 111.300 110.543 0.757 17577 13683 1 16 . 1 1 118 118 SER HA H 118 4.990 4.990 4.825 0.165 17577 13684 1 16 . 1 1 118 118 SER C C 118 173.400 173.400 172.350 1.050 17577 13685 1 16 . 1 1 118 118 SER CA C 118 54.800 54.800 54.426 0.374 17577 13686 1 16 . 1 1 118 118 SER CB C 118 65.800 65.800 64.869 0.931 17577 13687 1 16 . 1 1 118 118 SER H H 118 7.980 7.980 7.524 0.456 17577 13688 1 16 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.420 -0.450 17577 13689 1 16 . 1 1 119 119 PRO C C 119 175.500 175.500 177.074 -1.574 17577 13690 1 16 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.625 0.475 17577 13691 1 16 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.908 0.292 17577 13692 1 16 . 1 1 120 120 GLU N N 120 117.500 117.500 118.086 -0.586 17577 13693 1 16 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.433 -0.173 17577 13694 1 16 . 1 1 120 120 GLU C C 120 174.500 174.500 175.052 -0.552 17577 13695 1 16 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.455 0.345 17577 13696 1 16 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.591 -0.891 17577 13697 1 16 . 1 1 120 120 GLU H H 120 7.410 7.410 7.683 -0.273 17577 13698 1 16 . 1 1 121 121 VAL N N 121 124.900 124.900 115.523 9.377 17577 13699 1 16 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.485 -0.345 17577 13700 1 16 . 1 1 121 121 VAL C C 121 174.400 174.400 175.777 -1.377 17577 13701 1 16 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.373 1.327 17577 13702 1 16 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.564 0.536 17577 13703 1 16 . 1 1 121 121 VAL H H 121 7.900 7.900 8.057 -0.157 17577 13704 1 16 . 1 1 122 122 SER N N 122 124.500 124.500 121.206 3.294 17577 13705 1 16 . 1 1 122 122 SER HA H 122 4.750 4.750 4.878 -0.129 17577 13706 1 16 . 1 1 122 122 SER CA C 122 57.300 57.300 54.641 2.659 17577 13707 1 16 . 1 1 122 122 SER CB C 122 64.500 64.500 64.467 0.033 17577 13708 1 16 . 1 1 122 122 SER H H 122 8.680 8.680 8.466 0.214 17577 13709 1 16 . 1 1 123 123 PRO C C 123 175.600 175.600 177.259 -1.659 17577 13710 1 16 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.494 0.406 17577 13711 1 16 . 1 1 124 124 ALA N N 124 120.100 120.100 118.556 1.544 17577 13712 1 16 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.161 -0.091 17577 13713 1 16 . 1 1 124 124 ALA C C 124 179.900 179.900 179.206 0.694 17577 13714 1 16 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.429 1.371 17577 13715 1 16 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.196 0.904 17577 13716 1 16 . 1 1 124 124 ALA H H 124 8.030 8.030 7.626 0.404 17577 13717 1 16 . 1 1 125 125 ALA N N 125 121.100 121.100 122.076 -0.976 17577 13718 1 16 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.136 0.294 17577 13719 1 16 . 1 1 125 125 ALA C C 125 179.200 179.200 179.458 -0.258 17577 13720 1 16 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.715 0.885 17577 13721 1 16 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.501 0.699 17577 13722 1 16 . 1 1 125 125 ALA H H 125 7.510 7.510 8.411 -0.901 17577 13723 1 16 . 1 1 126 126 THR N N 126 113.200 113.200 114.474 -1.274 17577 13724 1 16 . 1 1 126 126 THR HA H 126 4.150 4.150 4.143 0.007 17577 13725 1 16 . 1 1 126 126 THR C C 126 176.100 176.100 176.423 -0.323 17577 13726 1 16 . 1 1 126 126 THR CA C 126 68.900 68.900 66.890 2.010 17577 13727 1 16 . 1 1 126 126 THR CB C 126 67.700 67.700 68.664 -0.964 17577 13728 1 16 . 1 1 126 126 THR H H 126 7.820 7.820 7.732 0.088 17577 13729 1 16 . 1 1 127 127 ALA N N 127 123.100 123.100 124.767 -1.667 17577 13730 1 16 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.205 -0.125 17577 13731 1 16 . 1 1 127 127 ALA C C 127 181.100 181.100 179.143 1.957 17577 13732 1 16 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.855 1.345 17577 13733 1 16 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.245 0.455 17577 13734 1 16 . 1 1 127 127 ALA H H 127 7.900 7.900 7.777 0.123 17577 13735 1 16 . 1 1 128 128 ILE N N 128 120.900 120.900 119.780 1.120 17577 13736 1 16 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.802 -0.062 17577 13737 1 16 . 1 1 128 128 ILE C C 128 177.300 177.300 177.136 0.164 17577 13738 1 16 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.357 2.243 17577 13739 1 16 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.779 2.621 17577 13740 1 16 . 1 1 128 128 ILE H H 128 7.640 7.640 8.041 -0.401 17577 13741 1 16 . 1 1 129 129 PHE N N 129 120.300 120.300 120.529 -0.229 17577 13742 1 16 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.107 -0.097 17577 13743 1 16 . 1 1 129 129 PHE C C 129 176.100 176.100 177.260 -1.160 17577 13744 1 16 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.250 2.050 17577 13745 1 16 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.664 2.236 17577 13746 1 16 . 1 1 129 129 PHE H H 129 8.250 8.250 7.588 0.662 17577 13747 1 16 . 1 1 130 130 ARG N N 130 116.300 116.300 118.915 -2.615 17577 13748 1 16 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.603 -0.043 17577 13749 1 16 . 1 1 130 130 ARG C C 130 179.400 179.400 178.234 1.166 17577 13750 1 16 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.238 1.862 17577 13751 1 16 . 1 1 130 130 ARG CB C 130 30.600 30.600 29.961 0.639 17577 13752 1 16 . 1 1 130 130 ARG H H 130 8.650 8.650 7.936 0.714 17577 13753 1 16 . 1 1 131 131 LYS N N 131 122.200 122.200 121.206 0.994 17577 13754 1 16 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.957 0.073 17577 13755 1 16 . 1 1 131 131 LYS C C 131 179.300 179.300 178.866 0.434 17577 13756 1 16 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.738 0.762 17577 13757 1 16 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.271 0.929 17577 13758 1 16 . 1 1 131 131 LYS H H 131 8.020 8.020 8.107 -0.087 17577 13759 1 16 . 1 1 132 132 LEU N N 132 120.300 120.300 118.938 1.362 17577 13760 1 16 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.102 -0.172 17577 13761 1 16 . 1 1 132 132 LEU C C 132 179.600 179.600 179.191 0.409 17577 13762 1 16 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.982 0.618 17577 13763 1 16 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.278 1.222 17577 13764 1 16 . 1 1 132 132 LEU H H 132 8.450 8.450 7.687 0.763 17577 13765 1 16 . 1 1 133 133 ALA N N 133 122.400 122.400 120.286 2.114 17577 13766 1 16 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.703 0.267 17577 13767 1 16 . 1 1 133 133 ALA C C 133 180.400 180.400 179.851 0.549 17577 13768 1 16 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.764 1.236 17577 13769 1 16 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.969 -1.069 17577 13770 1 16 . 1 1 133 133 ALA H H 133 8.750 8.750 7.688 1.062 17577 13771 1 16 . 1 1 134 134 GLY N N 134 107.400 107.400 106.848 0.552 17577 13772 1 16 . 1 1 134 134 GLY C C 134 178.200 178.200 176.869 1.331 17577 13773 1 16 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.602 1.498 17577 13774 1 16 . 1 1 134 134 GLY H H 134 8.130 8.130 8.424 -0.294 17577 13775 1 16 . 1 1 135 135 GLU N N 135 121.900 121.900 121.344 0.556 17577 13776 1 16 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.063 -0.013 17577 13777 1 16 . 1 1 135 135 GLU C C 135 177.400 177.400 177.857 -0.457 17577 13778 1 16 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.656 0.644 17577 13779 1 16 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.690 0.710 17577 13780 1 16 . 1 1 135 135 GLU H H 135 7.730 7.730 7.839 -0.109 17577 13781 1 16 . 1 1 136 136 ARG N N 136 118.000 118.000 117.173 0.827 17577 13782 1 16 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.402 -0.252 17577 13783 1 16 . 1 1 136 136 ARG C C 136 173.500 173.500 175.167 -1.667 17577 13784 1 16 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.163 0.637 17577 13785 1 16 . 1 1 136 136 ARG CB C 136 28.900 28.900 29.939 -1.039 17577 13786 1 16 . 1 1 136 136 ARG H H 136 7.130 7.130 7.230 -0.100 17577 13787 1 16 . 1 1 137 137 ASN N N 137 109.600 109.600 115.282 -5.682 17577 13788 1 16 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.382 -0.232 17577 13789 1 16 . 1 1 137 137 ASN C C 137 174.200 174.200 174.172 0.028 17577 13790 1 16 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.386 1.614 17577 13791 1 16 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.649 0.551 17577 13792 1 16 . 1 1 137 137 ASN H H 137 7.560 7.560 8.401 -0.841 17577 13793 1 16 . 1 1 138 138 TYR N N 138 118.600 118.600 118.417 0.183 17577 13794 1 16 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.604 0.686 17577 13795 1 16 . 1 1 138 138 TYR C C 138 175.900 175.900 176.342 -0.442 17577 13796 1 16 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.856 0.844 17577 13797 1 16 . 1 1 138 138 TYR CB C 138 37.600 37.600 38.831 -1.232 17577 13798 1 16 . 1 1 138 138 TYR H H 138 8.020 8.020 8.095 -0.075 17577 13799 1 16 . 1 1 139 139 THR N N 139 115.000 115.000 115.979 -0.979 17577 13800 1 16 . 1 1 139 139 THR HA H 139 4.420 4.420 4.308 0.112 17577 13801 1 16 . 1 1 139 139 THR C C 139 175.500 175.500 175.882 -0.382 17577 13802 1 16 . 1 1 139 139 THR CA C 139 61.400 61.400 60.643 0.757 17577 13803 1 16 . 1 1 139 139 THR CB C 139 71.400 71.400 71.150 0.250 17577 13804 1 16 . 1 1 139 139 THR H H 139 7.740 7.740 7.783 -0.043 17577 13805 1 16 . 1 1 140 140 ASP N N 140 117.900 117.900 124.871 -6.971 17577 13806 1 16 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.248 0.012 17577 13807 1 16 . 1 1 140 140 ASP C C 140 178.400 178.400 177.914 0.486 17577 13808 1 16 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.447 1.553 17577 13809 1 16 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.851 1.949 17577 13810 1 16 . 1 1 140 140 ASP H H 140 8.630 8.630 8.885 -0.255 17577 13811 1 16 . 1 1 141 141 GLU N N 141 116.800 116.800 118.445 -1.645 17577 13812 1 16 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.077 0.193 17577 13813 1 16 . 1 1 141 141 GLU C C 141 176.200 176.200 177.657 -1.457 17577 13814 1 16 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.276 0.824 17577 13815 1 16 . 1 1 141 141 GLU CB C 141 30.100 30.100 28.762 1.337 17577 13816 1 16 . 1 1 141 141 GLU H H 141 8.500 8.500 7.961 0.539 17577 13817 1 16 . 1 1 142 142 MET N N 142 117.400 117.400 116.067 1.333 17577 13818 1 16 . 1 1 142 142 MET HA H 142 4.490 4.490 4.375 0.115 17577 13819 1 16 . 1 1 142 142 MET C C 142 172.900 172.900 175.701 -2.801 17577 13820 1 16 . 1 1 142 142 MET CA C 142 57.100 57.100 57.088 0.012 17577 13821 1 16 . 1 1 142 142 MET CB C 142 33.400 33.400 33.567 -0.167 17577 13822 1 16 . 1 1 142 142 MET H H 142 7.960 7.960 7.868 0.092 17577 13823 1 16 . 1 1 143 143 VAL N N 143 116.800 116.800 119.182 -2.382 17577 13824 1 16 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.781 0.009 17577 13825 1 16 . 1 1 143 143 VAL C C 143 175.600 175.600 174.102 1.498 17577 13826 1 16 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.766 2.434 17577 13827 1 16 . 1 1 143 143 VAL CB C 143 34.500 34.500 33.902 0.598 17577 13828 1 16 . 1 1 143 143 VAL H H 143 7.120 7.120 7.787 -0.667 17577 13829 1 16 . 1 1 144 144 ALA N N 144 131.000 131.000 132.465 -1.465 17577 13830 1 16 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.857 -0.047 17577 13831 1 16 . 1 1 144 144 ALA C C 144 175.800 175.800 176.538 -0.738 17577 13832 1 16 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.667 0.833 17577 13833 1 16 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.180 1.419 17577 13834 1 16 . 1 1 144 144 ALA H H 144 9.600 9.600 8.190 1.410 17577 13835 1 16 . 1 1 145 145 MET N N 145 122.400 122.400 123.133 -0.733 17577 13836 1 16 . 1 1 145 145 MET HA H 145 4.890 4.890 4.500 0.390 17577 13837 1 16 . 1 1 145 145 MET C C 145 176.900 176.900 175.830 1.070 17577 13838 1 16 . 1 1 145 145 MET CA C 145 54.000 54.000 55.282 -1.282 17577 13839 1 16 . 1 1 145 145 MET CB C 145 30.100 30.100 32.931 -2.831 17577 13840 1 16 . 1 1 145 145 MET H H 145 8.630 8.630 8.677 -0.047 17577 13841 1 16 . 1 1 146 146 LEU N N 146 125.400 125.400 124.966 0.434 17577 13842 1 16 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.848 -0.308 17577 13843 1 16 . 1 1 146 146 LEU C C 146 174.500 174.500 174.677 -0.177 17577 13844 1 16 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.484 2.416 17577 13845 1 16 . 1 1 146 146 LEU CB C 146 42.800 42.800 43.867 -1.067 17577 13846 1 16 . 1 1 146 146 LEU H H 146 7.880 7.880 8.298 -0.418 17577 13847 1 16 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.801 -0.221 17577 13848 1 16 . 1 1 147 147 PRO C C 147 176.200 176.200 177.302 -1.102 17577 13849 1 16 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.149 1.151 17577 13850 1 16 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.107 0.493 17577 13851 1 16 . 1 1 148 148 ARG N N 148 120.700 120.700 118.505 2.195 17577 13852 1 16 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.080 0.190 17577 13853 1 16 . 1 1 148 148 ARG C C 148 175.500 175.500 175.956 -0.456 17577 13854 1 16 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.342 0.958 17577 13855 1 16 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.866 2.534 17577 13856 1 16 . 1 1 148 148 ARG H H 148 8.540 8.540 8.600 -0.060 17577 13857 1 16 . 1 1 149 149 GLN N N 149 115.000 115.000 122.508 -7.508 17577 13858 1 16 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.132 0.588 17577 13859 1 16 . 1 1 149 149 GLN C C 149 174.300 174.300 174.489 -0.189 17577 13860 1 16 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.264 -1.364 17577 13861 1 16 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.095 0.605 17577 13862 1 16 . 1 1 149 149 GLN H H 149 7.770 7.770 8.123 -0.353 17577 13863 1 16 . 1 1 150 150 GLU N N 150 117.800 117.800 124.191 -6.391 17577 13864 1 16 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.549 -0.079 17577 13865 1 16 . 1 1 150 150 GLU C C 150 175.800 175.800 175.442 0.358 17577 13866 1 16 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.420 0.879 17577 13867 1 16 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.338 1.062 17577 13868 1 16 . 1 1 150 150 GLU H H 150 8.570 8.570 8.575 -0.005 17577 13869 1 16 . 1 1 151 151 GLU N N 151 119.200 119.200 120.660 -1.460 17577 13870 1 16 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.472 -0.212 17577 13871 1 16 . 1 1 151 151 GLU C C 151 176.000 176.000 175.348 0.652 17577 13872 1 16 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.722 2.778 17577 13873 1 16 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.732 1.468 17577 13874 1 16 . 1 1 151 151 GLU H H 151 8.000 8.000 8.711 -0.711 17577 13875 1 16 . 1 1 152 152 CYS N N 152 122.100 122.100 117.438 4.662 17577 13876 1 16 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.741 0.399 17577 13877 1 16 . 1 1 152 152 CYS C C 152 172.800 172.800 173.108 -0.308 17577 13878 1 16 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.303 -4.303 17577 13879 1 16 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.880 5.020 17577 13880 1 16 . 1 1 152 152 CYS H H 152 9.620 9.620 7.954 1.666 17577 13881 1 16 . 1 1 153 153 THR N N 153 118.000 118.000 113.575 4.425 17577 13882 1 16 . 1 1 153 153 THR HA H 153 4.860 4.860 4.598 0.262 17577 13883 1 16 . 1 1 153 153 THR C C 153 173.000 173.000 172.935 0.065 17577 13884 1 16 . 1 1 153 153 THR CA C 153 59.800 59.800 61.474 -1.674 17577 13885 1 16 . 1 1 153 153 THR CB C 153 72.500 72.500 70.367 2.133 17577 13886 1 16 . 1 1 153 153 THR H H 153 8.490 8.490 8.044 0.446 17577 13887 1 16 . 1 1 154 154 VAL N N 154 114.900 114.900 119.786 -4.886 17577 13888 1 16 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.473 -0.353 17577 13889 1 16 . 1 1 154 154 VAL C C 154 175.500 175.500 174.713 0.787 17577 13890 1 16 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.226 0.774 17577 13891 1 16 . 1 1 154 154 VAL CB C 154 33.100 33.100 33.373 -0.274 17577 13892 1 16 . 1 1 154 154 VAL H H 154 6.920 6.920 8.221 -1.301 17577 13893 1 16 . 1 1 155 155 ASP N N 155 124.100 124.100 122.522 1.578 17577 13894 1 16 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.768 -0.278 17577 13895 1 16 . 1 1 155 155 ASP C C 155 175.800 175.800 174.730 1.070 17577 13896 1 16 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.253 2.447 17577 13897 1 16 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.525 -0.225 17577 13898 1 16 . 1 1 155 155 ASP H H 155 8.390 8.390 8.550 -0.160 17577 13899 1 16 . 1 1 156 156 GLU N N 156 121.000 121.000 120.416 0.584 17577 13900 1 16 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.600 -0.430 17577 13901 1 16 . 1 1 156 156 GLU C C 156 175.400 175.400 176.469 -1.069 17577 13902 1 16 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.736 1.764 17577 13903 1 16 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.925 1.475 17577 13904 1 16 . 1 1 156 156 GLU H H 156 8.450 8.450 8.435 0.015 17577 13905 1 17 . 1 1 4 4 PRO C C 4 175.800 175.800 175.490 0.310 17577 13906 1 17 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.696 -0.396 17577 13907 1 17 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.338 1.662 17577 13908 1 17 . 1 1 5 5 ASP N N 5 119.400 119.400 123.580 -4.180 17577 13909 1 17 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.564 -0.054 17577 13910 1 17 . 1 1 5 5 ASP C C 5 177.100 177.100 176.763 0.337 17577 13911 1 17 . 1 1 5 5 ASP CA C 5 54.800 54.800 56.327 -1.527 17577 13912 1 17 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.410 0.990 17577 13913 1 17 . 1 1 5 5 ASP H H 5 8.090 8.090 8.600 -0.510 17577 13914 1 17 . 1 1 6 6 ARG N N 6 124.800 124.800 121.228 3.572 17577 13915 1 17 . 1 1 6 6 ARG C C 6 177.300 177.300 177.419 -0.119 17577 13916 1 17 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.624 0.376 17577 13917 1 17 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.271 0.229 17577 13918 1 17 . 1 1 6 6 ARG H H 6 8.590 8.590 7.896 0.694 17577 13919 1 17 . 1 1 7 7 SER N N 7 113.800 113.800 113.780 0.020 17577 13920 1 17 . 1 1 7 7 SER CA C 7 62.400 62.400 61.052 1.348 17577 13921 1 17 . 1 1 7 7 SER CB C 7 63.800 63.800 62.207 1.593 17577 13922 1 17 . 1 1 7 7 SER H H 7 8.240 8.240 8.628 -0.388 17577 13923 1 17 . 1 1 8 8 GLU N N 8 120.200 120.200 119.790 0.410 17577 13924 1 17 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.080 0.250 17577 13925 1 17 . 1 1 8 8 GLU C C 8 177.100 177.100 177.542 -0.442 17577 13926 1 17 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.736 -0.036 17577 13927 1 17 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.266 1.634 17577 13928 1 17 . 1 1 8 8 GLU H H 8 8.030 8.030 8.233 -0.203 17577 13929 1 17 . 1 1 9 9 ILE N N 9 112.800 112.800 117.822 -5.022 17577 13930 1 17 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.695 0.655 17577 13931 1 17 . 1 1 9 9 ILE C C 9 175.000 175.000 175.124 -0.124 17577 13932 1 17 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.671 2.729 17577 13933 1 17 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.159 2.841 17577 13934 1 17 . 1 1 9 9 ILE H H 9 7.530 7.530 6.992 0.538 17577 13935 1 17 . 1 1 10 10 ALA N N 10 120.400 120.400 122.257 -1.857 17577 13936 1 17 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.569 -0.499 17577 13937 1 17 . 1 1 10 10 ALA C C 10 177.500 177.500 177.027 0.473 17577 13938 1 17 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.992 0.008 17577 13939 1 17 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.104 1.296 17577 13940 1 17 . 1 1 10 10 ALA H H 10 7.410 7.410 8.147 -0.737 17577 13941 1 17 . 1 1 11 11 GLY N N 11 108.300 108.300 109.713 -1.413 17577 13942 1 17 . 1 1 11 11 GLY C C 11 173.700 173.700 173.433 0.267 17577 13943 1 17 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.878 0.422 17577 13944 1 17 . 1 1 11 11 GLY H H 11 8.780 8.780 8.664 0.116 17577 13945 1 17 . 1 1 12 12 LYS N N 12 122.300 122.300 121.058 1.242 17577 13946 1 17 . 1 1 12 12 LYS HA H 12 4.830 4.830 5.093 -0.263 17577 13947 1 17 . 1 1 12 12 LYS C C 12 175.900 175.900 174.356 1.544 17577 13948 1 17 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.343 1.957 17577 13949 1 17 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.872 0.128 17577 13950 1 17 . 1 1 12 12 LYS H H 12 8.740 8.740 7.663 1.077 17577 13951 1 17 . 1 1 13 13 TRP N N 13 126.000 126.000 126.608 -0.608 17577 13952 1 17 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.026 -0.396 17577 13953 1 17 . 1 1 13 13 TRP C C 13 173.300 173.300 174.759 -1.459 17577 13954 1 17 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.455 1.245 17577 13955 1 17 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.977 3.423 17577 13956 1 17 . 1 1 13 13 TRP H H 13 9.440 9.440 9.693 -0.253 17577 13957 1 17 . 1 1 14 14 TYR N N 14 118.300 118.300 123.500 -5.200 17577 13958 1 17 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.044 0.006 17577 13959 1 17 . 1 1 14 14 TYR C C 14 175.400 175.400 174.976 0.424 17577 13960 1 17 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.290 1.510 17577 13961 1 17 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.619 0.881 17577 13962 1 17 . 1 1 14 14 TYR H H 14 9.370 9.370 9.140 0.230 17577 13963 1 17 . 1 1 15 15 VAL N N 15 124.200 124.200 124.311 -0.111 17577 13964 1 17 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.444 0.596 17577 13965 1 17 . 1 1 15 15 VAL C C 15 175.500 175.500 175.034 0.466 17577 13966 1 17 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.546 1.154 17577 13967 1 17 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.258 0.142 17577 13968 1 17 . 1 1 15 15 VAL H H 15 9.000 9.000 8.657 0.343 17577 13969 1 17 . 1 1 16 16 VAL N N 16 114.600 114.600 121.820 -7.220 17577 13970 1 17 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.529 0.121 17577 13971 1 17 . 1 1 16 16 VAL C C 16 175.900 175.900 173.962 1.938 17577 13972 1 17 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.611 1.589 17577 13973 1 17 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.863 0.737 17577 13974 1 17 . 1 1 16 16 VAL H H 16 8.420 8.420 8.789 -0.369 17577 13975 1 17 . 1 1 17 17 ALA N N 17 122.900 122.900 121.035 1.865 17577 13976 1 17 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.999 0.271 17577 13977 1 17 . 1 1 17 17 ALA C C 17 174.200 174.200 174.874 -0.674 17577 13978 1 17 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.259 0.841 17577 13979 1 17 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.230 2.870 17577 13980 1 17 . 1 1 17 17 ALA H H 17 7.590 7.590 7.303 0.287 17577 13981 1 17 . 1 1 18 18 LEU N N 18 118.000 118.000 118.346 -0.346 17577 13982 1 17 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.822 -0.382 17577 13983 1 17 . 1 1 18 18 LEU C C 18 176.100 176.100 175.245 0.855 17577 13984 1 17 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.099 1.901 17577 13985 1 17 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.593 4.207 17577 13986 1 17 . 1 1 18 18 LEU H H 18 8.570 8.570 8.169 0.401 17577 13987 1 17 . 1 1 19 19 ALA N N 19 120.300 120.300 120.437 -0.137 17577 13988 1 17 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.504 -0.074 17577 13989 1 17 . 1 1 19 19 ALA C C 19 174.400 174.400 176.327 -1.927 17577 13990 1 17 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.449 1.252 17577 13991 1 17 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.265 0.835 17577 13992 1 17 . 1 1 19 19 ALA H H 19 8.360 8.360 8.846 -0.486 17577 13993 1 17 . 1 1 20 20 SER N N 20 114.200 114.200 116.669 -2.469 17577 13994 1 17 . 1 1 20 20 SER HA H 20 3.890 3.890 4.922 -1.032 17577 13995 1 17 . 1 1 20 20 SER C C 20 170.700 170.700 172.300 -1.600 17577 13996 1 17 . 1 1 20 20 SER CA C 20 57.200 57.200 57.971 -0.770 17577 13997 1 17 . 1 1 20 20 SER CB C 20 64.200 64.200 65.080 -0.880 17577 13998 1 17 . 1 1 20 20 SER H H 20 7.450 7.450 8.854 -1.404 17577 13999 1 17 . 1 1 21 21 ASN N N 21 117.500 117.500 117.255 0.245 17577 14000 1 17 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.652 0.568 17577 14001 1 17 . 1 1 21 21 ASN C C 21 176.500 176.500 174.562 1.938 17577 14002 1 17 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.316 -0.817 17577 14003 1 17 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.608 -0.309 17577 14004 1 17 . 1 1 21 21 ASN H H 21 7.980 7.980 8.556 -0.576 17577 14005 1 17 . 1 1 22 22 THR N N 22 112.100 112.100 117.177 -5.077 17577 14006 1 17 . 1 1 22 22 THR HA H 22 4.420 4.420 3.810 0.610 17577 14007 1 17 . 1 1 22 22 THR C C 22 174.800 174.800 174.916 -0.116 17577 14008 1 17 . 1 1 22 22 THR CA C 22 63.200 63.200 61.753 1.447 17577 14009 1 17 . 1 1 22 22 THR CB C 22 71.800 71.800 68.337 3.463 17577 14010 1 17 . 1 1 22 22 THR H H 22 8.140 8.140 7.704 0.436 17577 14011 1 17 . 1 1 23 23 GLU N N 23 122.700 122.700 129.518 -6.818 17577 14012 1 17 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.817 0.933 17577 14013 1 17 . 1 1 23 23 GLU C C 23 178.800 178.800 178.179 0.621 17577 14014 1 17 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.349 1.951 17577 14015 1 17 . 1 1 23 23 GLU CB C 23 30.300 30.300 28.973 1.327 17577 14016 1 17 . 1 1 23 23 GLU H H 23 8.980 8.980 8.452 0.528 17577 14017 1 17 . 1 1 24 24 PHE N N 24 118.200 118.200 117.755 0.445 17577 14018 1 17 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.130 -0.150 17577 14019 1 17 . 1 1 24 24 PHE C C 24 175.900 175.900 177.916 -2.016 17577 14020 1 17 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.370 2.530 17577 14021 1 17 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.008 3.692 17577 14022 1 17 . 1 1 24 24 PHE H H 24 8.610 8.610 6.456 2.154 17577 14023 1 17 . 1 1 25 25 PHE N N 25 119.000 119.000 116.732 2.268 17577 14024 1 17 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.488 -0.648 17577 14025 1 17 . 1 1 25 25 PHE C C 25 176.500 176.500 177.917 -1.417 17577 14026 1 17 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.671 5.129 17577 14027 1 17 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.857 2.543 17577 14028 1 17 . 1 1 25 25 PHE H H 25 7.730 7.730 6.999 0.731 17577 14029 1 17 . 1 1 26 26 LEU N N 26 115.900 115.900 122.291 -6.391 17577 14030 1 17 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.116 -0.386 17577 14031 1 17 . 1 1 26 26 LEU C C 26 179.200 179.200 178.627 0.573 17577 14032 1 17 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.697 1.003 17577 14033 1 17 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.862 0.138 17577 14034 1 17 . 1 1 26 26 LEU H H 26 8.380 8.380 8.822 -0.442 17577 14035 1 17 . 1 1 27 27 ARG N N 27 116.900 116.900 119.182 -2.282 17577 14036 1 17 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.014 0.096 17577 14037 1 17 . 1 1 27 27 ARG C C 27 178.400 178.400 177.807 0.593 17577 14038 1 17 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.063 0.137 17577 14039 1 17 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.125 1.975 17577 14040 1 17 . 1 1 27 27 ARG H H 27 7.720 7.720 8.445 -0.725 17577 14041 1 17 . 1 1 28 28 GLU N N 28 116.000 116.000 117.791 -1.791 17577 14042 1 17 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.293 0.067 17577 14043 1 17 . 1 1 28 28 GLU C C 28 178.200 178.200 179.014 -0.814 17577 14044 1 17 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.742 -2.042 17577 14045 1 17 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.109 0.791 17577 14046 1 17 . 1 1 28 28 GLU H H 28 7.660 7.660 7.660 -0.000 17577 14047 1 17 . 1 1 29 29 LYS N N 29 120.700 120.700 120.278 0.422 17577 14048 1 17 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.090 0.050 17577 14049 1 17 . 1 1 29 29 LYS C C 29 177.900 177.900 178.785 -0.885 17577 14050 1 17 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.417 0.483 17577 14051 1 17 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.270 -0.870 17577 14052 1 17 . 1 1 29 29 LYS H H 29 7.910 7.910 8.678 -0.768 17577 14053 1 17 . 1 1 30 30 ASP N N 30 118.800 118.800 117.002 1.798 17577 14054 1 17 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.510 -0.120 17577 14055 1 17 . 1 1 30 30 ASP C C 30 177.000 177.000 177.441 -0.441 17577 14056 1 17 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.287 0.913 17577 14057 1 17 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.580 0.020 17577 14058 1 17 . 1 1 30 30 ASP H H 30 8.390 8.390 7.898 0.492 17577 14059 1 17 . 1 1 31 31 LYS N N 31 118.000 118.000 116.288 1.712 17577 14060 1 17 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.406 -0.016 17577 14061 1 17 . 1 1 31 31 LYS C C 31 177.200 177.200 176.682 0.518 17577 14062 1 17 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.661 0.339 17577 14063 1 17 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.203 0.997 17577 14064 1 17 . 1 1 31 31 LYS H H 31 8.110 8.110 8.231 -0.121 17577 14065 1 17 . 1 1 32 32 MET N N 32 120.300 120.300 117.579 2.721 17577 14066 1 17 . 1 1 32 32 MET HA H 32 4.520 4.520 4.578 -0.058 17577 14067 1 17 . 1 1 32 32 MET C C 32 176.200 176.200 175.437 0.763 17577 14068 1 17 . 1 1 32 32 MET CA C 32 58.000 58.000 56.026 1.974 17577 14069 1 17 . 1 1 32 32 MET CB C 32 33.500 33.500 33.583 -0.083 17577 14070 1 17 . 1 1 32 32 MET H H 32 7.240 7.240 7.347 -0.107 17577 14071 1 17 . 1 1 33 33 LYS N N 33 120.200 120.200 117.080 3.120 17577 14072 1 17 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.545 0.155 17577 14073 1 17 . 1 1 33 33 LYS C C 33 173.000 173.000 176.324 -3.324 17577 14074 1 17 . 1 1 33 33 LYS CA C 33 56.100 56.100 53.992 2.108 17577 14075 1 17 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.203 4.897 17577 14076 1 17 . 1 1 33 33 LYS H H 33 8.560 8.560 7.989 0.571 17577 14077 1 17 . 1 1 34 34 MET N N 34 118.300 118.300 120.169 -1.869 17577 14078 1 17 . 1 1 34 34 MET HA H 34 4.080 4.080 4.142 -0.062 17577 14079 1 17 . 1 1 34 34 MET C C 34 173.800 173.800 175.394 -1.594 17577 14080 1 17 . 1 1 34 34 MET CA C 34 59.500 59.500 56.961 2.539 17577 14081 1 17 . 1 1 34 34 MET CB C 34 35.700 35.700 33.208 2.492 17577 14082 1 17 . 1 1 34 34 MET H H 34 8.370 8.370 8.074 0.296 17577 14083 1 17 . 1 1 35 35 ALA N N 35 126.000 126.000 126.025 -0.025 17577 14084 1 17 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.755 0.505 17577 14085 1 17 . 1 1 35 35 ALA C C 35 176.100 176.100 175.688 0.412 17577 14086 1 17 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.303 0.297 17577 14087 1 17 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.325 1.475 17577 14088 1 17 . 1 1 35 35 ALA H H 35 7.360 7.360 8.381 -1.021 17577 14089 1 17 . 1 1 36 36 MET N N 36 117.100 117.100 114.918 2.182 17577 14090 1 17 . 1 1 36 36 MET HA H 36 5.280 5.280 5.745 -0.465 17577 14091 1 17 . 1 1 36 36 MET C C 36 172.600 172.600 174.695 -2.095 17577 14092 1 17 . 1 1 36 36 MET CA C 36 56.100 56.100 52.460 3.640 17577 14093 1 17 . 1 1 36 36 MET CB C 36 39.600 39.600 36.619 2.981 17577 14094 1 17 . 1 1 36 36 MET H H 36 8.920 8.920 9.052 -0.132 17577 14095 1 17 . 1 1 37 37 ALA N N 37 121.700 121.700 120.182 1.518 17577 14096 1 17 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.782 0.648 17577 14097 1 17 . 1 1 37 37 ALA C C 37 175.400 175.400 174.754 0.646 17577 14098 1 17 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.882 -0.682 17577 14099 1 17 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.774 1.626 17577 14100 1 17 . 1 1 37 37 ALA H H 37 8.980 8.980 9.035 -0.055 17577 14101 1 17 . 1 1 38 38 ARG N N 38 120.400 120.400 120.707 -0.307 17577 14102 1 17 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.922 0.228 17577 14103 1 17 . 1 1 38 38 ARG C C 38 174.900 174.900 173.901 0.999 17577 14104 1 17 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.217 -0.017 17577 14105 1 17 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.860 0.740 17577 14106 1 17 . 1 1 38 38 ARG H H 38 9.180 9.180 8.013 1.167 17577 14107 1 17 . 1 1 39 39 ILE N N 39 126.000 126.000 125.250 0.750 17577 14108 1 17 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.770 0.150 17577 14109 1 17 . 1 1 39 39 ILE C C 39 175.100 175.100 174.412 0.688 17577 14110 1 17 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.973 1.227 17577 14111 1 17 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.181 0.219 17577 14112 1 17 . 1 1 39 39 ILE H H 39 8.930 8.930 8.569 0.361 17577 14113 1 17 . 1 1 40 40 SER N N 40 121.700 121.700 121.820 -0.120 17577 14114 1 17 . 1 1 40 40 SER HA H 40 4.630 4.630 4.860 -0.230 17577 14115 1 17 . 1 1 40 40 SER CA C 40 57.900 57.900 56.618 1.282 17577 14116 1 17 . 1 1 40 40 SER CB C 40 66.300 66.300 65.998 0.302 17577 14117 1 17 . 1 1 40 40 SER H H 40 8.780 8.780 8.897 -0.117 17577 14118 1 17 . 1 1 41 41 PHE N N 41 122.300 122.300 123.755 -1.455 17577 14119 1 17 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.597 0.053 17577 14120 1 17 . 1 1 41 41 PHE C C 41 175.900 175.900 175.556 0.344 17577 14121 1 17 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.602 2.498 17577 14122 1 17 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.487 2.212 17577 14123 1 17 . 1 1 41 41 PHE H H 41 9.080 9.080 8.926 0.154 17577 14124 1 17 . 1 1 42 42 LEU N N 42 125.100 125.100 125.419 -0.319 17577 14125 1 17 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.282 0.348 17577 14126 1 17 . 1 1 42 42 LEU C C 42 176.400 176.400 177.467 -1.067 17577 14127 1 17 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.507 -0.007 17577 14128 1 17 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.752 1.048 17577 14129 1 17 . 1 1 42 42 LEU H H 42 8.540 8.540 7.962 0.579 17577 14130 1 17 . 1 1 43 43 GLY N N 43 108.700 108.700 103.841 4.859 17577 14131 1 17 . 1 1 43 43 GLY C C 43 173.700 173.700 173.929 -0.229 17577 14132 1 17 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.990 0.909 17577 14133 1 17 . 1 1 43 43 GLY H H 43 8.310 8.310 7.813 0.497 17577 14134 1 17 . 1 1 44 44 GLU N N 44 120.300 120.300 120.755 -0.455 17577 14135 1 17 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.776 0.334 17577 14136 1 17 . 1 1 44 44 GLU C C 44 177.200 177.200 176.590 0.610 17577 14137 1 17 . 1 1 44 44 GLU CA C 44 59.600 59.600 58.860 0.740 17577 14138 1 17 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.570 1.230 17577 14139 1 17 . 1 1 44 44 GLU H H 44 8.900 8.900 8.818 0.082 17577 14140 1 17 . 1 1 45 45 ASP N N 45 115.200 115.200 115.202 -0.002 17577 14141 1 17 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.991 -0.121 17577 14142 1 17 . 1 1 45 45 ASP C C 45 174.500 174.500 176.012 -1.512 17577 14143 1 17 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.777 1.023 17577 14144 1 17 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.148 2.552 17577 14145 1 17 . 1 1 45 45 ASP H H 45 8.500 8.500 8.316 0.184 17577 14146 1 17 . 1 1 46 46 GLU N N 46 117.800 117.800 119.300 -1.500 17577 14147 1 17 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.984 0.586 17577 14148 1 17 . 1 1 46 46 GLU C C 46 174.800 174.800 173.513 1.287 17577 14149 1 17 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.487 -0.187 17577 14150 1 17 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.941 2.059 17577 14151 1 17 . 1 1 46 46 GLU H H 46 7.450 7.450 8.350 -0.900 17577 14152 1 17 . 1 1 47 47 LEU N N 47 124.200 124.200 121.037 3.163 17577 14153 1 17 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.038 -0.158 17577 14154 1 17 . 1 1 47 47 LEU C C 47 173.900 173.900 174.249 -0.349 17577 14155 1 17 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.967 2.333 17577 14156 1 17 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.726 0.374 17577 14157 1 17 . 1 1 47 47 LEU H H 47 9.160 9.160 8.578 0.582 17577 14158 1 17 . 1 1 48 48 LYS N N 48 123.800 123.800 121.744 2.056 17577 14159 1 17 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.386 0.564 17577 14160 1 17 . 1 1 48 48 LYS C C 48 174.300 174.300 174.183 0.117 17577 14161 1 17 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.369 0.631 17577 14162 1 17 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.690 1.110 17577 14163 1 17 . 1 1 48 48 LYS H H 48 9.020 9.020 8.477 0.543 17577 14164 1 17 . 1 1 49 49 VAL N N 49 126.600 126.600 126.419 0.181 17577 14165 1 17 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.739 -0.129 17577 14166 1 17 . 1 1 49 49 VAL C C 49 173.800 173.800 173.598 0.202 17577 14167 1 17 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.569 1.731 17577 14168 1 17 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.093 -0.793 17577 14169 1 17 . 1 1 49 49 VAL H H 49 8.920 8.920 8.012 0.908 17577 14170 1 17 . 1 1 50 50 SER N N 50 120.900 120.900 122.148 -1.248 17577 14171 1 17 . 1 1 50 50 SER HA H 50 4.860 4.860 4.717 0.143 17577 14172 1 17 . 1 1 50 50 SER CA C 50 57.300 57.300 56.724 0.576 17577 14173 1 17 . 1 1 50 50 SER CB C 50 65.100 65.100 65.392 -0.292 17577 14174 1 17 . 1 1 50 50 SER H H 50 8.360 8.360 8.739 -0.379 17577 14175 1 17 . 1 1 51 51 TYR N N 51 122.000 122.000 122.646 -0.646 17577 14176 1 17 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.673 0.177 17577 14177 1 17 . 1 1 51 51 TYR C C 51 176.800 176.800 174.095 2.705 17577 14178 1 17 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.930 1.270 17577 14179 1 17 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.707 1.893 17577 14180 1 17 . 1 1 51 51 TYR H H 51 8.990 8.990 8.342 0.648 17577 14181 1 17 . 1 1 52 52 ALA N N 52 124.000 124.000 126.223 -2.223 17577 14182 1 17 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.947 -0.077 17577 14183 1 17 . 1 1 52 52 ALA C C 52 174.800 174.800 175.038 -0.238 17577 14184 1 17 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.757 2.243 17577 14185 1 17 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.247 0.553 17577 14186 1 17 . 1 1 52 52 ALA H H 52 8.640 8.640 9.393 -0.753 17577 14187 1 17 . 1 1 53 53 VAL N N 53 124.300 124.300 124.665 -0.365 17577 14188 1 17 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.592 0.178 17577 14189 1 17 . 1 1 53 53 VAL C C 53 174.200 174.200 173.856 0.344 17577 14190 1 17 . 1 1 53 53 VAL CA C 53 59.300 59.300 59.453 -0.153 17577 14191 1 17 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.233 1.267 17577 14192 1 17 . 1 1 53 53 VAL H H 53 9.120 9.120 8.161 0.959 17577 14193 1 17 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.619 0.081 17577 14194 1 17 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.454 3.246 17577 14195 1 17 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.333 0.567 17577 14196 1 17 . 1 1 55 55 LYS N N 55 121.100 121.100 120.332 0.768 17577 14197 1 17 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.658 0.272 17577 14198 1 17 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.162 0.438 17577 14199 1 17 . 1 1 55 55 LYS CB C 55 33.400 33.400 35.212 -1.812 17577 14200 1 17 . 1 1 55 55 LYS H H 55 8.040 8.040 7.977 0.063 17577 14201 1 17 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.394 -0.114 17577 14202 1 17 . 1 1 56 56 PRO C C 56 177.200 177.200 177.019 0.181 17577 14203 1 17 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.298 2.102 17577 14204 1 17 . 1 1 56 56 PRO CB C 56 32.300 32.300 32.394 -0.094 17577 14205 1 17 . 1 1 57 57 ASN N N 57 114.200 114.200 118.326 -4.126 17577 14206 1 17 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.695 0.025 17577 14207 1 17 . 1 1 57 57 ASN C C 57 174.900 174.900 174.949 -0.049 17577 14208 1 17 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.050 0.950 17577 14209 1 17 . 1 1 57 57 ASN CB C 57 39.300 39.300 39.185 0.115 17577 14210 1 17 . 1 1 57 57 ASN H H 57 8.370 8.370 8.182 0.188 17577 14211 1 17 . 1 1 58 58 GLY N N 58 106.500 106.500 107.119 -0.619 17577 14212 1 17 . 1 1 58 58 GLY C C 58 172.000 172.000 173.449 -1.449 17577 14213 1 17 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.646 2.354 17577 14214 1 17 . 1 1 58 58 GLY H H 58 7.810 7.810 7.171 0.639 17577 14215 1 17 . 1 1 60 60 ARG N N 60 132.300 132.300 124.935 7.365 17577 14216 1 17 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.675 -0.095 17577 14217 1 17 . 1 1 60 60 ARG C C 60 174.000 174.000 174.115 -0.115 17577 14218 1 17 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.844 0.656 17577 14219 1 17 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.638 -0.238 17577 14220 1 17 . 1 1 60 60 ARG H H 60 9.120 9.120 8.501 0.619 17577 14221 1 17 . 1 1 61 61 LYS N N 61 126.200 126.200 126.951 -0.751 17577 14222 1 17 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.321 0.199 17577 14223 1 17 . 1 1 61 61 LYS C C 61 175.900 175.900 175.048 0.852 17577 14224 1 17 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.152 0.948 17577 14225 1 17 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.184 0.916 17577 14226 1 17 . 1 1 61 61 LYS H H 61 8.500 8.500 8.457 0.043 17577 14227 1 17 . 1 1 62 62 TRP N N 62 121.900 121.900 125.158 -3.258 17577 14228 1 17 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.938 -0.078 17577 14229 1 17 . 1 1 62 62 TRP C C 62 171.900 171.900 173.587 -1.687 17577 14230 1 17 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.412 1.288 17577 14231 1 17 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.314 0.986 17577 14232 1 17 . 1 1 62 62 TRP H H 62 8.070 8.070 8.901 -0.831 17577 14233 1 17 . 1 1 63 63 GLU N N 63 117.100 117.100 118.805 -1.705 17577 14234 1 17 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.070 1.540 17577 14235 1 17 . 1 1 63 63 GLU C C 63 175.500 175.500 174.261 1.239 17577 14236 1 17 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.537 0.663 17577 14237 1 17 . 1 1 63 63 GLU CB C 63 35.100 35.100 31.959 3.141 17577 14238 1 17 . 1 1 63 63 GLU H H 63 8.450 8.450 8.062 0.388 17577 14239 1 17 . 1 1 64 64 THR N N 64 117.400 117.400 115.920 1.480 17577 14240 1 17 . 1 1 64 64 THR HA H 64 4.600 4.600 4.160 0.440 17577 14241 1 17 . 1 1 64 64 THR C C 64 171.800 171.800 172.665 -0.865 17577 14242 1 17 . 1 1 64 64 THR CA C 64 63.000 63.000 61.328 1.672 17577 14243 1 17 . 1 1 64 64 THR CB C 64 72.700 72.700 72.361 0.339 17577 14244 1 17 . 1 1 64 64 THR H H 64 8.980 8.980 7.871 1.109 17577 14245 1 17 . 1 1 65 65 THR N N 65 119.100 119.100 119.069 0.031 17577 14246 1 17 . 1 1 65 65 THR HA H 65 5.260 5.260 4.434 0.826 17577 14247 1 17 . 1 1 65 65 THR C C 65 173.700 173.700 172.891 0.809 17577 14248 1 17 . 1 1 65 65 THR CA C 65 62.300 62.300 61.653 0.647 17577 14249 1 17 . 1 1 65 65 THR CB C 65 71.100 71.100 70.640 0.460 17577 14250 1 17 . 1 1 65 65 THR H H 65 8.380 8.380 8.197 0.183 17577 14251 1 17 . 1 1 66 66 PHE N N 66 123.400 123.400 123.909 -0.509 17577 14252 1 17 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.858 -0.028 17577 14253 1 17 . 1 1 66 66 PHE C C 66 174.200 174.200 174.934 -0.734 17577 14254 1 17 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.269 3.831 17577 14255 1 17 . 1 1 66 66 PHE CB C 66 45.600 45.600 39.887 5.713 17577 14256 1 17 . 1 1 66 66 PHE H H 66 9.590 9.590 8.666 0.924 17577 14257 1 17 . 1 1 67 67 LYS N N 67 119.700 119.700 122.404 -2.704 17577 14258 1 17 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.874 0.646 17577 14259 1 17 . 1 1 67 67 LYS C C 67 176.500 176.500 176.404 0.096 17577 14260 1 17 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.819 0.681 17577 14261 1 17 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.134 1.166 17577 14262 1 17 . 1 1 67 67 LYS H H 67 8.880 8.880 8.293 0.587 17577 14263 1 17 . 1 1 68 68 LYS N N 68 129.100 129.100 120.499 8.601 17577 14264 1 17 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.030 0.850 17577 14265 1 17 . 1 1 68 68 LYS C C 68 177.400 177.400 175.207 2.193 17577 14266 1 17 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.442 1.258 17577 14267 1 17 . 1 1 68 68 LYS CB C 68 35.300 35.300 31.714 3.586 17577 14268 1 17 . 1 1 68 68 LYS H H 68 8.850 8.850 8.765 0.085 17577 14269 1 17 . 1 1 69 69 THR N N 69 118.500 118.500 113.037 5.463 17577 14270 1 17 . 1 1 69 69 THR HA H 69 4.710 4.710 4.924 -0.214 17577 14271 1 17 . 1 1 69 69 THR C C 69 174.600 174.600 174.265 0.335 17577 14272 1 17 . 1 1 69 69 THR CA C 69 61.900 61.900 61.357 0.543 17577 14273 1 17 . 1 1 69 69 THR CB C 69 70.800 70.800 68.543 2.257 17577 14274 1 17 . 1 1 69 69 THR H H 69 8.720 8.720 7.901 0.819 17577 14275 1 17 . 1 1 70 70 SER N N 70 111.800 111.800 120.268 -8.468 17577 14276 1 17 . 1 1 70 70 SER HA H 70 4.420 4.420 4.862 -0.442 17577 14277 1 17 . 1 1 70 70 SER C C 70 174.500 174.500 174.444 0.056 17577 14278 1 17 . 1 1 70 70 SER CA C 70 59.300 59.300 58.058 1.242 17577 14279 1 17 . 1 1 70 70 SER CB C 70 64.400 64.400 65.259 -0.859 17577 14280 1 17 . 1 1 70 70 SER H H 70 8.350 8.350 8.141 0.209 17577 14281 1 17 . 1 1 71 71 ASP N N 71 121.100 121.100 124.728 -3.628 17577 14282 1 17 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.341 0.039 17577 14283 1 17 . 1 1 71 71 ASP C C 71 175.600 175.600 176.744 -1.144 17577 14284 1 17 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.510 -0.410 17577 14285 1 17 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.844 2.156 17577 14286 1 17 . 1 1 71 71 ASP H H 71 7.960 7.960 8.507 -0.547 17577 14287 1 17 . 1 1 72 72 ASP N N 72 121.000 121.000 119.847 1.153 17577 14288 1 17 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.652 -0.202 17577 14289 1 17 . 1 1 72 72 ASP C C 72 175.900 175.900 176.551 -0.651 17577 14290 1 17 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.045 2.054 17577 14291 1 17 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.831 3.269 17577 14292 1 17 . 1 1 72 72 ASP H H 72 8.500 8.500 8.341 0.159 17577 14293 1 17 . 1 1 73 73 GLY N N 73 109.100 109.100 112.417 -3.317 17577 14294 1 17 . 1 1 73 73 GLY C C 73 172.800 172.800 174.011 -1.211 17577 14295 1 17 . 1 1 73 73 GLY CA C 73 45.500 45.500 46.003 -0.503 17577 14296 1 17 . 1 1 73 73 GLY H H 73 8.200 8.200 7.924 0.276 17577 14297 1 17 . 1 1 74 74 GLU N N 74 123.300 123.300 124.915 -1.615 17577 14298 1 17 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.788 -0.018 17577 14299 1 17 . 1 1 74 74 GLU C C 74 173.600 173.600 174.639 -1.039 17577 14300 1 17 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.396 0.004 17577 14301 1 17 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.756 -0.157 17577 14302 1 17 . 1 1 74 74 GLU H H 74 8.780 8.780 8.105 0.675 17577 14303 1 17 . 1 1 75 75 VAL N N 75 123.500 123.500 122.256 1.244 17577 14304 1 17 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.566 0.474 17577 14305 1 17 . 1 1 75 75 VAL C C 75 174.100 174.100 174.007 0.093 17577 14306 1 17 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.286 2.214 17577 14307 1 17 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.676 -1.676 17577 14308 1 17 . 1 1 75 75 VAL H H 75 7.870 7.870 8.340 -0.470 17577 14309 1 17 . 1 1 76 76 TYR N N 76 125.000 125.000 125.457 -0.457 17577 14310 1 17 . 1 1 76 76 TYR HA H 76 5.240 5.240 5.063 0.177 17577 14311 1 17 . 1 1 76 76 TYR C C 76 174.300 174.300 173.230 1.070 17577 14312 1 17 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.126 2.674 17577 14313 1 17 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.279 2.421 17577 14314 1 17 . 1 1 76 76 TYR H H 76 9.360 9.360 8.551 0.809 17577 14315 1 17 . 1 1 77 77 TYR N N 77 120.500 120.500 127.151 -6.651 17577 14316 1 17 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.144 1.736 17577 14317 1 17 . 1 1 77 77 TYR C C 77 174.600 174.600 173.448 1.152 17577 14318 1 17 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.626 1.374 17577 14319 1 17 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.680 2.920 17577 14320 1 17 . 1 1 77 77 TYR H H 77 9.480 9.480 8.209 1.271 17577 14321 1 17 . 1 1 78 78 SER N N 78 125.100 125.100 122.523 2.577 17577 14322 1 17 . 1 1 78 78 SER HA H 78 4.830 4.830 4.747 0.083 17577 14323 1 17 . 1 1 78 78 SER C C 78 174.300 174.300 173.423 0.877 17577 14324 1 17 . 1 1 78 78 SER CA C 78 55.600 55.600 56.777 -1.177 17577 14325 1 17 . 1 1 78 78 SER CB C 78 64.400 64.400 64.280 0.120 17577 14326 1 17 . 1 1 78 78 SER H H 78 8.570 8.570 7.639 0.931 17577 14327 1 17 . 1 1 79 79 GLU N N 79 130.000 130.000 126.727 3.273 17577 14328 1 17 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.762 0.218 17577 14329 1 17 . 1 1 79 79 GLU C C 79 178.600 178.600 177.032 1.568 17577 14330 1 17 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.756 0.344 17577 14331 1 17 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.790 0.710 17577 14332 1 17 . 1 1 79 79 GLU H H 79 8.670 8.670 8.645 0.025 17577 14333 1 17 . 1 1 80 80 GLU N N 80 118.900 118.900 118.703 0.197 17577 14334 1 17 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.090 -0.090 17577 14335 1 17 . 1 1 80 80 GLU C C 80 177.700 177.700 177.095 0.605 17577 14336 1 17 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.960 1.040 17577 14337 1 17 . 1 1 80 80 GLU CB C 80 30.500 30.500 28.767 1.733 17577 14338 1 17 . 1 1 80 80 GLU H H 80 8.560 8.560 8.522 0.038 17577 14339 1 17 . 1 1 81 81 ALA N N 81 117.600 117.600 120.022 -2.422 17577 14340 1 17 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.366 0.024 17577 14341 1 17 . 1 1 81 81 ALA C C 81 176.000 176.000 176.848 -0.848 17577 14342 1 17 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.291 1.109 17577 14343 1 17 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.733 1.867 17577 14344 1 17 . 1 1 81 81 ALA H H 81 7.410 7.410 7.821 -0.411 17577 14345 1 17 . 1 1 82 82 LYS N N 82 118.300 118.300 116.697 1.603 17577 14346 1 17 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.757 0.113 17577 14347 1 17 . 1 1 82 82 LYS C C 82 175.100 175.100 174.495 0.605 17577 14348 1 17 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.190 0.011 17577 14349 1 17 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.715 0.585 17577 14350 1 17 . 1 1 82 82 LYS H H 82 7.830 7.830 7.774 0.056 17577 14351 1 17 . 1 1 83 83 LYS N N 83 118.400 118.400 118.694 -0.294 17577 14352 1 17 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.802 0.638 17577 14353 1 17 . 1 1 83 83 LYS C C 83 172.400 172.400 173.944 -1.544 17577 14354 1 17 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.333 0.167 17577 14355 1 17 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.865 3.235 17577 14356 1 17 . 1 1 83 83 LYS H H 83 7.150 7.150 7.155 -0.005 17577 14357 1 17 . 1 1 84 84 LYS N N 84 130.000 130.000 124.483 5.517 17577 14358 1 17 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.029 1.651 17577 14359 1 17 . 1 1 84 84 LYS C C 84 174.900 174.900 173.928 0.972 17577 14360 1 17 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.066 1.634 17577 14361 1 17 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.174 1.826 17577 14362 1 17 . 1 1 84 84 LYS H H 84 9.540 9.540 8.265 1.275 17577 14363 1 17 . 1 1 85 85 VAL N N 85 121.100 121.100 117.733 3.367 17577 14364 1 17 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.091 -0.111 17577 14365 1 17 . 1 1 85 85 VAL C C 85 173.000 173.000 174.179 -1.179 17577 14366 1 17 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.976 1.424 17577 14367 1 17 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.835 0.865 17577 14368 1 17 . 1 1 85 85 VAL H H 85 9.510 9.510 7.842 1.668 17577 14369 1 17 . 1 1 86 86 GLU N N 86 123.700 123.700 127.761 -4.061 17577 14370 1 17 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.844 0.476 17577 14371 1 17 . 1 1 86 86 GLU C C 86 175.800 175.800 175.041 0.759 17577 14372 1 17 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.930 0.770 17577 14373 1 17 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.660 0.540 17577 14374 1 17 . 1 1 86 86 GLU H H 86 8.830 8.830 8.601 0.229 17577 14375 1 17 . 1 1 87 87 VAL N N 87 125.400 125.400 128.356 -2.956 17577 14376 1 17 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.037 0.133 17577 14377 1 17 . 1 1 87 87 VAL C C 87 176.000 176.000 174.453 1.547 17577 14378 1 17 . 1 1 87 87 VAL CA C 87 63.500 63.500 64.240 -0.740 17577 14379 1 17 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.603 0.397 17577 14380 1 17 . 1 1 87 87 VAL H H 87 8.760 8.760 8.550 0.210 17577 14381 1 17 . 1 1 88 88 LEU N N 88 128.000 128.000 128.926 -0.926 17577 14382 1 17 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.606 -0.216 17577 14383 1 17 . 1 1 88 88 LEU C C 88 177.200 177.200 176.975 0.225 17577 14384 1 17 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.279 1.721 17577 14385 1 17 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.592 1.608 17577 14386 1 17 . 1 1 88 88 LEU H H 88 8.990 8.990 8.400 0.590 17577 14387 1 17 . 1 1 89 89 ASP N N 89 113.900 113.900 116.467 -2.567 17577 14388 1 17 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.772 0.008 17577 14389 1 17 . 1 1 89 89 ASP C C 89 173.900 173.900 174.013 -0.113 17577 14390 1 17 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.701 1.199 17577 14391 1 17 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.030 2.570 17577 14392 1 17 . 1 1 89 89 ASP H H 89 7.140 7.140 8.015 -0.875 17577 14393 1 17 . 1 1 90 90 THR N N 90 119.500 119.500 118.757 0.743 17577 14394 1 17 . 1 1 90 90 THR HA H 90 3.800 3.800 4.333 -0.533 17577 14395 1 17 . 1 1 90 90 THR C C 90 169.800 169.800 172.229 -2.429 17577 14396 1 17 . 1 1 90 90 THR CA C 90 61.500 61.500 61.993 -0.493 17577 14397 1 17 . 1 1 90 90 THR CB C 90 69.200 69.200 70.308 -1.108 17577 14398 1 17 . 1 1 90 90 THR H H 90 8.070 8.070 8.314 -0.244 17577 14399 1 17 . 1 1 91 91 ASP N N 91 122.400 122.400 125.720 -3.320 17577 14400 1 17 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.498 0.352 17577 14401 1 17 . 1 1 91 91 ASP C C 91 176.800 176.800 175.692 1.108 17577 14402 1 17 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.195 0.705 17577 14403 1 17 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.853 -0.953 17577 14404 1 17 . 1 1 91 91 ASP H H 91 6.790 6.790 8.124 -1.334 17577 14405 1 17 . 1 1 92 92 TYR N N 92 115.100 115.100 116.016 -0.916 17577 14406 1 17 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.838 -0.328 17577 14407 1 17 . 1 1 92 92 TYR C C 92 173.900 173.900 175.585 -1.685 17577 14408 1 17 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.427 3.873 17577 14409 1 17 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.497 1.103 17577 14410 1 17 . 1 1 92 92 TYR H H 92 9.420 9.420 7.324 2.096 17577 14411 1 17 . 1 1 93 93 LYS N N 93 112.300 112.300 118.556 -6.256 17577 14412 1 17 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.037 0.633 17577 14413 1 17 . 1 1 93 93 LYS C C 93 175.600 175.600 176.480 -0.880 17577 14414 1 17 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.244 1.256 17577 14415 1 17 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.749 5.051 17577 14416 1 17 . 1 1 93 93 LYS H H 93 8.080 8.080 8.159 -0.079 17577 14417 1 17 . 1 1 94 94 SER N N 94 120.300 120.300 107.307 12.993 17577 14418 1 17 . 1 1 94 94 SER HA H 94 4.820 4.820 4.522 0.298 17577 14419 1 17 . 1 1 94 94 SER CA C 94 61.200 61.200 58.376 2.825 17577 14420 1 17 . 1 1 94 94 SER CB C 94 68.800 68.800 65.656 3.144 17577 14421 1 17 . 1 1 94 94 SER H H 94 11.420 11.420 7.602 3.818 17577 14422 1 17 . 1 1 95 95 TYR N N 95 122.700 122.700 116.819 5.881 17577 14423 1 17 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.244 0.906 17577 14424 1 17 . 1 1 95 95 TYR C C 95 173.500 173.500 172.888 0.612 17577 14425 1 17 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.292 1.308 17577 14426 1 17 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.814 2.786 17577 14427 1 17 . 1 1 95 95 TYR H H 95 8.490 8.490 7.112 1.378 17577 14428 1 17 . 1 1 96 96 ALA N N 96 120.900 120.900 121.086 -0.186 17577 14429 1 17 . 1 1 96 96 ALA HA H 96 4.550 4.550 5.006 -0.456 17577 14430 1 17 . 1 1 96 96 ALA C C 96 174.700 174.700 175.076 -0.376 17577 14431 1 17 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.699 1.801 17577 14432 1 17 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.323 1.377 17577 14433 1 17 . 1 1 96 96 ALA H H 96 9.010 9.010 8.383 0.627 17577 14434 1 17 . 1 1 97 97 VAL N N 97 121.700 121.700 122.809 -1.109 17577 14435 1 17 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.438 -0.418 17577 14436 1 17 . 1 1 97 97 VAL C C 97 174.300 174.300 174.433 -0.133 17577 14437 1 17 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.097 3.103 17577 14438 1 17 . 1 1 97 97 VAL CB C 97 33.600 33.600 34.351 -0.751 17577 14439 1 17 . 1 1 97 97 VAL H H 97 9.310 9.310 9.003 0.307 17577 14440 1 17 . 1 1 98 98 ILE N N 98 129.600 129.600 125.226 4.374 17577 14441 1 17 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.763 0.287 17577 14442 1 17 . 1 1 98 98 ILE C C 98 174.000 174.000 173.343 0.657 17577 14443 1 17 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.053 0.147 17577 14444 1 17 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.455 0.245 17577 14445 1 17 . 1 1 98 98 ILE H H 98 9.550 9.550 8.242 1.308 17577 14446 1 17 . 1 1 99 99 TYR N N 99 128.100 128.100 129.409 -1.309 17577 14447 1 17 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.843 0.417 17577 14448 1 17 . 1 1 99 99 TYR C C 99 173.700 173.700 173.541 0.159 17577 14449 1 17 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.063 0.637 17577 14450 1 17 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.529 2.671 17577 14451 1 17 . 1 1 99 99 TYR H H 99 9.550 9.550 8.322 1.228 17577 14452 1 17 . 1 1 100 100 ALA N N 100 134.400 134.400 131.587 2.813 17577 14453 1 17 . 1 1 100 100 ALA HA H 100 5.720 5.720 4.958 0.762 17577 14454 1 17 . 1 1 100 100 ALA C C 100 175.500 175.500 175.418 0.082 17577 14455 1 17 . 1 1 100 100 ALA CA C 100 51.400 51.400 50.073 1.327 17577 14456 1 17 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.840 3.060 17577 14457 1 17 . 1 1 100 100 ALA H H 100 9.610 9.610 8.728 0.882 17577 14458 1 17 . 1 1 101 101 THR N N 101 116.200 116.200 116.881 -0.681 17577 14459 1 17 . 1 1 101 101 THR HA H 101 5.450 5.450 4.674 0.776 17577 14460 1 17 . 1 1 101 101 THR C C 101 173.600 173.600 172.693 0.907 17577 14461 1 17 . 1 1 101 101 THR CA C 101 62.000 62.000 60.996 1.004 17577 14462 1 17 . 1 1 101 101 THR CB C 101 73.100 73.100 71.334 1.766 17577 14463 1 17 . 1 1 101 101 THR H H 101 9.430 9.430 8.271 1.159 17577 14464 1 17 . 1 1 102 102 ARG N N 102 125.700 125.700 128.177 -2.477 17577 14465 1 17 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.769 0.441 17577 14466 1 17 . 1 1 102 102 ARG C C 102 173.900 173.900 173.786 0.114 17577 14467 1 17 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.752 0.748 17577 14468 1 17 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.522 2.578 17577 14469 1 17 . 1 1 102 102 ARG H H 102 8.970 8.970 8.116 0.854 17577 14470 1 17 . 1 1 103 103 VAL N N 103 122.100 122.100 126.251 -4.151 17577 14471 1 17 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.528 0.242 17577 14472 1 17 . 1 1 103 103 VAL C C 103 175.700 175.700 173.879 1.821 17577 14473 1 17 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.271 1.129 17577 14474 1 17 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.937 -0.537 17577 14475 1 17 . 1 1 103 103 VAL H H 103 7.870 7.870 8.054 -0.184 17577 14476 1 17 . 1 1 104 104 LYS N N 104 130.100 130.100 127.024 3.076 17577 14477 1 17 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.629 -0.169 17577 14478 1 17 . 1 1 104 104 LYS C C 104 175.400 175.400 175.794 -0.394 17577 14479 1 17 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.092 1.908 17577 14480 1 17 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.253 1.147 17577 14481 1 17 . 1 1 104 104 LYS H H 104 8.980 8.980 8.667 0.313 17577 14482 1 17 . 1 1 106 106 GLY N N 106 136.200 136.200 111.565 24.635 17577 14483 1 17 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.050 1.351 17577 14484 1 17 . 1 1 106 106 GLY H H 106 8.330 8.330 8.464 -0.134 17577 14485 1 17 . 1 1 107 107 ARG N N 107 121.300 121.300 120.599 0.701 17577 14486 1 17 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.714 -0.044 17577 14487 1 17 . 1 1 107 107 ARG C C 107 174.500 174.500 174.769 -0.269 17577 14488 1 17 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.784 0.616 17577 14489 1 17 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.257 -0.057 17577 14490 1 17 . 1 1 107 107 ARG H H 107 7.880 7.880 8.118 -0.238 17577 14491 1 17 . 1 1 108 108 THR N N 108 118.800 118.800 117.451 1.349 17577 14492 1 17 . 1 1 108 108 THR HA H 108 4.490 4.490 4.606 -0.116 17577 14493 1 17 . 1 1 108 108 THR C C 108 173.400 173.400 173.583 -0.183 17577 14494 1 17 . 1 1 108 108 THR CA C 108 64.100 64.100 61.476 2.624 17577 14495 1 17 . 1 1 108 108 THR CB C 108 69.800 69.800 70.599 -0.799 17577 14496 1 17 . 1 1 108 108 THR H H 108 8.650 8.650 8.366 0.284 17577 14497 1 17 . 1 1 109 109 LEU N N 109 128.900 128.900 123.873 5.027 17577 14498 1 17 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.753 -0.023 17577 14499 1 17 . 1 1 109 109 LEU C C 109 175.700 175.700 174.367 1.333 17577 14500 1 17 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.023 0.277 17577 14501 1 17 . 1 1 109 109 LEU CB C 109 46.500 46.500 45.996 0.504 17577 14502 1 17 . 1 1 109 109 LEU H H 109 9.220 9.220 8.290 0.930 17577 14503 1 17 . 1 1 110 110 HIS N N 110 116.200 116.200 119.519 -3.319 17577 14504 1 17 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.093 0.947 17577 14505 1 17 . 1 1 110 110 HIS C C 110 175.300 175.300 173.254 2.046 17577 14506 1 17 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.402 0.898 17577 14507 1 17 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.251 2.249 17577 14508 1 17 . 1 1 110 110 HIS H H 110 8.490 8.490 8.044 0.446 17577 14509 1 17 . 1 1 111 111 MET N N 111 123.400 123.400 117.403 5.997 17577 14510 1 17 . 1 1 111 111 MET HA H 111 4.550 4.550 4.893 -0.343 17577 14511 1 17 . 1 1 111 111 MET C C 111 174.000 174.000 173.461 0.539 17577 14512 1 17 . 1 1 111 111 MET CA C 111 56.600 56.600 54.778 1.822 17577 14513 1 17 . 1 1 111 111 MET CB C 111 37.800 37.800 37.006 0.794 17577 14514 1 17 . 1 1 111 111 MET H H 111 9.090 9.090 9.008 0.082 17577 14515 1 17 . 1 1 112 112 MET N N 112 122.900 122.900 121.078 1.822 17577 14516 1 17 . 1 1 112 112 MET HA H 112 5.670 5.670 5.376 0.294 17577 14517 1 17 . 1 1 112 112 MET C C 112 175.400 175.400 174.762 0.638 17577 14518 1 17 . 1 1 112 112 MET CA C 112 55.100 55.100 53.941 1.159 17577 14519 1 17 . 1 1 112 112 MET CB C 112 37.200 37.200 36.489 0.711 17577 14520 1 17 . 1 1 112 112 MET H H 112 9.120 9.120 8.331 0.789 17577 14521 1 17 . 1 1 113 113 ARG N N 113 119.500 119.500 122.790 -3.290 17577 14522 1 17 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.051 -0.001 17577 14523 1 17 . 1 1 113 113 ARG C C 113 173.800 173.800 174.247 -0.447 17577 14524 1 17 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.963 1.037 17577 14525 1 17 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.727 4.873 17577 14526 1 17 . 1 1 113 113 ARG H H 113 9.390 9.390 8.500 0.890 17577 14527 1 17 . 1 1 114 114 LEU N N 114 124.400 124.400 125.295 -0.895 17577 14528 1 17 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.133 -0.103 17577 14529 1 17 . 1 1 114 114 LEU C C 114 174.200 174.200 174.429 -0.229 17577 14530 1 17 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.151 0.949 17577 14531 1 17 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.193 -0.293 17577 14532 1 17 . 1 1 114 114 LEU H H 114 8.020 8.020 8.941 -0.921 17577 14533 1 17 . 1 1 115 115 TYR N N 115 126.000 126.000 126.331 -0.331 17577 14534 1 17 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.580 0.220 17577 14535 1 17 . 1 1 115 115 TYR C C 115 176.500 176.500 175.744 0.756 17577 14536 1 17 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.641 1.359 17577 14537 1 17 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.847 1.053 17577 14538 1 17 . 1 1 115 115 TYR H H 115 9.540 9.540 9.294 0.246 17577 14539 1 17 . 1 1 116 116 SER N N 116 113.200 113.200 115.039 -1.839 17577 14540 1 17 . 1 1 116 116 SER HA H 116 5.840 5.840 5.196 0.644 17577 14541 1 17 . 1 1 116 116 SER C C 116 175.400 175.400 174.610 0.790 17577 14542 1 17 . 1 1 116 116 SER CA C 116 56.600 56.600 55.636 0.964 17577 14543 1 17 . 1 1 116 116 SER CB C 116 67.700 67.700 65.336 2.364 17577 14544 1 17 . 1 1 116 116 SER H H 116 9.930 9.930 8.288 1.642 17577 14545 1 17 . 1 1 117 117 ARG N N 117 130.500 130.500 125.424 5.076 17577 14546 1 17 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.138 -0.458 17577 14547 1 17 . 1 1 117 117 ARG C C 117 175.400 175.400 175.753 -0.353 17577 14548 1 17 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.861 1.439 17577 14549 1 17 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.763 1.737 17577 14550 1 17 . 1 1 117 117 ARG H H 117 8.350 8.350 8.202 0.148 17577 14551 1 17 . 1 1 118 118 SER N N 118 111.300 111.300 110.287 1.013 17577 14552 1 17 . 1 1 118 118 SER HA H 118 4.990 4.990 4.644 0.346 17577 14553 1 17 . 1 1 118 118 SER C C 118 173.400 173.400 171.980 1.420 17577 14554 1 17 . 1 1 118 118 SER CA C 118 54.800 54.800 54.585 0.215 17577 14555 1 17 . 1 1 118 118 SER CB C 118 65.800 65.800 64.810 0.990 17577 14556 1 17 . 1 1 118 118 SER H H 118 7.980 7.980 7.490 0.490 17577 14557 1 17 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.447 -0.477 17577 14558 1 17 . 1 1 119 119 PRO C C 119 175.500 175.500 176.673 -1.173 17577 14559 1 17 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.332 0.768 17577 14560 1 17 . 1 1 119 119 PRO CB C 119 32.200 32.200 32.054 0.146 17577 14561 1 17 . 1 1 120 120 GLU N N 120 117.500 117.500 117.521 -0.021 17577 14562 1 17 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.355 -0.095 17577 14563 1 17 . 1 1 120 120 GLU C C 120 174.500 174.500 174.968 -0.468 17577 14564 1 17 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.653 0.147 17577 14565 1 17 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.839 -1.139 17577 14566 1 17 . 1 1 120 120 GLU H H 120 7.410 7.410 7.628 -0.218 17577 14567 1 17 . 1 1 121 121 VAL N N 121 124.900 124.900 114.845 10.055 17577 14568 1 17 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.494 -0.354 17577 14569 1 17 . 1 1 121 121 VAL C C 121 174.400 174.400 175.713 -1.313 17577 14570 1 17 . 1 1 121 121 VAL CA C 121 61.700 61.700 60.114 1.586 17577 14571 1 17 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.957 1.143 17577 14572 1 17 . 1 1 121 121 VAL H H 121 7.900 7.900 8.042 -0.142 17577 14573 1 17 . 1 1 122 122 SER N N 122 124.500 124.500 121.172 3.328 17577 14574 1 17 . 1 1 122 122 SER HA H 122 4.750 4.750 4.995 -0.245 17577 14575 1 17 . 1 1 122 122 SER CA C 122 57.300 57.300 55.254 2.046 17577 14576 1 17 . 1 1 122 122 SER CB C 122 64.500 64.500 63.733 0.767 17577 14577 1 17 . 1 1 122 122 SER H H 122 8.680 8.680 8.282 0.398 17577 14578 1 17 . 1 1 123 123 PRO C C 123 175.600 175.600 177.896 -2.296 17577 14579 1 17 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.697 0.203 17577 14580 1 17 . 1 1 124 124 ALA N N 124 120.100 120.100 118.894 1.206 17577 14581 1 17 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.205 -0.135 17577 14582 1 17 . 1 1 124 124 ALA C C 124 179.900 179.900 179.344 0.556 17577 14583 1 17 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.385 1.415 17577 14584 1 17 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.155 0.945 17577 14585 1 17 . 1 1 124 124 ALA H H 124 8.030 8.030 8.355 -0.325 17577 14586 1 17 . 1 1 125 125 ALA N N 125 121.100 121.100 122.030 -0.930 17577 14587 1 17 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.173 0.257 17577 14588 1 17 . 1 1 125 125 ALA C C 125 179.200 179.200 179.469 -0.269 17577 14589 1 17 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.746 0.854 17577 14590 1 17 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.504 0.696 17577 14591 1 17 . 1 1 125 125 ALA H H 125 7.510 7.510 8.452 -0.942 17577 14592 1 17 . 1 1 126 126 THR N N 126 113.200 113.200 114.364 -1.164 17577 14593 1 17 . 1 1 126 126 THR HA H 126 4.150 4.150 4.179 -0.029 17577 14594 1 17 . 1 1 126 126 THR C C 126 176.100 176.100 176.400 -0.300 17577 14595 1 17 . 1 1 126 126 THR CA C 126 68.900 68.900 66.665 2.235 17577 14596 1 17 . 1 1 126 126 THR CB C 126 67.700 67.700 68.577 -0.877 17577 14597 1 17 . 1 1 126 126 THR H H 126 7.820 7.820 7.728 0.092 17577 14598 1 17 . 1 1 127 127 ALA N N 127 123.100 123.100 124.805 -1.705 17577 14599 1 17 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.202 -0.122 17577 14600 1 17 . 1 1 127 127 ALA C C 127 181.100 181.100 179.190 1.910 17577 14601 1 17 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.848 1.352 17577 14602 1 17 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.225 0.475 17577 14603 1 17 . 1 1 127 127 ALA H H 127 7.900 7.900 7.762 0.138 17577 14604 1 17 . 1 1 128 128 ILE N N 128 120.900 120.900 119.770 1.130 17577 14605 1 17 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.790 -0.050 17577 14606 1 17 . 1 1 128 128 ILE C C 128 177.300 177.300 177.145 0.155 17577 14607 1 17 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.445 2.155 17577 14608 1 17 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.769 2.631 17577 14609 1 17 . 1 1 128 128 ILE H H 128 7.640 7.640 8.105 -0.465 17577 14610 1 17 . 1 1 129 129 PHE N N 129 120.300 120.300 120.424 -0.124 17577 14611 1 17 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.116 -0.106 17577 14612 1 17 . 1 1 129 129 PHE C C 129 176.100 176.100 177.127 -1.027 17577 14613 1 17 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.108 2.192 17577 14614 1 17 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.717 2.183 17577 14615 1 17 . 1 1 129 129 PHE H H 129 8.250 8.250 7.603 0.647 17577 14616 1 17 . 1 1 130 130 ARG N N 130 116.300 116.300 119.585 -3.285 17577 14617 1 17 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.620 -0.060 17577 14618 1 17 . 1 1 130 130 ARG C C 130 179.400 179.400 178.218 1.182 17577 14619 1 17 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.223 1.877 17577 14620 1 17 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.008 0.593 17577 14621 1 17 . 1 1 130 130 ARG H H 130 8.650 8.650 8.015 0.635 17577 14622 1 17 . 1 1 131 131 LYS N N 131 122.200 122.200 120.731 1.469 17577 14623 1 17 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.986 0.044 17577 14624 1 17 . 1 1 131 131 LYS C C 131 179.300 179.300 178.917 0.383 17577 14625 1 17 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.667 0.833 17577 14626 1 17 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.233 0.967 17577 14627 1 17 . 1 1 131 131 LYS H H 131 8.020 8.020 7.988 0.032 17577 14628 1 17 . 1 1 132 132 LEU N N 132 120.300 120.300 119.170 1.130 17577 14629 1 17 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.096 -0.166 17577 14630 1 17 . 1 1 132 132 LEU C C 132 179.600 179.600 179.244 0.356 17577 14631 1 17 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.972 0.628 17577 14632 1 17 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.208 1.292 17577 14633 1 17 . 1 1 132 132 LEU H H 132 8.450 8.450 7.782 0.668 17577 14634 1 17 . 1 1 133 133 ALA N N 133 122.400 122.400 120.182 2.218 17577 14635 1 17 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.760 0.210 17577 14636 1 17 . 1 1 133 133 ALA C C 133 180.400 180.400 179.851 0.549 17577 14637 1 17 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.762 1.238 17577 14638 1 17 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.998 -1.098 17577 14639 1 17 . 1 1 133 133 ALA H H 133 8.750 8.750 7.814 0.936 17577 14640 1 17 . 1 1 134 134 GLY N N 134 107.400 107.400 107.040 0.360 17577 14641 1 17 . 1 1 134 134 GLY C C 134 178.200 178.200 176.907 1.293 17577 14642 1 17 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.631 1.469 17577 14643 1 17 . 1 1 134 134 GLY H H 134 8.130 8.130 8.320 -0.190 17577 14644 1 17 . 1 1 135 135 GLU N N 135 121.900 121.900 120.287 1.613 17577 14645 1 17 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.066 -0.016 17577 14646 1 17 . 1 1 135 135 GLU C C 135 177.400 177.400 178.022 -0.622 17577 14647 1 17 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.393 0.907 17577 14648 1 17 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.663 0.737 17577 14649 1 17 . 1 1 135 135 GLU H H 135 7.730 7.730 7.861 -0.131 17577 14650 1 17 . 1 1 136 136 ARG N N 136 118.000 118.000 116.876 1.124 17577 14651 1 17 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.372 -0.222 17577 14652 1 17 . 1 1 136 136 ARG C C 136 173.500 173.500 175.247 -1.747 17577 14653 1 17 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.266 0.534 17577 14654 1 17 . 1 1 136 136 ARG CB C 136 28.900 28.900 29.925 -1.025 17577 14655 1 17 . 1 1 136 136 ARG H H 136 7.130 7.130 7.229 -0.099 17577 14656 1 17 . 1 1 137 137 ASN N N 137 109.600 109.600 114.945 -5.345 17577 14657 1 17 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.399 -0.249 17577 14658 1 17 . 1 1 137 137 ASN C C 137 174.200 174.200 174.229 -0.029 17577 14659 1 17 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.727 1.274 17577 14660 1 17 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.255 0.945 17577 14661 1 17 . 1 1 137 137 ASN H H 137 7.560 7.560 8.436 -0.876 17577 14662 1 17 . 1 1 138 138 TYR N N 138 118.600 118.600 118.807 -0.207 17577 14663 1 17 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.619 0.671 17577 14664 1 17 . 1 1 138 138 TYR C C 138 175.900 175.900 175.995 -0.095 17577 14665 1 17 . 1 1 138 138 TYR CA C 138 57.700 57.700 57.229 0.471 17577 14666 1 17 . 1 1 138 138 TYR CB C 138 37.600 37.600 38.889 -1.289 17577 14667 1 17 . 1 1 138 138 TYR H H 138 8.020 8.020 8.164 -0.144 17577 14668 1 17 . 1 1 139 139 THR N N 139 115.000 115.000 114.606 0.394 17577 14669 1 17 . 1 1 139 139 THR HA H 139 4.420 4.420 4.339 0.081 17577 14670 1 17 . 1 1 139 139 THR C C 139 175.500 175.500 175.838 -0.338 17577 14671 1 17 . 1 1 139 139 THR CA C 139 61.400 61.400 60.077 1.323 17577 14672 1 17 . 1 1 139 139 THR CB C 139 71.400 71.400 71.345 0.055 17577 14673 1 17 . 1 1 139 139 THR H H 139 7.740 7.740 7.735 0.005 17577 14674 1 17 . 1 1 140 140 ASP N N 140 117.900 117.900 124.571 -6.671 17577 14675 1 17 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.229 0.031 17577 14676 1 17 . 1 1 140 140 ASP C C 140 178.400 178.400 177.871 0.529 17577 14677 1 17 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.335 1.665 17577 14678 1 17 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.888 1.912 17577 14679 1 17 . 1 1 140 140 ASP H H 140 8.630 8.630 8.912 -0.282 17577 14680 1 17 . 1 1 141 141 GLU N N 141 116.800 116.800 118.458 -1.658 17577 14681 1 17 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.078 0.192 17577 14682 1 17 . 1 1 141 141 GLU C C 141 176.200 176.200 177.659 -1.459 17577 14683 1 17 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.288 0.812 17577 14684 1 17 . 1 1 141 141 GLU CB C 141 30.100 30.100 28.752 1.348 17577 14685 1 17 . 1 1 141 141 GLU H H 141 8.500 8.500 7.981 0.519 17577 14686 1 17 . 1 1 142 142 MET N N 142 117.400 117.400 116.084 1.316 17577 14687 1 17 . 1 1 142 142 MET HA H 142 4.490 4.490 4.396 0.094 17577 14688 1 17 . 1 1 142 142 MET C C 142 172.900 172.900 175.727 -2.827 17577 14689 1 17 . 1 1 142 142 MET CA C 142 57.100 57.100 57.098 0.002 17577 14690 1 17 . 1 1 142 142 MET CB C 142 33.400 33.400 33.611 -0.211 17577 14691 1 17 . 1 1 142 142 MET H H 142 7.960 7.960 7.882 0.078 17577 14692 1 17 . 1 1 143 143 VAL N N 143 116.800 116.800 119.271 -2.471 17577 14693 1 17 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.891 -0.101 17577 14694 1 17 . 1 1 143 143 VAL C C 143 175.600 175.600 174.140 1.460 17577 14695 1 17 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.694 2.506 17577 14696 1 17 . 1 1 143 143 VAL CB C 143 34.500 34.500 33.993 0.506 17577 14697 1 17 . 1 1 143 143 VAL H H 143 7.120 7.120 7.827 -0.707 17577 14698 1 17 . 1 1 144 144 ALA N N 144 131.000 131.000 132.439 -1.439 17577 14699 1 17 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.844 -0.034 17577 14700 1 17 . 1 1 144 144 ALA C C 144 175.800 175.800 176.544 -0.744 17577 14701 1 17 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.640 0.860 17577 14702 1 17 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.315 1.285 17577 14703 1 17 . 1 1 144 144 ALA H H 144 9.600 9.600 8.231 1.369 17577 14704 1 17 . 1 1 145 145 MET N N 145 122.400 122.400 123.138 -0.738 17577 14705 1 17 . 1 1 145 145 MET HA H 145 4.890 4.890 4.533 0.357 17577 14706 1 17 . 1 1 145 145 MET C C 145 176.900 176.900 175.911 0.989 17577 14707 1 17 . 1 1 145 145 MET CA C 145 54.000 54.000 55.023 -1.023 17577 14708 1 17 . 1 1 145 145 MET CB C 145 30.100 30.100 32.581 -2.481 17577 14709 1 17 . 1 1 145 145 MET H H 145 8.630 8.630 8.694 -0.064 17577 14710 1 17 . 1 1 146 146 LEU N N 146 125.400 125.400 125.777 -0.377 17577 14711 1 17 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.851 -0.311 17577 14712 1 17 . 1 1 146 146 LEU C C 146 174.500 174.500 174.663 -0.163 17577 14713 1 17 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.453 2.447 17577 14714 1 17 . 1 1 146 146 LEU CB C 146 42.800 42.800 43.952 -1.152 17577 14715 1 17 . 1 1 146 146 LEU H H 146 7.880 7.880 8.360 -0.480 17577 14716 1 17 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.800 -0.220 17577 14717 1 17 . 1 1 147 147 PRO C C 147 176.200 176.200 177.306 -1.106 17577 14718 1 17 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.138 1.162 17577 14719 1 17 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.092 0.508 17577 14720 1 17 . 1 1 148 148 ARG N N 148 120.700 120.700 119.569 1.131 17577 14721 1 17 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.096 0.174 17577 14722 1 17 . 1 1 148 148 ARG C C 148 175.500 175.500 176.133 -0.633 17577 14723 1 17 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.585 0.715 17577 14724 1 17 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.898 2.502 17577 14725 1 17 . 1 1 148 148 ARG H H 148 8.540 8.540 8.589 -0.049 17577 14726 1 17 . 1 1 149 149 GLN N N 149 115.000 115.000 122.153 -7.153 17577 14727 1 17 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.131 0.589 17577 14728 1 17 . 1 1 149 149 GLN C C 149 174.300 174.300 174.533 -0.233 17577 14729 1 17 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.215 -1.315 17577 14730 1 17 . 1 1 149 149 GLN CB C 149 29.700 29.700 29.288 0.412 17577 14731 1 17 . 1 1 149 149 GLN H H 149 7.770 7.770 8.139 -0.369 17577 14732 1 17 . 1 1 150 150 GLU N N 150 117.800 117.800 123.855 -6.055 17577 14733 1 17 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.563 -0.093 17577 14734 1 17 . 1 1 150 150 GLU C C 150 175.800 175.800 175.413 0.387 17577 14735 1 17 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.393 0.907 17577 14736 1 17 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.306 1.094 17577 14737 1 17 . 1 1 150 150 GLU H H 150 8.570 8.570 8.598 -0.028 17577 14738 1 17 . 1 1 151 151 GLU N N 151 119.200 119.200 121.171 -1.971 17577 14739 1 17 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.464 -0.204 17577 14740 1 17 . 1 1 151 151 GLU C C 151 176.000 176.000 175.474 0.526 17577 14741 1 17 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.028 2.472 17577 14742 1 17 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.462 1.738 17577 14743 1 17 . 1 1 151 151 GLU H H 151 8.000 8.000 8.956 -0.956 17577 14744 1 17 . 1 1 152 152 CYS N N 152 122.100 122.100 117.366 4.734 17577 14745 1 17 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.733 0.407 17577 14746 1 17 . 1 1 152 152 CYS C C 152 172.800 172.800 173.081 -0.281 17577 14747 1 17 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.267 -4.266 17577 14748 1 17 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.049 4.851 17577 14749 1 17 . 1 1 152 152 CYS H H 152 9.620 9.620 7.924 1.696 17577 14750 1 17 . 1 1 153 153 THR N N 153 118.000 118.000 113.279 4.721 17577 14751 1 17 . 1 1 153 153 THR HA H 153 4.860 4.860 4.593 0.267 17577 14752 1 17 . 1 1 153 153 THR C C 153 173.000 173.000 172.952 0.048 17577 14753 1 17 . 1 1 153 153 THR CA C 153 59.800 59.800 61.450 -1.650 17577 14754 1 17 . 1 1 153 153 THR CB C 153 72.500 72.500 70.378 2.122 17577 14755 1 17 . 1 1 153 153 THR H H 153 8.490 8.490 8.037 0.453 17577 14756 1 17 . 1 1 154 154 VAL N N 154 114.900 114.900 119.911 -5.011 17577 14757 1 17 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.445 -0.325 17577 14758 1 17 . 1 1 154 154 VAL C C 154 175.500 175.500 175.686 -0.186 17577 14759 1 17 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.434 0.566 17577 14760 1 17 . 1 1 154 154 VAL CB C 154 33.100 33.100 33.478 -0.378 17577 14761 1 17 . 1 1 154 154 VAL H H 154 6.920 6.920 8.197 -1.277 17577 14762 1 17 . 1 1 155 155 ASP N N 155 124.100 124.100 123.197 0.903 17577 14763 1 17 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.476 0.014 17577 14764 1 17 . 1 1 155 155 ASP C C 155 175.800 175.800 175.380 0.420 17577 14765 1 17 . 1 1 155 155 ASP CA C 155 55.700 55.700 55.241 0.459 17577 14766 1 17 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.414 0.886 17577 14767 1 17 . 1 1 155 155 ASP H H 155 8.390 8.390 8.438 -0.048 17577 14768 1 17 . 1 1 156 156 GLU N N 156 121.000 121.000 119.865 1.135 17577 14769 1 17 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.479 -0.309 17577 14770 1 17 . 1 1 156 156 GLU C C 156 175.400 175.400 176.422 -1.022 17577 14771 1 17 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.535 1.966 17577 14772 1 17 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.498 1.902 17577 14773 1 17 . 1 1 156 156 GLU H H 156 8.450 8.450 8.480 -0.030 17577 14774 1 18 . 1 1 4 4 PRO C C 4 175.800 175.800 175.590 0.210 17577 14775 1 18 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.679 -0.379 17577 14776 1 18 . 1 1 4 4 PRO CB C 4 33.000 33.000 31.401 1.599 17577 14777 1 18 . 1 1 5 5 ASP N N 5 119.400 119.400 122.630 -3.230 17577 14778 1 18 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.484 0.026 17577 14779 1 18 . 1 1 5 5 ASP C C 5 177.100 177.100 176.992 0.108 17577 14780 1 18 . 1 1 5 5 ASP CA C 5 54.800 54.800 56.277 -1.477 17577 14781 1 18 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.304 1.096 17577 14782 1 18 . 1 1 5 5 ASP H H 5 8.090 8.090 7.815 0.275 17577 14783 1 18 . 1 1 6 6 ARG N N 6 124.800 124.800 121.179 3.621 17577 14784 1 18 . 1 1 6 6 ARG C C 6 177.300 177.300 177.559 -0.259 17577 14785 1 18 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.081 -0.081 17577 14786 1 18 . 1 1 6 6 ARG CB C 6 30.500 30.500 30.209 0.291 17577 14787 1 18 . 1 1 6 6 ARG H H 6 8.590 8.590 7.654 0.936 17577 14788 1 18 . 1 1 7 7 SER N N 7 113.800 113.800 113.373 0.427 17577 14789 1 18 . 1 1 7 7 SER CA C 7 62.400 62.400 61.142 1.258 17577 14790 1 18 . 1 1 7 7 SER CB C 7 63.800 63.800 62.406 1.394 17577 14791 1 18 . 1 1 7 7 SER H H 7 8.240 8.240 8.615 -0.375 17577 14792 1 18 . 1 1 8 8 GLU N N 8 120.200 120.200 119.832 0.368 17577 14793 1 18 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.056 0.274 17577 14794 1 18 . 1 1 8 8 GLU C C 8 177.100 177.100 177.501 -0.401 17577 14795 1 18 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.835 -0.135 17577 14796 1 18 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.336 1.564 17577 14797 1 18 . 1 1 8 8 GLU H H 8 8.030 8.030 7.815 0.215 17577 14798 1 18 . 1 1 9 9 ILE N N 9 112.800 112.800 118.169 -5.369 17577 14799 1 18 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.695 0.655 17577 14800 1 18 . 1 1 9 9 ILE C C 9 175.000 175.000 175.047 -0.047 17577 14801 1 18 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.680 2.720 17577 14802 1 18 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.333 2.667 17577 14803 1 18 . 1 1 9 9 ILE H H 9 7.530 7.530 7.039 0.491 17577 14804 1 18 . 1 1 10 10 ALA N N 10 120.400 120.400 122.328 -1.928 17577 14805 1 18 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.600 -0.530 17577 14806 1 18 . 1 1 10 10 ALA C C 10 177.500 177.500 177.022 0.478 17577 14807 1 18 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.017 -0.017 17577 14808 1 18 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.127 1.274 17577 14809 1 18 . 1 1 10 10 ALA H H 10 7.410 7.410 8.141 -0.731 17577 14810 1 18 . 1 1 11 11 GLY N N 11 108.300 108.300 109.211 -0.911 17577 14811 1 18 . 1 1 11 11 GLY C C 11 173.700 173.700 173.877 -0.177 17577 14812 1 18 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.970 0.330 17577 14813 1 18 . 1 1 11 11 GLY H H 11 8.780 8.780 8.721 0.059 17577 14814 1 18 . 1 1 12 12 LYS N N 12 122.300 122.300 121.423 0.877 17577 14815 1 18 . 1 1 12 12 LYS HA H 12 4.830 4.830 5.058 -0.228 17577 14816 1 18 . 1 1 12 12 LYS C C 12 175.900 175.900 174.312 1.588 17577 14817 1 18 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.305 1.995 17577 14818 1 18 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.677 0.323 17577 14819 1 18 . 1 1 12 12 LYS H H 12 8.740 8.740 7.608 1.132 17577 14820 1 18 . 1 1 13 13 TRP N N 13 126.000 126.000 126.406 -0.406 17577 14821 1 18 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.019 -0.389 17577 14822 1 18 . 1 1 13 13 TRP C C 13 173.300 173.300 174.805 -1.505 17577 14823 1 18 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.653 1.047 17577 14824 1 18 . 1 1 13 13 TRP CB C 13 35.400 35.400 32.210 3.190 17577 14825 1 18 . 1 1 13 13 TRP H H 13 9.440 9.440 9.739 -0.299 17577 14826 1 18 . 1 1 14 14 TYR N N 14 118.300 118.300 122.637 -4.337 17577 14827 1 18 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.106 -0.056 17577 14828 1 18 . 1 1 14 14 TYR C C 14 175.400 175.400 175.270 0.130 17577 14829 1 18 . 1 1 14 14 TYR CA C 14 58.800 58.800 56.408 2.392 17577 14830 1 18 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.342 1.158 17577 14831 1 18 . 1 1 14 14 TYR H H 14 9.370 9.370 9.166 0.204 17577 14832 1 18 . 1 1 15 15 VAL N N 15 124.200 124.200 123.844 0.356 17577 14833 1 18 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.440 0.600 17577 14834 1 18 . 1 1 15 15 VAL C C 15 175.500 175.500 175.304 0.196 17577 14835 1 18 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.685 1.015 17577 14836 1 18 . 1 1 15 15 VAL CB C 15 32.400 32.400 31.669 0.731 17577 14837 1 18 . 1 1 15 15 VAL H H 15 9.000 9.000 8.380 0.620 17577 14838 1 18 . 1 1 16 16 VAL N N 16 114.600 114.600 122.179 -7.579 17577 14839 1 18 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.520 0.130 17577 14840 1 18 . 1 1 16 16 VAL C C 16 175.900 175.900 174.081 1.819 17577 14841 1 18 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.504 1.696 17577 14842 1 18 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.589 1.011 17577 14843 1 18 . 1 1 16 16 VAL H H 16 8.420 8.420 8.294 0.126 17577 14844 1 18 . 1 1 17 17 ALA N N 17 122.900 122.900 120.933 1.967 17577 14845 1 18 . 1 1 17 17 ALA HA H 17 5.270 5.270 4.934 0.336 17577 14846 1 18 . 1 1 17 17 ALA C C 17 174.200 174.200 174.905 -0.705 17577 14847 1 18 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.156 0.944 17577 14848 1 18 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.105 2.995 17577 14849 1 18 . 1 1 17 17 ALA H H 17 7.590 7.590 7.293 0.297 17577 14850 1 18 . 1 1 18 18 LEU N N 18 118.000 118.000 118.513 -0.513 17577 14851 1 18 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.807 -0.367 17577 14852 1 18 . 1 1 18 18 LEU C C 18 176.100 176.100 175.251 0.849 17577 14853 1 18 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.155 1.845 17577 14854 1 18 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.590 4.210 17577 14855 1 18 . 1 1 18 18 LEU H H 18 8.570 8.570 8.175 0.395 17577 14856 1 18 . 1 1 19 19 ALA N N 19 120.300 120.300 119.655 0.645 17577 14857 1 18 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.417 0.013 17577 14858 1 18 . 1 1 19 19 ALA C C 19 174.400 174.400 176.120 -1.720 17577 14859 1 18 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.481 1.219 17577 14860 1 18 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.371 0.729 17577 14861 1 18 . 1 1 19 19 ALA H H 19 8.360 8.360 8.767 -0.407 17577 14862 1 18 . 1 1 20 20 SER N N 20 114.200 114.200 116.693 -2.493 17577 14863 1 18 . 1 1 20 20 SER HA H 20 3.890 3.890 5.053 -1.163 17577 14864 1 18 . 1 1 20 20 SER C C 20 170.700 170.700 172.480 -1.780 17577 14865 1 18 . 1 1 20 20 SER CA C 20 57.200 57.200 57.187 0.013 17577 14866 1 18 . 1 1 20 20 SER CB C 20 64.200 64.200 64.510 -0.310 17577 14867 1 18 . 1 1 20 20 SER H H 20 7.450 7.450 8.822 -1.371 17577 14868 1 18 . 1 1 21 21 ASN N N 21 117.500 117.500 116.869 0.631 17577 14869 1 18 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.661 0.559 17577 14870 1 18 . 1 1 21 21 ASN C C 21 176.500 176.500 175.017 1.483 17577 14871 1 18 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.267 -0.768 17577 14872 1 18 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.540 -0.240 17577 14873 1 18 . 1 1 21 21 ASN H H 21 7.980 7.980 8.628 -0.648 17577 14874 1 18 . 1 1 22 22 THR N N 22 112.100 112.100 117.354 -5.254 17577 14875 1 18 . 1 1 22 22 THR HA H 22 4.420 4.420 3.851 0.569 17577 14876 1 18 . 1 1 22 22 THR C C 22 174.800 174.800 174.748 0.052 17577 14877 1 18 . 1 1 22 22 THR CA C 22 63.200 63.200 61.833 1.367 17577 14878 1 18 . 1 1 22 22 THR CB C 22 71.800 71.800 68.883 2.917 17577 14879 1 18 . 1 1 22 22 THR H H 22 8.140 8.140 7.535 0.605 17577 14880 1 18 . 1 1 23 23 GLU N N 23 122.700 122.700 129.567 -6.867 17577 14881 1 18 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.826 0.924 17577 14882 1 18 . 1 1 23 23 GLU C C 23 178.800 178.800 178.261 0.539 17577 14883 1 18 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.494 1.806 17577 14884 1 18 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.044 1.256 17577 14885 1 18 . 1 1 23 23 GLU H H 23 8.980 8.980 8.451 0.529 17577 14886 1 18 . 1 1 24 24 PHE N N 24 118.200 118.200 117.865 0.335 17577 14887 1 18 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.151 -0.171 17577 14888 1 18 . 1 1 24 24 PHE C C 24 175.900 175.900 177.944 -2.044 17577 14889 1 18 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.416 2.484 17577 14890 1 18 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.062 3.638 17577 14891 1 18 . 1 1 24 24 PHE H H 24 8.610 8.610 6.549 2.061 17577 14892 1 18 . 1 1 25 25 PHE N N 25 119.000 119.000 116.672 2.328 17577 14893 1 18 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.492 -0.652 17577 14894 1 18 . 1 1 25 25 PHE C C 25 176.500 176.500 177.921 -1.421 17577 14895 1 18 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.731 5.069 17577 14896 1 18 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.879 2.521 17577 14897 1 18 . 1 1 25 25 PHE H H 25 7.730 7.730 7.081 0.649 17577 14898 1 18 . 1 1 26 26 LEU N N 26 115.900 115.900 121.919 -6.019 17577 14899 1 18 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.073 -0.343 17577 14900 1 18 . 1 1 26 26 LEU C C 26 179.200 179.200 178.417 0.783 17577 14901 1 18 . 1 1 26 26 LEU CA C 26 58.700 58.700 57.873 0.827 17577 14902 1 18 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.794 0.206 17577 14903 1 18 . 1 1 26 26 LEU H H 26 8.380 8.380 8.776 -0.396 17577 14904 1 18 . 1 1 27 27 ARG N N 27 116.900 116.900 119.205 -2.305 17577 14905 1 18 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.003 0.107 17577 14906 1 18 . 1 1 27 27 ARG C C 27 178.400 178.400 177.872 0.528 17577 14907 1 18 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.139 0.061 17577 14908 1 18 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.147 1.953 17577 14909 1 18 . 1 1 27 27 ARG H H 27 7.720 7.720 8.515 -0.795 17577 14910 1 18 . 1 1 28 28 GLU N N 28 116.000 116.000 117.672 -1.672 17577 14911 1 18 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.307 0.053 17577 14912 1 18 . 1 1 28 28 GLU C C 28 178.200 178.200 179.023 -0.823 17577 14913 1 18 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.694 -1.994 17577 14914 1 18 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.113 0.787 17577 14915 1 18 . 1 1 28 28 GLU H H 28 7.660 7.660 7.669 -0.009 17577 14916 1 18 . 1 1 29 29 LYS N N 29 120.700 120.700 120.333 0.367 17577 14917 1 18 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.103 0.037 17577 14918 1 18 . 1 1 29 29 LYS C C 29 177.900 177.900 178.690 -0.790 17577 14919 1 18 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.401 0.499 17577 14920 1 18 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.276 -0.876 17577 14921 1 18 . 1 1 29 29 LYS H H 29 7.910 7.910 8.660 -0.750 17577 14922 1 18 . 1 1 30 30 ASP N N 30 118.800 118.800 116.878 1.922 17577 14923 1 18 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.531 -0.141 17577 14924 1 18 . 1 1 30 30 ASP C C 30 177.000 177.000 177.445 -0.445 17577 14925 1 18 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.234 0.966 17577 14926 1 18 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.639 -0.039 17577 14927 1 18 . 1 1 30 30 ASP H H 30 8.390 8.390 7.888 0.502 17577 14928 1 18 . 1 1 31 31 LYS N N 31 118.000 118.000 116.667 1.333 17577 14929 1 18 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.407 -0.017 17577 14930 1 18 . 1 1 31 31 LYS C C 31 177.200 177.200 176.719 0.481 17577 14931 1 18 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.782 0.217 17577 14932 1 18 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.161 1.039 17577 14933 1 18 . 1 1 31 31 LYS H H 31 8.110 8.110 8.250 -0.140 17577 14934 1 18 . 1 1 32 32 MET N N 32 120.300 120.300 117.669 2.631 17577 14935 1 18 . 1 1 32 32 MET HA H 32 4.520 4.520 4.629 -0.109 17577 14936 1 18 . 1 1 32 32 MET C C 32 176.200 176.200 175.489 0.711 17577 14937 1 18 . 1 1 32 32 MET CA C 32 58.000 58.000 56.063 1.937 17577 14938 1 18 . 1 1 32 32 MET CB C 32 33.500 33.500 33.648 -0.148 17577 14939 1 18 . 1 1 32 32 MET H H 32 7.240 7.240 7.345 -0.105 17577 14940 1 18 . 1 1 33 33 LYS N N 33 120.200 120.200 117.491 2.709 17577 14941 1 18 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.587 0.113 17577 14942 1 18 . 1 1 33 33 LYS C C 33 173.000 173.000 176.180 -3.180 17577 14943 1 18 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.072 2.028 17577 14944 1 18 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.434 4.665 17577 14945 1 18 . 1 1 33 33 LYS H H 33 8.560 8.560 8.117 0.443 17577 14946 1 18 . 1 1 34 34 MET N N 34 118.300 118.300 120.343 -2.043 17577 14947 1 18 . 1 1 34 34 MET HA H 34 4.080 4.080 4.208 -0.128 17577 14948 1 18 . 1 1 34 34 MET C C 34 173.800 173.800 174.993 -1.193 17577 14949 1 18 . 1 1 34 34 MET CA C 34 59.500 59.500 56.884 2.616 17577 14950 1 18 . 1 1 34 34 MET CB C 34 35.700 35.700 33.385 2.315 17577 14951 1 18 . 1 1 34 34 MET H H 34 8.370 8.370 8.451 -0.081 17577 14952 1 18 . 1 1 35 35 ALA N N 35 126.000 126.000 126.564 -0.564 17577 14953 1 18 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.775 0.485 17577 14954 1 18 . 1 1 35 35 ALA C C 35 176.100 176.100 175.914 0.186 17577 14955 1 18 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.315 0.285 17577 14956 1 18 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.323 1.477 17577 14957 1 18 . 1 1 35 35 ALA H H 35 7.360 7.360 8.123 -0.763 17577 14958 1 18 . 1 1 36 36 MET N N 36 117.100 117.100 114.987 2.113 17577 14959 1 18 . 1 1 36 36 MET HA H 36 5.280 5.280 5.660 -0.380 17577 14960 1 18 . 1 1 36 36 MET C C 36 172.600 172.600 174.695 -2.095 17577 14961 1 18 . 1 1 36 36 MET CA C 36 56.100 56.100 52.465 3.635 17577 14962 1 18 . 1 1 36 36 MET CB C 36 39.600 39.600 36.381 3.219 17577 14963 1 18 . 1 1 36 36 MET H H 36 8.920 8.920 8.906 0.014 17577 14964 1 18 . 1 1 37 37 ALA N N 37 121.700 121.700 120.264 1.436 17577 14965 1 18 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.775 0.655 17577 14966 1 18 . 1 1 37 37 ALA C C 37 175.400 175.400 174.805 0.595 17577 14967 1 18 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.849 -0.649 17577 14968 1 18 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.765 1.635 17577 14969 1 18 . 1 1 37 37 ALA H H 37 8.980 8.980 8.975 0.005 17577 14970 1 18 . 1 1 38 38 ARG N N 38 120.400 120.400 120.683 -0.283 17577 14971 1 18 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.924 0.226 17577 14972 1 18 . 1 1 38 38 ARG C C 38 174.900 174.900 173.913 0.987 17577 14973 1 18 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.237 -0.037 17577 14974 1 18 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.856 0.744 17577 14975 1 18 . 1 1 38 38 ARG H H 38 9.180 9.180 8.020 1.160 17577 14976 1 18 . 1 1 39 39 ILE N N 39 126.000 126.000 125.369 0.631 17577 14977 1 18 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.742 0.178 17577 14978 1 18 . 1 1 39 39 ILE C C 39 175.100 175.100 174.388 0.712 17577 14979 1 18 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.900 1.300 17577 14980 1 18 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.097 0.303 17577 14981 1 18 . 1 1 39 39 ILE H H 39 8.930 8.930 8.550 0.380 17577 14982 1 18 . 1 1 40 40 SER N N 40 121.700 121.700 121.951 -0.251 17577 14983 1 18 . 1 1 40 40 SER HA H 40 4.630 4.630 4.784 -0.154 17577 14984 1 18 . 1 1 40 40 SER CA C 40 57.900 57.900 57.161 0.739 17577 14985 1 18 . 1 1 40 40 SER CB C 40 66.300 66.300 65.971 0.330 17577 14986 1 18 . 1 1 40 40 SER H H 40 8.780 8.780 8.901 -0.121 17577 14987 1 18 . 1 1 41 41 PHE N N 41 122.300 122.300 123.978 -1.678 17577 14988 1 18 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.613 0.037 17577 14989 1 18 . 1 1 41 41 PHE C C 41 175.900 175.900 175.543 0.357 17577 14990 1 18 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.880 2.220 17577 14991 1 18 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.224 2.476 17577 14992 1 18 . 1 1 41 41 PHE H H 41 9.080 9.080 8.922 0.158 17577 14993 1 18 . 1 1 42 42 LEU N N 42 125.100 125.100 125.176 -0.076 17577 14994 1 18 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.264 0.366 17577 14995 1 18 . 1 1 42 42 LEU C C 42 176.400 176.400 177.473 -1.073 17577 14996 1 18 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.535 -0.035 17577 14997 1 18 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.724 1.076 17577 14998 1 18 . 1 1 42 42 LEU H H 42 8.540 8.540 7.918 0.622 17577 14999 1 18 . 1 1 43 43 GLY N N 43 108.700 108.700 104.237 4.463 17577 15000 1 18 . 1 1 43 43 GLY C C 43 173.700 173.700 173.685 0.015 17577 15001 1 18 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.977 0.923 17577 15002 1 18 . 1 1 43 43 GLY H H 43 8.310 8.310 7.741 0.569 17577 15003 1 18 . 1 1 44 44 GLU N N 44 120.300 120.300 120.222 0.078 17577 15004 1 18 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.790 0.320 17577 15005 1 18 . 1 1 44 44 GLU C C 44 177.200 177.200 176.720 0.480 17577 15006 1 18 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.369 0.231 17577 15007 1 18 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.717 1.083 17577 15008 1 18 . 1 1 44 44 GLU H H 44 8.900 8.900 8.843 0.057 17577 15009 1 18 . 1 1 45 45 ASP N N 45 115.200 115.200 115.504 -0.304 17577 15010 1 18 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.827 0.043 17577 15011 1 18 . 1 1 45 45 ASP C C 45 174.500 174.500 175.767 -1.267 17577 15012 1 18 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.849 0.951 17577 15013 1 18 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.152 2.548 17577 15014 1 18 . 1 1 45 45 ASP H H 45 8.500 8.500 8.218 0.282 17577 15015 1 18 . 1 1 46 46 GLU N N 46 117.800 117.800 119.246 -1.446 17577 15016 1 18 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.980 0.590 17577 15017 1 18 . 1 1 46 46 GLU C C 46 174.800 174.800 173.557 1.243 17577 15018 1 18 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.469 -0.169 17577 15019 1 18 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.825 2.175 17577 15020 1 18 . 1 1 46 46 GLU H H 46 7.450 7.450 8.351 -0.901 17577 15021 1 18 . 1 1 47 47 LEU N N 47 124.200 124.200 121.051 3.149 17577 15022 1 18 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.040 -0.160 17577 15023 1 18 . 1 1 47 47 LEU C C 47 173.900 173.900 174.232 -0.332 17577 15024 1 18 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.950 2.349 17577 15025 1 18 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.754 0.346 17577 15026 1 18 . 1 1 47 47 LEU H H 47 9.160 9.160 8.644 0.516 17577 15027 1 18 . 1 1 48 48 LYS N N 48 123.800 123.800 121.759 2.041 17577 15028 1 18 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.381 0.569 17577 15029 1 18 . 1 1 48 48 LYS C C 48 174.300 174.300 174.185 0.115 17577 15030 1 18 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.329 0.671 17577 15031 1 18 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.718 1.082 17577 15032 1 18 . 1 1 48 48 LYS H H 48 9.020 9.020 8.471 0.549 17577 15033 1 18 . 1 1 49 49 VAL N N 49 126.600 126.600 126.447 0.153 17577 15034 1 18 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.771 -0.161 17577 15035 1 18 . 1 1 49 49 VAL C C 49 173.800 173.800 173.608 0.192 17577 15036 1 18 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.536 1.764 17577 15037 1 18 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.116 -0.816 17577 15038 1 18 . 1 1 49 49 VAL H H 49 8.920 8.920 7.918 1.002 17577 15039 1 18 . 1 1 50 50 SER N N 50 120.900 120.900 122.353 -1.453 17577 15040 1 18 . 1 1 50 50 SER HA H 50 4.860 4.860 4.739 0.121 17577 15041 1 18 . 1 1 50 50 SER CA C 50 57.300 57.300 56.969 0.331 17577 15042 1 18 . 1 1 50 50 SER CB C 50 65.100 65.100 65.366 -0.266 17577 15043 1 18 . 1 1 50 50 SER H H 50 8.360 8.360 8.781 -0.421 17577 15044 1 18 . 1 1 51 51 TYR N N 51 122.000 122.000 122.733 -0.733 17577 15045 1 18 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.688 0.162 17577 15046 1 18 . 1 1 51 51 TYR C C 51 176.800 176.800 174.063 2.737 17577 15047 1 18 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.848 1.352 17577 15048 1 18 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.749 1.851 17577 15049 1 18 . 1 1 51 51 TYR H H 51 8.990 8.990 8.349 0.641 17577 15050 1 18 . 1 1 52 52 ALA N N 52 124.000 124.000 126.157 -2.157 17577 15051 1 18 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.924 -0.054 17577 15052 1 18 . 1 1 52 52 ALA C C 52 174.800 174.800 175.018 -0.218 17577 15053 1 18 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.819 2.181 17577 15054 1 18 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.165 0.635 17577 15055 1 18 . 1 1 52 52 ALA H H 52 8.640 8.640 9.341 -0.701 17577 15056 1 18 . 1 1 53 53 VAL N N 53 124.300 124.300 124.554 -0.254 17577 15057 1 18 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.604 0.166 17577 15058 1 18 . 1 1 53 53 VAL C C 53 174.200 174.200 173.854 0.346 17577 15059 1 18 . 1 1 53 53 VAL CA C 53 59.300 59.300 59.379 -0.079 17577 15060 1 18 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.140 1.360 17577 15061 1 18 . 1 1 53 53 VAL H H 53 9.120 9.120 8.328 0.792 17577 15062 1 18 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.677 0.023 17577 15063 1 18 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.528 3.172 17577 15064 1 18 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.301 0.599 17577 15065 1 18 . 1 1 55 55 LYS N N 55 121.100 121.100 119.618 1.482 17577 15066 1 18 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.694 0.236 17577 15067 1 18 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.148 0.452 17577 15068 1 18 . 1 1 55 55 LYS CB C 55 33.400 33.400 35.233 -1.833 17577 15069 1 18 . 1 1 55 55 LYS H H 55 8.040 8.040 7.661 0.379 17577 15070 1 18 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.372 -0.092 17577 15071 1 18 . 1 1 56 56 PRO C C 56 177.200 177.200 177.410 -0.210 17577 15072 1 18 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.544 1.856 17577 15073 1 18 . 1 1 56 56 PRO CB C 56 32.300 32.300 32.309 -0.009 17577 15074 1 18 . 1 1 57 57 ASN N N 57 114.200 114.200 117.605 -3.405 17577 15075 1 18 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.658 0.062 17577 15076 1 18 . 1 1 57 57 ASN C C 57 174.900 174.900 175.382 -0.482 17577 15077 1 18 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.396 0.604 17577 15078 1 18 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.836 0.465 17577 15079 1 18 . 1 1 57 57 ASN H H 57 8.370 8.370 8.259 0.111 17577 15080 1 18 . 1 1 58 58 GLY N N 58 106.500 106.500 106.788 -0.288 17577 15081 1 18 . 1 1 58 58 GLY C C 58 172.000 172.000 173.280 -1.280 17577 15082 1 18 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.553 2.447 17577 15083 1 18 . 1 1 58 58 GLY H H 58 7.810 7.810 7.537 0.273 17577 15084 1 18 . 1 1 60 60 ARG N N 60 132.300 132.300 124.528 7.772 17577 15085 1 18 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.670 -0.090 17577 15086 1 18 . 1 1 60 60 ARG C C 60 174.000 174.000 174.080 -0.080 17577 15087 1 18 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.808 0.692 17577 15088 1 18 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.530 -0.130 17577 15089 1 18 . 1 1 60 60 ARG H H 60 9.120 9.120 8.673 0.447 17577 15090 1 18 . 1 1 61 61 LYS N N 61 126.200 126.200 126.898 -0.698 17577 15091 1 18 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.331 0.189 17577 15092 1 18 . 1 1 61 61 LYS C C 61 175.900 175.900 175.087 0.813 17577 15093 1 18 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.102 0.998 17577 15094 1 18 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.127 0.973 17577 15095 1 18 . 1 1 61 61 LYS H H 61 8.500 8.500 8.465 0.035 17577 15096 1 18 . 1 1 62 62 TRP N N 62 121.900 121.900 125.232 -3.332 17577 15097 1 18 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.941 -0.081 17577 15098 1 18 . 1 1 62 62 TRP C C 62 171.900 171.900 173.573 -1.673 17577 15099 1 18 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.416 1.284 17577 15100 1 18 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.333 0.967 17577 15101 1 18 . 1 1 62 62 TRP H H 62 8.070 8.070 8.926 -0.856 17577 15102 1 18 . 1 1 63 63 GLU N N 63 117.100 117.100 118.917 -1.817 17577 15103 1 18 . 1 1 63 63 GLU HA H 63 5.610 5.610 3.975 1.635 17577 15104 1 18 . 1 1 63 63 GLU C C 63 175.500 175.500 174.170 1.330 17577 15105 1 18 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.424 0.776 17577 15106 1 18 . 1 1 63 63 GLU CB C 63 35.100 35.100 31.823 3.277 17577 15107 1 18 . 1 1 63 63 GLU H H 63 8.450 8.450 8.063 0.387 17577 15108 1 18 . 1 1 64 64 THR N N 64 117.400 117.400 115.952 1.448 17577 15109 1 18 . 1 1 64 64 THR HA H 64 4.600 4.600 4.156 0.444 17577 15110 1 18 . 1 1 64 64 THR C C 64 171.800 171.800 172.650 -0.850 17577 15111 1 18 . 1 1 64 64 THR CA C 64 63.000 63.000 61.255 1.745 17577 15112 1 18 . 1 1 64 64 THR CB C 64 72.700 72.700 72.382 0.318 17577 15113 1 18 . 1 1 64 64 THR H H 64 8.980 8.980 7.864 1.116 17577 15114 1 18 . 1 1 65 65 THR N N 65 119.100 119.100 118.639 0.461 17577 15115 1 18 . 1 1 65 65 THR HA H 65 5.260 5.260 4.410 0.851 17577 15116 1 18 . 1 1 65 65 THR C C 65 173.700 173.700 173.498 0.202 17577 15117 1 18 . 1 1 65 65 THR CA C 65 62.300 62.300 61.644 0.656 17577 15118 1 18 . 1 1 65 65 THR CB C 65 71.100 71.100 70.617 0.483 17577 15119 1 18 . 1 1 65 65 THR H H 65 8.380 8.380 8.194 0.186 17577 15120 1 18 . 1 1 66 66 PHE N N 66 123.400 123.400 125.495 -2.095 17577 15121 1 18 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.776 0.054 17577 15122 1 18 . 1 1 66 66 PHE C C 66 174.200 174.200 174.688 -0.488 17577 15123 1 18 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.358 3.742 17577 15124 1 18 . 1 1 66 66 PHE CB C 66 45.600 45.600 39.916 5.684 17577 15125 1 18 . 1 1 66 66 PHE H H 66 9.590 9.590 8.772 0.818 17577 15126 1 18 . 1 1 67 67 LYS N N 67 119.700 119.700 122.497 -2.797 17577 15127 1 18 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.864 0.656 17577 15128 1 18 . 1 1 67 67 LYS C C 67 176.500 176.500 176.390 0.110 17577 15129 1 18 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.837 0.663 17577 15130 1 18 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.128 1.172 17577 15131 1 18 . 1 1 67 67 LYS H H 67 8.880 8.880 8.287 0.593 17577 15132 1 18 . 1 1 68 68 LYS N N 68 129.100 129.100 120.681 8.419 17577 15133 1 18 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.010 0.870 17577 15134 1 18 . 1 1 68 68 LYS C C 68 177.400 177.400 175.161 2.239 17577 15135 1 18 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.363 1.337 17577 15136 1 18 . 1 1 68 68 LYS CB C 68 35.300 35.300 31.661 3.639 17577 15137 1 18 . 1 1 68 68 LYS H H 68 8.850 8.850 8.644 0.206 17577 15138 1 18 . 1 1 69 69 THR N N 69 118.500 118.500 112.903 5.597 17577 15139 1 18 . 1 1 69 69 THR HA H 69 4.710 4.710 4.895 -0.185 17577 15140 1 18 . 1 1 69 69 THR C C 69 174.600 174.600 174.355 0.245 17577 15141 1 18 . 1 1 69 69 THR CA C 69 61.900 61.900 61.100 0.800 17577 15142 1 18 . 1 1 69 69 THR CB C 69 70.800 70.800 68.565 2.235 17577 15143 1 18 . 1 1 69 69 THR H H 69 8.720 8.720 7.911 0.809 17577 15144 1 18 . 1 1 70 70 SER N N 70 111.800 111.800 117.757 -5.957 17577 15145 1 18 . 1 1 70 70 SER HA H 70 4.420 4.420 4.856 -0.436 17577 15146 1 18 . 1 1 70 70 SER C C 70 174.500 174.500 174.811 -0.311 17577 15147 1 18 . 1 1 70 70 SER CA C 70 59.300 59.300 57.703 1.597 17577 15148 1 18 . 1 1 70 70 SER CB C 70 64.400 64.400 64.679 -0.279 17577 15149 1 18 . 1 1 70 70 SER H H 70 8.350 8.350 8.067 0.283 17577 15150 1 18 . 1 1 71 71 ASP N N 71 121.100 121.100 124.744 -3.644 17577 15151 1 18 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.340 0.040 17577 15152 1 18 . 1 1 71 71 ASP C C 71 175.600 175.600 176.412 -0.812 17577 15153 1 18 . 1 1 71 71 ASP CA C 71 56.100 56.100 57.130 -1.030 17577 15154 1 18 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.892 2.108 17577 15155 1 18 . 1 1 71 71 ASP H H 71 7.960 7.960 8.673 -0.713 17577 15156 1 18 . 1 1 72 72 ASP N N 72 121.000 121.000 120.495 0.505 17577 15157 1 18 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.654 -0.204 17577 15158 1 18 . 1 1 72 72 ASP C C 72 175.900 175.900 176.592 -0.692 17577 15159 1 18 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.051 2.049 17577 15160 1 18 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.791 3.309 17577 15161 1 18 . 1 1 72 72 ASP H H 72 8.500 8.500 8.372 0.128 17577 15162 1 18 . 1 1 73 73 GLY N N 73 109.100 109.100 112.405 -3.305 17577 15163 1 18 . 1 1 73 73 GLY C C 73 172.800 172.800 173.970 -1.170 17577 15164 1 18 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.996 -0.496 17577 15165 1 18 . 1 1 73 73 GLY H H 73 8.200 8.200 7.960 0.240 17577 15166 1 18 . 1 1 74 74 GLU N N 74 123.300 123.300 124.929 -1.629 17577 15167 1 18 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.794 -0.024 17577 15168 1 18 . 1 1 74 74 GLU C C 74 173.600 173.600 174.654 -1.054 17577 15169 1 18 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.413 -0.013 17577 15170 1 18 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.775 -0.175 17577 15171 1 18 . 1 1 74 74 GLU H H 74 8.780 8.780 8.114 0.666 17577 15172 1 18 . 1 1 75 75 VAL N N 75 123.500 123.500 122.361 1.139 17577 15173 1 18 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.591 0.449 17577 15174 1 18 . 1 1 75 75 VAL C C 75 174.100 174.100 174.012 0.088 17577 15175 1 18 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.303 2.197 17577 15176 1 18 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.712 -1.712 17577 15177 1 18 . 1 1 75 75 VAL H H 75 7.870 7.870 8.353 -0.483 17577 15178 1 18 . 1 1 76 76 TYR N N 76 125.000 125.000 124.445 0.555 17577 15179 1 18 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.734 0.506 17577 15180 1 18 . 1 1 76 76 TYR C C 76 174.300 174.300 173.027 1.273 17577 15181 1 18 . 1 1 76 76 TYR CA C 76 57.800 57.800 56.210 1.590 17577 15182 1 18 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.230 2.470 17577 15183 1 18 . 1 1 76 76 TYR H H 76 9.360 9.360 8.711 0.649 17577 15184 1 18 . 1 1 77 77 TYR N N 77 120.500 120.500 127.390 -6.890 17577 15185 1 18 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.103 1.777 17577 15186 1 18 . 1 1 77 77 TYR C C 77 174.600 174.600 173.452 1.148 17577 15187 1 18 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.510 1.490 17577 15188 1 18 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.727 2.873 17577 15189 1 18 . 1 1 77 77 TYR H H 77 9.480 9.480 8.231 1.249 17577 15190 1 18 . 1 1 78 78 SER N N 78 125.100 125.100 122.012 3.088 17577 15191 1 18 . 1 1 78 78 SER HA H 78 4.830 4.830 4.737 0.093 17577 15192 1 18 . 1 1 78 78 SER C C 78 174.300 174.300 173.567 0.733 17577 15193 1 18 . 1 1 78 78 SER CA C 78 55.600 55.600 56.408 -0.808 17577 15194 1 18 . 1 1 78 78 SER CB C 78 64.400 64.400 63.828 0.572 17577 15195 1 18 . 1 1 78 78 SER H H 78 8.570 8.570 7.667 0.903 17577 15196 1 18 . 1 1 79 79 GLU N N 79 130.000 130.000 126.559 3.441 17577 15197 1 18 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.753 0.227 17577 15198 1 18 . 1 1 79 79 GLU C C 79 178.600 178.600 176.860 1.740 17577 15199 1 18 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.710 0.390 17577 15200 1 18 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.729 0.771 17577 15201 1 18 . 1 1 79 79 GLU H H 79 8.670 8.670 8.574 0.096 17577 15202 1 18 . 1 1 80 80 GLU N N 80 118.900 118.900 119.198 -0.298 17577 15203 1 18 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.085 -0.085 17577 15204 1 18 . 1 1 80 80 GLU C C 80 177.700 177.700 177.769 -0.069 17577 15205 1 18 . 1 1 80 80 GLU CA C 80 60.000 60.000 59.017 0.983 17577 15206 1 18 . 1 1 80 80 GLU CB C 80 30.500 30.500 28.912 1.588 17577 15207 1 18 . 1 1 80 80 GLU H H 80 8.560 8.560 8.466 0.094 17577 15208 1 18 . 1 1 81 81 ALA N N 81 117.600 117.600 119.781 -2.181 17577 15209 1 18 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.408 -0.018 17577 15210 1 18 . 1 1 81 81 ALA C C 81 176.000 176.000 176.896 -0.896 17577 15211 1 18 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.303 1.097 17577 15212 1 18 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.319 2.281 17577 15213 1 18 . 1 1 81 81 ALA H H 81 7.410 7.410 8.013 -0.603 17577 15214 1 18 . 1 1 82 82 LYS N N 82 118.300 118.300 116.868 1.432 17577 15215 1 18 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.785 0.085 17577 15216 1 18 . 1 1 82 82 LYS C C 82 175.100 175.100 174.469 0.631 17577 15217 1 18 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.230 -0.030 17577 15218 1 18 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.729 0.571 17577 15219 1 18 . 1 1 82 82 LYS H H 82 7.830 7.830 7.872 -0.042 17577 15220 1 18 . 1 1 83 83 LYS N N 83 118.400 118.400 118.786 -0.386 17577 15221 1 18 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.810 0.630 17577 15222 1 18 . 1 1 83 83 LYS C C 83 172.400 172.400 173.993 -1.593 17577 15223 1 18 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.252 0.248 17577 15224 1 18 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.800 3.300 17577 15225 1 18 . 1 1 83 83 LYS H H 83 7.150 7.150 7.189 -0.039 17577 15226 1 18 . 1 1 84 84 LYS N N 84 130.000 130.000 124.874 5.126 17577 15227 1 18 . 1 1 84 84 LYS HA H 84 5.680 5.680 3.985 1.695 17577 15228 1 18 . 1 1 84 84 LYS C C 84 174.900 174.900 173.996 0.904 17577 15229 1 18 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.012 1.688 17577 15230 1 18 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.368 1.632 17577 15231 1 18 . 1 1 84 84 LYS H H 84 9.540 9.540 8.293 1.247 17577 15232 1 18 . 1 1 85 85 VAL N N 85 121.100 121.100 116.658 4.442 17577 15233 1 18 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.130 -0.150 17577 15234 1 18 . 1 1 85 85 VAL C C 85 173.000 173.000 174.076 -1.076 17577 15235 1 18 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.645 1.755 17577 15236 1 18 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.610 1.090 17577 15237 1 18 . 1 1 85 85 VAL H H 85 9.510 9.510 7.879 1.631 17577 15238 1 18 . 1 1 86 86 GLU N N 86 123.700 123.700 127.510 -3.810 17577 15239 1 18 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.827 0.493 17577 15240 1 18 . 1 1 86 86 GLU C C 86 175.800 175.800 175.104 0.696 17577 15241 1 18 . 1 1 86 86 GLU CA C 86 54.700 54.700 54.099 0.602 17577 15242 1 18 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.791 0.409 17577 15243 1 18 . 1 1 86 86 GLU H H 86 8.830 8.830 8.649 0.181 17577 15244 1 18 . 1 1 87 87 VAL N N 87 125.400 125.400 128.550 -3.150 17577 15245 1 18 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.046 0.124 17577 15246 1 18 . 1 1 87 87 VAL C C 87 176.000 176.000 174.551 1.449 17577 15247 1 18 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.984 -0.485 17577 15248 1 18 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.487 0.513 17577 15249 1 18 . 1 1 87 87 VAL H H 87 8.760 8.760 8.459 0.301 17577 15250 1 18 . 1 1 88 88 LEU N N 88 128.000 128.000 128.691 -0.691 17577 15251 1 18 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.615 -0.225 17577 15252 1 18 . 1 1 88 88 LEU C C 88 177.200 177.200 176.871 0.329 17577 15253 1 18 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.342 1.659 17577 15254 1 18 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.861 1.339 17577 15255 1 18 . 1 1 88 88 LEU H H 88 8.990 8.990 8.267 0.723 17577 15256 1 18 . 1 1 89 89 ASP N N 89 113.900 113.900 116.843 -2.943 17577 15257 1 18 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.709 0.071 17577 15258 1 18 . 1 1 89 89 ASP C C 89 173.900 173.900 174.090 -0.190 17577 15259 1 18 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.707 1.193 17577 15260 1 18 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.394 2.206 17577 15261 1 18 . 1 1 89 89 ASP H H 89 7.140 7.140 8.126 -0.986 17577 15262 1 18 . 1 1 90 90 THR N N 90 119.500 119.500 118.912 0.588 17577 15263 1 18 . 1 1 90 90 THR HA H 90 3.800 3.800 4.346 -0.546 17577 15264 1 18 . 1 1 90 90 THR C C 90 169.800 169.800 172.207 -2.407 17577 15265 1 18 . 1 1 90 90 THR CA C 90 61.500 61.500 62.207 -0.707 17577 15266 1 18 . 1 1 90 90 THR CB C 90 69.200 69.200 70.783 -1.583 17577 15267 1 18 . 1 1 90 90 THR H H 90 8.070 8.070 8.366 -0.296 17577 15268 1 18 . 1 1 91 91 ASP N N 91 122.400 122.400 125.739 -3.339 17577 15269 1 18 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.468 0.382 17577 15270 1 18 . 1 1 91 91 ASP C C 91 176.800 176.800 175.639 1.161 17577 15271 1 18 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.112 0.788 17577 15272 1 18 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.713 -0.813 17577 15273 1 18 . 1 1 91 91 ASP H H 91 6.790 6.790 8.092 -1.302 17577 15274 1 18 . 1 1 92 92 TYR N N 92 115.100 115.100 115.776 -0.676 17577 15275 1 18 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.819 -0.309 17577 15276 1 18 . 1 1 92 92 TYR C C 92 173.900 173.900 175.590 -1.690 17577 15277 1 18 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.422 3.878 17577 15278 1 18 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.526 1.074 17577 15279 1 18 . 1 1 92 92 TYR H H 92 9.420 9.420 7.329 2.091 17577 15280 1 18 . 1 1 93 93 LYS N N 93 112.300 112.300 118.733 -6.433 17577 15281 1 18 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.037 0.633 17577 15282 1 18 . 1 1 93 93 LYS C C 93 175.600 175.600 176.499 -0.899 17577 15283 1 18 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.383 1.117 17577 15284 1 18 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.701 5.099 17577 15285 1 18 . 1 1 93 93 LYS H H 93 8.080 8.080 8.124 -0.044 17577 15286 1 18 . 1 1 94 94 SER N N 94 120.300 120.300 107.981 12.319 17577 15287 1 18 . 1 1 94 94 SER HA H 94 4.820 4.820 4.537 0.283 17577 15288 1 18 . 1 1 94 94 SER CA C 94 61.200 61.200 58.699 2.502 17577 15289 1 18 . 1 1 94 94 SER CB C 94 68.800 68.800 65.774 3.026 17577 15290 1 18 . 1 1 94 94 SER H H 94 11.420 11.420 7.640 3.780 17577 15291 1 18 . 1 1 95 95 TYR N N 95 122.700 122.700 116.508 6.192 17577 15292 1 18 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.170 0.980 17577 15293 1 18 . 1 1 95 95 TYR C C 95 173.500 173.500 172.857 0.643 17577 15294 1 18 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.283 1.317 17577 15295 1 18 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.786 2.814 17577 15296 1 18 . 1 1 95 95 TYR H H 95 8.490 8.490 7.088 1.402 17577 15297 1 18 . 1 1 96 96 ALA N N 96 120.900 120.900 120.331 0.569 17577 15298 1 18 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.743 -0.193 17577 15299 1 18 . 1 1 96 96 ALA C C 96 174.700 174.700 174.977 -0.277 17577 15300 1 18 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.690 1.810 17577 15301 1 18 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.454 1.246 17577 15302 1 18 . 1 1 96 96 ALA H H 96 9.010 9.010 8.290 0.720 17577 15303 1 18 . 1 1 97 97 VAL N N 97 121.700 121.700 122.829 -1.129 17577 15304 1 18 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.505 -0.485 17577 15305 1 18 . 1 1 97 97 VAL C C 97 174.300 174.300 174.437 -0.137 17577 15306 1 18 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.153 3.047 17577 15307 1 18 . 1 1 97 97 VAL CB C 97 33.600 33.600 34.359 -0.759 17577 15308 1 18 . 1 1 97 97 VAL H H 97 9.310 9.310 9.005 0.305 17577 15309 1 18 . 1 1 98 98 ILE N N 98 129.600 129.600 125.297 4.303 17577 15310 1 18 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.760 0.290 17577 15311 1 18 . 1 1 98 98 ILE C C 98 174.000 174.000 173.338 0.662 17577 15312 1 18 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.030 0.170 17577 15313 1 18 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.472 0.228 17577 15314 1 18 . 1 1 98 98 ILE H H 98 9.550 9.550 8.355 1.195 17577 15315 1 18 . 1 1 99 99 TYR N N 99 128.100 128.100 129.456 -1.356 17577 15316 1 18 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.857 0.403 17577 15317 1 18 . 1 1 99 99 TYR C C 99 173.700 173.700 173.525 0.175 17577 15318 1 18 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.970 0.730 17577 15319 1 18 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.550 2.650 17577 15320 1 18 . 1 1 99 99 TYR H H 99 9.550 9.550 8.334 1.216 17577 15321 1 18 . 1 1 100 100 ALA N N 100 134.400 134.400 131.425 2.975 17577 15322 1 18 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.003 0.717 17577 15323 1 18 . 1 1 100 100 ALA C C 100 175.500 175.500 175.288 0.212 17577 15324 1 18 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.952 1.448 17577 15325 1 18 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.871 3.029 17577 15326 1 18 . 1 1 100 100 ALA H H 100 9.610 9.610 8.759 0.851 17577 15327 1 18 . 1 1 101 101 THR N N 101 116.200 116.200 117.779 -1.579 17577 15328 1 18 . 1 1 101 101 THR HA H 101 5.450 5.450 4.769 0.681 17577 15329 1 18 . 1 1 101 101 THR C C 101 173.600 173.600 172.653 0.947 17577 15330 1 18 . 1 1 101 101 THR CA C 101 62.000 62.000 60.884 1.116 17577 15331 1 18 . 1 1 101 101 THR CB C 101 73.100 73.100 70.796 2.304 17577 15332 1 18 . 1 1 101 101 THR H H 101 9.430 9.430 8.303 1.127 17577 15333 1 18 . 1 1 102 102 ARG N N 102 125.700 125.700 129.056 -3.356 17577 15334 1 18 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.764 0.446 17577 15335 1 18 . 1 1 102 102 ARG C C 102 173.900 173.900 173.632 0.268 17577 15336 1 18 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.922 0.578 17577 15337 1 18 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.520 2.580 17577 15338 1 18 . 1 1 102 102 ARG H H 102 8.970 8.970 8.151 0.819 17577 15339 1 18 . 1 1 103 103 VAL N N 103 122.100 122.100 126.031 -3.931 17577 15340 1 18 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.445 0.325 17577 15341 1 18 . 1 1 103 103 VAL C C 103 175.700 175.700 174.429 1.271 17577 15342 1 18 . 1 1 103 103 VAL CA C 103 62.400 62.400 61.026 1.374 17577 15343 1 18 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.725 -0.325 17577 15344 1 18 . 1 1 103 103 VAL H H 103 7.870 7.870 8.020 -0.150 17577 15345 1 18 . 1 1 104 104 LYS N N 104 130.100 130.100 127.629 2.471 17577 15346 1 18 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.533 -0.073 17577 15347 1 18 . 1 1 104 104 LYS C C 104 175.400 175.400 175.877 -0.477 17577 15348 1 18 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.473 1.527 17577 15349 1 18 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.477 0.923 17577 15350 1 18 . 1 1 104 104 LYS H H 104 8.980 8.980 8.596 0.384 17577 15351 1 18 . 1 1 106 106 GLY N N 106 136.200 136.200 114.348 21.852 17577 15352 1 18 . 1 1 106 106 GLY CA C 106 46.400 46.400 44.984 1.416 17577 15353 1 18 . 1 1 106 106 GLY H H 106 8.330 8.330 8.667 -0.337 17577 15354 1 18 . 1 1 107 107 ARG N N 107 121.300 121.300 120.782 0.518 17577 15355 1 18 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.688 -0.018 17577 15356 1 18 . 1 1 107 107 ARG C C 107 174.500 174.500 174.480 0.020 17577 15357 1 18 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.904 0.496 17577 15358 1 18 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.416 -0.215 17577 15359 1 18 . 1 1 107 107 ARG H H 107 7.880 7.880 8.060 -0.180 17577 15360 1 18 . 1 1 108 108 THR N N 108 118.800 118.800 117.133 1.667 17577 15361 1 18 . 1 1 108 108 THR HA H 108 4.490 4.490 4.530 -0.040 17577 15362 1 18 . 1 1 108 108 THR C C 108 173.400 173.400 173.375 0.025 17577 15363 1 18 . 1 1 108 108 THR CA C 108 64.100 64.100 61.464 2.636 17577 15364 1 18 . 1 1 108 108 THR CB C 108 69.800 69.800 70.372 -0.572 17577 15365 1 18 . 1 1 108 108 THR H H 108 8.650 8.650 8.294 0.356 17577 15366 1 18 . 1 1 109 109 LEU N N 109 128.900 128.900 124.147 4.753 17577 15367 1 18 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.444 0.286 17577 15368 1 18 . 1 1 109 109 LEU C C 109 175.700 175.700 173.563 2.137 17577 15369 1 18 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.065 0.235 17577 15370 1 18 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.027 0.473 17577 15371 1 18 . 1 1 109 109 LEU H H 109 9.220 9.220 7.905 1.315 17577 15372 1 18 . 1 1 110 110 HIS N N 110 116.200 116.200 120.647 -4.447 17577 15373 1 18 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.155 0.885 17577 15374 1 18 . 1 1 110 110 HIS C C 110 175.300 175.300 174.344 0.956 17577 15375 1 18 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.929 0.371 17577 15376 1 18 . 1 1 110 110 HIS CB C 110 34.500 34.500 33.540 0.960 17577 15377 1 18 . 1 1 110 110 HIS H H 110 8.490 8.490 8.668 -0.178 17577 15378 1 18 . 1 1 111 111 MET N N 111 123.400 123.400 116.720 6.680 17577 15379 1 18 . 1 1 111 111 MET HA H 111 4.550 4.550 4.982 -0.432 17577 15380 1 18 . 1 1 111 111 MET C C 111 174.000 174.000 173.588 0.412 17577 15381 1 18 . 1 1 111 111 MET CA C 111 56.600 56.600 54.932 1.668 17577 15382 1 18 . 1 1 111 111 MET CB C 111 37.800 37.800 37.110 0.690 17577 15383 1 18 . 1 1 111 111 MET H H 111 9.090 9.090 9.037 0.053 17577 15384 1 18 . 1 1 112 112 MET N N 112 122.900 122.900 121.072 1.828 17577 15385 1 18 . 1 1 112 112 MET HA H 112 5.670 5.670 5.371 0.299 17577 15386 1 18 . 1 1 112 112 MET C C 112 175.400 175.400 174.721 0.679 17577 15387 1 18 . 1 1 112 112 MET CA C 112 55.100 55.100 53.864 1.236 17577 15388 1 18 . 1 1 112 112 MET CB C 112 37.200 37.200 36.464 0.736 17577 15389 1 18 . 1 1 112 112 MET H H 112 9.120 9.120 8.338 0.782 17577 15390 1 18 . 1 1 113 113 ARG N N 113 119.500 119.500 122.616 -3.116 17577 15391 1 18 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.101 -0.051 17577 15392 1 18 . 1 1 113 113 ARG C C 113 173.800 173.800 174.331 -0.531 17577 15393 1 18 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.893 1.107 17577 15394 1 18 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.805 4.795 17577 15395 1 18 . 1 1 113 113 ARG H H 113 9.390 9.390 8.555 0.835 17577 15396 1 18 . 1 1 114 114 LEU N N 114 124.400 124.400 125.175 -0.775 17577 15397 1 18 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.245 -0.215 17577 15398 1 18 . 1 1 114 114 LEU C C 114 174.200 174.200 174.454 -0.254 17577 15399 1 18 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.181 0.919 17577 15400 1 18 . 1 1 114 114 LEU CB C 114 43.900 43.900 43.849 0.051 17577 15401 1 18 . 1 1 114 114 LEU H H 114 8.020 8.020 8.869 -0.849 17577 15402 1 18 . 1 1 115 115 TYR N N 115 126.000 126.000 126.001 -0.001 17577 15403 1 18 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.552 0.248 17577 15404 1 18 . 1 1 115 115 TYR C C 115 176.500 176.500 175.882 0.618 17577 15405 1 18 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.651 1.349 17577 15406 1 18 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.828 1.072 17577 15407 1 18 . 1 1 115 115 TYR H H 115 9.540 9.540 9.360 0.180 17577 15408 1 18 . 1 1 116 116 SER N N 116 113.200 113.200 114.961 -1.761 17577 15409 1 18 . 1 1 116 116 SER HA H 116 5.840 5.840 5.175 0.665 17577 15410 1 18 . 1 1 116 116 SER C C 116 175.400 175.400 174.561 0.839 17577 15411 1 18 . 1 1 116 116 SER CA C 116 56.600 56.600 55.703 0.896 17577 15412 1 18 . 1 1 116 116 SER CB C 116 67.700 67.700 65.251 2.448 17577 15413 1 18 . 1 1 116 116 SER H H 116 9.930 9.930 8.285 1.645 17577 15414 1 18 . 1 1 117 117 ARG N N 117 130.500 130.500 125.654 4.846 17577 15415 1 18 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.176 -0.496 17577 15416 1 18 . 1 1 117 117 ARG C C 117 175.400 175.400 176.408 -1.008 17577 15417 1 18 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.512 1.788 17577 15418 1 18 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.584 1.916 17577 15419 1 18 . 1 1 117 117 ARG H H 117 8.350 8.350 8.323 0.027 17577 15420 1 18 . 1 1 118 118 SER N N 118 111.300 111.300 111.652 -0.352 17577 15421 1 18 . 1 1 118 118 SER HA H 118 4.990 4.990 4.729 0.261 17577 15422 1 18 . 1 1 118 118 SER C C 118 173.400 173.400 172.343 1.057 17577 15423 1 18 . 1 1 118 118 SER CA C 118 54.800 54.800 54.934 -0.135 17577 15424 1 18 . 1 1 118 118 SER CB C 118 65.800 65.800 64.856 0.944 17577 15425 1 18 . 1 1 118 118 SER H H 118 7.980 7.980 7.485 0.495 17577 15426 1 18 . 1 1 119 119 PRO HA H 119 3.970 3.970 4.472 -0.502 17577 15427 1 18 . 1 1 119 119 PRO C C 119 175.500 175.500 176.858 -1.358 17577 15428 1 18 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.438 0.662 17577 15429 1 18 . 1 1 119 119 PRO CB C 119 32.200 32.200 32.144 0.056 17577 15430 1 18 . 1 1 120 120 GLU N N 120 117.500 117.500 116.970 0.530 17577 15431 1 18 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.452 -0.192 17577 15432 1 18 . 1 1 120 120 GLU C C 120 174.500 174.500 175.422 -0.922 17577 15433 1 18 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.899 -0.099 17577 15434 1 18 . 1 1 120 120 GLU CB C 120 29.700 29.700 31.063 -1.363 17577 15435 1 18 . 1 1 120 120 GLU H H 120 7.410 7.410 7.531 -0.121 17577 15436 1 18 . 1 1 121 121 VAL N N 121 124.900 124.900 119.213 5.687 17577 15437 1 18 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.238 -0.098 17577 15438 1 18 . 1 1 121 121 VAL C C 121 174.400 174.400 175.741 -1.341 17577 15439 1 18 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.393 0.307 17577 15440 1 18 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.266 0.834 17577 15441 1 18 . 1 1 121 121 VAL H H 121 7.900 7.900 8.380 -0.480 17577 15442 1 18 . 1 1 122 122 SER N N 122 124.500 124.500 123.821 0.679 17577 15443 1 18 . 1 1 122 122 SER HA H 122 4.750 4.750 4.839 -0.089 17577 15444 1 18 . 1 1 122 122 SER CA C 122 57.300 57.300 55.251 2.049 17577 15445 1 18 . 1 1 122 122 SER CB C 122 64.500 64.500 64.352 0.148 17577 15446 1 18 . 1 1 122 122 SER H H 122 8.680 8.680 8.442 0.238 17577 15447 1 18 . 1 1 123 123 PRO C C 123 175.600 175.600 177.334 -1.734 17577 15448 1 18 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.494 0.406 17577 15449 1 18 . 1 1 124 124 ALA N N 124 120.100 120.100 118.608 1.492 17577 15450 1 18 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.163 -0.093 17577 15451 1 18 . 1 1 124 124 ALA C C 124 179.900 179.900 179.118 0.782 17577 15452 1 18 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.479 1.321 17577 15453 1 18 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.148 0.952 17577 15454 1 18 . 1 1 124 124 ALA H H 124 8.030 8.030 7.530 0.500 17577 15455 1 18 . 1 1 125 125 ALA N N 125 121.100 121.100 121.776 -0.676 17577 15456 1 18 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.104 0.326 17577 15457 1 18 . 1 1 125 125 ALA C C 125 179.200 179.200 179.502 -0.302 17577 15458 1 18 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.610 0.990 17577 15459 1 18 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.331 0.869 17577 15460 1 18 . 1 1 125 125 ALA H H 125 7.510 7.510 8.286 -0.776 17577 15461 1 18 . 1 1 126 126 THR N N 126 113.200 113.200 114.397 -1.197 17577 15462 1 18 . 1 1 126 126 THR HA H 126 4.150 4.150 4.141 0.009 17577 15463 1 18 . 1 1 126 126 THR C C 126 176.100 176.100 176.395 -0.295 17577 15464 1 18 . 1 1 126 126 THR CA C 126 68.900 68.900 66.893 2.007 17577 15465 1 18 . 1 1 126 126 THR CB C 126 67.700 67.700 68.621 -0.921 17577 15466 1 18 . 1 1 126 126 THR H H 126 7.820 7.820 7.729 0.091 17577 15467 1 18 . 1 1 127 127 ALA N N 127 123.100 123.100 124.948 -1.848 17577 15468 1 18 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.190 -0.110 17577 15469 1 18 . 1 1 127 127 ALA C C 127 181.100 181.100 179.216 1.884 17577 15470 1 18 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.863 1.337 17577 15471 1 18 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.240 0.460 17577 15472 1 18 . 1 1 127 127 ALA H H 127 7.900 7.900 7.498 0.402 17577 15473 1 18 . 1 1 128 128 ILE N N 128 120.900 120.900 119.695 1.205 17577 15474 1 18 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.801 -0.061 17577 15475 1 18 . 1 1 128 128 ILE C C 128 177.300 177.300 177.138 0.162 17577 15476 1 18 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.447 2.154 17577 15477 1 18 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.792 2.608 17577 15478 1 18 . 1 1 128 128 ILE H H 128 7.640 7.640 8.318 -0.678 17577 15479 1 18 . 1 1 129 129 PHE N N 129 120.300 120.300 120.524 -0.224 17577 15480 1 18 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.121 -0.111 17577 15481 1 18 . 1 1 129 129 PHE C C 129 176.100 176.100 177.145 -1.045 17577 15482 1 18 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.231 2.069 17577 15483 1 18 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.751 2.149 17577 15484 1 18 . 1 1 129 129 PHE H H 129 8.250 8.250 7.644 0.606 17577 15485 1 18 . 1 1 130 130 ARG N N 130 116.300 116.300 119.503 -3.203 17577 15486 1 18 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.620 -0.060 17577 15487 1 18 . 1 1 130 130 ARG C C 130 179.400 179.400 178.221 1.179 17577 15488 1 18 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.163 1.937 17577 15489 1 18 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.049 0.551 17577 15490 1 18 . 1 1 130 130 ARG H H 130 8.650 8.650 8.001 0.649 17577 15491 1 18 . 1 1 131 131 LYS N N 131 122.200 122.200 120.815 1.385 17577 15492 1 18 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.973 0.057 17577 15493 1 18 . 1 1 131 131 LYS C C 131 179.300 179.300 178.934 0.366 17577 15494 1 18 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.689 0.811 17577 15495 1 18 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.234 0.966 17577 15496 1 18 . 1 1 131 131 LYS H H 131 8.020 8.020 8.005 0.015 17577 15497 1 18 . 1 1 132 132 LEU N N 132 120.300 120.300 119.047 1.253 17577 15498 1 18 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.080 -0.150 17577 15499 1 18 . 1 1 132 132 LEU C C 132 179.600 179.600 179.142 0.458 17577 15500 1 18 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.936 0.664 17577 15501 1 18 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.221 1.279 17577 15502 1 18 . 1 1 132 132 LEU H H 132 8.450 8.450 7.755 0.695 17577 15503 1 18 . 1 1 133 133 ALA N N 133 122.400 122.400 120.202 2.198 17577 15504 1 18 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.705 0.265 17577 15505 1 18 . 1 1 133 133 ALA C C 133 180.400 180.400 179.833 0.567 17577 15506 1 18 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.761 1.238 17577 15507 1 18 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.956 -1.056 17577 15508 1 18 . 1 1 133 133 ALA H H 133 8.750 8.750 7.753 0.997 17577 15509 1 18 . 1 1 134 134 GLY N N 134 107.400 107.400 106.865 0.535 17577 15510 1 18 . 1 1 134 134 GLY C C 134 178.200 178.200 176.876 1.324 17577 15511 1 18 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.615 1.484 17577 15512 1 18 . 1 1 134 134 GLY H H 134 8.130 8.130 8.297 -0.167 17577 15513 1 18 . 1 1 135 135 GLU N N 135 121.900 121.900 121.538 0.362 17577 15514 1 18 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.065 -0.015 17577 15515 1 18 . 1 1 135 135 GLU C C 135 177.400 177.400 177.983 -0.583 17577 15516 1 18 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.712 0.588 17577 15517 1 18 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.672 0.728 17577 15518 1 18 . 1 1 135 135 GLU H H 135 7.730 7.730 7.852 -0.122 17577 15519 1 18 . 1 1 136 136 ARG N N 136 118.000 118.000 116.272 1.728 17577 15520 1 18 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.417 -0.267 17577 15521 1 18 . 1 1 136 136 ARG C C 136 173.500 173.500 175.066 -1.566 17577 15522 1 18 . 1 1 136 136 ARG CA C 136 55.800 55.800 54.970 0.830 17577 15523 1 18 . 1 1 136 136 ARG CB C 136 28.900 28.900 29.507 -0.607 17577 15524 1 18 . 1 1 136 136 ARG H H 136 7.130 7.130 7.238 -0.108 17577 15525 1 18 . 1 1 137 137 ASN N N 137 109.600 109.600 114.977 -5.377 17577 15526 1 18 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.365 -0.215 17577 15527 1 18 . 1 1 137 137 ASN C C 137 174.200 174.200 174.174 0.026 17577 15528 1 18 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.257 1.743 17577 15529 1 18 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.825 0.375 17577 15530 1 18 . 1 1 137 137 ASN H H 137 7.560 7.560 8.338 -0.778 17577 15531 1 18 . 1 1 138 138 TYR N N 138 118.600 118.600 118.085 0.515 17577 15532 1 18 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.613 0.677 17577 15533 1 18 . 1 1 138 138 TYR C C 138 175.900 175.900 176.348 -0.448 17577 15534 1 18 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.984 0.716 17577 15535 1 18 . 1 1 138 138 TYR CB C 138 37.600 37.600 38.979 -1.379 17577 15536 1 18 . 1 1 138 138 TYR H H 138 8.020 8.020 8.002 0.018 17577 15537 1 18 . 1 1 139 139 THR N N 139 115.000 115.000 115.186 -0.186 17577 15538 1 18 . 1 1 139 139 THR HA H 139 4.420 4.420 4.345 0.075 17577 15539 1 18 . 1 1 139 139 THR C C 139 175.500 175.500 175.845 -0.345 17577 15540 1 18 . 1 1 139 139 THR CA C 139 61.400 61.400 60.077 1.323 17577 15541 1 18 . 1 1 139 139 THR CB C 139 71.400 71.400 71.357 0.043 17577 15542 1 18 . 1 1 139 139 THR H H 139 7.740 7.740 7.755 -0.015 17577 15543 1 18 . 1 1 140 140 ASP N N 140 117.900 117.900 124.712 -6.812 17577 15544 1 18 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.233 0.027 17577 15545 1 18 . 1 1 140 140 ASP C C 140 178.400 178.400 177.872 0.528 17577 15546 1 18 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.365 1.635 17577 15547 1 18 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.901 1.899 17577 15548 1 18 . 1 1 140 140 ASP H H 140 8.630 8.630 8.913 -0.283 17577 15549 1 18 . 1 1 141 141 GLU N N 141 116.800 116.800 118.509 -1.709 17577 15550 1 18 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.081 0.189 17577 15551 1 18 . 1 1 141 141 GLU C C 141 176.200 176.200 177.684 -1.484 17577 15552 1 18 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.302 0.798 17577 15553 1 18 . 1 1 141 141 GLU CB C 141 30.100 30.100 28.742 1.358 17577 15554 1 18 . 1 1 141 141 GLU H H 141 8.500 8.500 8.009 0.491 17577 15555 1 18 . 1 1 142 142 MET N N 142 117.400 117.400 116.128 1.272 17577 15556 1 18 . 1 1 142 142 MET HA H 142 4.490 4.490 4.392 0.098 17577 15557 1 18 . 1 1 142 142 MET C C 142 172.900 172.900 175.728 -2.828 17577 15558 1 18 . 1 1 142 142 MET CA C 142 57.100 57.100 57.179 -0.079 17577 15559 1 18 . 1 1 142 142 MET CB C 142 33.400 33.400 33.616 -0.216 17577 15560 1 18 . 1 1 142 142 MET H H 142 7.960 7.960 7.878 0.082 17577 15561 1 18 . 1 1 143 143 VAL N N 143 116.800 116.800 119.097 -2.297 17577 15562 1 18 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.836 -0.046 17577 15563 1 18 . 1 1 143 143 VAL C C 143 175.600 175.600 174.116 1.484 17577 15564 1 18 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.777 2.423 17577 15565 1 18 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.012 0.488 17577 15566 1 18 . 1 1 143 143 VAL H H 143 7.120 7.120 7.832 -0.712 17577 15567 1 18 . 1 1 144 144 ALA N N 144 131.000 131.000 132.407 -1.407 17577 15568 1 18 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.873 -0.063 17577 15569 1 18 . 1 1 144 144 ALA C C 144 175.800 175.800 176.518 -0.718 17577 15570 1 18 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.678 0.822 17577 15571 1 18 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.339 1.261 17577 15572 1 18 . 1 1 144 144 ALA H H 144 9.600 9.600 8.212 1.388 17577 15573 1 18 . 1 1 145 145 MET N N 145 122.400 122.400 123.043 -0.643 17577 15574 1 18 . 1 1 145 145 MET HA H 145 4.890 4.890 4.523 0.367 17577 15575 1 18 . 1 1 145 145 MET C C 145 176.900 176.900 175.744 1.156 17577 15576 1 18 . 1 1 145 145 MET CA C 145 54.000 54.000 55.352 -1.352 17577 15577 1 18 . 1 1 145 145 MET CB C 145 30.100 30.100 32.948 -2.848 17577 15578 1 18 . 1 1 145 145 MET H H 145 8.630 8.630 8.700 -0.070 17577 15579 1 18 . 1 1 146 146 LEU N N 146 125.400 125.400 124.844 0.556 17577 15580 1 18 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.854 -0.314 17577 15581 1 18 . 1 1 146 146 LEU C C 146 174.500 174.500 174.589 -0.089 17577 15582 1 18 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.502 2.398 17577 15583 1 18 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.255 -1.455 17577 15584 1 18 . 1 1 146 146 LEU H H 146 7.880 7.880 8.578 -0.698 17577 15585 1 18 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.813 -0.233 17577 15586 1 18 . 1 1 147 147 PRO C C 147 176.200 176.200 177.166 -0.966 17577 15587 1 18 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.063 1.237 17577 15588 1 18 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.171 0.429 17577 15589 1 18 . 1 1 148 148 ARG N N 148 120.700 120.700 118.265 2.435 17577 15590 1 18 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.084 0.186 17577 15591 1 18 . 1 1 148 148 ARG C C 148 175.500 175.500 175.638 -0.138 17577 15592 1 18 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.323 0.977 17577 15593 1 18 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.936 2.464 17577 15594 1 18 . 1 1 148 148 ARG H H 148 8.540 8.540 8.595 -0.055 17577 15595 1 18 . 1 1 149 149 GLN N N 149 115.000 115.000 121.237 -6.237 17577 15596 1 18 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.135 0.585 17577 15597 1 18 . 1 1 149 149 GLN C C 149 174.300 174.300 174.695 -0.395 17577 15598 1 18 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.401 -1.501 17577 15599 1 18 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.971 0.729 17577 15600 1 18 . 1 1 149 149 GLN H H 149 7.770 7.770 8.238 -0.468 17577 15601 1 18 . 1 1 150 150 GLU N N 150 117.800 117.800 122.451 -4.651 17577 15602 1 18 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.503 -0.033 17577 15603 1 18 . 1 1 150 150 GLU C C 150 175.800 175.800 175.492 0.308 17577 15604 1 18 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.213 1.087 17577 15605 1 18 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.503 0.897 17577 15606 1 18 . 1 1 150 150 GLU H H 150 8.570 8.570 8.516 0.054 17577 15607 1 18 . 1 1 151 151 GLU N N 151 119.200 119.200 120.671 -1.471 17577 15608 1 18 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.460 -0.200 17577 15609 1 18 . 1 1 151 151 GLU C C 151 176.000 176.000 175.415 0.585 17577 15610 1 18 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.015 2.485 17577 15611 1 18 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.477 1.723 17577 15612 1 18 . 1 1 151 151 GLU H H 151 8.000 8.000 8.927 -0.927 17577 15613 1 18 . 1 1 152 152 CYS N N 152 122.100 122.100 117.726 4.374 17577 15614 1 18 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.949 0.191 17577 15615 1 18 . 1 1 152 152 CYS C C 152 172.800 172.800 173.102 -0.302 17577 15616 1 18 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.939 -3.939 17577 15617 1 18 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.759 4.141 17577 15618 1 18 . 1 1 152 152 CYS H H 152 9.620 9.620 7.905 1.715 17577 15619 1 18 . 1 1 153 153 THR N N 153 118.000 118.000 114.147 3.853 17577 15620 1 18 . 1 1 153 153 THR HA H 153 4.860 4.860 4.620 0.240 17577 15621 1 18 . 1 1 153 153 THR C C 153 173.000 173.000 173.623 -0.623 17577 15622 1 18 . 1 1 153 153 THR CA C 153 59.800 59.800 61.256 -1.456 17577 15623 1 18 . 1 1 153 153 THR CB C 153 72.500 72.500 70.128 2.372 17577 15624 1 18 . 1 1 153 153 THR H H 153 8.490 8.490 8.186 0.304 17577 15625 1 18 . 1 1 154 154 VAL N N 154 114.900 114.900 118.305 -3.405 17577 15626 1 18 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.192 -0.072 17577 15627 1 18 . 1 1 154 154 VAL C C 154 175.500 175.500 175.350 0.150 17577 15628 1 18 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.846 0.154 17577 15629 1 18 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.655 0.445 17577 15630 1 18 . 1 1 154 154 VAL H H 154 6.920 6.920 8.049 -1.129 17577 15631 1 18 . 1 1 155 155 ASP N N 155 124.100 124.100 123.114 0.986 17577 15632 1 18 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.681 -0.191 17577 15633 1 18 . 1 1 155 155 ASP C C 155 175.800 175.800 176.115 -0.315 17577 15634 1 18 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.814 1.886 17577 15635 1 18 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.581 0.719 17577 15636 1 18 . 1 1 155 155 ASP H H 155 8.390 8.390 8.343 0.047 17577 15637 1 18 . 1 1 156 156 GLU N N 156 121.000 121.000 120.513 0.487 17577 15638 1 18 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.588 -0.418 17577 15639 1 18 . 1 1 156 156 GLU C C 156 175.400 175.400 175.960 -0.560 17577 15640 1 18 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.668 1.832 17577 15641 1 18 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.470 1.930 17577 15642 1 18 . 1 1 156 156 GLU H H 156 8.450 8.450 8.488 -0.038 17577 15643 1 19 . 1 1 4 4 PRO C C 4 175.800 175.800 175.532 0.268 17577 15644 1 19 . 1 1 4 4 PRO CA C 4 64.300 64.300 64.323 -0.023 17577 15645 1 19 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.148 0.852 17577 15646 1 19 . 1 1 5 5 ASP N N 5 119.400 119.400 122.014 -2.614 17577 15647 1 19 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.501 0.009 17577 15648 1 19 . 1 1 5 5 ASP C C 5 177.100 177.100 177.126 -0.026 17577 15649 1 19 . 1 1 5 5 ASP CA C 5 54.800 54.800 56.353 -1.554 17577 15650 1 19 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.654 0.747 17577 15651 1 19 . 1 1 5 5 ASP H H 5 8.090 8.090 8.423 -0.333 17577 15652 1 19 . 1 1 6 6 ARG N N 6 124.800 124.800 121.277 3.523 17577 15653 1 19 . 1 1 6 6 ARG C C 6 177.300 177.300 177.443 -0.143 17577 15654 1 19 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.336 -0.336 17577 15655 1 19 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.664 0.836 17577 15656 1 19 . 1 1 6 6 ARG H H 6 8.590 8.590 8.483 0.107 17577 15657 1 19 . 1 1 7 7 SER N N 7 113.800 113.800 112.871 0.929 17577 15658 1 19 . 1 1 7 7 SER CA C 7 62.400 62.400 61.002 1.398 17577 15659 1 19 . 1 1 7 7 SER CB C 7 63.800 63.800 62.355 1.445 17577 15660 1 19 . 1 1 7 7 SER H H 7 8.240 8.240 8.373 -0.133 17577 15661 1 19 . 1 1 8 8 GLU N N 8 120.200 120.200 118.817 1.383 17577 15662 1 19 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.077 0.253 17577 15663 1 19 . 1 1 8 8 GLU C C 8 177.100 177.100 177.898 -0.798 17577 15664 1 19 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.518 0.182 17577 15665 1 19 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.550 1.350 17577 15666 1 19 . 1 1 8 8 GLU H H 8 8.030 8.030 7.543 0.487 17577 15667 1 19 . 1 1 9 9 ILE N N 9 112.800 112.800 117.479 -4.679 17577 15668 1 19 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.717 0.633 17577 15669 1 19 . 1 1 9 9 ILE C C 9 175.000 175.000 175.167 -0.167 17577 15670 1 19 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.745 2.655 17577 15671 1 19 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.184 2.816 17577 15672 1 19 . 1 1 9 9 ILE H H 9 7.530 7.530 7.054 0.476 17577 15673 1 19 . 1 1 10 10 ALA N N 10 120.400 120.400 122.149 -1.749 17577 15674 1 19 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.564 -0.494 17577 15675 1 19 . 1 1 10 10 ALA C C 10 177.500 177.500 177.078 0.422 17577 15676 1 19 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.031 -0.031 17577 15677 1 19 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.076 1.325 17577 15678 1 19 . 1 1 10 10 ALA H H 10 7.410 7.410 8.142 -0.732 17577 15679 1 19 . 1 1 11 11 GLY N N 11 108.300 108.300 110.106 -1.806 17577 15680 1 19 . 1 1 11 11 GLY C C 11 173.700 173.700 173.698 0.002 17577 15681 1 19 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.927 0.373 17577 15682 1 19 . 1 1 11 11 GLY H H 11 8.780 8.780 8.686 0.094 17577 15683 1 19 . 1 1 12 12 LYS N N 12 122.300 122.300 121.299 1.001 17577 15684 1 19 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.975 -0.145 17577 15685 1 19 . 1 1 12 12 LYS C C 12 175.900 175.900 174.354 1.546 17577 15686 1 19 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.438 1.862 17577 15687 1 19 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.734 0.266 17577 15688 1 19 . 1 1 12 12 LYS H H 12 8.740 8.740 7.680 1.060 17577 15689 1 19 . 1 1 13 13 TRP N N 13 126.000 126.000 126.525 -0.525 17577 15690 1 19 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.974 -0.344 17577 15691 1 19 . 1 1 13 13 TRP C C 13 173.300 173.300 174.567 -1.267 17577 15692 1 19 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.496 1.204 17577 15693 1 19 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.954 3.446 17577 15694 1 19 . 1 1 13 13 TRP H H 13 9.440 9.440 9.573 -0.133 17577 15695 1 19 . 1 1 14 14 TYR N N 14 118.300 118.300 122.938 -4.638 17577 15696 1 19 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.050 0.000 17577 15697 1 19 . 1 1 14 14 TYR C C 14 175.400 175.400 174.851 0.549 17577 15698 1 19 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.672 1.128 17577 15699 1 19 . 1 1 14 14 TYR CB C 14 41.500 41.500 41.335 0.165 17577 15700 1 19 . 1 1 14 14 TYR H H 14 9.370 9.370 9.056 0.314 17577 15701 1 19 . 1 1 15 15 VAL N N 15 124.200 124.200 123.821 0.379 17577 15702 1 19 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.743 0.297 17577 15703 1 19 . 1 1 15 15 VAL C C 15 175.500 175.500 175.165 0.335 17577 15704 1 19 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.425 1.275 17577 15705 1 19 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.872 -0.472 17577 15706 1 19 . 1 1 15 15 VAL H H 15 9.000 9.000 8.890 0.110 17577 15707 1 19 . 1 1 16 16 VAL N N 16 114.600 114.600 121.676 -7.076 17577 15708 1 19 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.592 0.058 17577 15709 1 19 . 1 1 16 16 VAL C C 16 175.900 175.900 173.930 1.970 17577 15710 1 19 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.627 1.573 17577 15711 1 19 . 1 1 16 16 VAL CB C 16 33.600 33.600 32.987 0.613 17577 15712 1 19 . 1 1 16 16 VAL H H 16 8.420 8.420 8.980 -0.560 17577 15713 1 19 . 1 1 17 17 ALA N N 17 122.900 122.900 121.166 1.734 17577 15714 1 19 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.119 0.151 17577 15715 1 19 . 1 1 17 17 ALA C C 17 174.200 174.200 174.920 -0.720 17577 15716 1 19 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.328 0.772 17577 15717 1 19 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.359 2.741 17577 15718 1 19 . 1 1 17 17 ALA H H 17 7.590 7.590 7.362 0.228 17577 15719 1 19 . 1 1 18 18 LEU N N 18 118.000 118.000 118.282 -0.282 17577 15720 1 19 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.811 -0.371 17577 15721 1 19 . 1 1 18 18 LEU C C 18 176.100 176.100 175.183 0.917 17577 15722 1 19 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.225 1.775 17577 15723 1 19 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.617 4.183 17577 15724 1 19 . 1 1 18 18 LEU H H 18 8.570 8.570 8.235 0.335 17577 15725 1 19 . 1 1 19 19 ALA N N 19 120.300 120.300 120.453 -0.153 17577 15726 1 19 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.554 -0.124 17577 15727 1 19 . 1 1 19 19 ALA C C 19 174.400 174.400 176.042 -1.642 17577 15728 1 19 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.348 1.352 17577 15729 1 19 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.483 0.617 17577 15730 1 19 . 1 1 19 19 ALA H H 19 8.360 8.360 9.027 -0.666 17577 15731 1 19 . 1 1 20 20 SER N N 20 114.200 114.200 116.604 -2.404 17577 15732 1 19 . 1 1 20 20 SER HA H 20 3.890 3.890 4.808 -0.918 17577 15733 1 19 . 1 1 20 20 SER C C 20 170.700 170.700 172.662 -1.962 17577 15734 1 19 . 1 1 20 20 SER CA C 20 57.200 57.200 57.696 -0.496 17577 15735 1 19 . 1 1 20 20 SER CB C 20 64.200 64.200 65.419 -1.219 17577 15736 1 19 . 1 1 20 20 SER H H 20 7.450 7.450 8.575 -1.125 17577 15737 1 19 . 1 1 21 21 ASN N N 21 117.500 117.500 115.612 1.888 17577 15738 1 19 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.708 0.512 17577 15739 1 19 . 1 1 21 21 ASN C C 21 176.500 176.500 174.995 1.505 17577 15740 1 19 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.094 -0.594 17577 15741 1 19 . 1 1 21 21 ASN CB C 21 40.300 40.300 39.721 0.579 17577 15742 1 19 . 1 1 21 21 ASN H H 21 7.980 7.980 8.530 -0.550 17577 15743 1 19 . 1 1 22 22 THR N N 22 112.100 112.100 115.826 -3.726 17577 15744 1 19 . 1 1 22 22 THR HA H 22 4.420 4.420 3.771 0.649 17577 15745 1 19 . 1 1 22 22 THR C C 22 174.800 174.800 174.676 0.124 17577 15746 1 19 . 1 1 22 22 THR CA C 22 63.200 63.200 61.738 1.462 17577 15747 1 19 . 1 1 22 22 THR CB C 22 71.800 71.800 68.350 3.450 17577 15748 1 19 . 1 1 22 22 THR H H 22 8.140 8.140 7.544 0.596 17577 15749 1 19 . 1 1 23 23 GLU N N 23 122.700 122.700 129.426 -6.726 17577 15750 1 19 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.807 0.943 17577 15751 1 19 . 1 1 23 23 GLU C C 23 178.800 178.800 178.191 0.609 17577 15752 1 19 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.437 1.863 17577 15753 1 19 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.008 1.292 17577 15754 1 19 . 1 1 23 23 GLU H H 23 8.980 8.980 8.427 0.553 17577 15755 1 19 . 1 1 24 24 PHE N N 24 118.200 118.200 117.646 0.554 17577 15756 1 19 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.155 -0.175 17577 15757 1 19 . 1 1 24 24 PHE C C 24 175.900 175.900 177.975 -2.075 17577 15758 1 19 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.251 2.649 17577 15759 1 19 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.064 3.636 17577 15760 1 19 . 1 1 24 24 PHE H H 24 8.610 8.610 6.414 2.196 17577 15761 1 19 . 1 1 25 25 PHE N N 25 119.000 119.000 116.974 2.026 17577 15762 1 19 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.481 -0.641 17577 15763 1 19 . 1 1 25 25 PHE C C 25 176.500 176.500 177.948 -1.448 17577 15764 1 19 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.484 5.316 17577 15765 1 19 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.714 2.686 17577 15766 1 19 . 1 1 25 25 PHE H H 25 7.730 7.730 7.143 0.587 17577 15767 1 19 . 1 1 26 26 LEU N N 26 115.900 115.900 122.679 -6.779 17577 15768 1 19 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.069 -0.339 17577 15769 1 19 . 1 1 26 26 LEU C C 26 179.200 179.200 178.679 0.521 17577 15770 1 19 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.086 0.614 17577 15771 1 19 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.823 0.177 17577 15772 1 19 . 1 1 26 26 LEU H H 26 8.380 8.380 8.708 -0.328 17577 15773 1 19 . 1 1 27 27 ARG N N 27 116.900 116.900 118.970 -2.070 17577 15774 1 19 . 1 1 27 27 ARG HA H 27 4.110 4.110 4.044 0.066 17577 15775 1 19 . 1 1 27 27 ARG C C 27 178.400 178.400 177.832 0.568 17577 15776 1 19 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.681 0.519 17577 15777 1 19 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.054 2.046 17577 15778 1 19 . 1 1 27 27 ARG H H 27 7.720 7.720 8.441 -0.721 17577 15779 1 19 . 1 1 28 28 GLU N N 28 116.000 116.000 117.720 -1.720 17577 15780 1 19 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.318 0.042 17577 15781 1 19 . 1 1 28 28 GLU C C 28 178.200 178.200 179.061 -0.861 17577 15782 1 19 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.692 -1.992 17577 15783 1 19 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.168 0.732 17577 15784 1 19 . 1 1 28 28 GLU H H 28 7.660 7.660 7.719 -0.059 17577 15785 1 19 . 1 1 29 29 LYS N N 29 120.700 120.700 120.451 0.249 17577 15786 1 19 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.110 0.030 17577 15787 1 19 . 1 1 29 29 LYS C C 29 177.900 177.900 178.744 -0.844 17577 15788 1 19 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.446 0.454 17577 15789 1 19 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.310 -0.911 17577 15790 1 19 . 1 1 29 29 LYS H H 29 7.910 7.910 8.820 -0.910 17577 15791 1 19 . 1 1 30 30 ASP N N 30 118.800 118.800 116.958 1.842 17577 15792 1 19 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.528 -0.138 17577 15793 1 19 . 1 1 30 30 ASP C C 30 177.000 177.000 177.424 -0.424 17577 15794 1 19 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.261 0.939 17577 15795 1 19 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.596 0.004 17577 15796 1 19 . 1 1 30 30 ASP H H 30 8.390 8.390 7.897 0.493 17577 15797 1 19 . 1 1 31 31 LYS N N 31 118.000 118.000 116.602 1.398 17577 15798 1 19 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.414 -0.024 17577 15799 1 19 . 1 1 31 31 LYS C C 31 177.200 177.200 176.739 0.461 17577 15800 1 19 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.734 0.266 17577 15801 1 19 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.184 1.016 17577 15802 1 19 . 1 1 31 31 LYS H H 31 8.110 8.110 8.236 -0.126 17577 15803 1 19 . 1 1 32 32 MET N N 32 120.300 120.300 117.762 2.538 17577 15804 1 19 . 1 1 32 32 MET HA H 32 4.520 4.520 4.629 -0.109 17577 15805 1 19 . 1 1 32 32 MET C C 32 176.200 176.200 175.452 0.748 17577 15806 1 19 . 1 1 32 32 MET CA C 32 58.000 58.000 56.010 1.990 17577 15807 1 19 . 1 1 32 32 MET CB C 32 33.500 33.500 33.645 -0.145 17577 15808 1 19 . 1 1 32 32 MET H H 32 7.240 7.240 7.364 -0.124 17577 15809 1 19 . 1 1 33 33 LYS N N 33 120.200 120.200 117.137 3.063 17577 15810 1 19 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.568 0.132 17577 15811 1 19 . 1 1 33 33 LYS C C 33 173.000 173.000 176.427 -3.427 17577 15812 1 19 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.103 1.997 17577 15813 1 19 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.191 4.909 17577 15814 1 19 . 1 1 33 33 LYS H H 33 8.560 8.560 8.099 0.461 17577 15815 1 19 . 1 1 34 34 MET N N 34 118.300 118.300 120.278 -1.978 17577 15816 1 19 . 1 1 34 34 MET HA H 34 4.080 4.080 4.297 -0.217 17577 15817 1 19 . 1 1 34 34 MET C C 34 173.800 173.800 175.653 -1.853 17577 15818 1 19 . 1 1 34 34 MET CA C 34 59.500 59.500 57.137 2.363 17577 15819 1 19 . 1 1 34 34 MET CB C 34 35.700 35.700 33.417 2.283 17577 15820 1 19 . 1 1 34 34 MET H H 34 8.370 8.370 8.214 0.156 17577 15821 1 19 . 1 1 35 35 ALA N N 35 126.000 126.000 125.947 0.053 17577 15822 1 19 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.819 0.441 17577 15823 1 19 . 1 1 35 35 ALA C C 35 176.100 176.100 175.835 0.265 17577 15824 1 19 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.531 0.069 17577 15825 1 19 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.401 1.399 17577 15826 1 19 . 1 1 35 35 ALA H H 35 7.360 7.360 8.648 -1.288 17577 15827 1 19 . 1 1 36 36 MET N N 36 117.100 117.100 114.725 2.375 17577 15828 1 19 . 1 1 36 36 MET HA H 36 5.280 5.280 5.445 -0.165 17577 15829 1 19 . 1 1 36 36 MET C C 36 172.600 172.600 174.575 -1.975 17577 15830 1 19 . 1 1 36 36 MET CA C 36 56.100 56.100 52.235 3.865 17577 15831 1 19 . 1 1 36 36 MET CB C 36 39.600 39.600 36.191 3.409 17577 15832 1 19 . 1 1 36 36 MET H H 36 8.920 8.920 8.953 -0.033 17577 15833 1 19 . 1 1 37 37 ALA N N 37 121.700 121.700 119.975 1.725 17577 15834 1 19 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.702 0.728 17577 15835 1 19 . 1 1 37 37 ALA C C 37 175.400 175.400 174.658 0.742 17577 15836 1 19 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.845 -0.645 17577 15837 1 19 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.687 1.713 17577 15838 1 19 . 1 1 37 37 ALA H H 37 8.980 8.980 8.772 0.208 17577 15839 1 19 . 1 1 38 38 ARG N N 38 120.400 120.400 120.711 -0.311 17577 15840 1 19 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.874 0.276 17577 15841 1 19 . 1 1 38 38 ARG C C 38 174.900 174.900 173.859 1.041 17577 15842 1 19 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.203 -0.003 17577 15843 1 19 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.846 0.754 17577 15844 1 19 . 1 1 38 38 ARG H H 38 9.180 9.180 7.966 1.214 17577 15845 1 19 . 1 1 39 39 ILE N N 39 126.000 126.000 125.156 0.844 17577 15846 1 19 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.772 0.148 17577 15847 1 19 . 1 1 39 39 ILE C C 39 175.100 175.100 174.258 0.842 17577 15848 1 19 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.033 1.167 17577 15849 1 19 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.330 0.070 17577 15850 1 19 . 1 1 39 39 ILE H H 39 8.930 8.930 8.545 0.385 17577 15851 1 19 . 1 1 40 40 SER N N 40 121.700 121.700 121.872 -0.172 17577 15852 1 19 . 1 1 40 40 SER HA H 40 4.630 4.630 4.839 -0.209 17577 15853 1 19 . 1 1 40 40 SER CA C 40 57.900 57.900 56.599 1.301 17577 15854 1 19 . 1 1 40 40 SER CB C 40 66.300 66.300 66.225 0.075 17577 15855 1 19 . 1 1 40 40 SER H H 40 8.780 8.780 8.921 -0.141 17577 15856 1 19 . 1 1 41 41 PHE N N 41 122.300 122.300 124.134 -1.834 17577 15857 1 19 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.592 0.058 17577 15858 1 19 . 1 1 41 41 PHE C C 41 175.900 175.900 175.547 0.353 17577 15859 1 19 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.774 2.326 17577 15860 1 19 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.861 1.839 17577 15861 1 19 . 1 1 41 41 PHE H H 41 9.080 9.080 8.877 0.203 17577 15862 1 19 . 1 1 42 42 LEU N N 42 125.100 125.100 125.685 -0.585 17577 15863 1 19 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.325 0.305 17577 15864 1 19 . 1 1 42 42 LEU C C 42 176.400 176.400 177.416 -1.016 17577 15865 1 19 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.351 0.149 17577 15866 1 19 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.839 0.961 17577 15867 1 19 . 1 1 42 42 LEU H H 42 8.540 8.540 7.956 0.584 17577 15868 1 19 . 1 1 43 43 GLY N N 43 108.700 108.700 104.438 4.262 17577 15869 1 19 . 1 1 43 43 GLY C C 43 173.700 173.700 173.683 0.017 17577 15870 1 19 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.949 0.951 17577 15871 1 19 . 1 1 43 43 GLY H H 43 8.310 8.310 7.820 0.490 17577 15872 1 19 . 1 1 44 44 GLU N N 44 120.300 120.300 120.434 -0.134 17577 15873 1 19 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.735 0.375 17577 15874 1 19 . 1 1 44 44 GLU C C 44 177.200 177.200 176.449 0.751 17577 15875 1 19 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.228 0.372 17577 15876 1 19 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.794 1.006 17577 15877 1 19 . 1 1 44 44 GLU H H 44 8.900 8.900 8.860 0.040 17577 15878 1 19 . 1 1 45 45 ASP N N 45 115.200 115.200 115.590 -0.390 17577 15879 1 19 . 1 1 45 45 ASP HA H 45 4.870 4.870 5.019 -0.149 17577 15880 1 19 . 1 1 45 45 ASP C C 45 174.500 174.500 175.904 -1.404 17577 15881 1 19 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.596 1.204 17577 15882 1 19 . 1 1 45 45 ASP CB C 45 42.700 42.700 39.893 2.807 17577 15883 1 19 . 1 1 45 45 ASP H H 45 8.500 8.500 8.392 0.108 17577 15884 1 19 . 1 1 46 46 GLU N N 46 117.800 117.800 119.151 -1.351 17577 15885 1 19 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.959 0.611 17577 15886 1 19 . 1 1 46 46 GLU C C 46 174.800 174.800 173.567 1.233 17577 15887 1 19 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.488 -0.188 17577 15888 1 19 . 1 1 46 46 GLU CB C 46 35.000 35.000 32.822 2.178 17577 15889 1 19 . 1 1 46 46 GLU H H 46 7.450 7.450 8.319 -0.869 17577 15890 1 19 . 1 1 47 47 LEU N N 47 124.200 124.200 121.103 3.097 17577 15891 1 19 . 1 1 47 47 LEU HA H 47 4.880 4.880 4.980 -0.100 17577 15892 1 19 . 1 1 47 47 LEU C C 47 173.900 173.900 174.201 -0.301 17577 15893 1 19 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.977 2.324 17577 15894 1 19 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.731 0.369 17577 15895 1 19 . 1 1 47 47 LEU H H 47 9.160 9.160 8.575 0.585 17577 15896 1 19 . 1 1 48 48 LYS N N 48 123.800 123.800 121.689 2.111 17577 15897 1 19 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.346 0.604 17577 15898 1 19 . 1 1 48 48 LYS C C 48 174.300 174.300 174.119 0.181 17577 15899 1 19 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.422 0.578 17577 15900 1 19 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.608 1.192 17577 15901 1 19 . 1 1 48 48 LYS H H 48 9.020 9.020 8.563 0.457 17577 15902 1 19 . 1 1 49 49 VAL N N 49 126.600 126.600 126.304 0.296 17577 15903 1 19 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.696 -0.086 17577 15904 1 19 . 1 1 49 49 VAL C C 49 173.800 173.800 173.524 0.276 17577 15905 1 19 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.632 1.668 17577 15906 1 19 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.047 -0.747 17577 15907 1 19 . 1 1 49 49 VAL H H 49 8.920 8.920 7.852 1.068 17577 15908 1 19 . 1 1 50 50 SER N N 50 120.900 120.900 122.220 -1.320 17577 15909 1 19 . 1 1 50 50 SER HA H 50 4.860 4.860 4.704 0.156 17577 15910 1 19 . 1 1 50 50 SER CA C 50 57.300 57.300 57.416 -0.116 17577 15911 1 19 . 1 1 50 50 SER CB C 50 65.100 65.100 65.407 -0.307 17577 15912 1 19 . 1 1 50 50 SER H H 50 8.360 8.360 8.843 -0.483 17577 15913 1 19 . 1 1 51 51 TYR N N 51 122.000 122.000 122.860 -0.860 17577 15914 1 19 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.682 0.168 17577 15915 1 19 . 1 1 51 51 TYR C C 51 176.800 176.800 173.986 2.814 17577 15916 1 19 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.954 1.246 17577 15917 1 19 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.477 2.123 17577 15918 1 19 . 1 1 51 51 TYR H H 51 8.990 8.990 8.301 0.689 17577 15919 1 19 . 1 1 52 52 ALA N N 52 124.000 124.000 126.080 -2.080 17577 15920 1 19 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.970 -0.100 17577 15921 1 19 . 1 1 52 52 ALA C C 52 174.800 174.800 175.119 -0.319 17577 15922 1 19 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.792 2.208 17577 15923 1 19 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.198 0.602 17577 15924 1 19 . 1 1 52 52 ALA H H 52 8.640 8.640 9.286 -0.646 17577 15925 1 19 . 1 1 53 53 VAL N N 53 124.300 124.300 124.297 0.003 17577 15926 1 19 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.651 0.119 17577 15927 1 19 . 1 1 53 53 VAL C C 53 174.200 174.200 173.697 0.503 17577 15928 1 19 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.971 0.329 17577 15929 1 19 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.932 1.568 17577 15930 1 19 . 1 1 53 53 VAL H H 53 9.120 9.120 8.192 0.928 17577 15931 1 19 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.682 0.018 17577 15932 1 19 . 1 1 54 54 PRO CA C 54 64.700 64.700 61.557 3.143 17577 15933 1 19 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.321 0.579 17577 15934 1 19 . 1 1 55 55 LYS N N 55 121.100 121.100 119.734 1.366 17577 15935 1 19 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.697 0.233 17577 15936 1 19 . 1 1 55 55 LYS CA C 55 54.600 54.600 54.313 0.287 17577 15937 1 19 . 1 1 55 55 LYS CB C 55 33.400 33.400 35.514 -2.114 17577 15938 1 19 . 1 1 55 55 LYS H H 55 8.040 8.040 7.645 0.395 17577 15939 1 19 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.410 -0.130 17577 15940 1 19 . 1 1 56 56 PRO C C 56 177.200 177.200 177.259 -0.059 17577 15941 1 19 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.538 1.861 17577 15942 1 19 . 1 1 56 56 PRO CB C 56 32.300 32.300 32.317 -0.017 17577 15943 1 19 . 1 1 57 57 ASN N N 57 114.200 114.200 117.849 -3.649 17577 15944 1 19 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.683 0.037 17577 15945 1 19 . 1 1 57 57 ASN C C 57 174.900 174.900 175.450 -0.550 17577 15946 1 19 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.532 0.468 17577 15947 1 19 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.745 0.555 17577 15948 1 19 . 1 1 57 57 ASN H H 57 8.370 8.370 8.280 0.090 17577 15949 1 19 . 1 1 58 58 GLY N N 58 106.500 106.500 106.103 0.397 17577 15950 1 19 . 1 1 58 58 GLY C C 58 172.000 172.000 172.692 -0.692 17577 15951 1 19 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.884 2.116 17577 15952 1 19 . 1 1 58 58 GLY H H 58 7.810 7.810 7.583 0.227 17577 15953 1 19 . 1 1 60 60 ARG N N 60 132.300 132.300 124.631 7.669 17577 15954 1 19 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.681 -0.101 17577 15955 1 19 . 1 1 60 60 ARG C C 60 174.000 174.000 174.056 -0.056 17577 15956 1 19 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.825 0.675 17577 15957 1 19 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.702 -0.302 17577 15958 1 19 . 1 1 60 60 ARG H H 60 9.120 9.120 8.594 0.526 17577 15959 1 19 . 1 1 61 61 LYS N N 61 126.200 126.200 126.733 -0.533 17577 15960 1 19 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.099 0.421 17577 15961 1 19 . 1 1 61 61 LYS C C 61 175.900 175.900 175.077 0.823 17577 15962 1 19 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.105 0.995 17577 15963 1 19 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.036 1.063 17577 15964 1 19 . 1 1 61 61 LYS H H 61 8.500 8.500 8.458 0.042 17577 15965 1 19 . 1 1 62 62 TRP N N 62 121.900 121.900 125.456 -3.556 17577 15966 1 19 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.931 -0.071 17577 15967 1 19 . 1 1 62 62 TRP C C 62 171.900 171.900 173.552 -1.652 17577 15968 1 19 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.454 1.246 17577 15969 1 19 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.409 0.891 17577 15970 1 19 . 1 1 62 62 TRP H H 62 8.070 8.070 8.891 -0.821 17577 15971 1 19 . 1 1 63 63 GLU N N 63 117.100 117.100 119.444 -2.344 17577 15972 1 19 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.030 1.580 17577 15973 1 19 . 1 1 63 63 GLU C C 63 175.500 175.500 174.153 1.347 17577 15974 1 19 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.290 0.910 17577 15975 1 19 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.242 2.858 17577 15976 1 19 . 1 1 63 63 GLU H H 63 8.450 8.450 7.946 0.504 17577 15977 1 19 . 1 1 64 64 THR N N 64 117.400 117.400 117.041 0.359 17577 15978 1 19 . 1 1 64 64 THR HA H 64 4.600 4.600 4.145 0.455 17577 15979 1 19 . 1 1 64 64 THR C C 64 171.800 171.800 172.449 -0.649 17577 15980 1 19 . 1 1 64 64 THR CA C 64 63.000 63.000 61.508 1.492 17577 15981 1 19 . 1 1 64 64 THR CB C 64 72.700 72.700 72.686 0.014 17577 15982 1 19 . 1 1 64 64 THR H H 64 8.980 8.980 7.938 1.042 17577 15983 1 19 . 1 1 65 65 THR N N 65 119.100 119.100 119.256 -0.156 17577 15984 1 19 . 1 1 65 65 THR HA H 65 5.260 5.260 4.408 0.852 17577 15985 1 19 . 1 1 65 65 THR C C 65 173.700 173.700 172.805 0.895 17577 15986 1 19 . 1 1 65 65 THR CA C 65 62.300 62.300 61.682 0.618 17577 15987 1 19 . 1 1 65 65 THR CB C 65 71.100 71.100 70.596 0.504 17577 15988 1 19 . 1 1 65 65 THR H H 65 8.380 8.380 8.194 0.186 17577 15989 1 19 . 1 1 66 66 PHE N N 66 123.400 123.400 123.736 -0.336 17577 15990 1 19 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.855 -0.025 17577 15991 1 19 . 1 1 66 66 PHE C C 66 174.200 174.200 174.923 -0.723 17577 15992 1 19 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.230 3.869 17577 15993 1 19 . 1 1 66 66 PHE CB C 66 45.600 45.600 39.810 5.790 17577 15994 1 19 . 1 1 66 66 PHE H H 66 9.590 9.590 8.592 0.998 17577 15995 1 19 . 1 1 67 67 LYS N N 67 119.700 119.700 122.384 -2.684 17577 15996 1 19 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.891 0.629 17577 15997 1 19 . 1 1 67 67 LYS C C 67 176.500 176.500 176.333 0.167 17577 15998 1 19 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.966 0.534 17577 15999 1 19 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.196 1.104 17577 16000 1 19 . 1 1 67 67 LYS H H 67 8.880 8.880 8.225 0.655 17577 16001 1 19 . 1 1 68 68 LYS N N 68 129.100 129.100 118.480 10.620 17577 16002 1 19 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.022 0.858 17577 16003 1 19 . 1 1 68 68 LYS C C 68 177.400 177.400 175.387 2.013 17577 16004 1 19 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.347 1.353 17577 16005 1 19 . 1 1 68 68 LYS CB C 68 35.300 35.300 30.435 4.865 17577 16006 1 19 . 1 1 68 68 LYS H H 68 8.850 8.850 8.660 0.190 17577 16007 1 19 . 1 1 69 69 THR N N 69 118.500 118.500 112.301 6.199 17577 16008 1 19 . 1 1 69 69 THR HA H 69 4.710 4.710 4.913 -0.203 17577 16009 1 19 . 1 1 69 69 THR C C 69 174.600 174.600 174.504 0.096 17577 16010 1 19 . 1 1 69 69 THR CA C 69 61.900 61.900 60.832 1.068 17577 16011 1 19 . 1 1 69 69 THR CB C 69 70.800 70.800 68.990 1.810 17577 16012 1 19 . 1 1 69 69 THR H H 69 8.720 8.720 8.022 0.698 17577 16013 1 19 . 1 1 70 70 SER N N 70 111.800 111.800 120.280 -8.480 17577 16014 1 19 . 1 1 70 70 SER HA H 70 4.420 4.420 4.877 -0.457 17577 16015 1 19 . 1 1 70 70 SER C C 70 174.500 174.500 174.566 -0.066 17577 16016 1 19 . 1 1 70 70 SER CA C 70 59.300 59.300 58.352 0.948 17577 16017 1 19 . 1 1 70 70 SER CB C 70 64.400 64.400 65.172 -0.772 17577 16018 1 19 . 1 1 70 70 SER H H 70 8.350 8.350 8.309 0.041 17577 16019 1 19 . 1 1 71 71 ASP N N 71 121.100 121.100 124.293 -3.193 17577 16020 1 19 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.358 0.022 17577 16021 1 19 . 1 1 71 71 ASP C C 71 175.600 175.600 176.622 -1.022 17577 16022 1 19 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.985 -0.885 17577 16023 1 19 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.991 2.009 17577 16024 1 19 . 1 1 71 71 ASP H H 71 7.960 7.960 8.511 -0.551 17577 16025 1 19 . 1 1 72 72 ASP N N 72 121.000 121.000 120.176 0.824 17577 16026 1 19 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.683 -0.233 17577 16027 1 19 . 1 1 72 72 ASP C C 72 175.900 175.900 176.533 -0.633 17577 16028 1 19 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.084 2.016 17577 16029 1 19 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.825 3.276 17577 16030 1 19 . 1 1 72 72 ASP H H 72 8.500 8.500 8.374 0.126 17577 16031 1 19 . 1 1 73 73 GLY N N 73 109.100 109.100 112.349 -3.249 17577 16032 1 19 . 1 1 73 73 GLY C C 73 172.800 172.800 174.032 -1.232 17577 16033 1 19 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.989 -0.489 17577 16034 1 19 . 1 1 73 73 GLY H H 73 8.200 8.200 7.921 0.279 17577 16035 1 19 . 1 1 74 74 GLU N N 74 123.300 123.300 124.924 -1.624 17577 16036 1 19 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.801 -0.031 17577 16037 1 19 . 1 1 74 74 GLU C C 74 173.600 173.600 174.653 -1.053 17577 16038 1 19 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.428 -0.028 17577 16039 1 19 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.745 -0.145 17577 16040 1 19 . 1 1 74 74 GLU H H 74 8.780 8.780 8.124 0.656 17577 16041 1 19 . 1 1 75 75 VAL N N 75 123.500 123.500 122.223 1.277 17577 16042 1 19 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.580 0.460 17577 16043 1 19 . 1 1 75 75 VAL C C 75 174.100 174.100 174.017 0.083 17577 16044 1 19 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.288 2.212 17577 16045 1 19 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.663 -1.663 17577 16046 1 19 . 1 1 75 75 VAL H H 75 7.870 7.870 8.334 -0.464 17577 16047 1 19 . 1 1 76 76 TYR N N 76 125.000 125.000 124.674 0.326 17577 16048 1 19 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.748 0.492 17577 16049 1 19 . 1 1 76 76 TYR C C 76 174.300 174.300 173.107 1.193 17577 16050 1 19 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.944 1.856 17577 16051 1 19 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.275 2.425 17577 16052 1 19 . 1 1 76 76 TYR H H 76 9.360 9.360 8.614 0.746 17577 16053 1 19 . 1 1 77 77 TYR N N 77 120.500 120.500 126.989 -6.489 17577 16054 1 19 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.142 1.738 17577 16055 1 19 . 1 1 77 77 TYR C C 77 174.600 174.600 173.427 1.173 17577 16056 1 19 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.694 1.306 17577 16057 1 19 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.597 3.003 17577 16058 1 19 . 1 1 77 77 TYR H H 77 9.480 9.480 8.197 1.283 17577 16059 1 19 . 1 1 78 78 SER N N 78 125.100 125.100 123.215 1.885 17577 16060 1 19 . 1 1 78 78 SER HA H 78 4.830 4.830 4.661 0.169 17577 16061 1 19 . 1 1 78 78 SER C C 78 174.300 174.300 173.692 0.608 17577 16062 1 19 . 1 1 78 78 SER CA C 78 55.600 55.600 56.435 -0.835 17577 16063 1 19 . 1 1 78 78 SER CB C 78 64.400 64.400 63.986 0.414 17577 16064 1 19 . 1 1 78 78 SER H H 78 8.570 8.570 7.702 0.868 17577 16065 1 19 . 1 1 79 79 GLU N N 79 130.000 130.000 126.605 3.395 17577 16066 1 19 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.765 0.215 17577 16067 1 19 . 1 1 79 79 GLU C C 79 178.600 178.600 177.285 1.315 17577 16068 1 19 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.821 0.279 17577 16069 1 19 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.678 0.822 17577 16070 1 19 . 1 1 79 79 GLU H H 79 8.670 8.670 8.728 -0.058 17577 16071 1 19 . 1 1 80 80 GLU N N 80 118.900 118.900 118.853 0.047 17577 16072 1 19 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.054 -0.054 17577 16073 1 19 . 1 1 80 80 GLU C C 80 177.700 177.700 176.735 0.965 17577 16074 1 19 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.779 1.221 17577 16075 1 19 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.352 1.148 17577 16076 1 19 . 1 1 80 80 GLU H H 80 8.560 8.560 8.694 -0.134 17577 16077 1 19 . 1 1 81 81 ALA N N 81 117.600 117.600 119.746 -2.146 17577 16078 1 19 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.346 0.044 17577 16079 1 19 . 1 1 81 81 ALA C C 81 176.000 176.000 176.722 -0.722 17577 16080 1 19 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.506 0.894 17577 16081 1 19 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.510 2.090 17577 16082 1 19 . 1 1 81 81 ALA H H 81 7.410 7.410 7.895 -0.485 17577 16083 1 19 . 1 1 82 82 LYS N N 82 118.300 118.300 116.749 1.551 17577 16084 1 19 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.724 0.146 17577 16085 1 19 . 1 1 82 82 LYS C C 82 175.100 175.100 174.462 0.638 17577 16086 1 19 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.196 0.004 17577 16087 1 19 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.624 0.676 17577 16088 1 19 . 1 1 82 82 LYS H H 82 7.830 7.830 7.968 -0.138 17577 16089 1 19 . 1 1 83 83 LYS N N 83 118.400 118.400 118.767 -0.367 17577 16090 1 19 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.608 0.832 17577 16091 1 19 . 1 1 83 83 LYS C C 83 172.400 172.400 174.061 -1.661 17577 16092 1 19 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.150 0.350 17577 16093 1 19 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.646 3.454 17577 16094 1 19 . 1 1 83 83 LYS H H 83 7.150 7.150 7.145 0.005 17577 16095 1 19 . 1 1 84 84 LYS N N 84 130.000 130.000 125.150 4.850 17577 16096 1 19 . 1 1 84 84 LYS HA H 84 5.680 5.680 3.925 1.755 17577 16097 1 19 . 1 1 84 84 LYS C C 84 174.900 174.900 174.141 0.759 17577 16098 1 19 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.079 1.621 17577 16099 1 19 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.289 1.711 17577 16100 1 19 . 1 1 84 84 LYS H H 84 9.540 9.540 8.691 0.849 17577 16101 1 19 . 1 1 85 85 VAL N N 85 121.100 121.100 116.739 4.361 17577 16102 1 19 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.046 -0.066 17577 16103 1 19 . 1 1 85 85 VAL C C 85 173.000 173.000 173.999 -0.999 17577 16104 1 19 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.686 1.714 17577 16105 1 19 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.568 1.132 17577 16106 1 19 . 1 1 85 85 VAL H H 85 9.510 9.510 7.912 1.598 17577 16107 1 19 . 1 1 86 86 GLU N N 86 123.700 123.700 127.427 -3.727 17577 16108 1 19 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.859 0.461 17577 16109 1 19 . 1 1 86 86 GLU C C 86 175.800 175.800 174.923 0.877 17577 16110 1 19 . 1 1 86 86 GLU CA C 86 54.700 54.700 54.085 0.615 17577 16111 1 19 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.844 0.356 17577 16112 1 19 . 1 1 86 86 GLU H H 86 8.830 8.830 9.280 -0.450 17577 16113 1 19 . 1 1 87 87 VAL N N 87 125.400 125.400 128.752 -3.352 17577 16114 1 19 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.080 0.090 17577 16115 1 19 . 1 1 87 87 VAL C C 87 176.000 176.000 174.488 1.512 17577 16116 1 19 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.878 -0.378 17577 16117 1 19 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.655 0.345 17577 16118 1 19 . 1 1 87 87 VAL H H 87 8.760 8.760 8.587 0.173 17577 16119 1 19 . 1 1 88 88 LEU N N 88 128.000 128.000 129.503 -1.503 17577 16120 1 19 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.436 -0.046 17577 16121 1 19 . 1 1 88 88 LEU C C 88 177.200 177.200 176.761 0.439 17577 16122 1 19 . 1 1 88 88 LEU CA C 88 57.000 57.000 56.134 0.866 17577 16123 1 19 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.737 1.463 17577 16124 1 19 . 1 1 88 88 LEU H H 88 8.990 8.990 8.456 0.534 17577 16125 1 19 . 1 1 89 89 ASP N N 89 113.900 113.900 116.114 -2.214 17577 16126 1 19 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.971 -0.191 17577 16127 1 19 . 1 1 89 89 ASP C C 89 173.900 173.900 174.064 -0.164 17577 16128 1 19 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.158 1.742 17577 16129 1 19 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.608 1.992 17577 16130 1 19 . 1 1 89 89 ASP H H 89 7.140 7.140 8.708 -1.568 17577 16131 1 19 . 1 1 90 90 THR N N 90 119.500 119.500 118.947 0.553 17577 16132 1 19 . 1 1 90 90 THR HA H 90 3.800 3.800 4.331 -0.531 17577 16133 1 19 . 1 1 90 90 THR C C 90 169.800 169.800 172.217 -2.417 17577 16134 1 19 . 1 1 90 90 THR CA C 90 61.500 61.500 61.974 -0.474 17577 16135 1 19 . 1 1 90 90 THR CB C 90 69.200 69.200 70.210 -1.010 17577 16136 1 19 . 1 1 90 90 THR H H 90 8.070 8.070 8.335 -0.265 17577 16137 1 19 . 1 1 91 91 ASP N N 91 122.400 122.400 126.102 -3.702 17577 16138 1 19 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.481 0.369 17577 16139 1 19 . 1 1 91 91 ASP C C 91 176.800 176.800 175.701 1.099 17577 16140 1 19 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.033 0.867 17577 16141 1 19 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.670 -0.770 17577 16142 1 19 . 1 1 91 91 ASP H H 91 6.790 6.790 8.036 -1.246 17577 16143 1 19 . 1 1 92 92 TYR N N 92 115.100 115.100 115.905 -0.805 17577 16144 1 19 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.837 -0.327 17577 16145 1 19 . 1 1 92 92 TYR C C 92 173.900 173.900 175.560 -1.660 17577 16146 1 19 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.465 3.835 17577 16147 1 19 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.521 1.079 17577 16148 1 19 . 1 1 92 92 TYR H H 92 9.420 9.420 7.294 2.126 17577 16149 1 19 . 1 1 93 93 LYS N N 93 112.300 112.300 118.464 -6.164 17577 16150 1 19 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.058 0.612 17577 16151 1 19 . 1 1 93 93 LYS C C 93 175.600 175.600 176.460 -0.860 17577 16152 1 19 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.208 1.292 17577 16153 1 19 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.724 5.076 17577 16154 1 19 . 1 1 93 93 LYS H H 93 8.080 8.080 8.177 -0.097 17577 16155 1 19 . 1 1 94 94 SER N N 94 120.300 120.300 107.463 12.837 17577 16156 1 19 . 1 1 94 94 SER HA H 94 4.820 4.820 4.532 0.288 17577 16157 1 19 . 1 1 94 94 SER CA C 94 61.200 61.200 58.376 2.824 17577 16158 1 19 . 1 1 94 94 SER CB C 94 68.800 68.800 65.589 3.211 17577 16159 1 19 . 1 1 94 94 SER H H 94 11.420 11.420 7.610 3.810 17577 16160 1 19 . 1 1 95 95 TYR N N 95 122.700 122.700 116.944 5.756 17577 16161 1 19 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.270 0.880 17577 16162 1 19 . 1 1 95 95 TYR C C 95 173.500 173.500 172.842 0.658 17577 16163 1 19 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.190 1.410 17577 16164 1 19 . 1 1 95 95 TYR CB C 95 42.600 42.600 39.990 2.610 17577 16165 1 19 . 1 1 95 95 TYR H H 95 8.490 8.490 7.141 1.349 17577 16166 1 19 . 1 1 96 96 ALA N N 96 120.900 120.900 120.724 0.176 17577 16167 1 19 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.774 -0.224 17577 16168 1 19 . 1 1 96 96 ALA C C 96 174.700 174.700 175.168 -0.468 17577 16169 1 19 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.502 1.998 17577 16170 1 19 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.351 1.349 17577 16171 1 19 . 1 1 96 96 ALA H H 96 9.010 9.010 8.298 0.712 17577 16172 1 19 . 1 1 97 97 VAL N N 97 121.700 121.700 123.617 -1.917 17577 16173 1 19 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.257 -0.237 17577 16174 1 19 . 1 1 97 97 VAL C C 97 174.300 174.300 174.781 -0.481 17577 16175 1 19 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.476 2.724 17577 16176 1 19 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.935 -0.335 17577 16177 1 19 . 1 1 97 97 VAL H H 97 9.310 9.310 9.204 0.106 17577 16178 1 19 . 1 1 98 98 ILE N N 98 129.600 129.600 127.137 2.463 17577 16179 1 19 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.883 0.167 17577 16180 1 19 . 1 1 98 98 ILE C C 98 174.000 174.000 173.171 0.829 17577 16181 1 19 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.142 0.058 17577 16182 1 19 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.586 0.114 17577 16183 1 19 . 1 1 98 98 ILE H H 98 9.550 9.550 8.252 1.298 17577 16184 1 19 . 1 1 99 99 TYR N N 99 128.100 128.100 129.645 -1.545 17577 16185 1 19 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.975 0.285 17577 16186 1 19 . 1 1 99 99 TYR C C 99 173.700 173.700 173.567 0.133 17577 16187 1 19 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.672 1.028 17577 16188 1 19 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.656 2.544 17577 16189 1 19 . 1 1 99 99 TYR H H 99 9.550 9.550 9.003 0.547 17577 16190 1 19 . 1 1 100 100 ALA N N 100 134.400 134.400 131.438 2.962 17577 16191 1 19 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.113 0.607 17577 16192 1 19 . 1 1 100 100 ALA C C 100 175.500 175.500 175.313 0.187 17577 16193 1 19 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.971 1.429 17577 16194 1 19 . 1 1 100 100 ALA CB C 100 24.900 24.900 22.027 2.873 17577 16195 1 19 . 1 1 100 100 ALA H H 100 9.610 9.610 8.868 0.742 17577 16196 1 19 . 1 1 101 101 THR N N 101 116.200 116.200 117.292 -1.092 17577 16197 1 19 . 1 1 101 101 THR HA H 101 5.450 5.450 4.624 0.826 17577 16198 1 19 . 1 1 101 101 THR C C 101 173.600 173.600 172.454 1.146 17577 16199 1 19 . 1 1 101 101 THR CA C 101 62.000 62.000 61.177 0.823 17577 16200 1 19 . 1 1 101 101 THR CB C 101 73.100 73.100 71.374 1.726 17577 16201 1 19 . 1 1 101 101 THR H H 101 9.430 9.430 8.611 0.819 17577 16202 1 19 . 1 1 102 102 ARG N N 102 125.700 125.700 127.820 -2.120 17577 16203 1 19 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.670 0.540 17577 16204 1 19 . 1 1 102 102 ARG C C 102 173.900 173.900 173.573 0.327 17577 16205 1 19 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.901 0.599 17577 16206 1 19 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.509 2.591 17577 16207 1 19 . 1 1 102 102 ARG H H 102 8.970 8.970 8.076 0.894 17577 16208 1 19 . 1 1 103 103 VAL N N 103 122.100 122.100 125.185 -3.085 17577 16209 1 19 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.521 0.249 17577 16210 1 19 . 1 1 103 103 VAL C C 103 175.700 175.700 174.246 1.454 17577 16211 1 19 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.500 1.900 17577 16212 1 19 . 1 1 103 103 VAL CB C 103 33.400 33.400 34.202 -0.802 17577 16213 1 19 . 1 1 103 103 VAL H H 103 7.870 7.870 8.068 -0.198 17577 16214 1 19 . 1 1 104 104 LYS N N 104 130.100 130.100 128.547 1.553 17577 16215 1 19 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.566 -0.106 17577 16216 1 19 . 1 1 104 104 LYS C C 104 175.400 175.400 175.337 0.063 17577 16217 1 19 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.273 1.727 17577 16218 1 19 . 1 1 104 104 LYS CB C 104 36.400 36.400 35.115 1.285 17577 16219 1 19 . 1 1 104 104 LYS H H 104 8.980 8.980 8.841 0.139 17577 16220 1 19 . 1 1 106 106 GLY N N 106 136.200 136.200 113.337 22.863 17577 16221 1 19 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.190 1.210 17577 16222 1 19 . 1 1 106 106 GLY H H 106 8.330 8.330 8.328 0.002 17577 16223 1 19 . 1 1 107 107 ARG N N 107 121.300 121.300 120.617 0.683 17577 16224 1 19 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.686 -0.016 17577 16225 1 19 . 1 1 107 107 ARG C C 107 174.500 174.500 174.692 -0.192 17577 16226 1 19 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.813 0.587 17577 16227 1 19 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.441 -0.241 17577 16228 1 19 . 1 1 107 107 ARG H H 107 7.880 7.880 8.041 -0.161 17577 16229 1 19 . 1 1 108 108 THR N N 108 118.800 118.800 117.248 1.552 17577 16230 1 19 . 1 1 108 108 THR HA H 108 4.490 4.490 4.451 0.039 17577 16231 1 19 . 1 1 108 108 THR C C 108 173.400 173.400 173.237 0.163 17577 16232 1 19 . 1 1 108 108 THR CA C 108 64.100 64.100 61.362 2.738 17577 16233 1 19 . 1 1 108 108 THR CB C 108 69.800 69.800 70.525 -0.725 17577 16234 1 19 . 1 1 108 108 THR H H 108 8.650 8.650 8.307 0.343 17577 16235 1 19 . 1 1 109 109 LEU N N 109 128.900 128.900 123.317 5.583 17577 16236 1 19 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.525 0.205 17577 16237 1 19 . 1 1 109 109 LEU C C 109 175.700 175.700 173.836 1.864 17577 16238 1 19 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.834 0.466 17577 16239 1 19 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.467 0.033 17577 16240 1 19 . 1 1 109 109 LEU H H 109 9.220 9.220 7.841 1.379 17577 16241 1 19 . 1 1 110 110 HIS N N 110 116.200 116.200 120.172 -3.972 17577 16242 1 19 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.118 0.922 17577 16243 1 19 . 1 1 110 110 HIS C C 110 175.300 175.300 174.238 1.062 17577 16244 1 19 . 1 1 110 110 HIS CA C 110 55.300 55.300 55.073 0.227 17577 16245 1 19 . 1 1 110 110 HIS CB C 110 34.500 34.500 33.211 1.289 17577 16246 1 19 . 1 1 110 110 HIS H H 110 8.490 8.490 8.318 0.172 17577 16247 1 19 . 1 1 111 111 MET N N 111 123.400 123.400 117.438 5.962 17577 16248 1 19 . 1 1 111 111 MET HA H 111 4.550 4.550 5.000 -0.450 17577 16249 1 19 . 1 1 111 111 MET C C 111 174.000 174.000 173.656 0.344 17577 16250 1 19 . 1 1 111 111 MET CA C 111 56.600 56.600 54.872 1.728 17577 16251 1 19 . 1 1 111 111 MET CB C 111 37.800 37.800 36.962 0.839 17577 16252 1 19 . 1 1 111 111 MET H H 111 9.090 9.090 9.158 -0.068 17577 16253 1 19 . 1 1 112 112 MET N N 112 122.900 122.900 121.006 1.894 17577 16254 1 19 . 1 1 112 112 MET HA H 112 5.670 5.670 5.500 0.170 17577 16255 1 19 . 1 1 112 112 MET C C 112 175.400 175.400 174.778 0.622 17577 16256 1 19 . 1 1 112 112 MET CA C 112 55.100 55.100 54.042 1.058 17577 16257 1 19 . 1 1 112 112 MET CB C 112 37.200 37.200 36.994 0.206 17577 16258 1 19 . 1 1 112 112 MET H H 112 9.120 9.120 8.640 0.480 17577 16259 1 19 . 1 1 113 113 ARG N N 113 119.500 119.500 122.841 -3.341 17577 16260 1 19 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.046 0.004 17577 16261 1 19 . 1 1 113 113 ARG C C 113 173.800 173.800 174.202 -0.402 17577 16262 1 19 . 1 1 113 113 ARG CA C 113 56.000 56.000 55.175 0.825 17577 16263 1 19 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.886 4.714 17577 16264 1 19 . 1 1 113 113 ARG H H 113 9.390 9.390 8.534 0.856 17577 16265 1 19 . 1 1 114 114 LEU N N 114 124.400 124.400 125.177 -0.777 17577 16266 1 19 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.047 -0.017 17577 16267 1 19 . 1 1 114 114 LEU C C 114 174.200 174.200 174.489 -0.289 17577 16268 1 19 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.148 0.952 17577 16269 1 19 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.101 -0.201 17577 16270 1 19 . 1 1 114 114 LEU H H 114 8.020 8.020 9.034 -1.014 17577 16271 1 19 . 1 1 115 115 TYR N N 115 126.000 126.000 126.350 -0.350 17577 16272 1 19 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.588 0.212 17577 16273 1 19 . 1 1 115 115 TYR C C 115 176.500 176.500 175.799 0.701 17577 16274 1 19 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.788 1.212 17577 16275 1 19 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.826 1.074 17577 16276 1 19 . 1 1 115 115 TYR H H 115 9.540 9.540 9.161 0.379 17577 16277 1 19 . 1 1 116 116 SER N N 116 113.200 113.200 115.014 -1.814 17577 16278 1 19 . 1 1 116 116 SER HA H 116 5.840 5.840 5.199 0.641 17577 16279 1 19 . 1 1 116 116 SER C C 116 175.400 175.400 174.587 0.813 17577 16280 1 19 . 1 1 116 116 SER CA C 116 56.600 56.600 55.627 0.973 17577 16281 1 19 . 1 1 116 116 SER CB C 116 67.700 67.700 65.297 2.403 17577 16282 1 19 . 1 1 116 116 SER H H 116 9.930 9.930 8.359 1.571 17577 16283 1 19 . 1 1 117 117 ARG N N 117 130.500 130.500 126.174 4.326 17577 16284 1 19 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.276 -0.596 17577 16285 1 19 . 1 1 117 117 ARG C C 117 175.400 175.400 176.465 -1.065 17577 16286 1 19 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.645 1.655 17577 16287 1 19 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.715 1.786 17577 16288 1 19 . 1 1 117 117 ARG H H 117 8.350 8.350 8.387 -0.037 17577 16289 1 19 . 1 1 118 118 SER N N 118 111.300 111.300 112.445 -1.145 17577 16290 1 19 . 1 1 118 118 SER HA H 118 4.990 4.990 4.822 0.168 17577 16291 1 19 . 1 1 118 118 SER C C 118 173.400 173.400 172.240 1.160 17577 16292 1 19 . 1 1 118 118 SER CA C 118 54.800 54.800 55.320 -0.520 17577 16293 1 19 . 1 1 118 118 SER CB C 118 65.800 65.800 64.825 0.975 17577 16294 1 19 . 1 1 118 118 SER H H 118 7.980 7.980 7.486 0.494 17577 16295 1 19 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.795 0.175 17577 16296 1 19 . 1 1 119 119 PRO C C 119 175.500 175.500 176.530 -1.030 17577 16297 1 19 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.086 1.014 17577 16298 1 19 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.893 0.307 17577 16299 1 19 . 1 1 120 120 GLU N N 120 117.500 117.500 116.960 0.540 17577 16300 1 19 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.306 -0.046 17577 16301 1 19 . 1 1 120 120 GLU C C 120 174.500 174.500 175.916 -1.416 17577 16302 1 19 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.821 -0.021 17577 16303 1 19 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.607 -0.907 17577 16304 1 19 . 1 1 120 120 GLU H H 120 7.410 7.410 7.432 -0.022 17577 16305 1 19 . 1 1 121 121 VAL N N 121 124.900 124.900 119.949 4.951 17577 16306 1 19 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.204 -0.064 17577 16307 1 19 . 1 1 121 121 VAL C C 121 174.400 174.400 175.917 -1.517 17577 16308 1 19 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.491 0.209 17577 16309 1 19 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.903 1.197 17577 16310 1 19 . 1 1 121 121 VAL H H 121 7.900 7.900 8.446 -0.546 17577 16311 1 19 . 1 1 122 122 SER N N 122 124.500 124.500 123.583 0.917 17577 16312 1 19 . 1 1 122 122 SER HA H 122 4.750 4.750 4.823 -0.073 17577 16313 1 19 . 1 1 122 122 SER CA C 122 57.300 57.300 55.153 2.147 17577 16314 1 19 . 1 1 122 122 SER CB C 122 64.500 64.500 64.484 0.016 17577 16315 1 19 . 1 1 122 122 SER H H 122 8.680 8.680 8.439 0.241 17577 16316 1 19 . 1 1 123 123 PRO C C 123 175.600 175.600 177.425 -1.825 17577 16317 1 19 . 1 1 123 123 PRO CA C 123 65.900 65.900 64.692 1.208 17577 16318 1 19 . 1 1 124 124 ALA N N 124 120.100 120.100 120.076 0.024 17577 16319 1 19 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.207 -0.137 17577 16320 1 19 . 1 1 124 124 ALA C C 124 179.900 179.900 179.022 0.878 17577 16321 1 19 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.495 1.305 17577 16322 1 19 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.168 0.932 17577 16323 1 19 . 1 1 124 124 ALA H H 124 8.030 8.030 7.872 0.158 17577 16324 1 19 . 1 1 125 125 ALA N N 125 121.100 121.100 121.293 -0.193 17577 16325 1 19 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.271 0.159 17577 16326 1 19 . 1 1 125 125 ALA C C 125 179.200 179.200 179.385 -0.185 17577 16327 1 19 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.580 1.020 17577 16328 1 19 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.417 0.783 17577 16329 1 19 . 1 1 125 125 ALA H H 125 7.510 7.510 7.525 -0.015 17577 16330 1 19 . 1 1 126 126 THR N N 126 113.200 113.200 114.245 -1.045 17577 16331 1 19 . 1 1 126 126 THR HA H 126 4.150 4.150 4.171 -0.021 17577 16332 1 19 . 1 1 126 126 THR C C 126 176.100 176.100 176.279 -0.179 17577 16333 1 19 . 1 1 126 126 THR CA C 126 68.900 68.900 66.534 2.366 17577 16334 1 19 . 1 1 126 126 THR CB C 126 67.700 67.700 68.468 -0.768 17577 16335 1 19 . 1 1 126 126 THR H H 126 7.820 7.820 7.705 0.115 17577 16336 1 19 . 1 1 127 127 ALA N N 127 123.100 123.100 124.975 -1.875 17577 16337 1 19 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.197 -0.117 17577 16338 1 19 . 1 1 127 127 ALA C C 127 181.100 181.100 179.263 1.837 17577 16339 1 19 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.886 1.314 17577 16340 1 19 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.231 0.469 17577 16341 1 19 . 1 1 127 127 ALA H H 127 7.900 7.900 7.495 0.405 17577 16342 1 19 . 1 1 128 128 ILE N N 128 120.900 120.900 119.618 1.282 17577 16343 1 19 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.798 -0.058 17577 16344 1 19 . 1 1 128 128 ILE C C 128 177.300 177.300 177.183 0.117 17577 16345 1 19 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.446 2.154 17577 16346 1 19 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.753 2.647 17577 16347 1 19 . 1 1 128 128 ILE H H 128 7.640 7.640 8.367 -0.727 17577 16348 1 19 . 1 1 129 129 PHE N N 129 120.300 120.300 120.566 -0.266 17577 16349 1 19 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.134 -0.124 17577 16350 1 19 . 1 1 129 129 PHE C C 129 176.100 176.100 177.197 -1.097 17577 16351 1 19 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.150 2.150 17577 16352 1 19 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.747 2.153 17577 16353 1 19 . 1 1 129 129 PHE H H 129 8.250 8.250 7.631 0.619 17577 16354 1 19 . 1 1 130 130 ARG N N 130 116.300 116.300 119.511 -3.211 17577 16355 1 19 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.689 -0.129 17577 16356 1 19 . 1 1 130 130 ARG C C 130 179.400 179.400 178.348 1.052 17577 16357 1 19 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.494 1.606 17577 16358 1 19 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.080 0.520 17577 16359 1 19 . 1 1 130 130 ARG H H 130 8.650 8.650 8.061 0.589 17577 16360 1 19 . 1 1 131 131 LYS N N 131 122.200 122.200 120.661 1.539 17577 16361 1 19 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.943 0.087 17577 16362 1 19 . 1 1 131 131 LYS C C 131 179.300 179.300 179.060 0.240 17577 16363 1 19 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.788 0.712 17577 16364 1 19 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.171 1.029 17577 16365 1 19 . 1 1 131 131 LYS H H 131 8.020 8.020 8.119 -0.099 17577 16366 1 19 . 1 1 132 132 LEU N N 132 120.300 120.300 119.423 0.877 17577 16367 1 19 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.081 -0.151 17577 16368 1 19 . 1 1 132 132 LEU C C 132 179.600 179.600 179.211 0.389 17577 16369 1 19 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.802 0.798 17577 16370 1 19 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.228 1.272 17577 16371 1 19 . 1 1 132 132 LEU H H 132 8.450 8.450 7.833 0.617 17577 16372 1 19 . 1 1 133 133 ALA N N 133 122.400 122.400 120.482 1.918 17577 16373 1 19 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.789 0.181 17577 16374 1 19 . 1 1 133 133 ALA C C 133 180.400 180.400 179.670 0.730 17577 16375 1 19 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.886 1.114 17577 16376 1 19 . 1 1 133 133 ALA CB C 133 16.900 16.900 18.129 -1.229 17577 16377 1 19 . 1 1 133 133 ALA H H 133 8.750 8.750 7.990 0.760 17577 16378 1 19 . 1 1 134 134 GLY N N 134 107.400 107.400 106.637 0.763 17577 16379 1 19 . 1 1 134 134 GLY C C 134 178.200 178.200 176.761 1.439 17577 16380 1 19 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.629 1.471 17577 16381 1 19 . 1 1 134 134 GLY H H 134 8.130 8.130 8.519 -0.389 17577 16382 1 19 . 1 1 135 135 GLU N N 135 121.900 121.900 120.613 1.287 17577 16383 1 19 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.052 -0.002 17577 16384 1 19 . 1 1 135 135 GLU C C 135 177.400 177.400 177.729 -0.329 17577 16385 1 19 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.206 1.094 17577 16386 1 19 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.741 0.659 17577 16387 1 19 . 1 1 135 135 GLU H H 135 7.730 7.730 7.731 -0.001 17577 16388 1 19 . 1 1 136 136 ARG N N 136 118.000 118.000 117.486 0.514 17577 16389 1 19 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.197 -0.047 17577 16390 1 19 . 1 1 136 136 ARG C C 136 173.500 173.500 174.697 -1.197 17577 16391 1 19 . 1 1 136 136 ARG CA C 136 55.800 55.800 54.615 1.185 17577 16392 1 19 . 1 1 136 136 ARG CB C 136 28.900 28.900 28.767 0.133 17577 16393 1 19 . 1 1 136 136 ARG H H 136 7.130 7.130 7.011 0.119 17577 16394 1 19 . 1 1 137 137 ASN N N 137 109.600 109.600 114.384 -4.784 17577 16395 1 19 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.282 -0.132 17577 16396 1 19 . 1 1 137 137 ASN C C 137 174.200 174.200 174.182 0.018 17577 16397 1 19 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.595 1.405 17577 16398 1 19 . 1 1 137 137 ASN CB C 137 37.200 37.200 37.061 0.139 17577 16399 1 19 . 1 1 137 137 ASN H H 137 7.560 7.560 7.758 -0.198 17577 16400 1 19 . 1 1 138 138 TYR N N 138 118.600 118.600 117.560 1.040 17577 16401 1 19 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.701 0.589 17577 16402 1 19 . 1 1 138 138 TYR C C 138 175.900 175.900 176.327 -0.427 17577 16403 1 19 . 1 1 138 138 TYR CA C 138 57.700 57.700 54.891 2.809 17577 16404 1 19 . 1 1 138 138 TYR CB C 138 37.600 37.600 37.896 -0.296 17577 16405 1 19 . 1 1 138 138 TYR H H 138 8.020 8.020 7.898 0.122 17577 16406 1 19 . 1 1 139 139 THR N N 139 115.000 115.000 115.245 -0.245 17577 16407 1 19 . 1 1 139 139 THR HA H 139 4.420 4.420 4.373 0.047 17577 16408 1 19 . 1 1 139 139 THR C C 139 175.500 175.500 175.924 -0.424 17577 16409 1 19 . 1 1 139 139 THR CA C 139 61.400 61.400 59.996 1.404 17577 16410 1 19 . 1 1 139 139 THR CB C 139 71.400 71.400 71.216 0.184 17577 16411 1 19 . 1 1 139 139 THR H H 139 7.740 7.740 7.854 -0.114 17577 16412 1 19 . 1 1 140 140 ASP N N 140 117.900 117.900 123.388 -5.488 17577 16413 1 19 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.219 0.041 17577 16414 1 19 . 1 1 140 140 ASP C C 140 178.400 178.400 178.384 0.016 17577 16415 1 19 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.520 1.480 17577 16416 1 19 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.895 1.905 17577 16417 1 19 . 1 1 140 140 ASP H H 140 8.630 8.630 8.885 -0.255 17577 16418 1 19 . 1 1 141 141 GLU N N 141 116.800 116.800 118.576 -1.776 17577 16419 1 19 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.105 0.165 17577 16420 1 19 . 1 1 141 141 GLU C C 141 176.200 176.200 177.621 -1.421 17577 16421 1 19 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.157 0.942 17577 16422 1 19 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.146 0.954 17577 16423 1 19 . 1 1 141 141 GLU H H 141 8.500 8.500 8.025 0.475 17577 16424 1 19 . 1 1 142 142 MET N N 142 117.400 117.400 114.320 3.080 17577 16425 1 19 . 1 1 142 142 MET HA H 142 4.490 4.490 4.335 0.155 17577 16426 1 19 . 1 1 142 142 MET C C 142 172.900 172.900 175.662 -2.762 17577 16427 1 19 . 1 1 142 142 MET CA C 142 57.100 57.100 56.972 0.128 17577 16428 1 19 . 1 1 142 142 MET CB C 142 33.400 33.400 33.539 -0.139 17577 16429 1 19 . 1 1 142 142 MET H H 142 7.960 7.960 7.854 0.106 17577 16430 1 19 . 1 1 143 143 VAL N N 143 116.800 116.800 119.301 -2.501 17577 16431 1 19 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.942 -0.152 17577 16432 1 19 . 1 1 143 143 VAL C C 143 175.600 175.600 174.153 1.447 17577 16433 1 19 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.609 2.591 17577 16434 1 19 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.059 0.441 17577 16435 1 19 . 1 1 143 143 VAL H H 143 7.120 7.120 7.829 -0.709 17577 16436 1 19 . 1 1 144 144 ALA N N 144 131.000 131.000 132.343 -1.343 17577 16437 1 19 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.820 -0.010 17577 16438 1 19 . 1 1 144 144 ALA C C 144 175.800 175.800 176.491 -0.691 17577 16439 1 19 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.625 0.875 17577 16440 1 19 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.572 1.028 17577 16441 1 19 . 1 1 144 144 ALA H H 144 9.600 9.600 8.315 1.285 17577 16442 1 19 . 1 1 145 145 MET N N 145 122.400 122.400 122.947 -0.547 17577 16443 1 19 . 1 1 145 145 MET HA H 145 4.890 4.890 4.533 0.357 17577 16444 1 19 . 1 1 145 145 MET C C 145 176.900 176.900 176.003 0.897 17577 16445 1 19 . 1 1 145 145 MET CA C 145 54.000 54.000 54.609 -0.609 17577 16446 1 19 . 1 1 145 145 MET CB C 145 30.100 30.100 32.147 -2.047 17577 16447 1 19 . 1 1 145 145 MET H H 145 8.630 8.630 8.703 -0.073 17577 16448 1 19 . 1 1 146 146 LEU N N 146 125.400 125.400 126.754 -1.354 17577 16449 1 19 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.864 -0.324 17577 16450 1 19 . 1 1 146 146 LEU C C 146 174.500 174.500 174.682 -0.182 17577 16451 1 19 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.411 2.489 17577 16452 1 19 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.109 -1.309 17577 16453 1 19 . 1 1 146 146 LEU H H 146 7.880 7.880 8.393 -0.513 17577 16454 1 19 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.778 -0.198 17577 16455 1 19 . 1 1 147 147 PRO C C 147 176.200 176.200 177.294 -1.094 17577 16456 1 19 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.129 1.171 17577 16457 1 19 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.095 0.505 17577 16458 1 19 . 1 1 148 148 ARG N N 148 120.700 120.700 117.918 2.782 17577 16459 1 19 . 1 1 148 148 ARG HA H 148 4.270 4.270 3.950 0.320 17577 16460 1 19 . 1 1 148 148 ARG C C 148 175.500 175.500 175.719 -0.219 17577 16461 1 19 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.649 0.651 17577 16462 1 19 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.635 2.765 17577 16463 1 19 . 1 1 148 148 ARG H H 148 8.540 8.540 8.612 -0.072 17577 16464 1 19 . 1 1 149 149 GLN N N 149 115.000 115.000 120.389 -5.389 17577 16465 1 19 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.170 0.550 17577 16466 1 19 . 1 1 149 149 GLN C C 149 174.300 174.300 175.406 -1.106 17577 16467 1 19 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.061 -1.161 17577 16468 1 19 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.984 0.716 17577 16469 1 19 . 1 1 149 149 GLN H H 149 7.770 7.770 8.058 -0.288 17577 16470 1 19 . 1 1 150 150 GLU N N 150 117.800 117.800 122.765 -4.965 17577 16471 1 19 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.568 -0.098 17577 16472 1 19 . 1 1 150 150 GLU C C 150 175.800 175.800 175.537 0.263 17577 16473 1 19 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.300 1.000 17577 16474 1 19 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.388 1.012 17577 16475 1 19 . 1 1 150 150 GLU H H 150 8.570 8.570 8.559 0.011 17577 16476 1 19 . 1 1 151 151 GLU N N 151 119.200 119.200 121.089 -1.889 17577 16477 1 19 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.479 -0.219 17577 16478 1 19 . 1 1 151 151 GLU C C 151 176.000 176.000 175.459 0.541 17577 16479 1 19 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.028 2.472 17577 16480 1 19 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.536 1.664 17577 16481 1 19 . 1 1 151 151 GLU H H 151 8.000 8.000 8.977 -0.977 17577 16482 1 19 . 1 1 152 152 CYS N N 152 122.100 122.100 117.957 4.143 17577 16483 1 19 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.960 0.180 17577 16484 1 19 . 1 1 152 152 CYS C C 152 172.800 172.800 173.167 -0.367 17577 16485 1 19 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.972 -3.972 17577 16486 1 19 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.570 4.330 17577 16487 1 19 . 1 1 152 152 CYS H H 152 9.620 9.620 7.960 1.660 17577 16488 1 19 . 1 1 153 153 THR N N 153 118.000 118.000 113.540 4.460 17577 16489 1 19 . 1 1 153 153 THR HA H 153 4.860 4.860 4.587 0.273 17577 16490 1 19 . 1 1 153 153 THR C C 153 173.000 173.000 173.862 -0.862 17577 16491 1 19 . 1 1 153 153 THR CA C 153 59.800 59.800 61.323 -1.523 17577 16492 1 19 . 1 1 153 153 THR CB C 153 72.500 72.500 70.027 2.473 17577 16493 1 19 . 1 1 153 153 THR H H 153 8.490 8.490 8.080 0.410 17577 16494 1 19 . 1 1 154 154 VAL N N 154 114.900 114.900 117.454 -2.554 17577 16495 1 19 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.267 -0.147 17577 16496 1 19 . 1 1 154 154 VAL C C 154 175.500 175.500 175.385 0.115 17577 16497 1 19 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.059 -0.059 17577 16498 1 19 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.804 0.296 17577 16499 1 19 . 1 1 154 154 VAL H H 154 6.920 6.920 8.184 -1.264 17577 16500 1 19 . 1 1 155 155 ASP N N 155 124.100 124.100 122.611 1.489 17577 16501 1 19 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.562 -0.072 17577 16502 1 19 . 1 1 155 155 ASP C C 155 175.800 175.800 175.456 0.344 17577 16503 1 19 . 1 1 155 155 ASP CA C 155 55.700 55.700 54.423 1.277 17577 16504 1 19 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.565 0.736 17577 16505 1 19 . 1 1 155 155 ASP H H 155 8.390 8.390 8.433 -0.043 17577 16506 1 19 . 1 1 156 156 GLU N N 156 121.000 121.000 120.105 0.895 17577 16507 1 19 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.593 -0.423 17577 16508 1 19 . 1 1 156 156 GLU C C 156 175.400 175.400 176.156 -0.756 17577 16509 1 19 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.618 1.882 17577 16510 1 19 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.724 1.676 17577 16511 1 19 . 1 1 156 156 GLU H H 156 8.450 8.450 8.498 -0.048 17577 16512 1 20 . 1 1 4 4 PRO C C 4 175.800 175.800 175.476 0.324 17577 16513 1 20 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.778 0.522 17577 16514 1 20 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.518 0.482 17577 16515 1 20 . 1 1 5 5 ASP N N 5 119.400 119.400 118.830 0.570 17577 16516 1 20 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.465 0.045 17577 16517 1 20 . 1 1 5 5 ASP C C 5 177.100 177.100 177.056 0.044 17577 16518 1 20 . 1 1 5 5 ASP CA C 5 54.800 54.800 56.360 -1.560 17577 16519 1 20 . 1 1 5 5 ASP CB C 5 42.400 42.400 41.051 1.349 17577 16520 1 20 . 1 1 5 5 ASP H H 5 8.090 8.090 8.377 -0.286 17577 16521 1 20 . 1 1 6 6 ARG N N 6 124.800 124.800 121.510 3.290 17577 16522 1 20 . 1 1 6 6 ARG C C 6 177.300 177.300 177.486 -0.186 17577 16523 1 20 . 1 1 6 6 ARG CA C 6 59.000 59.000 59.375 -0.375 17577 16524 1 20 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.688 0.812 17577 16525 1 20 . 1 1 6 6 ARG H H 6 8.590 8.590 8.497 0.093 17577 16526 1 20 . 1 1 7 7 SER N N 7 113.800 113.800 113.951 -0.151 17577 16527 1 20 . 1 1 7 7 SER CA C 7 62.400 62.400 61.311 1.089 17577 16528 1 20 . 1 1 7 7 SER CB C 7 63.800 63.800 62.644 1.156 17577 16529 1 20 . 1 1 7 7 SER H H 7 8.240 8.240 8.421 -0.181 17577 16530 1 20 . 1 1 8 8 GLU N N 8 120.200 120.200 118.178 2.022 17577 16531 1 20 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.073 0.257 17577 16532 1 20 . 1 1 8 8 GLU C C 8 177.100 177.100 177.678 -0.578 17577 16533 1 20 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.258 0.442 17577 16534 1 20 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.323 1.577 17577 16535 1 20 . 1 1 8 8 GLU H H 8 8.030 8.030 8.108 -0.078 17577 16536 1 20 . 1 1 9 9 ILE N N 9 112.800 112.800 118.366 -5.566 17577 16537 1 20 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.710 0.640 17577 16538 1 20 . 1 1 9 9 ILE C C 9 175.000 175.000 175.085 -0.085 17577 16539 1 20 . 1 1 9 9 ILE CA C 9 63.400 63.400 60.603 2.797 17577 16540 1 20 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.163 2.837 17577 16541 1 20 . 1 1 9 9 ILE H H 9 7.530 7.530 7.031 0.499 17577 16542 1 20 . 1 1 10 10 ALA N N 10 120.400 120.400 122.195 -1.795 17577 16543 1 20 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.527 -0.457 17577 16544 1 20 . 1 1 10 10 ALA C C 10 177.500 177.500 177.071 0.429 17577 16545 1 20 . 1 1 10 10 ALA CA C 10 54.000 54.000 54.065 -0.065 17577 16546 1 20 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.038 1.363 17577 16547 1 20 . 1 1 10 10 ALA H H 10 7.410 7.410 8.166 -0.756 17577 16548 1 20 . 1 1 11 11 GLY N N 11 108.300 108.300 109.398 -1.098 17577 16549 1 20 . 1 1 11 11 GLY C C 11 173.700 173.700 173.708 -0.008 17577 16550 1 20 . 1 1 11 11 GLY CA C 11 45.300 45.300 44.898 0.403 17577 16551 1 20 . 1 1 11 11 GLY H H 11 8.780 8.780 8.552 0.228 17577 16552 1 20 . 1 1 12 12 LYS N N 12 122.300 122.300 121.640 0.660 17577 16553 1 20 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.902 -0.072 17577 16554 1 20 . 1 1 12 12 LYS C C 12 175.900 175.900 174.113 1.787 17577 16555 1 20 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.113 2.187 17577 16556 1 20 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.725 0.275 17577 16557 1 20 . 1 1 12 12 LYS H H 12 8.740 8.740 7.684 1.056 17577 16558 1 20 . 1 1 13 13 TRP N N 13 126.000 126.000 126.481 -0.481 17577 16559 1 20 . 1 1 13 13 TRP HA H 13 4.630 4.630 4.993 -0.363 17577 16560 1 20 . 1 1 13 13 TRP C C 13 173.300 173.300 174.472 -1.172 17577 16561 1 20 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.372 1.328 17577 16562 1 20 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.892 3.508 17577 16563 1 20 . 1 1 13 13 TRP H H 13 9.440 9.440 9.602 -0.162 17577 16564 1 20 . 1 1 14 14 TYR N N 14 118.300 118.300 122.917 -4.617 17577 16565 1 20 . 1 1 14 14 TYR HA H 14 5.050 5.050 5.049 0.001 17577 16566 1 20 . 1 1 14 14 TYR C C 14 175.400 175.400 174.764 0.636 17577 16567 1 20 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.519 1.281 17577 16568 1 20 . 1 1 14 14 TYR CB C 14 41.500 41.500 41.576 -0.076 17577 16569 1 20 . 1 1 14 14 TYR H H 14 9.370 9.370 9.040 0.330 17577 16570 1 20 . 1 1 15 15 VAL N N 15 124.200 124.200 123.649 0.551 17577 16571 1 20 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.816 0.224 17577 16572 1 20 . 1 1 15 15 VAL C C 15 175.500 175.500 175.149 0.351 17577 16573 1 20 . 1 1 15 15 VAL CA C 15 62.700 62.700 61.353 1.347 17577 16574 1 20 . 1 1 15 15 VAL CB C 15 32.400 32.400 33.020 -0.620 17577 16575 1 20 . 1 1 15 15 VAL H H 15 9.000 9.000 8.911 0.089 17577 16576 1 20 . 1 1 16 16 VAL N N 16 114.600 114.600 121.128 -6.528 17577 16577 1 20 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.587 0.063 17577 16578 1 20 . 1 1 16 16 VAL C C 16 175.900 175.900 173.869 2.031 17577 16579 1 20 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.693 1.508 17577 16580 1 20 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.124 0.476 17577 16581 1 20 . 1 1 16 16 VAL H H 16 8.420 8.420 9.082 -0.662 17577 16582 1 20 . 1 1 17 17 ALA N N 17 122.900 122.900 121.426 1.474 17577 16583 1 20 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.080 0.190 17577 16584 1 20 . 1 1 17 17 ALA C C 17 174.200 174.200 174.920 -0.720 17577 16585 1 20 . 1 1 17 17 ALA CA C 17 53.100 53.100 52.325 0.775 17577 16586 1 20 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.368 2.732 17577 16587 1 20 . 1 1 17 17 ALA H H 17 7.590 7.590 7.361 0.229 17577 16588 1 20 . 1 1 18 18 LEU N N 18 118.000 118.000 118.332 -0.332 17577 16589 1 20 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.923 -0.483 17577 16590 1 20 . 1 1 18 18 LEU C C 18 176.100 176.100 175.109 0.991 17577 16591 1 20 . 1 1 18 18 LEU CA C 18 54.000 54.000 52.274 1.726 17577 16592 1 20 . 1 1 18 18 LEU CB C 18 49.800 49.800 45.665 4.135 17577 16593 1 20 . 1 1 18 18 LEU H H 18 8.570 8.570 8.282 0.288 17577 16594 1 20 . 1 1 19 19 ALA N N 19 120.300 120.300 119.982 0.318 17577 16595 1 20 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.559 -0.129 17577 16596 1 20 . 1 1 19 19 ALA C C 19 174.400 174.400 175.991 -1.591 17577 16597 1 20 . 1 1 19 19 ALA CA C 19 52.700 52.700 51.241 1.459 17577 16598 1 20 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.753 0.347 17577 16599 1 20 . 1 1 19 19 ALA H H 19 8.360 8.360 9.072 -0.712 17577 16600 1 20 . 1 1 20 20 SER N N 20 114.200 114.200 115.836 -1.636 17577 16601 1 20 . 1 1 20 20 SER HA H 20 3.890 3.890 4.700 -0.810 17577 16602 1 20 . 1 1 20 20 SER C C 20 170.700 170.700 172.509 -1.809 17577 16603 1 20 . 1 1 20 20 SER CA C 20 57.200 57.200 57.318 -0.118 17577 16604 1 20 . 1 1 20 20 SER CB C 20 64.200 64.200 65.126 -0.926 17577 16605 1 20 . 1 1 20 20 SER H H 20 7.450 7.450 8.310 -0.860 17577 16606 1 20 . 1 1 21 21 ASN N N 21 117.500 117.500 116.774 0.726 17577 16607 1 20 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.755 0.465 17577 16608 1 20 . 1 1 21 21 ASN C C 21 176.500 176.500 174.615 1.885 17577 16609 1 20 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.116 -0.616 17577 16610 1 20 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.703 -0.403 17577 16611 1 20 . 1 1 21 21 ASN H H 21 7.980 7.980 8.496 -0.516 17577 16612 1 20 . 1 1 22 22 THR N N 22 112.100 112.100 117.725 -5.625 17577 16613 1 20 . 1 1 22 22 THR HA H 22 4.420 4.420 3.842 0.578 17577 16614 1 20 . 1 1 22 22 THR C C 22 174.800 174.800 174.432 0.368 17577 16615 1 20 . 1 1 22 22 THR CA C 22 63.200 63.200 61.127 2.073 17577 16616 1 20 . 1 1 22 22 THR CB C 22 71.800 71.800 68.616 3.184 17577 16617 1 20 . 1 1 22 22 THR H H 22 8.140 8.140 7.659 0.481 17577 16618 1 20 . 1 1 23 23 GLU N N 23 122.700 122.700 129.335 -6.635 17577 16619 1 20 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.747 1.003 17577 16620 1 20 . 1 1 23 23 GLU C C 23 178.800 178.800 178.255 0.545 17577 16621 1 20 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.367 1.933 17577 16622 1 20 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.227 1.073 17577 16623 1 20 . 1 1 23 23 GLU H H 23 8.980 8.980 8.414 0.566 17577 16624 1 20 . 1 1 24 24 PHE N N 24 118.200 118.200 117.906 0.294 17577 16625 1 20 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.147 -0.167 17577 16626 1 20 . 1 1 24 24 PHE C C 24 175.900 175.900 177.866 -1.966 17577 16627 1 20 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.184 2.716 17577 16628 1 20 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.190 3.510 17577 16629 1 20 . 1 1 24 24 PHE H H 24 8.610 8.610 6.458 2.152 17577 16630 1 20 . 1 1 25 25 PHE N N 25 119.000 119.000 116.874 2.126 17577 16631 1 20 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.482 -0.642 17577 16632 1 20 . 1 1 25 25 PHE C C 25 176.500 176.500 178.089 -1.589 17577 16633 1 20 . 1 1 25 25 PHE CA C 25 62.800 62.800 57.604 5.196 17577 16634 1 20 . 1 1 25 25 PHE CB C 25 40.400 40.400 37.819 2.581 17577 16635 1 20 . 1 1 25 25 PHE H H 25 7.730 7.730 7.000 0.730 17577 16636 1 20 . 1 1 26 26 LEU N N 26 115.900 115.900 122.259 -6.359 17577 16637 1 20 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.013 -0.283 17577 16638 1 20 . 1 1 26 26 LEU C C 26 179.200 179.200 178.307 0.893 17577 16639 1 20 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.550 0.150 17577 16640 1 20 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.574 0.426 17577 16641 1 20 . 1 1 26 26 LEU H H 26 8.380 8.380 8.962 -0.582 17577 16642 1 20 . 1 1 27 27 ARG N N 27 116.900 116.900 118.249 -1.349 17577 16643 1 20 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.982 0.128 17577 16644 1 20 . 1 1 27 27 ARG C C 27 178.400 178.400 177.945 0.455 17577 16645 1 20 . 1 1 27 27 ARG CA C 27 59.200 59.200 58.686 0.514 17577 16646 1 20 . 1 1 27 27 ARG CB C 27 32.100 32.100 29.868 2.232 17577 16647 1 20 . 1 1 27 27 ARG H H 27 7.720 7.720 8.176 -0.456 17577 16648 1 20 . 1 1 28 28 GLU N N 28 116.000 116.000 117.469 -1.469 17577 16649 1 20 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.320 0.040 17577 16650 1 20 . 1 1 28 28 GLU C C 28 178.200 178.200 178.898 -0.698 17577 16651 1 20 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.532 -1.832 17577 16652 1 20 . 1 1 28 28 GLU CB C 28 30.900 30.900 30.092 0.808 17577 16653 1 20 . 1 1 28 28 GLU H H 28 7.660 7.660 7.707 -0.047 17577 16654 1 20 . 1 1 29 29 LYS N N 29 120.700 120.700 120.629 0.071 17577 16655 1 20 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.091 0.049 17577 16656 1 20 . 1 1 29 29 LYS C C 29 177.900 177.900 178.110 -0.210 17577 16657 1 20 . 1 1 29 29 LYS CA C 29 59.900 59.900 59.065 0.835 17577 16658 1 20 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.317 -0.917 17577 16659 1 20 . 1 1 29 29 LYS H H 29 7.910 7.910 8.702 -0.792 17577 16660 1 20 . 1 1 30 30 ASP N N 30 118.800 118.800 116.788 2.012 17577 16661 1 20 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.585 -0.195 17577 16662 1 20 . 1 1 30 30 ASP C C 30 177.000 177.000 177.349 -0.349 17577 16663 1 20 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.062 1.138 17577 16664 1 20 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.632 -0.032 17577 16665 1 20 . 1 1 30 30 ASP H H 30 8.390 8.390 7.880 0.510 17577 16666 1 20 . 1 1 31 31 LYS N N 31 118.000 118.000 117.898 0.102 17577 16667 1 20 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.313 0.077 17577 16668 1 20 . 1 1 31 31 LYS C C 31 177.200 177.200 176.925 0.275 17577 16669 1 20 . 1 1 31 31 LYS CA C 31 57.000 57.000 57.286 -0.286 17577 16670 1 20 . 1 1 31 31 LYS CB C 31 34.200 34.200 32.867 1.333 17577 16671 1 20 . 1 1 31 31 LYS H H 31 8.110 8.110 8.282 -0.172 17577 16672 1 20 . 1 1 32 32 MET N N 32 120.300 120.300 117.480 2.820 17577 16673 1 20 . 1 1 32 32 MET HA H 32 4.520 4.520 4.609 -0.089 17577 16674 1 20 . 1 1 32 32 MET C C 32 176.200 176.200 175.641 0.559 17577 16675 1 20 . 1 1 32 32 MET CA C 32 58.000 58.000 56.235 1.765 17577 16676 1 20 . 1 1 32 32 MET CB C 32 33.500 33.500 33.589 -0.089 17577 16677 1 20 . 1 1 32 32 MET H H 32 7.240 7.240 7.335 -0.095 17577 16678 1 20 . 1 1 33 33 LYS N N 33 120.200 120.200 116.937 3.263 17577 16679 1 20 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.573 0.127 17577 16680 1 20 . 1 1 33 33 LYS C C 33 173.000 173.000 176.314 -3.314 17577 16681 1 20 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.050 2.050 17577 16682 1 20 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.359 4.741 17577 16683 1 20 . 1 1 33 33 LYS H H 33 8.560 8.560 8.153 0.407 17577 16684 1 20 . 1 1 34 34 MET N N 34 118.300 118.300 120.425 -2.125 17577 16685 1 20 . 1 1 34 34 MET HA H 34 4.080 4.080 4.305 -0.225 17577 16686 1 20 . 1 1 34 34 MET C C 34 173.800 173.800 175.605 -1.805 17577 16687 1 20 . 1 1 34 34 MET CA C 34 59.500 59.500 57.111 2.389 17577 16688 1 20 . 1 1 34 34 MET CB C 34 35.700 35.700 33.405 2.295 17577 16689 1 20 . 1 1 34 34 MET H H 34 8.370 8.370 8.172 0.198 17577 16690 1 20 . 1 1 35 35 ALA N N 35 126.000 126.000 126.081 -0.081 17577 16691 1 20 . 1 1 35 35 ALA HA H 35 5.260 5.260 4.842 0.418 17577 16692 1 20 . 1 1 35 35 ALA C C 35 176.100 176.100 175.806 0.294 17577 16693 1 20 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.523 0.077 17577 16694 1 20 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.441 1.359 17577 16695 1 20 . 1 1 35 35 ALA H H 35 7.360 7.360 8.375 -1.015 17577 16696 1 20 . 1 1 36 36 MET N N 36 117.100 117.100 114.711 2.389 17577 16697 1 20 . 1 1 36 36 MET HA H 36 5.280 5.280 5.423 -0.143 17577 16698 1 20 . 1 1 36 36 MET C C 36 172.600 172.600 174.564 -1.964 17577 16699 1 20 . 1 1 36 36 MET CA C 36 56.100 56.100 52.215 3.885 17577 16700 1 20 . 1 1 36 36 MET CB C 36 39.600 39.600 36.182 3.418 17577 16701 1 20 . 1 1 36 36 MET H H 36 8.920 8.920 9.033 -0.113 17577 16702 1 20 . 1 1 37 37 ALA N N 37 121.700 121.700 120.037 1.663 17577 16703 1 20 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.716 0.714 17577 16704 1 20 . 1 1 37 37 ALA C C 37 175.400 175.400 174.656 0.744 17577 16705 1 20 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.836 -0.636 17577 16706 1 20 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.721 1.679 17577 16707 1 20 . 1 1 37 37 ALA H H 37 8.980 8.980 8.831 0.149 17577 16708 1 20 . 1 1 38 38 ARG N N 38 120.400 120.400 120.725 -0.325 17577 16709 1 20 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.880 0.270 17577 16710 1 20 . 1 1 38 38 ARG C C 38 174.900 174.900 173.847 1.053 17577 16711 1 20 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.208 -0.008 17577 16712 1 20 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.866 0.734 17577 16713 1 20 . 1 1 38 38 ARG H H 38 9.180 9.180 7.967 1.213 17577 16714 1 20 . 1 1 39 39 ILE N N 39 126.000 126.000 125.697 0.303 17577 16715 1 20 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.765 0.155 17577 16716 1 20 . 1 1 39 39 ILE C C 39 175.100 175.100 174.271 0.829 17577 16717 1 20 . 1 1 39 39 ILE CA C 39 60.200 60.200 59.031 1.169 17577 16718 1 20 . 1 1 39 39 ILE CB C 39 41.400 41.400 41.089 0.311 17577 16719 1 20 . 1 1 39 39 ILE H H 39 8.930 8.930 8.594 0.336 17577 16720 1 20 . 1 1 40 40 SER N N 40 121.700 121.700 120.788 0.912 17577 16721 1 20 . 1 1 40 40 SER HA H 40 4.630 4.630 4.808 -0.178 17577 16722 1 20 . 1 1 40 40 SER CA C 40 57.900 57.900 56.415 1.485 17577 16723 1 20 . 1 1 40 40 SER CB C 40 66.300 66.300 65.771 0.529 17577 16724 1 20 . 1 1 40 40 SER H H 40 8.780 8.780 8.943 -0.163 17577 16725 1 20 . 1 1 41 41 PHE N N 41 122.300 122.300 123.509 -1.209 17577 16726 1 20 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.649 0.001 17577 16727 1 20 . 1 1 41 41 PHE C C 41 175.900 175.900 175.032 0.868 17577 16728 1 20 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.426 2.674 17577 16729 1 20 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.735 1.965 17577 16730 1 20 . 1 1 41 41 PHE H H 41 9.080 9.080 8.962 0.118 17577 16731 1 20 . 1 1 42 42 LEU N N 42 125.100 125.100 125.872 -0.772 17577 16732 1 20 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.319 0.311 17577 16733 1 20 . 1 1 42 42 LEU C C 42 176.400 176.400 177.485 -1.085 17577 16734 1 20 . 1 1 42 42 LEU CA C 42 55.500 55.500 55.427 0.073 17577 16735 1 20 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.792 1.008 17577 16736 1 20 . 1 1 42 42 LEU H H 42 8.540 8.540 7.951 0.589 17577 16737 1 20 . 1 1 43 43 GLY N N 43 108.700 108.700 104.468 4.232 17577 16738 1 20 . 1 1 43 43 GLY C C 43 173.700 173.700 173.677 0.023 17577 16739 1 20 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.926 0.974 17577 16740 1 20 . 1 1 43 43 GLY H H 43 8.310 8.310 7.828 0.482 17577 16741 1 20 . 1 1 44 44 GLU N N 44 120.300 120.300 120.229 0.071 17577 16742 1 20 . 1 1 44 44 GLU HA H 44 4.110 4.110 3.723 0.387 17577 16743 1 20 . 1 1 44 44 GLU C C 44 177.200 177.200 176.507 0.693 17577 16744 1 20 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.121 0.479 17577 16745 1 20 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.794 1.006 17577 16746 1 20 . 1 1 44 44 GLU H H 44 8.900 8.900 8.889 0.011 17577 16747 1 20 . 1 1 45 45 ASP N N 45 115.200 115.200 114.704 0.496 17577 16748 1 20 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.825 0.045 17577 16749 1 20 . 1 1 45 45 ASP C C 45 174.500 174.500 175.888 -1.388 17577 16750 1 20 . 1 1 45 45 ASP CA C 45 54.800 54.800 54.619 0.181 17577 16751 1 20 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.920 1.780 17577 16752 1 20 . 1 1 45 45 ASP H H 45 8.500 8.500 8.352 0.148 17577 16753 1 20 . 1 1 46 46 GLU N N 46 117.800 117.800 117.076 0.724 17577 16754 1 20 . 1 1 46 46 GLU HA H 46 5.570 5.570 5.129 0.441 17577 16755 1 20 . 1 1 46 46 GLU C C 46 174.800 174.800 174.258 0.542 17577 16756 1 20 . 1 1 46 46 GLU CA C 46 56.300 56.300 55.457 0.843 17577 16757 1 20 . 1 1 46 46 GLU CB C 46 35.000 35.000 34.087 0.913 17577 16758 1 20 . 1 1 46 46 GLU H H 46 7.450 7.450 8.175 -0.725 17577 16759 1 20 . 1 1 47 47 LEU N N 47 124.200 124.200 117.868 6.332 17577 16760 1 20 . 1 1 47 47 LEU HA H 47 4.880 4.880 4.935 -0.055 17577 16761 1 20 . 1 1 47 47 LEU C C 47 173.900 173.900 174.607 -0.707 17577 16762 1 20 . 1 1 47 47 LEU CA C 47 55.300 55.300 53.002 2.298 17577 16763 1 20 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.410 0.690 17577 16764 1 20 . 1 1 47 47 LEU H H 47 9.160 9.160 8.619 0.541 17577 16765 1 20 . 1 1 48 48 LYS N N 48 123.800 123.800 121.825 1.975 17577 16766 1 20 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.396 0.554 17577 16767 1 20 . 1 1 48 48 LYS C C 48 174.300 174.300 174.160 0.140 17577 16768 1 20 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.431 0.569 17577 16769 1 20 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.555 1.245 17577 16770 1 20 . 1 1 48 48 LYS H H 48 9.020 9.020 8.590 0.430 17577 16771 1 20 . 1 1 49 49 VAL N N 49 126.600 126.600 126.478 0.122 17577 16772 1 20 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.685 -0.075 17577 16773 1 20 . 1 1 49 49 VAL C C 49 173.800 173.800 173.539 0.261 17577 16774 1 20 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.557 1.743 17577 16775 1 20 . 1 1 49 49 VAL CB C 49 35.300 35.300 36.114 -0.814 17577 16776 1 20 . 1 1 49 49 VAL H H 49 8.920 8.920 8.303 0.617 17577 16777 1 20 . 1 1 50 50 SER N N 50 120.900 120.900 121.954 -1.054 17577 16778 1 20 . 1 1 50 50 SER HA H 50 4.860 4.860 4.713 0.147 17577 16779 1 20 . 1 1 50 50 SER CA C 50 57.300 57.300 56.593 0.707 17577 16780 1 20 . 1 1 50 50 SER CB C 50 65.100 65.100 65.447 -0.347 17577 16781 1 20 . 1 1 50 50 SER H H 50 8.360 8.360 8.805 -0.445 17577 16782 1 20 . 1 1 51 51 TYR N N 51 122.000 122.000 122.385 -0.385 17577 16783 1 20 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.665 0.185 17577 16784 1 20 . 1 1 51 51 TYR C C 51 176.800 176.800 174.117 2.683 17577 16785 1 20 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.895 1.305 17577 16786 1 20 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.707 1.893 17577 16787 1 20 . 1 1 51 51 TYR H H 51 8.990 8.990 8.358 0.632 17577 16788 1 20 . 1 1 52 52 ALA N N 52 124.000 124.000 125.989 -1.989 17577 16789 1 20 . 1 1 52 52 ALA HA H 52 4.870 4.870 5.010 -0.140 17577 16790 1 20 . 1 1 52 52 ALA C C 52 174.800 174.800 175.112 -0.312 17577 16791 1 20 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.753 2.247 17577 16792 1 20 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.314 0.486 17577 16793 1 20 . 1 1 52 52 ALA H H 52 8.640 8.640 9.345 -0.705 17577 16794 1 20 . 1 1 53 53 VAL N N 53 124.300 124.300 124.275 0.025 17577 16795 1 20 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.624 0.146 17577 16796 1 20 . 1 1 53 53 VAL C C 53 174.200 174.200 173.711 0.489 17577 16797 1 20 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.876 0.424 17577 16798 1 20 . 1 1 53 53 VAL CB C 53 36.500 36.500 35.567 0.933 17577 16799 1 20 . 1 1 53 53 VAL H H 53 9.120 9.120 8.049 1.071 17577 16800 1 20 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.593 0.107 17577 16801 1 20 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.416 2.284 17577 16802 1 20 . 1 1 54 54 PRO CB C 54 32.900 32.900 31.747 1.153 17577 16803 1 20 . 1 1 55 55 LYS N N 55 121.100 121.100 124.172 -3.072 17577 16804 1 20 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.726 0.204 17577 16805 1 20 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.680 0.920 17577 16806 1 20 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.331 0.069 17577 16807 1 20 . 1 1 55 55 LYS H H 55 8.040 8.040 8.287 -0.247 17577 16808 1 20 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.196 0.084 17577 16809 1 20 . 1 1 56 56 PRO C C 56 177.200 177.200 177.245 -0.045 17577 16810 1 20 . 1 1 56 56 PRO CA C 56 66.400 66.400 65.294 1.106 17577 16811 1 20 . 1 1 56 56 PRO CB C 56 32.300 32.300 32.040 0.260 17577 16812 1 20 . 1 1 57 57 ASN N N 57 114.200 114.200 114.788 -0.588 17577 16813 1 20 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.656 0.064 17577 16814 1 20 . 1 1 57 57 ASN C C 57 174.900 174.900 175.567 -0.667 17577 16815 1 20 . 1 1 57 57 ASN CA C 57 54.000 54.000 53.366 0.634 17577 16816 1 20 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.770 0.530 17577 16817 1 20 . 1 1 57 57 ASN H H 57 8.370 8.370 8.294 0.076 17577 16818 1 20 . 1 1 58 58 GLY N N 58 106.500 106.500 106.753 -0.253 17577 16819 1 20 . 1 1 58 58 GLY C C 58 172.000 172.000 173.055 -1.055 17577 16820 1 20 . 1 1 58 58 GLY CA C 58 47.000 47.000 45.158 1.841 17577 16821 1 20 . 1 1 58 58 GLY H H 58 7.810 7.810 8.079 -0.269 17577 16822 1 20 . 1 1 60 60 ARG N N 60 132.300 132.300 125.250 7.050 17577 16823 1 20 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.661 -0.081 17577 16824 1 20 . 1 1 60 60 ARG C C 60 174.000 174.000 173.805 0.195 17577 16825 1 20 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.468 1.032 17577 16826 1 20 . 1 1 60 60 ARG CB C 60 32.400 32.400 33.136 -0.736 17577 16827 1 20 . 1 1 60 60 ARG H H 60 9.120 9.120 8.415 0.705 17577 16828 1 20 . 1 1 61 61 LYS N N 61 126.200 126.200 126.240 -0.040 17577 16829 1 20 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.448 0.072 17577 16830 1 20 . 1 1 61 61 LYS C C 61 175.900 175.900 175.007 0.893 17577 16831 1 20 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.154 0.946 17577 16832 1 20 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.119 0.981 17577 16833 1 20 . 1 1 61 61 LYS H H 61 8.500 8.500 8.413 0.087 17577 16834 1 20 . 1 1 62 62 TRP N N 62 121.900 121.900 124.734 -2.834 17577 16835 1 20 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.933 -0.073 17577 16836 1 20 . 1 1 62 62 TRP C C 62 171.900 171.900 173.601 -1.701 17577 16837 1 20 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.292 1.408 17577 16838 1 20 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.169 1.131 17577 16839 1 20 . 1 1 62 62 TRP H H 62 8.070 8.070 8.904 -0.834 17577 16840 1 20 . 1 1 63 63 GLU N N 63 117.100 117.100 119.699 -2.599 17577 16841 1 20 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.265 1.345 17577 16842 1 20 . 1 1 63 63 GLU C C 63 175.500 175.500 174.442 1.058 17577 16843 1 20 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.457 0.743 17577 16844 1 20 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.422 2.678 17577 16845 1 20 . 1 1 63 63 GLU H H 63 8.450 8.450 8.085 0.365 17577 16846 1 20 . 1 1 64 64 THR N N 64 117.400 117.400 116.994 0.406 17577 16847 1 20 . 1 1 64 64 THR HA H 64 4.600 4.600 4.134 0.466 17577 16848 1 20 . 1 1 64 64 THR C C 64 171.800 171.800 172.467 -0.667 17577 16849 1 20 . 1 1 64 64 THR CA C 64 63.000 63.000 61.243 1.757 17577 16850 1 20 . 1 1 64 64 THR CB C 64 72.700 72.700 72.259 0.441 17577 16851 1 20 . 1 1 64 64 THR H H 64 8.980 8.980 8.017 0.963 17577 16852 1 20 . 1 1 65 65 THR N N 65 119.100 119.100 119.042 0.058 17577 16853 1 20 . 1 1 65 65 THR HA H 65 5.260 5.260 4.477 0.783 17577 16854 1 20 . 1 1 65 65 THR C C 65 173.700 173.700 173.517 0.183 17577 16855 1 20 . 1 1 65 65 THR CA C 65 62.300 62.300 62.029 0.271 17577 16856 1 20 . 1 1 65 65 THR CB C 65 71.100 71.100 70.502 0.598 17577 16857 1 20 . 1 1 65 65 THR H H 65 8.380 8.380 8.372 0.008 17577 16858 1 20 . 1 1 66 66 PHE N N 66 123.400 123.400 124.678 -1.278 17577 16859 1 20 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.718 0.112 17577 16860 1 20 . 1 1 66 66 PHE C C 66 174.200 174.200 174.630 -0.430 17577 16861 1 20 . 1 1 66 66 PHE CA C 66 58.100 58.100 54.747 3.353 17577 16862 1 20 . 1 1 66 66 PHE CB C 66 45.600 45.600 40.048 5.552 17577 16863 1 20 . 1 1 66 66 PHE H H 66 9.590 9.590 8.864 0.726 17577 16864 1 20 . 1 1 67 67 LYS N N 67 119.700 119.700 122.611 -2.911 17577 16865 1 20 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.885 0.635 17577 16866 1 20 . 1 1 67 67 LYS C C 67 176.500 176.500 176.081 0.419 17577 16867 1 20 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.863 0.637 17577 16868 1 20 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.530 0.770 17577 16869 1 20 . 1 1 67 67 LYS H H 67 8.880 8.880 8.177 0.703 17577 16870 1 20 . 1 1 68 68 LYS N N 68 129.100 129.100 117.833 11.267 17577 16871 1 20 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.054 0.826 17577 16872 1 20 . 1 1 68 68 LYS C C 68 177.400 177.400 175.490 1.910 17577 16873 1 20 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.265 1.435 17577 16874 1 20 . 1 1 68 68 LYS CB C 68 35.300 35.300 30.635 4.665 17577 16875 1 20 . 1 1 68 68 LYS H H 68 8.850 8.850 9.007 -0.157 17577 16876 1 20 . 1 1 69 69 THR N N 69 118.500 118.500 112.180 6.320 17577 16877 1 20 . 1 1 69 69 THR HA H 69 4.710 4.710 4.904 -0.194 17577 16878 1 20 . 1 1 69 69 THR C C 69 174.600 174.600 174.252 0.348 17577 16879 1 20 . 1 1 69 69 THR CA C 69 61.900 61.900 60.801 1.099 17577 16880 1 20 . 1 1 69 69 THR CB C 69 70.800 70.800 68.871 1.929 17577 16881 1 20 . 1 1 69 69 THR H H 69 8.720 8.720 8.336 0.384 17577 16882 1 20 . 1 1 70 70 SER N N 70 111.800 111.800 120.072 -8.272 17577 16883 1 20 . 1 1 70 70 SER HA H 70 4.420 4.420 4.841 -0.421 17577 16884 1 20 . 1 1 70 70 SER C C 70 174.500 174.500 174.765 -0.265 17577 16885 1 20 . 1 1 70 70 SER CA C 70 59.300 59.300 58.063 1.237 17577 16886 1 20 . 1 1 70 70 SER CB C 70 64.400 64.400 63.738 0.662 17577 16887 1 20 . 1 1 70 70 SER H H 70 8.350 8.350 8.135 0.215 17577 16888 1 20 . 1 1 71 71 ASP N N 71 121.100 121.100 124.505 -3.405 17577 16889 1 20 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.385 -0.005 17577 16890 1 20 . 1 1 71 71 ASP C C 71 175.600 175.600 176.824 -1.224 17577 16891 1 20 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.531 -0.431 17577 16892 1 20 . 1 1 71 71 ASP CB C 71 43.000 43.000 40.881 2.119 17577 16893 1 20 . 1 1 71 71 ASP H H 71 7.960 7.960 8.517 -0.557 17577 16894 1 20 . 1 1 72 72 ASP N N 72 121.000 121.000 119.640 1.360 17577 16895 1 20 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.677 -0.227 17577 16896 1 20 . 1 1 72 72 ASP C C 72 175.900 175.900 176.539 -0.639 17577 16897 1 20 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.053 2.047 17577 16898 1 20 . 1 1 72 72 ASP CB C 72 42.100 42.100 38.864 3.236 17577 16899 1 20 . 1 1 72 72 ASP H H 72 8.500 8.500 8.382 0.118 17577 16900 1 20 . 1 1 73 73 GLY N N 73 109.100 109.100 112.203 -3.103 17577 16901 1 20 . 1 1 73 73 GLY C C 73 172.800 172.800 174.026 -1.226 17577 16902 1 20 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.989 -0.489 17577 16903 1 20 . 1 1 73 73 GLY H H 73 8.200 8.200 7.917 0.283 17577 16904 1 20 . 1 1 74 74 GLU N N 74 123.300 123.300 124.920 -1.620 17577 16905 1 20 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.798 -0.028 17577 16906 1 20 . 1 1 74 74 GLU C C 74 173.600 173.600 174.640 -1.040 17577 16907 1 20 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.451 -0.051 17577 16908 1 20 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.739 -0.140 17577 16909 1 20 . 1 1 74 74 GLU H H 74 8.780 8.780 8.126 0.654 17577 16910 1 20 . 1 1 75 75 VAL N N 75 123.500 123.500 122.184 1.316 17577 16911 1 20 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.455 0.585 17577 16912 1 20 . 1 1 75 75 VAL C C 75 174.100 174.100 174.047 0.053 17577 16913 1 20 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.238 2.262 17577 16914 1 20 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.581 -1.581 17577 16915 1 20 . 1 1 75 75 VAL H H 75 7.870 7.870 8.332 -0.462 17577 16916 1 20 . 1 1 76 76 TYR N N 76 125.000 125.000 124.533 0.467 17577 16917 1 20 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.746 0.494 17577 16918 1 20 . 1 1 76 76 TYR C C 76 174.300 174.300 172.995 1.305 17577 16919 1 20 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.838 1.962 17577 16920 1 20 . 1 1 76 76 TYR CB C 76 43.700 43.700 41.173 2.526 17577 16921 1 20 . 1 1 76 76 TYR H H 76 9.360 9.360 8.600 0.760 17577 16922 1 20 . 1 1 77 77 TYR N N 77 120.500 120.500 126.796 -6.296 17577 16923 1 20 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.119 1.761 17577 16924 1 20 . 1 1 77 77 TYR C C 77 174.600 174.600 173.740 0.860 17577 16925 1 20 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.789 1.211 17577 16926 1 20 . 1 1 77 77 TYR CB C 77 44.600 44.600 41.770 2.830 17577 16927 1 20 . 1 1 77 77 TYR H H 77 9.480 9.480 8.215 1.265 17577 16928 1 20 . 1 1 78 78 SER N N 78 125.100 125.100 122.652 2.448 17577 16929 1 20 . 1 1 78 78 SER HA H 78 4.830 4.830 4.954 -0.124 17577 16930 1 20 . 1 1 78 78 SER C C 78 174.300 174.300 174.352 -0.052 17577 16931 1 20 . 1 1 78 78 SER CA C 78 55.600 55.600 57.259 -1.659 17577 16932 1 20 . 1 1 78 78 SER CB C 78 64.400 64.400 63.951 0.449 17577 16933 1 20 . 1 1 78 78 SER H H 78 8.570 8.570 7.843 0.727 17577 16934 1 20 . 1 1 79 79 GLU N N 79 130.000 130.000 126.673 3.327 17577 16935 1 20 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.107 -0.127 17577 16936 1 20 . 1 1 79 79 GLU C C 79 178.600 178.600 177.462 1.138 17577 16937 1 20 . 1 1 79 79 GLU CA C 79 60.100 60.100 61.104 -1.004 17577 16938 1 20 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.751 0.749 17577 16939 1 20 . 1 1 79 79 GLU H H 79 8.670 8.670 9.032 -0.362 17577 16940 1 20 . 1 1 80 80 GLU N N 80 118.900 118.900 119.410 -0.510 17577 16941 1 20 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.249 -0.249 17577 16942 1 20 . 1 1 80 80 GLU C C 80 177.700 177.700 176.705 0.995 17577 16943 1 20 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.641 1.359 17577 16944 1 20 . 1 1 80 80 GLU CB C 80 30.500 30.500 28.864 1.636 17577 16945 1 20 . 1 1 80 80 GLU H H 80 8.560 8.560 8.779 -0.219 17577 16946 1 20 . 1 1 81 81 ALA N N 81 117.600 117.600 120.273 -2.673 17577 16947 1 20 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.543 -0.153 17577 16948 1 20 . 1 1 81 81 ALA C C 81 176.000 176.000 176.847 -0.847 17577 16949 1 20 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.794 0.606 17577 16950 1 20 . 1 1 81 81 ALA CB C 81 20.600 20.600 18.870 1.730 17577 16951 1 20 . 1 1 81 81 ALA H H 81 7.410 7.410 8.158 -0.748 17577 16952 1 20 . 1 1 82 82 LYS N N 82 118.300 118.300 117.364 0.936 17577 16953 1 20 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.764 0.106 17577 16954 1 20 . 1 1 82 82 LYS C C 82 175.100 175.100 174.439 0.661 17577 16955 1 20 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.261 -0.061 17577 16956 1 20 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.394 0.906 17577 16957 1 20 . 1 1 82 82 LYS H H 82 7.830 7.830 7.981 -0.151 17577 16958 1 20 . 1 1 83 83 LYS N N 83 118.400 118.400 118.189 0.211 17577 16959 1 20 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.434 1.006 17577 16960 1 20 . 1 1 83 83 LYS C C 83 172.400 172.400 173.694 -1.294 17577 16961 1 20 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.148 0.352 17577 16962 1 20 . 1 1 83 83 LYS CB C 83 40.100 40.100 36.489 3.611 17577 16963 1 20 . 1 1 83 83 LYS H H 83 7.150 7.150 7.099 0.051 17577 16964 1 20 . 1 1 84 84 LYS N N 84 130.000 130.000 124.697 5.303 17577 16965 1 20 . 1 1 84 84 LYS HA H 84 5.680 5.680 3.910 1.770 17577 16966 1 20 . 1 1 84 84 LYS C C 84 174.900 174.900 173.940 0.960 17577 16967 1 20 . 1 1 84 84 LYS CA C 84 55.700 55.700 53.782 1.918 17577 16968 1 20 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.120 1.880 17577 16969 1 20 . 1 1 84 84 LYS H H 84 9.540 9.540 8.197 1.343 17577 16970 1 20 . 1 1 85 85 VAL N N 85 121.100 121.100 117.927 3.173 17577 16971 1 20 . 1 1 85 85 VAL HA H 85 4.980 4.980 4.925 0.055 17577 16972 1 20 . 1 1 85 85 VAL C C 85 173.000 173.000 174.059 -1.059 17577 16973 1 20 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.803 1.597 17577 16974 1 20 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.344 1.355 17577 16975 1 20 . 1 1 85 85 VAL H H 85 9.510 9.510 7.877 1.633 17577 16976 1 20 . 1 1 86 86 GLU N N 86 123.700 123.700 127.613 -3.913 17577 16977 1 20 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.868 0.452 17577 16978 1 20 . 1 1 86 86 GLU C C 86 175.800 175.800 174.784 1.016 17577 16979 1 20 . 1 1 86 86 GLU CA C 86 54.700 54.700 54.056 0.644 17577 16980 1 20 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.358 0.842 17577 16981 1 20 . 1 1 86 86 GLU H H 86 8.830 8.830 8.970 -0.140 17577 16982 1 20 . 1 1 87 87 VAL N N 87 125.400 125.400 128.442 -3.042 17577 16983 1 20 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.033 0.137 17577 16984 1 20 . 1 1 87 87 VAL C C 87 176.000 176.000 174.608 1.392 17577 16985 1 20 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.659 -0.159 17577 16986 1 20 . 1 1 87 87 VAL CB C 87 32.000 32.000 32.086 -0.086 17577 16987 1 20 . 1 1 87 87 VAL H H 87 8.760 8.760 8.748 0.012 17577 16988 1 20 . 1 1 88 88 LEU N N 88 128.000 128.000 129.988 -1.988 17577 16989 1 20 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.563 -0.173 17577 16990 1 20 . 1 1 88 88 LEU C C 88 177.200 177.200 177.031 0.169 17577 16991 1 20 . 1 1 88 88 LEU CA C 88 57.000 57.000 56.444 0.556 17577 16992 1 20 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.578 1.621 17577 16993 1 20 . 1 1 88 88 LEU H H 88 8.990 8.990 8.274 0.716 17577 16994 1 20 . 1 1 89 89 ASP N N 89 113.900 113.900 116.454 -2.554 17577 16995 1 20 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.972 -0.192 17577 16996 1 20 . 1 1 89 89 ASP C C 89 173.900 173.900 174.166 -0.266 17577 16997 1 20 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.149 1.751 17577 16998 1 20 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.889 1.711 17577 16999 1 20 . 1 1 89 89 ASP H H 89 7.140 7.140 8.769 -1.629 17577 17000 1 20 . 1 1 90 90 THR N N 90 119.500 119.500 119.113 0.387 17577 17001 1 20 . 1 1 90 90 THR HA H 90 3.800 3.800 4.314 -0.514 17577 17002 1 20 . 1 1 90 90 THR C C 90 169.800 169.800 172.253 -2.453 17577 17003 1 20 . 1 1 90 90 THR CA C 90 61.500 61.500 62.089 -0.589 17577 17004 1 20 . 1 1 90 90 THR CB C 90 69.200 69.200 70.732 -1.532 17577 17005 1 20 . 1 1 90 90 THR H H 90 8.070 8.070 8.327 -0.257 17577 17006 1 20 . 1 1 91 91 ASP N N 91 122.400 122.400 125.998 -3.598 17577 17007 1 20 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.487 0.363 17577 17008 1 20 . 1 1 91 91 ASP C C 91 176.800 176.800 175.685 1.115 17577 17009 1 20 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.054 0.846 17577 17010 1 20 . 1 1 91 91 ASP CB C 91 41.900 41.900 42.701 -0.801 17577 17011 1 20 . 1 1 91 91 ASP H H 91 6.790 6.790 8.039 -1.249 17577 17012 1 20 . 1 1 92 92 TYR N N 92 115.100 115.100 115.923 -0.823 17577 17013 1 20 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.835 -0.325 17577 17014 1 20 . 1 1 92 92 TYR C C 92 173.900 173.900 175.576 -1.676 17577 17015 1 20 . 1 1 92 92 TYR CA C 92 62.300 62.300 58.450 3.850 17577 17016 1 20 . 1 1 92 92 TYR CB C 92 36.600 36.600 35.491 1.109 17577 17017 1 20 . 1 1 92 92 TYR H H 92 9.420 9.420 7.285 2.135 17577 17018 1 20 . 1 1 93 93 LYS N N 93 112.300 112.300 118.484 -6.184 17577 17019 1 20 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.059 0.611 17577 17020 1 20 . 1 1 93 93 LYS C C 93 175.600 175.600 176.374 -0.774 17577 17021 1 20 . 1 1 93 93 LYS CA C 93 59.500 59.500 58.156 1.344 17577 17022 1 20 . 1 1 93 93 LYS CB C 93 37.800 37.800 32.684 5.117 17577 17023 1 20 . 1 1 93 93 LYS H H 93 8.080 8.080 8.228 -0.148 17577 17024 1 20 . 1 1 94 94 SER N N 94 120.300 120.300 107.882 12.418 17577 17025 1 20 . 1 1 94 94 SER HA H 94 4.820 4.820 4.531 0.289 17577 17026 1 20 . 1 1 94 94 SER CA C 94 61.200 61.200 58.440 2.760 17577 17027 1 20 . 1 1 94 94 SER CB C 94 68.800 68.800 65.661 3.139 17577 17028 1 20 . 1 1 94 94 SER H H 94 11.420 11.420 7.589 3.831 17577 17029 1 20 . 1 1 95 95 TYR N N 95 122.700 122.700 116.483 6.217 17577 17030 1 20 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.233 0.917 17577 17031 1 20 . 1 1 95 95 TYR C C 95 173.500 173.500 172.890 0.610 17577 17032 1 20 . 1 1 95 95 TYR CA C 95 58.600 58.600 57.146 1.454 17577 17033 1 20 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.076 2.524 17577 17034 1 20 . 1 1 95 95 TYR H H 95 8.490 8.490 7.123 1.367 17577 17035 1 20 . 1 1 96 96 ALA N N 96 120.900 120.900 121.105 -0.205 17577 17036 1 20 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.758 -0.208 17577 17037 1 20 . 1 1 96 96 ALA C C 96 174.700 174.700 174.922 -0.222 17577 17038 1 20 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.578 1.922 17577 17039 1 20 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.426 1.274 17577 17040 1 20 . 1 1 96 96 ALA H H 96 9.010 9.010 8.317 0.693 17577 17041 1 20 . 1 1 97 97 VAL N N 97 121.700 121.700 124.216 -2.516 17577 17042 1 20 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.231 -0.211 17577 17043 1 20 . 1 1 97 97 VAL C C 97 174.300 174.300 174.735 -0.435 17577 17044 1 20 . 1 1 97 97 VAL CA C 97 63.200 63.200 61.506 1.694 17577 17045 1 20 . 1 1 97 97 VAL CB C 97 33.600 33.600 34.367 -0.767 17577 17046 1 20 . 1 1 97 97 VAL H H 97 9.310 9.310 9.188 0.122 17577 17047 1 20 . 1 1 98 98 ILE N N 98 129.600 129.600 126.881 2.719 17577 17048 1 20 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.918 0.132 17577 17049 1 20 . 1 1 98 98 ILE C C 98 174.000 174.000 173.269 0.731 17577 17050 1 20 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.230 -0.030 17577 17051 1 20 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.625 0.075 17577 17052 1 20 . 1 1 98 98 ILE H H 98 9.550 9.550 8.368 1.182 17577 17053 1 20 . 1 1 99 99 TYR N N 99 128.100 128.100 129.802 -1.702 17577 17054 1 20 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.897 0.363 17577 17055 1 20 . 1 1 99 99 TYR C C 99 173.700 173.700 173.465 0.235 17577 17056 1 20 . 1 1 99 99 TYR CA C 99 57.700 57.700 56.718 0.982 17577 17057 1 20 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.506 2.694 17577 17058 1 20 . 1 1 99 99 TYR H H 99 9.550 9.550 8.791 0.759 17577 17059 1 20 . 1 1 100 100 ALA N N 100 134.400 134.400 131.288 3.112 17577 17060 1 20 . 1 1 100 100 ALA HA H 100 5.720 5.720 4.892 0.828 17577 17061 1 20 . 1 1 100 100 ALA C C 100 175.500 175.500 175.263 0.237 17577 17062 1 20 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.954 1.446 17577 17063 1 20 . 1 1 100 100 ALA CB C 100 24.900 24.900 22.079 2.821 17577 17064 1 20 . 1 1 100 100 ALA H H 100 9.610 9.610 8.463 1.147 17577 17065 1 20 . 1 1 101 101 THR N N 101 116.200 116.200 117.054 -0.854 17577 17066 1 20 . 1 1 101 101 THR HA H 101 5.450 5.450 4.628 0.822 17577 17067 1 20 . 1 1 101 101 THR C C 101 173.600 173.600 172.461 1.139 17577 17068 1 20 . 1 1 101 101 THR CA C 101 62.000 62.000 61.239 0.761 17577 17069 1 20 . 1 1 101 101 THR CB C 101 73.100 73.100 71.370 1.730 17577 17070 1 20 . 1 1 101 101 THR H H 101 9.430 9.430 8.232 1.198 17577 17071 1 20 . 1 1 102 102 ARG N N 102 125.700 125.700 127.823 -2.123 17577 17072 1 20 . 1 1 102 102 ARG HA H 102 5.210 5.210 4.639 0.571 17577 17073 1 20 . 1 1 102 102 ARG C C 102 173.900 173.900 173.747 0.153 17577 17074 1 20 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.751 0.749 17577 17075 1 20 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.611 2.489 17577 17076 1 20 . 1 1 102 102 ARG H H 102 8.970 8.970 8.249 0.721 17577 17077 1 20 . 1 1 103 103 VAL N N 103 122.100 122.100 126.411 -4.311 17577 17078 1 20 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.545 0.225 17577 17079 1 20 . 1 1 103 103 VAL C C 103 175.700 175.700 174.091 1.609 17577 17080 1 20 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.695 1.705 17577 17081 1 20 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.586 -0.185 17577 17082 1 20 . 1 1 103 103 VAL H H 103 7.870 7.870 7.977 -0.107 17577 17083 1 20 . 1 1 104 104 LYS N N 104 130.100 130.100 127.317 2.783 17577 17084 1 20 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.549 -0.089 17577 17085 1 20 . 1 1 104 104 LYS C C 104 175.400 175.400 175.555 -0.155 17577 17086 1 20 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.413 1.587 17577 17087 1 20 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.247 2.153 17577 17088 1 20 . 1 1 104 104 LYS H H 104 8.980 8.980 8.562 0.418 17577 17089 1 20 . 1 1 106 106 GLY N N 106 136.200 136.200 112.880 23.320 17577 17090 1 20 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.170 1.230 17577 17091 1 20 . 1 1 106 106 GLY H H 106 8.330 8.330 8.402 -0.072 17577 17092 1 20 . 1 1 107 107 ARG N N 107 121.300 121.300 120.738 0.562 17577 17093 1 20 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.698 -0.028 17577 17094 1 20 . 1 1 107 107 ARG C C 107 174.500 174.500 174.722 -0.222 17577 17095 1 20 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.848 0.552 17577 17096 1 20 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.435 -0.235 17577 17097 1 20 . 1 1 107 107 ARG H H 107 7.880 7.880 8.018 -0.138 17577 17098 1 20 . 1 1 108 108 THR N N 108 118.800 118.800 117.637 1.163 17577 17099 1 20 . 1 1 108 108 THR HA H 108 4.490 4.490 4.554 -0.064 17577 17100 1 20 . 1 1 108 108 THR C C 108 173.400 173.400 173.434 -0.034 17577 17101 1 20 . 1 1 108 108 THR CA C 108 64.100 64.100 61.501 2.599 17577 17102 1 20 . 1 1 108 108 THR CB C 108 69.800 69.800 70.671 -0.871 17577 17103 1 20 . 1 1 108 108 THR H H 108 8.650 8.650 8.353 0.297 17577 17104 1 20 . 1 1 109 109 LEU N N 109 128.900 128.900 123.956 4.944 17577 17105 1 20 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.688 0.042 17577 17106 1 20 . 1 1 109 109 LEU C C 109 175.700 175.700 174.348 1.352 17577 17107 1 20 . 1 1 109 109 LEU CA C 109 54.300 54.300 53.908 0.391 17577 17108 1 20 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.121 0.379 17577 17109 1 20 . 1 1 109 109 LEU H H 109 9.220 9.220 8.390 0.830 17577 17110 1 20 . 1 1 110 110 HIS N N 110 116.200 116.200 119.213 -3.013 17577 17111 1 20 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.097 0.943 17577 17112 1 20 . 1 1 110 110 HIS C C 110 175.300 175.300 173.396 1.904 17577 17113 1 20 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.347 0.952 17577 17114 1 20 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.336 2.164 17577 17115 1 20 . 1 1 110 110 HIS H H 110 8.490 8.490 7.861 0.629 17577 17116 1 20 . 1 1 111 111 MET N N 111 123.400 123.400 117.342 6.058 17577 17117 1 20 . 1 1 111 111 MET HA H 111 4.550 4.550 4.954 -0.404 17577 17118 1 20 . 1 1 111 111 MET C C 111 174.000 174.000 173.448 0.552 17577 17119 1 20 . 1 1 111 111 MET CA C 111 56.600 56.600 54.901 1.699 17577 17120 1 20 . 1 1 111 111 MET CB C 111 37.800 37.800 37.101 0.699 17577 17121 1 20 . 1 1 111 111 MET H H 111 9.090 9.090 9.059 0.031 17577 17122 1 20 . 1 1 112 112 MET N N 112 122.900 122.900 120.853 2.047 17577 17123 1 20 . 1 1 112 112 MET HA H 112 5.670 5.670 5.214 0.456 17577 17124 1 20 . 1 1 112 112 MET C C 112 175.400 175.400 175.074 0.326 17577 17125 1 20 . 1 1 112 112 MET CA C 112 55.100 55.100 54.377 0.723 17577 17126 1 20 . 1 1 112 112 MET CB C 112 37.200 37.200 36.627 0.573 17577 17127 1 20 . 1 1 112 112 MET H H 112 9.120 9.120 8.980 0.140 17577 17128 1 20 . 1 1 113 113 ARG N N 113 119.500 119.500 123.176 -3.676 17577 17129 1 20 . 1 1 113 113 ARG HA H 113 5.050 5.050 5.104 -0.054 17577 17130 1 20 . 1 1 113 113 ARG C C 113 173.800 173.800 174.180 -0.380 17577 17131 1 20 . 1 1 113 113 ARG CA C 113 56.000 56.000 55.261 0.739 17577 17132 1 20 . 1 1 113 113 ARG CB C 113 38.600 38.600 33.764 4.836 17577 17133 1 20 . 1 1 113 113 ARG H H 113 9.390 9.390 8.617 0.773 17577 17134 1 20 . 1 1 114 114 LEU N N 114 124.400 124.400 125.129 -0.729 17577 17135 1 20 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.003 0.027 17577 17136 1 20 . 1 1 114 114 LEU C C 114 174.200 174.200 174.392 -0.192 17577 17137 1 20 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.219 0.881 17577 17138 1 20 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.391 -0.491 17577 17139 1 20 . 1 1 114 114 LEU H H 114 8.020 8.020 9.112 -1.092 17577 17140 1 20 . 1 1 115 115 TYR N N 115 126.000 126.000 125.733 0.267 17577 17141 1 20 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.558 0.242 17577 17142 1 20 . 1 1 115 115 TYR C C 115 176.500 176.500 175.780 0.720 17577 17143 1 20 . 1 1 115 115 TYR CA C 115 58.000 58.000 56.673 1.327 17577 17144 1 20 . 1 1 115 115 TYR CB C 115 42.900 42.900 41.701 1.199 17577 17145 1 20 . 1 1 115 115 TYR H H 115 9.540 9.540 9.281 0.259 17577 17146 1 20 . 1 1 116 116 SER N N 116 113.200 113.200 114.332 -1.132 17577 17147 1 20 . 1 1 116 116 SER HA H 116 5.840 5.840 5.192 0.648 17577 17148 1 20 . 1 1 116 116 SER C C 116 175.400 175.400 174.593 0.807 17577 17149 1 20 . 1 1 116 116 SER CA C 116 56.600 56.600 56.111 0.489 17577 17150 1 20 . 1 1 116 116 SER CB C 116 67.700 67.700 65.227 2.473 17577 17151 1 20 . 1 1 116 116 SER H H 116 9.930 9.930 8.427 1.503 17577 17152 1 20 . 1 1 117 117 ARG N N 117 130.500 130.500 126.757 3.743 17577 17153 1 20 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.277 -0.597 17577 17154 1 20 . 1 1 117 117 ARG C C 117 175.400 175.400 176.046 -0.646 17577 17155 1 20 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.555 1.745 17577 17156 1 20 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.606 1.894 17577 17157 1 20 . 1 1 117 117 ARG H H 117 8.350 8.350 8.178 0.172 17577 17158 1 20 . 1 1 118 118 SER N N 118 111.300 111.300 110.933 0.367 17577 17159 1 20 . 1 1 118 118 SER HA H 118 4.990 4.990 4.865 0.125 17577 17160 1 20 . 1 1 118 118 SER C C 118 173.400 173.400 171.764 1.636 17577 17161 1 20 . 1 1 118 118 SER CA C 118 54.800 54.800 55.062 -0.262 17577 17162 1 20 . 1 1 118 118 SER CB C 118 65.800 65.800 65.094 0.706 17577 17163 1 20 . 1 1 118 118 SER H H 118 7.980 7.980 7.446 0.534 17577 17164 1 20 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.743 0.227 17577 17165 1 20 . 1 1 119 119 PRO C C 119 175.500 175.500 176.522 -1.022 17577 17166 1 20 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.121 0.979 17577 17167 1 20 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.914 0.286 17577 17168 1 20 . 1 1 120 120 GLU N N 120 117.500 117.500 116.616 0.884 17577 17169 1 20 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.312 -0.052 17577 17170 1 20 . 1 1 120 120 GLU C C 120 174.500 174.500 175.968 -1.468 17577 17171 1 20 . 1 1 120 120 GLU CA C 120 55.800 55.800 56.038 -0.239 17577 17172 1 20 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.407 -0.707 17577 17173 1 20 . 1 1 120 120 GLU H H 120 7.410 7.410 7.489 -0.079 17577 17174 1 20 . 1 1 121 121 VAL N N 121 124.900 124.900 120.681 4.219 17577 17175 1 20 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.180 -0.040 17577 17176 1 20 . 1 1 121 121 VAL C C 121 174.400 174.400 175.899 -1.499 17577 17177 1 20 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.441 0.259 17577 17178 1 20 . 1 1 121 121 VAL CB C 121 34.100 34.100 33.337 0.763 17577 17179 1 20 . 1 1 121 121 VAL H H 121 7.900 7.900 8.279 -0.379 17577 17180 1 20 . 1 1 122 122 SER N N 122 124.500 124.500 124.945 -0.445 17577 17181 1 20 . 1 1 122 122 SER HA H 122 4.750 4.750 4.832 -0.082 17577 17182 1 20 . 1 1 122 122 SER CA C 122 57.300 57.300 56.045 1.255 17577 17183 1 20 . 1 1 122 122 SER CB C 122 64.500 64.500 63.368 1.132 17577 17184 1 20 . 1 1 122 122 SER H H 122 8.680 8.680 8.531 0.149 17577 17185 1 20 . 1 1 123 123 PRO C C 123 175.600 175.600 177.843 -2.243 17577 17186 1 20 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.325 0.575 17577 17187 1 20 . 1 1 124 124 ALA N N 124 120.100 120.100 121.660 -1.560 17577 17188 1 20 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.166 -0.096 17577 17189 1 20 . 1 1 124 124 ALA C C 124 179.900 179.900 179.502 0.398 17577 17190 1 20 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.436 1.364 17577 17191 1 20 . 1 1 124 124 ALA CB C 124 19.100 19.100 17.924 1.177 17577 17192 1 20 . 1 1 124 124 ALA H H 124 8.030 8.030 8.322 -0.292 17577 17193 1 20 . 1 1 125 125 ALA N N 125 121.100 121.100 121.345 -0.245 17577 17194 1 20 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.218 0.212 17577 17195 1 20 . 1 1 125 125 ALA C C 125 179.200 179.200 179.594 -0.394 17577 17196 1 20 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.656 0.944 17577 17197 1 20 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.355 0.845 17577 17198 1 20 . 1 1 125 125 ALA H H 125 7.510 7.510 8.157 -0.647 17577 17199 1 20 . 1 1 126 126 THR N N 126 113.200 113.200 114.321 -1.121 17577 17200 1 20 . 1 1 126 126 THR HA H 126 4.150 4.150 4.113 0.037 17577 17201 1 20 . 1 1 126 126 THR C C 126 176.100 176.100 176.250 -0.150 17577 17202 1 20 . 1 1 126 126 THR CA C 126 68.900 68.900 66.711 2.189 17577 17203 1 20 . 1 1 126 126 THR CB C 126 67.700 67.700 68.633 -0.933 17577 17204 1 20 . 1 1 126 126 THR H H 126 7.820 7.820 7.817 0.003 17577 17205 1 20 . 1 1 127 127 ALA N N 127 123.100 123.100 124.975 -1.875 17577 17206 1 20 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.197 -0.117 17577 17207 1 20 . 1 1 127 127 ALA C C 127 181.100 181.100 179.151 1.949 17577 17208 1 20 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.888 1.312 17577 17209 1 20 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.215 0.485 17577 17210 1 20 . 1 1 127 127 ALA H H 127 7.900 7.900 7.525 0.375 17577 17211 1 20 . 1 1 128 128 ILE N N 128 120.900 120.900 119.833 1.067 17577 17212 1 20 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.773 -0.033 17577 17213 1 20 . 1 1 128 128 ILE C C 128 177.300 177.300 177.166 0.134 17577 17214 1 20 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.622 1.978 17577 17215 1 20 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.744 2.656 17577 17216 1 20 . 1 1 128 128 ILE H H 128 7.640 7.640 8.370 -0.730 17577 17217 1 20 . 1 1 129 129 PHE N N 129 120.300 120.300 120.742 -0.442 17577 17218 1 20 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.146 -0.136 17577 17219 1 20 . 1 1 129 129 PHE C C 129 176.100 176.100 177.495 -1.395 17577 17220 1 20 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.606 1.694 17577 17221 1 20 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.754 2.146 17577 17222 1 20 . 1 1 129 129 PHE H H 129 8.250 8.250 7.655 0.595 17577 17223 1 20 . 1 1 130 130 ARG N N 130 116.300 116.300 119.992 -3.692 17577 17224 1 20 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.822 -0.262 17577 17225 1 20 . 1 1 130 130 ARG C C 130 179.400 179.400 178.617 0.783 17577 17226 1 20 . 1 1 130 130 ARG CA C 130 61.100 61.100 58.435 2.665 17577 17227 1 20 . 1 1 130 130 ARG CB C 130 30.600 30.600 29.637 0.963 17577 17228 1 20 . 1 1 130 130 ARG H H 130 8.650 8.650 7.957 0.693 17577 17229 1 20 . 1 1 131 131 LYS N N 131 122.200 122.200 120.628 1.572 17577 17230 1 20 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.948 0.082 17577 17231 1 20 . 1 1 131 131 LYS C C 131 179.300 179.300 179.031 0.269 17577 17232 1 20 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.875 0.625 17577 17233 1 20 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.177 1.023 17577 17234 1 20 . 1 1 131 131 LYS H H 131 8.020 8.020 8.352 -0.332 17577 17235 1 20 . 1 1 132 132 LEU N N 132 120.300 120.300 119.003 1.297 17577 17236 1 20 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.068 -0.138 17577 17237 1 20 . 1 1 132 132 LEU C C 132 179.600 179.600 179.106 0.494 17577 17238 1 20 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.753 0.847 17577 17239 1 20 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.223 1.277 17577 17240 1 20 . 1 1 132 132 LEU H H 132 8.450 8.450 7.999 0.451 17577 17241 1 20 . 1 1 133 133 ALA N N 133 122.400 122.400 120.780 1.620 17577 17242 1 20 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.695 0.275 17577 17243 1 20 . 1 1 133 133 ALA C C 133 180.400 180.400 179.695 0.705 17577 17244 1 20 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.915 1.085 17577 17245 1 20 . 1 1 133 133 ALA CB C 133 16.900 16.900 18.097 -1.197 17577 17246 1 20 . 1 1 133 133 ALA H H 133 8.750 8.750 8.043 0.707 17577 17247 1 20 . 1 1 134 134 GLY N N 134 107.400 107.400 106.577 0.823 17577 17248 1 20 . 1 1 134 134 GLY C C 134 178.200 178.200 176.723 1.477 17577 17249 1 20 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.604 1.496 17577 17250 1 20 . 1 1 134 134 GLY H H 134 8.130 8.130 8.573 -0.443 17577 17251 1 20 . 1 1 135 135 GLU N N 135 121.900 121.900 121.022 0.878 17577 17252 1 20 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.009 0.041 17577 17253 1 20 . 1 1 135 135 GLU C C 135 177.400 177.400 177.704 -0.304 17577 17254 1 20 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.496 0.804 17577 17255 1 20 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.716 0.684 17577 17256 1 20 . 1 1 135 135 GLU H H 135 7.730 7.730 7.723 0.007 17577 17257 1 20 . 1 1 136 136 ARG N N 136 118.000 118.000 117.453 0.547 17577 17258 1 20 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.237 -0.087 17577 17259 1 20 . 1 1 136 136 ARG C C 136 173.500 173.500 174.841 -1.341 17577 17260 1 20 . 1 1 136 136 ARG CA C 136 55.800 55.800 54.317 1.483 17577 17261 1 20 . 1 1 136 136 ARG CB C 136 28.900 28.900 28.949 -0.049 17577 17262 1 20 . 1 1 136 136 ARG H H 136 7.130 7.130 7.052 0.078 17577 17263 1 20 . 1 1 137 137 ASN N N 137 109.600 109.600 114.773 -5.173 17577 17264 1 20 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.324 -0.174 17577 17265 1 20 . 1 1 137 137 ASN C C 137 174.200 174.200 174.151 0.049 17577 17266 1 20 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.385 1.615 17577 17267 1 20 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.968 0.232 17577 17268 1 20 . 1 1 137 137 ASN H H 137 7.560 7.560 8.062 -0.502 17577 17269 1 20 . 1 1 138 138 TYR N N 138 118.600 118.600 117.922 0.678 17577 17270 1 20 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.658 0.632 17577 17271 1 20 . 1 1 138 138 TYR C C 138 175.900 175.900 176.445 -0.545 17577 17272 1 20 . 1 1 138 138 TYR CA C 138 57.700 57.700 55.164 2.536 17577 17273 1 20 . 1 1 138 138 TYR CB C 138 37.600 37.600 37.523 0.077 17577 17274 1 20 . 1 1 138 138 TYR H H 138 8.020 8.020 7.887 0.133 17577 17275 1 20 . 1 1 139 139 THR N N 139 115.000 115.000 115.552 -0.552 17577 17276 1 20 . 1 1 139 139 THR HA H 139 4.420 4.420 4.351 0.070 17577 17277 1 20 . 1 1 139 139 THR C C 139 175.500 175.500 175.951 -0.451 17577 17278 1 20 . 1 1 139 139 THR CA C 139 61.400 61.400 60.260 1.140 17577 17279 1 20 . 1 1 139 139 THR CB C 139 71.400 71.400 71.152 0.248 17577 17280 1 20 . 1 1 139 139 THR H H 139 7.740 7.740 7.862 -0.122 17577 17281 1 20 . 1 1 140 140 ASP N N 140 117.900 117.900 123.638 -5.738 17577 17282 1 20 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.229 0.031 17577 17283 1 20 . 1 1 140 140 ASP C C 140 178.400 178.400 178.390 0.010 17577 17284 1 20 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.521 1.479 17577 17285 1 20 . 1 1 140 140 ASP CB C 140 41.800 41.800 39.925 1.875 17577 17286 1 20 . 1 1 140 140 ASP H H 140 8.630 8.630 8.897 -0.267 17577 17287 1 20 . 1 1 141 141 GLU N N 141 116.800 116.800 118.576 -1.776 17577 17288 1 20 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.080 0.190 17577 17289 1 20 . 1 1 141 141 GLU C C 141 176.200 176.200 177.544 -1.344 17577 17290 1 20 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.130 0.970 17577 17291 1 20 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.116 0.984 17577 17292 1 20 . 1 1 141 141 GLU H H 141 8.500 8.500 8.069 0.431 17577 17293 1 20 . 1 1 142 142 MET N N 142 117.400 117.400 113.830 3.570 17577 17294 1 20 . 1 1 142 142 MET HA H 142 4.490 4.490 4.304 0.186 17577 17295 1 20 . 1 1 142 142 MET C C 142 172.900 172.900 175.783 -2.883 17577 17296 1 20 . 1 1 142 142 MET CA C 142 57.100 57.100 57.106 -0.006 17577 17297 1 20 . 1 1 142 142 MET CB C 142 33.400 33.400 33.496 -0.096 17577 17298 1 20 . 1 1 142 142 MET H H 142 7.960 7.960 7.862 0.098 17577 17299 1 20 . 1 1 143 143 VAL N N 143 116.800 116.800 119.270 -2.470 17577 17300 1 20 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.943 -0.153 17577 17301 1 20 . 1 1 143 143 VAL C C 143 175.600 175.600 174.205 1.395 17577 17302 1 20 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.613 2.587 17577 17303 1 20 . 1 1 143 143 VAL CB C 143 34.500 34.500 33.875 0.625 17577 17304 1 20 . 1 1 143 143 VAL H H 143 7.120 7.120 7.784 -0.664 17577 17305 1 20 . 1 1 144 144 ALA N N 144 131.000 131.000 132.450 -1.450 17577 17306 1 20 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.824 -0.014 17577 17307 1 20 . 1 1 144 144 ALA C C 144 175.800 175.800 176.376 -0.576 17577 17308 1 20 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.643 0.857 17577 17309 1 20 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.740 0.860 17577 17310 1 20 . 1 1 144 144 ALA H H 144 9.600 9.600 8.542 1.058 17577 17311 1 20 . 1 1 145 145 MET N N 145 122.400 122.400 122.712 -0.312 17577 17312 1 20 . 1 1 145 145 MET HA H 145 4.890 4.890 4.561 0.329 17577 17313 1 20 . 1 1 145 145 MET C C 145 176.900 176.900 176.022 0.878 17577 17314 1 20 . 1 1 145 145 MET CA C 145 54.000 54.000 54.272 -0.272 17577 17315 1 20 . 1 1 145 145 MET CB C 145 30.100 30.100 32.319 -2.219 17577 17316 1 20 . 1 1 145 145 MET H H 145 8.630 8.630 8.682 -0.052 17577 17317 1 20 . 1 1 146 146 LEU N N 146 125.400 125.400 126.062 -0.662 17577 17318 1 20 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.858 -0.318 17577 17319 1 20 . 1 1 146 146 LEU C C 146 174.500 174.500 174.691 -0.191 17577 17320 1 20 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.381 2.519 17577 17321 1 20 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.090 -1.290 17577 17322 1 20 . 1 1 146 146 LEU H H 146 7.880 7.880 8.418 -0.538 17577 17323 1 20 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.767 -0.187 17577 17324 1 20 . 1 1 147 147 PRO C C 147 176.200 176.200 177.304 -1.104 17577 17325 1 20 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.151 1.149 17577 17326 1 20 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.066 0.534 17577 17327 1 20 . 1 1 148 148 ARG N N 148 120.700 120.700 118.476 2.224 17577 17328 1 20 . 1 1 148 148 ARG HA H 148 4.270 4.270 3.944 0.326 17577 17329 1 20 . 1 1 148 148 ARG C C 148 175.500 175.500 175.939 -0.439 17577 17330 1 20 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.783 0.516 17577 17331 1 20 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.737 2.663 17577 17332 1 20 . 1 1 148 148 ARG H H 148 8.540 8.540 8.642 -0.102 17577 17333 1 20 . 1 1 149 149 GLN N N 149 115.000 115.000 120.048 -5.048 17577 17334 1 20 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.154 0.566 17577 17335 1 20 . 1 1 149 149 GLN C C 149 174.300 174.300 175.482 -1.182 17577 17336 1 20 . 1 1 149 149 GLN CA C 149 55.900 55.900 56.955 -1.055 17577 17337 1 20 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.915 0.785 17577 17338 1 20 . 1 1 149 149 GLN H H 149 7.770 7.770 8.100 -0.330 17577 17339 1 20 . 1 1 150 150 GLU N N 150 117.800 117.800 123.471 -5.671 17577 17340 1 20 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.551 -0.081 17577 17341 1 20 . 1 1 150 150 GLU C C 150 175.800 175.800 175.370 0.430 17577 17342 1 20 . 1 1 150 150 GLU CA C 150 56.300 56.300 54.981 1.319 17577 17343 1 20 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.098 1.302 17577 17344 1 20 . 1 1 150 150 GLU H H 150 8.570 8.570 8.491 0.079 17577 17345 1 20 . 1 1 151 151 GLU N N 151 119.200 119.200 121.914 -2.714 17577 17346 1 20 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.495 -0.235 17577 17347 1 20 . 1 1 151 151 GLU C C 151 176.000 176.000 175.509 0.491 17577 17348 1 20 . 1 1 151 151 GLU CA C 151 59.500 59.500 57.096 2.405 17577 17349 1 20 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.507 1.693 17577 17350 1 20 . 1 1 151 151 GLU H H 151 8.000 8.000 9.028 -1.028 17577 17351 1 20 . 1 1 152 152 CYS N N 152 122.100 122.100 118.869 3.231 17577 17352 1 20 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.983 0.157 17577 17353 1 20 . 1 1 152 152 CYS C C 152 172.800 172.800 173.290 -0.490 17577 17354 1 20 . 1 1 152 152 CYS CA C 152 54.000 54.000 57.806 -3.807 17577 17355 1 20 . 1 1 152 152 CYS CB C 152 34.900 34.900 30.583 4.317 17577 17356 1 20 . 1 1 152 152 CYS H H 152 9.620 9.620 8.035 1.585 17577 17357 1 20 . 1 1 153 153 THR N N 153 118.000 118.000 114.075 3.925 17577 17358 1 20 . 1 1 153 153 THR HA H 153 4.860 4.860 4.600 0.260 17577 17359 1 20 . 1 1 153 153 THR C C 153 173.000 173.000 173.786 -0.786 17577 17360 1 20 . 1 1 153 153 THR CA C 153 59.800 59.800 61.453 -1.653 17577 17361 1 20 . 1 1 153 153 THR CB C 153 72.500 72.500 70.081 2.419 17577 17362 1 20 . 1 1 153 153 THR H H 153 8.490 8.490 8.149 0.341 17577 17363 1 20 . 1 1 154 154 VAL N N 154 114.900 114.900 117.580 -2.680 17577 17364 1 20 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.346 -0.226 17577 17365 1 20 . 1 1 154 154 VAL C C 154 175.500 175.500 175.430 0.070 17577 17366 1 20 . 1 1 154 154 VAL CA C 154 62.000 62.000 62.062 -0.062 17577 17367 1 20 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.694 0.406 17577 17368 1 20 . 1 1 154 154 VAL H H 154 6.920 6.920 8.109 -1.189 17577 17369 1 20 . 1 1 155 155 ASP N N 155 124.100 124.100 122.647 1.453 17577 17370 1 20 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.576 -0.086 17577 17371 1 20 . 1 1 155 155 ASP C C 155 175.800 175.800 175.451 0.349 17577 17372 1 20 . 1 1 155 155 ASP CA C 155 55.700 55.700 54.374 1.326 17577 17373 1 20 . 1 1 155 155 ASP CB C 155 42.300 42.300 41.564 0.736 17577 17374 1 20 . 1 1 155 155 ASP H H 155 8.390 8.390 8.433 -0.043 17577 17375 1 20 . 1 1 156 156 GLU N N 156 121.000 121.000 120.166 0.834 17577 17376 1 20 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.577 -0.407 17577 17377 1 20 . 1 1 156 156 GLU C C 156 175.400 175.400 176.110 -0.710 17577 17378 1 20 . 1 1 156 156 GLU CA C 156 57.500 57.500 55.659 1.841 17577 17379 1 20 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.797 1.603 17577 17380 1 20 . 1 1 156 156 GLU H H 156 8.450 8.450 8.556 -0.106 17577 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 145 3.734 -0.030 3.747 17577 2 1 1 "Average Difference" HA 147 0.426 -0.124 0.409 17577 3 1 1 "Average Difference" C 143 1.090 0.069 1.092 17577 4 1 1 "Average Difference" CA 151 1.565 -1.054 1.161 17577 5 1 1 "Average Difference" CB 144 1.847 -1.146 1.454 17577 6 1 1 "Average Difference" HN 145 0.760 -0.222 0.730 17577 7 1 2 "Average Difference" N 145 3.667 -0.020 3.679 17577 8 1 2 "Average Difference" HA 147 0.374 -0.078 0.367 17577 9 1 2 "Average Difference" C 143 1.123 0.020 1.127 17577 10 1 2 "Average Difference" CA 151 1.519 -1.060 1.092 17577 11 1 2 "Average Difference" CB 144 1.722 -1.045 1.374 17577 12 1 2 "Average Difference" HN 145 0.719 -0.183 0.698 17577 13 1 3 "Average Difference" N 145 3.583 -0.064 3.595 17577 14 1 3 "Average Difference" HA 147 0.370 -0.080 0.363 17577 15 1 3 "Average Difference" C 143 1.121 0.010 1.125 17577 16 1 3 "Average Difference" CA 151 1.526 -1.062 1.099 17577 17 1 3 "Average Difference" CB 144 1.716 -1.083 1.337 17577 18 1 3 "Average Difference" HN 145 0.709 -0.187 0.686 17577 19 1 4 "Average Difference" N 145 3.642 0.011 3.655 17577 20 1 4 "Average Difference" HA 147 0.382 -0.100 0.370 17577 21 1 4 "Average Difference" C 143 1.134 0.042 1.137 17577 22 1 4 "Average Difference" CA 151 1.516 -1.030 1.116 17577 23 1 4 "Average Difference" CB 144 1.738 -1.084 1.364 17577 24 1 4 "Average Difference" HN 145 0.716 -0.187 0.694 17577 25 1 5 "Average Difference" N 145 3.597 -0.049 3.609 17577 26 1 5 "Average Difference" HA 147 0.375 -0.100 0.363 17577 27 1 5 "Average Difference" C 143 1.136 0.033 1.140 17577 28 1 5 "Average Difference" CA 151 1.516 -1.064 1.083 17577 29 1 5 "Average Difference" CB 144 1.712 -1.065 1.345 17577 30 1 5 "Average Difference" HN 145 0.716 -0.175 0.696 17577 31 1 6 "Average Difference" N 145 3.609 0.059 3.621 17577 32 1 6 "Average Difference" HA 147 0.387 -0.104 0.374 17577 33 1 6 "Average Difference" C 143 1.142 0.066 1.144 17577 34 1 6 "Average Difference" CA 151 1.505 -1.010 1.119 17577 35 1 6 "Average Difference" CB 144 1.753 -1.108 1.363 17577 36 1 6 "Average Difference" HN 145 0.711 -0.194 0.687 17577 37 1 7 "Average Difference" N 145 3.527 0.112 3.537 17577 38 1 7 "Average Difference" HA 147 0.385 -0.111 0.370 17577 39 1 7 "Average Difference" C 143 1.123 0.056 1.125 17577 40 1 7 "Average Difference" CA 151 1.537 -1.059 1.118 17577 41 1 7 "Average Difference" CB 144 1.725 -1.085 1.346 17577 42 1 7 "Average Difference" HN 145 0.707 -0.189 0.683 17577 43 1 8 "Average Difference" N 145 3.572 -0.018 3.584 17577 44 1 8 "Average Difference" HA 147 0.379 -0.107 0.364 17577 45 1 8 "Average Difference" C 143 1.127 0.044 1.130 17577 46 1 8 "Average Difference" CA 151 1.562 -1.112 1.101 17577 47 1 8 "Average Difference" CB 144 1.754 -1.081 1.385 17577 48 1 8 "Average Difference" HN 145 0.681 -0.189 0.657 17577 49 1 9 "Average Difference" N 145 3.571 -0.048 3.583 17577 50 1 9 "Average Difference" HA 147 0.386 -0.111 0.371 17577 51 1 9 "Average Difference" C 143 1.115 0.049 1.118 17577 52 1 9 "Average Difference" CA 151 1.541 -1.072 1.111 17577 53 1 9 "Average Difference" CB 144 1.736 -1.079 1.364 17577 54 1 9 "Average Difference" HN 145 0.697 -0.192 0.672 17577 55 1 10 "Average Difference" N 145 3.548 -0.019 3.560 17577 56 1 10 "Average Difference" HA 147 0.377 -0.111 0.362 17577 57 1 10 "Average Difference" C 143 1.115 0.034 1.118 17577 58 1 10 "Average Difference" CA 151 1.559 -1.100 1.108 17577 59 1 10 "Average Difference" CB 144 1.742 -1.061 1.387 17577 60 1 10 "Average Difference" HN 145 0.696 -0.184 0.674 17577 61 1 11 "Average Difference" N 145 3.890 -0.097 3.902 17577 62 1 11 "Average Difference" HA 147 0.387 -0.130 0.366 17577 63 1 11 "Average Difference" C 143 1.023 0.039 1.026 17577 64 1 11 "Average Difference" CA 151 1.529 -1.052 1.113 17577 65 1 11 "Average Difference" CB 144 1.763 -1.082 1.398 17577 66 1 11 "Average Difference" HN 145 0.691 -0.200 0.663 17577 67 1 12 "Average Difference" N 145 3.767 -0.004 3.780 17577 68 1 12 "Average Difference" HA 147 0.382 -0.122 0.363 17577 69 1 12 "Average Difference" C 143 1.051 0.064 1.053 17577 70 1 12 "Average Difference" CA 151 1.536 -1.017 1.155 17577 71 1 12 "Average Difference" CB 144 1.741 -1.054 1.391 17577 72 1 12 "Average Difference" HN 145 0.691 -0.159 0.675 17577 73 1 13 "Average Difference" N 145 3.676 -0.068 3.688 17577 74 1 13 "Average Difference" HA 147 0.370 -0.118 0.351 17577 75 1 13 "Average Difference" C 143 1.045 0.124 1.042 17577 76 1 13 "Average Difference" CA 151 1.531 -1.058 1.111 17577 77 1 13 "Average Difference" CB 144 1.793 -1.095 1.425 17577 78 1 13 "Average Difference" HN 145 0.697 -0.164 0.680 17577 79 1 14 "Average Difference" N 145 3.667 -0.097 3.678 17577 80 1 14 "Average Difference" HA 147 0.372 -0.117 0.354 17577 81 1 14 "Average Difference" C 143 1.017 0.067 1.018 17577 82 1 14 "Average Difference" CA 151 1.539 -1.070 1.110 17577 83 1 14 "Average Difference" CB 144 1.772 -1.077 1.413 17577 84 1 14 "Average Difference" HN 145 0.685 -0.185 0.662 17577 85 1 15 "Average Difference" N 145 3.694 -0.011 3.706 17577 86 1 15 "Average Difference" HA 147 0.440 -0.137 0.420 17577 87 1 15 "Average Difference" C 143 1.086 0.022 1.090 17577 88 1 15 "Average Difference" CA 151 1.570 -1.027 1.191 17577 89 1 15 "Average Difference" CB 144 1.888 -1.170 1.487 17577 90 1 15 "Average Difference" HN 145 0.755 -0.237 0.719 17577 91 1 16 "Average Difference" N 145 3.937 -0.029 3.950 17577 92 1 16 "Average Difference" HA 147 0.432 -0.127 0.414 17577 93 1 16 "Average Difference" C 143 1.076 0.058 1.078 17577 94 1 16 "Average Difference" CA 151 1.597 -1.054 1.204 17577 95 1 16 "Average Difference" CB 144 1.867 -1.196 1.438 17577 96 1 16 "Average Difference" HN 145 0.758 -0.236 0.722 17577 97 1 17 "Average Difference" N 145 3.938 -0.012 3.952 17577 98 1 17 "Average Difference" HA 147 0.437 -0.123 0.421 17577 99 1 17 "Average Difference" C 143 1.064 0.013 1.067 17577 100 1 17 "Average Difference" CA 151 1.574 -1.045 1.181 17577 101 1 17 "Average Difference" CB 144 1.872 -1.154 1.480 17577 102 1 17 "Average Difference" HN 145 0.767 -0.225 0.735 17577 103 1 18 "Average Difference" N 145 3.675 0.003 3.688 17577 104 1 18 "Average Difference" HA 147 0.443 -0.132 0.425 17577 105 1 18 "Average Difference" C 143 1.028 0.039 1.031 17577 106 1 18 "Average Difference" CA 151 1.552 -1.026 1.168 17577 107 1 18 "Average Difference" CB 144 1.847 -1.151 1.450 17577 108 1 18 "Average Difference" HN 145 0.763 -0.236 0.728 17577 109 1 19 "Average Difference" N 145 3.710 -0.036 3.723 17577 110 1 19 "Average Difference" HA 147 0.431 -0.136 0.410 17577 111 1 19 "Average Difference" C 143 1.047 0.029 1.051 17577 112 1 19 "Average Difference" CA 151 1.566 -1.051 1.166 17577 113 1 19 "Average Difference" CB 144 1.852 -1.137 1.467 17577 114 1 19 "Average Difference" HN 145 0.749 -0.205 0.723 17577 115 1 20 "Average Difference" N 145 3.743 -0.035 3.755 17577 116 1 20 "Average Difference" HA 147 0.430 -0.136 0.410 17577 117 1 20 "Average Difference" C 143 1.051 0.035 1.054 17577 118 1 20 "Average Difference" CA 151 1.542 -1.037 1.144 17577 119 1 20 "Average Difference" CB 144 1.835 -1.170 1.418 17577 120 1 20 "Average Difference" HN 145 0.741 -0.175 0.723 17577 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 17577 _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 4 4 PRO C C 4 175.800 175.800 176.182 -0.382 17577 2 1 . 1 1 4 4 PRO CA C 4 64.300 64.300 63.614 0.686 17577 3 1 . 1 1 4 4 PRO CB C 4 33.000 33.000 32.249 0.751 17577 4 1 . 1 1 5 5 ASP N N 5 119.400 119.400 120.480 -1.080 17577 5 1 . 1 1 5 5 ASP HA H 5 4.510 4.510 4.509 0.001 17577 6 1 . 1 1 5 5 ASP C C 5 177.100 177.100 177.537 -0.437 17577 7 1 . 1 1 5 5 ASP CA C 5 54.800 54.800 55.248 -0.448 17577 8 1 . 1 1 5 5 ASP CB C 5 42.400 42.400 40.777 1.623 17577 9 1 . 1 1 5 5 ASP H H 5 8.090 8.090 8.468 -0.378 17577 10 1 . 1 1 6 6 ARG N N 6 124.800 124.800 122.519 2.281 17577 11 1 . 1 1 6 6 ARG C C 6 177.300 177.300 177.766 -0.466 17577 12 1 . 1 1 6 6 ARG CA C 6 59.000 59.000 58.968 0.032 17577 13 1 . 1 1 6 6 ARG CB C 6 30.500 30.500 29.845 0.654 17577 14 1 . 1 1 6 6 ARG H H 6 8.590 8.590 8.345 0.245 17577 15 1 . 1 1 7 7 SER N N 7 113.800 113.800 114.183 -0.383 17577 16 1 . 1 1 7 7 SER CA C 7 62.400 62.400 61.231 1.169 17577 17 1 . 1 1 7 7 SER CB C 7 63.800 63.800 62.614 1.186 17577 18 1 . 1 1 7 7 SER H H 7 8.240 8.240 8.332 -0.092 17577 19 1 . 1 1 8 8 GLU N N 8 120.200 120.200 120.128 0.072 17577 20 1 . 1 1 8 8 GLU HA H 8 4.330 4.330 4.082 0.248 17577 21 1 . 1 1 8 8 GLU C C 8 177.100 177.100 178.084 -0.984 17577 22 1 . 1 1 8 8 GLU CA C 8 58.700 58.700 58.630 0.070 17577 23 1 . 1 1 8 8 GLU CB C 8 30.900 30.900 29.598 1.302 17577 24 1 . 1 1 8 8 GLU H H 8 8.030 8.030 7.723 0.307 17577 25 1 . 1 1 9 9 ILE N N 9 112.800 112.800 118.164 -5.364 17577 26 1 . 1 1 9 9 ILE HA H 9 4.350 4.350 3.799 0.551 17577 27 1 . 1 1 9 9 ILE C C 9 175.000 175.000 175.159 -0.159 17577 28 1 . 1 1 9 9 ILE CA C 9 63.400 63.400 61.530 1.870 17577 29 1 . 1 1 9 9 ILE CB C 9 40.000 40.000 37.822 2.178 17577 30 1 . 1 1 9 9 ILE H H 9 7.530 7.530 7.286 0.244 17577 31 1 . 1 1 10 10 ALA N N 10 120.400 120.400 121.918 -1.518 17577 32 1 . 1 1 10 10 ALA HA H 10 4.070 4.070 4.566 -0.496 17577 33 1 . 1 1 10 10 ALA C C 10 177.500 177.500 177.269 0.231 17577 34 1 . 1 1 10 10 ALA CA C 10 54.000 54.000 53.925 0.075 17577 35 1 . 1 1 10 10 ALA CB C 10 20.400 20.400 19.110 1.291 17577 36 1 . 1 1 10 10 ALA H H 10 7.410 7.410 8.197 -0.787 17577 37 1 . 1 1 11 11 GLY N N 11 108.300 108.300 110.603 -2.303 17577 38 1 . 1 1 11 11 GLY C C 11 173.700 173.700 173.615 0.085 17577 39 1 . 1 1 11 11 GLY CA C 11 45.300 45.300 45.000 0.300 17577 40 1 . 1 1 11 11 GLY H H 11 8.780 8.780 8.520 0.260 17577 41 1 . 1 1 12 12 LYS N N 12 122.300 122.300 121.390 0.910 17577 42 1 . 1 1 12 12 LYS HA H 12 4.830 4.830 4.944 -0.114 17577 43 1 . 1 1 12 12 LYS C C 12 175.900 175.900 174.593 1.307 17577 44 1 . 1 1 12 12 LYS CA C 12 58.300 58.300 56.325 1.975 17577 45 1 . 1 1 12 12 LYS CB C 12 35.000 35.000 34.748 0.252 17577 46 1 . 1 1 12 12 LYS H H 12 8.740 8.740 7.754 0.986 17577 47 1 . 1 1 13 13 TRP N N 13 126.000 126.000 126.528 -0.528 17577 48 1 . 1 1 13 13 TRP HA H 13 4.630 4.630 5.067 -0.437 17577 49 1 . 1 1 13 13 TRP C C 13 173.300 173.300 174.669 -1.369 17577 50 1 . 1 1 13 13 TRP CA C 13 57.700 57.700 56.154 1.546 17577 51 1 . 1 1 13 13 TRP CB C 13 35.400 35.400 31.594 3.806 17577 52 1 . 1 1 13 13 TRP H H 13 9.440 9.440 9.718 -0.278 17577 53 1 . 1 1 14 14 TYR N N 14 118.300 118.300 123.325 -5.025 17577 54 1 . 1 1 14 14 TYR HA H 14 5.050 5.050 4.917 0.133 17577 55 1 . 1 1 14 14 TYR C C 14 175.400 175.400 174.915 0.485 17577 56 1 . 1 1 14 14 TYR CA C 14 58.800 58.800 57.386 1.414 17577 57 1 . 1 1 14 14 TYR CB C 14 41.500 41.500 40.476 1.024 17577 58 1 . 1 1 14 14 TYR H H 14 9.370 9.370 8.907 0.463 17577 59 1 . 1 1 15 15 VAL N N 15 124.200 124.200 125.205 -1.005 17577 60 1 . 1 1 15 15 VAL HA H 15 4.040 4.040 3.933 0.107 17577 61 1 . 1 1 15 15 VAL C C 15 175.500 175.500 175.383 0.117 17577 62 1 . 1 1 15 15 VAL CA C 15 62.700 62.700 62.110 0.591 17577 63 1 . 1 1 15 15 VAL CB C 15 32.400 32.400 32.299 0.101 17577 64 1 . 1 1 15 15 VAL H H 15 9.000 9.000 8.787 0.214 17577 65 1 . 1 1 16 16 VAL N N 16 114.600 114.600 121.112 -6.512 17577 66 1 . 1 1 16 16 VAL HA H 16 4.650 4.650 4.519 0.131 17577 67 1 . 1 1 16 16 VAL C C 16 175.900 175.900 173.927 1.973 17577 68 1 . 1 1 16 16 VAL CA C 16 62.200 62.200 60.925 1.274 17577 69 1 . 1 1 16 16 VAL CB C 16 33.600 33.600 33.151 0.449 17577 70 1 . 1 1 16 16 VAL H H 16 8.420 8.420 8.684 -0.264 17577 71 1 . 1 1 17 17 ALA N N 17 122.900 122.900 121.093 1.807 17577 72 1 . 1 1 17 17 ALA HA H 17 5.270 5.270 5.053 0.216 17577 73 1 . 1 1 17 17 ALA C C 17 174.200 174.200 174.729 -0.529 17577 74 1 . 1 1 17 17 ALA CA C 17 53.100 53.100 51.781 1.319 17577 75 1 . 1 1 17 17 ALA CB C 17 24.100 24.100 21.385 2.715 17577 76 1 . 1 1 17 17 ALA H H 17 7.590 7.590 7.370 0.220 17577 77 1 . 1 1 18 18 LEU N N 18 118.000 118.000 120.645 -2.645 17577 78 1 . 1 1 18 18 LEU HA H 18 5.440 5.440 5.454 -0.014 17577 79 1 . 1 1 18 18 LEU C C 18 176.100 176.100 174.439 1.661 17577 80 1 . 1 1 18 18 LEU CA C 18 54.000 54.000 53.485 0.515 17577 81 1 . 1 1 18 18 LEU CB C 18 49.800 49.800 46.283 3.517 17577 82 1 . 1 1 18 18 LEU H H 18 8.570 8.570 8.091 0.479 17577 83 1 . 1 1 19 19 ALA N N 19 120.300 120.300 122.691 -2.391 17577 84 1 . 1 1 19 19 ALA HA H 19 5.430 5.430 5.599 -0.169 17577 85 1 . 1 1 19 19 ALA C C 19 174.400 174.400 175.976 -1.576 17577 86 1 . 1 1 19 19 ALA CA C 19 52.700 52.700 50.739 1.961 17577 87 1 . 1 1 19 19 ALA CB C 19 23.100 23.100 22.579 0.521 17577 88 1 . 1 1 19 19 ALA H H 19 8.360 8.360 8.906 -0.546 17577 89 1 . 1 1 20 20 SER N N 20 114.200 114.200 114.838 -0.638 17577 90 1 . 1 1 20 20 SER HA H 20 3.890 3.890 4.781 -0.891 17577 91 1 . 1 1 20 20 SER C C 20 170.700 170.700 172.751 -2.051 17577 92 1 . 1 1 20 20 SER CA C 20 57.200 57.200 57.597 -0.397 17577 93 1 . 1 1 20 20 SER CB C 20 64.200 64.200 65.155 -0.955 17577 94 1 . 1 1 20 20 SER H H 20 7.450 7.450 8.499 -1.049 17577 95 1 . 1 1 21 21 ASN N N 21 117.500 117.500 117.262 0.238 17577 96 1 . 1 1 21 21 ASN HA H 21 5.220 5.220 4.854 0.366 17577 97 1 . 1 1 21 21 ASN C C 21 176.500 176.500 174.964 1.536 17577 98 1 . 1 1 21 21 ASN CA C 21 52.500 52.500 53.169 -0.669 17577 99 1 . 1 1 21 21 ASN CB C 21 40.300 40.300 40.342 -0.042 17577 100 1 . 1 1 21 21 ASN H H 21 7.980 7.980 8.528 -0.548 17577 101 1 . 1 1 22 22 THR N N 22 112.100 112.100 117.502 -5.402 17577 102 1 . 1 1 22 22 THR HA H 22 4.420 4.420 4.062 0.358 17577 103 1 . 1 1 22 22 THR C C 22 174.800 174.800 174.817 -0.017 17577 104 1 . 1 1 22 22 THR CA C 22 63.200 63.200 61.623 1.577 17577 105 1 . 1 1 22 22 THR CB C 22 71.800 71.800 68.896 2.904 17577 106 1 . 1 1 22 22 THR H H 22 8.140 8.140 7.635 0.505 17577 107 1 . 1 1 23 23 GLU N N 23 122.700 122.700 129.150 -6.450 17577 108 1 . 1 1 23 23 GLU HA H 23 4.750 4.750 3.820 0.930 17577 109 1 . 1 1 23 23 GLU C C 23 178.800 178.800 177.866 0.934 17577 110 1 . 1 1 23 23 GLU CA C 23 61.300 61.300 59.450 1.850 17577 111 1 . 1 1 23 23 GLU CB C 23 30.300 30.300 29.260 1.040 17577 112 1 . 1 1 23 23 GLU H H 23 8.980 8.980 8.513 0.467 17577 113 1 . 1 1 24 24 PHE N N 24 118.200 118.200 118.192 0.008 17577 114 1 . 1 1 24 24 PHE HA H 24 3.980 3.980 4.177 -0.197 17577 115 1 . 1 1 24 24 PHE C C 24 175.900 175.900 177.668 -1.768 17577 116 1 . 1 1 24 24 PHE CA C 24 62.900 62.900 60.176 2.724 17577 117 1 . 1 1 24 24 PHE CB C 24 40.700 40.700 37.695 3.005 17577 118 1 . 1 1 24 24 PHE H H 24 8.610 8.610 6.826 1.784 17577 119 1 . 1 1 25 25 PHE N N 25 119.000 119.000 118.510 0.490 17577 120 1 . 1 1 25 25 PHE HA H 25 3.840 3.840 4.263 -0.423 17577 121 1 . 1 1 25 25 PHE C C 25 176.500 176.500 177.644 -1.144 17577 122 1 . 1 1 25 25 PHE CA C 25 62.800 62.800 59.962 2.838 17577 123 1 . 1 1 25 25 PHE CB C 25 40.400 40.400 38.651 1.749 17577 124 1 . 1 1 25 25 PHE H H 25 7.730 7.730 7.774 -0.044 17577 125 1 . 1 1 26 26 LEU N N 26 115.900 115.900 119.383 -3.483 17577 126 1 . 1 1 26 26 LEU HA H 26 3.730 3.730 4.093 -0.363 17577 127 1 . 1 1 26 26 LEU C C 26 179.200 179.200 178.670 0.530 17577 128 1 . 1 1 26 26 LEU CA C 26 58.700 58.700 58.179 0.521 17577 129 1 . 1 1 26 26 LEU CB C 26 42.000 42.000 41.327 0.673 17577 130 1 . 1 1 26 26 LEU H H 26 8.380 8.380 8.081 0.299 17577 131 1 . 1 1 27 27 ARG N N 27 116.900 116.900 119.426 -2.526 17577 132 1 . 1 1 27 27 ARG HA H 27 4.110 4.110 3.989 0.121 17577 133 1 . 1 1 27 27 ARG C C 27 178.400 178.400 177.977 0.423 17577 134 1 . 1 1 27 27 ARG CA C 27 59.200 59.200 59.181 0.019 17577 135 1 . 1 1 27 27 ARG CB C 27 32.100 32.100 30.157 1.943 17577 136 1 . 1 1 27 27 ARG H H 27 7.720 7.720 8.235 -0.515 17577 137 1 . 1 1 28 28 GLU N N 28 116.000 116.000 117.604 -1.604 17577 138 1 . 1 1 28 28 GLU HA H 28 4.360 4.360 4.246 0.114 17577 139 1 . 1 1 28 28 GLU C C 28 178.200 178.200 178.915 -0.715 17577 140 1 . 1 1 28 28 GLU CA C 28 56.700 56.700 58.578 -1.878 17577 141 1 . 1 1 28 28 GLU CB C 28 30.900 30.900 29.999 0.901 17577 142 1 . 1 1 28 28 GLU H H 28 7.660 7.660 7.774 -0.114 17577 143 1 . 1 1 29 29 LYS N N 29 120.700 120.700 120.079 0.621 17577 144 1 . 1 1 29 29 LYS HA H 29 4.140 4.140 4.114 0.026 17577 145 1 . 1 1 29 29 LYS C C 29 177.900 177.900 178.423 -0.523 17577 146 1 . 1 1 29 29 LYS CA C 29 59.900 59.900 58.863 1.038 17577 147 1 . 1 1 29 29 LYS CB C 29 31.400 31.400 32.199 -0.799 17577 148 1 . 1 1 29 29 LYS H H 29 7.910 7.910 8.649 -0.739 17577 149 1 . 1 1 30 30 ASP N N 30 118.800 118.800 116.992 1.808 17577 150 1 . 1 1 30 30 ASP HA H 30 4.390 4.390 4.494 -0.104 17577 151 1 . 1 1 30 30 ASP C C 30 177.000 177.000 177.258 -0.258 17577 152 1 . 1 1 30 30 ASP CA C 30 57.200 57.200 56.246 0.954 17577 153 1 . 1 1 30 30 ASP CB C 30 40.600 40.600 40.801 -0.201 17577 154 1 . 1 1 30 30 ASP H H 30 8.390 8.390 7.878 0.512 17577 155 1 . 1 1 31 31 LYS N N 31 118.000 118.000 117.001 0.999 17577 156 1 . 1 1 31 31 LYS HA H 31 4.390 4.390 4.363 0.027 17577 157 1 . 1 1 31 31 LYS C C 31 177.200 177.200 176.829 0.371 17577 158 1 . 1 1 31 31 LYS CA C 31 57.000 57.000 56.644 0.356 17577 159 1 . 1 1 31 31 LYS CB C 31 34.200 34.200 33.049 1.151 17577 160 1 . 1 1 31 31 LYS H H 31 8.110 8.110 8.104 0.006 17577 161 1 . 1 1 32 32 MET N N 32 120.300 120.300 117.668 2.632 17577 162 1 . 1 1 32 32 MET HA H 32 4.520 4.520 4.546 -0.026 17577 163 1 . 1 1 32 32 MET C C 32 176.200 176.200 175.343 0.857 17577 164 1 . 1 1 32 32 MET CA C 32 58.000 58.000 55.890 2.110 17577 165 1 . 1 1 32 32 MET CB C 32 33.500 33.500 33.904 -0.404 17577 166 1 . 1 1 32 32 MET H H 32 7.240 7.240 7.444 -0.204 17577 167 1 . 1 1 33 33 LYS N N 33 120.200 120.200 117.277 2.923 17577 168 1 . 1 1 33 33 LYS HA H 33 4.700 4.700 4.558 0.142 17577 169 1 . 1 1 33 33 LYS C C 33 173.000 173.000 176.159 -3.159 17577 170 1 . 1 1 33 33 LYS CA C 33 56.100 56.100 54.564 1.536 17577 171 1 . 1 1 33 33 LYS CB C 33 39.100 39.100 34.704 4.396 17577 172 1 . 1 1 33 33 LYS H H 33 8.560 8.560 8.099 0.461 17577 173 1 . 1 1 34 34 MET N N 34 118.300 118.300 120.072 -1.772 17577 174 1 . 1 1 34 34 MET HA H 34 4.080 4.080 4.227 -0.147 17577 175 1 . 1 1 34 34 MET C C 34 173.800 173.800 175.171 -1.371 17577 176 1 . 1 1 34 34 MET CA C 34 59.500 59.500 56.821 2.679 17577 177 1 . 1 1 34 34 MET CB C 34 35.700 35.700 33.270 2.430 17577 178 1 . 1 1 34 34 MET H H 34 8.370 8.370 8.055 0.315 17577 179 1 . 1 1 35 35 ALA N N 35 126.000 126.000 126.533 -0.533 17577 180 1 . 1 1 35 35 ALA HA H 35 5.260 5.260 5.037 0.223 17577 181 1 . 1 1 35 35 ALA C C 35 176.100 176.100 175.934 0.166 17577 182 1 . 1 1 35 35 ALA CA C 35 50.600 50.600 50.177 0.423 17577 183 1 . 1 1 35 35 ALA CB C 35 23.800 23.800 22.394 1.406 17577 184 1 . 1 1 35 35 ALA H H 35 7.360 7.360 8.469 -1.109 17577 185 1 . 1 1 36 36 MET N N 36 117.100 117.100 114.906 2.194 17577 186 1 . 1 1 36 36 MET HA H 36 5.280 5.280 5.481 -0.201 17577 187 1 . 1 1 36 36 MET C C 36 172.600 172.600 174.615 -2.015 17577 188 1 . 1 1 36 36 MET CA C 36 56.100 56.100 52.529 3.571 17577 189 1 . 1 1 36 36 MET CB C 36 39.600 39.600 36.394 3.206 17577 190 1 . 1 1 36 36 MET H H 36 8.920 8.920 8.888 0.032 17577 191 1 . 1 1 37 37 ALA N N 37 121.700 121.700 120.661 1.039 17577 192 1 . 1 1 37 37 ALA HA H 37 5.430 5.430 4.888 0.542 17577 193 1 . 1 1 37 37 ALA C C 37 175.400 175.400 174.819 0.581 17577 194 1 . 1 1 37 37 ALA CA C 37 51.200 51.200 51.783 -0.582 17577 195 1 . 1 1 37 37 ALA CB C 37 24.400 24.400 22.819 1.581 17577 196 1 . 1 1 37 37 ALA H H 37 8.980 8.980 9.149 -0.169 17577 197 1 . 1 1 38 38 ARG N N 38 120.400 120.400 119.924 0.476 17577 198 1 . 1 1 38 38 ARG HA H 38 5.150 5.150 4.855 0.295 17577 199 1 . 1 1 38 38 ARG C C 38 174.900 174.900 173.811 1.089 17577 200 1 . 1 1 38 38 ARG CA C 38 55.200 55.200 55.095 0.105 17577 201 1 . 1 1 38 38 ARG CB C 38 34.600 34.600 33.576 1.023 17577 202 1 . 1 1 38 38 ARG H H 38 9.180 9.180 7.965 1.215 17577 203 1 . 1 1 39 39 ILE N N 39 126.000 126.000 124.473 1.527 17577 204 1 . 1 1 39 39 ILE HA H 39 4.920 4.920 4.868 0.052 17577 205 1 . 1 1 39 39 ILE C C 39 175.100 175.100 174.300 0.800 17577 206 1 . 1 1 39 39 ILE CA C 39 60.200 60.200 58.908 1.292 17577 207 1 . 1 1 39 39 ILE CB C 39 41.400 41.400 40.831 0.569 17577 208 1 . 1 1 39 39 ILE H H 39 8.930 8.930 8.501 0.429 17577 209 1 . 1 1 40 40 SER N N 40 121.700 121.700 121.183 0.517 17577 210 1 . 1 1 40 40 SER HA H 40 4.630 4.630 4.703 -0.073 17577 211 1 . 1 1 40 40 SER CA C 40 57.900 57.900 56.818 1.082 17577 212 1 . 1 1 40 40 SER CB C 40 66.300 66.300 66.097 0.203 17577 213 1 . 1 1 40 40 SER H H 40 8.780 8.780 8.355 0.425 17577 214 1 . 1 1 41 41 PHE N N 41 122.300 122.300 122.791 -0.491 17577 215 1 . 1 1 41 41 PHE HA H 41 4.650 4.650 4.677 -0.027 17577 216 1 . 1 1 41 41 PHE C C 41 175.900 175.900 175.949 -0.049 17577 217 1 . 1 1 41 41 PHE CA C 41 60.100 60.100 57.628 2.472 17577 218 1 . 1 1 41 41 PHE CB C 41 40.700 40.700 38.165 2.535 17577 219 1 . 1 1 41 41 PHE H H 41 9.080 9.080 8.910 0.170 17577 220 1 . 1 1 42 42 LEU N N 42 125.100 125.100 124.618 0.482 17577 221 1 . 1 1 42 42 LEU HA H 42 4.630 4.630 4.174 0.456 17577 222 1 . 1 1 42 42 LEU C C 42 176.400 176.400 177.551 -1.151 17577 223 1 . 1 1 42 42 LEU CA C 42 55.500 55.500 56.022 -0.522 17577 224 1 . 1 1 42 42 LEU CB C 42 43.800 43.800 42.505 1.295 17577 225 1 . 1 1 42 42 LEU H H 42 8.540 8.540 7.998 0.542 17577 226 1 . 1 1 43 43 GLY N N 43 108.700 108.700 103.331 5.369 17577 227 1 . 1 1 43 43 GLY C C 43 173.700 173.700 174.016 -0.316 17577 228 1 . 1 1 43 43 GLY CA C 43 45.900 45.900 44.982 0.918 17577 229 1 . 1 1 43 43 GLY H H 43 8.310 8.310 7.880 0.430 17577 230 1 . 1 1 44 44 GLU N N 44 120.300 120.300 120.626 -0.327 17577 231 1 . 1 1 44 44 GLU HA H 44 4.110 4.110 4.052 0.058 17577 232 1 . 1 1 44 44 GLU C C 44 177.200 177.200 176.455 0.745 17577 233 1 . 1 1 44 44 GLU CA C 44 59.600 59.600 59.015 0.585 17577 234 1 . 1 1 44 44 GLU CB C 44 30.800 30.800 29.693 1.107 17577 235 1 . 1 1 44 44 GLU H H 44 8.900 8.900 8.838 0.062 17577 236 1 . 1 1 45 45 ASP N N 45 115.200 115.200 114.407 0.793 17577 237 1 . 1 1 45 45 ASP HA H 45 4.870 4.870 4.867 0.003 17577 238 1 . 1 1 45 45 ASP C C 45 174.500 174.500 175.606 -1.106 17577 239 1 . 1 1 45 45 ASP CA C 45 54.800 54.800 53.624 1.176 17577 240 1 . 1 1 45 45 ASP CB C 45 42.700 42.700 40.542 2.158 17577 241 1 . 1 1 45 45 ASP H H 45 8.500 8.500 8.231 0.269 17577 242 1 . 1 1 46 46 GLU N N 46 117.800 117.800 119.166 -1.366 17577 243 1 . 1 1 46 46 GLU HA H 46 5.570 5.570 4.856 0.714 17577 244 1 . 1 1 46 46 GLU C C 46 174.800 174.800 174.085 0.715 17577 245 1 . 1 1 46 46 GLU CA C 46 56.300 56.300 56.067 0.233 17577 246 1 . 1 1 46 46 GLU CB C 46 35.000 35.000 33.100 1.900 17577 247 1 . 1 1 46 46 GLU H H 46 7.450 7.450 8.284 -0.834 17577 248 1 . 1 1 47 47 LEU N N 47 124.200 124.200 122.843 1.357 17577 249 1 . 1 1 47 47 LEU HA H 47 4.880 4.880 5.080 -0.200 17577 250 1 . 1 1 47 47 LEU C C 47 173.900 173.900 174.647 -0.747 17577 251 1 . 1 1 47 47 LEU CA C 47 55.300 55.300 52.997 2.304 17577 252 1 . 1 1 47 47 LEU CB C 47 46.100 46.100 45.901 0.199 17577 253 1 . 1 1 47 47 LEU H H 47 9.160 9.160 9.040 0.120 17577 254 1 . 1 1 48 48 LYS N N 48 123.800 123.800 122.606 1.194 17577 255 1 . 1 1 48 48 LYS HA H 48 4.950 4.950 4.556 0.394 17577 256 1 . 1 1 48 48 LYS C C 48 174.300 174.300 174.403 -0.103 17577 257 1 . 1 1 48 48 LYS CA C 48 56.000 56.000 55.432 0.568 17577 258 1 . 1 1 48 48 LYS CB C 48 35.800 35.800 34.538 1.262 17577 259 1 . 1 1 48 48 LYS H H 48 9.020 9.020 8.494 0.526 17577 260 1 . 1 1 49 49 VAL N N 49 126.600 126.600 126.357 0.243 17577 261 1 . 1 1 49 49 VAL HA H 49 4.610 4.610 4.799 -0.189 17577 262 1 . 1 1 49 49 VAL C C 49 173.800 173.800 173.844 -0.044 17577 263 1 . 1 1 49 49 VAL CA C 49 61.300 61.300 59.694 1.606 17577 264 1 . 1 1 49 49 VAL CB C 49 35.300 35.300 35.609 -0.309 17577 265 1 . 1 1 49 49 VAL H H 49 8.920 8.920 8.548 0.372 17577 266 1 . 1 1 50 50 SER N N 50 120.900 120.900 120.321 0.579 17577 267 1 . 1 1 50 50 SER HA H 50 4.860 4.860 4.509 0.351 17577 268 1 . 1 1 50 50 SER CA C 50 57.300 57.300 56.227 1.074 17577 269 1 . 1 1 50 50 SER CB C 50 65.100 65.100 65.194 -0.094 17577 270 1 . 1 1 50 50 SER H H 50 8.360 8.360 8.452 -0.092 17577 271 1 . 1 1 51 51 TYR N N 51 122.000 122.000 122.770 -0.770 17577 272 1 . 1 1 51 51 TYR HA H 51 4.850 4.850 4.876 -0.026 17577 273 1 . 1 1 51 51 TYR C C 51 176.800 176.800 173.911 2.889 17577 274 1 . 1 1 51 51 TYR CA C 51 58.200 58.200 56.268 1.932 17577 275 1 . 1 1 51 51 TYR CB C 51 42.600 42.600 40.989 1.611 17577 276 1 . 1 1 51 51 TYR H H 51 8.990 8.990 8.094 0.896 17577 277 1 . 1 1 52 52 ALA N N 52 124.000 124.000 125.571 -1.571 17577 278 1 . 1 1 52 52 ALA HA H 52 4.870 4.870 4.877 -0.007 17577 279 1 . 1 1 52 52 ALA C C 52 174.800 174.800 175.136 -0.336 17577 280 1 . 1 1 52 52 ALA CA C 52 53.000 53.000 50.806 2.194 17577 281 1 . 1 1 52 52 ALA CB C 52 21.800 21.800 21.315 0.485 17577 282 1 . 1 1 52 52 ALA H H 52 8.640 8.640 9.361 -0.721 17577 283 1 . 1 1 53 53 VAL N N 53 124.300 124.300 124.630 -0.330 17577 284 1 . 1 1 53 53 VAL HA H 53 4.770 4.770 4.609 0.161 17577 285 1 . 1 1 53 53 VAL C C 53 174.200 174.200 173.837 0.363 17577 286 1 . 1 1 53 53 VAL CA C 53 59.300 59.300 58.658 0.642 17577 287 1 . 1 1 53 53 VAL CB C 53 36.500 36.500 34.807 1.693 17577 288 1 . 1 1 53 53 VAL H H 53 9.120 9.120 8.171 0.949 17577 289 1 . 1 1 54 54 PRO HA H 54 4.700 4.700 4.589 0.112 17577 290 1 . 1 1 54 54 PRO CA C 54 64.700 64.700 62.074 2.626 17577 291 1 . 1 1 54 54 PRO CB C 54 32.900 32.900 32.023 0.877 17577 292 1 . 1 1 55 55 LYS N N 55 121.100 121.100 122.200 -1.100 17577 293 1 . 1 1 55 55 LYS HA H 55 4.930 4.930 4.684 0.246 17577 294 1 . 1 1 55 55 LYS CA C 55 54.600 54.600 53.986 0.614 17577 295 1 . 1 1 55 55 LYS CB C 55 33.400 33.400 33.682 -0.282 17577 296 1 . 1 1 55 55 LYS H H 55 8.040 8.040 8.067 -0.027 17577 297 1 . 1 1 56 56 PRO HA H 56 4.280 4.280 4.291 -0.011 17577 298 1 . 1 1 56 56 PRO C C 56 177.200 177.200 176.816 0.384 17577 299 1 . 1 1 56 56 PRO CA C 56 66.400 66.400 64.919 1.481 17577 300 1 . 1 1 56 56 PRO CB C 56 32.300 32.300 31.873 0.427 17577 301 1 . 1 1 57 57 ASN N N 57 114.200 114.200 115.066 -0.866 17577 302 1 . 1 1 57 57 ASN HA H 57 4.720 4.720 4.727 -0.007 17577 303 1 . 1 1 57 57 ASN C C 57 174.900 174.900 175.069 -0.169 17577 304 1 . 1 1 57 57 ASN CA C 57 54.000 54.000 52.960 1.040 17577 305 1 . 1 1 57 57 ASN CB C 57 39.300 39.300 38.948 0.352 17577 306 1 . 1 1 57 57 ASN H H 57 8.370 8.370 8.183 0.187 17577 307 1 . 1 1 58 58 GLY N N 58 106.500 106.500 107.183 -0.682 17577 308 1 . 1 1 58 58 GLY C C 58 172.000 172.000 172.707 -0.707 17577 309 1 . 1 1 58 58 GLY CA C 58 47.000 47.000 44.838 2.162 17577 310 1 . 1 1 58 58 GLY H H 58 7.810 7.810 8.014 -0.204 17577 311 1 . 1 1 60 60 ARG N N 60 132.300 132.300 126.067 6.232 17577 312 1 . 1 1 60 60 ARG HA H 60 4.580 4.580 4.687 -0.107 17577 313 1 . 1 1 60 60 ARG C C 60 174.000 174.000 174.186 -0.186 17577 314 1 . 1 1 60 60 ARG CA C 60 56.500 56.500 55.463 1.037 17577 315 1 . 1 1 60 60 ARG CB C 60 32.400 32.400 32.423 -0.023 17577 316 1 . 1 1 60 60 ARG H H 60 9.120 9.120 8.428 0.692 17577 317 1 . 1 1 61 61 LYS N N 61 126.200 126.200 126.015 0.185 17577 318 1 . 1 1 61 61 LYS HA H 61 5.520 5.520 5.084 0.436 17577 319 1 . 1 1 61 61 LYS C C 61 175.900 175.900 175.092 0.808 17577 320 1 . 1 1 61 61 LYS CA C 61 56.100 56.100 55.151 0.949 17577 321 1 . 1 1 61 61 LYS CB C 61 36.100 36.100 35.200 0.900 17577 322 1 . 1 1 61 61 LYS H H 61 8.500 8.500 8.477 0.023 17577 323 1 . 1 1 62 62 TRP N N 62 121.900 121.900 125.280 -3.380 17577 324 1 . 1 1 62 62 TRP HA H 62 4.860 4.860 4.961 -0.101 17577 325 1 . 1 1 62 62 TRP C C 62 171.900 171.900 173.631 -1.731 17577 326 1 . 1 1 62 62 TRP CA C 62 57.700 57.700 56.282 1.418 17577 327 1 . 1 1 62 62 TRP CB C 62 31.300 31.300 30.662 0.638 17577 328 1 . 1 1 62 62 TRP H H 62 8.070 8.070 8.729 -0.659 17577 329 1 . 1 1 63 63 GLU N N 63 117.100 117.100 119.694 -2.594 17577 330 1 . 1 1 63 63 GLU HA H 63 5.610 5.610 4.264 1.346 17577 331 1 . 1 1 63 63 GLU C C 63 175.500 175.500 174.576 0.924 17577 332 1 . 1 1 63 63 GLU CA C 63 55.200 55.200 54.493 0.707 17577 333 1 . 1 1 63 63 GLU CB C 63 35.100 35.100 32.498 2.602 17577 334 1 . 1 1 63 63 GLU H H 63 8.450 8.450 8.089 0.361 17577 335 1 . 1 1 64 64 THR N N 64 117.400 117.400 117.278 0.122 17577 336 1 . 1 1 64 64 THR HA H 64 4.600 4.600 4.282 0.318 17577 337 1 . 1 1 64 64 THR C C 64 171.800 171.800 172.755 -0.955 17577 338 1 . 1 1 64 64 THR CA C 64 63.000 63.000 61.293 1.707 17577 339 1 . 1 1 64 64 THR CB C 64 72.700 72.700 72.283 0.417 17577 340 1 . 1 1 64 64 THR H H 64 8.980 8.980 8.283 0.697 17577 341 1 . 1 1 65 65 THR N N 65 119.100 119.100 120.080 -0.980 17577 342 1 . 1 1 65 65 THR HA H 65 5.260 5.260 4.617 0.643 17577 343 1 . 1 1 65 65 THR C C 65 173.700 173.700 173.035 0.665 17577 344 1 . 1 1 65 65 THR CA C 65 62.300 62.300 62.252 0.048 17577 345 1 . 1 1 65 65 THR CB C 65 71.100 71.100 70.077 1.023 17577 346 1 . 1 1 65 65 THR H H 65 8.380 8.380 8.527 -0.147 17577 347 1 . 1 1 66 66 PHE N N 66 123.400 123.400 125.509 -2.109 17577 348 1 . 1 1 66 66 PHE HA H 66 4.830 4.830 4.753 0.077 17577 349 1 . 1 1 66 66 PHE C C 66 174.200 174.200 173.878 0.322 17577 350 1 . 1 1 66 66 PHE CA C 66 58.100 58.100 55.854 2.246 17577 351 1 . 1 1 66 66 PHE CB C 66 45.600 45.600 41.367 4.233 17577 352 1 . 1 1 66 66 PHE H H 66 9.590 9.590 9.231 0.359 17577 353 1 . 1 1 67 67 LYS N N 67 119.700 119.700 122.889 -3.189 17577 354 1 . 1 1 67 67 LYS HA H 67 5.520 5.520 4.846 0.674 17577 355 1 . 1 1 67 67 LYS C C 67 176.500 176.500 175.904 0.596 17577 356 1 . 1 1 67 67 LYS CA C 67 55.500 55.500 54.410 1.089 17577 357 1 . 1 1 67 67 LYS CB C 67 37.300 37.300 36.145 1.155 17577 358 1 . 1 1 67 67 LYS H H 67 8.880 8.880 8.647 0.233 17577 359 1 . 1 1 68 68 LYS N N 68 129.100 129.100 123.218 5.882 17577 360 1 . 1 1 68 68 LYS HA H 68 4.880 4.880 4.309 0.571 17577 361 1 . 1 1 68 68 LYS C C 68 177.400 177.400 176.096 1.304 17577 362 1 . 1 1 68 68 LYS CA C 68 58.700 58.700 57.408 1.292 17577 363 1 . 1 1 68 68 LYS CB C 68 35.300 35.300 32.355 2.945 17577 364 1 . 1 1 68 68 LYS H H 68 8.850 8.850 8.549 0.301 17577 365 1 . 1 1 69 69 THR N N 69 118.500 118.500 117.220 1.280 17577 366 1 . 1 1 69 69 THR HA H 69 4.710 4.710 4.749 -0.039 17577 367 1 . 1 1 69 69 THR C C 69 174.600 174.600 174.364 0.236 17577 368 1 . 1 1 69 69 THR CA C 69 61.900 61.900 60.481 1.419 17577 369 1 . 1 1 69 69 THR CB C 69 70.800 70.800 69.838 0.962 17577 370 1 . 1 1 69 69 THR H H 69 8.720 8.720 8.378 0.342 17577 371 1 . 1 1 70 70 SER N N 70 111.800 111.800 118.382 -6.582 17577 372 1 . 1 1 70 70 SER HA H 70 4.420 4.420 4.703 -0.283 17577 373 1 . 1 1 70 70 SER C C 70 174.500 174.500 175.016 -0.516 17577 374 1 . 1 1 70 70 SER CA C 70 59.300 59.300 58.053 1.247 17577 375 1 . 1 1 70 70 SER CB C 70 64.400 64.400 63.467 0.933 17577 376 1 . 1 1 70 70 SER H H 70 8.350 8.350 8.442 -0.092 17577 377 1 . 1 1 71 71 ASP N N 71 121.100 121.100 123.369 -2.269 17577 378 1 . 1 1 71 71 ASP HA H 71 4.380 4.380 4.350 0.030 17577 379 1 . 1 1 71 71 ASP C C 71 175.600 175.600 176.184 -0.584 17577 380 1 . 1 1 71 71 ASP CA C 71 56.100 56.100 56.686 -0.586 17577 381 1 . 1 1 71 71 ASP CB C 71 43.000 43.000 41.155 1.845 17577 382 1 . 1 1 71 71 ASP H H 71 7.960 7.960 8.125 -0.165 17577 383 1 . 1 1 72 72 ASP N N 72 121.000 121.000 118.640 2.360 17577 384 1 . 1 1 72 72 ASP HA H 72 4.450 4.450 4.645 -0.195 17577 385 1 . 1 1 72 72 ASP C C 72 175.900 175.900 176.076 -0.175 17577 386 1 . 1 1 72 72 ASP CA C 72 56.100 56.100 54.052 2.048 17577 387 1 . 1 1 72 72 ASP CB C 72 42.100 42.100 40.165 1.935 17577 388 1 . 1 1 72 72 ASP H H 72 8.500 8.500 8.092 0.408 17577 389 1 . 1 1 73 73 GLY N N 73 109.100 109.100 113.172 -4.072 17577 390 1 . 1 1 73 73 GLY C C 73 172.800 172.800 174.155 -1.355 17577 391 1 . 1 1 73 73 GLY CA C 73 45.500 45.500 45.750 -0.250 17577 392 1 . 1 1 73 73 GLY H H 73 8.200 8.200 8.144 0.056 17577 393 1 . 1 1 74 74 GLU N N 74 123.300 123.300 125.481 -2.181 17577 394 1 . 1 1 74 74 GLU HA H 74 4.770 4.770 4.657 0.113 17577 395 1 . 1 1 74 74 GLU C C 74 173.600 173.600 174.507 -0.907 17577 396 1 . 1 1 74 74 GLU CA C 74 55.400 55.400 55.575 -0.175 17577 397 1 . 1 1 74 74 GLU CB C 74 30.600 30.600 30.350 0.250 17577 398 1 . 1 1 74 74 GLU H H 74 8.780 8.780 8.224 0.556 17577 399 1 . 1 1 75 75 VAL N N 75 123.500 123.500 121.633 1.867 17577 400 1 . 1 1 75 75 VAL HA H 75 5.040 5.040 4.220 0.820 17577 401 1 . 1 1 75 75 VAL C C 75 174.100 174.100 173.933 0.167 17577 402 1 . 1 1 75 75 VAL CA C 75 62.500 62.500 60.620 1.880 17577 403 1 . 1 1 75 75 VAL CB C 75 34.000 34.000 35.709 -1.709 17577 404 1 . 1 1 75 75 VAL H H 75 7.870 7.870 7.921 -0.051 17577 405 1 . 1 1 76 76 TYR N N 76 125.000 125.000 122.820 2.180 17577 406 1 . 1 1 76 76 TYR HA H 76 5.240 5.240 4.994 0.246 17577 407 1 . 1 1 76 76 TYR C C 76 174.300 174.300 174.332 -0.032 17577 408 1 . 1 1 76 76 TYR CA C 76 57.800 57.800 55.764 2.036 17577 409 1 . 1 1 76 76 TYR CB C 76 43.700 43.700 40.862 2.838 17577 410 1 . 1 1 76 76 TYR H H 76 9.360 9.360 8.253 1.107 17577 411 1 . 1 1 77 77 TYR N N 77 120.500 120.500 122.133 -1.633 17577 412 1 . 1 1 77 77 TYR HA H 77 5.880 5.880 4.949 0.931 17577 413 1 . 1 1 77 77 TYR C C 77 174.600 174.600 173.733 0.867 17577 414 1 . 1 1 77 77 TYR CA C 77 58.000 58.000 56.594 1.406 17577 415 1 . 1 1 77 77 TYR CB C 77 44.600 44.600 42.030 2.570 17577 416 1 . 1 1 77 77 TYR H H 77 9.480 9.480 8.862 0.619 17577 417 1 . 1 1 78 78 SER N N 78 125.100 125.100 120.465 4.635 17577 418 1 . 1 1 78 78 SER HA H 78 4.830 4.830 4.622 0.208 17577 419 1 . 1 1 78 78 SER C C 78 174.300 174.300 174.473 -0.173 17577 420 1 . 1 1 78 78 SER CA C 78 55.600 55.600 56.064 -0.464 17577 421 1 . 1 1 78 78 SER CB C 78 64.400 64.400 63.412 0.988 17577 422 1 . 1 1 78 78 SER H H 78 8.570 8.570 8.218 0.352 17577 423 1 . 1 1 79 79 GLU N N 79 130.000 130.000 127.608 2.392 17577 424 1 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.008 -0.029 17577 425 1 . 1 1 79 79 GLU C C 79 178.600 178.600 177.552 1.048 17577 426 1 . 1 1 79 79 GLU CA C 79 60.100 60.100 59.704 0.396 17577 427 1 . 1 1 79 79 GLU CB C 79 30.500 30.500 29.588 0.912 17577 428 1 . 1 1 79 79 GLU H H 79 8.670 8.670 8.714 -0.044 17577 429 1 . 1 1 80 80 GLU N N 80 118.900 118.900 118.030 0.870 17577 430 1 . 1 1 80 80 GLU HA H 80 4.000 4.000 4.161 -0.161 17577 431 1 . 1 1 80 80 GLU C C 80 177.700 177.700 177.144 0.556 17577 432 1 . 1 1 80 80 GLU CA C 80 60.000 60.000 58.431 1.569 17577 433 1 . 1 1 80 80 GLU CB C 80 30.500 30.500 29.304 1.196 17577 434 1 . 1 1 80 80 GLU H H 80 8.560 8.560 8.573 -0.013 17577 435 1 . 1 1 81 81 ALA N N 81 117.600 117.600 119.987 -2.387 17577 436 1 . 1 1 81 81 ALA HA H 81 4.390 4.390 4.460 -0.070 17577 437 1 . 1 1 81 81 ALA C C 81 176.000 176.000 176.773 -0.773 17577 438 1 . 1 1 81 81 ALA CA C 81 52.400 52.400 51.270 1.130 17577 439 1 . 1 1 81 81 ALA CB C 81 20.600 20.600 19.240 1.360 17577 440 1 . 1 1 81 81 ALA H H 81 7.410 7.410 7.544 -0.134 17577 441 1 . 1 1 82 82 LYS N N 82 118.300 118.300 116.824 1.476 17577 442 1 . 1 1 82 82 LYS HA H 82 3.870 3.870 3.890 -0.020 17577 443 1 . 1 1 82 82 LYS C C 82 175.100 175.100 174.527 0.573 17577 444 1 . 1 1 82 82 LYS CA C 82 57.200 57.200 57.261 -0.061 17577 445 1 . 1 1 82 82 LYS CB C 82 30.300 30.300 29.624 0.676 17577 446 1 . 1 1 82 82 LYS H H 82 7.830 7.830 7.876 -0.046 17577 447 1 . 1 1 83 83 LYS N N 83 118.400 118.400 119.151 -0.751 17577 448 1 . 1 1 83 83 LYS HA H 83 5.440 5.440 4.972 0.468 17577 449 1 . 1 1 83 83 LYS C C 83 172.400 172.400 174.240 -1.840 17577 450 1 . 1 1 83 83 LYS CA C 83 55.500 55.500 55.257 0.243 17577 451 1 . 1 1 83 83 LYS CB C 83 40.100 40.100 37.078 3.022 17577 452 1 . 1 1 83 83 LYS H H 83 7.150 7.150 7.356 -0.206 17577 453 1 . 1 1 84 84 LYS N N 84 130.000 130.000 126.128 3.872 17577 454 1 . 1 1 84 84 LYS HA H 84 5.680 5.680 4.851 0.829 17577 455 1 . 1 1 84 84 LYS C C 84 174.900 174.900 174.181 0.719 17577 456 1 . 1 1 84 84 LYS CA C 84 55.700 55.700 54.465 1.235 17577 457 1 . 1 1 84 84 LYS CB C 84 38.000 38.000 36.453 1.548 17577 458 1 . 1 1 84 84 LYS H H 84 9.540 9.540 8.777 0.763 17577 459 1 . 1 1 85 85 VAL N N 85 121.100 121.100 119.879 1.221 17577 460 1 . 1 1 85 85 VAL HA H 85 4.980 4.980 5.156 -0.176 17577 461 1 . 1 1 85 85 VAL C C 85 173.000 173.000 174.168 -1.168 17577 462 1 . 1 1 85 85 VAL CA C 85 61.400 61.400 59.630 1.770 17577 463 1 . 1 1 85 85 VAL CB C 85 36.700 36.700 35.142 1.558 17577 464 1 . 1 1 85 85 VAL H H 85 9.510 9.510 8.279 1.231 17577 465 1 . 1 1 86 86 GLU N N 86 123.700 123.700 126.876 -3.176 17577 466 1 . 1 1 86 86 GLU HA H 86 5.320 5.320 4.753 0.567 17577 467 1 . 1 1 86 86 GLU C C 86 175.800 175.800 174.860 0.940 17577 468 1 . 1 1 86 86 GLU CA C 86 54.700 54.700 53.923 0.777 17577 469 1 . 1 1 86 86 GLU CB C 86 34.200 34.200 33.291 0.909 17577 470 1 . 1 1 86 86 GLU H H 86 8.830 8.830 8.580 0.250 17577 471 1 . 1 1 87 87 VAL N N 87 125.400 125.400 126.891 -1.491 17577 472 1 . 1 1 87 87 VAL HA H 87 4.170 4.170 4.086 0.084 17577 473 1 . 1 1 87 87 VAL C C 87 176.000 176.000 174.827 1.173 17577 474 1 . 1 1 87 87 VAL CA C 87 63.500 63.500 63.605 -0.105 17577 475 1 . 1 1 87 87 VAL CB C 87 32.000 32.000 31.777 0.223 17577 476 1 . 1 1 87 87 VAL H H 87 8.760 8.760 8.846 -0.086 17577 477 1 . 1 1 88 88 LEU N N 88 128.000 128.000 129.480 -1.480 17577 478 1 . 1 1 88 88 LEU HA H 88 4.390 4.390 4.540 -0.150 17577 479 1 . 1 1 88 88 LEU C C 88 177.200 177.200 176.867 0.333 17577 480 1 . 1 1 88 88 LEU CA C 88 57.000 57.000 55.414 1.586 17577 481 1 . 1 1 88 88 LEU CB C 88 44.200 44.200 42.527 1.673 17577 482 1 . 1 1 88 88 LEU H H 88 8.990 8.990 8.468 0.522 17577 483 1 . 1 1 89 89 ASP N N 89 113.900 113.900 117.258 -3.358 17577 484 1 . 1 1 89 89 ASP HA H 89 4.780 4.780 4.800 -0.020 17577 485 1 . 1 1 89 89 ASP C C 89 173.900 173.900 174.052 -0.152 17577 486 1 . 1 1 89 89 ASP CA C 89 55.900 55.900 54.490 1.410 17577 487 1 . 1 1 89 89 ASP CB C 89 46.600 46.600 44.123 2.477 17577 488 1 . 1 1 89 89 ASP H H 89 7.140 7.140 7.936 -0.796 17577 489 1 . 1 1 90 90 THR N N 90 119.500 119.500 119.013 0.487 17577 490 1 . 1 1 90 90 THR HA H 90 3.800 3.800 4.475 -0.675 17577 491 1 . 1 1 90 90 THR C C 90 169.800 169.800 172.861 -3.061 17577 492 1 . 1 1 90 90 THR CA C 90 61.500 61.500 61.796 -0.296 17577 493 1 . 1 1 90 90 THR CB C 90 69.200 69.200 70.501 -1.301 17577 494 1 . 1 1 90 90 THR H H 90 8.070 8.070 8.319 -0.249 17577 495 1 . 1 1 91 91 ASP N N 91 122.400 122.400 127.680 -5.280 17577 496 1 . 1 1 91 91 ASP HA H 91 4.850 4.850 4.494 0.356 17577 497 1 . 1 1 91 91 ASP C C 91 176.800 176.800 176.229 0.571 17577 498 1 . 1 1 91 91 ASP CA C 91 53.900 53.900 53.862 0.038 17577 499 1 . 1 1 91 91 ASP CB C 91 41.900 41.900 41.606 0.294 17577 500 1 . 1 1 91 91 ASP H H 91 6.790 6.790 8.529 -1.739 17577 501 1 . 1 1 92 92 TYR N N 92 115.100 115.100 115.159 -0.059 17577 502 1 . 1 1 92 92 TYR HA H 92 3.510 3.510 3.921 -0.411 17577 503 1 . 1 1 92 92 TYR C C 92 173.900 173.900 174.859 -0.959 17577 504 1 . 1 1 92 92 TYR CA C 92 62.300 62.300 59.132 3.168 17577 505 1 . 1 1 92 92 TYR CB C 92 36.600 36.600 36.118 0.482 17577 506 1 . 1 1 92 92 TYR H H 92 9.420 9.420 8.021 1.399 17577 507 1 . 1 1 93 93 LYS N N 93 112.300 112.300 116.629 -4.329 17577 508 1 . 1 1 93 93 LYS HA H 93 4.670 4.670 4.225 0.446 17577 509 1 . 1 1 93 93 LYS C C 93 175.600 175.600 175.900 -0.300 17577 510 1 . 1 1 93 93 LYS CA C 93 59.500 59.500 57.298 2.202 17577 511 1 . 1 1 93 93 LYS CB C 93 37.800 37.800 33.516 4.284 17577 512 1 . 1 1 93 93 LYS H H 93 8.080 8.080 8.235 -0.155 17577 513 1 . 1 1 94 94 SER N N 94 120.300 120.300 110.900 9.400 17577 514 1 . 1 1 94 94 SER HA H 94 4.820 4.820 4.524 0.296 17577 515 1 . 1 1 94 94 SER CA C 94 61.200 61.200 58.949 2.251 17577 516 1 . 1 1 94 94 SER CB C 94 68.800 68.800 65.357 3.443 17577 517 1 . 1 1 94 94 SER H H 94 11.420 11.420 7.777 3.643 17577 518 1 . 1 1 95 95 TYR N N 95 122.700 122.700 115.731 6.969 17577 519 1 . 1 1 95 95 TYR HA H 95 6.150 6.150 5.229 0.921 17577 520 1 . 1 1 95 95 TYR C C 95 173.500 173.500 173.200 0.300 17577 521 1 . 1 1 95 95 TYR CA C 95 58.600 58.600 56.516 2.084 17577 522 1 . 1 1 95 95 TYR CB C 95 42.600 42.600 40.549 2.051 17577 523 1 . 1 1 95 95 TYR H H 95 8.490 8.490 7.116 1.374 17577 524 1 . 1 1 96 96 ALA N N 96 120.900 120.900 120.776 0.124 17577 525 1 . 1 1 96 96 ALA HA H 96 4.550 4.550 4.882 -0.333 17577 526 1 . 1 1 96 96 ALA C C 96 174.700 174.700 174.969 -0.269 17577 527 1 . 1 1 96 96 ALA CA C 96 53.500 53.500 51.739 1.762 17577 528 1 . 1 1 96 96 ALA CB C 96 23.700 23.700 22.498 1.202 17577 529 1 . 1 1 96 96 ALA H H 96 9.010 9.010 8.477 0.533 17577 530 1 . 1 1 97 97 VAL N N 97 121.700 121.700 122.818 -1.118 17577 531 1 . 1 1 97 97 VAL HA H 97 5.020 5.020 5.283 -0.263 17577 532 1 . 1 1 97 97 VAL C C 97 174.300 174.300 174.646 -0.346 17577 533 1 . 1 1 97 97 VAL CA C 97 63.200 63.200 60.870 2.330 17577 534 1 . 1 1 97 97 VAL CB C 97 33.600 33.600 33.544 0.056 17577 535 1 . 1 1 97 97 VAL H H 97 9.310 9.310 8.943 0.367 17577 536 1 . 1 1 98 98 ILE N N 98 129.600 129.600 125.151 4.449 17577 537 1 . 1 1 98 98 ILE HA H 98 5.050 5.050 4.716 0.334 17577 538 1 . 1 1 98 98 ILE C C 98 174.000 174.000 173.880 0.120 17577 539 1 . 1 1 98 98 ILE CA C 98 59.200 59.200 59.552 -0.352 17577 540 1 . 1 1 98 98 ILE CB C 98 42.700 42.700 42.465 0.235 17577 541 1 . 1 1 98 98 ILE H H 98 9.550 9.550 8.272 1.278 17577 542 1 . 1 1 99 99 TYR N N 99 128.100 128.100 127.755 0.345 17577 543 1 . 1 1 99 99 TYR HA H 99 5.260 5.260 4.832 0.428 17577 544 1 . 1 1 99 99 TYR C C 99 173.700 173.700 173.871 -0.171 17577 545 1 . 1 1 99 99 TYR CA C 99 57.700 57.700 57.040 0.660 17577 546 1 . 1 1 99 99 TYR CB C 99 42.200 42.200 39.635 2.565 17577 547 1 . 1 1 99 99 TYR H H 99 9.550 9.550 8.464 1.086 17577 548 1 . 1 1 100 100 ALA N N 100 134.400 134.400 131.373 3.027 17577 549 1 . 1 1 100 100 ALA HA H 100 5.720 5.720 5.295 0.425 17577 550 1 . 1 1 100 100 ALA C C 100 175.500 175.500 175.575 -0.075 17577 551 1 . 1 1 100 100 ALA CA C 100 51.400 51.400 49.925 1.475 17577 552 1 . 1 1 100 100 ALA CB C 100 24.900 24.900 21.787 3.113 17577 553 1 . 1 1 100 100 ALA H H 100 9.610 9.610 8.648 0.962 17577 554 1 . 1 1 101 101 THR N N 101 116.200 116.200 117.007 -0.807 17577 555 1 . 1 1 101 101 THR HA H 101 5.450 5.450 4.778 0.672 17577 556 1 . 1 1 101 101 THR C C 101 173.600 173.600 172.788 0.812 17577 557 1 . 1 1 101 101 THR CA C 101 62.000 62.000 61.198 0.802 17577 558 1 . 1 1 101 101 THR CB C 101 73.100 73.100 71.274 1.826 17577 559 1 . 1 1 101 101 THR H H 101 9.430 9.430 8.624 0.806 17577 560 1 . 1 1 102 102 ARG N N 102 125.700 125.700 128.625 -2.925 17577 561 1 . 1 1 102 102 ARG HA H 102 5.210 5.210 5.027 0.183 17577 562 1 . 1 1 102 102 ARG C C 102 173.900 173.900 173.716 0.184 17577 563 1 . 1 1 102 102 ARG CA C 102 55.500 55.500 54.725 0.775 17577 564 1 . 1 1 102 102 ARG CB C 102 36.100 36.100 33.596 2.504 17577 565 1 . 1 1 102 102 ARG H H 102 8.970 8.970 8.201 0.769 17577 566 1 . 1 1 103 103 VAL N N 103 122.100 122.100 126.081 -3.981 17577 567 1 . 1 1 103 103 VAL HA H 103 4.770 4.770 4.558 0.212 17577 568 1 . 1 1 103 103 VAL C C 103 175.700 175.700 174.273 1.427 17577 569 1 . 1 1 103 103 VAL CA C 103 62.400 62.400 60.666 1.734 17577 570 1 . 1 1 103 103 VAL CB C 103 33.400 33.400 33.969 -0.569 17577 571 1 . 1 1 103 103 VAL H H 103 7.870 7.870 8.081 -0.211 17577 572 1 . 1 1 104 104 LYS N N 104 130.100 130.100 128.000 2.099 17577 573 1 . 1 1 104 104 LYS HA H 104 4.460 4.460 4.564 -0.104 17577 574 1 . 1 1 104 104 LYS C C 104 175.400 175.400 175.735 -0.335 17577 575 1 . 1 1 104 104 LYS CA C 104 56.000 56.000 54.342 1.659 17577 576 1 . 1 1 104 104 LYS CB C 104 36.400 36.400 34.879 1.521 17577 577 1 . 1 1 104 104 LYS H H 104 8.980 8.980 8.690 0.290 17577 578 1 . 1 1 106 106 GLY N N 106 136.200 136.200 112.830 23.370 17577 579 1 . 1 1 106 106 GLY CA C 106 46.400 46.400 45.024 1.376 17577 580 1 . 1 1 106 106 GLY H H 106 8.330 8.330 8.560 -0.230 17577 581 1 . 1 1 107 107 ARG N N 107 121.300 121.300 120.965 0.335 17577 582 1 . 1 1 107 107 ARG HA H 107 4.670 4.670 4.713 -0.043 17577 583 1 . 1 1 107 107 ARG C C 107 174.500 174.500 174.543 -0.043 17577 584 1 . 1 1 107 107 ARG CA C 107 55.400 55.400 54.906 0.494 17577 585 1 . 1 1 107 107 ARG CB C 107 33.200 33.200 33.198 0.002 17577 586 1 . 1 1 107 107 ARG H H 107 7.880 7.880 8.020 -0.140 17577 587 1 . 1 1 108 108 THR N N 108 118.800 118.800 117.942 0.857 17577 588 1 . 1 1 108 108 THR HA H 108 4.490 4.490 4.580 -0.090 17577 589 1 . 1 1 108 108 THR C C 108 173.400 173.400 173.476 -0.076 17577 590 1 . 1 1 108 108 THR CA C 108 64.100 64.100 61.548 2.552 17577 591 1 . 1 1 108 108 THR CB C 108 69.800 69.800 70.626 -0.826 17577 592 1 . 1 1 108 108 THR H H 108 8.650 8.650 8.348 0.302 17577 593 1 . 1 1 109 109 LEU N N 109 128.900 128.900 123.799 5.101 17577 594 1 . 1 1 109 109 LEU HA H 109 4.730 4.730 4.754 -0.024 17577 595 1 . 1 1 109 109 LEU C C 109 175.700 175.700 174.282 1.418 17577 596 1 . 1 1 109 109 LEU CA C 109 54.300 54.300 54.130 0.170 17577 597 1 . 1 1 109 109 LEU CB C 109 46.500 46.500 46.071 0.429 17577 598 1 . 1 1 109 109 LEU H H 109 9.220 9.220 8.249 0.971 17577 599 1 . 1 1 110 110 HIS N N 110 116.200 116.200 118.594 -2.394 17577 600 1 . 1 1 110 110 HIS HA H 110 6.040 6.040 5.194 0.846 17577 601 1 . 1 1 110 110 HIS C C 110 175.300 175.300 173.616 1.684 17577 602 1 . 1 1 110 110 HIS CA C 110 55.300 55.300 54.250 1.050 17577 603 1 . 1 1 110 110 HIS CB C 110 34.500 34.500 32.627 1.873 17577 604 1 . 1 1 110 110 HIS H H 110 8.490 8.490 8.089 0.401 17577 605 1 . 1 1 111 111 MET N N 111 123.400 123.400 116.381 7.019 17577 606 1 . 1 1 111 111 MET HA H 111 4.550 4.550 4.824 -0.274 17577 607 1 . 1 1 111 111 MET C C 111 174.000 174.000 173.628 0.372 17577 608 1 . 1 1 111 111 MET CA C 111 56.600 56.600 54.729 1.871 17577 609 1 . 1 1 111 111 MET CB C 111 37.800 37.800 36.910 0.891 17577 610 1 . 1 1 111 111 MET H H 111 9.090 9.090 8.888 0.202 17577 611 1 . 1 1 112 112 MET N N 112 122.900 122.900 119.849 3.051 17577 612 1 . 1 1 112 112 MET HA H 112 5.670 5.670 5.242 0.428 17577 613 1 . 1 1 112 112 MET C C 112 175.400 175.400 175.233 0.167 17577 614 1 . 1 1 112 112 MET CA C 112 55.100 55.100 53.921 1.179 17577 615 1 . 1 1 112 112 MET CB C 112 37.200 37.200 35.512 1.688 17577 616 1 . 1 1 112 112 MET H H 112 9.120 9.120 8.488 0.632 17577 617 1 . 1 1 113 113 ARG N N 113 119.500 119.500 122.862 -3.362 17577 618 1 . 1 1 113 113 ARG HA H 113 5.050 5.050 4.907 0.143 17577 619 1 . 1 1 113 113 ARG C C 113 173.800 173.800 173.795 0.005 17577 620 1 . 1 1 113 113 ARG CA C 113 56.000 56.000 54.890 1.110 17577 621 1 . 1 1 113 113 ARG CB C 113 38.600 38.600 34.163 4.437 17577 622 1 . 1 1 113 113 ARG H H 113 9.390 9.390 8.537 0.853 17577 623 1 . 1 1 114 114 LEU N N 114 124.400 124.400 126.205 -1.805 17577 624 1 . 1 1 114 114 LEU HA H 114 5.030 5.030 5.322 -0.292 17577 625 1 . 1 1 114 114 LEU C C 114 174.200 174.200 174.460 -0.260 17577 626 1 . 1 1 114 114 LEU CA C 114 54.100 54.100 53.177 0.923 17577 627 1 . 1 1 114 114 LEU CB C 114 43.900 43.900 44.786 -0.886 17577 628 1 . 1 1 114 114 LEU H H 114 8.020 8.020 8.822 -0.802 17577 629 1 . 1 1 115 115 TYR N N 115 126.000 126.000 126.552 -0.552 17577 630 1 . 1 1 115 115 TYR HA H 115 5.800 5.800 5.671 0.129 17577 631 1 . 1 1 115 115 TYR C C 115 176.500 176.500 174.798 1.702 17577 632 1 . 1 1 115 115 TYR CA C 115 58.000 58.000 55.739 2.261 17577 633 1 . 1 1 115 115 TYR CB C 115 42.900 42.900 42.062 0.838 17577 634 1 . 1 1 115 115 TYR H H 115 9.540 9.540 9.090 0.450 17577 635 1 . 1 1 116 116 SER N N 116 113.200 113.200 114.956 -1.756 17577 636 1 . 1 1 116 116 SER HA H 116 5.840 5.840 4.988 0.852 17577 637 1 . 1 1 116 116 SER C C 116 175.400 175.400 174.299 1.101 17577 638 1 . 1 1 116 116 SER CA C 116 56.600 56.600 55.492 1.108 17577 639 1 . 1 1 116 116 SER CB C 116 67.700 67.700 65.503 2.197 17577 640 1 . 1 1 116 116 SER H H 116 9.930 9.930 8.587 1.343 17577 641 1 . 1 1 117 117 ARG N N 117 130.500 130.500 125.773 4.727 17577 642 1 . 1 1 117 117 ARG HA H 117 3.680 3.680 4.176 -0.495 17577 643 1 . 1 1 117 117 ARG C C 117 175.400 175.400 176.151 -0.751 17577 644 1 . 1 1 117 117 ARG CA C 117 58.300 58.300 56.349 1.951 17577 645 1 . 1 1 117 117 ARG CB C 117 32.500 32.500 30.738 1.762 17577 646 1 . 1 1 117 117 ARG H H 117 8.350 8.350 8.332 0.018 17577 647 1 . 1 1 118 118 SER N N 118 111.300 111.300 112.138 -0.838 17577 648 1 . 1 1 118 118 SER HA H 118 4.990 4.990 4.799 0.191 17577 649 1 . 1 1 118 118 SER C C 118 173.400 173.400 172.380 1.020 17577 650 1 . 1 1 118 118 SER CA C 118 54.800 54.800 54.761 0.039 17577 651 1 . 1 1 118 118 SER CB C 118 65.800 65.800 64.770 1.030 17577 652 1 . 1 1 118 118 SER H H 118 7.980 7.980 7.448 0.532 17577 653 1 . 1 1 119 119 PRO HA H 119 3.970 3.970 3.978 -0.008 17577 654 1 . 1 1 119 119 PRO C C 119 175.500 175.500 176.426 -0.926 17577 655 1 . 1 1 119 119 PRO CA C 119 65.100 65.100 64.292 0.808 17577 656 1 . 1 1 119 119 PRO CB C 119 32.200 32.200 31.882 0.318 17577 657 1 . 1 1 120 120 GLU N N 120 117.500 117.500 116.619 0.881 17577 658 1 . 1 1 120 120 GLU HA H 120 4.260 4.260 4.368 -0.108 17577 659 1 . 1 1 120 120 GLU C C 120 174.500 174.500 175.304 -0.804 17577 660 1 . 1 1 120 120 GLU CA C 120 55.800 55.800 55.622 0.178 17577 661 1 . 1 1 120 120 GLU CB C 120 29.700 29.700 30.975 -1.275 17577 662 1 . 1 1 120 120 GLU H H 120 7.410 7.410 7.485 -0.075 17577 663 1 . 1 1 121 121 VAL N N 121 124.900 124.900 119.238 5.662 17577 664 1 . 1 1 121 121 VAL HA H 121 4.140 4.140 4.243 -0.103 17577 665 1 . 1 1 121 121 VAL C C 121 174.400 174.400 175.802 -1.402 17577 666 1 . 1 1 121 121 VAL CA C 121 61.700 61.700 61.067 0.633 17577 667 1 . 1 1 121 121 VAL CB C 121 34.100 34.100 32.824 1.276 17577 668 1 . 1 1 121 121 VAL H H 121 7.900 7.900 8.301 -0.401 17577 669 1 . 1 1 122 122 SER N N 122 124.500 124.500 123.560 0.940 17577 670 1 . 1 1 122 122 SER HA H 122 4.750 4.750 4.803 -0.053 17577 671 1 . 1 1 122 122 SER CA C 122 57.300 57.300 55.501 1.799 17577 672 1 . 1 1 122 122 SER CB C 122 64.500 64.500 64.081 0.419 17577 673 1 . 1 1 122 122 SER H H 122 8.680 8.680 8.432 0.248 17577 674 1 . 1 1 123 123 PRO C C 123 175.600 175.600 177.519 -1.919 17577 675 1 . 1 1 123 123 PRO CA C 123 65.900 65.900 65.260 0.640 17577 676 1 . 1 1 124 124 ALA N N 124 120.100 120.100 119.454 0.646 17577 677 1 . 1 1 124 124 ALA HA H 124 4.070 4.070 4.134 -0.064 17577 678 1 . 1 1 124 124 ALA C C 124 179.900 179.900 179.137 0.763 17577 679 1 . 1 1 124 124 ALA CA C 124 55.800 55.800 54.439 1.361 17577 680 1 . 1 1 124 124 ALA CB C 124 19.100 19.100 18.046 1.054 17577 681 1 . 1 1 124 124 ALA H H 124 8.030 8.030 7.923 0.107 17577 682 1 . 1 1 125 125 ALA N N 125 121.100 121.100 121.246 -0.146 17577 683 1 . 1 1 125 125 ALA HA H 125 3.430 3.430 3.112 0.318 17577 684 1 . 1 1 125 125 ALA C C 125 179.200 179.200 179.514 -0.314 17577 685 1 . 1 1 125 125 ALA CA C 125 55.600 55.600 54.605 0.995 17577 686 1 . 1 1 125 125 ALA CB C 125 19.200 19.200 18.179 1.021 17577 687 1 . 1 1 125 125 ALA H H 125 7.510 7.510 8.047 -0.537 17577 688 1 . 1 1 126 126 THR N N 126 113.200 113.200 114.237 -1.037 17577 689 1 . 1 1 126 126 THR HA H 126 4.150 4.150 4.062 0.088 17577 690 1 . 1 1 126 126 THR C C 126 176.100 176.100 176.337 -0.237 17577 691 1 . 1 1 126 126 THR CA C 126 68.900 68.900 66.417 2.483 17577 692 1 . 1 1 126 126 THR CB C 126 67.700 67.700 68.587 -0.887 17577 693 1 . 1 1 126 126 THR H H 126 7.820 7.820 7.621 0.199 17577 694 1 . 1 1 127 127 ALA N N 127 123.100 123.100 124.763 -1.663 17577 695 1 . 1 1 127 127 ALA HA H 127 4.080 4.080 4.126 -0.046 17577 696 1 . 1 1 127 127 ALA C C 127 181.100 181.100 178.963 2.137 17577 697 1 . 1 1 127 127 ALA CA C 127 56.200 56.200 54.957 1.242 17577 698 1 . 1 1 127 127 ALA CB C 127 18.700 18.700 18.359 0.341 17577 699 1 . 1 1 127 127 ALA H H 127 7.900 7.900 7.604 0.296 17577 700 1 . 1 1 128 128 ILE N N 128 120.900 120.900 119.851 1.049 17577 701 1 . 1 1 128 128 ILE HA H 128 3.740 3.740 3.780 -0.040 17577 702 1 . 1 1 128 128 ILE C C 128 177.300 177.300 177.038 0.262 17577 703 1 . 1 1 128 128 ILE CA C 128 65.600 65.600 63.428 2.172 17577 704 1 . 1 1 128 128 ILE CB C 128 39.400 39.400 36.858 2.542 17577 705 1 . 1 1 128 128 ILE H H 128 7.640 7.640 8.257 -0.617 17577 706 1 . 1 1 129 129 PHE N N 129 120.300 120.300 119.892 0.408 17577 707 1 . 1 1 129 129 PHE HA H 129 4.010 4.010 4.053 -0.043 17577 708 1 . 1 1 129 129 PHE C C 129 176.100 176.100 177.136 -1.036 17577 709 1 . 1 1 129 129 PHE CA C 129 63.300 63.300 61.712 1.588 17577 710 1 . 1 1 129 129 PHE CB C 129 40.900 40.900 38.831 2.069 17577 711 1 . 1 1 129 129 PHE H H 129 8.250 8.250 7.687 0.563 17577 712 1 . 1 1 130 130 ARG N N 130 116.300 116.300 119.179 -2.879 17577 713 1 . 1 1 130 130 ARG HA H 130 3.560 3.560 3.769 -0.209 17577 714 1 . 1 1 130 130 ARG C C 130 179.400 179.400 178.207 1.193 17577 715 1 . 1 1 130 130 ARG CA C 130 61.100 61.100 59.161 1.939 17577 716 1 . 1 1 130 130 ARG CB C 130 30.600 30.600 30.099 0.501 17577 717 1 . 1 1 130 130 ARG H H 130 8.650 8.650 7.840 0.810 17577 718 1 . 1 1 131 131 LYS N N 131 122.200 122.200 120.412 1.788 17577 719 1 . 1 1 131 131 LYS HA H 131 4.030 4.030 3.935 0.095 17577 720 1 . 1 1 131 131 LYS C C 131 179.300 179.300 179.038 0.262 17577 721 1 . 1 1 131 131 LYS CA C 131 60.500 60.500 59.751 0.749 17577 722 1 . 1 1 131 131 LYS CB C 131 33.200 33.200 32.233 0.967 17577 723 1 . 1 1 131 131 LYS H H 131 8.020 8.020 7.891 0.129 17577 724 1 . 1 1 132 132 LEU N N 132 120.300 120.300 117.643 2.657 17577 725 1 . 1 1 132 132 LEU HA H 132 3.930 3.930 4.046 -0.116 17577 726 1 . 1 1 132 132 LEU C C 132 179.600 179.600 178.958 0.642 17577 727 1 . 1 1 132 132 LEU CA C 132 58.600 58.600 57.706 0.894 17577 728 1 . 1 1 132 132 LEU CB C 132 42.500 42.500 41.210 1.290 17577 729 1 . 1 1 132 132 LEU H H 132 8.450 8.450 7.562 0.888 17577 730 1 . 1 1 133 133 ALA N N 133 122.400 122.400 120.773 1.627 17577 731 1 . 1 1 133 133 ALA HA H 133 3.970 3.970 3.632 0.338 17577 732 1 . 1 1 133 133 ALA C C 133 180.400 180.400 179.495 0.905 17577 733 1 . 1 1 133 133 ALA CA C 133 56.000 56.000 54.541 1.459 17577 734 1 . 1 1 133 133 ALA CB C 133 16.900 16.900 17.292 -0.392 17577 735 1 . 1 1 133 133 ALA H H 133 8.750 8.750 7.494 1.256 17577 736 1 . 1 1 134 134 GLY N N 134 107.400 107.400 106.178 1.222 17577 737 1 . 1 1 134 134 GLY C C 134 178.200 178.200 176.608 1.592 17577 738 1 . 1 1 134 134 GLY CA C 134 48.100 48.100 46.742 1.358 17577 739 1 . 1 1 134 134 GLY H H 134 8.130 8.130 8.392 -0.262 17577 740 1 . 1 1 135 135 GLU N N 135 121.900 121.900 120.883 1.016 17577 741 1 . 1 1 135 135 GLU HA H 135 4.050 4.050 4.114 -0.064 17577 742 1 . 1 1 135 135 GLU C C 135 177.400 177.400 177.579 -0.179 17577 743 1 . 1 1 135 135 GLU CA C 135 59.300 59.300 58.153 1.147 17577 744 1 . 1 1 135 135 GLU CB C 135 30.400 30.400 29.567 0.833 17577 745 1 . 1 1 135 135 GLU H H 135 7.730 7.730 7.658 0.072 17577 746 1 . 1 1 136 136 ARG N N 136 118.000 118.000 117.209 0.791 17577 747 1 . 1 1 136 136 ARG HA H 136 4.150 4.150 4.392 -0.242 17577 748 1 . 1 1 136 136 ARG C C 136 173.500 173.500 175.203 -1.703 17577 749 1 . 1 1 136 136 ARG CA C 136 55.800 55.800 55.259 0.541 17577 750 1 . 1 1 136 136 ARG CB C 136 28.900 28.900 30.152 -1.252 17577 751 1 . 1 1 136 136 ARG H H 136 7.130 7.130 7.294 -0.165 17577 752 1 . 1 1 137 137 ASN N N 137 109.600 109.600 115.572 -5.972 17577 753 1 . 1 1 137 137 ASN HA H 137 4.150 4.150 4.409 -0.259 17577 754 1 . 1 1 137 137 ASN C C 137 174.200 174.200 174.660 -0.460 17577 755 1 . 1 1 137 137 ASN CA C 137 56.000 56.000 54.380 1.620 17577 756 1 . 1 1 137 137 ASN CB C 137 37.200 37.200 36.681 0.519 17577 757 1 . 1 1 137 137 ASN H H 137 7.560 7.560 8.248 -0.688 17577 758 1 . 1 1 138 138 TYR N N 138 118.600 118.600 117.366 1.234 17577 759 1 . 1 1 138 138 TYR HA H 138 5.290 5.290 4.713 0.577 17577 760 1 . 1 1 138 138 TYR C C 138 175.900 175.900 175.497 0.403 17577 761 1 . 1 1 138 138 TYR CA C 138 57.700 57.700 56.538 1.162 17577 762 1 . 1 1 138 138 TYR CB C 138 37.600 37.600 39.285 -1.685 17577 763 1 . 1 1 138 138 TYR H H 138 8.020 8.020 8.022 -0.002 17577 764 1 . 1 1 139 139 THR N N 139 115.000 115.000 112.230 2.770 17577 765 1 . 1 1 139 139 THR HA H 139 4.420 4.420 4.196 0.224 17577 766 1 . 1 1 139 139 THR C C 139 175.500 175.500 175.372 0.128 17577 767 1 . 1 1 139 139 THR CA C 139 61.400 61.400 59.294 2.106 17577 768 1 . 1 1 139 139 THR CB C 139 71.400 71.400 71.821 -0.421 17577 769 1 . 1 1 139 139 THR H H 139 7.740 7.740 7.829 -0.089 17577 770 1 . 1 1 140 140 ASP N N 140 117.900 117.900 124.017 -6.117 17577 771 1 . 1 1 140 140 ASP HA H 140 4.260 4.260 4.166 0.094 17577 772 1 . 1 1 140 140 ASP C C 140 178.400 178.400 177.942 0.458 17577 773 1 . 1 1 140 140 ASP CA C 140 59.000 59.000 57.590 1.410 17577 774 1 . 1 1 140 140 ASP CB C 140 41.800 41.800 40.092 1.708 17577 775 1 . 1 1 140 140 ASP H H 140 8.630 8.630 8.747 -0.117 17577 776 1 . 1 1 141 141 GLU N N 141 116.800 116.800 118.507 -1.707 17577 777 1 . 1 1 141 141 GLU HA H 141 4.270 4.270 4.074 0.196 17577 778 1 . 1 1 141 141 GLU C C 141 176.200 176.200 177.680 -1.480 17577 779 1 . 1 1 141 141 GLU CA C 141 59.100 59.100 58.245 0.855 17577 780 1 . 1 1 141 141 GLU CB C 141 30.100 30.100 29.096 1.004 17577 781 1 . 1 1 141 141 GLU H H 141 8.500 8.500 8.152 0.348 17577 782 1 . 1 1 142 142 MET N N 142 117.400 117.400 115.733 1.667 17577 783 1 . 1 1 142 142 MET HA H 142 4.490 4.490 4.374 0.116 17577 784 1 . 1 1 142 142 MET C C 142 172.900 172.900 175.745 -2.845 17577 785 1 . 1 1 142 142 MET CA C 142 57.100 57.100 57.231 -0.131 17577 786 1 . 1 1 142 142 MET CB C 142 33.400 33.400 33.811 -0.411 17577 787 1 . 1 1 142 142 MET H H 142 7.960 7.960 7.815 0.145 17577 788 1 . 1 1 143 143 VAL N N 143 116.800 116.800 118.376 -1.576 17577 789 1 . 1 1 143 143 VAL HA H 143 4.790 4.790 4.752 0.038 17577 790 1 . 1 1 143 143 VAL C C 143 175.600 175.600 174.047 1.553 17577 791 1 . 1 1 143 143 VAL CA C 143 62.200 62.200 59.836 2.364 17577 792 1 . 1 1 143 143 VAL CB C 143 34.500 34.500 34.368 0.132 17577 793 1 . 1 1 143 143 VAL H H 143 7.120 7.120 7.800 -0.680 17577 794 1 . 1 1 144 144 ALA N N 144 131.000 131.000 132.410 -1.410 17577 795 1 . 1 1 144 144 ALA HA H 144 4.810 4.810 4.833 -0.023 17577 796 1 . 1 1 144 144 ALA C C 144 175.800 175.800 176.078 -0.278 17577 797 1 . 1 1 144 144 ALA CA C 144 51.500 51.500 50.655 0.845 17577 798 1 . 1 1 144 144 ALA CB C 144 22.600 22.600 21.283 1.317 17577 799 1 . 1 1 144 144 ALA H H 144 9.600 9.600 8.489 1.111 17577 800 1 . 1 1 145 145 MET N N 145 122.400 122.400 123.855 -1.455 17577 801 1 . 1 1 145 145 MET HA H 145 4.890 4.890 4.544 0.346 17577 802 1 . 1 1 145 145 MET C C 145 176.900 176.900 175.414 1.486 17577 803 1 . 1 1 145 145 MET CA C 145 54.000 54.000 55.334 -1.334 17577 804 1 . 1 1 145 145 MET CB C 145 30.100 30.100 33.332 -3.232 17577 805 1 . 1 1 145 145 MET H H 145 8.630 8.630 8.622 0.008 17577 806 1 . 1 1 146 146 LEU N N 146 125.400 125.400 125.588 -0.188 17577 807 1 . 1 1 146 146 LEU HA H 146 4.540 4.540 4.863 -0.323 17577 808 1 . 1 1 146 146 LEU C C 146 174.500 174.500 174.679 -0.179 17577 809 1 . 1 1 146 146 LEU CA C 146 53.900 53.900 51.540 2.360 17577 810 1 . 1 1 146 146 LEU CB C 146 42.800 42.800 44.079 -1.279 17577 811 1 . 1 1 146 146 LEU H H 146 7.880 7.880 8.347 -0.467 17577 812 1 . 1 1 147 147 PRO HA H 147 4.580 4.580 4.729 -0.149 17577 813 1 . 1 1 147 147 PRO C C 147 176.200 176.200 177.050 -0.850 17577 814 1 . 1 1 147 147 PRO CA C 147 63.300 63.300 62.145 1.155 17577 815 1 . 1 1 147 147 PRO CB C 147 33.600 33.600 33.097 0.503 17577 816 1 . 1 1 148 148 ARG N N 148 120.700 120.700 117.932 2.768 17577 817 1 . 1 1 148 148 ARG HA H 148 4.270 4.270 4.056 0.214 17577 818 1 . 1 1 148 148 ARG C C 148 175.500 175.500 176.045 -0.545 17577 819 1 . 1 1 148 148 ARG CA C 148 58.300 58.300 57.617 0.683 17577 820 1 . 1 1 148 148 ARG CB C 148 32.400 32.400 29.953 2.447 17577 821 1 . 1 1 148 148 ARG H H 148 8.540 8.540 8.543 -0.003 17577 822 1 . 1 1 149 149 GLN N N 149 115.000 115.000 120.640 -5.640 17577 823 1 . 1 1 149 149 GLN HA H 149 4.720 4.720 4.168 0.552 17577 824 1 . 1 1 149 149 GLN C C 149 174.300 174.300 174.980 -0.680 17577 825 1 . 1 1 149 149 GLN CA C 149 55.900 55.900 57.010 -1.110 17577 826 1 . 1 1 149 149 GLN CB C 149 29.700 29.700 28.840 0.860 17577 827 1 . 1 1 149 149 GLN H H 149 7.770 7.770 8.124 -0.354 17577 828 1 . 1 1 150 150 GLU N N 150 117.800 117.800 122.118 -4.318 17577 829 1 . 1 1 150 150 GLU HA H 150 4.470 4.470 4.615 -0.145 17577 830 1 . 1 1 150 150 GLU C C 150 175.800 175.800 175.387 0.413 17577 831 1 . 1 1 150 150 GLU CA C 150 56.300 56.300 55.011 1.289 17577 832 1 . 1 1 150 150 GLU CB C 150 32.400 32.400 31.863 0.537 17577 833 1 . 1 1 150 150 GLU H H 150 8.570 8.570 8.487 0.083 17577 834 1 . 1 1 151 151 GLU N N 151 119.200 119.200 121.646 -2.446 17577 835 1 . 1 1 151 151 GLU HA H 151 4.260 4.260 4.486 -0.226 17577 836 1 . 1 1 151 151 GLU C C 151 176.000 176.000 175.670 0.330 17577 837 1 . 1 1 151 151 GLU CA C 151 59.500 59.500 56.804 2.696 17577 838 1 . 1 1 151 151 GLU CB C 151 32.200 32.200 30.616 1.584 17577 839 1 . 1 1 151 151 GLU H H 151 8.000 8.000 8.803 -0.803 17577 840 1 . 1 1 152 152 CYS N N 152 122.100 122.100 118.429 3.671 17577 841 1 . 1 1 152 152 CYS HA H 152 5.140 5.140 4.823 0.317 17577 842 1 . 1 1 152 152 CYS C C 152 172.800 172.800 173.387 -0.587 17577 843 1 . 1 1 152 152 CYS CA C 152 54.000 54.000 58.263 -4.263 17577 844 1 . 1 1 152 152 CYS CB C 152 34.900 34.900 29.674 5.226 17577 845 1 . 1 1 152 152 CYS H H 152 9.620 9.620 8.128 1.492 17577 846 1 . 1 1 153 153 THR N N 153 118.000 118.000 113.971 4.029 17577 847 1 . 1 1 153 153 THR HA H 153 4.860 4.860 4.624 0.236 17577 848 1 . 1 1 153 153 THR C C 153 173.000 173.000 173.398 -0.398 17577 849 1 . 1 1 153 153 THR CA C 153 59.800 59.800 60.862 -1.062 17577 850 1 . 1 1 153 153 THR CB C 153 72.500 72.500 70.685 1.815 17577 851 1 . 1 1 153 153 THR H H 153 8.490 8.490 8.097 0.393 17577 852 1 . 1 1 154 154 VAL N N 154 114.900 114.900 119.051 -4.151 17577 853 1 . 1 1 154 154 VAL HA H 154 4.120 4.120 4.283 -0.163 17577 854 1 . 1 1 154 154 VAL C C 154 175.500 175.500 175.229 0.271 17577 855 1 . 1 1 154 154 VAL CA C 154 62.000 62.000 61.891 0.109 17577 856 1 . 1 1 154 154 VAL CB C 154 33.100 33.100 32.761 0.339 17577 857 1 . 1 1 154 154 VAL H H 154 6.920 6.920 8.106 -1.186 17577 858 1 . 1 1 155 155 ASP N N 155 124.100 124.100 122.639 1.461 17577 859 1 . 1 1 155 155 ASP HA H 155 4.490 4.490 4.642 -0.152 17577 860 1 . 1 1 155 155 ASP C C 155 175.800 175.800 176.390 -0.590 17577 861 1 . 1 1 155 155 ASP CA C 155 55.700 55.700 53.895 1.805 17577 862 1 . 1 1 155 155 ASP CB C 155 42.300 42.300 42.010 0.290 17577 863 1 . 1 1 155 155 ASP H H 155 8.390 8.390 8.345 0.045 17577 864 1 . 1 1 156 156 GLU N N 156 121.000 121.000 120.289 0.711 17577 865 1 . 1 1 156 156 GLU HA H 156 4.170 4.170 4.292 -0.122 17577 866 1 . 1 1 156 156 GLU C C 156 175.400 175.400 176.826 -1.426 17577 867 1 . 1 1 156 156 GLU CA C 156 57.500 57.500 57.010 0.490 17577 868 1 . 1 1 156 156 GLU CB C 156 31.400 31.400 29.755 1.645 17577 869 1 . 1 1 156 156 GLU H H 156 8.450 8.450 8.549 -0.099 17577 stop_ save_