data_18048 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18048 _Entry.PDB_ID 2LLH 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 18048 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 122.400 122.400 121.983 0.417 18048 2 1 1 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.725 -0.595 18048 3 1 1 . 1 1 2 2 GLU C C 2 173.800 173.800 175.621 -1.821 18048 4 1 1 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.303 -2.203 18048 5 1 1 . 1 1 2 2 GLU CB C 2 27.300 27.300 31.165 -3.865 18048 6 1 1 . 1 1 2 2 GLU H H 2 8.490 8.490 8.634 -0.144 18048 7 1 1 . 1 1 3 3 SER N N 3 116.300 116.300 117.233 -0.933 18048 8 1 1 . 1 1 3 3 SER HA H 3 4.240 4.240 4.871 -0.631 18048 9 1 1 . 1 1 3 3 SER C C 3 171.500 171.500 174.496 -2.996 18048 10 1 1 . 1 1 3 3 SER CA C 3 55.800 55.800 58.007 -2.207 18048 11 1 1 . 1 1 3 3 SER CB C 3 60.900 60.900 64.129 -3.229 18048 12 1 1 . 1 1 3 3 SER H H 3 8.210 8.210 8.455 -0.245 18048 13 1 1 . 1 1 4 4 PHE N N 4 121.700 121.700 121.484 0.216 18048 14 1 1 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.638 -0.158 18048 15 1 1 . 1 1 4 4 PHE C C 4 172.800 172.800 174.906 -2.106 18048 16 1 1 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.276 -3.276 18048 17 1 1 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.823 -3.323 18048 18 1 1 . 1 1 4 4 PHE H H 4 8.040 8.040 8.196 -0.156 18048 19 1 1 . 1 1 5 5 LYS N N 5 122.600 122.600 119.835 2.765 18048 20 1 1 . 1 1 5 5 LYS HA H 5 4.120 4.120 3.678 0.442 18048 21 1 1 . 1 1 5 5 LYS C C 5 173.400 173.400 175.659 -2.259 18048 22 1 1 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.762 -3.362 18048 23 1 1 . 1 1 5 5 LYS CB C 5 30.100 30.100 31.563 -1.463 18048 24 1 1 . 1 1 5 5 LYS H H 5 7.990 7.990 7.749 0.241 18048 25 1 1 . 1 1 6 6 LYS N N 6 122.800 122.800 118.273 4.527 18048 26 1 1 . 1 1 6 6 LYS C C 6 173.700 173.700 176.680 -2.980 18048 27 1 1 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.559 -3.860 18048 28 1 1 . 1 1 6 6 LYS H H 6 8.160 8.160 6.995 1.165 18048 29 1 1 . 1 1 7 7 GLN N N 7 120.800 120.800 116.887 3.913 18048 30 1 1 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.340 0.190 18048 31 1 1 . 1 1 7 7 GLN C C 7 173.600 173.600 174.989 -1.389 18048 32 1 1 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.058 -2.358 18048 33 1 1 . 1 1 7 7 GLN CB C 7 27.300 27.300 30.151 -2.850 18048 34 1 1 . 1 1 7 7 GLN H H 7 8.240 8.240 7.406 0.834 18048 35 1 1 . 1 1 8 8 GLU N N 8 121.400 121.400 119.480 1.920 18048 36 1 1 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.156 0.044 18048 37 1 1 . 1 1 8 8 GLU C C 8 173.100 173.100 175.671 -2.571 18048 38 1 1 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.660 -3.760 18048 39 1 1 . 1 1 8 8 GLU CB C 8 27.600 27.600 28.053 -0.453 18048 40 1 1 . 1 1 8 8 GLU H H 8 8.270 8.270 8.667 -0.397 18048 41 1 1 . 1 1 9 9 LYS N N 9 123.000 123.000 115.775 7.225 18048 42 1 1 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.015 0.225 18048 43 1 1 . 1 1 9 9 LYS C C 9 173.700 173.700 175.323 -1.623 18048 44 1 1 . 1 1 9 9 LYS CA C 9 53.500 53.500 57.230 -3.730 18048 45 1 1 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.228 -2.128 18048 46 1 1 . 1 1 9 9 LYS H H 9 8.390 8.390 8.251 0.139 18048 47 1 1 . 1 1 10 10 THR N N 10 117.900 117.900 114.458 3.442 18048 48 1 1 . 1 1 10 10 THR HA H 10 4.450 4.450 4.680 -0.230 18048 49 1 1 . 1 1 10 10 THR C C 10 170.000 170.000 173.178 -3.178 18048 50 1 1 . 1 1 10 10 THR CA C 10 57.000 57.000 60.233 -3.233 18048 51 1 1 . 1 1 10 10 THR CB C 10 66.800 66.800 69.082 -2.282 18048 52 1 1 . 1 1 10 10 THR H H 10 8.140 8.140 8.195 -0.055 18048 53 1 1 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.602 -0.292 18048 54 1 1 . 1 1 11 11 PRO C C 11 173.800 173.800 176.691 -2.891 18048 55 1 1 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.355 -2.954 18048 56 1 1 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.240 -2.940 18048 57 1 1 . 1 1 12 12 LYS N N 12 121.700 121.700 122.721 -1.021 18048 58 1 1 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.322 -0.112 18048 59 1 1 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.639 -3.139 18048 60 1 1 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.325 -3.125 18048 61 1 1 . 1 1 12 12 LYS H H 12 8.380 8.380 8.615 -0.235 18048 62 1 1 . 1 1 13 13 THR N N 13 115.600 115.600 118.147 -2.547 18048 63 1 1 . 1 1 13 13 THR HA H 13 4.360 4.360 4.184 0.176 18048 64 1 1 . 1 1 13 13 THR C C 13 169.800 169.800 172.606 -2.806 18048 65 1 1 . 1 1 13 13 THR CA C 13 55.800 55.800 61.542 -5.742 18048 66 1 1 . 1 1 13 13 THR CB C 13 67.800 67.800 69.184 -1.384 18048 67 1 1 . 1 1 13 13 THR H H 13 7.940 7.940 8.296 -0.356 18048 68 1 1 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.494 -0.104 18048 69 1 1 . 1 1 14 14 PRO C C 14 174.000 174.000 175.931 -1.931 18048 70 1 1 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.238 -2.938 18048 71 1 1 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.202 -3.002 18048 72 1 1 . 1 1 15 15 LYS N N 15 121.700 121.700 122.715 -1.015 18048 73 1 1 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.529 -0.319 18048 74 1 1 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.403 -2.903 18048 75 1 1 . 1 1 15 15 LYS CB C 15 30.300 30.300 35.844 -5.544 18048 76 1 1 . 1 1 15 15 LYS H H 15 8.360 8.360 8.226 0.134 18048 77 1 1 . 1 1 16 16 GLY N N 16 110.100 110.100 110.194 -0.094 18048 78 1 1 . 1 1 16 16 GLY C C 16 168.900 168.900 172.785 -3.885 18048 79 1 1 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.724 -3.024 18048 80 1 1 . 1 1 16 16 GLY H H 16 8.220 8.220 8.302 -0.082 18048 81 1 1 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.642 -0.262 18048 82 1 1 . 1 1 17 17 PRO C C 17 174.600 174.600 177.322 -2.722 18048 83 1 1 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.219 -1.720 18048 84 1 1 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.671 -3.271 18048 85 1 1 . 1 1 18 18 SER N N 18 116.500 116.500 113.812 2.688 18048 86 1 1 . 1 1 18 18 SER HA H 18 4.420 4.420 4.637 -0.217 18048 87 1 1 . 1 1 18 18 SER C C 18 171.300 171.300 174.383 -3.083 18048 88 1 1 . 1 1 18 18 SER CA C 18 55.900 55.900 59.714 -3.814 18048 89 1 1 . 1 1 18 18 SER CB C 18 61.400 61.400 63.594 -2.194 18048 90 1 1 . 1 1 18 18 SER H H 18 8.520 8.520 8.748 -0.228 18048 91 1 1 . 1 1 19 19 SER N N 19 117.700 117.700 115.791 1.909 18048 92 1 1 . 1 1 19 19 SER HA H 19 4.370 4.370 4.882 -0.512 18048 93 1 1 . 1 1 19 19 SER C C 19 172.600 172.600 174.485 -1.885 18048 94 1 1 . 1 1 19 19 SER CA C 19 55.500 55.500 56.617 -1.117 18048 95 1 1 . 1 1 19 19 SER CB C 19 61.400 61.400 64.064 -2.664 18048 96 1 1 . 1 1 19 19 SER H H 19 8.490 8.490 7.350 1.140 18048 97 1 1 . 1 1 20 20 VAL N N 20 120.500 120.500 122.225 -1.725 18048 98 1 1 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.367 0.123 18048 99 1 1 . 1 1 20 20 VAL C C 20 174.300 174.300 177.148 -2.848 18048 100 1 1 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.749 -2.249 18048 101 1 1 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.644 -2.744 18048 102 1 1 . 1 1 20 20 VAL H H 20 8.310 8.310 8.583 -0.273 18048 103 1 1 . 1 1 21 21 GLU N N 21 118.700 118.700 119.914 -1.214 18048 104 1 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.025 -0.395 18048 105 1 1 . 1 1 21 21 GLU C C 21 176.300 176.300 178.563 -2.263 18048 106 1 1 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.407 -2.507 18048 107 1 1 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.954 -3.054 18048 108 1 1 . 1 1 21 21 GLU H H 21 8.110 8.110 8.617 -0.507 18048 109 1 1 . 1 1 22 22 ASP N N 22 120.400 120.400 120.423 -0.023 18048 110 1 1 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.383 -0.123 18048 111 1 1 . 1 1 22 22 ASP C C 22 175.600 175.600 178.113 -2.513 18048 112 1 1 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.416 -3.216 18048 113 1 1 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.888 -2.988 18048 114 1 1 . 1 1 22 22 ASP H H 22 7.810 7.810 8.101 -0.291 18048 115 1 1 . 1 1 23 23 ILE N N 23 120.900 120.900 120.726 0.174 18048 116 1 1 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.544 -0.444 18048 117 1 1 . 1 1 23 23 ILE C C 23 175.100 175.100 177.965 -2.865 18048 118 1 1 . 1 1 23 23 ILE CA C 23 62.300 62.300 65.261 -2.961 18048 119 1 1 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.713 -3.413 18048 120 1 1 . 1 1 23 23 ILE H H 23 7.670 7.670 7.215 0.455 18048 121 1 1 . 1 1 24 24 LYS N N 24 120.000 120.000 120.228 -0.228 18048 122 1 1 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.882 -0.792 18048 123 1 1 . 1 1 24 24 LYS C C 24 175.400 175.400 178.457 -3.057 18048 124 1 1 . 1 1 24 24 LYS CA C 24 57.400 57.400 58.473 -1.073 18048 125 1 1 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.649 -2.049 18048 126 1 1 . 1 1 24 24 LYS H H 24 8.060 8.060 7.971 0.089 18048 127 1 1 . 1 1 25 25 ALA N N 25 119.000 119.000 121.698 -2.698 18048 128 1 1 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.077 -0.047 18048 129 1 1 . 1 1 25 25 ALA C C 25 178.700 178.700 180.058 -1.358 18048 130 1 1 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.217 -2.917 18048 131 1 1 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.288 -3.588 18048 132 1 1 . 1 1 25 25 ALA H H 25 7.410 7.410 7.931 -0.521 18048 133 1 1 . 1 1 26 26 LYS N N 26 120.100 120.100 118.501 1.599 18048 134 1 1 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.176 -0.126 18048 135 1 1 . 1 1 26 26 LYS C C 26 177.600 177.600 179.021 -1.421 18048 136 1 1 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.653 -2.053 18048 137 1 1 . 1 1 26 26 LYS CB C 26 29.600 29.600 31.973 -2.373 18048 138 1 1 . 1 1 26 26 LYS H H 26 7.760 7.760 8.427 -0.667 18048 139 1 1 . 1 1 27 27 MET N N 27 120.900 120.900 120.616 0.284 18048 140 1 1 . 1 1 27 27 MET HA H 27 4.220 4.220 4.276 -0.056 18048 141 1 1 . 1 1 27 27 MET C C 27 175.900 175.900 178.652 -2.752 18048 142 1 1 . 1 1 27 27 MET CA C 27 58.000 58.000 59.663 -1.663 18048 143 1 1 . 1 1 27 27 MET CB C 27 30.600 30.600 32.645 -2.046 18048 144 1 1 . 1 1 27 27 MET H H 27 8.620 8.620 8.622 -0.002 18048 145 1 1 . 1 1 28 28 GLN N N 28 119.700 119.700 117.685 2.015 18048 146 1 1 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.008 0.032 18048 147 1 1 . 1 1 28 28 GLN C C 28 175.500 175.500 178.427 -2.927 18048 148 1 1 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.301 -1.601 18048 149 1 1 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.555 -1.855 18048 150 1 1 . 1 1 28 28 GLN H H 28 8.970 8.970 7.801 1.169 18048 151 1 1 . 1 1 29 29 ALA N N 29 120.900 120.900 123.303 -2.403 18048 152 1 1 . 1 1 29 29 ALA HA H 29 4.160 4.160 3.886 0.274 18048 153 1 1 . 1 1 29 29 ALA C C 29 177.500 177.500 179.659 -2.159 18048 154 1 1 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.319 -3.219 18048 155 1 1 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.157 -3.357 18048 156 1 1 . 1 1 29 29 ALA H H 29 7.940 7.940 8.276 -0.336 18048 157 1 1 . 1 1 30 30 SER N N 30 112.900 112.900 115.304 -2.404 18048 158 1 1 . 1 1 30 30 SER HA H 30 4.180 4.180 4.245 -0.065 18048 159 1 1 . 1 1 30 30 SER CA C 30 58.900 58.900 62.159 -3.259 18048 160 1 1 . 1 1 30 30 SER CB C 30 60.000 60.000 63.077 -3.077 18048 161 1 1 . 1 1 30 30 SER H H 30 7.780 7.780 8.394 -0.614 18048 162 1 1 . 1 1 31 31 ILE N N 31 122.000 122.000 120.614 1.386 18048 163 1 1 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.895 -0.045 18048 164 1 1 . 1 1 31 31 ILE C C 31 173.900 173.900 177.246 -3.346 18048 165 1 1 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.304 -1.804 18048 166 1 1 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.920 -3.020 18048 167 1 1 . 1 1 31 31 ILE H H 31 7.940 7.940 8.000 -0.060 18048 168 1 1 . 1 1 32 32 GLU N N 32 121.800 121.800 119.910 1.890 18048 169 1 1 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.268 -0.238 18048 170 1 1 . 1 1 32 32 GLU C C 32 175.200 175.200 178.643 -3.443 18048 171 1 1 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.656 -2.356 18048 172 1 1 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.867 -3.367 18048 173 1 1 . 1 1 32 32 GLU H H 32 8.140 8.140 8.173 -0.033 18048 174 1 1 . 1 1 33 33 LYS N N 33 116.200 116.200 118.905 -2.705 18048 175 1 1 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.261 0.119 18048 176 1 1 . 1 1 33 33 LYS C C 33 173.800 173.800 178.731 -4.931 18048 177 1 1 . 1 1 33 33 LYS CA C 33 52.900 52.900 58.177 -5.277 18048 178 1 1 . 1 1 33 33 LYS CB C 33 29.500 29.500 32.656 -3.156 18048 179 1 1 . 1 1 33 33 LYS H H 33 7.350 7.350 8.301 -0.951 18048 180 1 1 . 1 1 34 34 GLY N N 34 107.400 107.400 104.940 2.460 18048 181 1 1 . 1 1 34 34 GLY C C 34 172.400 172.400 175.050 -2.650 18048 182 1 1 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.452 -1.852 18048 183 1 1 . 1 1 34 34 GLY H H 34 7.830 7.830 7.868 -0.038 18048 184 1 1 . 1 1 35 35 GLY N N 35 109.200 109.200 108.853 0.347 18048 185 1 1 . 1 1 35 35 GLY C C 35 169.500 169.500 174.177 -4.677 18048 186 1 1 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.535 -3.935 18048 187 1 1 . 1 1 35 35 GLY H H 35 8.330 8.330 7.828 0.502 18048 188 1 1 . 1 1 36 36 SER N N 36 112.700 112.700 115.588 -2.888 18048 189 1 1 . 1 1 36 36 SER HA H 36 4.610 4.610 4.712 -0.102 18048 190 1 1 . 1 1 36 36 SER C C 36 171.000 171.000 172.636 -1.636 18048 191 1 1 . 1 1 36 36 SER CA C 36 54.000 54.000 57.716 -3.716 18048 192 1 1 . 1 1 36 36 SER CB C 36 62.300 62.300 66.220 -3.920 18048 193 1 1 . 1 1 36 36 SER H H 36 8.150 8.150 7.588 0.562 18048 194 1 1 . 1 1 37 37 LEU N N 37 122.700 122.700 122.298 0.402 18048 195 1 1 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.675 -0.515 18048 196 1 1 . 1 1 37 37 LEU C C 37 173.600 173.600 174.727 -1.127 18048 197 1 1 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.093 1.307 18048 198 1 1 . 1 1 37 37 LEU CB C 37 40.500 40.500 45.012 -4.512 18048 199 1 1 . 1 1 37 37 LEU H H 37 8.380 8.380 8.278 0.102 18048 200 1 1 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.693 -0.423 18048 201 1 1 . 1 1 38 38 PRO C C 38 174.400 174.400 176.118 -1.718 18048 202 1 1 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.880 -1.480 18048 203 1 1 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.294 -2.494 18048 204 1 1 . 1 1 39 39 LYS N N 39 122.300 122.300 121.167 1.133 18048 205 1 1 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.599 -0.219 18048 206 1 1 . 1 1 39 39 LYS C C 39 172.300 172.300 176.310 -4.010 18048 207 1 1 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.467 -2.767 18048 208 1 1 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.892 -2.592 18048 209 1 1 . 1 1 39 39 LYS H H 39 8.920 8.920 8.546 0.374 18048 210 1 1 . 1 1 40 40 VAL N N 40 118.500 118.500 122.283 -3.783 18048 211 1 1 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.556 -0.276 18048 212 1 1 . 1 1 40 40 VAL C C 40 173.600 173.600 175.853 -2.253 18048 213 1 1 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.408 -2.308 18048 214 1 1 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.863 -3.463 18048 215 1 1 . 1 1 40 40 VAL H H 40 7.000 7.000 7.705 -0.705 18048 216 1 1 . 1 1 41 41 GLU N N 41 131.800 131.800 128.535 3.265 18048 217 1 1 . 1 1 41 41 GLU HA H 41 3.950 3.950 2.878 1.072 18048 218 1 1 . 1 1 41 41 GLU C C 41 174.700 174.700 177.121 -2.421 18048 219 1 1 . 1 1 41 41 GLU CA C 41 57.700 57.700 58.824 -1.124 18048 220 1 1 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.663 -1.563 18048 221 1 1 . 1 1 41 41 GLU H H 41 8.820 8.820 8.877 -0.057 18048 222 1 1 . 1 1 42 42 ALA N N 42 117.700 117.700 121.629 -3.929 18048 223 1 1 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.085 -0.295 18048 224 1 1 . 1 1 42 42 ALA C C 42 178.000 178.000 179.954 -1.954 18048 225 1 1 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.644 -1.744 18048 226 1 1 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.032 -2.631 18048 227 1 1 . 1 1 42 42 ALA H H 42 8.630 8.630 8.344 0.286 18048 228 1 1 . 1 1 43 43 LYS N N 43 113.500 113.500 119.902 -6.402 18048 229 1 1 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.075 0.015 18048 230 1 1 . 1 1 43 43 LYS C C 43 176.600 176.600 178.836 -2.236 18048 231 1 1 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.105 -3.905 18048 232 1 1 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.383 -2.383 18048 233 1 1 . 1 1 43 43 LYS H H 43 6.530 6.530 7.591 -1.061 18048 234 1 1 . 1 1 44 44 PHE N N 44 123.600 123.600 121.709 1.891 18048 235 1 1 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.217 -0.277 18048 236 1 1 . 1 1 44 44 PHE C C 44 173.300 173.300 177.291 -3.991 18048 237 1 1 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.476 -1.176 18048 238 1 1 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.194 -2.494 18048 239 1 1 . 1 1 44 44 PHE H H 44 8.610 8.610 8.242 0.368 18048 240 1 1 . 1 1 45 45 ILE N N 45 119.600 119.600 119.346 0.254 18048 241 1 1 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.386 -0.016 18048 242 1 1 . 1 1 45 45 ILE C C 45 174.700 174.700 177.361 -2.661 18048 243 1 1 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.633 -2.133 18048 244 1 1 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.435 -2.435 18048 245 1 1 . 1 1 45 45 ILE H H 45 8.690 8.690 8.667 0.023 18048 246 1 1 . 1 1 46 46 ASN N N 46 115.900 115.900 118.768 -2.868 18048 247 1 1 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.290 -0.040 18048 248 1 1 . 1 1 46 46 ASN C C 46 173.800 173.800 177.310 -3.510 18048 249 1 1 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.364 -2.564 18048 250 1 1 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.316 -2.716 18048 251 1 1 . 1 1 46 46 ASN H H 46 7.320 7.320 7.981 -0.661 18048 252 1 1 . 1 1 47 47 TYR N N 47 120.900 120.900 120.801 0.099 18048 253 1 1 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.111 0.179 18048 254 1 1 . 1 1 47 47 TYR C C 47 174.400 174.400 177.476 -3.076 18048 255 1 1 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.590 -3.390 18048 256 1 1 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.443 -2.643 18048 257 1 1 . 1 1 47 47 TYR H H 47 7.840 7.840 8.165 -0.325 18048 258 1 1 . 1 1 48 48 VAL N N 48 117.800 117.800 119.832 -2.032 18048 259 1 1 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.278 0.192 18048 260 1 1 . 1 1 48 48 VAL C C 48 176.300 176.300 177.803 -1.503 18048 261 1 1 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.789 -2.989 18048 262 1 1 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.323 -2.923 18048 263 1 1 . 1 1 48 48 VAL H H 48 8.260 8.260 8.305 -0.045 18048 264 1 1 . 1 1 49 49 LYS N N 49 119.700 119.700 116.098 3.602 18048 265 1 1 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.237 -0.287 18048 266 1 1 . 1 1 49 49 LYS C C 49 176.400 176.400 177.655 -1.255 18048 267 1 1 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.426 -0.826 18048 268 1 1 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.202 -2.302 18048 269 1 1 . 1 1 49 49 LYS H H 49 8.070 8.070 8.002 0.068 18048 270 1 1 . 1 1 50 50 ASN N N 50 115.600 115.600 117.094 -1.494 18048 271 1 1 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.514 -0.164 18048 272 1 1 . 1 1 50 50 ASN C C 50 174.100 174.100 176.708 -2.608 18048 273 1 1 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.378 -2.378 18048 274 1 1 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.909 -2.609 18048 275 1 1 . 1 1 50 50 ASN H H 50 8.080 8.080 7.583 0.497 18048 276 1 1 . 1 1 51 51 CYS N N 51 115.800 115.800 117.582 -1.782 18048 277 1 1 . 1 1 51 51 CYS C C 51 172.800 172.800 173.593 -0.793 18048 278 1 1 . 1 1 51 51 CYS CA C 51 58.800 58.800 60.698 -1.898 18048 279 1 1 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.789 -4.589 18048 280 1 1 . 1 1 51 51 CYS H H 51 8.480 8.480 7.740 0.740 18048 281 1 1 . 1 1 52 52 PHE N N 52 112.700 112.700 118.508 -5.808 18048 282 1 1 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.695 -0.075 18048 283 1 1 . 1 1 52 52 PHE C C 52 171.900 171.900 174.569 -2.669 18048 284 1 1 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.699 -2.099 18048 285 1 1 . 1 1 52 52 PHE CB C 52 36.900 36.900 42.057 -5.157 18048 286 1 1 . 1 1 52 52 PHE H H 52 7.230 7.230 7.725 -0.495 18048 287 1 1 . 1 1 53 53 ARG N N 53 114.500 114.500 123.083 -8.583 18048 288 1 1 . 1 1 53 53 ARG C C 53 172.000 172.000 174.962 -2.962 18048 289 1 1 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.278 -1.378 18048 290 1 1 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.755 -4.255 18048 291 1 1 . 1 1 53 53 ARG H H 53 7.200 7.200 7.204 -0.004 18048 292 1 1 . 1 1 54 54 MET N N 54 116.800 116.800 120.216 -3.416 18048 293 1 1 . 1 1 54 54 MET HA H 54 4.430 4.430 4.763 -0.333 18048 294 1 1 . 1 1 54 54 MET C C 54 172.600 172.600 176.298 -3.698 18048 295 1 1 . 1 1 54 54 MET CA C 54 52.800 52.800 55.834 -3.034 18048 296 1 1 . 1 1 54 54 MET CB C 54 31.500 31.500 33.383 -1.883 18048 297 1 1 . 1 1 54 54 MET H H 54 6.770 6.770 7.735 -0.965 18048 298 1 1 . 1 1 55 55 THR N N 55 110.800 110.800 116.497 -5.697 18048 299 1 1 . 1 1 55 55 THR HA H 55 4.280 4.280 4.570 -0.290 18048 300 1 1 . 1 1 55 55 THR C C 55 171.800 171.800 174.013 -2.213 18048 301 1 1 . 1 1 55 55 THR CA C 55 58.400 58.400 62.098 -3.698 18048 302 1 1 . 1 1 55 55 THR CB C 55 67.400 67.400 69.825 -2.425 18048 303 1 1 . 1 1 55 55 THR H H 55 8.480 8.480 8.644 -0.164 18048 304 1 1 . 1 1 56 56 ASP N N 56 123.800 123.800 124.229 -0.429 18048 305 1 1 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.751 -0.271 18048 306 1 1 . 1 1 56 56 ASP C C 56 173.200 173.200 176.132 -2.932 18048 307 1 1 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.411 -2.811 18048 308 1 1 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.244 -2.144 18048 309 1 1 . 1 1 56 56 ASP H H 56 7.450 7.450 8.342 -0.892 18048 310 1 1 . 1 1 57 57 GLN N N 57 126.600 126.600 124.299 2.301 18048 311 1 1 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.009 -0.209 18048 312 1 1 . 1 1 57 57 GLN C C 57 175.400 175.400 177.169 -1.769 18048 313 1 1 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.184 -2.584 18048 314 1 1 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.816 -3.216 18048 315 1 1 . 1 1 57 57 GLN H H 57 8.880 8.880 8.840 0.040 18048 316 1 1 . 1 1 58 58 GLU N N 58 119.400 119.400 118.958 0.442 18048 317 1 1 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.117 -0.138 18048 318 1 1 . 1 1 58 58 GLU C C 58 175.900 175.900 178.050 -2.150 18048 319 1 1 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.957 -2.057 18048 320 1 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.602 -2.302 18048 321 1 1 . 1 1 58 58 GLU H H 58 8.220 8.220 8.777 -0.557 18048 322 1 1 . 1 1 59 59 ALA N N 59 123.300 123.300 122.271 1.029 18048 323 1 1 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.237 -0.137 18048 324 1 1 . 1 1 59 59 ALA C C 59 177.400 177.400 179.888 -2.488 18048 325 1 1 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.520 -2.620 18048 326 1 1 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.471 -2.571 18048 327 1 1 . 1 1 59 59 ALA H H 59 7.710 7.710 7.590 0.120 18048 328 1 1 . 1 1 60 60 ILE N N 60 117.300 117.300 120.087 -2.787 18048 329 1 1 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.685 -0.185 18048 330 1 1 . 1 1 60 60 ILE C C 60 175.100 175.100 178.169 -3.069 18048 331 1 1 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.480 -1.679 18048 332 1 1 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.102 -3.302 18048 333 1 1 . 1 1 60 60 ILE H H 60 8.130 8.130 8.355 -0.225 18048 334 1 1 . 1 1 61 61 GLN N N 61 118.800 118.800 118.788 0.012 18048 335 1 1 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.236 -0.056 18048 336 1 1 . 1 1 61 61 GLN C C 61 175.900 175.900 178.107 -2.207 18048 337 1 1 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.754 -2.454 18048 338 1 1 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.852 -2.852 18048 339 1 1 . 1 1 61 61 GLN H H 61 8.000 8.000 8.514 -0.514 18048 340 1 1 . 1 1 62 62 ASP N N 62 121.000 121.000 121.449 -0.449 18048 341 1 1 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.450 -0.060 18048 342 1 1 . 1 1 62 62 ASP C C 62 177.200 177.200 178.625 -1.425 18048 343 1 1 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.441 -2.441 18048 344 1 1 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.119 -3.219 18048 345 1 1 . 1 1 62 62 ASP H H 62 8.020 8.020 8.086 -0.066 18048 346 1 1 . 1 1 63 63 LEU N N 63 120.700 120.700 121.621 -0.921 18048 347 1 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.530 -0.330 18048 348 1 1 . 1 1 63 63 LEU C C 63 175.600 175.600 178.230 -2.630 18048 349 1 1 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.033 -2.633 18048 350 1 1 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.782 -2.382 18048 351 1 1 . 1 1 63 63 LEU H H 63 8.220 8.220 8.264 -0.044 18048 352 1 1 . 1 1 64 64 TRP N N 64 122.400 122.400 121.309 1.091 18048 353 1 1 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.031 -0.001 18048 354 1 1 . 1 1 64 64 TRP C C 64 173.500 173.500 177.986 -4.486 18048 355 1 1 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.593 -4.393 18048 356 1 1 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.698 -2.898 18048 357 1 1 . 1 1 64 64 TRP H H 64 8.890 8.890 8.983 -0.093 18048 358 1 1 . 1 1 65 65 GLN N N 65 116.700 116.700 117.254 -0.554 18048 359 1 1 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.785 -0.495 18048 360 1 1 . 1 1 65 65 GLN C C 65 176.200 176.200 178.221 -2.021 18048 361 1 1 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.995 -3.095 18048 362 1 1 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.899 -3.199 18048 363 1 1 . 1 1 65 65 GLN H H 65 8.310 8.310 8.289 0.021 18048 364 1 1 . 1 1 66 66 TRP N N 66 119.500 119.500 121.193 -1.693 18048 365 1 1 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.413 -0.403 18048 366 1 1 . 1 1 66 66 TRP C C 66 175.100 175.100 176.997 -1.897 18048 367 1 1 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.020 -1.920 18048 368 1 1 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.338 -4.738 18048 369 1 1 . 1 1 66 66 TRP H H 66 7.750 7.750 7.992 -0.242 18048 370 1 1 . 1 1 67 67 ARG N N 67 122.300 122.300 117.464 4.836 18048 371 1 1 . 1 1 67 67 ARG HA H 67 4.050 4.050 3.946 0.104 18048 372 1 1 . 1 1 67 67 ARG C C 67 177.800 177.800 177.877 -0.077 18048 373 1 1 . 1 1 67 67 ARG CA C 67 56.500 56.500 57.577 -1.077 18048 374 1 1 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.100 -4.800 18048 375 1 1 . 1 1 67 67 ARG H H 67 8.640 8.640 8.077 0.563 18048 376 1 1 . 1 1 68 68 LYS N N 68 118.400 118.400 117.912 0.488 18048 377 1 1 . 1 1 68 68 LYS HA H 68 3.390 3.390 3.930 -0.540 18048 378 1 1 . 1 1 68 68 LYS C C 68 173.800 173.800 178.015 -4.215 18048 379 1 1 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.851 -2.351 18048 380 1 1 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.397 -4.397 18048 381 1 1 . 1 1 68 68 LYS H H 68 7.860 7.860 7.719 0.141 18048 382 1 1 . 1 1 69 69 SER N N 69 114.500 114.500 115.937 -1.437 18048 383 1 1 . 1 1 69 69 SER HA H 69 4.200 4.200 4.336 -0.136 18048 384 1 1 . 1 1 69 69 SER C C 69 170.300 170.300 173.631 -3.331 18048 385 1 1 . 1 1 69 69 SER CA C 69 55.700 55.700 59.053 -3.353 18048 386 1 1 . 1 1 69 69 SER CB C 69 61.500 61.500 61.996 -0.496 18048 387 1 1 . 1 1 69 69 SER H H 69 7.060 7.060 7.781 -0.721 18048 388 1 2 . 1 1 2 2 GLU N N 2 122.400 122.400 120.885 1.515 18048 389 1 2 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.773 -0.643 18048 390 1 2 . 1 1 2 2 GLU C C 2 173.800 173.800 175.088 -1.288 18048 391 1 2 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.187 -2.087 18048 392 1 2 . 1 1 2 2 GLU CB C 2 27.300 27.300 31.569 -4.269 18048 393 1 2 . 1 1 2 2 GLU H H 2 8.490 8.490 8.572 -0.082 18048 394 1 2 . 1 1 3 3 SER N N 3 116.300 116.300 115.843 0.457 18048 395 1 2 . 1 1 3 3 SER HA H 3 4.240 4.240 4.335 -0.095 18048 396 1 2 . 1 1 3 3 SER C C 3 171.500 171.500 173.413 -1.913 18048 397 1 2 . 1 1 3 3 SER CA C 3 55.800 55.800 58.170 -2.370 18048 398 1 2 . 1 1 3 3 SER CB C 3 60.900 60.900 63.714 -2.814 18048 399 1 2 . 1 1 3 3 SER H H 3 8.210 8.210 8.497 -0.287 18048 400 1 2 . 1 1 4 4 PHE N N 4 121.700 121.700 120.401 1.299 18048 401 1 2 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.756 -0.276 18048 402 1 2 . 1 1 4 4 PHE C C 4 172.800 172.800 175.194 -2.394 18048 403 1 2 . 1 1 4 4 PHE CA C 4 55.000 55.000 57.597 -2.598 18048 404 1 2 . 1 1 4 4 PHE CB C 4 36.500 36.500 40.694 -4.194 18048 405 1 2 . 1 1 4 4 PHE H H 4 8.040 8.040 7.733 0.307 18048 406 1 2 . 1 1 5 5 LYS N N 5 122.600 122.600 122.487 0.113 18048 407 1 2 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.399 -0.279 18048 408 1 2 . 1 1 5 5 LYS C C 5 173.400 173.400 176.321 -2.921 18048 409 1 2 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.743 -3.343 18048 410 1 2 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.681 -3.581 18048 411 1 2 . 1 1 5 5 LYS H H 5 7.990 7.990 8.697 -0.707 18048 412 1 2 . 1 1 6 6 LYS N N 6 122.800 122.800 118.661 4.139 18048 413 1 2 . 1 1 6 6 LYS C C 6 173.700 173.700 175.413 -1.713 18048 414 1 2 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.115 -2.415 18048 415 1 2 . 1 1 6 6 LYS H H 6 8.160 8.160 7.717 0.443 18048 416 1 2 . 1 1 7 7 GLN N N 7 120.800 120.800 120.010 0.790 18048 417 1 2 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.374 0.156 18048 418 1 2 . 1 1 7 7 GLN C C 7 173.600 173.600 175.230 -1.630 18048 419 1 2 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.142 -2.442 18048 420 1 2 . 1 1 7 7 GLN CB C 7 27.300 27.300 30.143 -2.843 18048 421 1 2 . 1 1 7 7 GLN H H 7 8.240 8.240 8.562 -0.322 18048 422 1 2 . 1 1 8 8 GLU N N 8 121.400 121.400 118.886 2.514 18048 423 1 2 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.605 -0.405 18048 424 1 2 . 1 1 8 8 GLU C C 8 173.100 173.100 175.503 -2.403 18048 425 1 2 . 1 1 8 8 GLU CA C 8 52.900 52.900 55.842 -2.942 18048 426 1 2 . 1 1 8 8 GLU CB C 8 27.600 27.600 31.018 -3.418 18048 427 1 2 . 1 1 8 8 GLU H H 8 8.270 8.270 7.807 0.463 18048 428 1 2 . 1 1 9 9 LYS N N 9 123.000 123.000 119.043 3.957 18048 429 1 2 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.316 -0.076 18048 430 1 2 . 1 1 9 9 LYS C C 9 173.700 173.700 175.975 -2.275 18048 431 1 2 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.716 -3.216 18048 432 1 2 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.719 -2.619 18048 433 1 2 . 1 1 9 9 LYS H H 9 8.390 8.390 8.643 -0.253 18048 434 1 2 . 1 1 10 10 THR N N 10 117.900 117.900 115.659 2.241 18048 435 1 2 . 1 1 10 10 THR HA H 10 4.450 4.450 4.189 0.261 18048 436 1 2 . 1 1 10 10 THR C C 10 170.000 170.000 173.209 -3.209 18048 437 1 2 . 1 1 10 10 THR CA C 10 57.000 57.000 62.470 -5.470 18048 438 1 2 . 1 1 10 10 THR CB C 10 66.800 66.800 67.673 -0.873 18048 439 1 2 . 1 1 10 10 THR H H 10 8.140 8.140 8.000 0.140 18048 440 1 2 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.326 -0.016 18048 441 1 2 . 1 1 11 11 PRO C C 11 173.800 173.800 177.021 -3.221 18048 442 1 2 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.333 -2.933 18048 443 1 2 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.259 -2.959 18048 444 1 2 . 1 1 12 12 LYS N N 12 121.700 121.700 118.131 3.569 18048 445 1 2 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.133 0.077 18048 446 1 2 . 1 1 12 12 LYS CA C 12 53.500 53.500 57.402 -3.902 18048 447 1 2 . 1 1 12 12 LYS CB C 12 30.200 30.200 29.633 0.567 18048 448 1 2 . 1 1 12 12 LYS H H 12 8.380 8.380 8.465 -0.085 18048 449 1 2 . 1 1 13 13 THR N N 13 115.600 115.600 115.718 -0.118 18048 450 1 2 . 1 1 13 13 THR HA H 13 4.360 4.360 4.603 -0.243 18048 451 1 2 . 1 1 13 13 THR C C 13 169.800 169.800 172.761 -2.961 18048 452 1 2 . 1 1 13 13 THR CA C 13 55.800 55.800 60.170 -4.370 18048 453 1 2 . 1 1 13 13 THR CB C 13 67.800 67.800 69.327 -1.527 18048 454 1 2 . 1 1 13 13 THR H H 13 7.940 7.940 7.818 0.122 18048 455 1 2 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.669 -0.279 18048 456 1 2 . 1 1 14 14 PRO C C 14 174.000 174.000 176.778 -2.778 18048 457 1 2 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.458 -2.158 18048 458 1 2 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.647 -3.447 18048 459 1 2 . 1 1 15 15 LYS N N 15 121.700 121.700 120.099 1.601 18048 460 1 2 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.547 -0.337 18048 461 1 2 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.553 -3.054 18048 462 1 2 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.284 -3.984 18048 463 1 2 . 1 1 15 15 LYS H H 15 8.360 8.360 8.460 -0.100 18048 464 1 2 . 1 1 16 16 GLY N N 16 110.100 110.100 111.803 -1.703 18048 465 1 2 . 1 1 16 16 GLY C C 16 168.900 168.900 172.000 -3.100 18048 466 1 2 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.785 -3.084 18048 467 1 2 . 1 1 16 16 GLY H H 16 8.220 8.220 8.229 -0.009 18048 468 1 2 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.728 -0.348 18048 469 1 2 . 1 1 17 17 PRO C C 17 174.600 174.600 177.251 -2.651 18048 470 1 2 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.194 -1.694 18048 471 1 2 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.546 -3.146 18048 472 1 2 . 1 1 18 18 SER N N 18 116.500 116.500 117.454 -0.954 18048 473 1 2 . 1 1 18 18 SER HA H 18 4.420 4.420 4.505 -0.085 18048 474 1 2 . 1 1 18 18 SER C C 18 171.300 171.300 174.981 -3.681 18048 475 1 2 . 1 1 18 18 SER CA C 18 55.900 55.900 60.626 -4.726 18048 476 1 2 . 1 1 18 18 SER CB C 18 61.400 61.400 63.373 -1.973 18048 477 1 2 . 1 1 18 18 SER H H 18 8.520 8.520 8.696 -0.176 18048 478 1 2 . 1 1 19 19 SER N N 19 117.700 117.700 116.824 0.876 18048 479 1 2 . 1 1 19 19 SER HA H 19 4.370 4.370 4.798 -0.428 18048 480 1 2 . 1 1 19 19 SER C C 19 172.600 172.600 174.597 -1.997 18048 481 1 2 . 1 1 19 19 SER CA C 19 55.500 55.500 57.497 -1.997 18048 482 1 2 . 1 1 19 19 SER CB C 19 61.400 61.400 62.988 -1.588 18048 483 1 2 . 1 1 19 19 SER H H 19 8.490 8.490 8.026 0.464 18048 484 1 2 . 1 1 20 20 VAL N N 20 120.500 120.500 122.911 -2.411 18048 485 1 2 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.652 -0.162 18048 486 1 2 . 1 1 20 20 VAL C C 20 174.300 174.300 176.399 -2.099 18048 487 1 2 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.412 -1.912 18048 488 1 2 . 1 1 20 20 VAL CB C 20 28.900 28.900 30.700 -1.800 18048 489 1 2 . 1 1 20 20 VAL H H 20 8.310 8.310 9.105 -0.795 18048 490 1 2 . 1 1 21 21 GLU N N 21 118.700 118.700 119.147 -0.447 18048 491 1 2 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.907 -0.277 18048 492 1 2 . 1 1 21 21 GLU C C 21 176.300 176.300 177.803 -1.503 18048 493 1 2 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.493 -1.593 18048 494 1 2 . 1 1 21 21 GLU CB C 21 25.900 25.900 29.247 -3.347 18048 495 1 2 . 1 1 21 21 GLU H H 21 8.110 8.110 8.130 -0.020 18048 496 1 2 . 1 1 22 22 ASP N N 22 120.400 120.400 121.325 -0.925 18048 497 1 2 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.148 0.112 18048 498 1 2 . 1 1 22 22 ASP C C 22 175.600 175.600 177.362 -1.762 18048 499 1 2 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.503 -3.303 18048 500 1 2 . 1 1 22 22 ASP CB C 22 37.900 37.900 39.899 -1.999 18048 501 1 2 . 1 1 22 22 ASP H H 22 7.810 7.810 7.704 0.106 18048 502 1 2 . 1 1 23 23 ILE N N 23 120.900 120.900 120.255 0.645 18048 503 1 2 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.599 -0.499 18048 504 1 2 . 1 1 23 23 ILE C C 23 175.100 175.100 177.482 -2.382 18048 505 1 2 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.242 -1.942 18048 506 1 2 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.653 -3.353 18048 507 1 2 . 1 1 23 23 ILE H H 23 7.670 7.670 7.664 0.006 18048 508 1 2 . 1 1 24 24 LYS N N 24 120.000 120.000 120.601 -0.601 18048 509 1 2 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.762 -0.672 18048 510 1 2 . 1 1 24 24 LYS C C 24 175.400 175.400 178.246 -2.846 18048 511 1 2 . 1 1 24 24 LYS CA C 24 57.400 57.400 58.689 -1.289 18048 512 1 2 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.353 -1.753 18048 513 1 2 . 1 1 24 24 LYS H H 24 8.060 8.060 7.728 0.332 18048 514 1 2 . 1 1 25 25 ALA N N 25 119.000 119.000 121.517 -2.517 18048 515 1 2 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.041 -0.011 18048 516 1 2 . 1 1 25 25 ALA C C 25 178.700 178.700 179.927 -1.227 18048 517 1 2 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.123 -2.823 18048 518 1 2 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.247 -3.547 18048 519 1 2 . 1 1 25 25 ALA H H 25 7.410 7.410 7.802 -0.392 18048 520 1 2 . 1 1 26 26 LYS N N 26 120.100 120.100 118.704 1.396 18048 521 1 2 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.053 -0.003 18048 522 1 2 . 1 1 26 26 LYS C C 26 177.600 177.600 178.958 -1.358 18048 523 1 2 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.669 -2.070 18048 524 1 2 . 1 1 26 26 LYS CB C 26 29.600 29.600 31.907 -2.307 18048 525 1 2 . 1 1 26 26 LYS H H 26 7.760 7.760 8.403 -0.643 18048 526 1 2 . 1 1 27 27 MET N N 27 120.900 120.900 119.269 1.631 18048 527 1 2 . 1 1 27 27 MET HA H 27 4.220 4.220 4.110 0.110 18048 528 1 2 . 1 1 27 27 MET C C 27 175.900 175.900 177.780 -1.880 18048 529 1 2 . 1 1 27 27 MET CA C 27 58.000 58.000 59.668 -1.668 18048 530 1 2 . 1 1 27 27 MET CB C 27 30.600 30.600 32.376 -1.776 18048 531 1 2 . 1 1 27 27 MET H H 27 8.620 8.620 8.393 0.227 18048 532 1 2 . 1 1 28 28 GLN N N 28 119.700 119.700 118.683 1.017 18048 533 1 2 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.029 0.011 18048 534 1 2 . 1 1 28 28 GLN C C 28 175.500 175.500 178.403 -2.903 18048 535 1 2 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.188 -1.488 18048 536 1 2 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.545 -1.845 18048 537 1 2 . 1 1 28 28 GLN H H 28 8.970 8.970 7.813 1.157 18048 538 1 2 . 1 1 29 29 ALA N N 29 120.900 120.900 122.780 -1.880 18048 539 1 2 . 1 1 29 29 ALA HA H 29 4.160 4.160 3.966 0.194 18048 540 1 2 . 1 1 29 29 ALA C C 29 177.500 177.500 179.855 -2.355 18048 541 1 2 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.106 -3.006 18048 542 1 2 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.173 -3.373 18048 543 1 2 . 1 1 29 29 ALA H H 29 7.940 7.940 8.221 -0.281 18048 544 1 2 . 1 1 30 30 SER N N 30 112.900 112.900 115.300 -2.400 18048 545 1 2 . 1 1 30 30 SER HA H 30 4.180 4.180 4.143 0.037 18048 546 1 2 . 1 1 30 30 SER CA C 30 58.900 58.900 62.925 -4.025 18048 547 1 2 . 1 1 30 30 SER CB C 30 60.000 60.000 63.046 -3.046 18048 548 1 2 . 1 1 30 30 SER H H 30 7.780 7.780 8.104 -0.324 18048 549 1 2 . 1 1 31 31 ILE N N 31 122.000 122.000 120.127 1.873 18048 550 1 2 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.865 -0.015 18048 551 1 2 . 1 1 31 31 ILE C C 31 173.900 173.900 176.682 -2.782 18048 552 1 2 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.123 -1.623 18048 553 1 2 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.018 -3.118 18048 554 1 2 . 1 1 31 31 ILE H H 31 7.940 7.940 8.180 -0.240 18048 555 1 2 . 1 1 32 32 GLU N N 32 121.800 121.800 118.041 3.759 18048 556 1 2 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.233 -0.203 18048 557 1 2 . 1 1 32 32 GLU C C 32 175.200 175.200 177.763 -2.563 18048 558 1 2 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.808 -1.508 18048 559 1 2 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.184 -3.684 18048 560 1 2 . 1 1 32 32 GLU H H 32 8.140 8.140 7.747 0.393 18048 561 1 2 . 1 1 33 33 LYS N N 33 116.200 116.200 117.197 -0.997 18048 562 1 2 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.424 -0.044 18048 563 1 2 . 1 1 33 33 LYS C C 33 173.800 173.800 177.358 -3.558 18048 564 1 2 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.921 -4.021 18048 565 1 2 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.760 -4.260 18048 566 1 2 . 1 1 33 33 LYS H H 33 7.350 7.350 8.313 -0.963 18048 567 1 2 . 1 1 34 34 GLY N N 34 107.400 107.400 105.502 1.898 18048 568 1 2 . 1 1 34 34 GLY C C 34 172.400 172.400 175.031 -2.631 18048 569 1 2 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.265 -2.665 18048 570 1 2 . 1 1 34 34 GLY H H 34 7.830 7.830 7.992 -0.162 18048 571 1 2 . 1 1 35 35 GLY N N 35 109.200 109.200 110.560 -1.360 18048 572 1 2 . 1 1 35 35 GLY C C 35 169.500 169.500 175.461 -5.961 18048 573 1 2 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.258 -3.658 18048 574 1 2 . 1 1 35 35 GLY H H 35 8.330 8.330 8.595 -0.265 18048 575 1 2 . 1 1 36 36 SER N N 36 112.700 112.700 117.388 -4.688 18048 576 1 2 . 1 1 36 36 SER HA H 36 4.610 4.610 4.545 0.065 18048 577 1 2 . 1 1 36 36 SER C C 36 171.000 171.000 174.006 -3.006 18048 578 1 2 . 1 1 36 36 SER CA C 36 54.000 54.000 57.712 -3.712 18048 579 1 2 . 1 1 36 36 SER CB C 36 62.300 62.300 62.503 -0.203 18048 580 1 2 . 1 1 36 36 SER H H 36 8.150 8.150 8.382 -0.232 18048 581 1 2 . 1 1 37 37 LEU N N 37 122.700 122.700 124.323 -1.623 18048 582 1 2 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.458 -0.298 18048 583 1 2 . 1 1 37 37 LEU C C 37 173.600 173.600 175.443 -1.843 18048 584 1 2 . 1 1 37 37 LEU CA C 37 53.400 53.400 51.817 1.583 18048 585 1 2 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.597 -0.097 18048 586 1 2 . 1 1 37 37 LEU H H 37 8.380 8.380 7.588 0.792 18048 587 1 2 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.541 -0.271 18048 588 1 2 . 1 1 38 38 PRO C C 38 174.400 174.400 176.537 -2.137 18048 589 1 2 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.837 -1.438 18048 590 1 2 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.527 -2.727 18048 591 1 2 . 1 1 39 39 LYS N N 39 122.300 122.300 119.694 2.606 18048 592 1 2 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.346 0.034 18048 593 1 2 . 1 1 39 39 LYS C C 39 172.300 172.300 176.258 -3.958 18048 594 1 2 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.822 -3.122 18048 595 1 2 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.223 -1.923 18048 596 1 2 . 1 1 39 39 LYS H H 39 8.920 8.920 8.444 0.476 18048 597 1 2 . 1 1 40 40 VAL N N 40 118.500 118.500 119.980 -1.480 18048 598 1 2 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.386 -0.106 18048 599 1 2 . 1 1 40 40 VAL C C 40 173.600 173.600 175.507 -1.907 18048 600 1 2 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.543 -2.443 18048 601 1 2 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.150 -2.750 18048 602 1 2 . 1 1 40 40 VAL H H 40 7.000 7.000 7.501 -0.501 18048 603 1 2 . 1 1 41 41 GLU N N 41 131.800 131.800 128.051 3.749 18048 604 1 2 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.593 0.357 18048 605 1 2 . 1 1 41 41 GLU C C 41 174.700 174.700 177.220 -2.520 18048 606 1 2 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.301 -1.601 18048 607 1 2 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.675 -1.575 18048 608 1 2 . 1 1 41 41 GLU H H 41 8.820 8.820 8.954 -0.134 18048 609 1 2 . 1 1 42 42 ALA N N 42 117.700 117.700 122.019 -4.319 18048 610 1 2 . 1 1 42 42 ALA HA H 42 3.790 3.790 3.995 -0.205 18048 611 1 2 . 1 1 42 42 ALA C C 42 178.000 178.000 179.766 -1.766 18048 612 1 2 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.988 -2.088 18048 613 1 2 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.134 -2.735 18048 614 1 2 . 1 1 42 42 ALA H H 42 8.630 8.630 8.351 0.279 18048 615 1 2 . 1 1 43 43 LYS N N 43 113.500 113.500 119.054 -5.554 18048 616 1 2 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.127 -0.037 18048 617 1 2 . 1 1 43 43 LYS C C 43 176.600 176.600 178.966 -2.366 18048 618 1 2 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.562 -3.362 18048 619 1 2 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.184 -2.184 18048 620 1 2 . 1 1 43 43 LYS H H 43 6.530 6.530 7.660 -1.130 18048 621 1 2 . 1 1 44 44 PHE N N 44 123.600 123.600 121.964 1.636 18048 622 1 2 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.278 -0.338 18048 623 1 2 . 1 1 44 44 PHE C C 44 173.300 173.300 177.301 -4.001 18048 624 1 2 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.808 -1.508 18048 625 1 2 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.282 -2.582 18048 626 1 2 . 1 1 44 44 PHE H H 44 8.610 8.610 8.010 0.600 18048 627 1 2 . 1 1 45 45 ILE N N 45 119.600 119.600 119.523 0.077 18048 628 1 2 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.451 -0.081 18048 629 1 2 . 1 1 45 45 ILE C C 45 174.700 174.700 177.461 -2.761 18048 630 1 2 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.880 -2.380 18048 631 1 2 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.532 -2.532 18048 632 1 2 . 1 1 45 45 ILE H H 45 8.690 8.690 8.685 0.005 18048 633 1 2 . 1 1 46 46 ASN N N 46 115.900 115.900 118.242 -2.342 18048 634 1 2 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.280 -0.030 18048 635 1 2 . 1 1 46 46 ASN C C 46 173.800 173.800 177.252 -3.452 18048 636 1 2 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.387 -2.587 18048 637 1 2 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.343 -2.743 18048 638 1 2 . 1 1 46 46 ASN H H 46 7.320 7.320 8.063 -0.743 18048 639 1 2 . 1 1 47 47 TYR N N 47 120.900 120.900 120.655 0.245 18048 640 1 2 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.107 0.183 18048 641 1 2 . 1 1 47 47 TYR C C 47 174.400 174.400 177.599 -3.199 18048 642 1 2 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.857 -3.657 18048 643 1 2 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.565 -2.765 18048 644 1 2 . 1 1 47 47 TYR H H 47 7.840 7.840 8.049 -0.209 18048 645 1 2 . 1 1 48 48 VAL N N 48 117.800 117.800 119.443 -1.643 18048 646 1 2 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.485 -0.015 18048 647 1 2 . 1 1 48 48 VAL C C 48 176.300 176.300 177.856 -1.556 18048 648 1 2 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.767 -2.967 18048 649 1 2 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.318 -2.918 18048 650 1 2 . 1 1 48 48 VAL H H 48 8.260 8.260 8.195 0.065 18048 651 1 2 . 1 1 49 49 LYS N N 49 119.700 119.700 119.001 0.699 18048 652 1 2 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.126 -0.176 18048 653 1 2 . 1 1 49 49 LYS C C 49 176.400 176.400 179.486 -3.086 18048 654 1 2 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.420 -1.820 18048 655 1 2 . 1 1 49 49 LYS CB C 49 29.900 29.900 31.995 -2.095 18048 656 1 2 . 1 1 49 49 LYS H H 49 8.070 8.070 8.116 -0.046 18048 657 1 2 . 1 1 50 50 ASN N N 50 115.600 115.600 117.635 -2.035 18048 658 1 2 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.515 -0.165 18048 659 1 2 . 1 1 50 50 ASN C C 50 174.100 174.100 176.677 -2.577 18048 660 1 2 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.622 -2.622 18048 661 1 2 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.871 -2.571 18048 662 1 2 . 1 1 50 50 ASN H H 50 8.080 8.080 7.808 0.272 18048 663 1 2 . 1 1 51 51 CYS N N 51 115.800 115.800 118.513 -2.713 18048 664 1 2 . 1 1 51 51 CYS C C 51 172.800 172.800 174.628 -1.828 18048 665 1 2 . 1 1 51 51 CYS CA C 51 58.800 58.800 60.179 -1.379 18048 666 1 2 . 1 1 51 51 CYS CB C 51 24.200 24.200 29.125 -4.925 18048 667 1 2 . 1 1 51 51 CYS H H 51 8.480 8.480 8.046 0.434 18048 668 1 2 . 1 1 52 52 PHE N N 52 112.700 112.700 118.530 -5.830 18048 669 1 2 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.601 0.019 18048 670 1 2 . 1 1 52 52 PHE C C 52 171.900 171.900 174.380 -2.480 18048 671 1 2 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.097 -2.497 18048 672 1 2 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.588 -4.688 18048 673 1 2 . 1 1 52 52 PHE H H 52 7.230 7.230 7.925 -0.695 18048 674 1 2 . 1 1 53 53 ARG N N 53 114.500 114.500 115.958 -1.458 18048 675 1 2 . 1 1 53 53 ARG C C 53 172.000 172.000 175.066 -3.066 18048 676 1 2 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.620 -2.720 18048 677 1 2 . 1 1 53 53 ARG CB C 53 23.500 23.500 26.887 -3.386 18048 678 1 2 . 1 1 53 53 ARG H H 53 7.200 7.200 7.785 -0.585 18048 679 1 2 . 1 1 54 54 MET N N 54 116.800 116.800 118.434 -1.634 18048 680 1 2 . 1 1 54 54 MET HA H 54 4.430 4.430 4.220 0.210 18048 681 1 2 . 1 1 54 54 MET C C 54 172.600 172.600 176.703 -4.103 18048 682 1 2 . 1 1 54 54 MET CA C 54 52.800 52.800 56.887 -4.087 18048 683 1 2 . 1 1 54 54 MET CB C 54 31.500 31.500 33.192 -1.692 18048 684 1 2 . 1 1 54 54 MET H H 54 6.770 6.770 7.903 -1.133 18048 685 1 2 . 1 1 55 55 THR N N 55 110.800 110.800 114.442 -3.642 18048 686 1 2 . 1 1 55 55 THR HA H 55 4.280 4.280 4.399 -0.119 18048 687 1 2 . 1 1 55 55 THR C C 55 171.800 171.800 174.005 -2.205 18048 688 1 2 . 1 1 55 55 THR CA C 55 58.400 58.400 63.096 -4.697 18048 689 1 2 . 1 1 55 55 THR CB C 55 67.400 67.400 69.504 -2.103 18048 690 1 2 . 1 1 55 55 THR H H 55 8.480 8.480 8.407 0.073 18048 691 1 2 . 1 1 56 56 ASP N N 56 123.800 123.800 125.469 -1.669 18048 692 1 2 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.622 -0.142 18048 693 1 2 . 1 1 56 56 ASP C C 56 173.200 173.200 176.755 -3.555 18048 694 1 2 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.644 -3.044 18048 695 1 2 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.087 -0.987 18048 696 1 2 . 1 1 56 56 ASP H H 56 7.450 7.450 8.282 -0.832 18048 697 1 2 . 1 1 57 57 GLN N N 57 126.600 126.600 125.035 1.565 18048 698 1 2 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.965 -0.165 18048 699 1 2 . 1 1 57 57 GLN C C 57 175.400 175.400 177.550 -2.150 18048 700 1 2 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.847 -2.247 18048 701 1 2 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.561 -2.961 18048 702 1 2 . 1 1 57 57 GLN H H 57 8.880 8.880 8.530 0.350 18048 703 1 2 . 1 1 58 58 GLU N N 58 119.400 119.400 117.519 1.881 18048 704 1 2 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.152 -0.172 18048 705 1 2 . 1 1 58 58 GLU C C 58 175.900 175.900 178.338 -2.438 18048 706 1 2 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.172 -2.272 18048 707 1 2 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.887 -2.587 18048 708 1 2 . 1 1 58 58 GLU H H 58 8.220 8.220 8.886 -0.666 18048 709 1 2 . 1 1 59 59 ALA N N 59 123.300 123.300 122.474 0.826 18048 710 1 2 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.366 -0.266 18048 711 1 2 . 1 1 59 59 ALA C C 59 177.400 177.400 179.859 -2.459 18048 712 1 2 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.515 -2.615 18048 713 1 2 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.898 -2.998 18048 714 1 2 . 1 1 59 59 ALA H H 59 7.710 7.710 7.882 -0.172 18048 715 1 2 . 1 1 60 60 ILE N N 60 117.300 117.300 120.242 -2.942 18048 716 1 2 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.848 -0.348 18048 717 1 2 . 1 1 60 60 ILE C C 60 175.100 175.100 178.164 -3.064 18048 718 1 2 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.411 -1.611 18048 719 1 2 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.162 -3.362 18048 720 1 2 . 1 1 60 60 ILE H H 60 8.130 8.130 8.468 -0.338 18048 721 1 2 . 1 1 61 61 GLN N N 61 118.800 118.800 119.001 -0.201 18048 722 1 2 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.294 -0.114 18048 723 1 2 . 1 1 61 61 GLN C C 61 175.900 175.900 177.890 -1.990 18048 724 1 2 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.785 -2.485 18048 725 1 2 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.859 -2.859 18048 726 1 2 . 1 1 61 61 GLN H H 61 8.000 8.000 8.637 -0.637 18048 727 1 2 . 1 1 62 62 ASP N N 62 121.000 121.000 121.673 -0.673 18048 728 1 2 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.439 -0.049 18048 729 1 2 . 1 1 62 62 ASP C C 62 177.200 177.200 178.652 -1.452 18048 730 1 2 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.571 -2.571 18048 731 1 2 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.052 -3.152 18048 732 1 2 . 1 1 62 62 ASP H H 62 8.020 8.020 8.051 -0.031 18048 733 1 2 . 1 1 63 63 LEU N N 63 120.700 120.700 121.186 -0.486 18048 734 1 2 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.515 -0.315 18048 735 1 2 . 1 1 63 63 LEU C C 63 175.600 175.600 178.637 -3.037 18048 736 1 2 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.199 -2.799 18048 737 1 2 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.631 -2.231 18048 738 1 2 . 1 1 63 63 LEU H H 63 8.220 8.220 8.286 -0.066 18048 739 1 2 . 1 1 64 64 TRP N N 64 122.400 122.400 121.755 0.645 18048 740 1 2 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.025 0.005 18048 741 1 2 . 1 1 64 64 TRP C C 64 173.500 173.500 178.417 -4.917 18048 742 1 2 . 1 1 64 64 TRP CA C 64 56.200 56.200 62.043 -5.843 18048 743 1 2 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.011 -2.211 18048 744 1 2 . 1 1 64 64 TRP H H 64 8.890 8.890 8.800 0.090 18048 745 1 2 . 1 1 65 65 GLN N N 65 116.700 116.700 118.327 -1.627 18048 746 1 2 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.815 -0.525 18048 747 1 2 . 1 1 65 65 GLN C C 65 176.200 176.200 178.301 -2.101 18048 748 1 2 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.929 -3.029 18048 749 1 2 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.842 -3.142 18048 750 1 2 . 1 1 65 65 GLN H H 65 8.310 8.310 8.755 -0.445 18048 751 1 2 . 1 1 66 66 TRP N N 66 119.500 119.500 121.962 -2.462 18048 752 1 2 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.482 -0.472 18048 753 1 2 . 1 1 66 66 TRP C C 66 175.100 175.100 177.320 -2.220 18048 754 1 2 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.613 -1.513 18048 755 1 2 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.358 -4.758 18048 756 1 2 . 1 1 66 66 TRP H H 66 7.750 7.750 8.530 -0.780 18048 757 1 2 . 1 1 67 67 ARG N N 67 122.300 122.300 118.334 3.966 18048 758 1 2 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.209 -0.159 18048 759 1 2 . 1 1 67 67 ARG C C 67 177.800 177.800 177.058 0.742 18048 760 1 2 . 1 1 67 67 ARG CA C 67 56.500 56.500 57.393 -0.893 18048 761 1 2 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.154 -3.854 18048 762 1 2 . 1 1 67 67 ARG H H 67 8.640 8.640 8.103 0.537 18048 763 1 2 . 1 1 68 68 LYS N N 68 118.400 118.400 120.757 -2.357 18048 764 1 2 . 1 1 68 68 LYS HA H 68 3.390 3.390 3.983 -0.593 18048 765 1 2 . 1 1 68 68 LYS C C 68 173.800 173.800 178.038 -4.238 18048 766 1 2 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.193 -2.693 18048 767 1 2 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.489 -4.489 18048 768 1 2 . 1 1 68 68 LYS H H 68 7.860 7.860 7.358 0.502 18048 769 1 2 . 1 1 69 69 SER N N 69 114.500 114.500 113.808 0.692 18048 770 1 2 . 1 1 69 69 SER HA H 69 4.200 4.200 4.259 -0.059 18048 771 1 2 . 1 1 69 69 SER C C 69 170.300 170.300 175.209 -4.909 18048 772 1 2 . 1 1 69 69 SER CA C 69 55.700 55.700 59.691 -3.991 18048 773 1 2 . 1 1 69 69 SER CB C 69 61.500 61.500 64.010 -2.510 18048 774 1 2 . 1 1 69 69 SER H H 69 7.060 7.060 7.693 -0.633 18048 775 1 3 . 1 1 2 2 GLU N N 2 122.400 122.400 123.397 -0.997 18048 776 1 3 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.099 0.031 18048 777 1 3 . 1 1 2 2 GLU C C 2 173.800 173.800 175.797 -1.997 18048 778 1 3 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.388 -2.288 18048 779 1 3 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.127 -1.827 18048 780 1 3 . 1 1 2 2 GLU H H 2 8.490 8.490 8.680 -0.190 18048 781 1 3 . 1 1 3 3 SER N N 3 116.300 116.300 115.918 0.382 18048 782 1 3 . 1 1 3 3 SER HA H 3 4.240 4.240 4.533 -0.293 18048 783 1 3 . 1 1 3 3 SER C C 3 171.500 171.500 174.578 -3.078 18048 784 1 3 . 1 1 3 3 SER CA C 3 55.800 55.800 58.726 -2.926 18048 785 1 3 . 1 1 3 3 SER CB C 3 60.900 60.900 64.050 -3.150 18048 786 1 3 . 1 1 3 3 SER H H 3 8.210 8.210 7.646 0.564 18048 787 1 3 . 1 1 4 4 PHE N N 4 121.700 121.700 118.924 2.776 18048 788 1 3 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.161 0.319 18048 789 1 3 . 1 1 4 4 PHE C C 4 172.800 172.800 176.198 -3.398 18048 790 1 3 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.882 -3.881 18048 791 1 3 . 1 1 4 4 PHE CB C 4 36.500 36.500 38.177 -1.677 18048 792 1 3 . 1 1 4 4 PHE H H 4 8.040 8.040 7.652 0.388 18048 793 1 3 . 1 1 5 5 LYS N N 5 122.600 122.600 120.286 2.314 18048 794 1 3 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.389 -0.269 18048 795 1 3 . 1 1 5 5 LYS C C 5 173.400 173.400 176.708 -3.308 18048 796 1 3 . 1 1 5 5 LYS CA C 5 53.400 53.400 58.170 -4.770 18048 797 1 3 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.920 -2.821 18048 798 1 3 . 1 1 5 5 LYS H H 5 7.990 7.990 8.529 -0.539 18048 799 1 3 . 1 1 6 6 LYS N N 6 122.800 122.800 120.762 2.038 18048 800 1 3 . 1 1 6 6 LYS C C 6 173.700 173.700 174.684 -0.984 18048 801 1 3 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.511 -2.811 18048 802 1 3 . 1 1 6 6 LYS H H 6 8.160 8.160 7.813 0.347 18048 803 1 3 . 1 1 7 7 GLN N N 7 120.800 120.800 120.291 0.509 18048 804 1 3 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.313 0.217 18048 805 1 3 . 1 1 7 7 GLN C C 7 173.600 173.600 176.131 -2.531 18048 806 1 3 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.570 -2.870 18048 807 1 3 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.048 -1.748 18048 808 1 3 . 1 1 7 7 GLN H H 7 8.240 8.240 8.395 -0.155 18048 809 1 3 . 1 1 8 8 GLU N N 8 121.400 121.400 123.757 -2.357 18048 810 1 3 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.378 -0.178 18048 811 1 3 . 1 1 8 8 GLU C C 8 173.100 173.100 175.455 -2.355 18048 812 1 3 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.369 -3.469 18048 813 1 3 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.121 -2.521 18048 814 1 3 . 1 1 8 8 GLU H H 8 8.270 8.270 8.679 -0.409 18048 815 1 3 . 1 1 9 9 LYS N N 9 123.000 123.000 120.294 2.706 18048 816 1 3 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.036 0.204 18048 817 1 3 . 1 1 9 9 LYS C C 9 173.700 173.700 175.539 -1.839 18048 818 1 3 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.758 -3.258 18048 819 1 3 . 1 1 9 9 LYS CB C 9 30.100 30.100 30.784 -0.684 18048 820 1 3 . 1 1 9 9 LYS H H 9 8.390 8.390 8.076 0.314 18048 821 1 3 . 1 1 10 10 THR N N 10 117.900 117.900 112.017 5.883 18048 822 1 3 . 1 1 10 10 THR HA H 10 4.450 4.450 4.544 -0.094 18048 823 1 3 . 1 1 10 10 THR C C 10 170.000 170.000 173.372 -3.372 18048 824 1 3 . 1 1 10 10 THR CA C 10 57.000 57.000 60.125 -3.125 18048 825 1 3 . 1 1 10 10 THR CB C 10 66.800 66.800 68.947 -2.147 18048 826 1 3 . 1 1 10 10 THR H H 10 8.140 8.140 7.824 0.316 18048 827 1 3 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.480 -0.170 18048 828 1 3 . 1 1 11 11 PRO C C 11 173.800 173.800 176.165 -2.365 18048 829 1 3 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.302 -2.902 18048 830 1 3 . 1 1 11 11 PRO CB C 11 29.300 29.300 31.614 -2.314 18048 831 1 3 . 1 1 12 12 LYS N N 12 121.700 121.700 123.950 -2.250 18048 832 1 3 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.566 -0.356 18048 833 1 3 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.545 -3.045 18048 834 1 3 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.449 -3.249 18048 835 1 3 . 1 1 12 12 LYS H H 12 8.380 8.380 8.649 -0.269 18048 836 1 3 . 1 1 13 13 THR N N 13 115.600 115.600 117.502 -1.902 18048 837 1 3 . 1 1 13 13 THR HA H 13 4.360 4.360 4.564 -0.204 18048 838 1 3 . 1 1 13 13 THR C C 13 169.800 169.800 172.266 -2.466 18048 839 1 3 . 1 1 13 13 THR CA C 13 55.800 55.800 60.292 -4.492 18048 840 1 3 . 1 1 13 13 THR CB C 13 67.800 67.800 69.312 -1.512 18048 841 1 3 . 1 1 13 13 THR H H 13 7.940 7.940 7.842 0.098 18048 842 1 3 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.798 -0.408 18048 843 1 3 . 1 1 14 14 PRO C C 14 174.000 174.000 176.776 -2.776 18048 844 1 3 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.916 -2.616 18048 845 1 3 . 1 1 14 14 PRO CB C 14 29.200 29.200 33.444 -4.244 18048 846 1 3 . 1 1 15 15 LYS N N 15 121.700 121.700 119.434 2.266 18048 847 1 3 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.448 -0.238 18048 848 1 3 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.983 -2.483 18048 849 1 3 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.328 -3.029 18048 850 1 3 . 1 1 15 15 LYS H H 15 8.360 8.360 8.410 -0.050 18048 851 1 3 . 1 1 16 16 GLY N N 16 110.100 110.100 109.939 0.161 18048 852 1 3 . 1 1 16 16 GLY C C 16 168.900 168.900 173.024 -4.124 18048 853 1 3 . 1 1 16 16 GLY CA C 16 41.700 41.700 43.526 -1.826 18048 854 1 3 . 1 1 16 16 GLY H H 16 8.220 8.220 7.622 0.598 18048 855 1 3 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.390 -0.010 18048 856 1 3 . 1 1 17 17 PRO C C 17 174.600 174.600 176.447 -1.847 18048 857 1 3 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.484 -1.984 18048 858 1 3 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.616 -3.216 18048 859 1 3 . 1 1 18 18 SER N N 18 116.500 116.500 113.063 3.437 18048 860 1 3 . 1 1 18 18 SER HA H 18 4.420 4.420 4.448 -0.028 18048 861 1 3 . 1 1 18 18 SER C C 18 171.300 171.300 174.857 -3.557 18048 862 1 3 . 1 1 18 18 SER CA C 18 55.900 55.900 58.616 -2.716 18048 863 1 3 . 1 1 18 18 SER CB C 18 61.400 61.400 63.353 -1.953 18048 864 1 3 . 1 1 18 18 SER H H 18 8.520 8.520 8.263 0.257 18048 865 1 3 . 1 1 19 19 SER N N 19 117.700 117.700 115.961 1.739 18048 866 1 3 . 1 1 19 19 SER HA H 19 4.370 4.370 4.608 -0.238 18048 867 1 3 . 1 1 19 19 SER C C 19 172.600 172.600 175.234 -2.634 18048 868 1 3 . 1 1 19 19 SER CA C 19 55.500 55.500 56.055 -0.555 18048 869 1 3 . 1 1 19 19 SER CB C 19 61.400 61.400 63.972 -2.572 18048 870 1 3 . 1 1 19 19 SER H H 19 8.490 8.490 7.562 0.928 18048 871 1 3 . 1 1 20 20 VAL N N 20 120.500 120.500 123.071 -2.571 18048 872 1 3 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.691 -0.201 18048 873 1 3 . 1 1 20 20 VAL C C 20 174.300 174.300 176.998 -2.698 18048 874 1 3 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.123 -1.623 18048 875 1 3 . 1 1 20 20 VAL CB C 20 28.900 28.900 30.906 -2.006 18048 876 1 3 . 1 1 20 20 VAL H H 20 8.310 8.310 8.517 -0.207 18048 877 1 3 . 1 1 21 21 GLU N N 21 118.700 118.700 118.696 0.004 18048 878 1 3 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.952 -0.322 18048 879 1 3 . 1 1 21 21 GLU C C 21 176.300 176.300 179.056 -2.756 18048 880 1 3 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.167 -2.267 18048 881 1 3 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.567 -2.667 18048 882 1 3 . 1 1 21 21 GLU H H 21 8.110 8.110 8.643 -0.533 18048 883 1 3 . 1 1 22 22 ASP N N 22 120.400 120.400 120.515 -0.115 18048 884 1 3 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.358 -0.098 18048 885 1 3 . 1 1 22 22 ASP C C 22 175.600 175.600 177.770 -2.170 18048 886 1 3 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.580 -3.380 18048 887 1 3 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.816 -2.916 18048 888 1 3 . 1 1 22 22 ASP H H 22 7.810 7.810 8.240 -0.430 18048 889 1 3 . 1 1 23 23 ILE N N 23 120.900 120.900 120.343 0.557 18048 890 1 3 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.666 -0.566 18048 891 1 3 . 1 1 23 23 ILE C C 23 175.100 175.100 177.301 -2.201 18048 892 1 3 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.308 -2.008 18048 893 1 3 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.782 -3.482 18048 894 1 3 . 1 1 23 23 ILE H H 23 7.670 7.670 7.902 -0.232 18048 895 1 3 . 1 1 24 24 LYS N N 24 120.000 120.000 120.423 -0.423 18048 896 1 3 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.781 -0.691 18048 897 1 3 . 1 1 24 24 LYS C C 24 175.400 175.400 178.400 -3.000 18048 898 1 3 . 1 1 24 24 LYS CA C 24 57.400 57.400 58.984 -1.584 18048 899 1 3 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.610 -2.010 18048 900 1 3 . 1 1 24 24 LYS H H 24 8.060 8.060 8.147 -0.087 18048 901 1 3 . 1 1 25 25 ALA N N 25 119.000 119.000 121.404 -2.404 18048 902 1 3 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.084 -0.054 18048 903 1 3 . 1 1 25 25 ALA C C 25 178.700 178.700 180.058 -1.358 18048 904 1 3 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.234 -2.934 18048 905 1 3 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.295 -3.595 18048 906 1 3 . 1 1 25 25 ALA H H 25 7.410 7.410 7.822 -0.412 18048 907 1 3 . 1 1 26 26 LYS N N 26 120.100 120.100 118.649 1.451 18048 908 1 3 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.213 -0.163 18048 909 1 3 . 1 1 26 26 LYS C C 26 177.600 177.600 179.094 -1.494 18048 910 1 3 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.587 -1.987 18048 911 1 3 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.002 -2.402 18048 912 1 3 . 1 1 26 26 LYS H H 26 7.760 7.760 8.480 -0.720 18048 913 1 3 . 1 1 27 27 MET N N 27 120.900 120.900 119.378 1.522 18048 914 1 3 . 1 1 27 27 MET HA H 27 4.220 4.220 4.328 -0.108 18048 915 1 3 . 1 1 27 27 MET C C 27 175.900 175.900 178.576 -2.676 18048 916 1 3 . 1 1 27 27 MET CA C 27 58.000 58.000 58.410 -0.410 18048 917 1 3 . 1 1 27 27 MET CB C 27 30.600 30.600 31.985 -1.385 18048 918 1 3 . 1 1 27 27 MET H H 27 8.620 8.620 8.487 0.133 18048 919 1 3 . 1 1 28 28 GLN N N 28 119.700 119.700 119.185 0.515 18048 920 1 3 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.120 -0.080 18048 921 1 3 . 1 1 28 28 GLN C C 28 175.500 175.500 178.323 -2.823 18048 922 1 3 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.656 -1.956 18048 923 1 3 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.765 -2.065 18048 924 1 3 . 1 1 28 28 GLN H H 28 8.970 8.970 8.045 0.925 18048 925 1 3 . 1 1 29 29 ALA N N 29 120.900 120.900 122.124 -1.224 18048 926 1 3 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.029 0.131 18048 927 1 3 . 1 1 29 29 ALA C C 29 177.500 177.500 179.953 -2.453 18048 928 1 3 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.142 -3.042 18048 929 1 3 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.162 -3.362 18048 930 1 3 . 1 1 29 29 ALA H H 29 7.940 7.940 8.520 -0.580 18048 931 1 3 . 1 1 30 30 SER N N 30 112.900 112.900 115.433 -2.533 18048 932 1 3 . 1 1 30 30 SER HA H 30 4.180 4.180 4.172 0.008 18048 933 1 3 . 1 1 30 30 SER CA C 30 58.900 58.900 62.749 -3.849 18048 934 1 3 . 1 1 30 30 SER CB C 30 60.000 60.000 62.928 -2.928 18048 935 1 3 . 1 1 30 30 SER H H 30 7.780 7.780 8.091 -0.311 18048 936 1 3 . 1 1 31 31 ILE N N 31 122.000 122.000 122.754 -0.754 18048 937 1 3 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.849 0.001 18048 938 1 3 . 1 1 31 31 ILE C C 31 173.900 173.900 178.694 -4.794 18048 939 1 3 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.150 -3.650 18048 940 1 3 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.976 -3.076 18048 941 1 3 . 1 1 31 31 ILE H H 31 7.940 7.940 8.031 -0.091 18048 942 1 3 . 1 1 32 32 GLU N N 32 121.800 121.800 119.610 2.190 18048 943 1 3 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.206 -0.176 18048 944 1 3 . 1 1 32 32 GLU C C 32 175.200 175.200 177.804 -2.604 18048 945 1 3 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.577 -2.277 18048 946 1 3 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.328 -2.828 18048 947 1 3 . 1 1 32 32 GLU H H 32 8.140 8.140 8.308 -0.168 18048 948 1 3 . 1 1 33 33 LYS N N 33 116.200 116.200 117.138 -0.938 18048 949 1 3 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.492 -0.112 18048 950 1 3 . 1 1 33 33 LYS C C 33 173.800 173.800 176.522 -2.722 18048 951 1 3 . 1 1 33 33 LYS CA C 33 52.900 52.900 55.893 -2.993 18048 952 1 3 . 1 1 33 33 LYS CB C 33 29.500 29.500 32.906 -3.406 18048 953 1 3 . 1 1 33 33 LYS H H 33 7.350 7.350 7.960 -0.610 18048 954 1 3 . 1 1 34 34 GLY N N 34 107.400 107.400 107.461 -0.061 18048 955 1 3 . 1 1 34 34 GLY C C 34 172.400 172.400 175.326 -2.926 18048 956 1 3 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.872 -2.272 18048 957 1 3 . 1 1 34 34 GLY H H 34 7.830 7.830 7.660 0.170 18048 958 1 3 . 1 1 35 35 GLY N N 35 109.200 109.200 109.539 -0.339 18048 959 1 3 . 1 1 35 35 GLY C C 35 169.500 169.500 173.957 -4.457 18048 960 1 3 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.701 -3.101 18048 961 1 3 . 1 1 35 35 GLY H H 35 8.330 8.330 8.187 0.143 18048 962 1 3 . 1 1 36 36 SER N N 36 112.700 112.700 114.916 -2.216 18048 963 1 3 . 1 1 36 36 SER HA H 36 4.610 4.610 4.707 -0.097 18048 964 1 3 . 1 1 36 36 SER C C 36 171.000 171.000 173.744 -2.744 18048 965 1 3 . 1 1 36 36 SER CA C 36 54.000 54.000 57.907 -3.907 18048 966 1 3 . 1 1 36 36 SER CB C 36 62.300 62.300 64.035 -1.735 18048 967 1 3 . 1 1 36 36 SER H H 36 8.150 8.150 8.421 -0.271 18048 968 1 3 . 1 1 37 37 LEU N N 37 122.700 122.700 123.272 -0.572 18048 969 1 3 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.522 -0.362 18048 970 1 3 . 1 1 37 37 LEU C C 37 173.600 173.600 174.583 -0.983 18048 971 1 3 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.649 0.751 18048 972 1 3 . 1 1 37 37 LEU CB C 37 40.500 40.500 44.193 -3.693 18048 973 1 3 . 1 1 37 37 LEU H H 37 8.380 8.380 8.151 0.229 18048 974 1 3 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.718 -0.448 18048 975 1 3 . 1 1 38 38 PRO C C 38 174.400 174.400 175.673 -1.273 18048 976 1 3 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.511 -1.111 18048 977 1 3 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.757 -2.957 18048 978 1 3 . 1 1 39 39 LYS N N 39 122.300 122.300 118.558 3.742 18048 979 1 3 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.306 0.074 18048 980 1 3 . 1 1 39 39 LYS C C 39 172.300 172.300 176.407 -4.107 18048 981 1 3 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.740 -3.041 18048 982 1 3 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.140 -1.840 18048 983 1 3 . 1 1 39 39 LYS H H 39 8.920 8.920 8.294 0.626 18048 984 1 3 . 1 1 40 40 VAL N N 40 118.500 118.500 120.910 -2.410 18048 985 1 3 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.175 0.105 18048 986 1 3 . 1 1 40 40 VAL C C 40 173.600 173.600 176.051 -2.451 18048 987 1 3 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.698 -2.598 18048 988 1 3 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.951 -2.551 18048 989 1 3 . 1 1 40 40 VAL H H 40 7.000 7.000 7.753 -0.753 18048 990 1 3 . 1 1 41 41 GLU N N 41 131.800 131.800 129.375 2.425 18048 991 1 3 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.790 0.160 18048 992 1 3 . 1 1 41 41 GLU C C 41 174.700 174.700 177.714 -3.014 18048 993 1 3 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.601 -1.901 18048 994 1 3 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.816 -1.716 18048 995 1 3 . 1 1 41 41 GLU H H 41 8.820 8.820 8.970 -0.150 18048 996 1 3 . 1 1 42 42 ALA N N 42 117.700 117.700 123.223 -5.523 18048 997 1 3 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.138 -0.348 18048 998 1 3 . 1 1 42 42 ALA C C 42 178.000 178.000 179.634 -1.634 18048 999 1 3 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.897 -1.997 18048 1000 1 3 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.050 -2.650 18048 1001 1 3 . 1 1 42 42 ALA H H 42 8.630 8.630 8.385 0.245 18048 1002 1 3 . 1 1 43 43 LYS N N 43 113.500 113.500 119.340 -5.840 18048 1003 1 3 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.104 -0.014 18048 1004 1 3 . 1 1 43 43 LYS C C 43 176.600 176.600 178.985 -2.385 18048 1005 1 3 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.253 -4.053 18048 1006 1 3 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.199 -2.199 18048 1007 1 3 . 1 1 43 43 LYS H H 43 6.530 6.530 8.193 -1.663 18048 1008 1 3 . 1 1 44 44 PHE N N 44 123.600 123.600 121.508 2.092 18048 1009 1 3 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.152 -0.212 18048 1010 1 3 . 1 1 44 44 PHE C C 44 173.300 173.300 177.018 -3.718 18048 1011 1 3 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.684 -1.385 18048 1012 1 3 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.088 -2.388 18048 1013 1 3 . 1 1 44 44 PHE H H 44 8.610 8.610 8.231 0.379 18048 1014 1 3 . 1 1 45 45 ILE N N 45 119.600 119.600 119.576 0.024 18048 1015 1 3 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.304 0.066 18048 1016 1 3 . 1 1 45 45 ILE C C 45 174.700 174.700 177.529 -2.829 18048 1017 1 3 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.787 -2.287 18048 1018 1 3 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.496 -2.496 18048 1019 1 3 . 1 1 45 45 ILE H H 45 8.690 8.690 8.621 0.069 18048 1020 1 3 . 1 1 46 46 ASN N N 46 115.900 115.900 118.238 -2.338 18048 1021 1 3 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.274 -0.024 18048 1022 1 3 . 1 1 46 46 ASN C C 46 173.800 173.800 177.460 -3.660 18048 1023 1 3 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.390 -2.590 18048 1024 1 3 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.423 -2.824 18048 1025 1 3 . 1 1 46 46 ASN H H 46 7.320 7.320 8.315 -0.995 18048 1026 1 3 . 1 1 47 47 TYR N N 47 120.900 120.900 120.104 0.796 18048 1027 1 3 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.240 0.050 18048 1028 1 3 . 1 1 47 47 TYR C C 47 174.400 174.400 177.712 -3.312 18048 1029 1 3 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.605 -3.405 18048 1030 1 3 . 1 1 47 47 TYR CB C 47 35.800 35.800 39.031 -3.231 18048 1031 1 3 . 1 1 47 47 TYR H H 47 7.840 7.840 8.072 -0.232 18048 1032 1 3 . 1 1 48 48 VAL N N 48 117.800 117.800 120.797 -2.997 18048 1033 1 3 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.315 0.155 18048 1034 1 3 . 1 1 48 48 VAL C C 48 176.300 176.300 177.572 -1.272 18048 1035 1 3 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.882 -3.082 18048 1036 1 3 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.326 -2.926 18048 1037 1 3 . 1 1 48 48 VAL H H 48 8.260 8.260 8.581 -0.321 18048 1038 1 3 . 1 1 49 49 LYS N N 49 119.700 119.700 118.389 1.311 18048 1039 1 3 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.926 0.024 18048 1040 1 3 . 1 1 49 49 LYS C C 49 176.400 176.400 178.546 -2.146 18048 1041 1 3 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.429 -1.829 18048 1042 1 3 . 1 1 49 49 LYS CB C 49 29.900 29.900 31.816 -1.916 18048 1043 1 3 . 1 1 49 49 LYS H H 49 8.070 8.070 8.290 -0.220 18048 1044 1 3 . 1 1 50 50 ASN N N 50 115.600 115.600 116.987 -1.387 18048 1045 1 3 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.399 -0.049 18048 1046 1 3 . 1 1 50 50 ASN C C 50 174.100 174.100 177.078 -2.978 18048 1047 1 3 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.441 -2.441 18048 1048 1 3 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.437 -2.137 18048 1049 1 3 . 1 1 50 50 ASN H H 50 8.080 8.080 7.454 0.626 18048 1050 1 3 . 1 1 51 51 CYS N N 51 115.800 115.800 117.565 -1.765 18048 1051 1 3 . 1 1 51 51 CYS C C 51 172.800 172.800 175.078 -2.278 18048 1052 1 3 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.471 -2.671 18048 1053 1 3 . 1 1 51 51 CYS CB C 51 24.200 24.200 26.958 -2.758 18048 1054 1 3 . 1 1 51 51 CYS H H 51 8.480 8.480 8.011 0.469 18048 1055 1 3 . 1 1 52 52 PHE N N 52 112.700 112.700 118.741 -6.041 18048 1056 1 3 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.534 0.086 18048 1057 1 3 . 1 1 52 52 PHE C C 52 171.900 171.900 174.699 -2.799 18048 1058 1 3 . 1 1 52 52 PHE CA C 52 54.600 54.600 58.619 -4.019 18048 1059 1 3 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.024 -3.124 18048 1060 1 3 . 1 1 52 52 PHE H H 52 7.230 7.230 8.268 -1.038 18048 1061 1 3 . 1 1 53 53 ARG N N 53 114.500 114.500 117.615 -3.115 18048 1062 1 3 . 1 1 53 53 ARG C C 53 172.000 172.000 174.407 -2.407 18048 1063 1 3 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.615 -1.716 18048 1064 1 3 . 1 1 53 53 ARG CB C 53 23.500 23.500 31.048 -7.548 18048 1065 1 3 . 1 1 53 53 ARG H H 53 7.200 7.200 7.886 -0.686 18048 1066 1 3 . 1 1 54 54 MET N N 54 116.800 116.800 116.988 -0.188 18048 1067 1 3 . 1 1 54 54 MET HA H 54 4.430 4.430 4.400 0.030 18048 1068 1 3 . 1 1 54 54 MET C C 54 172.600 172.600 175.758 -3.158 18048 1069 1 3 . 1 1 54 54 MET CA C 54 52.800 52.800 55.998 -3.198 18048 1070 1 3 . 1 1 54 54 MET CB C 54 31.500 31.500 32.334 -0.834 18048 1071 1 3 . 1 1 54 54 MET H H 54 6.770 6.770 7.745 -0.975 18048 1072 1 3 . 1 1 55 55 THR N N 55 110.800 110.800 112.035 -1.235 18048 1073 1 3 . 1 1 55 55 THR HA H 55 4.280 4.280 4.398 -0.118 18048 1074 1 3 . 1 1 55 55 THR C C 55 171.800 171.800 174.271 -2.471 18048 1075 1 3 . 1 1 55 55 THR CA C 55 58.400 58.400 62.033 -3.633 18048 1076 1 3 . 1 1 55 55 THR CB C 55 67.400 67.400 69.637 -2.237 18048 1077 1 3 . 1 1 55 55 THR H H 55 8.480 8.480 8.243 0.237 18048 1078 1 3 . 1 1 56 56 ASP N N 56 123.800 123.800 124.272 -0.472 18048 1079 1 3 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.649 -0.170 18048 1080 1 3 . 1 1 56 56 ASP C C 56 173.200 173.200 176.590 -3.390 18048 1081 1 3 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.816 -3.216 18048 1082 1 3 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.684 -1.584 18048 1083 1 3 . 1 1 56 56 ASP H H 56 7.450 7.450 8.352 -0.902 18048 1084 1 3 . 1 1 57 57 GLN N N 57 126.600 126.600 124.335 2.265 18048 1085 1 3 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.008 -0.208 18048 1086 1 3 . 1 1 57 57 GLN C C 57 175.400 175.400 177.175 -1.775 18048 1087 1 3 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.213 -2.613 18048 1088 1 3 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.876 -3.276 18048 1089 1 3 . 1 1 57 57 GLN H H 57 8.880 8.880 8.444 0.436 18048 1090 1 3 . 1 1 58 58 GLU N N 58 119.400 119.400 119.306 0.094 18048 1091 1 3 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.130 -0.150 18048 1092 1 3 . 1 1 58 58 GLU C C 58 175.900 175.900 178.208 -2.308 18048 1093 1 3 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.971 -2.071 18048 1094 1 3 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.709 -2.409 18048 1095 1 3 . 1 1 58 58 GLU H H 58 8.220 8.220 8.726 -0.506 18048 1096 1 3 . 1 1 59 59 ALA N N 59 123.300 123.300 122.044 1.256 18048 1097 1 3 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.270 -0.170 18048 1098 1 3 . 1 1 59 59 ALA C C 59 177.400 177.400 179.661 -2.261 18048 1099 1 3 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.513 -2.613 18048 1100 1 3 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.666 -2.766 18048 1101 1 3 . 1 1 59 59 ALA H H 59 7.710 7.710 7.709 0.001 18048 1102 1 3 . 1 1 60 60 ILE N N 60 117.300 117.300 120.050 -2.750 18048 1103 1 3 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.667 -0.167 18048 1104 1 3 . 1 1 60 60 ILE C C 60 175.100 175.100 178.366 -3.266 18048 1105 1 3 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.436 -1.637 18048 1106 1 3 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.038 -3.238 18048 1107 1 3 . 1 1 60 60 ILE H H 60 8.130 8.130 8.326 -0.196 18048 1108 1 3 . 1 1 61 61 GLN N N 61 118.800 118.800 118.630 0.170 18048 1109 1 3 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.432 -0.252 18048 1110 1 3 . 1 1 61 61 GLN C C 61 175.900 175.900 177.888 -1.988 18048 1111 1 3 . 1 1 61 61 GLN CA C 61 56.300 56.300 59.030 -2.730 18048 1112 1 3 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.810 -2.810 18048 1113 1 3 . 1 1 61 61 GLN H H 61 8.000 8.000 8.773 -0.773 18048 1114 1 3 . 1 1 62 62 ASP N N 62 121.000 121.000 121.472 -0.472 18048 1115 1 3 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.533 -0.143 18048 1116 1 3 . 1 1 62 62 ASP C C 62 177.200 177.200 178.757 -1.557 18048 1117 1 3 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.284 -2.284 18048 1118 1 3 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.907 -3.007 18048 1119 1 3 . 1 1 62 62 ASP H H 62 8.020 8.020 7.863 0.157 18048 1120 1 3 . 1 1 63 63 LEU N N 63 120.700 120.700 120.795 -0.095 18048 1121 1 3 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.263 -0.063 18048 1122 1 3 . 1 1 63 63 LEU C C 63 175.600 175.600 179.172 -3.572 18048 1123 1 3 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.749 -2.349 18048 1124 1 3 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.003 -2.603 18048 1125 1 3 . 1 1 63 63 LEU H H 63 8.220 8.220 8.387 -0.167 18048 1126 1 3 . 1 1 64 64 TRP N N 64 122.400 122.400 121.857 0.543 18048 1127 1 3 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.936 0.094 18048 1128 1 3 . 1 1 64 64 TRP C C 64 173.500 173.500 178.059 -4.559 18048 1129 1 3 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.742 -4.542 18048 1130 1 3 . 1 1 64 64 TRP CB C 64 26.800 26.800 28.893 -2.093 18048 1131 1 3 . 1 1 64 64 TRP H H 64 8.890 8.890 8.778 0.112 18048 1132 1 3 . 1 1 65 65 GLN N N 65 116.700 116.700 118.015 -1.315 18048 1133 1 3 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.901 -0.611 18048 1134 1 3 . 1 1 65 65 GLN C C 65 176.200 176.200 178.644 -2.444 18048 1135 1 3 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.406 -3.506 18048 1136 1 3 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.136 -3.436 18048 1137 1 3 . 1 1 65 65 GLN H H 65 8.310 8.310 8.757 -0.447 18048 1138 1 3 . 1 1 66 66 TRP N N 66 119.500 119.500 121.590 -2.090 18048 1139 1 3 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.332 -0.322 18048 1140 1 3 . 1 1 66 66 TRP C C 66 175.100 175.100 178.787 -3.687 18048 1141 1 3 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.390 -2.290 18048 1142 1 3 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.679 -5.079 18048 1143 1 3 . 1 1 66 66 TRP H H 66 7.750 7.750 8.456 -0.706 18048 1144 1 3 . 1 1 67 67 ARG N N 67 122.300 122.300 119.935 2.365 18048 1145 1 3 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.066 -0.016 18048 1146 1 3 . 1 1 67 67 ARG C C 67 177.800 177.800 178.830 -1.030 18048 1147 1 3 . 1 1 67 67 ARG CA C 67 56.500 56.500 59.001 -2.501 18048 1148 1 3 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.867 -4.567 18048 1149 1 3 . 1 1 67 67 ARG H H 67 8.640 8.640 8.429 0.211 18048 1150 1 3 . 1 1 68 68 LYS N N 68 118.400 118.400 119.285 -0.885 18048 1151 1 3 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.057 -0.667 18048 1152 1 3 . 1 1 68 68 LYS C C 68 173.800 173.800 177.899 -4.099 18048 1153 1 3 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.605 -3.105 18048 1154 1 3 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.088 -4.088 18048 1155 1 3 . 1 1 68 68 LYS H H 68 7.860 7.860 8.160 -0.300 18048 1156 1 3 . 1 1 69 69 SER N N 69 114.500 114.500 113.400 1.100 18048 1157 1 3 . 1 1 69 69 SER HA H 69 4.200 4.200 4.257 -0.057 18048 1158 1 3 . 1 1 69 69 SER C C 69 170.300 170.300 173.293 -2.993 18048 1159 1 3 . 1 1 69 69 SER CA C 69 55.700 55.700 59.231 -3.531 18048 1160 1 3 . 1 1 69 69 SER CB C 69 61.500 61.500 63.207 -1.707 18048 1161 1 3 . 1 1 69 69 SER H H 69 7.060 7.060 7.653 -0.593 18048 1162 1 4 . 1 1 2 2 GLU N N 2 122.400 122.400 121.717 0.683 18048 1163 1 4 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.454 -0.324 18048 1164 1 4 . 1 1 2 2 GLU C C 2 173.800 173.800 175.161 -1.361 18048 1165 1 4 . 1 1 2 2 GLU CA C 2 54.100 54.100 55.923 -1.823 18048 1166 1 4 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.606 -3.306 18048 1167 1 4 . 1 1 2 2 GLU H H 2 8.490 8.490 8.477 0.013 18048 1168 1 4 . 1 1 3 3 SER N N 3 116.300 116.300 116.962 -0.662 18048 1169 1 4 . 1 1 3 3 SER HA H 3 4.240 4.240 4.293 -0.053 18048 1170 1 4 . 1 1 3 3 SER C C 3 171.500 171.500 173.255 -1.755 18048 1171 1 4 . 1 1 3 3 SER CA C 3 55.800 55.800 57.485 -1.685 18048 1172 1 4 . 1 1 3 3 SER CB C 3 60.900 60.900 63.205 -2.305 18048 1173 1 4 . 1 1 3 3 SER H H 3 8.210 8.210 8.408 -0.198 18048 1174 1 4 . 1 1 4 4 PHE N N 4 121.700 121.700 122.832 -1.132 18048 1175 1 4 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.813 -0.333 18048 1176 1 4 . 1 1 4 4 PHE C C 4 172.800 172.800 175.017 -2.217 18048 1177 1 4 . 1 1 4 4 PHE CA C 4 55.000 55.000 56.653 -1.653 18048 1178 1 4 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.334 -2.834 18048 1179 1 4 . 1 1 4 4 PHE H H 4 8.040 8.040 7.494 0.546 18048 1180 1 4 . 1 1 5 5 LYS N N 5 122.600 122.600 121.982 0.618 18048 1181 1 4 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.386 -0.266 18048 1182 1 4 . 1 1 5 5 LYS C C 5 173.400 173.400 175.940 -2.540 18048 1183 1 4 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.402 -3.002 18048 1184 1 4 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.952 -2.852 18048 1185 1 4 . 1 1 5 5 LYS H H 5 7.990 7.990 8.669 -0.679 18048 1186 1 4 . 1 1 6 6 LYS N N 6 122.800 122.800 120.263 2.537 18048 1187 1 4 . 1 1 6 6 LYS C C 6 173.700 173.700 175.340 -1.640 18048 1188 1 4 . 1 1 6 6 LYS CA C 6 53.700 53.700 55.304 -1.604 18048 1189 1 4 . 1 1 6 6 LYS H H 6 8.160 8.160 8.452 -0.292 18048 1190 1 4 . 1 1 7 7 GLN N N 7 120.800 120.800 120.296 0.504 18048 1191 1 4 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.604 -0.074 18048 1192 1 4 . 1 1 7 7 GLN C C 7 173.600 173.600 174.982 -1.382 18048 1193 1 4 . 1 1 7 7 GLN CA C 7 53.700 53.700 54.909 -1.209 18048 1194 1 4 . 1 1 7 7 GLN CB C 7 27.300 27.300 31.802 -4.502 18048 1195 1 4 . 1 1 7 7 GLN H H 7 8.240 8.240 8.827 -0.587 18048 1196 1 4 . 1 1 8 8 GLU N N 8 121.400 121.400 119.748 1.652 18048 1197 1 4 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.424 -0.224 18048 1198 1 4 . 1 1 8 8 GLU C C 8 173.100 173.100 175.170 -2.070 18048 1199 1 4 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.569 -3.669 18048 1200 1 4 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.382 -2.782 18048 1201 1 4 . 1 1 8 8 GLU H H 8 8.270 8.270 8.613 -0.343 18048 1202 1 4 . 1 1 9 9 LYS N N 9 123.000 123.000 119.882 3.118 18048 1203 1 4 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.121 0.119 18048 1204 1 4 . 1 1 9 9 LYS C C 9 173.700 173.700 175.658 -1.958 18048 1205 1 4 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.626 -3.126 18048 1206 1 4 . 1 1 9 9 LYS CB C 9 30.100 30.100 31.304 -1.204 18048 1207 1 4 . 1 1 9 9 LYS H H 9 8.390 8.390 7.994 0.396 18048 1208 1 4 . 1 1 10 10 THR N N 10 117.900 117.900 115.545 2.355 18048 1209 1 4 . 1 1 10 10 THR HA H 10 4.450 4.450 4.681 -0.231 18048 1210 1 4 . 1 1 10 10 THR C C 10 170.000 170.000 172.583 -2.583 18048 1211 1 4 . 1 1 10 10 THR CA C 10 57.000 57.000 59.433 -2.433 18048 1212 1 4 . 1 1 10 10 THR CB C 10 66.800 66.800 69.257 -2.457 18048 1213 1 4 . 1 1 10 10 THR H H 10 8.140 8.140 8.175 -0.035 18048 1214 1 4 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.564 -0.254 18048 1215 1 4 . 1 1 11 11 PRO C C 11 173.800 173.800 176.905 -3.105 18048 1216 1 4 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.807 -2.407 18048 1217 1 4 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.325 -3.025 18048 1218 1 4 . 1 1 12 12 LYS N N 12 121.700 121.700 124.962 -3.262 18048 1219 1 4 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.370 -0.160 18048 1220 1 4 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.867 -3.366 18048 1221 1 4 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.003 -2.803 18048 1222 1 4 . 1 1 12 12 LYS H H 12 8.380 8.380 8.496 -0.116 18048 1223 1 4 . 1 1 13 13 THR N N 13 115.600 115.600 118.850 -3.250 18048 1224 1 4 . 1 1 13 13 THR HA H 13 4.360 4.360 4.609 -0.249 18048 1225 1 4 . 1 1 13 13 THR C C 13 169.800 169.800 172.248 -2.448 18048 1226 1 4 . 1 1 13 13 THR CA C 13 55.800 55.800 59.780 -3.980 18048 1227 1 4 . 1 1 13 13 THR CB C 13 67.800 67.800 69.030 -1.230 18048 1228 1 4 . 1 1 13 13 THR H H 13 7.940 7.940 8.108 -0.168 18048 1229 1 4 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.475 -0.085 18048 1230 1 4 . 1 1 14 14 PRO C C 14 174.000 174.000 175.704 -1.704 18048 1231 1 4 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.076 -2.776 18048 1232 1 4 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.324 -3.124 18048 1233 1 4 . 1 1 15 15 LYS N N 15 121.700 121.700 121.292 0.408 18048 1234 1 4 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.514 -0.304 18048 1235 1 4 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.194 -1.694 18048 1236 1 4 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.042 -3.743 18048 1237 1 4 . 1 1 15 15 LYS H H 15 8.360 8.360 8.369 -0.009 18048 1238 1 4 . 1 1 16 16 GLY N N 16 110.100 110.100 108.808 1.292 18048 1239 1 4 . 1 1 16 16 GLY C C 16 168.900 168.900 172.648 -3.748 18048 1240 1 4 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.383 -2.683 18048 1241 1 4 . 1 1 16 16 GLY H H 16 8.220 8.220 8.427 -0.207 18048 1242 1 4 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.374 0.006 18048 1243 1 4 . 1 1 17 17 PRO C C 17 174.600 174.600 176.493 -1.893 18048 1244 1 4 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.475 -1.975 18048 1245 1 4 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.319 -2.919 18048 1246 1 4 . 1 1 18 18 SER N N 18 116.500 116.500 114.955 1.545 18048 1247 1 4 . 1 1 18 18 SER HA H 18 4.420 4.420 4.632 -0.212 18048 1248 1 4 . 1 1 18 18 SER C C 18 171.300 171.300 173.534 -2.234 18048 1249 1 4 . 1 1 18 18 SER CA C 18 55.900 55.900 58.976 -3.076 18048 1250 1 4 . 1 1 18 18 SER CB C 18 61.400 61.400 62.220 -0.820 18048 1251 1 4 . 1 1 18 18 SER H H 18 8.520 8.520 8.373 0.147 18048 1252 1 4 . 1 1 19 19 SER N N 19 117.700 117.700 115.258 2.442 18048 1253 1 4 . 1 1 19 19 SER HA H 19 4.370 4.370 4.566 -0.196 18048 1254 1 4 . 1 1 19 19 SER C C 19 172.600 172.600 174.684 -2.084 18048 1255 1 4 . 1 1 19 19 SER CA C 19 55.500 55.500 57.492 -1.992 18048 1256 1 4 . 1 1 19 19 SER CB C 19 61.400 61.400 63.850 -2.450 18048 1257 1 4 . 1 1 19 19 SER H H 19 8.490 8.490 7.229 1.261 18048 1258 1 4 . 1 1 20 20 VAL N N 20 120.500 120.500 122.050 -1.550 18048 1259 1 4 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.649 -0.159 18048 1260 1 4 . 1 1 20 20 VAL C C 20 174.300 174.300 176.556 -2.256 18048 1261 1 4 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.571 -2.071 18048 1262 1 4 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.701 -2.801 18048 1263 1 4 . 1 1 20 20 VAL H H 20 8.310 8.310 8.681 -0.371 18048 1264 1 4 . 1 1 21 21 GLU N N 21 118.700 118.700 119.245 -0.545 18048 1265 1 4 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.698 -0.068 18048 1266 1 4 . 1 1 21 21 GLU C C 21 176.300 176.300 178.329 -2.029 18048 1267 1 4 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.940 -3.040 18048 1268 1 4 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.945 -3.045 18048 1269 1 4 . 1 1 21 21 GLU H H 21 8.110 8.110 8.419 -0.309 18048 1270 1 4 . 1 1 22 22 ASP N N 22 120.400 120.400 119.606 0.794 18048 1271 1 4 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.368 -0.108 18048 1272 1 4 . 1 1 22 22 ASP C C 22 175.600 175.600 177.862 -2.262 18048 1273 1 4 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.175 -2.975 18048 1274 1 4 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.843 -2.942 18048 1275 1 4 . 1 1 22 22 ASP H H 22 7.810 7.810 7.820 -0.010 18048 1276 1 4 . 1 1 23 23 ILE N N 23 120.900 120.900 119.936 0.964 18048 1277 1 4 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.682 -0.582 18048 1278 1 4 . 1 1 23 23 ILE C C 23 175.100 175.100 177.215 -2.115 18048 1279 1 4 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.122 -1.822 18048 1280 1 4 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.940 -3.640 18048 1281 1 4 . 1 1 23 23 ILE H H 23 7.670 7.670 7.520 0.150 18048 1282 1 4 . 1 1 24 24 LYS N N 24 120.000 120.000 120.134 -0.134 18048 1283 1 4 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.249 -1.159 18048 1284 1 4 . 1 1 24 24 LYS C C 24 175.400 175.400 178.468 -3.068 18048 1285 1 4 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.277 -1.877 18048 1286 1 4 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.775 -2.175 18048 1287 1 4 . 1 1 24 24 LYS H H 24 8.060 8.060 8.112 -0.052 18048 1288 1 4 . 1 1 25 25 ALA N N 25 119.000 119.000 122.718 -3.718 18048 1289 1 4 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.151 -0.121 18048 1290 1 4 . 1 1 25 25 ALA C C 25 178.700 178.700 179.985 -1.285 18048 1291 1 4 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.066 -2.766 18048 1292 1 4 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.163 -3.463 18048 1293 1 4 . 1 1 25 25 ALA H H 25 7.410 7.410 7.988 -0.578 18048 1294 1 4 . 1 1 26 26 LYS N N 26 120.100 120.100 118.751 1.349 18048 1295 1 4 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.172 -0.122 18048 1296 1 4 . 1 1 26 26 LYS C C 26 177.600 177.600 179.122 -1.522 18048 1297 1 4 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.205 -2.605 18048 1298 1 4 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.495 -2.894 18048 1299 1 4 . 1 1 26 26 LYS H H 26 7.760 7.760 8.202 -0.442 18048 1300 1 4 . 1 1 27 27 MET N N 27 120.900 120.900 119.238 1.662 18048 1301 1 4 . 1 1 27 27 MET HA H 27 4.220 4.220 4.255 -0.035 18048 1302 1 4 . 1 1 27 27 MET C C 27 175.900 175.900 178.461 -2.561 18048 1303 1 4 . 1 1 27 27 MET CA C 27 58.000 58.000 58.205 -0.205 18048 1304 1 4 . 1 1 27 27 MET CB C 27 30.600 30.600 31.864 -1.264 18048 1305 1 4 . 1 1 27 27 MET H H 27 8.620 8.620 8.496 0.124 18048 1306 1 4 . 1 1 28 28 GLN N N 28 119.700 119.700 118.021 1.679 18048 1307 1 4 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.163 -0.123 18048 1308 1 4 . 1 1 28 28 GLN C C 28 175.500 175.500 178.342 -2.842 18048 1309 1 4 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.217 -1.517 18048 1310 1 4 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.630 -1.930 18048 1311 1 4 . 1 1 28 28 GLN H H 28 8.970 8.970 8.405 0.565 18048 1312 1 4 . 1 1 29 29 ALA N N 29 120.900 120.900 122.851 -1.951 18048 1313 1 4 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.046 0.114 18048 1314 1 4 . 1 1 29 29 ALA C C 29 177.500 177.500 179.676 -2.176 18048 1315 1 4 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.094 -2.994 18048 1316 1 4 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.020 -3.220 18048 1317 1 4 . 1 1 29 29 ALA H H 29 7.940 7.940 7.999 -0.059 18048 1318 1 4 . 1 1 30 30 SER N N 30 112.900 112.900 114.690 -1.790 18048 1319 1 4 . 1 1 30 30 SER HA H 30 4.180 4.180 4.225 -0.045 18048 1320 1 4 . 1 1 30 30 SER CA C 30 58.900 58.900 61.584 -2.684 18048 1321 1 4 . 1 1 30 30 SER CB C 30 60.000 60.000 63.220 -3.220 18048 1322 1 4 . 1 1 30 30 SER H H 30 7.780 7.780 8.149 -0.369 18048 1323 1 4 . 1 1 31 31 ILE N N 31 122.000 122.000 121.634 0.366 18048 1324 1 4 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.979 -0.129 18048 1325 1 4 . 1 1 31 31 ILE C C 31 173.900 173.900 176.881 -2.981 18048 1326 1 4 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.526 -2.026 18048 1327 1 4 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.073 -3.173 18048 1328 1 4 . 1 1 31 31 ILE H H 31 7.940 7.940 7.888 0.052 18048 1329 1 4 . 1 1 32 32 GLU N N 32 121.800 121.800 118.890 2.910 18048 1330 1 4 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.210 -0.180 18048 1331 1 4 . 1 1 32 32 GLU C C 32 175.200 175.200 177.864 -2.664 18048 1332 1 4 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.463 -2.163 18048 1333 1 4 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.993 -3.493 18048 1334 1 4 . 1 1 32 32 GLU H H 32 8.140 8.140 8.031 0.109 18048 1335 1 4 . 1 1 33 33 LYS N N 33 116.200 116.200 117.698 -1.498 18048 1336 1 4 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.494 -0.114 18048 1337 1 4 . 1 1 33 33 LYS C C 33 173.800 173.800 178.113 -4.313 18048 1338 1 4 . 1 1 33 33 LYS CA C 33 52.900 52.900 57.118 -4.218 18048 1339 1 4 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.882 -4.382 18048 1340 1 4 . 1 1 33 33 LYS H H 33 7.350 7.350 8.561 -1.211 18048 1341 1 4 . 1 1 34 34 GLY N N 34 107.400 107.400 106.355 1.045 18048 1342 1 4 . 1 1 34 34 GLY C C 34 172.400 172.400 174.893 -2.493 18048 1343 1 4 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.583 -1.982 18048 1344 1 4 . 1 1 34 34 GLY H H 34 7.830 7.830 7.819 0.011 18048 1345 1 4 . 1 1 35 35 GLY N N 35 109.200 109.200 108.184 1.016 18048 1346 1 4 . 1 1 35 35 GLY C C 35 169.500 169.500 174.694 -5.194 18048 1347 1 4 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.661 -4.061 18048 1348 1 4 . 1 1 35 35 GLY H H 35 8.330 8.330 7.848 0.482 18048 1349 1 4 . 1 1 36 36 SER N N 36 112.700 112.700 115.151 -2.451 18048 1350 1 4 . 1 1 36 36 SER HA H 36 4.610 4.610 4.381 0.229 18048 1351 1 4 . 1 1 36 36 SER C C 36 171.000 171.000 174.417 -3.417 18048 1352 1 4 . 1 1 36 36 SER CA C 36 54.000 54.000 57.825 -3.825 18048 1353 1 4 . 1 1 36 36 SER CB C 36 62.300 62.300 64.345 -2.045 18048 1354 1 4 . 1 1 36 36 SER H H 36 8.150 8.150 7.533 0.617 18048 1355 1 4 . 1 1 37 37 LEU N N 37 122.700 122.700 118.062 4.638 18048 1356 1 4 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.541 0.619 18048 1357 1 4 . 1 1 37 37 LEU C C 37 173.600 173.600 174.344 -0.744 18048 1358 1 4 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.823 -1.423 18048 1359 1 4 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.936 -0.436 18048 1360 1 4 . 1 1 37 37 LEU H H 37 8.380 8.380 8.269 0.111 18048 1361 1 4 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.555 -0.285 18048 1362 1 4 . 1 1 38 38 PRO C C 38 174.400 174.400 177.387 -2.987 18048 1363 1 4 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.145 -0.745 18048 1364 1 4 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.587 -2.787 18048 1365 1 4 . 1 1 39 39 LYS N N 39 122.300 122.300 121.150 1.150 18048 1366 1 4 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.080 0.300 18048 1367 1 4 . 1 1 39 39 LYS C C 39 172.300 172.300 176.363 -4.063 18048 1368 1 4 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.483 -3.783 18048 1369 1 4 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.275 -0.975 18048 1370 1 4 . 1 1 39 39 LYS H H 39 8.920 8.920 8.406 0.514 18048 1371 1 4 . 1 1 40 40 VAL N N 40 118.500 118.500 121.463 -2.963 18048 1372 1 4 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.197 0.083 18048 1373 1 4 . 1 1 40 40 VAL C C 40 173.600 173.600 177.441 -3.841 18048 1374 1 4 . 1 1 40 40 VAL CA C 40 58.100 58.100 62.202 -4.102 18048 1375 1 4 . 1 1 40 40 VAL CB C 40 31.400 31.400 32.675 -1.275 18048 1376 1 4 . 1 1 40 40 VAL H H 40 7.000 7.000 7.767 -0.767 18048 1377 1 4 . 1 1 41 41 GLU N N 41 131.800 131.800 129.338 2.462 18048 1378 1 4 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.230 -0.280 18048 1379 1 4 . 1 1 41 41 GLU C C 41 174.700 174.700 178.204 -3.504 18048 1380 1 4 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.853 -2.153 18048 1381 1 4 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.442 -2.342 18048 1382 1 4 . 1 1 41 41 GLU H H 41 8.820 8.820 9.148 -0.328 18048 1383 1 4 . 1 1 42 42 ALA N N 42 117.700 117.700 122.532 -4.832 18048 1384 1 4 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.176 -0.386 18048 1385 1 4 . 1 1 42 42 ALA C C 42 178.000 178.000 180.016 -2.016 18048 1386 1 4 . 1 1 42 42 ALA CA C 42 52.900 52.900 55.062 -2.162 18048 1387 1 4 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.027 -2.627 18048 1388 1 4 . 1 1 42 42 ALA H H 42 8.630 8.630 8.667 -0.037 18048 1389 1 4 . 1 1 43 43 LYS N N 43 113.500 113.500 119.315 -5.815 18048 1390 1 4 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.197 -0.107 18048 1391 1 4 . 1 1 43 43 LYS C C 43 176.600 176.600 179.031 -2.431 18048 1392 1 4 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.535 -3.335 18048 1393 1 4 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.154 -2.155 18048 1394 1 4 . 1 1 43 43 LYS H H 43 6.530 6.530 7.675 -1.145 18048 1395 1 4 . 1 1 44 44 PHE N N 44 123.600 123.600 122.265 1.335 18048 1396 1 4 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.324 -0.384 18048 1397 1 4 . 1 1 44 44 PHE C C 44 173.300 173.300 177.118 -3.818 18048 1398 1 4 . 1 1 44 44 PHE CA C 44 60.300 60.300 59.968 0.332 18048 1399 1 4 . 1 1 44 44 PHE CB C 44 36.700 36.700 38.794 -2.094 18048 1400 1 4 . 1 1 44 44 PHE H H 44 8.610 8.610 8.535 0.075 18048 1401 1 4 . 1 1 45 45 ILE N N 45 119.600 119.600 119.522 0.078 18048 1402 1 4 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.294 0.076 18048 1403 1 4 . 1 1 45 45 ILE C C 45 174.700 174.700 177.557 -2.857 18048 1404 1 4 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.994 -2.494 18048 1405 1 4 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.530 -2.530 18048 1406 1 4 . 1 1 45 45 ILE H H 45 8.690 8.690 8.786 -0.096 18048 1407 1 4 . 1 1 46 46 ASN N N 46 115.900 115.900 118.414 -2.514 18048 1408 1 4 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.331 -0.081 18048 1409 1 4 . 1 1 46 46 ASN C C 46 173.800 173.800 177.290 -3.490 18048 1410 1 4 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.434 -2.634 18048 1411 1 4 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.387 -2.787 18048 1412 1 4 . 1 1 46 46 ASN H H 46 7.320 7.320 8.168 -0.848 18048 1413 1 4 . 1 1 47 47 TYR N N 47 120.900 120.900 120.697 0.203 18048 1414 1 4 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.190 0.100 18048 1415 1 4 . 1 1 47 47 TYR C C 47 174.400 174.400 177.929 -3.529 18048 1416 1 4 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.930 -3.730 18048 1417 1 4 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.809 -3.009 18048 1418 1 4 . 1 1 47 47 TYR H H 47 7.840 7.840 8.311 -0.471 18048 1419 1 4 . 1 1 48 48 VAL N N 48 117.800 117.800 119.670 -1.870 18048 1420 1 4 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.530 -0.060 18048 1421 1 4 . 1 1 48 48 VAL C C 48 176.300 176.300 177.928 -1.628 18048 1422 1 4 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.836 -3.036 18048 1423 1 4 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.419 -3.019 18048 1424 1 4 . 1 1 48 48 VAL H H 48 8.260 8.260 8.545 -0.285 18048 1425 1 4 . 1 1 49 49 LYS N N 49 119.700 119.700 117.001 2.699 18048 1426 1 4 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.346 -0.396 18048 1427 1 4 . 1 1 49 49 LYS C C 49 176.400 176.400 177.863 -1.463 18048 1428 1 4 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.476 -0.876 18048 1429 1 4 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.200 -2.300 18048 1430 1 4 . 1 1 49 49 LYS H H 49 8.070 8.070 8.092 -0.022 18048 1431 1 4 . 1 1 50 50 ASN N N 50 115.600 115.600 116.777 -1.177 18048 1432 1 4 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.499 -0.149 18048 1433 1 4 . 1 1 50 50 ASN C C 50 174.100 174.100 176.773 -2.673 18048 1434 1 4 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.339 -2.339 18048 1435 1 4 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.656 -2.356 18048 1436 1 4 . 1 1 50 50 ASN H H 50 8.080 8.080 7.787 0.293 18048 1437 1 4 . 1 1 51 51 CYS N N 51 115.800 115.800 117.298 -1.498 18048 1438 1 4 . 1 1 51 51 CYS C C 51 172.800 172.800 174.782 -1.982 18048 1439 1 4 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.373 -2.573 18048 1440 1 4 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.663 -4.463 18048 1441 1 4 . 1 1 51 51 CYS H H 51 8.480 8.480 7.604 0.876 18048 1442 1 4 . 1 1 52 52 PHE N N 52 112.700 112.700 119.482 -6.782 18048 1443 1 4 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.692 -0.072 18048 1444 1 4 . 1 1 52 52 PHE C C 52 171.900 171.900 174.114 -2.214 18048 1445 1 4 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.953 -2.353 18048 1446 1 4 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.835 -4.935 18048 1447 1 4 . 1 1 52 52 PHE H H 52 7.230 7.230 8.145 -0.915 18048 1448 1 4 . 1 1 53 53 ARG N N 53 114.500 114.500 125.271 -10.771 18048 1449 1 4 . 1 1 53 53 ARG C C 53 172.000 172.000 174.889 -2.889 18048 1450 1 4 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.590 -1.690 18048 1451 1 4 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.096 -4.596 18048 1452 1 4 . 1 1 53 53 ARG H H 53 7.200 7.200 7.397 -0.197 18048 1453 1 4 . 1 1 54 54 MET N N 54 116.800 116.800 120.946 -4.146 18048 1454 1 4 . 1 1 54 54 MET HA H 54 4.430 4.430 4.568 -0.138 18048 1455 1 4 . 1 1 54 54 MET C C 54 172.600 172.600 175.599 -2.999 18048 1456 1 4 . 1 1 54 54 MET CA C 54 52.800 52.800 55.902 -3.102 18048 1457 1 4 . 1 1 54 54 MET CB C 54 31.500 31.500 33.401 -1.901 18048 1458 1 4 . 1 1 54 54 MET H H 54 6.770 6.770 7.696 -0.926 18048 1459 1 4 . 1 1 55 55 THR N N 55 110.800 110.800 116.136 -5.336 18048 1460 1 4 . 1 1 55 55 THR HA H 55 4.280 4.280 4.381 -0.101 18048 1461 1 4 . 1 1 55 55 THR C C 55 171.800 171.800 173.471 -1.671 18048 1462 1 4 . 1 1 55 55 THR CA C 55 58.400 58.400 62.187 -3.787 18048 1463 1 4 . 1 1 55 55 THR CB C 55 67.400 67.400 69.510 -2.110 18048 1464 1 4 . 1 1 55 55 THR H H 55 8.480 8.480 8.532 -0.052 18048 1465 1 4 . 1 1 56 56 ASP N N 56 123.800 123.800 124.141 -0.341 18048 1466 1 4 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.744 -0.264 18048 1467 1 4 . 1 1 56 56 ASP C C 56 173.200 173.200 176.248 -3.048 18048 1468 1 4 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.620 -3.021 18048 1469 1 4 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.548 -2.448 18048 1470 1 4 . 1 1 56 56 ASP H H 56 7.450 7.450 8.144 -0.694 18048 1471 1 4 . 1 1 57 57 GLN N N 57 126.600 126.600 124.609 1.991 18048 1472 1 4 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.935 -0.135 18048 1473 1 4 . 1 1 57 57 GLN C C 57 175.400 175.400 177.239 -1.839 18048 1474 1 4 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.512 -1.912 18048 1475 1 4 . 1 1 57 57 GLN CB C 57 25.600 25.600 29.010 -3.410 18048 1476 1 4 . 1 1 57 57 GLN H H 57 8.880 8.880 8.885 -0.005 18048 1477 1 4 . 1 1 58 58 GLU N N 58 119.400 119.400 119.371 0.029 18048 1478 1 4 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.089 -0.109 18048 1479 1 4 . 1 1 58 58 GLU C C 58 175.900 175.900 177.936 -2.036 18048 1480 1 4 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.901 -2.001 18048 1481 1 4 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.662 -2.362 18048 1482 1 4 . 1 1 58 58 GLU H H 58 8.220 8.220 8.752 -0.532 18048 1483 1 4 . 1 1 59 59 ALA N N 59 123.300 123.300 121.795 1.505 18048 1484 1 4 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.209 -0.109 18048 1485 1 4 . 1 1 59 59 ALA C C 59 177.400 177.400 179.710 -2.310 18048 1486 1 4 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.453 -2.553 18048 1487 1 4 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.531 -2.631 18048 1488 1 4 . 1 1 59 59 ALA H H 59 7.710 7.710 7.540 0.170 18048 1489 1 4 . 1 1 60 60 ILE N N 60 117.300 117.300 119.750 -2.450 18048 1490 1 4 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.762 -0.262 18048 1491 1 4 . 1 1 60 60 ILE C C 60 175.100 175.100 177.947 -2.847 18048 1492 1 4 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.006 -1.206 18048 1493 1 4 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.189 -3.389 18048 1494 1 4 . 1 1 60 60 ILE H H 60 8.130 8.130 8.088 0.042 18048 1495 1 4 . 1 1 61 61 GLN N N 61 118.800 118.800 119.676 -0.876 18048 1496 1 4 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.104 0.076 18048 1497 1 4 . 1 1 61 61 GLN C C 61 175.900 175.900 178.125 -2.225 18048 1498 1 4 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.713 -2.413 18048 1499 1 4 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.658 -2.658 18048 1500 1 4 . 1 1 61 61 GLN H H 61 8.000 8.000 8.572 -0.572 18048 1501 1 4 . 1 1 62 62 ASP N N 62 121.000 121.000 121.408 -0.408 18048 1502 1 4 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.609 -0.219 18048 1503 1 4 . 1 1 62 62 ASP C C 62 177.200 177.200 178.608 -1.408 18048 1504 1 4 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.328 -2.328 18048 1505 1 4 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.880 -2.980 18048 1506 1 4 . 1 1 62 62 ASP H H 62 8.020 8.020 7.800 0.220 18048 1507 1 4 . 1 1 63 63 LEU N N 63 120.700 120.700 121.402 -0.702 18048 1508 1 4 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.130 0.070 18048 1509 1 4 . 1 1 63 63 LEU C C 63 175.600 175.600 179.153 -3.553 18048 1510 1 4 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.327 -2.927 18048 1511 1 4 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.169 -2.769 18048 1512 1 4 . 1 1 63 63 LEU H H 63 8.220 8.220 8.305 -0.085 18048 1513 1 4 . 1 1 64 64 TRP N N 64 122.400 122.400 120.464 1.936 18048 1514 1 4 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.411 -0.381 18048 1515 1 4 . 1 1 64 64 TRP C C 64 173.500 173.500 178.289 -4.789 18048 1516 1 4 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.349 -5.149 18048 1517 1 4 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.768 -2.968 18048 1518 1 4 . 1 1 64 64 TRP H H 64 8.890 8.890 8.608 0.282 18048 1519 1 4 . 1 1 65 65 GLN N N 65 116.700 116.700 117.797 -1.097 18048 1520 1 4 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.322 -1.032 18048 1521 1 4 . 1 1 65 65 GLN C C 65 176.200 176.200 179.001 -2.801 18048 1522 1 4 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.558 -2.658 18048 1523 1 4 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.018 -3.318 18048 1524 1 4 . 1 1 65 65 GLN H H 65 8.310 8.310 8.682 -0.372 18048 1525 1 4 . 1 1 66 66 TRP N N 66 119.500 119.500 120.013 -0.513 18048 1526 1 4 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.500 -0.490 18048 1527 1 4 . 1 1 66 66 TRP C C 66 175.100 175.100 177.391 -2.291 18048 1528 1 4 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.963 -1.863 18048 1529 1 4 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.774 -5.174 18048 1530 1 4 . 1 1 66 66 TRP H H 66 7.750 7.750 8.569 -0.819 18048 1531 1 4 . 1 1 67 67 ARG N N 67 122.300 122.300 116.519 5.781 18048 1532 1 4 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.092 -0.042 18048 1533 1 4 . 1 1 67 67 ARG C C 67 177.800 177.800 177.926 -0.126 18048 1534 1 4 . 1 1 67 67 ARG CA C 67 56.500 56.500 57.419 -0.919 18048 1535 1 4 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.249 -4.949 18048 1536 1 4 . 1 1 67 67 ARG H H 67 8.640 8.640 8.273 0.367 18048 1537 1 4 . 1 1 68 68 LYS N N 68 118.400 118.400 116.988 1.412 18048 1538 1 4 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.200 -0.810 18048 1539 1 4 . 1 1 68 68 LYS C C 68 173.800 173.800 177.794 -3.994 18048 1540 1 4 . 1 1 68 68 LYS CA C 68 55.500 55.500 55.983 -0.483 18048 1541 1 4 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.630 -4.630 18048 1542 1 4 . 1 1 68 68 LYS H H 68 7.860 7.860 8.020 -0.160 18048 1543 1 4 . 1 1 69 69 SER N N 69 114.500 114.500 116.616 -2.116 18048 1544 1 4 . 1 1 69 69 SER HA H 69 4.200 4.200 4.295 -0.095 18048 1545 1 4 . 1 1 69 69 SER C C 69 170.300 170.300 173.611 -3.311 18048 1546 1 4 . 1 1 69 69 SER CA C 69 55.700 55.700 58.886 -3.186 18048 1547 1 4 . 1 1 69 69 SER CB C 69 61.500 61.500 61.941 -0.441 18048 1548 1 4 . 1 1 69 69 SER H H 69 7.060 7.060 7.852 -0.792 18048 1549 1 6 . 1 1 2 2 GLU N N 2 122.400 122.400 121.958 0.442 18048 1550 1 6 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.580 -0.450 18048 1551 1 6 . 1 1 2 2 GLU C C 2 173.800 173.800 175.796 -1.996 18048 1552 1 6 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.583 -2.483 18048 1553 1 6 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.398 -3.098 18048 1554 1 6 . 1 1 2 2 GLU H H 2 8.490 8.490 8.452 0.038 18048 1555 1 6 . 1 1 3 3 SER N N 3 116.300 116.300 117.831 -1.531 18048 1556 1 6 . 1 1 3 3 SER HA H 3 4.240 4.240 4.064 0.176 18048 1557 1 6 . 1 1 3 3 SER C C 3 171.500 171.500 173.011 -1.511 18048 1558 1 6 . 1 1 3 3 SER CA C 3 55.800 55.800 57.479 -1.679 18048 1559 1 6 . 1 1 3 3 SER CB C 3 60.900 60.900 63.832 -2.932 18048 1560 1 6 . 1 1 3 3 SER H H 3 8.210 8.210 8.264 -0.054 18048 1561 1 6 . 1 1 4 4 PHE N N 4 121.700 121.700 119.755 1.945 18048 1562 1 6 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.905 -0.425 18048 1563 1 6 . 1 1 4 4 PHE C C 4 172.800 172.800 174.476 -1.676 18048 1564 1 6 . 1 1 4 4 PHE CA C 4 55.000 55.000 57.886 -2.886 18048 1565 1 6 . 1 1 4 4 PHE CB C 4 36.500 36.500 40.059 -3.559 18048 1566 1 6 . 1 1 4 4 PHE H H 4 8.040 8.040 7.811 0.229 18048 1567 1 6 . 1 1 5 5 LYS N N 5 122.600 122.600 120.932 1.668 18048 1568 1 6 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.595 -0.475 18048 1569 1 6 . 1 1 5 5 LYS C C 5 173.400 173.400 176.151 -2.751 18048 1570 1 6 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.549 -3.149 18048 1571 1 6 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.977 -2.877 18048 1572 1 6 . 1 1 5 5 LYS H H 5 7.990 7.990 8.701 -0.711 18048 1573 1 6 . 1 1 6 6 LYS N N 6 122.800 122.800 119.446 3.354 18048 1574 1 6 . 1 1 6 6 LYS C C 6 173.700 173.700 177.101 -3.401 18048 1575 1 6 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.101 -2.401 18048 1576 1 6 . 1 1 6 6 LYS H H 6 8.160 8.160 8.030 0.130 18048 1577 1 6 . 1 1 7 7 GLN N N 7 120.800 120.800 122.049 -1.249 18048 1578 1 6 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.178 0.352 18048 1579 1 6 . 1 1 7 7 GLN C C 7 173.600 173.600 175.165 -1.565 18048 1580 1 6 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.036 -2.336 18048 1581 1 6 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.251 -1.951 18048 1582 1 6 . 1 1 7 7 GLN H H 7 8.240 8.240 8.076 0.164 18048 1583 1 6 . 1 1 8 8 GLU N N 8 121.400 121.400 121.695 -0.295 18048 1584 1 6 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.412 -0.212 18048 1585 1 6 . 1 1 8 8 GLU C C 8 173.100 173.100 175.881 -2.781 18048 1586 1 6 . 1 1 8 8 GLU CA C 8 52.900 52.900 55.858 -2.958 18048 1587 1 6 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.299 -2.699 18048 1588 1 6 . 1 1 8 8 GLU H H 8 8.270 8.270 8.560 -0.290 18048 1589 1 6 . 1 1 9 9 LYS N N 9 123.000 123.000 123.754 -0.754 18048 1590 1 6 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.598 -0.358 18048 1591 1 6 . 1 1 9 9 LYS C C 9 173.700 173.700 176.733 -3.033 18048 1592 1 6 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.204 -1.704 18048 1593 1 6 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.983 -3.883 18048 1594 1 6 . 1 1 9 9 LYS H H 9 8.390 8.390 8.488 -0.098 18048 1595 1 6 . 1 1 10 10 THR N N 10 117.900 117.900 114.578 3.322 18048 1596 1 6 . 1 1 10 10 THR HA H 10 4.450 4.450 4.095 0.355 18048 1597 1 6 . 1 1 10 10 THR C C 10 170.000 170.000 173.437 -3.437 18048 1598 1 6 . 1 1 10 10 THR CA C 10 57.000 57.000 62.123 -5.122 18048 1599 1 6 . 1 1 10 10 THR CB C 10 66.800 66.800 67.803 -1.003 18048 1600 1 6 . 1 1 10 10 THR H H 10 8.140 8.140 8.434 -0.294 18048 1601 1 6 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.491 -0.181 18048 1602 1 6 . 1 1 11 11 PRO C C 11 173.800 173.800 176.756 -2.956 18048 1603 1 6 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.087 -2.687 18048 1604 1 6 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.493 -3.193 18048 1605 1 6 . 1 1 12 12 LYS N N 12 121.700 121.700 121.232 0.468 18048 1606 1 6 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.612 -0.402 18048 1607 1 6 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.137 -2.637 18048 1608 1 6 . 1 1 12 12 LYS CB C 12 30.200 30.200 32.571 -2.371 18048 1609 1 6 . 1 1 12 12 LYS H H 12 8.380 8.380 8.414 -0.034 18048 1610 1 6 . 1 1 13 13 THR N N 13 115.600 115.600 118.551 -2.951 18048 1611 1 6 . 1 1 13 13 THR HA H 13 4.360 4.360 4.574 -0.214 18048 1612 1 6 . 1 1 13 13 THR C C 13 169.800 169.800 172.784 -2.984 18048 1613 1 6 . 1 1 13 13 THR CA C 13 55.800 55.800 60.896 -5.096 18048 1614 1 6 . 1 1 13 13 THR CB C 13 67.800 67.800 69.332 -1.532 18048 1615 1 6 . 1 1 13 13 THR H H 13 7.940 7.940 7.954 -0.014 18048 1616 1 6 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.656 -0.266 18048 1617 1 6 . 1 1 14 14 PRO C C 14 174.000 174.000 175.744 -1.744 18048 1618 1 6 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.710 -2.410 18048 1619 1 6 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.339 -3.139 18048 1620 1 6 . 1 1 15 15 LYS N N 15 121.700 121.700 123.860 -2.160 18048 1621 1 6 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.579 -0.369 18048 1622 1 6 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.136 -2.636 18048 1623 1 6 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.875 -4.575 18048 1624 1 6 . 1 1 15 15 LYS H H 15 8.360 8.360 8.484 -0.124 18048 1625 1 6 . 1 1 16 16 GLY N N 16 110.100 110.100 112.377 -2.277 18048 1626 1 6 . 1 1 16 16 GLY C C 16 168.900 168.900 172.180 -3.280 18048 1627 1 6 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.827 -3.127 18048 1628 1 6 . 1 1 16 16 GLY H H 16 8.220 8.220 8.115 0.105 18048 1629 1 6 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.553 -0.173 18048 1630 1 6 . 1 1 17 17 PRO C C 17 174.600 174.600 177.023 -2.423 18048 1631 1 6 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.640 -2.140 18048 1632 1 6 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.756 -3.356 18048 1633 1 6 . 1 1 18 18 SER N N 18 116.500 116.500 115.604 0.896 18048 1634 1 6 . 1 1 18 18 SER HA H 18 4.420 4.420 4.806 -0.386 18048 1635 1 6 . 1 1 18 18 SER C C 18 171.300 171.300 173.712 -2.412 18048 1636 1 6 . 1 1 18 18 SER CA C 18 55.900 55.900 58.666 -2.766 18048 1637 1 6 . 1 1 18 18 SER CB C 18 61.400 61.400 63.218 -1.818 18048 1638 1 6 . 1 1 18 18 SER H H 18 8.520 8.520 8.501 0.019 18048 1639 1 6 . 1 1 19 19 SER N N 19 117.700 117.700 115.748 1.952 18048 1640 1 6 . 1 1 19 19 SER HA H 19 4.370 4.370 4.561 -0.191 18048 1641 1 6 . 1 1 19 19 SER C C 19 172.600 172.600 174.955 -2.355 18048 1642 1 6 . 1 1 19 19 SER CA C 19 55.500 55.500 56.367 -0.867 18048 1643 1 6 . 1 1 19 19 SER CB C 19 61.400 61.400 65.106 -3.706 18048 1644 1 6 . 1 1 19 19 SER H H 19 8.490 8.490 7.425 1.065 18048 1645 1 6 . 1 1 20 20 VAL N N 20 120.500 120.500 123.401 -2.901 18048 1646 1 6 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.302 0.188 18048 1647 1 6 . 1 1 20 20 VAL C C 20 174.300 174.300 177.197 -2.897 18048 1648 1 6 . 1 1 20 20 VAL CA C 20 63.500 63.500 66.215 -2.715 18048 1649 1 6 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.229 -2.329 18048 1650 1 6 . 1 1 20 20 VAL H H 20 8.310 8.310 8.629 -0.319 18048 1651 1 6 . 1 1 21 21 GLU N N 21 118.700 118.700 119.346 -0.646 18048 1652 1 6 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.857 -0.227 18048 1653 1 6 . 1 1 21 21 GLU C C 21 176.300 176.300 178.750 -2.450 18048 1654 1 6 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.873 -2.973 18048 1655 1 6 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.744 -2.844 18048 1656 1 6 . 1 1 21 21 GLU H H 21 8.110 8.110 8.553 -0.443 18048 1657 1 6 . 1 1 22 22 ASP N N 22 120.400 120.400 119.299 1.101 18048 1658 1 6 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.400 -0.140 18048 1659 1 6 . 1 1 22 22 ASP C C 22 175.600 175.600 177.961 -2.361 18048 1660 1 6 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.076 -2.876 18048 1661 1 6 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.817 -2.917 18048 1662 1 6 . 1 1 22 22 ASP H H 22 7.810 7.810 8.013 -0.203 18048 1663 1 6 . 1 1 23 23 ILE N N 23 120.900 120.900 119.962 0.938 18048 1664 1 6 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.734 -0.634 18048 1665 1 6 . 1 1 23 23 ILE C C 23 175.100 175.100 177.400 -2.300 18048 1666 1 6 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.151 -1.851 18048 1667 1 6 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.888 -3.588 18048 1668 1 6 . 1 1 23 23 ILE H H 23 7.670 7.670 7.547 0.123 18048 1669 1 6 . 1 1 24 24 LYS N N 24 120.000 120.000 119.564 0.436 18048 1670 1 6 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.133 -1.043 18048 1671 1 6 . 1 1 24 24 LYS C C 24 175.400 175.400 178.533 -3.133 18048 1672 1 6 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.328 -1.928 18048 1673 1 6 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.822 -2.222 18048 1674 1 6 . 1 1 24 24 LYS H H 24 8.060 8.060 8.076 -0.016 18048 1675 1 6 . 1 1 25 25 ALA N N 25 119.000 119.000 122.817 -3.817 18048 1676 1 6 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.093 -0.063 18048 1677 1 6 . 1 1 25 25 ALA C C 25 178.700 178.700 179.901 -1.201 18048 1678 1 6 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.132 -2.832 18048 1679 1 6 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.149 -3.449 18048 1680 1 6 . 1 1 25 25 ALA H H 25 7.410 7.410 7.903 -0.493 18048 1681 1 6 . 1 1 26 26 LYS N N 26 120.100 120.100 118.472 1.628 18048 1682 1 6 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.027 0.023 18048 1683 1 6 . 1 1 26 26 LYS C C 26 177.600 177.600 179.149 -1.549 18048 1684 1 6 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.296 -2.696 18048 1685 1 6 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.339 -2.739 18048 1686 1 6 . 1 1 26 26 LYS H H 26 7.760 7.760 8.295 -0.535 18048 1687 1 6 . 1 1 27 27 MET N N 27 120.900 120.900 120.130 0.770 18048 1688 1 6 . 1 1 27 27 MET HA H 27 4.220 4.220 4.284 -0.064 18048 1689 1 6 . 1 1 27 27 MET C C 27 175.900 175.900 178.974 -3.074 18048 1690 1 6 . 1 1 27 27 MET CA C 27 58.000 58.000 59.626 -1.626 18048 1691 1 6 . 1 1 27 27 MET CB C 27 30.600 30.600 33.013 -2.413 18048 1692 1 6 . 1 1 27 27 MET H H 27 8.620 8.620 8.518 0.102 18048 1693 1 6 . 1 1 28 28 GLN N N 28 119.700 119.700 117.858 1.842 18048 1694 1 6 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.097 -0.057 18048 1695 1 6 . 1 1 28 28 GLN C C 28 175.500 175.500 178.211 -2.711 18048 1696 1 6 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.811 -2.111 18048 1697 1 6 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.964 -2.264 18048 1698 1 6 . 1 1 28 28 GLN H H 28 8.970 8.970 7.996 0.974 18048 1699 1 6 . 1 1 29 29 ALA N N 29 120.900 120.900 123.029 -2.129 18048 1700 1 6 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.043 0.117 18048 1701 1 6 . 1 1 29 29 ALA C C 29 177.500 177.500 179.791 -2.291 18048 1702 1 6 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.163 -3.062 18048 1703 1 6 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.068 -3.268 18048 1704 1 6 . 1 1 29 29 ALA H H 29 7.940 7.940 8.184 -0.244 18048 1705 1 6 . 1 1 30 30 SER N N 30 112.900 112.900 115.387 -2.487 18048 1706 1 6 . 1 1 30 30 SER HA H 30 4.180 4.180 4.198 -0.018 18048 1707 1 6 . 1 1 30 30 SER CA C 30 58.900 58.900 61.708 -2.808 18048 1708 1 6 . 1 1 30 30 SER CB C 30 60.000 60.000 63.184 -3.184 18048 1709 1 6 . 1 1 30 30 SER H H 30 7.780 7.780 7.819 -0.039 18048 1710 1 6 . 1 1 31 31 ILE N N 31 122.000 122.000 122.418 -0.418 18048 1711 1 6 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.739 0.111 18048 1712 1 6 . 1 1 31 31 ILE C C 31 173.900 173.900 177.349 -3.449 18048 1713 1 6 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.923 -3.423 18048 1714 1 6 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.982 -3.082 18048 1715 1 6 . 1 1 31 31 ILE H H 31 7.940 7.940 7.932 0.008 18048 1716 1 6 . 1 1 32 32 GLU N N 32 121.800 121.800 117.260 4.540 18048 1717 1 6 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.222 -0.192 18048 1718 1 6 . 1 1 32 32 GLU C C 32 175.200 175.200 178.209 -3.009 18048 1719 1 6 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.062 -1.762 18048 1720 1 6 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.844 -3.344 18048 1721 1 6 . 1 1 32 32 GLU H H 32 8.140 8.140 8.050 0.090 18048 1722 1 6 . 1 1 33 33 LYS N N 33 116.200 116.200 117.157 -0.957 18048 1723 1 6 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.414 -0.034 18048 1724 1 6 . 1 1 33 33 LYS C C 33 173.800 173.800 177.656 -3.856 18048 1725 1 6 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.961 -4.061 18048 1726 1 6 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.982 -4.482 18048 1727 1 6 . 1 1 33 33 LYS H H 33 7.350 7.350 7.956 -0.606 18048 1728 1 6 . 1 1 34 34 GLY N N 34 107.400 107.400 104.921 2.479 18048 1729 1 6 . 1 1 34 34 GLY C C 34 172.400 172.400 174.793 -2.393 18048 1730 1 6 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.544 -2.943 18048 1731 1 6 . 1 1 34 34 GLY H H 34 7.830 7.830 8.096 -0.266 18048 1732 1 6 . 1 1 35 35 GLY N N 35 109.200 109.200 110.411 -1.211 18048 1733 1 6 . 1 1 35 35 GLY C C 35 169.500 169.500 174.997 -5.497 18048 1734 1 6 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.627 -4.027 18048 1735 1 6 . 1 1 35 35 GLY H H 35 8.330 8.330 8.217 0.113 18048 1736 1 6 . 1 1 36 36 SER N N 36 112.700 112.700 116.351 -3.651 18048 1737 1 6 . 1 1 36 36 SER HA H 36 4.610 4.610 4.557 0.053 18048 1738 1 6 . 1 1 36 36 SER C C 36 171.000 171.000 173.349 -2.349 18048 1739 1 6 . 1 1 36 36 SER CA C 36 54.000 54.000 57.645 -3.645 18048 1740 1 6 . 1 1 36 36 SER CB C 36 62.300 62.300 62.251 0.049 18048 1741 1 6 . 1 1 36 36 SER H H 36 8.150 8.150 8.294 -0.144 18048 1742 1 6 . 1 1 37 37 LEU N N 37 122.700 122.700 125.237 -2.537 18048 1743 1 6 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.499 -0.339 18048 1744 1 6 . 1 1 37 37 LEU C C 37 173.600 173.600 175.068 -1.468 18048 1745 1 6 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.396 1.004 18048 1746 1 6 . 1 1 37 37 LEU CB C 37 40.500 40.500 42.796 -2.296 18048 1747 1 6 . 1 1 37 37 LEU H H 37 8.380 8.380 7.665 0.715 18048 1748 1 6 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.716 -0.446 18048 1749 1 6 . 1 1 38 38 PRO C C 38 174.400 174.400 175.915 -1.515 18048 1750 1 6 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.536 -1.136 18048 1751 1 6 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.994 -3.194 18048 1752 1 6 . 1 1 39 39 LYS N N 39 122.300 122.300 118.021 4.279 18048 1753 1 6 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.514 -0.134 18048 1754 1 6 . 1 1 39 39 LYS C C 39 172.300 172.300 176.837 -4.537 18048 1755 1 6 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.494 -2.794 18048 1756 1 6 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.080 -1.780 18048 1757 1 6 . 1 1 39 39 LYS H H 39 8.920 8.920 8.349 0.571 18048 1758 1 6 . 1 1 40 40 VAL N N 40 118.500 118.500 122.897 -4.397 18048 1759 1 6 . 1 1 40 40 VAL HA H 40 4.280 4.280 3.941 0.339 18048 1760 1 6 . 1 1 40 40 VAL C C 40 173.600 173.600 177.242 -3.642 18048 1761 1 6 . 1 1 40 40 VAL CA C 40 58.100 58.100 62.304 -4.204 18048 1762 1 6 . 1 1 40 40 VAL CB C 40 31.400 31.400 32.399 -0.999 18048 1763 1 6 . 1 1 40 40 VAL H H 40 7.000 7.000 7.984 -0.984 18048 1764 1 6 . 1 1 41 41 GLU N N 41 131.800 131.800 129.356 2.444 18048 1765 1 6 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.685 0.265 18048 1766 1 6 . 1 1 41 41 GLU C C 41 174.700 174.700 177.959 -3.259 18048 1767 1 6 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.427 -1.727 18048 1768 1 6 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.833 -1.733 18048 1769 1 6 . 1 1 41 41 GLU H H 41 8.820 8.820 8.989 -0.169 18048 1770 1 6 . 1 1 42 42 ALA N N 42 117.700 117.700 121.389 -3.689 18048 1771 1 6 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.116 -0.326 18048 1772 1 6 . 1 1 42 42 ALA C C 42 178.000 178.000 179.895 -1.895 18048 1773 1 6 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.719 -1.819 18048 1774 1 6 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.041 -2.641 18048 1775 1 6 . 1 1 42 42 ALA H H 42 8.630 8.630 8.475 0.155 18048 1776 1 6 . 1 1 43 43 LYS N N 43 113.500 113.500 119.675 -6.175 18048 1777 1 6 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.124 -0.034 18048 1778 1 6 . 1 1 43 43 LYS C C 43 176.600 176.600 178.877 -2.277 18048 1779 1 6 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.242 -3.042 18048 1780 1 6 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.033 -2.034 18048 1781 1 6 . 1 1 43 43 LYS H H 43 6.530 6.530 7.615 -1.085 18048 1782 1 6 . 1 1 44 44 PHE N N 44 123.600 123.600 121.954 1.646 18048 1783 1 6 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.314 -0.374 18048 1784 1 6 . 1 1 44 44 PHE C C 44 173.300 173.300 177.488 -4.188 18048 1785 1 6 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.843 -1.543 18048 1786 1 6 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.279 -2.579 18048 1787 1 6 . 1 1 44 44 PHE H H 44 8.610 8.610 8.529 0.081 18048 1788 1 6 . 1 1 45 45 ILE N N 45 119.600 119.600 119.200 0.400 18048 1789 1 6 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.388 -0.018 18048 1790 1 6 . 1 1 45 45 ILE C C 45 174.700 174.700 177.353 -2.653 18048 1791 1 6 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.457 -1.957 18048 1792 1 6 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.411 -2.411 18048 1793 1 6 . 1 1 45 45 ILE H H 45 8.690 8.690 8.454 0.236 18048 1794 1 6 . 1 1 46 46 ASN N N 46 115.900 115.900 119.042 -3.142 18048 1795 1 6 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.303 -0.052 18048 1796 1 6 . 1 1 46 46 ASN C C 46 173.800 173.800 177.345 -3.545 18048 1797 1 6 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.400 -2.599 18048 1798 1 6 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.365 -2.765 18048 1799 1 6 . 1 1 46 46 ASN H H 46 7.320 7.320 8.147 -0.827 18048 1800 1 6 . 1 1 47 47 TYR N N 47 120.900 120.900 120.482 0.418 18048 1801 1 6 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.195 0.095 18048 1802 1 6 . 1 1 47 47 TYR C C 47 174.400 174.400 177.524 -3.124 18048 1803 1 6 . 1 1 47 47 TYR CA C 47 58.200 58.200 60.966 -2.766 18048 1804 1 6 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.678 -2.878 18048 1805 1 6 . 1 1 47 47 TYR H H 47 7.840 7.840 8.184 -0.344 18048 1806 1 6 . 1 1 48 48 VAL N N 48 117.800 117.800 119.566 -1.766 18048 1807 1 6 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.050 0.420 18048 1808 1 6 . 1 1 48 48 VAL C C 48 176.300 176.300 177.870 -1.570 18048 1809 1 6 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.739 -2.939 18048 1810 1 6 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.393 -2.993 18048 1811 1 6 . 1 1 48 48 VAL H H 48 8.260 8.260 8.288 -0.028 18048 1812 1 6 . 1 1 49 49 LYS N N 49 119.700 119.700 118.236 1.464 18048 1813 1 6 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.897 0.053 18048 1814 1 6 . 1 1 49 49 LYS C C 49 176.400 176.400 178.115 -1.715 18048 1815 1 6 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.718 -1.117 18048 1816 1 6 . 1 1 49 49 LYS CB C 49 29.900 29.900 31.787 -1.887 18048 1817 1 6 . 1 1 49 49 LYS H H 49 8.070 8.070 8.270 -0.200 18048 1818 1 6 . 1 1 50 50 ASN N N 50 115.600 115.600 115.011 0.589 18048 1819 1 6 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.458 -0.108 18048 1820 1 6 . 1 1 50 50 ASN C C 50 174.100 174.100 175.885 -1.785 18048 1821 1 6 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.278 -2.278 18048 1822 1 6 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.704 -2.404 18048 1823 1 6 . 1 1 50 50 ASN H H 50 8.080 8.080 7.747 0.333 18048 1824 1 6 . 1 1 51 51 CYS N N 51 115.800 115.800 115.767 0.033 18048 1825 1 6 . 1 1 51 51 CYS C C 51 172.800 172.800 173.057 -0.257 18048 1826 1 6 . 1 1 51 51 CYS CA C 51 58.800 58.800 59.301 -0.501 18048 1827 1 6 . 1 1 51 51 CYS CB C 51 24.200 24.200 30.457 -6.257 18048 1828 1 6 . 1 1 51 51 CYS H H 51 8.480 8.480 7.383 1.097 18048 1829 1 6 . 1 1 52 52 PHE N N 52 112.700 112.700 119.881 -7.181 18048 1830 1 6 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.657 -0.037 18048 1831 1 6 . 1 1 52 52 PHE C C 52 171.900 171.900 173.580 -1.680 18048 1832 1 6 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.396 -2.796 18048 1833 1 6 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.907 -5.007 18048 1834 1 6 . 1 1 52 52 PHE H H 52 7.230 7.230 8.491 -1.261 18048 1835 1 6 . 1 1 53 53 ARG N N 53 114.500 114.500 128.292 -13.792 18048 1836 1 6 . 1 1 53 53 ARG C C 53 172.000 172.000 175.361 -3.361 18048 1837 1 6 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.632 -1.732 18048 1838 1 6 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.949 -4.449 18048 1839 1 6 . 1 1 53 53 ARG H H 53 7.200 7.200 8.327 -1.127 18048 1840 1 6 . 1 1 54 54 MET N N 54 116.800 116.800 122.235 -5.435 18048 1841 1 6 . 1 1 54 54 MET HA H 54 4.430 4.430 4.460 -0.030 18048 1842 1 6 . 1 1 54 54 MET C C 54 172.600 172.600 177.383 -4.783 18048 1843 1 6 . 1 1 54 54 MET CA C 54 52.800 52.800 56.740 -3.940 18048 1844 1 6 . 1 1 54 54 MET CB C 54 31.500 31.500 33.247 -1.747 18048 1845 1 6 . 1 1 54 54 MET H H 54 6.770 6.770 8.427 -1.657 18048 1846 1 6 . 1 1 55 55 THR N N 55 110.800 110.800 109.386 1.414 18048 1847 1 6 . 1 1 55 55 THR HA H 55 4.280 4.280 4.504 -0.224 18048 1848 1 6 . 1 1 55 55 THR C C 55 171.800 171.800 174.308 -2.508 18048 1849 1 6 . 1 1 55 55 THR CA C 55 58.400 58.400 61.788 -3.388 18048 1850 1 6 . 1 1 55 55 THR CB C 55 67.400 67.400 69.676 -2.276 18048 1851 1 6 . 1 1 55 55 THR H H 55 8.480 8.480 8.615 -0.135 18048 1852 1 6 . 1 1 56 56 ASP N N 56 123.800 123.800 124.661 -0.861 18048 1853 1 6 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.638 -0.158 18048 1854 1 6 . 1 1 56 56 ASP C C 56 173.200 173.200 176.493 -3.293 18048 1855 1 6 . 1 1 56 56 ASP CA C 56 51.600 51.600 55.164 -3.564 18048 1856 1 6 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.062 -0.962 18048 1857 1 6 . 1 1 56 56 ASP H H 56 7.450 7.450 8.474 -1.024 18048 1858 1 6 . 1 1 57 57 GLN N N 57 126.600 126.600 123.768 2.832 18048 1859 1 6 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.988 -0.188 18048 1860 1 6 . 1 1 57 57 GLN C C 57 175.400 175.400 177.035 -1.635 18048 1861 1 6 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.990 -2.390 18048 1862 1 6 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.681 -3.081 18048 1863 1 6 . 1 1 57 57 GLN H H 57 8.880 8.880 8.193 0.687 18048 1864 1 6 . 1 1 58 58 GLU N N 58 119.400 119.400 119.041 0.359 18048 1865 1 6 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.134 -0.154 18048 1866 1 6 . 1 1 58 58 GLU C C 58 175.900 175.900 178.130 -2.230 18048 1867 1 6 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.837 -1.937 18048 1868 1 6 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.726 -2.426 18048 1869 1 6 . 1 1 58 58 GLU H H 58 8.220 8.220 8.705 -0.485 18048 1870 1 6 . 1 1 59 59 ALA N N 59 123.300 123.300 122.347 0.953 18048 1871 1 6 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.240 -0.140 18048 1872 1 6 . 1 1 59 59 ALA C C 59 177.400 177.400 179.690 -2.290 18048 1873 1 6 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.487 -2.587 18048 1874 1 6 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.534 -2.634 18048 1875 1 6 . 1 1 59 59 ALA H H 59 7.710 7.710 7.565 0.145 18048 1876 1 6 . 1 1 60 60 ILE N N 60 117.300 117.300 120.361 -3.061 18048 1877 1 6 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.779 -0.279 18048 1878 1 6 . 1 1 60 60 ILE C C 60 175.100 175.100 178.211 -3.111 18048 1879 1 6 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.377 -1.577 18048 1880 1 6 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.178 -3.378 18048 1881 1 6 . 1 1 60 60 ILE H H 60 8.130 8.130 8.435 -0.305 18048 1882 1 6 . 1 1 61 61 GLN N N 61 118.800 118.800 118.577 0.223 18048 1883 1 6 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.482 -0.302 18048 1884 1 6 . 1 1 61 61 GLN C C 61 175.900 175.900 178.137 -2.237 18048 1885 1 6 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.736 -2.436 18048 1886 1 6 . 1 1 61 61 GLN CB C 61 25.000 25.000 28.008 -3.008 18048 1887 1 6 . 1 1 61 61 GLN H H 61 8.000 8.000 8.583 -0.583 18048 1888 1 6 . 1 1 62 62 ASP N N 62 121.000 121.000 121.563 -0.563 18048 1889 1 6 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.455 -0.065 18048 1890 1 6 . 1 1 62 62 ASP C C 62 177.200 177.200 178.204 -1.004 18048 1891 1 6 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.331 -2.331 18048 1892 1 6 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.003 -3.103 18048 1893 1 6 . 1 1 62 62 ASP H H 62 8.020 8.020 7.916 0.104 18048 1894 1 6 . 1 1 63 63 LEU N N 63 120.700 120.700 121.594 -0.894 18048 1895 1 6 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.179 0.021 18048 1896 1 6 . 1 1 63 63 LEU C C 63 175.600 175.600 178.642 -3.042 18048 1897 1 6 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.171 -2.771 18048 1898 1 6 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.955 -2.555 18048 1899 1 6 . 1 1 63 63 LEU H H 63 8.220 8.220 8.174 0.046 18048 1900 1 6 . 1 1 64 64 TRP N N 64 122.400 122.400 120.907 1.493 18048 1901 1 6 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.892 0.138 18048 1902 1 6 . 1 1 64 64 TRP C C 64 173.500 173.500 177.840 -4.340 18048 1903 1 6 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.155 -4.955 18048 1904 1 6 . 1 1 64 64 TRP CB C 64 26.800 26.800 28.737 -1.937 18048 1905 1 6 . 1 1 64 64 TRP H H 64 8.890 8.890 8.685 0.205 18048 1906 1 6 . 1 1 65 65 GLN N N 65 116.700 116.700 118.158 -1.458 18048 1907 1 6 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.650 -0.360 18048 1908 1 6 . 1 1 65 65 GLN C C 65 176.200 176.200 178.443 -2.243 18048 1909 1 6 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.043 -3.143 18048 1910 1 6 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.995 -3.295 18048 1911 1 6 . 1 1 65 65 GLN H H 65 8.310 8.310 8.046 0.264 18048 1912 1 6 . 1 1 66 66 TRP N N 66 119.500 119.500 120.647 -1.147 18048 1913 1 6 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.336 -0.326 18048 1914 1 6 . 1 1 66 66 TRP C C 66 175.100 175.100 178.995 -3.895 18048 1915 1 6 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.664 -2.564 18048 1916 1 6 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.510 -4.910 18048 1917 1 6 . 1 1 66 66 TRP H H 66 7.750 7.750 8.627 -0.877 18048 1918 1 6 . 1 1 67 67 ARG N N 67 122.300 122.300 120.489 1.811 18048 1919 1 6 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.091 -0.041 18048 1920 1 6 . 1 1 67 67 ARG C C 67 177.800 177.800 178.666 -0.866 18048 1921 1 6 . 1 1 67 67 ARG CA C 67 56.500 56.500 59.542 -3.042 18048 1922 1 6 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.157 -4.857 18048 1923 1 6 . 1 1 67 67 ARG H H 67 8.640 8.640 8.046 0.594 18048 1924 1 6 . 1 1 68 68 LYS N N 68 118.400 118.400 118.720 -0.320 18048 1925 1 6 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.190 -0.800 18048 1926 1 6 . 1 1 68 68 LYS C C 68 173.800 173.800 177.445 -3.645 18048 1927 1 6 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.330 -2.830 18048 1928 1 6 . 1 1 68 68 LYS CB C 68 28.000 28.000 31.419 -3.419 18048 1929 1 6 . 1 1 68 68 LYS H H 68 7.860 7.860 8.114 -0.254 18048 1930 1 6 . 1 1 69 69 SER N N 69 114.500 114.500 114.456 0.044 18048 1931 1 6 . 1 1 69 69 SER HA H 69 4.200 4.200 4.265 -0.065 18048 1932 1 6 . 1 1 69 69 SER C C 69 170.300 170.300 174.266 -3.966 18048 1933 1 6 . 1 1 69 69 SER CA C 69 55.700 55.700 58.567 -2.867 18048 1934 1 6 . 1 1 69 69 SER CB C 69 61.500 61.500 63.246 -1.746 18048 1935 1 6 . 1 1 69 69 SER H H 69 7.060 7.060 7.530 -0.470 18048 1936 1 7 . 1 1 2 2 GLU N N 2 122.400 122.400 121.554 0.846 18048 1937 1 7 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.463 -0.333 18048 1938 1 7 . 1 1 2 2 GLU C C 2 173.800 173.800 175.744 -1.944 18048 1939 1 7 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.115 -2.015 18048 1940 1 7 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.073 -2.773 18048 1941 1 7 . 1 1 2 2 GLU H H 2 8.490 8.490 8.914 -0.424 18048 1942 1 7 . 1 1 3 3 SER N N 3 116.300 116.300 113.185 3.115 18048 1943 1 7 . 1 1 3 3 SER HA H 3 4.240 4.240 4.364 -0.124 18048 1944 1 7 . 1 1 3 3 SER C C 3 171.500 171.500 173.983 -2.483 18048 1945 1 7 . 1 1 3 3 SER CA C 3 55.800 55.800 58.319 -2.519 18048 1946 1 7 . 1 1 3 3 SER CB C 3 60.900 60.900 63.841 -2.941 18048 1947 1 7 . 1 1 3 3 SER H H 3 8.210 8.210 7.852 0.358 18048 1948 1 7 . 1 1 4 4 PHE N N 4 121.700 121.700 122.758 -1.058 18048 1949 1 7 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.427 0.053 18048 1950 1 7 . 1 1 4 4 PHE C C 4 172.800 172.800 176.726 -3.926 18048 1951 1 7 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.629 -3.629 18048 1952 1 7 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.105 -2.605 18048 1953 1 7 . 1 1 4 4 PHE H H 4 8.040 8.040 8.910 -0.870 18048 1954 1 7 . 1 1 5 5 LYS N N 5 122.600 122.600 116.547 6.053 18048 1955 1 7 . 1 1 5 5 LYS HA H 5 4.120 4.120 3.956 0.164 18048 1956 1 7 . 1 1 5 5 LYS C C 5 173.400 173.400 175.890 -2.490 18048 1957 1 7 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.481 -3.081 18048 1958 1 7 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.127 -2.027 18048 1959 1 7 . 1 1 5 5 LYS H H 5 7.990 7.990 8.288 -0.298 18048 1960 1 7 . 1 1 6 6 LYS N N 6 122.800 122.800 120.270 2.530 18048 1961 1 7 . 1 1 6 6 LYS C C 6 173.700 173.700 177.606 -3.906 18048 1962 1 7 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.322 -3.623 18048 1963 1 7 . 1 1 6 6 LYS H H 6 8.160 8.160 8.597 -0.437 18048 1964 1 7 . 1 1 7 7 GLN N N 7 120.800 120.800 121.064 -0.264 18048 1965 1 7 . 1 1 7 7 GLN HA H 7 4.530 4.530 3.806 0.724 18048 1966 1 7 . 1 1 7 7 GLN C C 7 173.600 173.600 177.034 -3.434 18048 1967 1 7 . 1 1 7 7 GLN CA C 7 53.700 53.700 58.103 -4.403 18048 1968 1 7 . 1 1 7 7 GLN CB C 7 27.300 27.300 27.704 -0.405 18048 1969 1 7 . 1 1 7 7 GLN H H 7 8.240 8.240 8.942 -0.702 18048 1970 1 7 . 1 1 8 8 GLU N N 8 121.400 121.400 115.904 5.496 18048 1971 1 7 . 1 1 8 8 GLU HA H 8 4.200 4.200 3.895 0.305 18048 1972 1 7 . 1 1 8 8 GLU C C 8 173.100 173.100 176.218 -3.118 18048 1973 1 7 . 1 1 8 8 GLU CA C 8 52.900 52.900 57.838 -4.938 18048 1974 1 7 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.055 -1.455 18048 1975 1 7 . 1 1 8 8 GLU H H 8 8.270 8.270 8.475 -0.205 18048 1976 1 7 . 1 1 9 9 LYS N N 9 123.000 123.000 118.701 4.299 18048 1977 1 7 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.018 0.222 18048 1978 1 7 . 1 1 9 9 LYS C C 9 173.700 173.700 175.688 -1.988 18048 1979 1 7 . 1 1 9 9 LYS CA C 9 53.500 53.500 57.309 -3.809 18048 1980 1 7 . 1 1 9 9 LYS CB C 9 30.100 30.100 30.415 -0.315 18048 1981 1 7 . 1 1 9 9 LYS H H 9 8.390 8.390 8.271 0.119 18048 1982 1 7 . 1 1 10 10 THR N N 10 117.900 117.900 109.710 8.190 18048 1983 1 7 . 1 1 10 10 THR HA H 10 4.450 4.450 4.643 -0.193 18048 1984 1 7 . 1 1 10 10 THR C C 10 170.000 170.000 173.241 -3.241 18048 1985 1 7 . 1 1 10 10 THR CA C 10 57.000 57.000 59.872 -2.872 18048 1986 1 7 . 1 1 10 10 THR CB C 10 66.800 66.800 68.766 -1.966 18048 1987 1 7 . 1 1 10 10 THR H H 10 8.140 8.140 7.909 0.231 18048 1988 1 7 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.326 -0.016 18048 1989 1 7 . 1 1 11 11 PRO C C 11 173.800 173.800 176.699 -2.899 18048 1990 1 7 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.503 -3.103 18048 1991 1 7 . 1 1 11 11 PRO CB C 11 29.300 29.300 31.902 -2.602 18048 1992 1 7 . 1 1 12 12 LYS N N 12 121.700 121.700 115.970 5.730 18048 1993 1 7 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.071 0.139 18048 1994 1 7 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.722 -3.222 18048 1995 1 7 . 1 1 12 12 LYS CB C 12 30.200 30.200 31.664 -1.464 18048 1996 1 7 . 1 1 12 12 LYS H H 12 8.380 8.380 7.868 0.512 18048 1997 1 7 . 1 1 13 13 THR N N 13 115.600 115.600 112.563 3.037 18048 1998 1 7 . 1 1 13 13 THR HA H 13 4.360 4.360 4.114 0.246 18048 1999 1 7 . 1 1 13 13 THR C C 13 169.800 169.800 172.810 -3.010 18048 2000 1 7 . 1 1 13 13 THR CA C 13 55.800 55.800 62.437 -6.637 18048 2001 1 7 . 1 1 13 13 THR CB C 13 67.800 67.800 67.615 0.185 18048 2002 1 7 . 1 1 13 13 THR H H 13 7.940 7.940 8.352 -0.412 18048 2003 1 7 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.448 -0.058 18048 2004 1 7 . 1 1 14 14 PRO C C 14 174.000 174.000 176.988 -2.988 18048 2005 1 7 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.002 -2.702 18048 2006 1 7 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.272 -3.072 18048 2007 1 7 . 1 1 15 15 LYS N N 15 121.700 121.700 122.396 -0.696 18048 2008 1 7 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.552 -0.342 18048 2009 1 7 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.782 -2.282 18048 2010 1 7 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.992 -3.692 18048 2011 1 7 . 1 1 15 15 LYS H H 15 8.360 8.360 8.298 0.062 18048 2012 1 7 . 1 1 16 16 GLY N N 16 110.100 110.100 111.650 -1.550 18048 2013 1 7 . 1 1 16 16 GLY C C 16 168.900 168.900 171.880 -2.980 18048 2014 1 7 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.855 -3.155 18048 2015 1 7 . 1 1 16 16 GLY H H 16 8.220 8.220 8.269 -0.049 18048 2016 1 7 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.635 -0.255 18048 2017 1 7 . 1 1 17 17 PRO C C 17 174.600 174.600 177.480 -2.880 18048 2018 1 7 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.246 -1.746 18048 2019 1 7 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.459 -3.059 18048 2020 1 7 . 1 1 18 18 SER N N 18 116.500 116.500 118.392 -1.892 18048 2021 1 7 . 1 1 18 18 SER HA H 18 4.420 4.420 4.189 0.231 18048 2022 1 7 . 1 1 18 18 SER C C 18 171.300 171.300 174.286 -2.986 18048 2023 1 7 . 1 1 18 18 SER CA C 18 55.900 55.900 59.566 -3.666 18048 2024 1 7 . 1 1 18 18 SER CB C 18 61.400 61.400 62.574 -1.174 18048 2025 1 7 . 1 1 18 18 SER H H 18 8.520 8.520 8.665 -0.145 18048 2026 1 7 . 1 1 19 19 SER N N 19 117.700 117.700 116.425 1.275 18048 2027 1 7 . 1 1 19 19 SER HA H 19 4.370 4.370 4.475 -0.105 18048 2028 1 7 . 1 1 19 19 SER C C 19 172.600 172.600 174.187 -1.587 18048 2029 1 7 . 1 1 19 19 SER CA C 19 55.500 55.500 59.247 -3.747 18048 2030 1 7 . 1 1 19 19 SER CB C 19 61.400 61.400 64.231 -2.831 18048 2031 1 7 . 1 1 19 19 SER H H 19 8.490 8.490 8.173 0.317 18048 2032 1 7 . 1 1 20 20 VAL N N 20 120.500 120.500 120.560 -0.060 18048 2033 1 7 . 1 1 20 20 VAL HA H 20 3.490 3.490 4.285 -0.795 18048 2034 1 7 . 1 1 20 20 VAL C C 20 174.300 174.300 176.385 -2.085 18048 2035 1 7 . 1 1 20 20 VAL CA C 20 63.500 63.500 62.748 0.752 18048 2036 1 7 . 1 1 20 20 VAL CB C 20 28.900 28.900 33.189 -4.289 18048 2037 1 7 . 1 1 20 20 VAL H H 20 8.310 8.310 8.079 0.231 18048 2038 1 7 . 1 1 21 21 GLU N N 21 118.700 118.700 121.178 -2.478 18048 2039 1 7 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.886 -0.256 18048 2040 1 7 . 1 1 21 21 GLU C C 21 176.300 176.300 178.514 -2.214 18048 2041 1 7 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.468 -2.568 18048 2042 1 7 . 1 1 21 21 GLU CB C 21 25.900 25.900 29.032 -3.132 18048 2043 1 7 . 1 1 21 21 GLU H H 21 8.110 8.110 8.753 -0.643 18048 2044 1 7 . 1 1 22 22 ASP N N 22 120.400 120.400 120.911 -0.511 18048 2045 1 7 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.311 -0.051 18048 2046 1 7 . 1 1 22 22 ASP C C 22 175.600 175.600 178.130 -2.530 18048 2047 1 7 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.601 -3.401 18048 2048 1 7 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.689 -2.789 18048 2049 1 7 . 1 1 22 22 ASP H H 22 7.810 7.810 7.728 0.082 18048 2050 1 7 . 1 1 23 23 ILE N N 23 120.900 120.900 119.708 1.192 18048 2051 1 7 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.741 -0.641 18048 2052 1 7 . 1 1 23 23 ILE C C 23 175.100 175.100 177.683 -2.583 18048 2053 1 7 . 1 1 23 23 ILE CA C 23 62.300 62.300 63.776 -1.476 18048 2054 1 7 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.842 -3.542 18048 2055 1 7 . 1 1 23 23 ILE H H 23 7.670 7.670 7.440 0.230 18048 2056 1 7 . 1 1 24 24 LYS N N 24 120.000 120.000 120.382 -0.382 18048 2057 1 7 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.986 -0.896 18048 2058 1 7 . 1 1 24 24 LYS C C 24 175.400 175.400 178.947 -3.547 18048 2059 1 7 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.400 -2.000 18048 2060 1 7 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.549 -1.949 18048 2061 1 7 . 1 1 24 24 LYS H H 24 8.060 8.060 8.076 -0.016 18048 2062 1 7 . 1 1 25 25 ALA N N 25 119.000 119.000 121.417 -2.417 18048 2063 1 7 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.086 -0.056 18048 2064 1 7 . 1 1 25 25 ALA C C 25 178.700 178.700 180.114 -1.414 18048 2065 1 7 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.181 -2.881 18048 2066 1 7 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.172 -3.472 18048 2067 1 7 . 1 1 25 25 ALA H H 25 7.410 7.410 8.066 -0.656 18048 2068 1 7 . 1 1 26 26 LYS N N 26 120.100 120.100 118.207 1.893 18048 2069 1 7 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.029 0.021 18048 2070 1 7 . 1 1 26 26 LYS C C 26 177.600 177.600 179.194 -1.594 18048 2071 1 7 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.576 -2.976 18048 2072 1 7 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.420 -2.820 18048 2073 1 7 . 1 1 26 26 LYS H H 26 7.760 7.760 8.277 -0.517 18048 2074 1 7 . 1 1 27 27 MET N N 27 120.900 120.900 119.740 1.160 18048 2075 1 7 . 1 1 27 27 MET HA H 27 4.220 4.220 4.388 -0.169 18048 2076 1 7 . 1 1 27 27 MET C C 27 175.900 175.900 178.681 -2.781 18048 2077 1 7 . 1 1 27 27 MET CA C 27 58.000 58.000 59.229 -1.229 18048 2078 1 7 . 1 1 27 27 MET CB C 27 30.600 30.600 33.111 -2.511 18048 2079 1 7 . 1 1 27 27 MET H H 27 8.620 8.620 8.174 0.446 18048 2080 1 7 . 1 1 28 28 GLN N N 28 119.700 119.700 118.495 1.205 18048 2081 1 7 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.208 -0.168 18048 2082 1 7 . 1 1 28 28 GLN C C 28 175.500 175.500 178.434 -2.934 18048 2083 1 7 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.162 -1.462 18048 2084 1 7 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.564 -1.864 18048 2085 1 7 . 1 1 28 28 GLN H H 28 8.970 8.970 8.841 0.129 18048 2086 1 7 . 1 1 29 29 ALA N N 29 120.900 120.900 122.422 -1.522 18048 2087 1 7 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.055 0.105 18048 2088 1 7 . 1 1 29 29 ALA C C 29 177.500 177.500 179.887 -2.387 18048 2089 1 7 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.054 -2.954 18048 2090 1 7 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.039 -3.239 18048 2091 1 7 . 1 1 29 29 ALA H H 29 7.940 7.940 8.357 -0.417 18048 2092 1 7 . 1 1 30 30 SER N N 30 112.900 112.900 114.853 -1.953 18048 2093 1 7 . 1 1 30 30 SER HA H 30 4.180 4.180 4.230 -0.050 18048 2094 1 7 . 1 1 30 30 SER CA C 30 58.900 58.900 61.841 -2.941 18048 2095 1 7 . 1 1 30 30 SER CB C 30 60.000 60.000 63.181 -3.181 18048 2096 1 7 . 1 1 30 30 SER H H 30 7.780 7.780 7.780 -0.000 18048 2097 1 7 . 1 1 31 31 ILE N N 31 122.000 122.000 122.466 -0.466 18048 2098 1 7 . 1 1 31 31 ILE HA H 31 3.850 3.850 4.065 -0.215 18048 2099 1 7 . 1 1 31 31 ILE C C 31 173.900 173.900 178.077 -4.177 18048 2100 1 7 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.344 -2.844 18048 2101 1 7 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.026 -3.126 18048 2102 1 7 . 1 1 31 31 ILE H H 31 7.940 7.940 8.147 -0.207 18048 2103 1 7 . 1 1 32 32 GLU N N 32 121.800 121.800 119.910 1.890 18048 2104 1 7 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.137 -0.107 18048 2105 1 7 . 1 1 32 32 GLU C C 32 175.200 175.200 178.160 -2.960 18048 2106 1 7 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.701 -2.401 18048 2107 1 7 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.414 -2.914 18048 2108 1 7 . 1 1 32 32 GLU H H 32 8.140 8.140 8.166 -0.026 18048 2109 1 7 . 1 1 33 33 LYS N N 33 116.200 116.200 117.644 -1.444 18048 2110 1 7 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.384 -0.004 18048 2111 1 7 . 1 1 33 33 LYS C C 33 173.800 173.800 176.831 -3.031 18048 2112 1 7 . 1 1 33 33 LYS CA C 33 52.900 52.900 55.611 -2.711 18048 2113 1 7 . 1 1 33 33 LYS CB C 33 29.500 29.500 32.297 -2.797 18048 2114 1 7 . 1 1 33 33 LYS H H 33 7.350 7.350 8.179 -0.829 18048 2115 1 7 . 1 1 34 34 GLY N N 34 107.400 107.400 106.798 0.602 18048 2116 1 7 . 1 1 34 34 GLY C C 34 172.400 172.400 175.174 -2.774 18048 2117 1 7 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.852 -2.252 18048 2118 1 7 . 1 1 34 34 GLY H H 34 7.830 7.830 7.657 0.173 18048 2119 1 7 . 1 1 35 35 GLY N N 35 109.200 109.200 109.878 -0.678 18048 2120 1 7 . 1 1 35 35 GLY C C 35 169.500 169.500 173.526 -4.026 18048 2121 1 7 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.404 -2.804 18048 2122 1 7 . 1 1 35 35 GLY H H 35 8.330 8.330 8.501 -0.171 18048 2123 1 7 . 1 1 36 36 SER N N 36 112.700 112.700 112.481 0.219 18048 2124 1 7 . 1 1 36 36 SER HA H 36 4.610 4.610 4.534 0.076 18048 2125 1 7 . 1 1 36 36 SER C C 36 171.000 171.000 173.321 -2.321 18048 2126 1 7 . 1 1 36 36 SER CA C 36 54.000 54.000 57.258 -3.257 18048 2127 1 7 . 1 1 36 36 SER CB C 36 62.300 62.300 65.800 -3.500 18048 2128 1 7 . 1 1 36 36 SER H H 36 8.150 8.150 8.274 -0.124 18048 2129 1 7 . 1 1 37 37 LEU N N 37 122.700 122.700 122.852 -0.152 18048 2130 1 7 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.491 -0.331 18048 2131 1 7 . 1 1 37 37 LEU C C 37 173.600 173.600 175.048 -1.448 18048 2132 1 7 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.729 0.671 18048 2133 1 7 . 1 1 37 37 LEU CB C 37 40.500 40.500 41.777 -1.277 18048 2134 1 7 . 1 1 37 37 LEU H H 37 8.380 8.380 8.383 -0.003 18048 2135 1 7 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.469 -0.199 18048 2136 1 7 . 1 1 38 38 PRO C C 38 174.400 174.400 176.100 -1.700 18048 2137 1 7 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.871 -1.472 18048 2138 1 7 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.814 -3.014 18048 2139 1 7 . 1 1 39 39 LYS N N 39 122.300 122.300 119.499 2.801 18048 2140 1 7 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.251 0.129 18048 2141 1 7 . 1 1 39 39 LYS C C 39 172.300 172.300 176.280 -3.980 18048 2142 1 7 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.999 -3.299 18048 2143 1 7 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.787 -1.487 18048 2144 1 7 . 1 1 39 39 LYS H H 39 8.920 8.920 8.279 0.641 18048 2145 1 7 . 1 1 40 40 VAL N N 40 118.500 118.500 123.306 -4.806 18048 2146 1 7 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.201 0.079 18048 2147 1 7 . 1 1 40 40 VAL C C 40 173.600 173.600 177.426 -3.826 18048 2148 1 7 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.879 -3.779 18048 2149 1 7 . 1 1 40 40 VAL CB C 40 31.400 31.400 32.417 -1.018 18048 2150 1 7 . 1 1 40 40 VAL H H 40 7.000 7.000 7.784 -0.784 18048 2151 1 7 . 1 1 41 41 GLU N N 41 131.800 131.800 130.482 1.318 18048 2152 1 7 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.299 -0.349 18048 2153 1 7 . 1 1 41 41 GLU C C 41 174.700 174.700 178.005 -3.305 18048 2154 1 7 . 1 1 41 41 GLU CA C 41 57.700 57.700 60.048 -2.348 18048 2155 1 7 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.048 -1.948 18048 2156 1 7 . 1 1 41 41 GLU H H 41 8.820 8.820 9.157 -0.337 18048 2157 1 7 . 1 1 42 42 ALA N N 42 117.700 117.700 121.932 -4.232 18048 2158 1 7 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.202 -0.412 18048 2159 1 7 . 1 1 42 42 ALA C C 42 178.000 178.000 180.076 -2.076 18048 2160 1 7 . 1 1 42 42 ALA CA C 42 52.900 52.900 55.093 -2.193 18048 2161 1 7 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.203 -2.803 18048 2162 1 7 . 1 1 42 42 ALA H H 42 8.630 8.630 8.667 -0.037 18048 2163 1 7 . 1 1 43 43 LYS N N 43 113.500 113.500 119.252 -5.752 18048 2164 1 7 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.260 -0.170 18048 2165 1 7 . 1 1 43 43 LYS C C 43 176.600 176.600 178.815 -2.215 18048 2166 1 7 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.037 -2.837 18048 2167 1 7 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.174 -2.174 18048 2168 1 7 . 1 1 43 43 LYS H H 43 6.530 6.530 7.648 -1.118 18048 2169 1 7 . 1 1 44 44 PHE N N 44 123.600 123.600 122.577 1.023 18048 2170 1 7 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.343 -0.403 18048 2171 1 7 . 1 1 44 44 PHE C C 44 173.300 173.300 177.577 -4.277 18048 2172 1 7 . 1 1 44 44 PHE CA C 44 60.300 60.300 62.005 -1.705 18048 2173 1 7 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.435 -2.735 18048 2174 1 7 . 1 1 44 44 PHE H H 44 8.610 8.610 8.706 -0.096 18048 2175 1 7 . 1 1 45 45 ILE N N 45 119.600 119.600 118.779 0.821 18048 2176 1 7 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.400 -0.030 18048 2177 1 7 . 1 1 45 45 ILE C C 45 174.700 174.700 177.405 -2.705 18048 2178 1 7 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.463 -1.963 18048 2179 1 7 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.436 -2.436 18048 2180 1 7 . 1 1 45 45 ILE H H 45 8.690 8.690 8.922 -0.232 18048 2181 1 7 . 1 1 46 46 ASN N N 46 115.900 115.900 119.250 -3.350 18048 2182 1 7 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.323 -0.073 18048 2183 1 7 . 1 1 46 46 ASN C C 46 173.800 173.800 177.102 -3.302 18048 2184 1 7 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.435 -2.635 18048 2185 1 7 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.311 -2.711 18048 2186 1 7 . 1 1 46 46 ASN H H 46 7.320 7.320 7.942 -0.622 18048 2187 1 7 . 1 1 47 47 TYR N N 47 120.900 120.900 120.818 0.082 18048 2188 1 7 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.186 0.104 18048 2189 1 7 . 1 1 47 47 TYR C C 47 174.400 174.400 177.657 -3.257 18048 2190 1 7 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.661 -3.461 18048 2191 1 7 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.444 -2.644 18048 2192 1 7 . 1 1 47 47 TYR H H 47 7.840 7.840 8.484 -0.644 18048 2193 1 7 . 1 1 48 48 VAL N N 48 117.800 117.800 120.632 -2.832 18048 2194 1 7 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.244 0.226 18048 2195 1 7 . 1 1 48 48 VAL C C 48 176.300 176.300 177.611 -1.311 18048 2196 1 7 . 1 1 48 48 VAL CA C 48 63.800 63.800 67.179 -3.379 18048 2197 1 7 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.175 -2.775 18048 2198 1 7 . 1 1 48 48 VAL H H 48 8.260 8.260 8.461 -0.201 18048 2199 1 7 . 1 1 49 49 LYS N N 49 119.700 119.700 118.401 1.299 18048 2200 1 7 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.789 0.161 18048 2201 1 7 . 1 1 49 49 LYS C C 49 176.400 176.400 178.782 -2.382 18048 2202 1 7 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.304 -1.704 18048 2203 1 7 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.072 -2.172 18048 2204 1 7 . 1 1 49 49 LYS H H 49 8.070 8.070 8.062 0.008 18048 2205 1 7 . 1 1 50 50 ASN N N 50 115.600 115.600 117.156 -1.556 18048 2206 1 7 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.462 -0.112 18048 2207 1 7 . 1 1 50 50 ASN C C 50 174.100 174.100 177.005 -2.905 18048 2208 1 7 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.451 -2.451 18048 2209 1 7 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.564 -2.264 18048 2210 1 7 . 1 1 50 50 ASN H H 50 8.080 8.080 8.159 -0.079 18048 2211 1 7 . 1 1 51 51 CYS N N 51 115.800 115.800 116.983 -1.183 18048 2212 1 7 . 1 1 51 51 CYS C C 51 172.800 172.800 173.540 -0.740 18048 2213 1 7 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.330 -3.530 18048 2214 1 7 . 1 1 51 51 CYS CB C 51 24.200 24.200 29.177 -4.977 18048 2215 1 7 . 1 1 51 51 CYS H H 51 8.480 8.480 7.594 0.886 18048 2216 1 7 . 1 1 52 52 PHE N N 52 112.700 112.700 117.397 -4.697 18048 2217 1 7 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.563 0.057 18048 2218 1 7 . 1 1 52 52 PHE C C 52 171.900 171.900 173.783 -1.883 18048 2219 1 7 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.568 -2.968 18048 2220 1 7 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.412 -4.512 18048 2221 1 7 . 1 1 52 52 PHE H H 52 7.230 7.230 8.604 -1.374 18048 2222 1 7 . 1 1 53 53 ARG N N 53 114.500 114.500 128.823 -14.323 18048 2223 1 7 . 1 1 53 53 ARG C C 53 172.000 172.000 174.842 -2.842 18048 2224 1 7 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.918 -2.018 18048 2225 1 7 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.401 -4.901 18048 2226 1 7 . 1 1 53 53 ARG H H 53 7.200 7.200 8.469 -1.269 18048 2227 1 7 . 1 1 54 54 MET N N 54 116.800 116.800 123.978 -7.178 18048 2228 1 7 . 1 1 54 54 MET HA H 54 4.430 4.430 3.854 0.576 18048 2229 1 7 . 1 1 54 54 MET C C 54 172.600 172.600 177.336 -4.736 18048 2230 1 7 . 1 1 54 54 MET CA C 54 52.800 52.800 58.494 -5.694 18048 2231 1 7 . 1 1 54 54 MET CB C 54 31.500 31.500 32.749 -1.249 18048 2232 1 7 . 1 1 54 54 MET H H 54 6.770 6.770 7.798 -1.028 18048 2233 1 7 . 1 1 55 55 THR N N 55 110.800 110.800 112.142 -1.342 18048 2234 1 7 . 1 1 55 55 THR HA H 55 4.280 4.280 3.815 0.465 18048 2235 1 7 . 1 1 55 55 THR C C 55 171.800 171.800 173.700 -1.900 18048 2236 1 7 . 1 1 55 55 THR CA C 55 58.400 58.400 64.164 -5.764 18048 2237 1 7 . 1 1 55 55 THR CB C 55 67.400 67.400 68.245 -0.845 18048 2238 1 7 . 1 1 55 55 THR H H 55 8.480 8.480 8.160 0.320 18048 2239 1 7 . 1 1 56 56 ASP N N 56 123.800 123.800 123.137 0.663 18048 2240 1 7 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.474 0.006 18048 2241 1 7 . 1 1 56 56 ASP C C 56 173.200 173.200 176.828 -3.628 18048 2242 1 7 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.777 -3.177 18048 2243 1 7 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.494 -1.394 18048 2244 1 7 . 1 1 56 56 ASP H H 56 7.450 7.450 8.080 -0.630 18048 2245 1 7 . 1 1 57 57 GLN N N 57 126.600 126.600 124.544 2.056 18048 2246 1 7 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.880 -0.080 18048 2247 1 7 . 1 1 57 57 GLN C C 57 175.400 175.400 177.239 -1.839 18048 2248 1 7 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.501 -2.901 18048 2249 1 7 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.515 -2.915 18048 2250 1 7 . 1 1 57 57 GLN H H 57 8.880 8.880 8.445 0.435 18048 2251 1 7 . 1 1 58 58 GLU N N 58 119.400 119.400 118.943 0.457 18048 2252 1 7 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.090 -0.110 18048 2253 1 7 . 1 1 58 58 GLU C C 58 175.900 175.900 178.005 -2.105 18048 2254 1 7 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.856 -1.956 18048 2255 1 7 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.686 -2.386 18048 2256 1 7 . 1 1 58 58 GLU H H 58 8.220 8.220 8.708 -0.488 18048 2257 1 7 . 1 1 59 59 ALA N N 59 123.300 123.300 122.228 1.072 18048 2258 1 7 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.217 -0.117 18048 2259 1 7 . 1 1 59 59 ALA C C 59 177.400 177.400 179.632 -2.232 18048 2260 1 7 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.467 -2.567 18048 2261 1 7 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.621 -2.721 18048 2262 1 7 . 1 1 59 59 ALA H H 59 7.710 7.710 7.548 0.162 18048 2263 1 7 . 1 1 60 60 ILE N N 60 117.300 117.300 120.089 -2.789 18048 2264 1 7 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.576 -0.076 18048 2265 1 7 . 1 1 60 60 ILE C C 60 175.100 175.100 177.914 -2.814 18048 2266 1 7 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.545 -1.745 18048 2267 1 7 . 1 1 60 60 ILE CB C 60 34.800 34.800 37.890 -3.090 18048 2268 1 7 . 1 1 60 60 ILE H H 60 8.130 8.130 8.386 -0.256 18048 2269 1 7 . 1 1 61 61 GLN N N 61 118.800 118.800 118.535 0.265 18048 2270 1 7 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.076 0.104 18048 2271 1 7 . 1 1 61 61 GLN C C 61 175.900 175.900 178.143 -2.243 18048 2272 1 7 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.694 -2.394 18048 2273 1 7 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.891 -2.891 18048 2274 1 7 . 1 1 61 61 GLN H H 61 8.000 8.000 8.620 -0.620 18048 2275 1 7 . 1 1 62 62 ASP N N 62 121.000 121.000 121.380 -0.380 18048 2276 1 7 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.567 -0.177 18048 2277 1 7 . 1 1 62 62 ASP C C 62 177.200 177.200 178.590 -1.390 18048 2278 1 7 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.163 -2.163 18048 2279 1 7 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.999 -3.099 18048 2280 1 7 . 1 1 62 62 ASP H H 62 8.020 8.020 7.755 0.265 18048 2281 1 7 . 1 1 63 63 LEU N N 63 120.700 120.700 121.673 -0.973 18048 2282 1 7 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.286 -0.086 18048 2283 1 7 . 1 1 63 63 LEU C C 63 175.600 175.600 178.731 -3.131 18048 2284 1 7 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.824 -2.424 18048 2285 1 7 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.185 -2.785 18048 2286 1 7 . 1 1 63 63 LEU H H 63 8.220 8.220 8.499 -0.279 18048 2287 1 7 . 1 1 64 64 TRP N N 64 122.400 122.400 120.109 2.291 18048 2288 1 7 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.103 -0.073 18048 2289 1 7 . 1 1 64 64 TRP C C 64 173.500 173.500 178.855 -5.355 18048 2290 1 7 . 1 1 64 64 TRP CA C 64 56.200 56.200 59.978 -3.778 18048 2291 1 7 . 1 1 64 64 TRP CB C 64 26.800 26.800 28.350 -1.550 18048 2292 1 7 . 1 1 64 64 TRP H H 64 8.890 8.890 8.507 0.383 18048 2293 1 7 . 1 1 65 65 GLN N N 65 116.700 116.700 117.317 -0.617 18048 2294 1 7 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.093 -0.803 18048 2295 1 7 . 1 1 65 65 GLN C C 65 176.200 176.200 178.869 -2.669 18048 2296 1 7 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.571 -2.671 18048 2297 1 7 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.864 -3.164 18048 2298 1 7 . 1 1 65 65 GLN H H 65 8.310 8.310 8.306 0.004 18048 2299 1 7 . 1 1 66 66 TRP N N 66 119.500 119.500 122.644 -3.144 18048 2300 1 7 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.261 -0.251 18048 2301 1 7 . 1 1 66 66 TRP C C 66 175.100 175.100 178.027 -2.927 18048 2302 1 7 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.312 -2.212 18048 2303 1 7 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.872 -5.272 18048 2304 1 7 . 1 1 66 66 TRP H H 66 7.750 7.750 8.495 -0.745 18048 2305 1 7 . 1 1 67 67 ARG N N 67 122.300 122.300 117.589 4.711 18048 2306 1 7 . 1 1 67 67 ARG HA H 67 4.050 4.050 3.956 0.094 18048 2307 1 7 . 1 1 67 67 ARG C C 67 177.800 177.800 178.858 -1.058 18048 2308 1 7 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.611 -2.111 18048 2309 1 7 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.142 -4.842 18048 2310 1 7 . 1 1 67 67 ARG H H 67 8.640 8.640 8.539 0.101 18048 2311 1 7 . 1 1 68 68 LYS N N 68 118.400 118.400 117.880 0.520 18048 2312 1 7 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.263 -0.873 18048 2313 1 7 . 1 1 68 68 LYS C C 68 173.800 173.800 177.562 -3.762 18048 2314 1 7 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.038 -2.538 18048 2315 1 7 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.154 -4.154 18048 2316 1 7 . 1 1 68 68 LYS H H 68 7.860 7.860 8.298 -0.438 18048 2317 1 7 . 1 1 69 69 SER N N 69 114.500 114.500 114.657 -0.157 18048 2318 1 7 . 1 1 69 69 SER HA H 69 4.200 4.200 4.368 -0.168 18048 2319 1 7 . 1 1 69 69 SER C C 69 170.300 170.300 174.151 -3.851 18048 2320 1 7 . 1 1 69 69 SER CA C 69 55.700 55.700 58.833 -3.132 18048 2321 1 7 . 1 1 69 69 SER CB C 69 61.500 61.500 63.365 -1.865 18048 2322 1 7 . 1 1 69 69 SER H H 69 7.060 7.060 7.707 -0.647 18048 2323 1 8 . 1 1 2 2 GLU N N 2 122.400 122.400 119.262 3.138 18048 2324 1 8 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.111 0.019 18048 2325 1 8 . 1 1 2 2 GLU C C 2 173.800 173.800 175.517 -1.717 18048 2326 1 8 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.123 -3.023 18048 2327 1 8 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.319 -2.018 18048 2328 1 8 . 1 1 2 2 GLU H H 2 8.490 8.490 8.577 -0.087 18048 2329 1 8 . 1 1 3 3 SER N N 3 116.300 116.300 113.882 2.418 18048 2330 1 8 . 1 1 3 3 SER HA H 3 4.240 4.240 4.556 -0.316 18048 2331 1 8 . 1 1 3 3 SER C C 3 171.500 171.500 175.056 -3.556 18048 2332 1 8 . 1 1 3 3 SER CA C 3 55.800 55.800 58.198 -2.398 18048 2333 1 8 . 1 1 3 3 SER CB C 3 60.900 60.900 64.026 -3.126 18048 2334 1 8 . 1 1 3 3 SER H H 3 8.210 8.210 7.666 0.544 18048 2335 1 8 . 1 1 4 4 PHE N N 4 121.700 121.700 120.431 1.269 18048 2336 1 8 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.279 0.201 18048 2337 1 8 . 1 1 4 4 PHE C C 4 172.800 172.800 175.255 -2.455 18048 2338 1 8 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.933 -3.933 18048 2339 1 8 . 1 1 4 4 PHE CB C 4 36.500 36.500 38.059 -1.558 18048 2340 1 8 . 1 1 4 4 PHE H H 4 8.040 8.040 8.738 -0.698 18048 2341 1 8 . 1 1 5 5 LYS N N 5 122.600 122.600 118.440 4.160 18048 2342 1 8 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.070 0.050 18048 2343 1 8 . 1 1 5 5 LYS C C 5 173.400 173.400 177.320 -3.920 18048 2344 1 8 . 1 1 5 5 LYS CA C 5 53.400 53.400 57.251 -3.850 18048 2345 1 8 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.026 -2.926 18048 2346 1 8 . 1 1 5 5 LYS H H 5 7.990 7.990 8.222 -0.232 18048 2347 1 8 . 1 1 6 6 LYS N N 6 122.800 122.800 120.904 1.896 18048 2348 1 8 . 1 1 6 6 LYS C C 6 173.700 173.700 175.699 -1.999 18048 2349 1 8 . 1 1 6 6 LYS CA C 6 53.700 53.700 55.858 -2.158 18048 2350 1 8 . 1 1 6 6 LYS H H 6 8.160 8.160 8.197 -0.037 18048 2351 1 8 . 1 1 7 7 GLN N N 7 120.800 120.800 120.279 0.521 18048 2352 1 8 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.483 0.047 18048 2353 1 8 . 1 1 7 7 GLN C C 7 173.600 173.600 174.910 -1.310 18048 2354 1 8 . 1 1 7 7 GLN CA C 7 53.700 53.700 54.971 -1.271 18048 2355 1 8 . 1 1 7 7 GLN CB C 7 27.300 27.300 30.041 -2.741 18048 2356 1 8 . 1 1 7 7 GLN H H 7 8.240 8.240 7.855 0.385 18048 2357 1 8 . 1 1 8 8 GLU N N 8 121.400 121.400 120.279 1.121 18048 2358 1 8 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.631 -0.431 18048 2359 1 8 . 1 1 8 8 GLU C C 8 173.100 173.100 175.487 -2.387 18048 2360 1 8 . 1 1 8 8 GLU CA C 8 52.900 52.900 55.627 -2.727 18048 2361 1 8 . 1 1 8 8 GLU CB C 8 27.600 27.600 31.054 -3.454 18048 2362 1 8 . 1 1 8 8 GLU H H 8 8.270 8.270 8.261 0.009 18048 2363 1 8 . 1 1 9 9 LYS N N 9 123.000 123.000 119.317 3.683 18048 2364 1 8 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.444 -0.204 18048 2365 1 8 . 1 1 9 9 LYS C C 9 173.700 173.700 175.859 -2.159 18048 2366 1 8 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.617 -3.117 18048 2367 1 8 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.104 -3.004 18048 2368 1 8 . 1 1 9 9 LYS H H 9 8.390 8.390 8.463 -0.073 18048 2369 1 8 . 1 1 10 10 THR N N 10 117.900 117.900 113.968 3.932 18048 2370 1 8 . 1 1 10 10 THR HA H 10 4.450 4.450 4.164 0.286 18048 2371 1 8 . 1 1 10 10 THR C C 10 170.000 170.000 172.763 -2.763 18048 2372 1 8 . 1 1 10 10 THR CA C 10 57.000 57.000 61.742 -4.742 18048 2373 1 8 . 1 1 10 10 THR CB C 10 66.800 66.800 67.737 -0.937 18048 2374 1 8 . 1 1 10 10 THR H H 10 8.140 8.140 8.083 0.057 18048 2375 1 8 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.321 -0.011 18048 2376 1 8 . 1 1 11 11 PRO C C 11 173.800 173.800 176.917 -3.117 18048 2377 1 8 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.988 -3.588 18048 2378 1 8 . 1 1 11 11 PRO CB C 11 29.300 29.300 31.913 -2.613 18048 2379 1 8 . 1 1 12 12 LYS N N 12 121.700 121.700 120.141 1.559 18048 2380 1 8 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.480 -0.270 18048 2381 1 8 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.034 -2.534 18048 2382 1 8 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.085 -2.885 18048 2383 1 8 . 1 1 12 12 LYS H H 12 8.380 8.380 7.615 0.765 18048 2384 1 8 . 1 1 13 13 THR N N 13 115.600 115.600 116.754 -1.154 18048 2385 1 8 . 1 1 13 13 THR HA H 13 4.360 4.360 4.652 -0.292 18048 2386 1 8 . 1 1 13 13 THR C C 13 169.800 169.800 173.851 -4.051 18048 2387 1 8 . 1 1 13 13 THR CA C 13 55.800 55.800 59.891 -4.091 18048 2388 1 8 . 1 1 13 13 THR CB C 13 67.800 67.800 68.365 -0.565 18048 2389 1 8 . 1 1 13 13 THR H H 13 7.940 7.940 8.153 -0.213 18048 2390 1 8 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.594 -0.204 18048 2391 1 8 . 1 1 14 14 PRO C C 14 174.000 174.000 176.117 -2.117 18048 2392 1 8 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.559 -2.259 18048 2393 1 8 . 1 1 14 14 PRO CB C 14 29.200 29.200 30.908 -1.708 18048 2394 1 8 . 1 1 15 15 LYS N N 15 121.700 121.700 123.135 -1.435 18048 2395 1 8 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.371 -0.161 18048 2396 1 8 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.908 -2.408 18048 2397 1 8 . 1 1 15 15 LYS CB C 15 30.300 30.300 32.874 -2.574 18048 2398 1 8 . 1 1 15 15 LYS H H 15 8.360 8.360 7.954 0.406 18048 2399 1 8 . 1 1 16 16 GLY N N 16 110.100 110.100 109.874 0.226 18048 2400 1 8 . 1 1 16 16 GLY C C 16 168.900 168.900 173.296 -4.396 18048 2401 1 8 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.516 -2.816 18048 2402 1 8 . 1 1 16 16 GLY H H 16 8.220 8.220 8.488 -0.268 18048 2403 1 8 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.526 -0.146 18048 2404 1 8 . 1 1 17 17 PRO C C 17 174.600 174.600 176.417 -1.817 18048 2405 1 8 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.685 -2.185 18048 2406 1 8 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.594 -3.194 18048 2407 1 8 . 1 1 18 18 SER N N 18 116.500 116.500 111.769 4.731 18048 2408 1 8 . 1 1 18 18 SER HA H 18 4.420 4.420 4.634 -0.214 18048 2409 1 8 . 1 1 18 18 SER C C 18 171.300 171.300 174.313 -3.013 18048 2410 1 8 . 1 1 18 18 SER CA C 18 55.900 55.900 59.188 -3.288 18048 2411 1 8 . 1 1 18 18 SER CB C 18 61.400 61.400 63.935 -2.535 18048 2412 1 8 . 1 1 18 18 SER H H 18 8.520 8.520 8.316 0.204 18048 2413 1 8 . 1 1 19 19 SER N N 19 117.700 117.700 115.606 2.094 18048 2414 1 8 . 1 1 19 19 SER HA H 19 4.370 4.370 4.604 -0.234 18048 2415 1 8 . 1 1 19 19 SER C C 19 172.600 172.600 175.317 -2.717 18048 2416 1 8 . 1 1 19 19 SER CA C 19 55.500 55.500 56.883 -1.383 18048 2417 1 8 . 1 1 19 19 SER CB C 19 61.400 61.400 65.377 -3.977 18048 2418 1 8 . 1 1 19 19 SER H H 19 8.490 8.490 7.620 0.870 18048 2419 1 8 . 1 1 20 20 VAL N N 20 120.500 120.500 123.671 -3.171 18048 2420 1 8 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.551 -0.061 18048 2421 1 8 . 1 1 20 20 VAL C C 20 174.300 174.300 177.598 -3.298 18048 2422 1 8 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.593 -2.093 18048 2423 1 8 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.349 -2.450 18048 2424 1 8 . 1 1 20 20 VAL H H 20 8.310 8.310 8.551 -0.241 18048 2425 1 8 . 1 1 21 21 GLU N N 21 118.700 118.700 118.615 0.085 18048 2426 1 8 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.867 -0.237 18048 2427 1 8 . 1 1 21 21 GLU C C 21 176.300 176.300 178.923 -2.623 18048 2428 1 8 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.174 -2.274 18048 2429 1 8 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.782 -2.882 18048 2430 1 8 . 1 1 21 21 GLU H H 21 8.110 8.110 8.591 -0.481 18048 2431 1 8 . 1 1 22 22 ASP N N 22 120.400 120.400 119.907 0.493 18048 2432 1 8 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.372 -0.112 18048 2433 1 8 . 1 1 22 22 ASP C C 22 175.600 175.600 177.608 -2.008 18048 2434 1 8 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.850 -3.650 18048 2435 1 8 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.891 -2.991 18048 2436 1 8 . 1 1 22 22 ASP H H 22 7.810 7.810 8.156 -0.346 18048 2437 1 8 . 1 1 23 23 ILE N N 23 120.900 120.900 119.618 1.282 18048 2438 1 8 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.856 -0.756 18048 2439 1 8 . 1 1 23 23 ILE C C 23 175.100 175.100 177.337 -2.237 18048 2440 1 8 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.152 -1.852 18048 2441 1 8 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.995 -3.695 18048 2442 1 8 . 1 1 23 23 ILE H H 23 7.670 7.670 7.909 -0.239 18048 2443 1 8 . 1 1 24 24 LYS N N 24 120.000 120.000 119.915 0.085 18048 2444 1 8 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.883 -0.793 18048 2445 1 8 . 1 1 24 24 LYS C C 24 175.400 175.400 178.662 -3.262 18048 2446 1 8 . 1 1 24 24 LYS CA C 24 57.400 57.400 60.215 -2.815 18048 2447 1 8 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.908 -2.308 18048 2448 1 8 . 1 1 24 24 LYS H H 24 8.060 8.060 8.206 -0.146 18048 2449 1 8 . 1 1 25 25 ALA N N 25 119.000 119.000 120.981 -1.981 18048 2450 1 8 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.160 -0.130 18048 2451 1 8 . 1 1 25 25 ALA C C 25 178.700 178.700 180.025 -1.325 18048 2452 1 8 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.070 -2.770 18048 2453 1 8 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.278 -3.578 18048 2454 1 8 . 1 1 25 25 ALA H H 25 7.410 7.410 7.892 -0.482 18048 2455 1 8 . 1 1 26 26 LYS N N 26 120.100 120.100 118.785 1.315 18048 2456 1 8 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.139 -0.089 18048 2457 1 8 . 1 1 26 26 LYS C C 26 177.600 177.600 179.158 -1.558 18048 2458 1 8 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.217 -2.617 18048 2459 1 8 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.424 -2.824 18048 2460 1 8 . 1 1 26 26 LYS H H 26 7.760 7.760 8.052 -0.292 18048 2461 1 8 . 1 1 27 27 MET N N 27 120.900 120.900 119.411 1.489 18048 2462 1 8 . 1 1 27 27 MET HA H 27 4.220 4.220 4.204 0.016 18048 2463 1 8 . 1 1 27 27 MET C C 27 175.900 175.900 178.503 -2.603 18048 2464 1 8 . 1 1 27 27 MET CA C 27 58.000 58.000 57.761 0.239 18048 2465 1 8 . 1 1 27 27 MET CB C 27 30.600 30.600 31.667 -1.067 18048 2466 1 8 . 1 1 27 27 MET H H 27 8.620 8.620 8.504 0.116 18048 2467 1 8 . 1 1 28 28 GLN N N 28 119.700 119.700 118.387 1.313 18048 2468 1 8 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.094 -0.054 18048 2469 1 8 . 1 1 28 28 GLN C C 28 175.500 175.500 178.249 -2.749 18048 2470 1 8 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.868 -2.168 18048 2471 1 8 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.909 -2.208 18048 2472 1 8 . 1 1 28 28 GLN H H 28 8.970 8.970 8.372 0.598 18048 2473 1 8 . 1 1 29 29 ALA N N 29 120.900 120.900 122.201 -1.301 18048 2474 1 8 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.090 0.070 18048 2475 1 8 . 1 1 29 29 ALA C C 29 177.500 177.500 180.021 -2.521 18048 2476 1 8 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.135 -3.035 18048 2477 1 8 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.149 -3.349 18048 2478 1 8 . 1 1 29 29 ALA H H 29 7.940 7.940 7.986 -0.046 18048 2479 1 8 . 1 1 30 30 SER N N 30 112.900 112.900 114.285 -1.385 18048 2480 1 8 . 1 1 30 30 SER HA H 30 4.180 4.180 4.246 -0.066 18048 2481 1 8 . 1 1 30 30 SER CA C 30 58.900 58.900 61.984 -3.084 18048 2482 1 8 . 1 1 30 30 SER CB C 30 60.000 60.000 63.192 -3.192 18048 2483 1 8 . 1 1 30 30 SER H H 30 7.780 7.780 7.889 -0.109 18048 2484 1 8 . 1 1 31 31 ILE N N 31 122.000 122.000 121.865 0.135 18048 2485 1 8 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.840 0.010 18048 2486 1 8 . 1 1 31 31 ILE C C 31 173.900 173.900 178.222 -4.322 18048 2487 1 8 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.222 -3.721 18048 2488 1 8 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.057 -3.157 18048 2489 1 8 . 1 1 31 31 ILE H H 31 7.940 7.940 8.092 -0.152 18048 2490 1 8 . 1 1 32 32 GLU N N 32 121.800 121.800 119.817 1.983 18048 2491 1 8 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.141 -0.111 18048 2492 1 8 . 1 1 32 32 GLU C C 32 175.200 175.200 177.889 -2.689 18048 2493 1 8 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.700 -2.400 18048 2494 1 8 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.154 -2.654 18048 2495 1 8 . 1 1 32 32 GLU H H 32 8.140 8.140 8.234 -0.094 18048 2496 1 8 . 1 1 33 33 LYS N N 33 116.200 116.200 117.617 -1.417 18048 2497 1 8 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.324 0.056 18048 2498 1 8 . 1 1 33 33 LYS C C 33 173.800 173.800 176.865 -3.065 18048 2499 1 8 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.244 -3.344 18048 2500 1 8 . 1 1 33 33 LYS CB C 33 29.500 29.500 32.750 -3.250 18048 2501 1 8 . 1 1 33 33 LYS H H 33 7.350 7.350 7.776 -0.426 18048 2502 1 8 . 1 1 34 34 GLY N N 34 107.400 107.400 105.384 2.016 18048 2503 1 8 . 1 1 34 34 GLY C C 34 172.400 172.400 173.890 -1.490 18048 2504 1 8 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.761 -2.161 18048 2505 1 8 . 1 1 34 34 GLY H H 34 7.830 7.830 7.564 0.266 18048 2506 1 8 . 1 1 35 35 GLY N N 35 109.200 109.200 108.133 1.067 18048 2507 1 8 . 1 1 35 35 GLY C C 35 169.500 169.500 172.402 -2.902 18048 2508 1 8 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.198 -3.598 18048 2509 1 8 . 1 1 35 35 GLY H H 35 8.330 8.330 7.888 0.442 18048 2510 1 8 . 1 1 36 36 SER N N 36 112.700 112.700 113.764 -1.064 18048 2511 1 8 . 1 1 36 36 SER HA H 36 4.610 4.610 4.509 0.101 18048 2512 1 8 . 1 1 36 36 SER C C 36 171.000 171.000 173.202 -2.202 18048 2513 1 8 . 1 1 36 36 SER CA C 36 54.000 54.000 58.311 -4.311 18048 2514 1 8 . 1 1 36 36 SER CB C 36 62.300 62.300 64.453 -2.153 18048 2515 1 8 . 1 1 36 36 SER H H 36 8.150 8.150 8.223 -0.073 18048 2516 1 8 . 1 1 37 37 LEU N N 37 122.700 122.700 123.423 -0.723 18048 2517 1 8 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.377 -0.217 18048 2518 1 8 . 1 1 37 37 LEU C C 37 173.600 173.600 175.584 -1.984 18048 2519 1 8 . 1 1 37 37 LEU CA C 37 53.400 53.400 51.916 1.484 18048 2520 1 8 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.878 -0.378 18048 2521 1 8 . 1 1 37 37 LEU H H 37 8.380 8.380 7.505 0.875 18048 2522 1 8 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.720 -0.450 18048 2523 1 8 . 1 1 38 38 PRO C C 38 174.400 174.400 176.189 -1.789 18048 2524 1 8 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.123 -0.723 18048 2525 1 8 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.605 -2.805 18048 2526 1 8 . 1 1 39 39 LYS N N 39 122.300 122.300 118.908 3.392 18048 2527 1 8 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.346 0.034 18048 2528 1 8 . 1 1 39 39 LYS C C 39 172.300 172.300 176.947 -4.647 18048 2529 1 8 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.071 -3.371 18048 2530 1 8 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.047 -1.746 18048 2531 1 8 . 1 1 39 39 LYS H H 39 8.920 8.920 8.459 0.461 18048 2532 1 8 . 1 1 40 40 VAL N N 40 118.500 118.500 119.274 -0.774 18048 2533 1 8 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.146 0.134 18048 2534 1 8 . 1 1 40 40 VAL C C 40 173.600 173.600 176.940 -3.340 18048 2535 1 8 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.575 -3.475 18048 2536 1 8 . 1 1 40 40 VAL CB C 40 31.400 31.400 32.848 -1.448 18048 2537 1 8 . 1 1 40 40 VAL H H 40 7.000 7.000 7.688 -0.688 18048 2538 1 8 . 1 1 41 41 GLU N N 41 131.800 131.800 127.552 4.248 18048 2539 1 8 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.157 -0.207 18048 2540 1 8 . 1 1 41 41 GLU C C 41 174.700 174.700 178.361 -3.661 18048 2541 1 8 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.720 -2.020 18048 2542 1 8 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.741 -1.641 18048 2543 1 8 . 1 1 41 41 GLU H H 41 8.820 8.820 8.968 -0.148 18048 2544 1 8 . 1 1 42 42 ALA N N 42 117.700 117.700 121.900 -4.200 18048 2545 1 8 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.256 -0.466 18048 2546 1 8 . 1 1 42 42 ALA C C 42 178.000 178.000 179.693 -1.693 18048 2547 1 8 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.980 -2.080 18048 2548 1 8 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.053 -2.653 18048 2549 1 8 . 1 1 42 42 ALA H H 42 8.630 8.630 8.557 0.073 18048 2550 1 8 . 1 1 43 43 LYS N N 43 113.500 113.500 118.994 -5.494 18048 2551 1 8 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.190 -0.100 18048 2552 1 8 . 1 1 43 43 LYS C C 43 176.600 176.600 178.865 -2.265 18048 2553 1 8 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.713 -3.513 18048 2554 1 8 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.040 -2.040 18048 2555 1 8 . 1 1 43 43 LYS H H 43 6.530 6.530 7.751 -1.221 18048 2556 1 8 . 1 1 44 44 PHE N N 44 123.600 123.600 122.355 1.245 18048 2557 1 8 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.211 -0.271 18048 2558 1 8 . 1 1 44 44 PHE C C 44 173.300 173.300 176.998 -3.698 18048 2559 1 8 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.969 -1.669 18048 2560 1 8 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.556 -2.856 18048 2561 1 8 . 1 1 44 44 PHE H H 44 8.610 8.610 8.464 0.146 18048 2562 1 8 . 1 1 45 45 ILE N N 45 119.600 119.600 119.433 0.167 18048 2563 1 8 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.617 -0.247 18048 2564 1 8 . 1 1 45 45 ILE C C 45 174.700 174.700 177.685 -2.985 18048 2565 1 8 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.940 -2.440 18048 2566 1 8 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.705 -2.705 18048 2567 1 8 . 1 1 45 45 ILE H H 45 8.690 8.690 8.997 -0.307 18048 2568 1 8 . 1 1 46 46 ASN N N 46 115.900 115.900 118.432 -2.532 18048 2569 1 8 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.367 -0.117 18048 2570 1 8 . 1 1 46 46 ASN C C 46 173.800 173.800 177.295 -3.495 18048 2571 1 8 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.452 -2.651 18048 2572 1 8 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.414 -2.814 18048 2573 1 8 . 1 1 46 46 ASN H H 46 7.320 7.320 8.424 -1.104 18048 2574 1 8 . 1 1 47 47 TYR N N 47 120.900 120.900 120.650 0.250 18048 2575 1 8 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.184 0.106 18048 2576 1 8 . 1 1 47 47 TYR C C 47 174.400 174.400 177.702 -3.302 18048 2577 1 8 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.816 -3.616 18048 2578 1 8 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.659 -2.859 18048 2579 1 8 . 1 1 47 47 TYR H H 47 7.840 7.840 7.969 -0.129 18048 2580 1 8 . 1 1 48 48 VAL N N 48 117.800 117.800 120.439 -2.639 18048 2581 1 8 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.417 0.053 18048 2582 1 8 . 1 1 48 48 VAL C C 48 176.300 176.300 177.739 -1.439 18048 2583 1 8 . 1 1 48 48 VAL CA C 48 63.800 63.800 67.549 -3.749 18048 2584 1 8 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.433 -3.033 18048 2585 1 8 . 1 1 48 48 VAL H H 48 8.260 8.260 8.407 -0.147 18048 2586 1 8 . 1 1 49 49 LYS N N 49 119.700 119.700 116.998 2.702 18048 2587 1 8 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.190 -0.240 18048 2588 1 8 . 1 1 49 49 LYS C C 49 176.400 176.400 178.045 -1.645 18048 2589 1 8 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.151 -1.551 18048 2590 1 8 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.087 -2.188 18048 2591 1 8 . 1 1 49 49 LYS H H 49 8.070 8.070 8.218 -0.148 18048 2592 1 8 . 1 1 50 50 ASN N N 50 115.600 115.600 116.972 -1.372 18048 2593 1 8 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.453 -0.103 18048 2594 1 8 . 1 1 50 50 ASN C C 50 174.100 174.100 177.290 -3.190 18048 2595 1 8 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.516 -2.516 18048 2596 1 8 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.416 -2.116 18048 2597 1 8 . 1 1 50 50 ASN H H 50 8.080 8.080 7.712 0.368 18048 2598 1 8 . 1 1 51 51 CYS N N 51 115.800 115.800 118.549 -2.749 18048 2599 1 8 . 1 1 51 51 CYS C C 51 172.800 172.800 174.904 -2.104 18048 2600 1 8 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.031 -3.231 18048 2601 1 8 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.300 -4.100 18048 2602 1 8 . 1 1 51 51 CYS H H 51 8.480 8.480 7.711 0.769 18048 2603 1 8 . 1 1 52 52 PHE N N 52 112.700 112.700 118.811 -6.111 18048 2604 1 8 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.690 -0.070 18048 2605 1 8 . 1 1 52 52 PHE C C 52 171.900 171.900 174.137 -2.237 18048 2606 1 8 . 1 1 52 52 PHE CA C 52 54.600 54.600 55.721 -1.121 18048 2607 1 8 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.225 -4.325 18048 2608 1 8 . 1 1 52 52 PHE H H 52 7.230 7.230 8.354 -1.124 18048 2609 1 8 . 1 1 53 53 ARG N N 53 114.500 114.500 128.256 -13.756 18048 2610 1 8 . 1 1 53 53 ARG C C 53 172.000 172.000 175.228 -3.228 18048 2611 1 8 . 1 1 53 53 ARG CA C 53 53.900 53.900 57.371 -3.471 18048 2612 1 8 . 1 1 53 53 ARG CB C 53 23.500 23.500 30.820 -7.319 18048 2613 1 8 . 1 1 53 53 ARG H H 53 7.200 7.200 8.859 -1.659 18048 2614 1 8 . 1 1 54 54 MET N N 54 116.800 116.800 123.760 -6.960 18048 2615 1 8 . 1 1 54 54 MET HA H 54 4.430 4.430 4.384 0.046 18048 2616 1 8 . 1 1 54 54 MET C C 54 172.600 172.600 177.442 -4.842 18048 2617 1 8 . 1 1 54 54 MET CA C 54 52.800 52.800 55.821 -3.021 18048 2618 1 8 . 1 1 54 54 MET CB C 54 31.500 31.500 32.517 -1.017 18048 2619 1 8 . 1 1 54 54 MET H H 54 6.770 6.770 8.348 -1.578 18048 2620 1 8 . 1 1 55 55 THR N N 55 110.800 110.800 115.232 -4.432 18048 2621 1 8 . 1 1 55 55 THR HA H 55 4.280 4.280 3.968 0.312 18048 2622 1 8 . 1 1 55 55 THR C C 55 171.800 171.800 174.123 -2.323 18048 2623 1 8 . 1 1 55 55 THR CA C 55 58.400 58.400 64.382 -5.982 18048 2624 1 8 . 1 1 55 55 THR CB C 55 67.400 67.400 68.557 -1.157 18048 2625 1 8 . 1 1 55 55 THR H H 55 8.480 8.480 8.254 0.226 18048 2626 1 8 . 1 1 56 56 ASP N N 56 123.800 123.800 122.598 1.202 18048 2627 1 8 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.613 -0.133 18048 2628 1 8 . 1 1 56 56 ASP C C 56 173.200 173.200 176.308 -3.108 18048 2629 1 8 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.812 -3.212 18048 2630 1 8 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.159 -2.059 18048 2631 1 8 . 1 1 56 56 ASP H H 56 7.450 7.450 8.060 -0.610 18048 2632 1 8 . 1 1 57 57 GLN N N 57 126.600 126.600 126.246 0.354 18048 2633 1 8 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.946 -0.146 18048 2634 1 8 . 1 1 57 57 GLN C C 57 175.400 175.400 177.274 -1.874 18048 2635 1 8 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.245 -2.644 18048 2636 1 8 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.567 -2.967 18048 2637 1 8 . 1 1 57 57 GLN H H 57 8.880 8.880 8.779 0.101 18048 2638 1 8 . 1 1 58 58 GLU N N 58 119.400 119.400 119.799 -0.399 18048 2639 1 8 . 1 1 58 58 GLU HA H 58 3.980 3.980 3.986 -0.006 18048 2640 1 8 . 1 1 58 58 GLU C C 58 175.900 175.900 178.004 -2.104 18048 2641 1 8 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.488 -2.588 18048 2642 1 8 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.858 -2.558 18048 2643 1 8 . 1 1 58 58 GLU H H 58 8.220 8.220 8.675 -0.455 18048 2644 1 8 . 1 1 59 59 ALA N N 59 123.300 123.300 120.949 2.351 18048 2645 1 8 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.193 -0.093 18048 2646 1 8 . 1 1 59 59 ALA C C 59 177.400 177.400 179.933 -2.533 18048 2647 1 8 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.590 -2.690 18048 2648 1 8 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.416 -2.516 18048 2649 1 8 . 1 1 59 59 ALA H H 59 7.710 7.710 7.441 0.269 18048 2650 1 8 . 1 1 60 60 ILE N N 60 117.300 117.300 119.779 -2.479 18048 2651 1 8 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.683 -0.183 18048 2652 1 8 . 1 1 60 60 ILE C C 60 175.100 175.100 178.161 -3.061 18048 2653 1 8 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.365 -1.565 18048 2654 1 8 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.103 -3.303 18048 2655 1 8 . 1 1 60 60 ILE H H 60 8.130 8.130 8.266 -0.136 18048 2656 1 8 . 1 1 61 61 GLN N N 61 118.800 118.800 118.853 -0.053 18048 2657 1 8 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.182 -0.002 18048 2658 1 8 . 1 1 61 61 GLN C C 61 175.900 175.900 178.018 -2.118 18048 2659 1 8 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.447 -2.147 18048 2660 1 8 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.787 -2.787 18048 2661 1 8 . 1 1 61 61 GLN H H 61 8.000 8.000 8.545 -0.545 18048 2662 1 8 . 1 1 62 62 ASP N N 62 121.000 121.000 121.788 -0.788 18048 2663 1 8 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.534 -0.144 18048 2664 1 8 . 1 1 62 62 ASP C C 62 177.200 177.200 178.456 -1.256 18048 2665 1 8 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.530 -2.530 18048 2666 1 8 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.989 -3.089 18048 2667 1 8 . 1 1 62 62 ASP H H 62 8.020 8.020 7.953 0.067 18048 2668 1 8 . 1 1 63 63 LEU N N 63 120.700 120.700 121.583 -0.883 18048 2669 1 8 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.092 0.108 18048 2670 1 8 . 1 1 63 63 LEU C C 63 175.600 175.600 178.341 -2.741 18048 2671 1 8 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.047 -2.647 18048 2672 1 8 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.035 -2.635 18048 2673 1 8 . 1 1 63 63 LEU H H 63 8.220 8.220 8.226 -0.006 18048 2674 1 8 . 1 1 64 64 TRP N N 64 122.400 122.400 120.282 2.118 18048 2675 1 8 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.228 -0.198 18048 2676 1 8 . 1 1 64 64 TRP C C 64 173.500 173.500 178.233 -4.733 18048 2677 1 8 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.359 -5.160 18048 2678 1 8 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.585 -2.785 18048 2679 1 8 . 1 1 64 64 TRP H H 64 8.890 8.890 8.385 0.505 18048 2680 1 8 . 1 1 65 65 GLN N N 65 116.700 116.700 117.313 -0.613 18048 2681 1 8 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.235 -0.945 18048 2682 1 8 . 1 1 65 65 GLN C C 65 176.200 176.200 178.686 -2.486 18048 2683 1 8 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.056 -2.156 18048 2684 1 8 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.902 -3.203 18048 2685 1 8 . 1 1 65 65 GLN H H 65 8.310 8.310 8.566 -0.256 18048 2686 1 8 . 1 1 66 66 TRP N N 66 119.500 119.500 121.632 -2.132 18048 2687 1 8 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.411 -0.401 18048 2688 1 8 . 1 1 66 66 TRP C C 66 175.100 175.100 178.133 -3.033 18048 2689 1 8 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.620 -2.521 18048 2690 1 8 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.723 -5.122 18048 2691 1 8 . 1 1 66 66 TRP H H 66 7.750 7.750 8.818 -1.068 18048 2692 1 8 . 1 1 67 67 ARG N N 67 122.300 122.300 119.359 2.941 18048 2693 1 8 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.129 -0.079 18048 2694 1 8 . 1 1 67 67 ARG C C 67 177.800 177.800 178.114 -0.314 18048 2695 1 8 . 1 1 67 67 ARG CA C 67 56.500 56.500 57.719 -1.219 18048 2696 1 8 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.162 -4.862 18048 2697 1 8 . 1 1 67 67 ARG H H 67 8.640 8.640 8.078 0.562 18048 2698 1 8 . 1 1 68 68 LYS N N 68 118.400 118.400 118.054 0.346 18048 2699 1 8 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.028 -0.638 18048 2700 1 8 . 1 1 68 68 LYS C C 68 173.800 173.800 178.556 -4.756 18048 2701 1 8 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.873 -2.373 18048 2702 1 8 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.112 -4.112 18048 2703 1 8 . 1 1 68 68 LYS H H 68 7.860 7.860 8.194 -0.334 18048 2704 1 8 . 1 1 69 69 SER N N 69 114.500 114.500 115.755 -1.255 18048 2705 1 8 . 1 1 69 69 SER HA H 69 4.200 4.200 4.394 -0.194 18048 2706 1 8 . 1 1 69 69 SER C C 69 170.300 170.300 173.741 -3.441 18048 2707 1 8 . 1 1 69 69 SER CA C 69 55.700 55.700 58.576 -2.876 18048 2708 1 8 . 1 1 69 69 SER CB C 69 61.500 61.500 62.090 -0.590 18048 2709 1 8 . 1 1 69 69 SER H H 69 7.060 7.060 7.725 -0.665 18048 2710 1 9 . 1 1 2 2 GLU N N 2 122.400 122.400 123.396 -0.996 18048 2711 1 9 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.416 -0.286 18048 2712 1 9 . 1 1 2 2 GLU C C 2 173.800 173.800 176.001 -2.201 18048 2713 1 9 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.279 -2.179 18048 2714 1 9 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.902 -2.602 18048 2715 1 9 . 1 1 2 2 GLU H H 2 8.490 8.490 8.584 -0.094 18048 2716 1 9 . 1 1 3 3 SER N N 3 116.300 116.300 114.347 1.953 18048 2717 1 9 . 1 1 3 3 SER HA H 3 4.240 4.240 4.280 -0.040 18048 2718 1 9 . 1 1 3 3 SER C C 3 171.500 171.500 173.230 -1.730 18048 2719 1 9 . 1 1 3 3 SER CA C 3 55.800 55.800 58.642 -2.842 18048 2720 1 9 . 1 1 3 3 SER CB C 3 60.900 60.900 62.423 -1.523 18048 2721 1 9 . 1 1 3 3 SER H H 3 8.210 8.210 8.350 -0.140 18048 2722 1 9 . 1 1 4 4 PHE N N 4 121.700 121.700 121.838 -0.138 18048 2723 1 9 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.530 -0.050 18048 2724 1 9 . 1 1 4 4 PHE C C 4 172.800 172.800 175.713 -2.913 18048 2725 1 9 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.019 -3.019 18048 2726 1 9 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.740 -3.240 18048 2727 1 9 . 1 1 4 4 PHE H H 4 8.040 8.040 7.750 0.290 18048 2728 1 9 . 1 1 5 5 LYS N N 5 122.600 122.600 124.248 -1.648 18048 2729 1 9 . 1 1 5 5 LYS HA H 5 4.120 4.120 3.664 0.456 18048 2730 1 9 . 1 1 5 5 LYS C C 5 173.400 173.400 175.268 -1.868 18048 2731 1 9 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.557 -3.157 18048 2732 1 9 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.441 -2.341 18048 2733 1 9 . 1 1 5 5 LYS H H 5 7.990 7.990 7.861 0.129 18048 2734 1 9 . 1 1 6 6 LYS N N 6 122.800 122.800 117.057 5.743 18048 2735 1 9 . 1 1 6 6 LYS C C 6 173.700 173.700 176.140 -2.440 18048 2736 1 9 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.608 -3.908 18048 2737 1 9 . 1 1 6 6 LYS H H 6 8.160 8.160 8.356 -0.196 18048 2738 1 9 . 1 1 7 7 GLN N N 7 120.800 120.800 117.742 3.058 18048 2739 1 9 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.381 0.149 18048 2740 1 9 . 1 1 7 7 GLN C C 7 173.600 173.600 175.209 -1.609 18048 2741 1 9 . 1 1 7 7 GLN CA C 7 53.700 53.700 55.649 -1.949 18048 2742 1 9 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.639 -2.339 18048 2743 1 9 . 1 1 7 7 GLN H H 7 8.240 8.240 8.089 0.151 18048 2744 1 9 . 1 1 8 8 GLU N N 8 121.400 121.400 118.368 3.032 18048 2745 1 9 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.038 0.162 18048 2746 1 9 . 1 1 8 8 GLU C C 8 173.100 173.100 175.582 -2.482 18048 2747 1 9 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.949 -4.049 18048 2748 1 9 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.513 -1.913 18048 2749 1 9 . 1 1 8 8 GLU H H 8 8.270 8.270 8.063 0.207 18048 2750 1 9 . 1 1 9 9 LYS N N 9 123.000 123.000 121.451 1.549 18048 2751 1 9 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.418 -0.178 18048 2752 1 9 . 1 1 9 9 LYS C C 9 173.700 173.700 176.408 -2.708 18048 2753 1 9 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.803 -3.304 18048 2754 1 9 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.178 -3.078 18048 2755 1 9 . 1 1 9 9 LYS H H 9 8.390 8.390 8.657 -0.267 18048 2756 1 9 . 1 1 10 10 THR N N 10 117.900 117.900 113.034 4.866 18048 2757 1 9 . 1 1 10 10 THR HA H 10 4.450 4.450 4.604 -0.154 18048 2758 1 9 . 1 1 10 10 THR C C 10 170.000 170.000 172.176 -2.176 18048 2759 1 9 . 1 1 10 10 THR CA C 10 57.000 57.000 59.694 -2.695 18048 2760 1 9 . 1 1 10 10 THR CB C 10 66.800 66.800 70.044 -3.244 18048 2761 1 9 . 1 1 10 10 THR H H 10 8.140 8.140 7.609 0.531 18048 2762 1 9 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.748 -0.438 18048 2763 1 9 . 1 1 11 11 PRO C C 11 173.800 173.800 176.575 -2.775 18048 2764 1 9 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.702 -2.302 18048 2765 1 9 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.895 -3.595 18048 2766 1 9 . 1 1 12 12 LYS N N 12 121.700 121.700 120.531 1.169 18048 2767 1 9 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.573 -0.363 18048 2768 1 9 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.292 -2.792 18048 2769 1 9 . 1 1 12 12 LYS CB C 12 30.200 30.200 32.909 -2.709 18048 2770 1 9 . 1 1 12 12 LYS H H 12 8.380 8.380 8.448 -0.068 18048 2771 1 9 . 1 1 13 13 THR N N 13 115.600 115.600 114.760 0.840 18048 2772 1 9 . 1 1 13 13 THR HA H 13 4.360 4.360 4.709 -0.349 18048 2773 1 9 . 1 1 13 13 THR C C 13 169.800 169.800 172.640 -2.840 18048 2774 1 9 . 1 1 13 13 THR CA C 13 55.800 55.800 58.930 -3.130 18048 2775 1 9 . 1 1 13 13 THR CB C 13 67.800 67.800 70.129 -2.329 18048 2776 1 9 . 1 1 13 13 THR H H 13 7.940 7.940 7.596 0.344 18048 2777 1 9 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.503 -0.113 18048 2778 1 9 . 1 1 14 14 PRO C C 14 174.000 174.000 176.508 -2.508 18048 2779 1 9 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.143 -2.843 18048 2780 1 9 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.114 -2.914 18048 2781 1 9 . 1 1 15 15 LYS N N 15 121.700 121.700 118.352 3.348 18048 2782 1 9 . 1 1 15 15 LYS HA H 15 4.210 4.210 3.946 0.264 18048 2783 1 9 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.769 -3.269 18048 2784 1 9 . 1 1 15 15 LYS CB C 15 30.300 30.300 29.761 0.539 18048 2785 1 9 . 1 1 15 15 LYS H H 15 8.360 8.360 8.158 0.202 18048 2786 1 9 . 1 1 16 16 GLY N N 16 110.100 110.100 107.259 2.841 18048 2787 1 9 . 1 1 16 16 GLY C C 16 168.900 168.900 172.869 -3.969 18048 2788 1 9 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.132 -2.432 18048 2789 1 9 . 1 1 16 16 GLY H H 16 8.220 8.220 8.416 -0.196 18048 2790 1 9 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.399 -0.019 18048 2791 1 9 . 1 1 17 17 PRO C C 17 174.600 174.600 176.998 -2.398 18048 2792 1 9 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.901 -2.401 18048 2793 1 9 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.301 -2.901 18048 2794 1 9 . 1 1 18 18 SER N N 18 116.500 116.500 115.654 0.846 18048 2795 1 9 . 1 1 18 18 SER HA H 18 4.420 4.420 4.545 -0.125 18048 2796 1 9 . 1 1 18 18 SER C C 18 171.300 171.300 174.350 -3.050 18048 2797 1 9 . 1 1 18 18 SER CA C 18 55.900 55.900 59.441 -3.541 18048 2798 1 9 . 1 1 18 18 SER CB C 18 61.400 61.400 63.486 -2.086 18048 2799 1 9 . 1 1 18 18 SER H H 18 8.520 8.520 8.673 -0.153 18048 2800 1 9 . 1 1 19 19 SER N N 19 117.700 117.700 116.106 1.594 18048 2801 1 9 . 1 1 19 19 SER HA H 19 4.370 4.370 4.703 -0.333 18048 2802 1 9 . 1 1 19 19 SER C C 19 172.600 172.600 175.360 -2.760 18048 2803 1 9 . 1 1 19 19 SER CA C 19 55.500 55.500 56.273 -0.773 18048 2804 1 9 . 1 1 19 19 SER CB C 19 61.400 61.400 64.098 -2.698 18048 2805 1 9 . 1 1 19 19 SER H H 19 8.490 8.490 7.234 1.256 18048 2806 1 9 . 1 1 20 20 VAL N N 20 120.500 120.500 122.964 -2.464 18048 2807 1 9 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.726 -0.236 18048 2808 1 9 . 1 1 20 20 VAL C C 20 174.300 174.300 176.991 -2.691 18048 2809 1 9 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.313 -1.813 18048 2810 1 9 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.595 -2.695 18048 2811 1 9 . 1 1 20 20 VAL H H 20 8.310 8.310 8.663 -0.353 18048 2812 1 9 . 1 1 21 21 GLU N N 21 118.700 118.700 119.536 -0.836 18048 2813 1 9 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.799 -0.169 18048 2814 1 9 . 1 1 21 21 GLU C C 21 176.300 176.300 178.605 -2.305 18048 2815 1 9 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.577 -2.677 18048 2816 1 9 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.965 -3.065 18048 2817 1 9 . 1 1 21 21 GLU H H 21 8.110 8.110 8.647 -0.537 18048 2818 1 9 . 1 1 22 22 ASP N N 22 120.400 120.400 119.622 0.778 18048 2819 1 9 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.309 -0.049 18048 2820 1 9 . 1 1 22 22 ASP C C 22 175.600 175.600 177.778 -2.178 18048 2821 1 9 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.206 -3.006 18048 2822 1 9 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.627 -2.727 18048 2823 1 9 . 1 1 22 22 ASP H H 22 7.810 7.810 7.786 0.024 18048 2824 1 9 . 1 1 23 23 ILE N N 23 120.900 120.900 120.126 0.774 18048 2825 1 9 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.677 -0.577 18048 2826 1 9 . 1 1 23 23 ILE C C 23 175.100 175.100 177.684 -2.584 18048 2827 1 9 . 1 1 23 23 ILE CA C 23 62.300 62.300 63.849 -1.549 18048 2828 1 9 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.853 -3.553 18048 2829 1 9 . 1 1 23 23 ILE H H 23 7.670 7.670 7.901 -0.231 18048 2830 1 9 . 1 1 24 24 LYS N N 24 120.000 120.000 119.701 0.299 18048 2831 1 9 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.849 -0.759 18048 2832 1 9 . 1 1 24 24 LYS C C 24 175.400 175.400 178.945 -3.545 18048 2833 1 9 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.630 -2.230 18048 2834 1 9 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.616 -2.016 18048 2835 1 9 . 1 1 24 24 LYS H H 24 8.060 8.060 8.175 -0.115 18048 2836 1 9 . 1 1 25 25 ALA N N 25 119.000 119.000 121.179 -2.179 18048 2837 1 9 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.198 -0.168 18048 2838 1 9 . 1 1 25 25 ALA C C 25 178.700 178.700 180.064 -1.364 18048 2839 1 9 . 1 1 25 25 ALA CA C 25 52.300 52.300 54.876 -2.575 18048 2840 1 9 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.346 -3.646 18048 2841 1 9 . 1 1 25 25 ALA H H 25 7.410 7.410 8.000 -0.590 18048 2842 1 9 . 1 1 26 26 LYS N N 26 120.100 120.100 119.373 0.727 18048 2843 1 9 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.179 -0.129 18048 2844 1 9 . 1 1 26 26 LYS C C 26 177.600 177.600 179.141 -1.541 18048 2845 1 9 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.731 -2.131 18048 2846 1 9 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.052 -2.452 18048 2847 1 9 . 1 1 26 26 LYS H H 26 7.760 7.760 8.527 -0.767 18048 2848 1 9 . 1 1 27 27 MET N N 27 120.900 120.900 119.032 1.868 18048 2849 1 9 . 1 1 27 27 MET HA H 27 4.220 4.220 4.589 -0.369 18048 2850 1 9 . 1 1 27 27 MET C C 27 175.900 175.900 178.673 -2.773 18048 2851 1 9 . 1 1 27 27 MET CA C 27 58.000 58.000 56.987 1.013 18048 2852 1 9 . 1 1 27 27 MET CB C 27 30.600 30.600 31.852 -1.252 18048 2853 1 9 . 1 1 27 27 MET H H 27 8.620 8.620 8.279 0.341 18048 2854 1 9 . 1 1 28 28 GLN N N 28 119.700 119.700 118.934 0.766 18048 2855 1 9 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.201 -0.161 18048 2856 1 9 . 1 1 28 28 GLN C C 28 175.500 175.500 178.330 -2.830 18048 2857 1 9 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.321 -1.621 18048 2858 1 9 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.534 -1.834 18048 2859 1 9 . 1 1 28 28 GLN H H 28 8.970 8.970 8.023 0.947 18048 2860 1 9 . 1 1 29 29 ALA N N 29 120.900 120.900 122.816 -1.916 18048 2861 1 9 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.015 0.145 18048 2862 1 9 . 1 1 29 29 ALA C C 29 177.500 177.500 179.883 -2.383 18048 2863 1 9 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.298 -3.198 18048 2864 1 9 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.060 -3.260 18048 2865 1 9 . 1 1 29 29 ALA H H 29 7.940 7.940 8.382 -0.442 18048 2866 1 9 . 1 1 30 30 SER N N 30 112.900 112.900 115.186 -2.286 18048 2867 1 9 . 1 1 30 30 SER HA H 30 4.180 4.180 4.223 -0.043 18048 2868 1 9 . 1 1 30 30 SER CA C 30 58.900 58.900 62.599 -3.699 18048 2869 1 9 . 1 1 30 30 SER CB C 30 60.000 60.000 63.052 -3.052 18048 2870 1 9 . 1 1 30 30 SER H H 30 7.780 7.780 7.925 -0.145 18048 2871 1 9 . 1 1 31 31 ILE N N 31 122.000 122.000 121.893 0.107 18048 2872 1 9 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.926 -0.076 18048 2873 1 9 . 1 1 31 31 ILE C C 31 173.900 173.900 176.681 -2.781 18048 2874 1 9 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.106 -2.606 18048 2875 1 9 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.489 -3.590 18048 2876 1 9 . 1 1 31 31 ILE H H 31 7.940 7.940 8.008 -0.068 18048 2877 1 9 . 1 1 32 32 GLU N N 32 121.800 121.800 117.105 4.695 18048 2878 1 9 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.284 -0.254 18048 2879 1 9 . 1 1 32 32 GLU C C 32 175.200 175.200 177.872 -2.672 18048 2880 1 9 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.989 -1.688 18048 2881 1 9 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.750 -3.250 18048 2882 1 9 . 1 1 32 32 GLU H H 32 8.140 8.140 8.622 -0.482 18048 2883 1 9 . 1 1 33 33 LYS N N 33 116.200 116.200 118.759 -2.559 18048 2884 1 9 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.506 -0.126 18048 2885 1 9 . 1 1 33 33 LYS C C 33 173.800 173.800 178.341 -4.541 18048 2886 1 9 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.824 -3.924 18048 2887 1 9 . 1 1 33 33 LYS CB C 33 29.500 29.500 34.016 -4.516 18048 2888 1 9 . 1 1 33 33 LYS H H 33 7.350 7.350 7.959 -0.609 18048 2889 1 9 . 1 1 34 34 GLY N N 34 107.400 107.400 106.749 0.651 18048 2890 1 9 . 1 1 34 34 GLY C C 34 172.400 172.400 175.580 -3.180 18048 2891 1 9 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.198 -2.598 18048 2892 1 9 . 1 1 34 34 GLY H H 34 7.830 7.830 8.437 -0.607 18048 2893 1 9 . 1 1 35 35 GLY N N 35 109.200 109.200 109.043 0.157 18048 2894 1 9 . 1 1 35 35 GLY C C 35 169.500 169.500 175.042 -5.542 18048 2895 1 9 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.572 -3.972 18048 2896 1 9 . 1 1 35 35 GLY H H 35 8.330 8.330 8.076 0.254 18048 2897 1 9 . 1 1 36 36 SER N N 36 112.700 112.700 113.044 -0.344 18048 2898 1 9 . 1 1 36 36 SER HA H 36 4.610 4.610 4.467 0.143 18048 2899 1 9 . 1 1 36 36 SER C C 36 171.000 171.000 174.464 -3.464 18048 2900 1 9 . 1 1 36 36 SER CA C 36 54.000 54.000 57.358 -3.358 18048 2901 1 9 . 1 1 36 36 SER CB C 36 62.300 62.300 64.746 -2.446 18048 2902 1 9 . 1 1 36 36 SER H H 36 8.150 8.150 7.888 0.262 18048 2903 1 9 . 1 1 37 37 LEU N N 37 122.700 122.700 125.030 -2.330 18048 2904 1 9 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.934 0.226 18048 2905 1 9 . 1 1 37 37 LEU C C 37 173.600 173.600 175.211 -1.611 18048 2906 1 9 . 1 1 37 37 LEU CA C 37 53.400 53.400 53.972 -0.572 18048 2907 1 9 . 1 1 37 37 LEU CB C 37 40.500 40.500 42.142 -1.642 18048 2908 1 9 . 1 1 37 37 LEU H H 37 8.380 8.380 7.810 0.570 18048 2909 1 9 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.632 -0.362 18048 2910 1 9 . 1 1 38 38 PRO C C 38 174.400 174.400 176.096 -1.696 18048 2911 1 9 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.110 -0.710 18048 2912 1 9 . 1 1 38 38 PRO CB C 38 29.800 29.800 33.238 -3.438 18048 2913 1 9 . 1 1 39 39 LYS N N 39 122.300 122.300 119.687 2.613 18048 2914 1 9 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.277 0.103 18048 2915 1 9 . 1 1 39 39 LYS C C 39 172.300 172.300 176.832 -4.532 18048 2916 1 9 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.592 -3.892 18048 2917 1 9 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.127 -1.827 18048 2918 1 9 . 1 1 39 39 LYS H H 39 8.920 8.920 8.271 0.649 18048 2919 1 9 . 1 1 40 40 VAL N N 40 118.500 118.500 120.717 -2.217 18048 2920 1 9 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.142 0.138 18048 2921 1 9 . 1 1 40 40 VAL C C 40 173.600 173.600 176.582 -2.982 18048 2922 1 9 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.222 -3.122 18048 2923 1 9 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.569 -2.169 18048 2924 1 9 . 1 1 40 40 VAL H H 40 7.000 7.000 7.795 -0.795 18048 2925 1 9 . 1 1 41 41 GLU N N 41 131.800 131.800 129.867 1.933 18048 2926 1 9 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.846 0.104 18048 2927 1 9 . 1 1 41 41 GLU C C 41 174.700 174.700 177.969 -3.269 18048 2928 1 9 . 1 1 41 41 GLU CA C 41 57.700 57.700 60.513 -2.813 18048 2929 1 9 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.572 -2.472 18048 2930 1 9 . 1 1 41 41 GLU H H 41 8.820 8.820 9.051 -0.231 18048 2931 1 9 . 1 1 42 42 ALA N N 42 117.700 117.700 120.693 -2.993 18048 2932 1 9 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.103 -0.313 18048 2933 1 9 . 1 1 42 42 ALA C C 42 178.000 178.000 180.087 -2.087 18048 2934 1 9 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.987 -2.087 18048 2935 1 9 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.160 -2.760 18048 2936 1 9 . 1 1 42 42 ALA H H 42 8.630 8.630 8.503 0.127 18048 2937 1 9 . 1 1 43 43 LYS N N 43 113.500 113.500 119.724 -6.224 18048 2938 1 9 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.108 -0.018 18048 2939 1 9 . 1 1 43 43 LYS C C 43 176.600 176.600 178.837 -2.237 18048 2940 1 9 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.128 -3.928 18048 2941 1 9 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.477 -2.477 18048 2942 1 9 . 1 1 43 43 LYS H H 43 6.530 6.530 7.618 -1.088 18048 2943 1 9 . 1 1 44 44 PHE N N 44 123.600 123.600 121.739 1.861 18048 2944 1 9 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.183 -0.243 18048 2945 1 9 . 1 1 44 44 PHE C C 44 173.300 173.300 177.131 -3.831 18048 2946 1 9 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.851 -1.551 18048 2947 1 9 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.112 -2.412 18048 2948 1 9 . 1 1 44 44 PHE H H 44 8.610 8.610 8.558 0.052 18048 2949 1 9 . 1 1 45 45 ILE N N 45 119.600 119.600 119.130 0.470 18048 2950 1 9 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.350 0.020 18048 2951 1 9 . 1 1 45 45 ILE C C 45 174.700 174.700 177.463 -2.763 18048 2952 1 9 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.782 -2.282 18048 2953 1 9 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.490 -2.490 18048 2954 1 9 . 1 1 45 45 ILE H H 45 8.690 8.690 8.788 -0.098 18048 2955 1 9 . 1 1 46 46 ASN N N 46 115.900 115.900 118.321 -2.421 18048 2956 1 9 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.311 -0.061 18048 2957 1 9 . 1 1 46 46 ASN C C 46 173.800 173.800 177.436 -3.636 18048 2958 1 9 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.363 -2.563 18048 2959 1 9 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.370 -2.770 18048 2960 1 9 . 1 1 46 46 ASN H H 46 7.320 7.320 8.073 -0.753 18048 2961 1 9 . 1 1 47 47 TYR N N 47 120.900 120.900 120.824 0.076 18048 2962 1 9 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.189 0.101 18048 2963 1 9 . 1 1 47 47 TYR C C 47 174.400 174.400 177.837 -3.437 18048 2964 1 9 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.948 -3.748 18048 2965 1 9 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.896 -3.096 18048 2966 1 9 . 1 1 47 47 TYR H H 47 7.840 7.840 8.419 -0.579 18048 2967 1 9 . 1 1 48 48 VAL N N 48 117.800 117.800 120.786 -2.986 18048 2968 1 9 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.420 0.050 18048 2969 1 9 . 1 1 48 48 VAL C C 48 176.300 176.300 177.981 -1.681 18048 2970 1 9 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.780 -2.980 18048 2971 1 9 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.578 -3.178 18048 2972 1 9 . 1 1 48 48 VAL H H 48 8.260 8.260 8.521 -0.261 18048 2973 1 9 . 1 1 49 49 LYS N N 49 119.700 119.700 117.824 1.876 18048 2974 1 9 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.226 -0.276 18048 2975 1 9 . 1 1 49 49 LYS C C 49 176.400 176.400 178.774 -2.374 18048 2976 1 9 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.895 -1.295 18048 2977 1 9 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.104 -2.204 18048 2978 1 9 . 1 1 49 49 LYS H H 49 8.070 8.070 8.336 -0.266 18048 2979 1 9 . 1 1 50 50 ASN N N 50 115.600 115.600 117.272 -1.672 18048 2980 1 9 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.498 -0.148 18048 2981 1 9 . 1 1 50 50 ASN C C 50 174.100 174.100 176.333 -2.233 18048 2982 1 9 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.445 -2.445 18048 2983 1 9 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.614 -2.314 18048 2984 1 9 . 1 1 50 50 ASN H H 50 8.080 8.080 7.839 0.241 18048 2985 1 9 . 1 1 51 51 CYS N N 51 115.800 115.800 117.747 -1.947 18048 2986 1 9 . 1 1 51 51 CYS C C 51 172.800 172.800 174.638 -1.838 18048 2987 1 9 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.407 -2.607 18048 2988 1 9 . 1 1 51 51 CYS CB C 51 24.200 24.200 29.120 -4.920 18048 2989 1 9 . 1 1 51 51 CYS H H 51 8.480 8.480 7.459 1.021 18048 2990 1 9 . 1 1 52 52 PHE N N 52 112.700 112.700 118.576 -5.876 18048 2991 1 9 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.831 -0.211 18048 2992 1 9 . 1 1 52 52 PHE C C 52 171.900 171.900 174.733 -2.833 18048 2993 1 9 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.083 -1.483 18048 2994 1 9 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.892 -4.992 18048 2995 1 9 . 1 1 52 52 PHE H H 52 7.230 7.230 8.266 -1.036 18048 2996 1 9 . 1 1 53 53 ARG N N 53 114.500 114.500 122.374 -7.874 18048 2997 1 9 . 1 1 53 53 ARG C C 53 172.000 172.000 175.968 -3.968 18048 2998 1 9 . 1 1 53 53 ARG CA C 53 53.900 53.900 58.248 -4.348 18048 2999 1 9 . 1 1 53 53 ARG CB C 53 23.500 23.500 29.916 -6.416 18048 3000 1 9 . 1 1 53 53 ARG H H 53 7.200 7.200 7.602 -0.402 18048 3001 1 9 . 1 1 54 54 MET N N 54 116.800 116.800 117.710 -0.910 18048 3002 1 9 . 1 1 54 54 MET HA H 54 4.430 4.430 4.298 0.132 18048 3003 1 9 . 1 1 54 54 MET C C 54 172.600 172.600 175.050 -2.450 18048 3004 1 9 . 1 1 54 54 MET CA C 54 52.800 52.800 55.188 -2.388 18048 3005 1 9 . 1 1 54 54 MET CB C 54 31.500 31.500 31.405 0.095 18048 3006 1 9 . 1 1 54 54 MET H H 54 6.770 6.770 7.957 -1.187 18048 3007 1 9 . 1 1 55 55 THR N N 55 110.800 110.800 110.807 -0.007 18048 3008 1 9 . 1 1 55 55 THR HA H 55 4.280 4.280 4.259 0.021 18048 3009 1 9 . 1 1 55 55 THR C C 55 171.800 171.800 174.568 -2.768 18048 3010 1 9 . 1 1 55 55 THR CA C 55 58.400 58.400 62.796 -4.396 18048 3011 1 9 . 1 1 55 55 THR CB C 55 67.400 67.400 68.999 -1.599 18048 3012 1 9 . 1 1 55 55 THR H H 55 8.480 8.480 8.257 0.223 18048 3013 1 9 . 1 1 56 56 ASP N N 56 123.800 123.800 123.019 0.781 18048 3014 1 9 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.936 -0.457 18048 3015 1 9 . 1 1 56 56 ASP C C 56 173.200 173.200 175.787 -2.587 18048 3016 1 9 . 1 1 56 56 ASP CA C 56 51.600 51.600 53.613 -2.013 18048 3017 1 9 . 1 1 56 56 ASP CB C 56 39.100 39.100 42.677 -3.577 18048 3018 1 9 . 1 1 56 56 ASP H H 56 7.450 7.450 7.652 -0.202 18048 3019 1 9 . 1 1 57 57 GLN N N 57 126.600 126.600 125.869 0.731 18048 3020 1 9 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.898 -0.098 18048 3021 1 9 . 1 1 57 57 GLN C C 57 175.400 175.400 177.078 -1.678 18048 3022 1 9 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.020 -2.420 18048 3023 1 9 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.602 -3.002 18048 3024 1 9 . 1 1 57 57 GLN H H 57 8.880 8.880 9.018 -0.138 18048 3025 1 9 . 1 1 58 58 GLU N N 58 119.400 119.400 117.391 2.009 18048 3026 1 9 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.032 -0.052 18048 3027 1 9 . 1 1 58 58 GLU C C 58 175.900 175.900 178.382 -2.482 18048 3028 1 9 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.080 -2.180 18048 3029 1 9 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.892 -2.592 18048 3030 1 9 . 1 1 58 58 GLU H H 58 8.220 8.220 8.860 -0.640 18048 3031 1 9 . 1 1 59 59 ALA N N 59 123.300 123.300 122.343 0.957 18048 3032 1 9 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.288 -0.188 18048 3033 1 9 . 1 1 59 59 ALA C C 59 177.400 177.400 179.619 -2.219 18048 3034 1 9 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.417 -2.517 18048 3035 1 9 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.675 -2.775 18048 3036 1 9 . 1 1 59 59 ALA H H 59 7.710 7.710 7.706 0.004 18048 3037 1 9 . 1 1 60 60 ILE N N 60 117.300 117.300 120.266 -2.966 18048 3038 1 9 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.619 -0.119 18048 3039 1 9 . 1 1 60 60 ILE C C 60 175.100 175.100 178.202 -3.102 18048 3040 1 9 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.577 -1.777 18048 3041 1 9 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.037 -3.237 18048 3042 1 9 . 1 1 60 60 ILE H H 60 8.130 8.130 8.632 -0.502 18048 3043 1 9 . 1 1 61 61 GLN N N 61 118.800 118.800 118.452 0.348 18048 3044 1 9 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.275 -0.095 18048 3045 1 9 . 1 1 61 61 GLN C C 61 175.900 175.900 178.076 -2.176 18048 3046 1 9 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.960 -2.660 18048 3047 1 9 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.963 -2.963 18048 3048 1 9 . 1 1 61 61 GLN H H 61 8.000 8.000 8.597 -0.597 18048 3049 1 9 . 1 1 62 62 ASP N N 62 121.000 121.000 121.517 -0.517 18048 3050 1 9 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.526 -0.136 18048 3051 1 9 . 1 1 62 62 ASP C C 62 177.200 177.200 178.648 -1.448 18048 3052 1 9 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.322 -2.322 18048 3053 1 9 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.838 -2.938 18048 3054 1 9 . 1 1 62 62 ASP H H 62 8.020 8.020 7.757 0.263 18048 3055 1 9 . 1 1 63 63 LEU N N 63 120.700 120.700 120.963 -0.263 18048 3056 1 9 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.277 -0.077 18048 3057 1 9 . 1 1 63 63 LEU C C 63 175.600 175.600 178.948 -3.348 18048 3058 1 9 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.604 -2.204 18048 3059 1 9 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.228 -2.828 18048 3060 1 9 . 1 1 63 63 LEU H H 63 8.220 8.220 8.368 -0.148 18048 3061 1 9 . 1 1 64 64 TRP N N 64 122.400 122.400 121.215 1.185 18048 3062 1 9 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.218 -0.188 18048 3063 1 9 . 1 1 64 64 TRP C C 64 173.500 173.500 178.443 -4.943 18048 3064 1 9 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.465 -5.265 18048 3065 1 9 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.349 -2.549 18048 3066 1 9 . 1 1 64 64 TRP H H 64 8.890 8.890 8.589 0.301 18048 3067 1 9 . 1 1 65 65 GLN N N 65 116.700 116.700 118.643 -1.943 18048 3068 1 9 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.829 -0.539 18048 3069 1 9 . 1 1 65 65 GLN C C 65 176.200 176.200 178.179 -1.979 18048 3070 1 9 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.715 -3.815 18048 3071 1 9 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.257 -3.557 18048 3072 1 9 . 1 1 65 65 GLN H H 65 8.310 8.310 8.613 -0.303 18048 3073 1 9 . 1 1 66 66 TRP N N 66 119.500 119.500 120.874 -1.374 18048 3074 1 9 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.539 -0.529 18048 3075 1 9 . 1 1 66 66 TRP C C 66 175.100 175.100 178.152 -3.052 18048 3076 1 9 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.062 -1.962 18048 3077 1 9 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.749 -5.149 18048 3078 1 9 . 1 1 66 66 TRP H H 66 7.750 7.750 8.188 -0.438 18048 3079 1 9 . 1 1 67 67 ARG N N 67 122.300 122.300 118.638 3.662 18048 3080 1 9 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.078 -0.028 18048 3081 1 9 . 1 1 67 67 ARG C C 67 177.800 177.800 178.347 -0.547 18048 3082 1 9 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.678 -2.178 18048 3083 1 9 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.204 -4.904 18048 3084 1 9 . 1 1 67 67 ARG H H 67 8.640 8.640 8.002 0.638 18048 3085 1 9 . 1 1 68 68 LYS N N 68 118.400 118.400 120.261 -1.861 18048 3086 1 9 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.002 -0.612 18048 3087 1 9 . 1 1 68 68 LYS C C 68 173.800 173.800 177.789 -3.989 18048 3088 1 9 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.161 -2.661 18048 3089 1 9 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.349 -4.349 18048 3090 1 9 . 1 1 68 68 LYS H H 68 7.860 7.860 7.447 0.413 18048 3091 1 9 . 1 1 69 69 SER N N 69 114.500 114.500 113.067 1.433 18048 3092 1 9 . 1 1 69 69 SER HA H 69 4.200 4.200 4.247 -0.047 18048 3093 1 9 . 1 1 69 69 SER C C 69 170.300 170.300 174.696 -4.396 18048 3094 1 9 . 1 1 69 69 SER CA C 69 55.700 55.700 58.230 -2.530 18048 3095 1 9 . 1 1 69 69 SER CB C 69 61.500 61.500 62.981 -1.481 18048 3096 1 9 . 1 1 69 69 SER H H 69 7.060 7.060 7.815 -0.755 18048 3097 1 13 . 1 1 2 2 GLU N N 2 122.400 122.400 120.775 1.625 18048 3098 1 13 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.282 -0.152 18048 3099 1 13 . 1 1 2 2 GLU C C 2 173.800 173.800 176.567 -2.767 18048 3100 1 13 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.346 -2.246 18048 3101 1 13 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.988 -2.688 18048 3102 1 13 . 1 1 2 2 GLU H H 2 8.490 8.490 8.596 -0.106 18048 3103 1 13 . 1 1 3 3 SER N N 3 116.300 116.300 115.717 0.583 18048 3104 1 13 . 1 1 3 3 SER HA H 3 4.240 4.240 4.249 -0.009 18048 3105 1 13 . 1 1 3 3 SER C C 3 171.500 171.500 173.681 -2.181 18048 3106 1 13 . 1 1 3 3 SER CA C 3 55.800 55.800 59.262 -3.462 18048 3107 1 13 . 1 1 3 3 SER CB C 3 60.900 60.900 62.961 -2.061 18048 3108 1 13 . 1 1 3 3 SER H H 3 8.210 8.210 8.529 -0.319 18048 3109 1 13 . 1 1 4 4 PHE N N 4 121.700 121.700 120.818 0.882 18048 3110 1 13 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.639 -0.159 18048 3111 1 13 . 1 1 4 4 PHE C C 4 172.800 172.800 175.429 -2.629 18048 3112 1 13 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.712 -3.712 18048 3113 1 13 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.888 -3.388 18048 3114 1 13 . 1 1 4 4 PHE H H 4 8.040 8.040 8.333 -0.293 18048 3115 1 13 . 1 1 5 5 LYS N N 5 122.600 122.600 120.400 2.200 18048 3116 1 13 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.633 -0.513 18048 3117 1 13 . 1 1 5 5 LYS C C 5 173.400 173.400 175.034 -1.634 18048 3118 1 13 . 1 1 5 5 LYS CA C 5 53.400 53.400 55.614 -2.214 18048 3119 1 13 . 1 1 5 5 LYS CB C 5 30.100 30.100 34.340 -4.240 18048 3120 1 13 . 1 1 5 5 LYS H H 5 7.990 7.990 7.843 0.147 18048 3121 1 13 . 1 1 6 6 LYS N N 6 122.800 122.800 122.013 0.787 18048 3122 1 13 . 1 1 6 6 LYS C C 6 173.700 173.700 175.358 -1.658 18048 3123 1 13 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.212 -2.512 18048 3124 1 13 . 1 1 6 6 LYS H H 6 8.160 8.160 8.474 -0.314 18048 3125 1 13 . 1 1 7 7 GLN N N 7 120.800 120.800 122.295 -1.495 18048 3126 1 13 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.408 0.122 18048 3127 1 13 . 1 1 7 7 GLN C C 7 173.600 173.600 176.475 -2.875 18048 3128 1 13 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.253 -2.553 18048 3129 1 13 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.595 -2.295 18048 3130 1 13 . 1 1 7 7 GLN H H 7 8.240 8.240 8.646 -0.406 18048 3131 1 13 . 1 1 8 8 GLU N N 8 121.400 121.400 118.869 2.531 18048 3132 1 13 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.006 0.194 18048 3133 1 13 . 1 1 8 8 GLU C C 8 173.100 173.100 176.244 -3.144 18048 3134 1 13 . 1 1 8 8 GLU CA C 8 52.900 52.900 58.339 -5.439 18048 3135 1 13 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.035 -1.435 18048 3136 1 13 . 1 1 8 8 GLU H H 8 8.270 8.270 8.837 -0.567 18048 3137 1 13 . 1 1 9 9 LYS N N 9 123.000 123.000 118.467 4.533 18048 3138 1 13 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.557 -0.317 18048 3139 1 13 . 1 1 9 9 LYS C C 9 173.700 173.700 174.943 -1.243 18048 3140 1 13 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.070 -1.570 18048 3141 1 13 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.983 -3.883 18048 3142 1 13 . 1 1 9 9 LYS H H 9 8.390 8.390 7.971 0.419 18048 3143 1 13 . 1 1 10 10 THR N N 10 117.900 117.900 117.559 0.341 18048 3144 1 13 . 1 1 10 10 THR HA H 10 4.450 4.450 4.199 0.251 18048 3145 1 13 . 1 1 10 10 THR C C 10 170.000 170.000 172.994 -2.994 18048 3146 1 13 . 1 1 10 10 THR CA C 10 57.000 57.000 61.434 -4.434 18048 3147 1 13 . 1 1 10 10 THR CB C 10 66.800 66.800 68.536 -1.736 18048 3148 1 13 . 1 1 10 10 THR H H 10 8.140 8.140 8.398 -0.258 18048 3149 1 13 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.476 -0.166 18048 3150 1 13 . 1 1 11 11 PRO C C 11 173.800 173.800 176.445 -2.645 18048 3151 1 13 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.220 -2.820 18048 3152 1 13 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.597 -3.297 18048 3153 1 13 . 1 1 12 12 LYS N N 12 121.700 121.700 120.674 1.026 18048 3154 1 13 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.624 -0.414 18048 3155 1 13 . 1 1 12 12 LYS CA C 12 53.500 53.500 55.740 -2.240 18048 3156 1 13 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.541 -3.341 18048 3157 1 13 . 1 1 12 12 LYS H H 12 8.380 8.380 8.417 -0.037 18048 3158 1 13 . 1 1 13 13 THR N N 13 115.600 115.600 117.075 -1.475 18048 3159 1 13 . 1 1 13 13 THR HA H 13 4.360 4.360 4.714 -0.354 18048 3160 1 13 . 1 1 13 13 THR C C 13 169.800 169.800 172.192 -2.392 18048 3161 1 13 . 1 1 13 13 THR CA C 13 55.800 55.800 60.293 -4.493 18048 3162 1 13 . 1 1 13 13 THR CB C 13 67.800 67.800 69.469 -1.669 18048 3163 1 13 . 1 1 13 13 THR H H 13 7.940 7.940 8.127 -0.187 18048 3164 1 13 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.534 -0.143 18048 3165 1 13 . 1 1 14 14 PRO C C 14 174.000 174.000 175.337 -1.337 18048 3166 1 13 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.928 -2.628 18048 3167 1 13 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.021 -2.821 18048 3168 1 13 . 1 1 15 15 LYS N N 15 121.700 121.700 120.533 1.167 18048 3169 1 13 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.373 -0.163 18048 3170 1 13 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.553 -2.053 18048 3171 1 13 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.337 -4.037 18048 3172 1 13 . 1 1 15 15 LYS H H 15 8.360 8.360 8.094 0.266 18048 3173 1 13 . 1 1 16 16 GLY N N 16 110.100 110.100 110.805 -0.705 18048 3174 1 13 . 1 1 16 16 GLY C C 16 168.900 168.900 172.264 -3.364 18048 3175 1 13 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.697 -2.998 18048 3176 1 13 . 1 1 16 16 GLY H H 16 8.220 8.220 8.570 -0.350 18048 3177 1 13 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.762 -0.382 18048 3178 1 13 . 1 1 17 17 PRO C C 17 174.600 174.600 176.871 -2.271 18048 3179 1 13 . 1 1 17 17 PRO CA C 17 60.500 60.500 61.572 -1.072 18048 3180 1 13 . 1 1 17 17 PRO CB C 17 29.400 29.400 33.238 -3.838 18048 3181 1 13 . 1 1 18 18 SER N N 18 116.500 116.500 115.945 0.555 18048 3182 1 13 . 1 1 18 18 SER HA H 18 4.420 4.420 4.708 -0.288 18048 3183 1 13 . 1 1 18 18 SER C C 18 171.300 171.300 173.747 -2.447 18048 3184 1 13 . 1 1 18 18 SER CA C 18 55.900 55.900 59.109 -3.209 18048 3185 1 13 . 1 1 18 18 SER CB C 18 61.400 61.400 62.166 -0.766 18048 3186 1 13 . 1 1 18 18 SER H H 18 8.520 8.520 8.724 -0.204 18048 3187 1 13 . 1 1 19 19 SER N N 19 117.700 117.700 115.705 1.995 18048 3188 1 13 . 1 1 19 19 SER HA H 19 4.370 4.370 4.716 -0.346 18048 3189 1 13 . 1 1 19 19 SER C C 19 172.600 172.600 174.863 -2.263 18048 3190 1 13 . 1 1 19 19 SER CA C 19 55.500 55.500 57.442 -1.942 18048 3191 1 13 . 1 1 19 19 SER CB C 19 61.400 61.400 65.628 -4.228 18048 3192 1 13 . 1 1 19 19 SER H H 19 8.490 8.490 7.562 0.928 18048 3193 1 13 . 1 1 20 20 VAL N N 20 120.500 120.500 124.390 -3.890 18048 3194 1 13 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.803 -0.313 18048 3195 1 13 . 1 1 20 20 VAL C C 20 174.300 174.300 176.958 -2.658 18048 3196 1 13 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.292 -1.792 18048 3197 1 13 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.244 -2.344 18048 3198 1 13 . 1 1 20 20 VAL H H 20 8.310 8.310 8.810 -0.500 18048 3199 1 13 . 1 1 21 21 GLU N N 21 118.700 118.700 118.997 -0.297 18048 3200 1 13 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.867 -0.237 18048 3201 1 13 . 1 1 21 21 GLU C C 21 176.300 176.300 178.820 -2.520 18048 3202 1 13 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.217 -2.317 18048 3203 1 13 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.409 -2.509 18048 3204 1 13 . 1 1 21 21 GLU H H 21 8.110 8.110 8.670 -0.560 18048 3205 1 13 . 1 1 22 22 ASP N N 22 120.400 120.400 120.074 0.326 18048 3206 1 13 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.180 0.080 18048 3207 1 13 . 1 1 22 22 ASP C C 22 175.600 175.600 177.566 -1.966 18048 3208 1 13 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.160 -2.959 18048 3209 1 13 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.314 -2.414 18048 3210 1 13 . 1 1 22 22 ASP H H 22 7.810 7.810 7.963 -0.153 18048 3211 1 13 . 1 1 23 23 ILE N N 23 120.900 120.900 120.315 0.585 18048 3212 1 13 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.657 -0.557 18048 3213 1 13 . 1 1 23 23 ILE C C 23 175.100 175.100 177.680 -2.580 18048 3214 1 13 . 1 1 23 23 ILE CA C 23 62.300 62.300 63.389 -1.089 18048 3215 1 13 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.811 -3.511 18048 3216 1 13 . 1 1 23 23 ILE H H 23 7.670 7.670 7.780 -0.110 18048 3217 1 13 . 1 1 24 24 LYS N N 24 120.000 120.000 120.122 -0.122 18048 3218 1 13 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.757 -0.667 18048 3219 1 13 . 1 1 24 24 LYS C C 24 175.400 175.400 178.698 -3.298 18048 3220 1 13 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.149 -1.749 18048 3221 1 13 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.363 -1.763 18048 3222 1 13 . 1 1 24 24 LYS H H 24 8.060 8.060 8.051 0.009 18048 3223 1 13 . 1 1 25 25 ALA N N 25 119.000 119.000 121.254 -2.254 18048 3224 1 13 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.033 -0.003 18048 3225 1 13 . 1 1 25 25 ALA C C 25 178.700 178.700 179.979 -1.279 18048 3226 1 13 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.262 -2.962 18048 3227 1 13 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.205 -3.505 18048 3228 1 13 . 1 1 25 25 ALA H H 25 7.410 7.410 7.909 -0.499 18048 3229 1 13 . 1 1 26 26 LYS N N 26 120.100 120.100 118.159 1.941 18048 3230 1 13 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.015 0.035 18048 3231 1 13 . 1 1 26 26 LYS C C 26 177.600 177.600 179.071 -1.471 18048 3232 1 13 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.475 -2.875 18048 3233 1 13 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.209 -2.609 18048 3234 1 13 . 1 1 26 26 LYS H H 26 7.760 7.760 8.182 -0.422 18048 3235 1 13 . 1 1 27 27 MET N N 27 120.900 120.900 119.784 1.116 18048 3236 1 13 . 1 1 27 27 MET HA H 27 4.220 4.220 4.310 -0.090 18048 3237 1 13 . 1 1 27 27 MET C C 27 175.900 175.900 178.508 -2.608 18048 3238 1 13 . 1 1 27 27 MET CA C 27 58.000 58.000 59.843 -1.843 18048 3239 1 13 . 1 1 27 27 MET CB C 27 30.600 30.600 32.759 -2.159 18048 3240 1 13 . 1 1 27 27 MET H H 27 8.620 8.620 8.003 0.617 18048 3241 1 13 . 1 1 28 28 GLN N N 28 119.700 119.700 118.960 0.740 18048 3242 1 13 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.131 -0.091 18048 3243 1 13 . 1 1 28 28 GLN C C 28 175.500 175.500 178.217 -2.717 18048 3244 1 13 . 1 1 28 28 GLN CA C 28 56.700 56.700 59.181 -2.481 18048 3245 1 13 . 1 1 28 28 GLN CB C 28 25.700 25.700 28.086 -2.386 18048 3246 1 13 . 1 1 28 28 GLN H H 28 8.970 8.970 8.359 0.611 18048 3247 1 13 . 1 1 29 29 ALA N N 29 120.900 120.900 122.048 -1.148 18048 3248 1 13 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.011 0.149 18048 3249 1 13 . 1 1 29 29 ALA C C 29 177.500 177.500 179.920 -2.420 18048 3250 1 13 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.255 -3.155 18048 3251 1 13 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.125 -3.325 18048 3252 1 13 . 1 1 29 29 ALA H H 29 7.940 7.940 8.507 -0.567 18048 3253 1 13 . 1 1 30 30 SER N N 30 112.900 112.900 114.838 -1.938 18048 3254 1 13 . 1 1 30 30 SER HA H 30 4.180 4.180 4.181 -0.001 18048 3255 1 13 . 1 1 30 30 SER CA C 30 58.900 58.900 63.062 -4.162 18048 3256 1 13 . 1 1 30 30 SER CB C 30 60.000 60.000 63.170 -3.170 18048 3257 1 13 . 1 1 30 30 SER H H 30 7.780 7.780 7.780 -0.000 18048 3258 1 13 . 1 1 31 31 ILE N N 31 122.000 122.000 121.118 0.882 18048 3259 1 13 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.922 -0.072 18048 3260 1 13 . 1 1 31 31 ILE C C 31 173.900 173.900 176.528 -2.628 18048 3261 1 13 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.459 -1.959 18048 3262 1 13 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.368 -3.468 18048 3263 1 13 . 1 1 31 31 ILE H H 31 7.940 7.940 7.921 0.019 18048 3264 1 13 . 1 1 32 32 GLU N N 32 121.800 121.800 117.837 3.963 18048 3265 1 13 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.261 -0.231 18048 3266 1 13 . 1 1 32 32 GLU C C 32 175.200 175.200 178.031 -2.831 18048 3267 1 13 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.047 -1.747 18048 3268 1 13 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.083 -3.583 18048 3269 1 13 . 1 1 32 32 GLU H H 32 8.140 8.140 8.466 -0.326 18048 3270 1 13 . 1 1 33 33 LYS N N 33 116.200 116.200 117.529 -1.329 18048 3271 1 13 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.534 -0.154 18048 3272 1 13 . 1 1 33 33 LYS C C 33 173.800 173.800 177.801 -4.001 18048 3273 1 13 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.369 -3.469 18048 3274 1 13 . 1 1 33 33 LYS CB C 33 29.500 29.500 34.110 -4.610 18048 3275 1 13 . 1 1 33 33 LYS H H 33 7.350 7.350 8.317 -0.967 18048 3276 1 13 . 1 1 34 34 GLY N N 34 107.400 107.400 107.042 0.358 18048 3277 1 13 . 1 1 34 34 GLY C C 34 172.400 172.400 175.081 -2.681 18048 3278 1 13 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.009 -2.409 18048 3279 1 13 . 1 1 34 34 GLY H H 34 7.830 7.830 8.203 -0.373 18048 3280 1 13 . 1 1 35 35 GLY N N 35 109.200 109.200 108.839 0.361 18048 3281 1 13 . 1 1 35 35 GLY C C 35 169.500 169.500 174.107 -4.607 18048 3282 1 13 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.195 -3.595 18048 3283 1 13 . 1 1 35 35 GLY H H 35 8.330 8.330 7.783 0.547 18048 3284 1 13 . 1 1 36 36 SER N N 36 112.700 112.700 115.796 -3.096 18048 3285 1 13 . 1 1 36 36 SER HA H 36 4.610 4.610 4.714 -0.104 18048 3286 1 13 . 1 1 36 36 SER C C 36 171.000 171.000 172.644 -1.644 18048 3287 1 13 . 1 1 36 36 SER CA C 36 54.000 54.000 57.775 -3.775 18048 3288 1 13 . 1 1 36 36 SER CB C 36 62.300 62.300 65.522 -3.222 18048 3289 1 13 . 1 1 36 36 SER H H 36 8.150 8.150 7.892 0.258 18048 3290 1 13 . 1 1 37 37 LEU N N 37 122.700 122.700 124.059 -1.359 18048 3291 1 13 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.665 -0.505 18048 3292 1 13 . 1 1 37 37 LEU C C 37 173.600 173.600 174.733 -1.133 18048 3293 1 13 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.079 1.321 18048 3294 1 13 . 1 1 37 37 LEU CB C 37 40.500 40.500 45.151 -4.651 18048 3295 1 13 . 1 1 37 37 LEU H H 37 8.380 8.380 8.362 0.018 18048 3296 1 13 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.687 -0.417 18048 3297 1 13 . 1 1 38 38 PRO C C 38 174.400 174.400 176.788 -2.388 18048 3298 1 13 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.813 -1.413 18048 3299 1 13 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.765 -2.965 18048 3300 1 13 . 1 1 39 39 LYS N N 39 122.300 122.300 120.194 2.106 18048 3301 1 13 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.494 -0.114 18048 3302 1 13 . 1 1 39 39 LYS C C 39 172.300 172.300 176.375 -4.075 18048 3303 1 13 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.060 -3.361 18048 3304 1 13 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.529 -2.228 18048 3305 1 13 . 1 1 39 39 LYS H H 39 8.920 8.920 8.482 0.438 18048 3306 1 13 . 1 1 40 40 VAL N N 40 118.500 118.500 120.929 -2.429 18048 3307 1 13 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.392 -0.112 18048 3308 1 13 . 1 1 40 40 VAL C C 40 173.600 173.600 176.090 -2.490 18048 3309 1 13 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.129 -2.029 18048 3310 1 13 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.367 -2.967 18048 3311 1 13 . 1 1 40 40 VAL H H 40 7.000 7.000 7.739 -0.739 18048 3312 1 13 . 1 1 41 41 GLU N N 41 131.800 131.800 128.740 3.060 18048 3313 1 13 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.334 0.616 18048 3314 1 13 . 1 1 41 41 GLU C C 41 174.700 174.700 177.655 -2.955 18048 3315 1 13 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.471 -1.771 18048 3316 1 13 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.086 -1.986 18048 3317 1 13 . 1 1 41 41 GLU H H 41 8.820 8.820 9.103 -0.283 18048 3318 1 13 . 1 1 42 42 ALA N N 42 117.700 117.700 122.166 -4.466 18048 3319 1 13 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.118 -0.328 18048 3320 1 13 . 1 1 42 42 ALA C C 42 178.000 178.000 180.003 -2.003 18048 3321 1 13 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.870 -1.970 18048 3322 1 13 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.060 -2.660 18048 3323 1 13 . 1 1 42 42 ALA H H 42 8.630 8.630 8.434 0.196 18048 3324 1 13 . 1 1 43 43 LYS N N 43 113.500 113.500 119.397 -5.897 18048 3325 1 13 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.120 -0.030 18048 3326 1 13 . 1 1 43 43 LYS C C 43 176.600 176.600 178.929 -2.329 18048 3327 1 13 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.556 -3.356 18048 3328 1 13 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.080 -2.080 18048 3329 1 13 . 1 1 43 43 LYS H H 43 6.530 6.530 7.687 -1.157 18048 3330 1 13 . 1 1 44 44 PHE N N 44 123.600 123.600 121.943 1.657 18048 3331 1 13 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.264 -0.324 18048 3332 1 13 . 1 1 44 44 PHE C C 44 173.300 173.300 177.406 -4.106 18048 3333 1 13 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.742 -1.442 18048 3334 1 13 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.086 -2.386 18048 3335 1 13 . 1 1 44 44 PHE H H 44 8.610 8.610 8.325 0.285 18048 3336 1 13 . 1 1 45 45 ILE N N 45 119.600 119.600 118.988 0.612 18048 3337 1 13 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.304 0.066 18048 3338 1 13 . 1 1 45 45 ILE C C 45 174.700 174.700 177.347 -2.647 18048 3339 1 13 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.503 -2.003 18048 3340 1 13 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.441 -2.441 18048 3341 1 13 . 1 1 45 45 ILE H H 45 8.690 8.690 8.404 0.286 18048 3342 1 13 . 1 1 46 46 ASN N N 46 115.900 115.900 118.825 -2.925 18048 3343 1 13 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.278 -0.028 18048 3344 1 13 . 1 1 46 46 ASN C C 46 173.800 173.800 177.263 -3.463 18048 3345 1 13 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.447 -2.647 18048 3346 1 13 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.327 -2.727 18048 3347 1 13 . 1 1 46 46 ASN H H 46 7.320 7.320 8.135 -0.815 18048 3348 1 13 . 1 1 47 47 TYR N N 47 120.900 120.900 120.701 0.199 18048 3349 1 13 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.280 0.010 18048 3350 1 13 . 1 1 47 47 TYR C C 47 174.400 174.400 177.597 -3.197 18048 3351 1 13 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.334 -3.134 18048 3352 1 13 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.685 -2.885 18048 3353 1 13 . 1 1 47 47 TYR H H 47 7.840 7.840 8.121 -0.281 18048 3354 1 13 . 1 1 48 48 VAL N N 48 117.800 117.800 120.074 -2.274 18048 3355 1 13 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.270 0.200 18048 3356 1 13 . 1 1 48 48 VAL C C 48 176.300 176.300 177.624 -1.324 18048 3357 1 13 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.942 -3.142 18048 3358 1 13 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.179 -2.779 18048 3359 1 13 . 1 1 48 48 VAL H H 48 8.260 8.260 8.267 -0.007 18048 3360 1 13 . 1 1 49 49 LYS N N 49 119.700 119.700 119.562 0.138 18048 3361 1 13 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.912 0.038 18048 3362 1 13 . 1 1 49 49 LYS C C 49 176.400 176.400 178.560 -2.160 18048 3363 1 13 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.924 -2.324 18048 3364 1 13 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.146 -2.246 18048 3365 1 13 . 1 1 49 49 LYS H H 49 8.070 8.070 8.103 -0.033 18048 3366 1 13 . 1 1 50 50 ASN N N 50 115.600 115.600 117.303 -1.703 18048 3367 1 13 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.442 -0.092 18048 3368 1 13 . 1 1 50 50 ASN C C 50 174.100 174.100 176.490 -2.390 18048 3369 1 13 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.566 -2.566 18048 3370 1 13 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.700 -2.401 18048 3371 1 13 . 1 1 50 50 ASN H H 50 8.080 8.080 8.095 -0.015 18048 3372 1 13 . 1 1 51 51 CYS N N 51 115.800 115.800 115.550 0.250 18048 3373 1 13 . 1 1 51 51 CYS C C 51 172.800 172.800 174.149 -1.349 18048 3374 1 13 . 1 1 51 51 CYS CA C 51 58.800 58.800 60.580 -1.780 18048 3375 1 13 . 1 1 51 51 CYS CB C 51 24.200 24.200 29.123 -4.923 18048 3376 1 13 . 1 1 51 51 CYS H H 51 8.480 8.480 7.868 0.612 18048 3377 1 13 . 1 1 52 52 PHE N N 52 112.700 112.700 117.802 -5.102 18048 3378 1 13 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.632 -0.012 18048 3379 1 13 . 1 1 52 52 PHE C C 52 171.900 171.900 174.467 -2.567 18048 3380 1 13 . 1 1 52 52 PHE CA C 52 54.600 54.600 58.049 -3.449 18048 3381 1 13 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.457 -4.557 18048 3382 1 13 . 1 1 52 52 PHE H H 52 7.230 7.230 8.163 -0.933 18048 3383 1 13 . 1 1 53 53 ARG N N 53 114.500 114.500 120.422 -5.922 18048 3384 1 13 . 1 1 53 53 ARG C C 53 172.000 172.000 175.622 -3.622 18048 3385 1 13 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.759 -2.859 18048 3386 1 13 . 1 1 53 53 ARG CB C 53 23.500 23.500 29.364 -5.864 18048 3387 1 13 . 1 1 53 53 ARG H H 53 7.200 7.200 8.255 -1.054 18048 3388 1 13 . 1 1 54 54 MET N N 54 116.800 116.800 121.767 -4.967 18048 3389 1 13 . 1 1 54 54 MET HA H 54 4.430 4.430 4.204 0.226 18048 3390 1 13 . 1 1 54 54 MET C C 54 172.600 172.600 177.682 -5.082 18048 3391 1 13 . 1 1 54 54 MET CA C 54 52.800 52.800 57.128 -4.328 18048 3392 1 13 . 1 1 54 54 MET CB C 54 31.500 31.500 32.992 -1.492 18048 3393 1 13 . 1 1 54 54 MET H H 54 6.770 6.770 8.457 -1.687 18048 3394 1 13 . 1 1 55 55 THR N N 55 110.800 110.800 110.746 0.054 18048 3395 1 13 . 1 1 55 55 THR HA H 55 4.280 4.280 3.886 0.394 18048 3396 1 13 . 1 1 55 55 THR C C 55 171.800 171.800 173.661 -1.861 18048 3397 1 13 . 1 1 55 55 THR CA C 55 58.400 58.400 64.645 -6.245 18048 3398 1 13 . 1 1 55 55 THR CB C 55 67.400 67.400 67.997 -0.597 18048 3399 1 13 . 1 1 55 55 THR H H 55 8.480 8.480 8.220 0.260 18048 3400 1 13 . 1 1 56 56 ASP N N 56 123.800 123.800 123.012 0.788 18048 3401 1 13 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.693 -0.213 18048 3402 1 13 . 1 1 56 56 ASP C C 56 173.200 173.200 176.183 -2.983 18048 3403 1 13 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.029 -2.429 18048 3404 1 13 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.835 -1.735 18048 3405 1 13 . 1 1 56 56 ASP H H 56 7.450 7.450 8.076 -0.626 18048 3406 1 13 . 1 1 57 57 GLN N N 57 126.600 126.600 125.403 1.197 18048 3407 1 13 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.973 -0.173 18048 3408 1 13 . 1 1 57 57 GLN C C 57 175.400 175.400 177.519 -2.119 18048 3409 1 13 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.809 -2.209 18048 3410 1 13 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.551 -2.951 18048 3411 1 13 . 1 1 57 57 GLN H H 57 8.880 8.880 8.843 0.037 18048 3412 1 13 . 1 1 58 58 GLU N N 58 119.400 119.400 117.816 1.584 18048 3413 1 13 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.105 -0.125 18048 3414 1 13 . 1 1 58 58 GLU C C 58 175.900 175.900 178.330 -2.430 18048 3415 1 13 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.074 -2.174 18048 3416 1 13 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.918 -2.618 18048 3417 1 13 . 1 1 58 58 GLU H H 58 8.220 8.220 8.898 -0.678 18048 3418 1 13 . 1 1 59 59 ALA N N 59 123.300 123.300 122.455 0.845 18048 3419 1 13 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.220 -0.120 18048 3420 1 13 . 1 1 59 59 ALA C C 59 177.400 177.400 179.811 -2.411 18048 3421 1 13 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.621 -2.721 18048 3422 1 13 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.444 -2.544 18048 3423 1 13 . 1 1 59 59 ALA H H 59 7.710 7.710 7.612 0.098 18048 3424 1 13 . 1 1 60 60 ILE N N 60 117.300 117.300 119.874 -2.574 18048 3425 1 13 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.797 -0.297 18048 3426 1 13 . 1 1 60 60 ILE C C 60 175.100 175.100 178.288 -3.188 18048 3427 1 13 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.081 -1.281 18048 3428 1 13 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.136 -3.336 18048 3429 1 13 . 1 1 60 60 ILE H H 60 8.130 8.130 8.031 0.099 18048 3430 1 13 . 1 1 61 61 GLN N N 61 118.800 118.800 119.070 -0.270 18048 3431 1 13 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.250 -0.070 18048 3432 1 13 . 1 1 61 61 GLN C C 61 175.900 175.900 178.078 -2.178 18048 3433 1 13 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.874 -2.574 18048 3434 1 13 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.878 -2.878 18048 3435 1 13 . 1 1 61 61 GLN H H 61 8.000 8.000 8.763 -0.763 18048 3436 1 13 . 1 1 62 62 ASP N N 62 121.000 121.000 121.382 -0.382 18048 3437 1 13 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.557 -0.167 18048 3438 1 13 . 1 1 62 62 ASP C C 62 177.200 177.200 178.593 -1.393 18048 3439 1 13 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.255 -2.255 18048 3440 1 13 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.984 -3.084 18048 3441 1 13 . 1 1 62 62 ASP H H 62 8.020 8.020 7.826 0.194 18048 3442 1 13 . 1 1 63 63 LEU N N 63 120.700 120.700 121.169 -0.469 18048 3443 1 13 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.428 -0.228 18048 3444 1 13 . 1 1 63 63 LEU C C 63 175.600 175.600 178.717 -3.117 18048 3445 1 13 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.715 -2.315 18048 3446 1 13 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.690 -2.289 18048 3447 1 13 . 1 1 63 63 LEU H H 63 8.220 8.220 8.245 -0.025 18048 3448 1 13 . 1 1 64 64 TRP N N 64 122.400 122.400 122.093 0.307 18048 3449 1 13 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.848 0.182 18048 3450 1 13 . 1 1 64 64 TRP C C 64 173.500 173.500 178.194 -4.694 18048 3451 1 13 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.206 -4.006 18048 3452 1 13 . 1 1 64 64 TRP CB C 64 26.800 26.800 30.064 -3.264 18048 3453 1 13 . 1 1 64 64 TRP H H 64 8.890 8.890 8.877 0.014 18048 3454 1 13 . 1 1 65 65 GLN N N 65 116.700 116.700 117.059 -0.359 18048 3455 1 13 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.841 -0.551 18048 3456 1 13 . 1 1 65 65 GLN C C 65 176.200 176.200 177.899 -1.699 18048 3457 1 13 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.351 -3.451 18048 3458 1 13 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.265 -3.565 18048 3459 1 13 . 1 1 65 65 GLN H H 65 8.310 8.310 8.488 -0.178 18048 3460 1 13 . 1 1 66 66 TRP N N 66 119.500 119.500 122.211 -2.711 18048 3461 1 13 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.340 -0.330 18048 3462 1 13 . 1 1 66 66 TRP C C 66 175.100 175.100 177.785 -2.685 18048 3463 1 13 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.891 -2.791 18048 3464 1 13 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.622 -5.022 18048 3465 1 13 . 1 1 66 66 TRP H H 66 7.750 7.750 8.127 -0.377 18048 3466 1 13 . 1 1 67 67 ARG N N 67 122.300 122.300 120.395 1.905 18048 3467 1 13 . 1 1 67 67 ARG HA H 67 4.050 4.050 3.969 0.081 18048 3468 1 13 . 1 1 67 67 ARG C C 67 177.800 177.800 178.526 -0.726 18048 3469 1 13 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.816 -2.316 18048 3470 1 13 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.863 -4.563 18048 3471 1 13 . 1 1 67 67 ARG H H 67 8.640 8.640 8.179 0.461 18048 3472 1 13 . 1 1 68 68 LYS N N 68 118.400 118.400 118.395 0.005 18048 3473 1 13 . 1 1 68 68 LYS HA H 68 3.390 3.390 3.923 -0.533 18048 3474 1 13 . 1 1 68 68 LYS C C 68 173.800 173.800 177.579 -3.779 18048 3475 1 13 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.814 -2.314 18048 3476 1 13 . 1 1 68 68 LYS CB C 68 28.000 28.000 31.493 -3.493 18048 3477 1 13 . 1 1 68 68 LYS H H 68 7.860 7.860 7.782 0.078 18048 3478 1 13 . 1 1 69 69 SER N N 69 114.500 114.500 113.320 1.180 18048 3479 1 13 . 1 1 69 69 SER HA H 69 4.200 4.200 4.287 -0.087 18048 3480 1 13 . 1 1 69 69 SER C C 69 170.300 170.300 173.130 -2.830 18048 3481 1 13 . 1 1 69 69 SER CA C 69 55.700 55.700 58.471 -2.771 18048 3482 1 13 . 1 1 69 69 SER CB C 69 61.500 61.500 62.806 -1.306 18048 3483 1 13 . 1 1 69 69 SER H H 69 7.060 7.060 7.352 -0.292 18048 3484 1 14 . 1 1 2 2 GLU N N 2 122.400 122.400 119.903 2.497 18048 3485 1 14 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.960 -0.830 18048 3486 1 14 . 1 1 2 2 GLU C C 2 173.800 173.800 177.309 -3.509 18048 3487 1 14 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.452 -2.352 18048 3488 1 14 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.326 -3.026 18048 3489 1 14 . 1 1 2 2 GLU H H 2 8.490 8.490 8.481 0.009 18048 3490 1 14 . 1 1 3 3 SER N N 3 116.300 116.300 116.554 -0.254 18048 3491 1 14 . 1 1 3 3 SER HA H 3 4.240 4.240 4.466 -0.226 18048 3492 1 14 . 1 1 3 3 SER C C 3 171.500 171.500 175.343 -3.843 18048 3493 1 14 . 1 1 3 3 SER CA C 3 55.800 55.800 59.483 -3.683 18048 3494 1 14 . 1 1 3 3 SER CB C 3 60.900 60.900 62.985 -2.085 18048 3495 1 14 . 1 1 3 3 SER H H 3 8.210 8.210 8.789 -0.579 18048 3496 1 14 . 1 1 4 4 PHE N N 4 121.700 121.700 120.942 0.758 18048 3497 1 14 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.350 0.130 18048 3498 1 14 . 1 1 4 4 PHE C C 4 172.800 172.800 175.585 -2.785 18048 3499 1 14 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.344 -3.344 18048 3500 1 14 . 1 1 4 4 PHE CB C 4 36.500 36.500 38.712 -2.212 18048 3501 1 14 . 1 1 4 4 PHE H H 4 8.040 8.040 8.356 -0.316 18048 3502 1 14 . 1 1 5 5 LYS N N 5 122.600 122.600 117.410 5.190 18048 3503 1 14 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.408 -0.288 18048 3504 1 14 . 1 1 5 5 LYS C C 5 173.400 173.400 174.616 -1.216 18048 3505 1 14 . 1 1 5 5 LYS CA C 5 53.400 53.400 55.366 -1.966 18048 3506 1 14 . 1 1 5 5 LYS CB C 5 30.100 30.100 34.698 -4.598 18048 3507 1 14 . 1 1 5 5 LYS H H 5 7.990 7.990 6.810 1.180 18048 3508 1 14 . 1 1 6 6 LYS N N 6 122.800 122.800 119.528 3.272 18048 3509 1 14 . 1 1 6 6 LYS C C 6 173.700 173.700 176.811 -3.111 18048 3510 1 14 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.546 -2.846 18048 3511 1 14 . 1 1 6 6 LYS H H 6 8.160 8.160 8.433 -0.273 18048 3512 1 14 . 1 1 7 7 GLN N N 7 120.800 120.800 119.750 1.050 18048 3513 1 14 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.444 0.086 18048 3514 1 14 . 1 1 7 7 GLN C C 7 173.600 173.600 175.148 -1.548 18048 3515 1 14 . 1 1 7 7 GLN CA C 7 53.700 53.700 55.865 -2.165 18048 3516 1 14 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.365 -2.065 18048 3517 1 14 . 1 1 7 7 GLN H H 7 8.240 8.240 8.055 0.185 18048 3518 1 14 . 1 1 8 8 GLU N N 8 121.400 121.400 119.960 1.440 18048 3519 1 14 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.598 -0.398 18048 3520 1 14 . 1 1 8 8 GLU C C 8 173.100 173.100 176.068 -2.968 18048 3521 1 14 . 1 1 8 8 GLU CA C 8 52.900 52.900 55.807 -2.907 18048 3522 1 14 . 1 1 8 8 GLU CB C 8 27.600 27.600 31.515 -3.915 18048 3523 1 14 . 1 1 8 8 GLU H H 8 8.270 8.270 8.070 0.200 18048 3524 1 14 . 1 1 9 9 LYS N N 9 123.000 123.000 123.821 -0.821 18048 3525 1 14 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.286 -0.046 18048 3526 1 14 . 1 1 9 9 LYS C C 9 173.700 173.700 175.996 -2.296 18048 3527 1 14 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.743 -3.243 18048 3528 1 14 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.525 -2.425 18048 3529 1 14 . 1 1 9 9 LYS H H 9 8.390 8.390 8.879 -0.489 18048 3530 1 14 . 1 1 10 10 THR N N 10 117.900 117.900 113.689 4.211 18048 3531 1 14 . 1 1 10 10 THR HA H 10 4.450 4.450 4.237 0.213 18048 3532 1 14 . 1 1 10 10 THR C C 10 170.000 170.000 173.299 -3.299 18048 3533 1 14 . 1 1 10 10 THR CA C 10 57.000 57.000 62.496 -5.496 18048 3534 1 14 . 1 1 10 10 THR CB C 10 66.800 66.800 67.741 -0.941 18048 3535 1 14 . 1 1 10 10 THR H H 10 8.140 8.140 7.945 0.195 18048 3536 1 14 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.284 0.026 18048 3537 1 14 . 1 1 11 11 PRO C C 11 173.800 173.800 177.215 -3.415 18048 3538 1 14 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.735 -3.335 18048 3539 1 14 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.029 -2.729 18048 3540 1 14 . 1 1 12 12 LYS N N 12 121.700 121.700 117.399 4.301 18048 3541 1 14 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.135 0.075 18048 3542 1 14 . 1 1 12 12 LYS CA C 12 53.500 53.500 57.499 -3.999 18048 3543 1 14 . 1 1 12 12 LYS CB C 12 30.200 30.200 30.577 -0.377 18048 3544 1 14 . 1 1 12 12 LYS H H 12 8.380 8.380 8.588 -0.208 18048 3545 1 14 . 1 1 13 13 THR N N 13 115.600 115.600 113.417 2.183 18048 3546 1 14 . 1 1 13 13 THR HA H 13 4.360 4.360 4.465 -0.105 18048 3547 1 14 . 1 1 13 13 THR C C 13 169.800 169.800 173.122 -3.322 18048 3548 1 14 . 1 1 13 13 THR CA C 13 55.800 55.800 60.811 -5.011 18048 3549 1 14 . 1 1 13 13 THR CB C 13 67.800 67.800 71.340 -3.540 18048 3550 1 14 . 1 1 13 13 THR H H 13 7.940 7.940 7.843 0.097 18048 3551 1 14 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.446 -0.056 18048 3552 1 14 . 1 1 14 14 PRO C C 14 174.000 174.000 176.686 -2.686 18048 3553 1 14 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.383 -3.083 18048 3554 1 14 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.016 -2.816 18048 3555 1 14 . 1 1 15 15 LYS N N 15 121.700 121.700 117.137 4.563 18048 3556 1 14 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.047 0.163 18048 3557 1 14 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.686 -3.186 18048 3558 1 14 . 1 1 15 15 LYS CB C 15 30.300 30.300 29.683 0.617 18048 3559 1 14 . 1 1 15 15 LYS H H 15 8.360 8.360 8.275 0.085 18048 3560 1 14 . 1 1 16 16 GLY N N 16 110.100 110.100 107.705 2.395 18048 3561 1 14 . 1 1 16 16 GLY C C 16 168.900 168.900 172.613 -3.713 18048 3562 1 14 . 1 1 16 16 GLY CA C 16 41.700 41.700 43.709 -2.009 18048 3563 1 14 . 1 1 16 16 GLY H H 16 8.220 8.220 7.895 0.325 18048 3564 1 14 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.458 -0.078 18048 3565 1 14 . 1 1 17 17 PRO C C 17 174.600 174.600 176.401 -1.801 18048 3566 1 14 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.379 -1.879 18048 3567 1 14 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.555 -3.155 18048 3568 1 14 . 1 1 18 18 SER N N 18 116.500 116.500 112.616 3.884 18048 3569 1 14 . 1 1 18 18 SER HA H 18 4.420 4.420 4.342 0.078 18048 3570 1 14 . 1 1 18 18 SER C C 18 171.300 171.300 174.825 -3.525 18048 3571 1 14 . 1 1 18 18 SER CA C 18 55.900 55.900 58.655 -2.755 18048 3572 1 14 . 1 1 18 18 SER CB C 18 61.400 61.400 63.738 -2.338 18048 3573 1 14 . 1 1 18 18 SER H H 18 8.520 8.520 8.285 0.235 18048 3574 1 14 . 1 1 19 19 SER N N 19 117.700 117.700 115.556 2.144 18048 3575 1 14 . 1 1 19 19 SER HA H 19 4.370 4.370 4.465 -0.095 18048 3576 1 14 . 1 1 19 19 SER C C 19 172.600 172.600 175.820 -3.220 18048 3577 1 14 . 1 1 19 19 SER CA C 19 55.500 55.500 56.546 -1.046 18048 3578 1 14 . 1 1 19 19 SER CB C 19 61.400 61.400 64.176 -2.776 18048 3579 1 14 . 1 1 19 19 SER H H 19 8.490 8.490 7.604 0.886 18048 3580 1 14 . 1 1 20 20 VAL N N 20 120.500 120.500 122.923 -2.423 18048 3581 1 14 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.760 -0.270 18048 3582 1 14 . 1 1 20 20 VAL C C 20 174.300 174.300 177.042 -2.742 18048 3583 1 14 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.092 -1.592 18048 3584 1 14 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.038 -2.138 18048 3585 1 14 . 1 1 20 20 VAL H H 20 8.310 8.310 8.544 -0.234 18048 3586 1 14 . 1 1 21 21 GLU N N 21 118.700 118.700 119.070 -0.370 18048 3587 1 14 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.931 -0.301 18048 3588 1 14 . 1 1 21 21 GLU C C 21 176.300 176.300 179.089 -2.789 18048 3589 1 14 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.517 -2.617 18048 3590 1 14 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.472 -2.572 18048 3591 1 14 . 1 1 21 21 GLU H H 21 8.110 8.110 8.770 -0.660 18048 3592 1 14 . 1 1 22 22 ASP N N 22 120.400 120.400 119.610 0.790 18048 3593 1 14 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.424 -0.164 18048 3594 1 14 . 1 1 22 22 ASP C C 22 175.600 175.600 178.094 -2.494 18048 3595 1 14 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.016 -2.816 18048 3596 1 14 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.677 -2.777 18048 3597 1 14 . 1 1 22 22 ASP H H 22 7.810 7.810 7.701 0.109 18048 3598 1 14 . 1 1 23 23 ILE N N 23 120.900 120.900 120.355 0.545 18048 3599 1 14 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.521 -0.421 18048 3600 1 14 . 1 1 23 23 ILE C C 23 175.100 175.100 178.085 -2.985 18048 3601 1 14 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.788 -2.488 18048 3602 1 14 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.686 -3.386 18048 3603 1 14 . 1 1 23 23 ILE H H 23 7.670 7.670 7.225 0.445 18048 3604 1 14 . 1 1 24 24 LYS N N 24 120.000 120.000 119.354 0.646 18048 3605 1 14 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.773 -0.683 18048 3606 1 14 . 1 1 24 24 LYS C C 24 175.400 175.400 178.684 -3.284 18048 3607 1 14 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.108 -1.708 18048 3608 1 14 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.409 -1.808 18048 3609 1 14 . 1 1 24 24 LYS H H 24 8.060 8.060 8.393 -0.333 18048 3610 1 14 . 1 1 25 25 ALA N N 25 119.000 119.000 121.718 -2.718 18048 3611 1 14 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.017 0.013 18048 3612 1 14 . 1 1 25 25 ALA C C 25 178.700 178.700 180.024 -1.324 18048 3613 1 14 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.243 -2.943 18048 3614 1 14 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.147 -3.447 18048 3615 1 14 . 1 1 25 25 ALA H H 25 7.410 7.410 7.974 -0.564 18048 3616 1 14 . 1 1 26 26 LYS N N 26 120.100 120.100 117.921 2.179 18048 3617 1 14 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.060 -0.010 18048 3618 1 14 . 1 1 26 26 LYS C C 26 177.600 177.600 178.895 -1.295 18048 3619 1 14 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.261 -2.661 18048 3620 1 14 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.304 -2.704 18048 3621 1 14 . 1 1 26 26 LYS H H 26 7.760 7.760 8.296 -0.536 18048 3622 1 14 . 1 1 27 27 MET N N 27 120.900 120.900 119.886 1.014 18048 3623 1 14 . 1 1 27 27 MET HA H 27 4.220 4.220 4.179 0.041 18048 3624 1 14 . 1 1 27 27 MET C C 27 175.900 175.900 178.451 -2.551 18048 3625 1 14 . 1 1 27 27 MET CA C 27 58.000 58.000 58.250 -0.250 18048 3626 1 14 . 1 1 27 27 MET CB C 27 30.600 30.600 31.608 -1.008 18048 3627 1 14 . 1 1 27 27 MET H H 27 8.620 8.620 8.226 0.394 18048 3628 1 14 . 1 1 28 28 GLN N N 28 119.700 119.700 118.522 1.178 18048 3629 1 14 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.132 -0.092 18048 3630 1 14 . 1 1 28 28 GLN C C 28 175.500 175.500 178.274 -2.774 18048 3631 1 14 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.954 -2.254 18048 3632 1 14 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.929 -2.229 18048 3633 1 14 . 1 1 28 28 GLN H H 28 8.970 8.970 8.531 0.439 18048 3634 1 14 . 1 1 29 29 ALA N N 29 120.900 120.900 122.193 -1.293 18048 3635 1 14 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.279 -0.119 18048 3636 1 14 . 1 1 29 29 ALA C C 29 177.500 177.500 179.879 -2.379 18048 3637 1 14 . 1 1 29 29 ALA CA C 29 52.100 52.100 54.880 -2.780 18048 3638 1 14 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.301 -3.501 18048 3639 1 14 . 1 1 29 29 ALA H H 29 7.940 7.940 8.373 -0.433 18048 3640 1 14 . 1 1 30 30 SER N N 30 112.900 112.900 115.348 -2.448 18048 3641 1 14 . 1 1 30 30 SER HA H 30 4.180 4.180 4.197 -0.017 18048 3642 1 14 . 1 1 30 30 SER CA C 30 58.900 58.900 62.636 -3.736 18048 3643 1 14 . 1 1 30 30 SER CB C 30 60.000 60.000 63.037 -3.037 18048 3644 1 14 . 1 1 30 30 SER H H 30 7.780 7.780 8.136 -0.356 18048 3645 1 14 . 1 1 31 31 ILE N N 31 122.000 122.000 122.083 -0.083 18048 3646 1 14 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.781 0.069 18048 3647 1 14 . 1 1 31 31 ILE C C 31 173.900 173.900 177.946 -4.046 18048 3648 1 14 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.621 -4.121 18048 3649 1 14 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.941 -3.041 18048 3650 1 14 . 1 1 31 31 ILE H H 31 7.940 7.940 8.268 -0.328 18048 3651 1 14 . 1 1 32 32 GLU N N 32 121.800 121.800 119.933 1.867 18048 3652 1 14 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.096 -0.066 18048 3653 1 14 . 1 1 32 32 GLU C C 32 175.200 175.200 178.786 -3.586 18048 3654 1 14 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.717 -2.417 18048 3655 1 14 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.133 -2.633 18048 3656 1 14 . 1 1 32 32 GLU H H 32 8.140 8.140 8.224 -0.084 18048 3657 1 14 . 1 1 33 33 LYS N N 33 116.200 116.200 117.274 -1.074 18048 3658 1 14 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.218 0.163 18048 3659 1 14 . 1 1 33 33 LYS C C 33 173.800 173.800 177.292 -3.492 18048 3660 1 14 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.450 -3.550 18048 3661 1 14 . 1 1 33 33 LYS CB C 33 29.500 29.500 32.549 -3.049 18048 3662 1 14 . 1 1 33 33 LYS H H 33 7.350 7.350 8.403 -1.053 18048 3663 1 14 . 1 1 34 34 GLY N N 34 107.400 107.400 103.898 3.502 18048 3664 1 14 . 1 1 34 34 GLY C C 34 172.400 172.400 174.685 -2.285 18048 3665 1 14 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.775 -2.175 18048 3666 1 14 . 1 1 34 34 GLY H H 34 7.830 7.830 7.635 0.195 18048 3667 1 14 . 1 1 35 35 GLY N N 35 109.200 109.200 110.891 -1.691 18048 3668 1 14 . 1 1 35 35 GLY C C 35 169.500 169.500 175.249 -5.749 18048 3669 1 14 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.493 -3.893 18048 3670 1 14 . 1 1 35 35 GLY H H 35 8.330 8.330 8.387 -0.057 18048 3671 1 14 . 1 1 36 36 SER N N 36 112.700 112.700 116.020 -3.320 18048 3672 1 14 . 1 1 36 36 SER HA H 36 4.610 4.610 4.378 0.232 18048 3673 1 14 . 1 1 36 36 SER C C 36 171.000 171.000 173.915 -2.915 18048 3674 1 14 . 1 1 36 36 SER CA C 36 54.000 54.000 58.741 -4.741 18048 3675 1 14 . 1 1 36 36 SER CB C 36 62.300 62.300 61.794 0.506 18048 3676 1 14 . 1 1 36 36 SER H H 36 8.150 8.150 8.313 -0.163 18048 3677 1 14 . 1 1 37 37 LEU N N 37 122.700 122.700 124.700 -2.000 18048 3678 1 14 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.709 -0.549 18048 3679 1 14 . 1 1 37 37 LEU C C 37 173.600 173.600 174.510 -0.910 18048 3680 1 14 . 1 1 37 37 LEU CA C 37 53.400 53.400 51.675 1.725 18048 3681 1 14 . 1 1 37 37 LEU CB C 37 40.500 40.500 42.535 -2.035 18048 3682 1 14 . 1 1 37 37 LEU H H 37 8.380 8.380 7.565 0.815 18048 3683 1 14 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.494 -0.224 18048 3684 1 14 . 1 1 38 38 PRO C C 38 174.400 174.400 175.871 -1.471 18048 3685 1 14 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.588 -1.188 18048 3686 1 14 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.510 -2.710 18048 3687 1 14 . 1 1 39 39 LYS N N 39 122.300 122.300 120.025 2.275 18048 3688 1 14 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.480 -0.100 18048 3689 1 14 . 1 1 39 39 LYS C C 39 172.300 172.300 175.558 -3.258 18048 3690 1 14 . 1 1 39 39 LYS CA C 39 53.700 53.700 55.892 -2.192 18048 3691 1 14 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.062 -1.762 18048 3692 1 14 . 1 1 39 39 LYS H H 39 8.920 8.920 8.152 0.768 18048 3693 1 14 . 1 1 40 40 VAL N N 40 118.500 118.500 122.889 -4.389 18048 3694 1 14 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.429 -0.149 18048 3695 1 14 . 1 1 40 40 VAL C C 40 173.600 173.600 175.779 -2.179 18048 3696 1 14 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.558 -2.458 18048 3697 1 14 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.917 -3.517 18048 3698 1 14 . 1 1 40 40 VAL H H 40 7.000 7.000 7.699 -0.699 18048 3699 1 14 . 1 1 41 41 GLU N N 41 131.800 131.800 128.275 3.525 18048 3700 1 14 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.904 0.046 18048 3701 1 14 . 1 1 41 41 GLU C C 41 174.700 174.700 177.631 -2.931 18048 3702 1 14 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.418 -1.718 18048 3703 1 14 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.346 -2.246 18048 3704 1 14 . 1 1 41 41 GLU H H 41 8.820 8.820 9.076 -0.256 18048 3705 1 14 . 1 1 42 42 ALA N N 42 117.700 117.700 123.011 -5.311 18048 3706 1 14 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.063 -0.273 18048 3707 1 14 . 1 1 42 42 ALA C C 42 178.000 178.000 179.994 -1.994 18048 3708 1 14 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.997 -2.097 18048 3709 1 14 . 1 1 42 42 ALA CB C 42 15.400 15.400 17.983 -2.583 18048 3710 1 14 . 1 1 42 42 ALA H H 42 8.630 8.630 8.394 0.236 18048 3711 1 14 . 1 1 43 43 LYS N N 43 113.500 113.500 119.153 -5.653 18048 3712 1 14 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.048 0.042 18048 3713 1 14 . 1 1 43 43 LYS C C 43 176.600 176.600 179.029 -2.429 18048 3714 1 14 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.788 -3.588 18048 3715 1 14 . 1 1 43 43 LYS CB C 43 30.000 30.000 31.972 -1.972 18048 3716 1 14 . 1 1 43 43 LYS H H 43 6.530 6.530 7.806 -1.276 18048 3717 1 14 . 1 1 44 44 PHE N N 44 123.600 123.600 121.268 2.332 18048 3718 1 14 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.154 -0.214 18048 3719 1 14 . 1 1 44 44 PHE C C 44 173.300 173.300 177.154 -3.854 18048 3720 1 14 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.428 -1.128 18048 3721 1 14 . 1 1 44 44 PHE CB C 44 36.700 36.700 38.936 -2.236 18048 3722 1 14 . 1 1 44 44 PHE H H 44 8.610 8.610 8.121 0.489 18048 3723 1 14 . 1 1 45 45 ILE N N 45 119.600 119.600 119.117 0.483 18048 3724 1 14 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.262 0.108 18048 3725 1 14 . 1 1 45 45 ILE C C 45 174.700 174.700 177.452 -2.752 18048 3726 1 14 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.706 -2.206 18048 3727 1 14 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.468 -2.468 18048 3728 1 14 . 1 1 45 45 ILE H H 45 8.690 8.690 8.543 0.147 18048 3729 1 14 . 1 1 46 46 ASN N N 46 115.900 115.900 118.297 -2.397 18048 3730 1 14 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.256 -0.006 18048 3731 1 14 . 1 1 46 46 ASN C C 46 173.800 173.800 177.395 -3.595 18048 3732 1 14 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.466 -2.666 18048 3733 1 14 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.405 -2.805 18048 3734 1 14 . 1 1 46 46 ASN H H 46 7.320 7.320 8.052 -0.732 18048 3735 1 14 . 1 1 47 47 TYR N N 47 120.900 120.900 120.269 0.631 18048 3736 1 14 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.307 -0.017 18048 3737 1 14 . 1 1 47 47 TYR C C 47 174.400 174.400 177.804 -3.404 18048 3738 1 14 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.381 -3.181 18048 3739 1 14 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.950 -3.150 18048 3740 1 14 . 1 1 47 47 TYR H H 47 7.840 7.840 7.989 -0.149 18048 3741 1 14 . 1 1 48 48 VAL N N 48 117.800 117.800 120.190 -2.390 18048 3742 1 14 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.361 0.109 18048 3743 1 14 . 1 1 48 48 VAL C C 48 176.300 176.300 177.756 -1.456 18048 3744 1 14 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.627 -2.827 18048 3745 1 14 . 1 1 48 48 VAL CB C 48 28.400 28.400 30.817 -2.417 18048 3746 1 14 . 1 1 48 48 VAL H H 48 8.260 8.260 8.326 -0.066 18048 3747 1 14 . 1 1 49 49 LYS N N 49 119.700 119.700 119.254 0.446 18048 3748 1 14 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.967 -0.017 18048 3749 1 14 . 1 1 49 49 LYS C C 49 176.400 176.400 178.904 -2.504 18048 3750 1 14 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.637 -2.037 18048 3751 1 14 . 1 1 49 49 LYS CB C 49 29.900 29.900 31.930 -2.030 18048 3752 1 14 . 1 1 49 49 LYS H H 49 8.070 8.070 8.154 -0.084 18048 3753 1 14 . 1 1 50 50 ASN N N 50 115.600 115.600 118.640 -3.040 18048 3754 1 14 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.457 -0.107 18048 3755 1 14 . 1 1 50 50 ASN C C 50 174.100 174.100 177.434 -3.334 18048 3756 1 14 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.838 -2.838 18048 3757 1 14 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.380 -2.080 18048 3758 1 14 . 1 1 50 50 ASN H H 50 8.080 8.080 7.725 0.355 18048 3759 1 14 . 1 1 51 51 CYS N N 51 115.800 115.800 117.196 -1.396 18048 3760 1 14 . 1 1 51 51 CYS C C 51 172.800 172.800 174.157 -1.357 18048 3761 1 14 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.522 -3.721 18048 3762 1 14 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.110 -3.909 18048 3763 1 14 . 1 1 51 51 CYS H H 51 8.480 8.480 7.755 0.726 18048 3764 1 14 . 1 1 52 52 PHE N N 52 112.700 112.700 116.737 -4.037 18048 3765 1 14 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.630 -0.010 18048 3766 1 14 . 1 1 52 52 PHE C C 52 171.900 171.900 174.049 -2.149 18048 3767 1 14 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.812 -2.212 18048 3768 1 14 . 1 1 52 52 PHE CB C 52 36.900 36.900 42.143 -5.243 18048 3769 1 14 . 1 1 52 52 PHE H H 52 7.230 7.230 8.048 -0.818 18048 3770 1 14 . 1 1 53 53 ARG N N 53 114.500 114.500 123.823 -9.323 18048 3771 1 14 . 1 1 53 53 ARG C C 53 172.000 172.000 174.654 -2.654 18048 3772 1 14 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.336 -1.436 18048 3773 1 14 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.230 -3.730 18048 3774 1 14 . 1 1 53 53 ARG H H 53 7.200 7.200 6.975 0.225 18048 3775 1 14 . 1 1 54 54 MET N N 54 116.800 116.800 119.811 -3.011 18048 3776 1 14 . 1 1 54 54 MET HA H 54 4.430 4.430 4.818 -0.388 18048 3777 1 14 . 1 1 54 54 MET C C 54 172.600 172.600 175.231 -2.631 18048 3778 1 14 . 1 1 54 54 MET CA C 54 52.800 52.800 55.135 -2.335 18048 3779 1 14 . 1 1 54 54 MET CB C 54 31.500 31.500 36.696 -5.196 18048 3780 1 14 . 1 1 54 54 MET H H 54 6.770 6.770 7.688 -0.918 18048 3781 1 14 . 1 1 55 55 THR N N 55 110.800 110.800 112.969 -2.169 18048 3782 1 14 . 1 1 55 55 THR HA H 55 4.280 4.280 4.516 -0.236 18048 3783 1 14 . 1 1 55 55 THR C C 55 171.800 171.800 173.832 -2.032 18048 3784 1 14 . 1 1 55 55 THR CA C 55 58.400 58.400 60.444 -2.044 18048 3785 1 14 . 1 1 55 55 THR CB C 55 67.400 67.400 69.266 -1.866 18048 3786 1 14 . 1 1 55 55 THR H H 55 8.480 8.480 8.468 0.012 18048 3787 1 14 . 1 1 56 56 ASP N N 56 123.800 123.800 124.568 -0.768 18048 3788 1 14 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.544 -0.064 18048 3789 1 14 . 1 1 56 56 ASP C C 56 173.200 173.200 176.842 -3.642 18048 3790 1 14 . 1 1 56 56 ASP CA C 56 51.600 51.600 55.200 -3.600 18048 3791 1 14 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.556 -1.456 18048 3792 1 14 . 1 1 56 56 ASP H H 56 7.450 7.450 8.268 -0.818 18048 3793 1 14 . 1 1 57 57 GLN N N 57 126.600 126.600 124.542 2.058 18048 3794 1 14 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.061 -0.261 18048 3795 1 14 . 1 1 57 57 GLN C C 57 175.400 175.400 177.842 -2.442 18048 3796 1 14 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.961 -2.361 18048 3797 1 14 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.686 -3.086 18048 3798 1 14 . 1 1 57 57 GLN H H 57 8.880 8.880 8.817 0.063 18048 3799 1 14 . 1 1 58 58 GLU N N 58 119.400 119.400 118.519 0.881 18048 3800 1 14 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.135 -0.155 18048 3801 1 14 . 1 1 58 58 GLU C C 58 175.900 175.900 178.149 -2.249 18048 3802 1 14 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.098 -2.198 18048 3803 1 14 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.928 -2.628 18048 3804 1 14 . 1 1 58 58 GLU H H 58 8.220 8.220 8.875 -0.655 18048 3805 1 14 . 1 1 59 59 ALA N N 59 123.300 123.300 121.989 1.311 18048 3806 1 14 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.287 -0.187 18048 3807 1 14 . 1 1 59 59 ALA C C 59 177.400 177.400 179.642 -2.242 18048 3808 1 14 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.421 -2.521 18048 3809 1 14 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.705 -2.805 18048 3810 1 14 . 1 1 59 59 ALA H H 59 7.710 7.710 7.698 0.012 18048 3811 1 14 . 1 1 60 60 ILE N N 60 117.300 117.300 120.132 -2.832 18048 3812 1 14 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.636 -0.136 18048 3813 1 14 . 1 1 60 60 ILE C C 60 175.100 175.100 178.239 -3.139 18048 3814 1 14 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.581 -1.781 18048 3815 1 14 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.032 -3.232 18048 3816 1 14 . 1 1 60 60 ILE H H 60 8.130 8.130 8.573 -0.443 18048 3817 1 14 . 1 1 61 61 GLN N N 61 118.800 118.800 118.653 0.147 18048 3818 1 14 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.387 -0.207 18048 3819 1 14 . 1 1 61 61 GLN C C 61 175.900 175.900 178.161 -2.261 18048 3820 1 14 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.829 -2.529 18048 3821 1 14 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.963 -2.963 18048 3822 1 14 . 1 1 61 61 GLN H H 61 8.000 8.000 8.506 -0.506 18048 3823 1 14 . 1 1 62 62 ASP N N 62 121.000 121.000 121.760 -0.760 18048 3824 1 14 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.548 -0.158 18048 3825 1 14 . 1 1 62 62 ASP C C 62 177.200 177.200 178.589 -1.389 18048 3826 1 14 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.104 -2.104 18048 3827 1 14 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.999 -3.099 18048 3828 1 14 . 1 1 62 62 ASP H H 62 8.020 8.020 7.828 0.192 18048 3829 1 14 . 1 1 63 63 LEU N N 63 120.700 120.700 120.731 -0.031 18048 3830 1 14 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.291 -0.091 18048 3831 1 14 . 1 1 63 63 LEU C C 63 175.600 175.600 179.408 -3.808 18048 3832 1 14 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.011 -2.611 18048 3833 1 14 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.467 -2.067 18048 3834 1 14 . 1 1 63 63 LEU H H 63 8.220 8.220 8.422 -0.202 18048 3835 1 14 . 1 1 64 64 TRP N N 64 122.400 122.400 120.399 2.001 18048 3836 1 14 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.313 -0.283 18048 3837 1 14 . 1 1 64 64 TRP C C 64 173.500 173.500 179.289 -5.789 18048 3838 1 14 . 1 1 64 64 TRP CA C 64 56.200 56.200 59.798 -3.598 18048 3839 1 14 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.083 -2.283 18048 3840 1 14 . 1 1 64 64 TRP H H 64 8.890 8.890 8.458 0.432 18048 3841 1 14 . 1 1 65 65 GLN N N 65 116.700 116.700 118.774 -2.074 18048 3842 1 14 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.036 -0.746 18048 3843 1 14 . 1 1 65 65 GLN C C 65 176.200 176.200 178.253 -2.053 18048 3844 1 14 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.327 -2.427 18048 3845 1 14 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.930 -3.230 18048 3846 1 14 . 1 1 65 65 GLN H H 65 8.310 8.310 8.331 -0.021 18048 3847 1 14 . 1 1 66 66 TRP N N 66 119.500 119.500 119.339 0.161 18048 3848 1 14 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.580 -0.570 18048 3849 1 14 . 1 1 66 66 TRP C C 66 175.100 175.100 176.489 -1.389 18048 3850 1 14 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.000 -0.900 18048 3851 1 14 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.818 -5.218 18048 3852 1 14 . 1 1 66 66 TRP H H 66 7.750 7.750 8.219 -0.469 18048 3853 1 14 . 1 1 67 67 ARG N N 67 122.300 122.300 115.384 6.916 18048 3854 1 14 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.507 -0.457 18048 3855 1 14 . 1 1 67 67 ARG C C 67 177.800 177.800 176.371 1.429 18048 3856 1 14 . 1 1 67 67 ARG CA C 67 56.500 56.500 55.035 1.466 18048 3857 1 14 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.597 -5.297 18048 3858 1 14 . 1 1 67 67 ARG H H 67 8.640 8.640 7.635 1.005 18048 3859 1 14 . 1 1 68 68 LYS N N 68 118.400 118.400 120.045 -1.645 18048 3860 1 14 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.266 -0.876 18048 3861 1 14 . 1 1 68 68 LYS C C 68 173.800 173.800 176.338 -2.538 18048 3862 1 14 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.780 -2.280 18048 3863 1 14 . 1 1 68 68 LYS CB C 68 28.000 28.000 34.270 -6.270 18048 3864 1 14 . 1 1 68 68 LYS H H 68 7.860 7.860 7.776 0.084 18048 3865 1 14 . 1 1 69 69 SER N N 69 114.500 114.500 114.004 0.496 18048 3866 1 14 . 1 1 69 69 SER HA H 69 4.200 4.200 4.599 -0.399 18048 3867 1 14 . 1 1 69 69 SER C C 69 170.300 170.300 172.387 -2.087 18048 3868 1 14 . 1 1 69 69 SER CA C 69 55.700 55.700 57.945 -2.245 18048 3869 1 14 . 1 1 69 69 SER CB C 69 61.500 61.500 65.352 -3.852 18048 3870 1 14 . 1 1 69 69 SER H H 69 7.060 7.060 7.968 -0.908 18048 3871 1 15 . 1 1 2 2 GLU N N 2 122.400 122.400 120.869 1.531 18048 3872 1 15 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.425 -0.295 18048 3873 1 15 . 1 1 2 2 GLU C C 2 173.800 173.800 175.910 -2.110 18048 3874 1 15 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.956 -2.857 18048 3875 1 15 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.279 -2.979 18048 3876 1 15 . 1 1 2 2 GLU H H 2 8.490 8.490 8.905 -0.415 18048 3877 1 15 . 1 1 3 3 SER N N 3 116.300 116.300 112.394 3.906 18048 3878 1 15 . 1 1 3 3 SER HA H 3 4.240 4.240 4.610 -0.370 18048 3879 1 15 . 1 1 3 3 SER C C 3 171.500 171.500 174.237 -2.737 18048 3880 1 15 . 1 1 3 3 SER CA C 3 55.800 55.800 57.333 -1.533 18048 3881 1 15 . 1 1 3 3 SER CB C 3 60.900 60.900 65.122 -4.222 18048 3882 1 15 . 1 1 3 3 SER H H 3 8.210 8.210 7.408 0.802 18048 3883 1 15 . 1 1 4 4 PHE N N 4 121.700 121.700 121.597 0.103 18048 3884 1 15 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.317 0.163 18048 3885 1 15 . 1 1 4 4 PHE C C 4 172.800 172.800 175.999 -3.199 18048 3886 1 15 . 1 1 4 4 PHE CA C 4 55.000 55.000 60.533 -5.533 18048 3887 1 15 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.483 -2.983 18048 3888 1 15 . 1 1 4 4 PHE H H 4 8.040 8.040 8.665 -0.625 18048 3889 1 15 . 1 1 5 5 LYS N N 5 122.600 122.600 116.097 6.503 18048 3890 1 15 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.184 -0.064 18048 3891 1 15 . 1 1 5 5 LYS C C 5 173.400 173.400 176.533 -3.133 18048 3892 1 15 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.916 -3.517 18048 3893 1 15 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.633 -3.533 18048 3894 1 15 . 1 1 5 5 LYS H H 5 7.990 7.990 7.864 0.126 18048 3895 1 15 . 1 1 6 6 LYS N N 6 122.800 122.800 117.880 4.920 18048 3896 1 15 . 1 1 6 6 LYS C C 6 173.700 173.700 175.413 -1.713 18048 3897 1 15 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.280 -2.580 18048 3898 1 15 . 1 1 6 6 LYS H H 6 8.160 8.160 8.460 -0.300 18048 3899 1 15 . 1 1 7 7 GLN N N 7 120.800 120.800 118.550 2.250 18048 3900 1 15 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.094 0.436 18048 3901 1 15 . 1 1 7 7 GLN C C 7 173.600 173.600 175.641 -2.041 18048 3902 1 15 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.363 -2.663 18048 3903 1 15 . 1 1 7 7 GLN CB C 7 27.300 27.300 27.605 -0.305 18048 3904 1 15 . 1 1 7 7 GLN H H 7 8.240 8.240 8.460 -0.220 18048 3905 1 15 . 1 1 8 8 GLU N N 8 121.400 121.400 116.661 4.739 18048 3906 1 15 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.132 0.068 18048 3907 1 15 . 1 1 8 8 GLU C C 8 173.100 173.100 176.162 -3.062 18048 3908 1 15 . 1 1 8 8 GLU CA C 8 52.900 52.900 57.204 -4.304 18048 3909 1 15 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.116 -2.515 18048 3910 1 15 . 1 1 8 8 GLU H H 8 8.270 8.270 8.547 -0.277 18048 3911 1 15 . 1 1 9 9 LYS N N 9 123.000 123.000 119.518 3.482 18048 3912 1 15 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.514 -0.274 18048 3913 1 15 . 1 1 9 9 LYS C C 9 173.700 173.700 175.282 -1.582 18048 3914 1 15 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.867 -2.368 18048 3915 1 15 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.864 -3.764 18048 3916 1 15 . 1 1 9 9 LYS H H 9 8.390 8.390 7.550 0.840 18048 3917 1 15 . 1 1 10 10 THR N N 10 117.900 117.900 112.306 5.594 18048 3918 1 15 . 1 1 10 10 THR HA H 10 4.450 4.450 4.802 -0.352 18048 3919 1 15 . 1 1 10 10 THR C C 10 170.000 170.000 173.835 -3.835 18048 3920 1 15 . 1 1 10 10 THR CA C 10 57.000 57.000 59.029 -2.029 18048 3921 1 15 . 1 1 10 10 THR CB C 10 66.800 66.800 69.802 -3.002 18048 3922 1 15 . 1 1 10 10 THR H H 10 8.140 8.140 8.356 -0.216 18048 3923 1 15 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.688 -0.378 18048 3924 1 15 . 1 1 11 11 PRO C C 11 173.800 173.800 175.660 -1.860 18048 3925 1 15 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.884 -2.484 18048 3926 1 15 . 1 1 11 11 PRO CB C 11 29.300 29.300 30.688 -1.387 18048 3927 1 15 . 1 1 12 12 LYS N N 12 121.700 121.700 122.312 -0.612 18048 3928 1 15 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.575 -0.365 18048 3929 1 15 . 1 1 12 12 LYS CA C 12 53.500 53.500 55.940 -2.440 18048 3930 1 15 . 1 1 12 12 LYS CB C 12 30.200 30.200 35.208 -5.008 18048 3931 1 15 . 1 1 12 12 LYS H H 12 8.380 8.380 8.051 0.329 18048 3932 1 15 . 1 1 13 13 THR N N 13 115.600 115.600 116.288 -0.688 18048 3933 1 15 . 1 1 13 13 THR HA H 13 4.360 4.360 4.715 -0.355 18048 3934 1 15 . 1 1 13 13 THR C C 13 169.800 169.800 172.975 -3.175 18048 3935 1 15 . 1 1 13 13 THR CA C 13 55.800 55.800 60.275 -4.475 18048 3936 1 15 . 1 1 13 13 THR CB C 13 67.800 67.800 68.156 -0.356 18048 3937 1 15 . 1 1 13 13 THR H H 13 7.940 7.940 8.411 -0.471 18048 3938 1 15 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.535 -0.145 18048 3939 1 15 . 1 1 14 14 PRO C C 14 174.000 174.000 175.955 -1.955 18048 3940 1 15 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.372 -2.072 18048 3941 1 15 . 1 1 14 14 PRO CB C 14 29.200 29.200 30.680 -1.480 18048 3942 1 15 . 1 1 15 15 LYS N N 15 121.700 121.700 122.431 -0.731 18048 3943 1 15 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.387 -0.177 18048 3944 1 15 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.746 -2.246 18048 3945 1 15 . 1 1 15 15 LYS CB C 15 30.300 30.300 32.850 -2.550 18048 3946 1 15 . 1 1 15 15 LYS H H 15 8.360 8.360 7.999 0.361 18048 3947 1 15 . 1 1 16 16 GLY N N 16 110.100 110.100 110.353 -0.253 18048 3948 1 15 . 1 1 16 16 GLY C C 16 168.900 168.900 173.210 -4.310 18048 3949 1 15 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.272 -2.572 18048 3950 1 15 . 1 1 16 16 GLY H H 16 8.220 8.220 8.371 -0.151 18048 3951 1 15 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.349 0.030 18048 3952 1 15 . 1 1 17 17 PRO C C 17 174.600 174.600 176.323 -1.723 18048 3953 1 15 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.702 -2.202 18048 3954 1 15 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.447 -3.047 18048 3955 1 15 . 1 1 18 18 SER N N 18 116.500 116.500 112.615 3.885 18048 3956 1 15 . 1 1 18 18 SER HA H 18 4.420 4.420 4.319 0.101 18048 3957 1 15 . 1 1 18 18 SER C C 18 171.300 171.300 174.559 -3.259 18048 3958 1 15 . 1 1 18 18 SER CA C 18 55.900 55.900 59.023 -3.123 18048 3959 1 15 . 1 1 18 18 SER CB C 18 61.400 61.400 63.315 -1.915 18048 3960 1 15 . 1 1 18 18 SER H H 18 8.520 8.520 8.187 0.333 18048 3961 1 15 . 1 1 19 19 SER N N 19 117.700 117.700 114.737 2.963 18048 3962 1 15 . 1 1 19 19 SER HA H 19 4.370 4.370 4.624 -0.254 18048 3963 1 15 . 1 1 19 19 SER C C 19 172.600 172.600 174.637 -2.037 18048 3964 1 15 . 1 1 19 19 SER CA C 19 55.500 55.500 56.489 -0.989 18048 3965 1 15 . 1 1 19 19 SER CB C 19 61.400 61.400 64.026 -2.626 18048 3966 1 15 . 1 1 19 19 SER H H 19 8.490 8.490 7.267 1.223 18048 3967 1 15 . 1 1 20 20 VAL N N 20 120.500 120.500 123.258 -2.758 18048 3968 1 15 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.784 -0.294 18048 3969 1 15 . 1 1 20 20 VAL C C 20 174.300 174.300 177.102 -2.802 18048 3970 1 15 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.499 -1.999 18048 3971 1 15 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.005 -2.105 18048 3972 1 15 . 1 1 20 20 VAL H H 20 8.310 8.310 8.648 -0.338 18048 3973 1 15 . 1 1 21 21 GLU N N 21 118.700 118.700 119.152 -0.452 18048 3974 1 15 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.880 -0.250 18048 3975 1 15 . 1 1 21 21 GLU C C 21 176.300 176.300 179.015 -2.715 18048 3976 1 15 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.725 -2.825 18048 3977 1 15 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.715 -2.816 18048 3978 1 15 . 1 1 21 21 GLU H H 21 8.110 8.110 8.597 -0.487 18048 3979 1 15 . 1 1 22 22 ASP N N 22 120.400 120.400 119.621 0.779 18048 3980 1 15 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.304 -0.044 18048 3981 1 15 . 1 1 22 22 ASP C C 22 175.600 175.600 178.156 -2.556 18048 3982 1 15 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.248 -3.048 18048 3983 1 15 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.544 -2.644 18048 3984 1 15 . 1 1 22 22 ASP H H 22 7.810 7.810 8.093 -0.283 18048 3985 1 15 . 1 1 23 23 ILE N N 23 120.900 120.900 120.220 0.680 18048 3986 1 15 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.818 -0.718 18048 3987 1 15 . 1 1 23 23 ILE C C 23 175.100 175.100 177.646 -2.546 18048 3988 1 15 . 1 1 23 23 ILE CA C 23 62.300 62.300 63.777 -1.477 18048 3989 1 15 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.981 -3.681 18048 3990 1 15 . 1 1 23 23 ILE H H 23 7.670 7.670 7.599 0.071 18048 3991 1 15 . 1 1 24 24 LYS N N 24 120.000 120.000 120.133 -0.133 18048 3992 1 15 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.871 -0.781 18048 3993 1 15 . 1 1 24 24 LYS C C 24 175.400 175.400 178.975 -3.575 18048 3994 1 15 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.597 -2.197 18048 3995 1 15 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.729 -2.129 18048 3996 1 15 . 1 1 24 24 LYS H H 24 8.060 8.060 8.249 -0.189 18048 3997 1 15 . 1 1 25 25 ALA N N 25 119.000 119.000 121.339 -2.339 18048 3998 1 15 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.090 -0.060 18048 3999 1 15 . 1 1 25 25 ALA C C 25 178.700 178.700 180.010 -1.310 18048 4000 1 15 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.225 -2.925 18048 4001 1 15 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.275 -3.575 18048 4002 1 15 . 1 1 25 25 ALA H H 25 7.410 7.410 8.181 -0.771 18048 4003 1 15 . 1 1 26 26 LYS N N 26 120.100 120.100 118.571 1.529 18048 4004 1 15 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.136 -0.086 18048 4005 1 15 . 1 1 26 26 LYS C C 26 177.600 177.600 179.185 -1.585 18048 4006 1 15 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.230 -2.630 18048 4007 1 15 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.413 -2.813 18048 4008 1 15 . 1 1 26 26 LYS H H 26 7.760 7.760 8.243 -0.483 18048 4009 1 15 . 1 1 27 27 MET N N 27 120.900 120.900 120.225 0.675 18048 4010 1 15 . 1 1 27 27 MET HA H 27 4.220 4.220 4.285 -0.065 18048 4011 1 15 . 1 1 27 27 MET C C 27 175.900 175.900 178.594 -2.694 18048 4012 1 15 . 1 1 27 27 MET CA C 27 58.000 58.000 59.358 -1.358 18048 4013 1 15 . 1 1 27 27 MET CB C 27 30.600 30.600 32.804 -2.204 18048 4014 1 15 . 1 1 27 27 MET H H 27 8.620 8.620 8.484 0.136 18048 4015 1 15 . 1 1 28 28 GLN N N 28 119.700 119.700 118.428 1.272 18048 4016 1 15 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.101 -0.061 18048 4017 1 15 . 1 1 28 28 GLN C C 28 175.500 175.500 178.396 -2.896 18048 4018 1 15 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.383 -1.683 18048 4019 1 15 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.660 -1.960 18048 4020 1 15 . 1 1 28 28 GLN H H 28 8.970 8.970 8.303 0.667 18048 4021 1 15 . 1 1 29 29 ALA N N 29 120.900 120.900 123.117 -2.217 18048 4022 1 15 . 1 1 29 29 ALA HA H 29 4.160 4.160 3.979 0.181 18048 4023 1 15 . 1 1 29 29 ALA C C 29 177.500 177.500 179.671 -2.171 18048 4024 1 15 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.369 -3.269 18048 4025 1 15 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.130 -3.330 18048 4026 1 15 . 1 1 29 29 ALA H H 29 7.940 7.940 8.515 -0.575 18048 4027 1 15 . 1 1 30 30 SER N N 30 112.900 112.900 114.760 -1.860 18048 4028 1 15 . 1 1 30 30 SER HA H 30 4.180 4.180 4.252 -0.072 18048 4029 1 15 . 1 1 30 30 SER CA C 30 58.900 58.900 62.538 -3.638 18048 4030 1 15 . 1 1 30 30 SER CB C 30 60.000 60.000 63.242 -3.242 18048 4031 1 15 . 1 1 30 30 SER H H 30 7.780 7.780 7.994 -0.214 18048 4032 1 15 . 1 1 31 31 ILE N N 31 122.000 122.000 121.574 0.426 18048 4033 1 15 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.885 -0.035 18048 4034 1 15 . 1 1 31 31 ILE C C 31 173.900 173.900 177.376 -3.476 18048 4035 1 15 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.610 -2.110 18048 4036 1 15 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.219 -3.319 18048 4037 1 15 . 1 1 31 31 ILE H H 31 7.940 7.940 8.327 -0.387 18048 4038 1 15 . 1 1 32 32 GLU N N 32 121.800 121.800 118.003 3.797 18048 4039 1 15 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.265 -0.235 18048 4040 1 15 . 1 1 32 32 GLU C C 32 175.200 175.200 178.097 -2.897 18048 4041 1 15 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.315 -2.015 18048 4042 1 15 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.119 -3.619 18048 4043 1 15 . 1 1 32 32 GLU H H 32 8.140 8.140 8.587 -0.447 18048 4044 1 15 . 1 1 33 33 LYS N N 33 116.200 116.200 117.732 -1.532 18048 4045 1 15 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.479 -0.099 18048 4046 1 15 . 1 1 33 33 LYS C C 33 173.800 173.800 178.055 -4.255 18048 4047 1 15 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.567 -3.667 18048 4048 1 15 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.963 -4.463 18048 4049 1 15 . 1 1 33 33 LYS H H 33 7.350 7.350 7.760 -0.410 18048 4050 1 15 . 1 1 34 34 GLY N N 34 107.400 107.400 106.442 0.958 18048 4051 1 15 . 1 1 34 34 GLY C C 34 172.400 172.400 175.495 -3.095 18048 4052 1 15 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.397 -2.797 18048 4053 1 15 . 1 1 34 34 GLY H H 34 7.830 7.830 8.406 -0.576 18048 4054 1 15 . 1 1 35 35 GLY N N 35 109.200 109.200 109.024 0.176 18048 4055 1 15 . 1 1 35 35 GLY C C 35 169.500 169.500 173.895 -4.395 18048 4056 1 15 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.899 -3.299 18048 4057 1 15 . 1 1 35 35 GLY H H 35 8.330 8.330 8.068 0.262 18048 4058 1 15 . 1 1 36 36 SER N N 36 112.700 112.700 114.283 -1.583 18048 4059 1 15 . 1 1 36 36 SER HA H 36 4.610 4.610 4.701 -0.091 18048 4060 1 15 . 1 1 36 36 SER C C 36 171.000 171.000 172.431 -1.431 18048 4061 1 15 . 1 1 36 36 SER CA C 36 54.000 54.000 57.581 -3.580 18048 4062 1 15 . 1 1 36 36 SER CB C 36 62.300 62.300 65.632 -3.332 18048 4063 1 15 . 1 1 36 36 SER H H 36 8.150 8.150 7.768 0.382 18048 4064 1 15 . 1 1 37 37 LEU N N 37 122.700 122.700 121.958 0.742 18048 4065 1 15 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.520 -0.360 18048 4066 1 15 . 1 1 37 37 LEU C C 37 173.600 173.600 174.399 -0.799 18048 4067 1 15 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.318 1.082 18048 4068 1 15 . 1 1 37 37 LEU CB C 37 40.500 40.500 44.659 -4.159 18048 4069 1 15 . 1 1 37 37 LEU H H 37 8.380 8.380 8.271 0.109 18048 4070 1 15 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.778 -0.508 18048 4071 1 15 . 1 1 38 38 PRO C C 38 174.400 174.400 175.925 -1.525 18048 4072 1 15 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.602 -1.202 18048 4073 1 15 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.671 -2.871 18048 4074 1 15 . 1 1 39 39 LYS N N 39 122.300 122.300 120.645 1.655 18048 4075 1 15 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.359 0.021 18048 4076 1 15 . 1 1 39 39 LYS C C 39 172.300 172.300 176.751 -4.451 18048 4077 1 15 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.061 -3.361 18048 4078 1 15 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.626 -2.326 18048 4079 1 15 . 1 1 39 39 LYS H H 39 8.920 8.920 8.400 0.520 18048 4080 1 15 . 1 1 40 40 VAL N N 40 118.500 118.500 121.710 -3.210 18048 4081 1 15 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.411 -0.131 18048 4082 1 15 . 1 1 40 40 VAL C C 40 173.600 173.600 176.488 -2.888 18048 4083 1 15 . 1 1 40 40 VAL CA C 40 58.100 58.100 62.036 -3.936 18048 4084 1 15 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.084 -1.684 18048 4085 1 15 . 1 1 40 40 VAL H H 40 7.000 7.000 7.899 -0.899 18048 4086 1 15 . 1 1 41 41 GLU N N 41 131.800 131.800 129.776 2.024 18048 4087 1 15 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.422 0.528 18048 4088 1 15 . 1 1 41 41 GLU C C 41 174.700 174.700 177.926 -3.226 18048 4089 1 15 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.998 -2.298 18048 4090 1 15 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.307 -2.207 18048 4091 1 15 . 1 1 41 41 GLU H H 41 8.820 8.820 9.110 -0.290 18048 4092 1 15 . 1 1 42 42 ALA N N 42 117.700 117.700 120.894 -3.194 18048 4093 1 15 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.133 -0.343 18048 4094 1 15 . 1 1 42 42 ALA C C 42 178.000 178.000 179.994 -1.994 18048 4095 1 15 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.866 -1.966 18048 4096 1 15 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.060 -2.660 18048 4097 1 15 . 1 1 42 42 ALA H H 42 8.630 8.630 8.444 0.186 18048 4098 1 15 . 1 1 43 43 LYS N N 43 113.500 113.500 119.656 -6.156 18048 4099 1 15 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.122 -0.032 18048 4100 1 15 . 1 1 43 43 LYS C C 43 176.600 176.600 178.835 -2.235 18048 4101 1 15 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.524 -3.324 18048 4102 1 15 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.044 -2.043 18048 4103 1 15 . 1 1 43 43 LYS H H 43 6.530 6.530 7.714 -1.184 18048 4104 1 15 . 1 1 44 44 PHE N N 44 123.600 123.600 121.924 1.676 18048 4105 1 15 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.254 -0.314 18048 4106 1 15 . 1 1 44 44 PHE C C 44 173.300 173.300 177.516 -4.216 18048 4107 1 15 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.804 -1.504 18048 4108 1 15 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.259 -2.559 18048 4109 1 15 . 1 1 44 44 PHE H H 44 8.610 8.610 8.351 0.259 18048 4110 1 15 . 1 1 45 45 ILE N N 45 119.600 119.600 118.919 0.681 18048 4111 1 15 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.388 -0.018 18048 4112 1 15 . 1 1 45 45 ILE C C 45 174.700 174.700 177.310 -2.610 18048 4113 1 15 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.715 -2.215 18048 4114 1 15 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.519 -2.519 18048 4115 1 15 . 1 1 45 45 ILE H H 45 8.690 8.690 8.822 -0.132 18048 4116 1 15 . 1 1 46 46 ASN N N 46 115.900 115.900 119.031 -3.131 18048 4117 1 15 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.279 -0.029 18048 4118 1 15 . 1 1 46 46 ASN C C 46 173.800 173.800 177.225 -3.425 18048 4119 1 15 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.526 -2.727 18048 4120 1 15 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.318 -2.718 18048 4121 1 15 . 1 1 46 46 ASN H H 46 7.320 7.320 8.093 -0.773 18048 4122 1 15 . 1 1 47 47 TYR N N 47 120.900 120.900 120.740 0.160 18048 4123 1 15 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.114 0.176 18048 4124 1 15 . 1 1 47 47 TYR C C 47 174.400 174.400 177.628 -3.228 18048 4125 1 15 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.431 -3.231 18048 4126 1 15 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.719 -2.919 18048 4127 1 15 . 1 1 47 47 TYR H H 47 7.840 7.840 8.229 -0.389 18048 4128 1 15 . 1 1 48 48 VAL N N 48 117.800 117.800 119.761 -1.961 18048 4129 1 15 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.292 0.178 18048 4130 1 15 . 1 1 48 48 VAL C C 48 176.300 176.300 178.124 -1.824 18048 4131 1 15 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.987 -3.187 18048 4132 1 15 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.463 -3.063 18048 4133 1 15 . 1 1 48 48 VAL H H 48 8.260 8.260 8.451 -0.191 18048 4134 1 15 . 1 1 49 49 LYS N N 49 119.700 119.700 117.877 1.823 18048 4135 1 15 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.819 0.131 18048 4136 1 15 . 1 1 49 49 LYS C C 49 176.400 176.400 177.467 -1.067 18048 4137 1 15 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.456 -1.856 18048 4138 1 15 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.089 -2.189 18048 4139 1 15 . 1 1 49 49 LYS H H 49 8.070 8.070 8.254 -0.184 18048 4140 1 15 . 1 1 50 50 ASN N N 50 115.600 115.600 114.731 0.869 18048 4141 1 15 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.470 -0.120 18048 4142 1 15 . 1 1 50 50 ASN C C 50 174.100 174.100 175.997 -1.897 18048 4143 1 15 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.058 -2.058 18048 4144 1 15 . 1 1 50 50 ASN CB C 50 36.300 36.300 39.013 -2.713 18048 4145 1 15 . 1 1 50 50 ASN H H 50 8.080 8.080 7.680 0.400 18048 4146 1 15 . 1 1 51 51 CYS N N 51 115.800 115.800 116.389 -0.589 18048 4147 1 15 . 1 1 51 51 CYS C C 51 172.800 172.800 172.985 -0.185 18048 4148 1 15 . 1 1 51 51 CYS CA C 51 58.800 58.800 59.150 -0.350 18048 4149 1 15 . 1 1 51 51 CYS CB C 51 24.200 24.200 29.758 -5.558 18048 4150 1 15 . 1 1 51 51 CYS H H 51 8.480 8.480 7.491 0.989 18048 4151 1 15 . 1 1 52 52 PHE N N 52 112.700 112.700 118.847 -6.147 18048 4152 1 15 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.655 -0.035 18048 4153 1 15 . 1 1 52 52 PHE C C 52 171.900 171.900 173.985 -2.085 18048 4154 1 15 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.698 -3.098 18048 4155 1 15 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.804 -3.904 18048 4156 1 15 . 1 1 52 52 PHE H H 52 7.230 7.230 8.222 -0.992 18048 4157 1 15 . 1 1 53 53 ARG N N 53 114.500 114.500 126.447 -11.947 18048 4158 1 15 . 1 1 53 53 ARG C C 53 172.000 172.000 177.099 -5.099 18048 4159 1 15 . 1 1 53 53 ARG CA C 53 53.900 53.900 58.036 -4.136 18048 4160 1 15 . 1 1 53 53 ARG CB C 53 23.500 23.500 30.257 -6.757 18048 4161 1 15 . 1 1 53 53 ARG H H 53 7.200 7.200 8.538 -1.338 18048 4162 1 15 . 1 1 54 54 MET N N 54 116.800 116.800 113.295 3.505 18048 4163 1 15 . 1 1 54 54 MET HA H 54 4.430 4.430 3.615 0.815 18048 4164 1 15 . 1 1 54 54 MET C C 54 172.600 172.600 176.328 -3.728 18048 4165 1 15 . 1 1 54 54 MET CA C 54 52.800 52.800 57.155 -4.355 18048 4166 1 15 . 1 1 54 54 MET CB C 54 31.500 31.500 30.786 0.714 18048 4167 1 15 . 1 1 54 54 MET H H 54 6.770 6.770 7.212 -0.442 18048 4168 1 15 . 1 1 55 55 THR N N 55 110.800 110.800 108.618 2.182 18048 4169 1 15 . 1 1 55 55 THR HA H 55 4.280 4.280 3.861 0.419 18048 4170 1 15 . 1 1 55 55 THR C C 55 171.800 171.800 173.197 -1.397 18048 4171 1 15 . 1 1 55 55 THR CA C 55 58.400 58.400 63.950 -5.550 18048 4172 1 15 . 1 1 55 55 THR CB C 55 67.400 67.400 67.685 -0.285 18048 4173 1 15 . 1 1 55 55 THR H H 55 8.480 8.480 8.002 0.478 18048 4174 1 15 . 1 1 56 56 ASP N N 56 123.800 123.800 120.735 3.065 18048 4175 1 15 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.783 -0.303 18048 4176 1 15 . 1 1 56 56 ASP C C 56 173.200 173.200 176.241 -3.041 18048 4177 1 15 . 1 1 56 56 ASP CA C 56 51.600 51.600 53.395 -1.796 18048 4178 1 15 . 1 1 56 56 ASP CB C 56 39.100 39.100 42.776 -3.676 18048 4179 1 15 . 1 1 56 56 ASP H H 56 7.450 7.450 7.857 -0.407 18048 4180 1 15 . 1 1 57 57 GLN N N 57 126.600 126.600 124.858 1.742 18048 4181 1 15 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.977 -0.177 18048 4182 1 15 . 1 1 57 57 GLN C C 57 175.400 175.400 177.547 -2.147 18048 4183 1 15 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.411 -2.811 18048 4184 1 15 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.793 -3.193 18048 4185 1 15 . 1 1 57 57 GLN H H 57 8.880 8.880 9.007 -0.127 18048 4186 1 15 . 1 1 58 58 GLU N N 58 119.400 119.400 117.634 1.766 18048 4187 1 15 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.078 -0.098 18048 4188 1 15 . 1 1 58 58 GLU C C 58 175.900 175.900 178.280 -2.380 18048 4189 1 15 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.257 -2.357 18048 4190 1 15 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.807 -2.507 18048 4191 1 15 . 1 1 58 58 GLU H H 58 8.220 8.220 8.946 -0.726 18048 4192 1 15 . 1 1 59 59 ALA N N 59 123.300 123.300 122.161 1.139 18048 4193 1 15 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.222 -0.122 18048 4194 1 15 . 1 1 59 59 ALA C C 59 177.400 177.400 179.788 -2.388 18048 4195 1 15 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.607 -2.707 18048 4196 1 15 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.400 -2.500 18048 4197 1 15 . 1 1 59 59 ALA H H 59 7.710 7.710 7.505 0.205 18048 4198 1 15 . 1 1 60 60 ILE N N 60 117.300 117.300 120.043 -2.743 18048 4199 1 15 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.734 -0.234 18048 4200 1 15 . 1 1 60 60 ILE C C 60 175.100 175.100 178.353 -3.253 18048 4201 1 15 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.522 -1.722 18048 4202 1 15 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.112 -3.312 18048 4203 1 15 . 1 1 60 60 ILE H H 60 8.130 8.130 8.135 -0.005 18048 4204 1 15 . 1 1 61 61 GLN N N 61 118.800 118.800 118.294 0.506 18048 4205 1 15 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.209 -0.029 18048 4206 1 15 . 1 1 61 61 GLN C C 61 175.900 175.900 178.038 -2.138 18048 4207 1 15 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.962 -2.662 18048 4208 1 15 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.976 -2.976 18048 4209 1 15 . 1 1 61 61 GLN H H 61 8.000 8.000 8.419 -0.419 18048 4210 1 15 . 1 1 62 62 ASP N N 62 121.000 121.000 121.775 -0.775 18048 4211 1 15 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.517 -0.127 18048 4212 1 15 . 1 1 62 62 ASP C C 62 177.200 177.200 178.778 -1.578 18048 4213 1 15 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.542 -2.542 18048 4214 1 15 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.019 -3.119 18048 4215 1 15 . 1 1 62 62 ASP H H 62 8.020 8.020 8.134 -0.114 18048 4216 1 15 . 1 1 63 63 LEU N N 63 120.700 120.700 119.899 0.801 18048 4217 1 15 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.436 -0.236 18048 4218 1 15 . 1 1 63 63 LEU C C 63 175.600 175.600 179.349 -3.749 18048 4219 1 15 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.803 -2.403 18048 4220 1 15 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.418 -2.018 18048 4221 1 15 . 1 1 63 63 LEU H H 63 8.220 8.220 8.536 -0.316 18048 4222 1 15 . 1 1 64 64 TRP N N 64 122.400 122.400 122.274 0.126 18048 4223 1 15 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.786 0.244 18048 4224 1 15 . 1 1 64 64 TRP C C 64 173.500 173.500 178.239 -4.739 18048 4225 1 15 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.529 -5.329 18048 4226 1 15 . 1 1 64 64 TRP CB C 64 26.800 26.800 28.989 -2.189 18048 4227 1 15 . 1 1 64 64 TRP H H 64 8.890 8.890 8.421 0.469 18048 4228 1 15 . 1 1 65 65 GLN N N 65 116.700 116.700 118.504 -1.804 18048 4229 1 15 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.832 -0.542 18048 4230 1 15 . 1 1 65 65 GLN C C 65 176.200 176.200 178.161 -1.961 18048 4231 1 15 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.833 -3.933 18048 4232 1 15 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.334 -3.634 18048 4233 1 15 . 1 1 65 65 GLN H H 65 8.310 8.310 8.324 -0.014 18048 4234 1 15 . 1 1 66 66 TRP N N 66 119.500 119.500 121.503 -2.003 18048 4235 1 15 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.291 -0.281 18048 4236 1 15 . 1 1 66 66 TRP C C 66 175.100 175.100 177.367 -2.267 18048 4237 1 15 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.473 -2.373 18048 4238 1 15 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.727 -5.127 18048 4239 1 15 . 1 1 66 66 TRP H H 66 7.750 7.750 8.198 -0.448 18048 4240 1 15 . 1 1 67 67 ARG N N 67 122.300 122.300 118.053 4.247 18048 4241 1 15 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.099 -0.049 18048 4242 1 15 . 1 1 67 67 ARG C C 67 177.800 177.800 178.737 -0.937 18048 4243 1 15 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.636 -2.136 18048 4244 1 15 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.744 -4.444 18048 4245 1 15 . 1 1 67 67 ARG H H 67 8.640 8.640 8.169 0.471 18048 4246 1 15 . 1 1 68 68 LYS N N 68 118.400 118.400 119.468 -1.068 18048 4247 1 15 . 1 1 68 68 LYS HA H 68 3.390 3.390 3.969 -0.579 18048 4248 1 15 . 1 1 68 68 LYS C C 68 173.800 173.800 178.193 -4.393 18048 4249 1 15 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.642 -3.142 18048 4250 1 15 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.077 -4.077 18048 4251 1 15 . 1 1 68 68 LYS H H 68 7.860 7.860 7.641 0.219 18048 4252 1 15 . 1 1 69 69 SER N N 69 114.500 114.500 112.747 1.753 18048 4253 1 15 . 1 1 69 69 SER HA H 69 4.200 4.200 4.380 -0.180 18048 4254 1 15 . 1 1 69 69 SER C C 69 170.300 170.300 174.205 -3.905 18048 4255 1 15 . 1 1 69 69 SER CA C 69 55.700 55.700 57.929 -2.229 18048 4256 1 15 . 1 1 69 69 SER CB C 69 61.500 61.500 63.468 -1.968 18048 4257 1 15 . 1 1 69 69 SER H H 69 7.060 7.060 7.663 -0.603 18048 4258 1 16 . 1 1 2 2 GLU N N 2 122.400 122.400 118.415 3.985 18048 4259 1 16 . 1 1 2 2 GLU HA H 2 4.130 4.130 3.790 0.340 18048 4260 1 16 . 1 1 2 2 GLU C C 2 173.800 173.800 175.527 -1.727 18048 4261 1 16 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.297 -3.197 18048 4262 1 16 . 1 1 2 2 GLU CB C 2 27.300 27.300 28.044 -0.744 18048 4263 1 16 . 1 1 2 2 GLU H H 2 8.490 8.490 8.896 -0.406 18048 4264 1 16 . 1 1 3 3 SER N N 3 116.300 116.300 110.997 5.303 18048 4265 1 16 . 1 1 3 3 SER HA H 3 4.240 4.240 4.052 0.188 18048 4266 1 16 . 1 1 3 3 SER C C 3 171.500 171.500 174.030 -2.530 18048 4267 1 16 . 1 1 3 3 SER CA C 3 55.800 55.800 59.054 -3.254 18048 4268 1 16 . 1 1 3 3 SER CB C 3 60.900 60.900 62.689 -1.789 18048 4269 1 16 . 1 1 3 3 SER H H 3 8.210 8.210 8.054 0.156 18048 4270 1 16 . 1 1 4 4 PHE N N 4 121.700 121.700 118.263 3.437 18048 4271 1 16 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.726 -0.246 18048 4272 1 16 . 1 1 4 4 PHE C C 4 172.800 172.800 177.319 -4.519 18048 4273 1 16 . 1 1 4 4 PHE CA C 4 55.000 55.000 55.109 -0.109 18048 4274 1 16 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.099 -2.599 18048 4275 1 16 . 1 1 4 4 PHE H H 4 8.040 8.040 7.252 0.788 18048 4276 1 16 . 1 1 5 5 LYS N N 5 122.600 122.600 123.633 -1.033 18048 4277 1 16 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.166 -0.046 18048 4278 1 16 . 1 1 5 5 LYS C C 5 173.400 173.400 178.062 -4.662 18048 4279 1 16 . 1 1 5 5 LYS CA C 5 53.400 53.400 58.494 -5.094 18048 4280 1 16 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.112 -2.012 18048 4281 1 16 . 1 1 5 5 LYS H H 5 7.990 7.990 8.957 -0.967 18048 4282 1 16 . 1 1 6 6 LYS N N 6 122.800 122.800 116.791 6.009 18048 4283 1 16 . 1 1 6 6 LYS C C 6 173.700 173.700 178.185 -4.485 18048 4284 1 16 . 1 1 6 6 LYS CA C 6 53.700 53.700 58.449 -4.749 18048 4285 1 16 . 1 1 6 6 LYS H H 6 8.160 8.160 8.539 -0.379 18048 4286 1 16 . 1 1 7 7 GLN N N 7 120.800 120.800 117.932 2.868 18048 4287 1 16 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.245 0.285 18048 4288 1 16 . 1 1 7 7 GLN C C 7 173.600 173.600 176.574 -2.974 18048 4289 1 16 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.562 -2.862 18048 4290 1 16 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.104 -1.804 18048 4291 1 16 . 1 1 7 7 GLN H H 7 8.240 8.240 7.915 0.325 18048 4292 1 16 . 1 1 8 8 GLU N N 8 121.400 121.400 121.131 0.269 18048 4293 1 16 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.183 0.017 18048 4294 1 16 . 1 1 8 8 GLU C C 8 173.100 173.100 176.320 -3.220 18048 4295 1 16 . 1 1 8 8 GLU CA C 8 52.900 52.900 57.062 -4.162 18048 4296 1 16 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.996 -2.396 18048 4297 1 16 . 1 1 8 8 GLU H H 8 8.270 8.270 7.951 0.319 18048 4298 1 16 . 1 1 9 9 LYS N N 9 123.000 123.000 125.009 -2.009 18048 4299 1 16 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.553 -0.313 18048 4300 1 16 . 1 1 9 9 LYS C C 9 173.700 173.700 176.132 -2.432 18048 4301 1 16 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.547 -3.047 18048 4302 1 16 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.135 -3.035 18048 4303 1 16 . 1 1 9 9 LYS H H 9 8.390 8.390 8.652 -0.262 18048 4304 1 16 . 1 1 10 10 THR N N 10 117.900 117.900 112.157 5.743 18048 4305 1 16 . 1 1 10 10 THR HA H 10 4.450 4.450 4.809 -0.359 18048 4306 1 16 . 1 1 10 10 THR C C 10 170.000 170.000 173.011 -3.011 18048 4307 1 16 . 1 1 10 10 THR CA C 10 57.000 57.000 59.814 -2.814 18048 4308 1 16 . 1 1 10 10 THR CB C 10 66.800 66.800 68.798 -1.998 18048 4309 1 16 . 1 1 10 10 THR H H 10 8.140 8.140 7.490 0.650 18048 4310 1 16 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.364 -0.054 18048 4311 1 16 . 1 1 11 11 PRO C C 11 173.800 173.800 176.173 -2.373 18048 4312 1 16 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.359 -2.959 18048 4313 1 16 . 1 1 11 11 PRO CB C 11 29.300 29.300 31.854 -2.554 18048 4314 1 16 . 1 1 12 12 LYS N N 12 121.700 121.700 117.430 4.270 18048 4315 1 16 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.155 0.055 18048 4316 1 16 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.726 -3.226 18048 4317 1 16 . 1 1 12 12 LYS CB C 12 30.200 30.200 31.559 -1.359 18048 4318 1 16 . 1 1 12 12 LYS H H 12 8.380 8.380 8.143 0.237 18048 4319 1 16 . 1 1 13 13 THR N N 13 115.600 115.600 115.563 0.037 18048 4320 1 16 . 1 1 13 13 THR HA H 13 4.360 4.360 4.508 -0.148 18048 4321 1 16 . 1 1 13 13 THR C C 13 169.800 169.800 173.180 -3.380 18048 4322 1 16 . 1 1 13 13 THR CA C 13 55.800 55.800 60.062 -4.262 18048 4323 1 16 . 1 1 13 13 THR CB C 13 67.800 67.800 69.709 -1.909 18048 4324 1 16 . 1 1 13 13 THR H H 13 7.940 7.940 7.894 0.046 18048 4325 1 16 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.676 -0.286 18048 4326 1 16 . 1 1 14 14 PRO C C 14 174.000 174.000 176.156 -2.156 18048 4327 1 16 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.710 -2.410 18048 4328 1 16 . 1 1 14 14 PRO CB C 14 29.200 29.200 33.080 -3.880 18048 4329 1 16 . 1 1 15 15 LYS N N 15 121.700 121.700 123.168 -1.468 18048 4330 1 16 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.431 -0.221 18048 4331 1 16 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.636 -2.136 18048 4332 1 16 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.020 -2.720 18048 4333 1 16 . 1 1 15 15 LYS H H 15 8.360 8.360 8.450 -0.090 18048 4334 1 16 . 1 1 16 16 GLY N N 16 110.100 110.100 111.646 -1.546 18048 4335 1 16 . 1 1 16 16 GLY C C 16 168.900 168.900 173.034 -4.134 18048 4336 1 16 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.565 -2.865 18048 4337 1 16 . 1 1 16 16 GLY H H 16 8.220 8.220 8.279 -0.059 18048 4338 1 16 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.427 -0.047 18048 4339 1 16 . 1 1 17 17 PRO C C 17 174.600 174.600 177.449 -2.849 18048 4340 1 16 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.691 -2.191 18048 4341 1 16 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.553 -3.153 18048 4342 1 16 . 1 1 18 18 SER N N 18 116.500 116.500 115.896 0.604 18048 4343 1 16 . 1 1 18 18 SER HA H 18 4.420 4.420 4.425 -0.005 18048 4344 1 16 . 1 1 18 18 SER C C 18 171.300 171.300 173.993 -2.693 18048 4345 1 16 . 1 1 18 18 SER CA C 18 55.900 55.900 58.491 -2.591 18048 4346 1 16 . 1 1 18 18 SER CB C 18 61.400 61.400 62.894 -1.494 18048 4347 1 16 . 1 1 18 18 SER H H 18 8.520 8.520 8.601 -0.081 18048 4348 1 16 . 1 1 19 19 SER N N 19 117.700 117.700 115.879 1.821 18048 4349 1 16 . 1 1 19 19 SER HA H 19 4.370 4.370 4.851 -0.481 18048 4350 1 16 . 1 1 19 19 SER C C 19 172.600 172.600 174.790 -2.190 18048 4351 1 16 . 1 1 19 19 SER CA C 19 55.500 55.500 57.684 -2.184 18048 4352 1 16 . 1 1 19 19 SER CB C 19 61.400 61.400 66.285 -4.885 18048 4353 1 16 . 1 1 19 19 SER H H 19 8.490 8.490 7.482 1.008 18048 4354 1 16 . 1 1 20 20 VAL N N 20 120.500 120.500 123.842 -3.342 18048 4355 1 16 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.411 0.079 18048 4356 1 16 . 1 1 20 20 VAL C C 20 174.300 174.300 177.086 -2.786 18048 4357 1 16 . 1 1 20 20 VAL CA C 20 63.500 63.500 66.017 -2.517 18048 4358 1 16 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.769 -2.869 18048 4359 1 16 . 1 1 20 20 VAL H H 20 8.310 8.310 9.155 -0.845 18048 4360 1 16 . 1 1 21 21 GLU N N 21 118.700 118.700 118.113 0.587 18048 4361 1 16 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.942 -0.312 18048 4362 1 16 . 1 1 21 21 GLU C C 21 176.300 176.300 178.725 -2.425 18048 4363 1 16 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.388 -2.487 18048 4364 1 16 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.689 -2.789 18048 4365 1 16 . 1 1 21 21 GLU H H 21 8.110 8.110 8.690 -0.580 18048 4366 1 16 . 1 1 22 22 ASP N N 22 120.400 120.400 120.820 -0.420 18048 4367 1 16 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.379 -0.119 18048 4368 1 16 . 1 1 22 22 ASP C C 22 175.600 175.600 178.161 -2.561 18048 4369 1 16 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.217 -3.017 18048 4370 1 16 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.866 -2.966 18048 4371 1 16 . 1 1 22 22 ASP H H 22 7.810 7.810 7.982 -0.172 18048 4372 1 16 . 1 1 23 23 ILE N N 23 120.900 120.900 120.411 0.489 18048 4373 1 16 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.524 -0.424 18048 4374 1 16 . 1 1 23 23 ILE C C 23 175.100 175.100 178.173 -3.073 18048 4375 1 16 . 1 1 23 23 ILE CA C 23 62.300 62.300 65.019 -2.719 18048 4376 1 16 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.696 -3.396 18048 4377 1 16 . 1 1 23 23 ILE H H 23 7.670 7.670 7.254 0.416 18048 4378 1 16 . 1 1 24 24 LYS N N 24 120.000 120.000 119.829 0.171 18048 4379 1 16 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.978 -0.888 18048 4380 1 16 . 1 1 24 24 LYS C C 24 175.400 175.400 179.232 -3.832 18048 4381 1 16 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.453 -2.053 18048 4382 1 16 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.687 -2.087 18048 4383 1 16 . 1 1 24 24 LYS H H 24 8.060 8.060 8.397 -0.337 18048 4384 1 16 . 1 1 25 25 ALA N N 25 119.000 119.000 121.445 -2.445 18048 4385 1 16 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.100 -0.070 18048 4386 1 16 . 1 1 25 25 ALA C C 25 178.700 178.700 180.168 -1.468 18048 4387 1 16 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.236 -2.936 18048 4388 1 16 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.288 -3.588 18048 4389 1 16 . 1 1 25 25 ALA H H 25 7.410 7.410 7.983 -0.573 18048 4390 1 16 . 1 1 26 26 LYS N N 26 120.100 120.100 118.817 1.283 18048 4391 1 16 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.125 -0.075 18048 4392 1 16 . 1 1 26 26 LYS C C 26 177.600 177.600 179.036 -1.436 18048 4393 1 16 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.909 -2.309 18048 4394 1 16 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.145 -2.545 18048 4395 1 16 . 1 1 26 26 LYS H H 26 7.760 7.760 8.431 -0.671 18048 4396 1 16 . 1 1 27 27 MET N N 27 120.900 120.900 120.177 0.723 18048 4397 1 16 . 1 1 27 27 MET HA H 27 4.220 4.220 4.069 0.151 18048 4398 1 16 . 1 1 27 27 MET C C 27 175.900 175.900 178.247 -2.347 18048 4399 1 16 . 1 1 27 27 MET CA C 27 58.000 58.000 60.001 -2.001 18048 4400 1 16 . 1 1 27 27 MET CB C 27 30.600 30.600 32.543 -1.943 18048 4401 1 16 . 1 1 27 27 MET H H 27 8.620 8.620 8.569 0.051 18048 4402 1 16 . 1 1 28 28 GLN N N 28 119.700 119.700 118.487 1.213 18048 4403 1 16 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.095 -0.055 18048 4404 1 16 . 1 1 28 28 GLN C C 28 175.500 175.500 178.844 -3.344 18048 4405 1 16 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.156 -1.456 18048 4406 1 16 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.602 -1.901 18048 4407 1 16 . 1 1 28 28 GLN H H 28 8.970 8.970 8.428 0.542 18048 4408 1 16 . 1 1 29 29 ALA N N 29 120.900 120.900 122.987 -2.087 18048 4409 1 16 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.017 0.143 18048 4410 1 16 . 1 1 29 29 ALA C C 29 177.500 177.500 179.778 -2.278 18048 4411 1 16 . 1 1 29 29 ALA CA C 29 52.100 52.100 54.957 -2.857 18048 4412 1 16 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.233 -3.433 18048 4413 1 16 . 1 1 29 29 ALA H H 29 7.940 7.940 8.122 -0.182 18048 4414 1 16 . 1 1 30 30 SER N N 30 112.900 112.900 115.136 -2.236 18048 4415 1 16 . 1 1 30 30 SER HA H 30 4.180 4.180 4.090 0.090 18048 4416 1 16 . 1 1 30 30 SER CA C 30 58.900 58.900 62.404 -3.504 18048 4417 1 16 . 1 1 30 30 SER CB C 30 60.000 60.000 63.275 -3.275 18048 4418 1 16 . 1 1 30 30 SER H H 30 7.780 7.780 8.092 -0.312 18048 4419 1 16 . 1 1 31 31 ILE N N 31 122.000 122.000 119.926 2.074 18048 4420 1 16 . 1 1 31 31 ILE HA H 31 3.850 3.850 4.030 -0.180 18048 4421 1 16 . 1 1 31 31 ILE C C 31 173.900 173.900 176.759 -2.859 18048 4422 1 16 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.375 -1.875 18048 4423 1 16 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.134 -3.234 18048 4424 1 16 . 1 1 31 31 ILE H H 31 7.940 7.940 8.358 -0.418 18048 4425 1 16 . 1 1 32 32 GLU N N 32 121.800 121.800 117.940 3.860 18048 4426 1 16 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.298 -0.268 18048 4427 1 16 . 1 1 32 32 GLU C C 32 175.200 175.200 177.008 -1.808 18048 4428 1 16 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.494 -1.194 18048 4429 1 16 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.117 -3.617 18048 4430 1 16 . 1 1 32 32 GLU H H 32 8.140 8.140 7.872 0.268 18048 4431 1 16 . 1 1 33 33 LYS N N 33 116.200 116.200 116.930 -0.730 18048 4432 1 16 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.539 -0.159 18048 4433 1 16 . 1 1 33 33 LYS C C 33 173.800 173.800 176.706 -2.906 18048 4434 1 16 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.287 -3.387 18048 4435 1 16 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.934 -4.434 18048 4436 1 16 . 1 1 33 33 LYS H H 33 7.350 7.350 7.825 -0.475 18048 4437 1 16 . 1 1 34 34 GLY N N 34 107.400 107.400 106.842 0.558 18048 4438 1 16 . 1 1 34 34 GLY C C 34 172.400 172.400 174.349 -1.949 18048 4439 1 16 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.158 -2.558 18048 4440 1 16 . 1 1 34 34 GLY H H 34 7.830 7.830 7.876 -0.046 18048 4441 1 16 . 1 1 35 35 GLY N N 35 109.200 109.200 110.445 -1.245 18048 4442 1 16 . 1 1 35 35 GLY C C 35 169.500 169.500 173.731 -4.231 18048 4443 1 16 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.735 -3.135 18048 4444 1 16 . 1 1 35 35 GLY H H 35 8.330 8.330 8.276 0.054 18048 4445 1 16 . 1 1 36 36 SER N N 36 112.700 112.700 116.673 -3.973 18048 4446 1 16 . 1 1 36 36 SER HA H 36 4.610 4.610 4.139 0.471 18048 4447 1 16 . 1 1 36 36 SER C C 36 171.000 171.000 173.846 -2.846 18048 4448 1 16 . 1 1 36 36 SER CA C 36 54.000 54.000 59.019 -5.019 18048 4449 1 16 . 1 1 36 36 SER CB C 36 62.300 62.300 63.241 -0.941 18048 4450 1 16 . 1 1 36 36 SER H H 36 8.150 8.150 8.452 -0.302 18048 4451 1 16 . 1 1 37 37 LEU N N 37 122.700 122.700 119.588 3.112 18048 4452 1 16 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.886 0.274 18048 4453 1 16 . 1 1 37 37 LEU C C 37 173.600 173.600 175.458 -1.858 18048 4454 1 16 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.495 -1.095 18048 4455 1 16 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.950 -0.450 18048 4456 1 16 . 1 1 37 37 LEU H H 37 8.380 8.380 8.325 0.055 18048 4457 1 16 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.505 -0.235 18048 4458 1 16 . 1 1 38 38 PRO C C 38 174.400 174.400 177.042 -2.642 18048 4459 1 16 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.662 -1.262 18048 4460 1 16 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.626 -2.826 18048 4461 1 16 . 1 1 39 39 LYS N N 39 122.300 122.300 120.596 1.704 18048 4462 1 16 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.356 0.024 18048 4463 1 16 . 1 1 39 39 LYS C C 39 172.300 172.300 176.197 -3.897 18048 4464 1 16 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.487 -2.787 18048 4465 1 16 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.730 -1.430 18048 4466 1 16 . 1 1 39 39 LYS H H 39 8.920 8.920 8.509 0.411 18048 4467 1 16 . 1 1 40 40 VAL N N 40 118.500 118.500 118.661 -0.161 18048 4468 1 16 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.472 -0.192 18048 4469 1 16 . 1 1 40 40 VAL C C 40 173.600 173.600 175.353 -1.753 18048 4470 1 16 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.248 -2.148 18048 4471 1 16 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.901 -2.501 18048 4472 1 16 . 1 1 40 40 VAL H H 40 7.000 7.000 7.457 -0.457 18048 4473 1 16 . 1 1 41 41 GLU N N 41 131.800 131.800 127.603 4.197 18048 4474 1 16 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.685 0.265 18048 4475 1 16 . 1 1 41 41 GLU C C 41 174.700 174.700 177.555 -2.855 18048 4476 1 16 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.828 -2.128 18048 4477 1 16 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.350 -2.250 18048 4478 1 16 . 1 1 41 41 GLU H H 41 8.820 8.820 9.043 -0.223 18048 4479 1 16 . 1 1 42 42 ALA N N 42 117.700 117.700 121.070 -3.370 18048 4480 1 16 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.086 -0.296 18048 4481 1 16 . 1 1 42 42 ALA C C 42 178.000 178.000 179.904 -1.904 18048 4482 1 16 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.925 -2.025 18048 4483 1 16 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.096 -2.696 18048 4484 1 16 . 1 1 42 42 ALA H H 42 8.630 8.630 8.407 0.223 18048 4485 1 16 . 1 1 43 43 LYS N N 43 113.500 113.500 119.431 -5.931 18048 4486 1 16 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.066 0.024 18048 4487 1 16 . 1 1 43 43 LYS C C 43 176.600 176.600 179.006 -2.406 18048 4488 1 16 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.250 -4.050 18048 4489 1 16 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.278 -2.278 18048 4490 1 16 . 1 1 43 43 LYS H H 43 6.530 6.530 7.808 -1.278 18048 4491 1 16 . 1 1 44 44 PHE N N 44 123.600 123.600 121.601 1.999 18048 4492 1 16 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.276 -0.336 18048 4493 1 16 . 1 1 44 44 PHE C C 44 173.300 173.300 177.264 -3.964 18048 4494 1 16 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.739 -1.439 18048 4495 1 16 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.345 -2.645 18048 4496 1 16 . 1 1 44 44 PHE H H 44 8.610 8.610 8.063 0.547 18048 4497 1 16 . 1 1 45 45 ILE N N 45 119.600 119.600 119.409 0.191 18048 4498 1 16 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.452 -0.082 18048 4499 1 16 . 1 1 45 45 ILE C C 45 174.700 174.700 177.529 -2.829 18048 4500 1 16 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.826 -2.326 18048 4501 1 16 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.486 -2.486 18048 4502 1 16 . 1 1 45 45 ILE H H 45 8.690 8.690 8.690 0.000 18048 4503 1 16 . 1 1 46 46 ASN N N 46 115.900 115.900 118.088 -2.188 18048 4504 1 16 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.313 -0.063 18048 4505 1 16 . 1 1 46 46 ASN C C 46 173.800 173.800 177.249 -3.449 18048 4506 1 16 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.350 -2.550 18048 4507 1 16 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.451 -2.851 18048 4508 1 16 . 1 1 46 46 ASN H H 46 7.320 7.320 8.067 -0.747 18048 4509 1 16 . 1 1 47 47 TYR N N 47 120.900 120.900 121.315 -0.415 18048 4510 1 16 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.119 0.171 18048 4511 1 16 . 1 1 47 47 TYR C C 47 174.400 174.400 177.654 -3.254 18048 4512 1 16 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.910 -3.710 18048 4513 1 16 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.543 -2.743 18048 4514 1 16 . 1 1 47 47 TYR H H 47 7.840 7.840 8.180 -0.340 18048 4515 1 16 . 1 1 48 48 VAL N N 48 117.800 117.800 119.006 -1.206 18048 4516 1 16 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.472 -0.002 18048 4517 1 16 . 1 1 48 48 VAL C C 48 176.300 176.300 177.993 -1.693 18048 4518 1 16 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.981 -3.181 18048 4519 1 16 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.372 -2.972 18048 4520 1 16 . 1 1 48 48 VAL H H 48 8.260 8.260 8.226 0.034 18048 4521 1 16 . 1 1 49 49 LYS N N 49 119.700 119.700 115.809 3.891 18048 4522 1 16 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.086 -0.136 18048 4523 1 16 . 1 1 49 49 LYS C C 49 176.400 176.400 177.662 -1.262 18048 4524 1 16 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.800 -1.200 18048 4525 1 16 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.465 -2.565 18048 4526 1 16 . 1 1 49 49 LYS H H 49 8.070 8.070 8.164 -0.094 18048 4527 1 16 . 1 1 50 50 ASN N N 50 115.600 115.600 114.791 0.809 18048 4528 1 16 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.650 -0.300 18048 4529 1 16 . 1 1 50 50 ASN C C 50 174.100 174.100 176.035 -1.935 18048 4530 1 16 . 1 1 50 50 ASN CA C 50 53.000 53.000 54.285 -1.285 18048 4531 1 16 . 1 1 50 50 ASN CB C 50 36.300 36.300 39.651 -3.351 18048 4532 1 16 . 1 1 50 50 ASN H H 50 8.080 8.080 7.831 0.249 18048 4533 1 16 . 1 1 51 51 CYS N N 51 115.800 115.800 116.995 -1.195 18048 4534 1 16 . 1 1 51 51 CYS C C 51 172.800 172.800 173.911 -1.111 18048 4535 1 16 . 1 1 51 51 CYS CA C 51 58.800 58.800 59.763 -0.963 18048 4536 1 16 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.876 -4.676 18048 4537 1 16 . 1 1 51 51 CYS H H 51 8.480 8.480 8.033 0.447 18048 4538 1 16 . 1 1 52 52 PHE N N 52 112.700 112.700 120.552 -7.852 18048 4539 1 16 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.830 -0.210 18048 4540 1 16 . 1 1 52 52 PHE C C 52 171.900 171.900 174.488 -2.588 18048 4541 1 16 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.067 -1.467 18048 4542 1 16 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.252 -4.352 18048 4543 1 16 . 1 1 52 52 PHE H H 52 7.230 7.230 8.003 -0.773 18048 4544 1 16 . 1 1 53 53 ARG N N 53 114.500 114.500 119.738 -5.238 18048 4545 1 16 . 1 1 53 53 ARG C C 53 172.000 172.000 175.650 -3.650 18048 4546 1 16 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.550 -1.650 18048 4547 1 16 . 1 1 53 53 ARG CB C 53 23.500 23.500 29.929 -6.429 18048 4548 1 16 . 1 1 53 53 ARG H H 53 7.200 7.200 7.515 -0.315 18048 4549 1 16 . 1 1 54 54 MET N N 54 116.800 116.800 117.656 -0.856 18048 4550 1 16 . 1 1 54 54 MET HA H 54 4.430 4.430 4.417 0.013 18048 4551 1 16 . 1 1 54 54 MET C C 54 172.600 172.600 175.777 -3.177 18048 4552 1 16 . 1 1 54 54 MET CA C 54 52.800 52.800 55.356 -2.557 18048 4553 1 16 . 1 1 54 54 MET CB C 54 31.500 31.500 34.051 -2.551 18048 4554 1 16 . 1 1 54 54 MET H H 54 6.770 6.770 6.831 -0.061 18048 4555 1 16 . 1 1 55 55 THR N N 55 110.800 110.800 109.873 0.927 18048 4556 1 16 . 1 1 55 55 THR HA H 55 4.280 4.280 4.389 -0.109 18048 4557 1 16 . 1 1 55 55 THR C C 55 171.800 171.800 173.512 -1.712 18048 4558 1 16 . 1 1 55 55 THR CA C 55 58.400 58.400 61.510 -3.110 18048 4559 1 16 . 1 1 55 55 THR CB C 55 67.400 67.400 69.620 -2.220 18048 4560 1 16 . 1 1 55 55 THR H H 55 8.480 8.480 8.366 0.114 18048 4561 1 16 . 1 1 56 56 ASP N N 56 123.800 123.800 123.422 0.378 18048 4562 1 16 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.598 -0.117 18048 4563 1 16 . 1 1 56 56 ASP C C 56 173.200 173.200 177.197 -3.997 18048 4564 1 16 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.974 -3.374 18048 4565 1 16 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.901 -2.801 18048 4566 1 16 . 1 1 56 56 ASP H H 56 7.450 7.450 8.164 -0.714 18048 4567 1 16 . 1 1 57 57 GLN N N 57 126.600 126.600 125.405 1.195 18048 4568 1 16 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.100 -0.300 18048 4569 1 16 . 1 1 57 57 GLN C C 57 175.400 175.400 177.441 -2.041 18048 4570 1 16 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.941 -2.341 18048 4571 1 16 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.736 -3.136 18048 4572 1 16 . 1 1 57 57 GLN H H 57 8.880 8.880 8.802 0.078 18048 4573 1 16 . 1 1 58 58 GLU N N 58 119.400 119.400 120.113 -0.713 18048 4574 1 16 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.065 -0.085 18048 4575 1 16 . 1 1 58 58 GLU C C 58 175.900 175.900 178.098 -2.198 18048 4576 1 16 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.677 -2.777 18048 4577 1 16 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.823 -2.523 18048 4578 1 16 . 1 1 58 58 GLU H H 58 8.220 8.220 8.712 -0.492 18048 4579 1 16 . 1 1 59 59 ALA N N 59 123.300 123.300 121.785 1.515 18048 4580 1 16 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.206 -0.106 18048 4581 1 16 . 1 1 59 59 ALA C C 59 177.400 177.400 180.044 -2.644 18048 4582 1 16 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.807 -2.907 18048 4583 1 16 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.207 -2.307 18048 4584 1 16 . 1 1 59 59 ALA H H 59 7.710 7.710 7.581 0.129 18048 4585 1 16 . 1 1 60 60 ILE N N 60 117.300 117.300 119.753 -2.453 18048 4586 1 16 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.753 -0.253 18048 4587 1 16 . 1 1 60 60 ILE C C 60 175.100 175.100 178.098 -2.998 18048 4588 1 16 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.689 -1.889 18048 4589 1 16 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.150 -3.350 18048 4590 1 16 . 1 1 60 60 ILE H H 60 8.130 8.130 8.276 -0.146 18048 4591 1 16 . 1 1 61 61 GLN N N 61 118.800 118.800 118.602 0.198 18048 4592 1 16 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.380 -0.200 18048 4593 1 16 . 1 1 61 61 GLN C C 61 175.900 175.900 178.098 -2.198 18048 4594 1 16 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.436 -2.136 18048 4595 1 16 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.933 -2.933 18048 4596 1 16 . 1 1 61 61 GLN H H 61 8.000 8.000 8.466 -0.466 18048 4597 1 16 . 1 1 62 62 ASP N N 62 121.000 121.000 121.792 -0.792 18048 4598 1 16 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.587 -0.197 18048 4599 1 16 . 1 1 62 62 ASP C C 62 177.200 177.200 178.641 -1.441 18048 4600 1 16 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.550 -2.550 18048 4601 1 16 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.928 -3.028 18048 4602 1 16 . 1 1 62 62 ASP H H 62 8.020 8.020 8.200 -0.180 18048 4603 1 16 . 1 1 63 63 LEU N N 63 120.700 120.700 120.164 0.536 18048 4604 1 16 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.336 -0.136 18048 4605 1 16 . 1 1 63 63 LEU C C 63 175.600 175.600 178.595 -2.995 18048 4606 1 16 . 1 1 63 63 LEU CA C 63 55.400 55.400 59.147 -3.747 18048 4607 1 16 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.140 -2.740 18048 4608 1 16 . 1 1 63 63 LEU H H 63 8.220 8.220 8.515 -0.295 18048 4609 1 16 . 1 1 64 64 TRP N N 64 122.400 122.400 119.287 3.113 18048 4610 1 16 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.721 0.309 18048 4611 1 16 . 1 1 64 64 TRP C C 64 173.500 173.500 178.001 -4.501 18048 4612 1 16 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.116 -3.916 18048 4613 1 16 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.541 -2.741 18048 4614 1 16 . 1 1 64 64 TRP H H 64 8.890 8.890 8.034 0.856 18048 4615 1 16 . 1 1 65 65 GLN N N 65 116.700 116.700 118.950 -2.250 18048 4616 1 16 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.809 -0.519 18048 4617 1 16 . 1 1 65 65 GLN C C 65 176.200 176.200 178.458 -2.258 18048 4618 1 16 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.575 -2.675 18048 4619 1 16 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.472 -3.772 18048 4620 1 16 . 1 1 65 65 GLN H H 65 8.310 8.310 8.505 -0.195 18048 4621 1 16 . 1 1 66 66 TRP N N 66 119.500 119.500 117.307 2.193 18048 4622 1 16 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.520 -0.510 18048 4623 1 16 . 1 1 66 66 TRP C C 66 175.100 175.100 175.735 -0.635 18048 4624 1 16 . 1 1 66 66 TRP CA C 66 58.100 58.100 58.291 -0.191 18048 4625 1 16 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.002 -4.402 18048 4626 1 16 . 1 1 66 66 TRP H H 66 7.750 7.750 8.211 -0.461 18048 4627 1 16 . 1 1 67 67 ARG N N 67 122.300 122.300 114.635 7.665 18048 4628 1 16 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.441 -0.391 18048 4629 1 16 . 1 1 67 67 ARG C C 67 177.800 177.800 176.928 0.872 18048 4630 1 16 . 1 1 67 67 ARG CA C 67 56.500 56.500 55.920 0.580 18048 4631 1 16 . 1 1 67 67 ARG CB C 67 25.300 25.300 31.411 -6.111 18048 4632 1 16 . 1 1 67 67 ARG H H 67 8.640 8.640 7.590 1.050 18048 4633 1 16 . 1 1 68 68 LYS N N 68 118.400 118.400 117.462 0.938 18048 4634 1 16 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.269 -0.879 18048 4635 1 16 . 1 1 68 68 LYS C C 68 173.800 173.800 176.516 -2.716 18048 4636 1 16 . 1 1 68 68 LYS CA C 68 55.500 55.500 55.836 -0.336 18048 4637 1 16 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.604 -4.604 18048 4638 1 16 . 1 1 68 68 LYS H H 68 7.860 7.860 7.868 -0.008 18048 4639 1 16 . 1 1 69 69 SER N N 69 114.500 114.500 116.266 -1.766 18048 4640 1 16 . 1 1 69 69 SER HA H 69 4.200 4.200 4.353 -0.153 18048 4641 1 16 . 1 1 69 69 SER C C 69 170.300 170.300 172.771 -2.471 18048 4642 1 16 . 1 1 69 69 SER CA C 69 55.700 55.700 58.209 -2.509 18048 4643 1 16 . 1 1 69 69 SER CB C 69 61.500 61.500 62.990 -1.490 18048 4644 1 16 . 1 1 69 69 SER H H 69 7.060 7.060 8.098 -1.038 18048 4645 1 18 . 1 1 2 2 GLU N N 2 122.400 122.400 120.813 1.587 18048 4646 1 18 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.568 -0.438 18048 4647 1 18 . 1 1 2 2 GLU C C 2 173.800 173.800 175.691 -1.891 18048 4648 1 18 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.823 -2.723 18048 4649 1 18 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.719 -3.419 18048 4650 1 18 . 1 1 2 2 GLU H H 2 8.490 8.490 8.278 0.212 18048 4651 1 18 . 1 1 3 3 SER N N 3 116.300 116.300 113.358 2.942 18048 4652 1 18 . 1 1 3 3 SER HA H 3 4.240 4.240 4.697 -0.457 18048 4653 1 18 . 1 1 3 3 SER C C 3 171.500 171.500 173.353 -1.853 18048 4654 1 18 . 1 1 3 3 SER CA C 3 55.800 55.800 57.296 -1.496 18048 4655 1 18 . 1 1 3 3 SER CB C 3 60.900 60.900 64.054 -3.154 18048 4656 1 18 . 1 1 3 3 SER H H 3 8.210 8.210 7.906 0.304 18048 4657 1 18 . 1 1 4 4 PHE N N 4 121.700 121.700 121.694 0.006 18048 4658 1 18 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.560 -0.080 18048 4659 1 18 . 1 1 4 4 PHE C C 4 172.800 172.800 175.273 -2.473 18048 4660 1 18 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.334 -3.334 18048 4661 1 18 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.442 -2.942 18048 4662 1 18 . 1 1 4 4 PHE H H 4 8.040 8.040 8.852 -0.812 18048 4663 1 18 . 1 1 5 5 LYS N N 5 122.600 122.600 118.564 4.036 18048 4664 1 18 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.006 0.114 18048 4665 1 18 . 1 1 5 5 LYS C C 5 173.400 173.400 176.588 -3.188 18048 4666 1 18 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.370 -2.970 18048 4667 1 18 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.071 -1.971 18048 4668 1 18 . 1 1 5 5 LYS H H 5 7.990 7.990 7.944 0.046 18048 4669 1 18 . 1 1 6 6 LYS N N 6 122.800 122.800 118.818 3.982 18048 4670 1 18 . 1 1 6 6 LYS C C 6 173.700 173.700 177.059 -3.359 18048 4671 1 18 . 1 1 6 6 LYS CA C 6 53.700 53.700 58.474 -4.774 18048 4672 1 18 . 1 1 6 6 LYS H H 6 8.160 8.160 8.810 -0.650 18048 4673 1 18 . 1 1 7 7 GLN N N 7 120.800 120.800 114.591 6.209 18048 4674 1 18 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.017 0.513 18048 4675 1 18 . 1 1 7 7 GLN C C 7 173.600 173.600 175.930 -2.330 18048 4676 1 18 . 1 1 7 7 GLN CA C 7 53.700 53.700 57.110 -3.410 18048 4677 1 18 . 1 1 7 7 GLN CB C 7 27.300 27.300 26.865 0.435 18048 4678 1 18 . 1 1 7 7 GLN H H 7 8.240 8.240 8.405 -0.165 18048 4679 1 18 . 1 1 8 8 GLU N N 8 121.400 121.400 118.433 2.967 18048 4680 1 18 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.169 0.031 18048 4681 1 18 . 1 1 8 8 GLU C C 8 173.100 173.100 177.017 -3.917 18048 4682 1 18 . 1 1 8 8 GLU CA C 8 52.900 52.900 57.780 -4.880 18048 4683 1 18 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.084 -2.483 18048 4684 1 18 . 1 1 8 8 GLU H H 8 8.270 8.270 8.411 -0.141 18048 4685 1 18 . 1 1 9 9 LYS N N 9 123.000 123.000 118.254 4.746 18048 4686 1 18 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.475 -0.235 18048 4687 1 18 . 1 1 9 9 LYS C C 9 173.700 173.700 174.711 -1.011 18048 4688 1 18 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.874 -2.374 18048 4689 1 18 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.830 -3.730 18048 4690 1 18 . 1 1 9 9 LYS H H 9 8.390 8.390 7.486 0.904 18048 4691 1 18 . 1 1 10 10 THR N N 10 117.900 117.900 113.937 3.963 18048 4692 1 18 . 1 1 10 10 THR HA H 10 4.450 4.450 4.672 -0.222 18048 4693 1 18 . 1 1 10 10 THR C C 10 170.000 170.000 172.898 -2.898 18048 4694 1 18 . 1 1 10 10 THR CA C 10 57.000 57.000 59.434 -2.434 18048 4695 1 18 . 1 1 10 10 THR CB C 10 66.800 66.800 68.366 -1.566 18048 4696 1 18 . 1 1 10 10 THR H H 10 8.140 8.140 8.235 -0.095 18048 4697 1 18 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.521 -0.211 18048 4698 1 18 . 1 1 11 11 PRO C C 11 173.800 173.800 176.738 -2.938 18048 4699 1 18 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.555 -2.155 18048 4700 1 18 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.601 -3.301 18048 4701 1 18 . 1 1 12 12 LYS N N 12 121.700 121.700 118.218 3.482 18048 4702 1 18 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.166 0.044 18048 4703 1 18 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.717 -3.216 18048 4704 1 18 . 1 1 12 12 LYS CB C 12 30.200 30.200 31.383 -1.183 18048 4705 1 18 . 1 1 12 12 LYS H H 12 8.380 8.380 8.551 -0.171 18048 4706 1 18 . 1 1 13 13 THR N N 13 115.600 115.600 112.930 2.670 18048 4707 1 18 . 1 1 13 13 THR HA H 13 4.360 4.360 4.465 -0.105 18048 4708 1 18 . 1 1 13 13 THR C C 13 169.800 169.800 173.288 -3.488 18048 4709 1 18 . 1 1 13 13 THR CA C 13 55.800 55.800 60.136 -4.336 18048 4710 1 18 . 1 1 13 13 THR CB C 13 67.800 67.800 69.011 -1.211 18048 4711 1 18 . 1 1 13 13 THR H H 13 7.940 7.940 7.996 -0.056 18048 4712 1 18 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.621 -0.231 18048 4713 1 18 . 1 1 14 14 PRO C C 14 174.000 174.000 176.230 -2.230 18048 4714 1 18 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.612 -2.312 18048 4715 1 18 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.267 -3.067 18048 4716 1 18 . 1 1 15 15 LYS N N 15 121.700 121.700 123.873 -2.173 18048 4717 1 18 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.453 -0.243 18048 4718 1 18 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.507 -3.007 18048 4719 1 18 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.490 -3.190 18048 4720 1 18 . 1 1 15 15 LYS H H 15 8.360 8.360 8.557 -0.197 18048 4721 1 18 . 1 1 16 16 GLY N N 16 110.100 110.100 108.189 1.911 18048 4722 1 18 . 1 1 16 16 GLY C C 16 168.900 168.900 171.987 -3.087 18048 4723 1 18 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.471 -2.771 18048 4724 1 18 . 1 1 16 16 GLY H H 16 8.220 8.220 8.065 0.155 18048 4725 1 18 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.223 0.157 18048 4726 1 18 . 1 1 17 17 PRO C C 17 174.600 174.600 176.553 -1.953 18048 4727 1 18 . 1 1 17 17 PRO CA C 17 60.500 60.500 63.067 -2.567 18048 4728 1 18 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.415 -3.015 18048 4729 1 18 . 1 1 18 18 SER N N 18 116.500 116.500 118.203 -1.703 18048 4730 1 18 . 1 1 18 18 SER HA H 18 4.420 4.420 3.563 0.857 18048 4731 1 18 . 1 1 18 18 SER C C 18 171.300 171.300 172.733 -1.433 18048 4732 1 18 . 1 1 18 18 SER CA C 18 55.900 55.900 58.180 -2.280 18048 4733 1 18 . 1 1 18 18 SER CB C 18 61.400 61.400 62.445 -1.045 18048 4734 1 18 . 1 1 18 18 SER H H 18 8.520 8.520 8.388 0.132 18048 4735 1 18 . 1 1 19 19 SER N N 19 117.700 117.700 116.591 1.109 18048 4736 1 18 . 1 1 19 19 SER HA H 19 4.370 4.370 4.579 -0.209 18048 4737 1 18 . 1 1 19 19 SER C C 19 172.600 172.600 174.556 -1.956 18048 4738 1 18 . 1 1 19 19 SER CA C 19 55.500 55.500 56.945 -1.445 18048 4739 1 18 . 1 1 19 19 SER CB C 19 61.400 61.400 66.460 -5.061 18048 4740 1 18 . 1 1 19 19 SER H H 19 8.490 8.490 7.387 1.103 18048 4741 1 18 . 1 1 20 20 VAL N N 20 120.500 120.500 125.291 -4.791 18048 4742 1 18 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.688 -0.198 18048 4743 1 18 . 1 1 20 20 VAL C C 20 174.300 174.300 177.628 -3.328 18048 4744 1 18 . 1 1 20 20 VAL CA C 20 63.500 63.500 66.384 -2.884 18048 4745 1 18 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.945 -3.045 18048 4746 1 18 . 1 1 20 20 VAL H H 20 8.310 8.310 8.995 -0.685 18048 4747 1 18 . 1 1 21 21 GLU N N 21 118.700 118.700 118.867 -0.167 18048 4748 1 18 . 1 1 21 21 GLU HA H 21 3.630 3.630 4.073 -0.443 18048 4749 1 18 . 1 1 21 21 GLU C C 21 176.300 176.300 178.714 -2.414 18048 4750 1 18 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.439 -2.539 18048 4751 1 18 . 1 1 21 21 GLU CB C 21 25.900 25.900 29.001 -3.101 18048 4752 1 18 . 1 1 21 21 GLU H H 21 8.110 8.110 8.880 -0.770 18048 4753 1 18 . 1 1 22 22 ASP N N 22 120.400 120.400 120.509 -0.109 18048 4754 1 18 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.432 -0.172 18048 4755 1 18 . 1 1 22 22 ASP C C 22 175.600 175.600 178.004 -2.404 18048 4756 1 18 . 1 1 22 22 ASP CA C 22 54.200 54.200 56.642 -2.442 18048 4757 1 18 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.705 -2.805 18048 4758 1 18 . 1 1 22 22 ASP H H 22 7.810 7.810 7.615 0.195 18048 4759 1 18 . 1 1 23 23 ILE N N 23 120.900 120.900 121.106 -0.206 18048 4760 1 18 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.520 -0.420 18048 4761 1 18 . 1 1 23 23 ILE C C 23 175.100 175.100 177.779 -2.679 18048 4762 1 18 . 1 1 23 23 ILE CA C 23 62.300 62.300 65.592 -3.292 18048 4763 1 18 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.840 -3.540 18048 4764 1 18 . 1 1 23 23 ILE H H 23 7.670 7.670 7.503 0.167 18048 4765 1 18 . 1 1 24 24 LYS N N 24 120.000 120.000 119.931 0.069 18048 4766 1 18 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.764 -0.674 18048 4767 1 18 . 1 1 24 24 LYS C C 24 175.400 175.400 178.299 -2.899 18048 4768 1 18 . 1 1 24 24 LYS CA C 24 57.400 57.400 58.393 -0.993 18048 4769 1 18 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.217 -1.617 18048 4770 1 18 . 1 1 24 24 LYS H H 24 8.060 8.060 8.084 -0.023 18048 4771 1 18 . 1 1 25 25 ALA N N 25 119.000 119.000 121.746 -2.746 18048 4772 1 18 . 1 1 25 25 ALA HA H 25 4.030 4.030 3.893 0.137 18048 4773 1 18 . 1 1 25 25 ALA C C 25 178.700 178.700 179.428 -0.728 18048 4774 1 18 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.401 -3.101 18048 4775 1 18 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.227 -3.527 18048 4776 1 18 . 1 1 25 25 ALA H H 25 7.410 7.410 7.964 -0.554 18048 4777 1 18 . 1 1 26 26 LYS N N 26 120.100 120.100 118.628 1.472 18048 4778 1 18 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.105 -0.055 18048 4779 1 18 . 1 1 26 26 LYS C C 26 177.600 177.600 178.974 -1.374 18048 4780 1 18 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.794 -2.194 18048 4781 1 18 . 1 1 26 26 LYS CB C 26 29.600 29.600 31.936 -2.336 18048 4782 1 18 . 1 1 26 26 LYS H H 26 7.760 7.760 8.304 -0.544 18048 4783 1 18 . 1 1 27 27 MET N N 27 120.900 120.900 120.283 0.617 18048 4784 1 18 . 1 1 27 27 MET HA H 27 4.220 4.220 3.996 0.224 18048 4785 1 18 . 1 1 27 27 MET C C 27 175.900 175.900 178.245 -2.345 18048 4786 1 18 . 1 1 27 27 MET CA C 27 58.000 58.000 59.871 -1.871 18048 4787 1 18 . 1 1 27 27 MET CB C 27 30.600 30.600 32.402 -1.802 18048 4788 1 18 . 1 1 27 27 MET H H 27 8.620 8.620 8.438 0.182 18048 4789 1 18 . 1 1 28 28 GLN N N 28 119.700 119.700 117.807 1.893 18048 4790 1 18 . 1 1 28 28 GLN HA H 28 4.040 4.040 3.979 0.061 18048 4791 1 18 . 1 1 28 28 GLN C C 28 175.500 175.500 178.380 -2.880 18048 4792 1 18 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.321 -1.621 18048 4793 1 18 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.663 -1.963 18048 4794 1 18 . 1 1 28 28 GLN H H 28 8.970 8.970 7.991 0.979 18048 4795 1 18 . 1 1 29 29 ALA N N 29 120.900 120.900 122.370 -1.470 18048 4796 1 18 . 1 1 29 29 ALA HA H 29 4.160 4.160 3.963 0.197 18048 4797 1 18 . 1 1 29 29 ALA C C 29 177.500 177.500 179.899 -2.399 18048 4798 1 18 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.096 -2.996 18048 4799 1 18 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.087 -3.288 18048 4800 1 18 . 1 1 29 29 ALA H H 29 7.940 7.940 8.358 -0.418 18048 4801 1 18 . 1 1 30 30 SER N N 30 112.900 112.900 115.332 -2.432 18048 4802 1 18 . 1 1 30 30 SER HA H 30 4.180 4.180 4.146 0.034 18048 4803 1 18 . 1 1 30 30 SER CA C 30 58.900 58.900 62.603 -3.703 18048 4804 1 18 . 1 1 30 30 SER CB C 30 60.000 60.000 62.934 -2.934 18048 4805 1 18 . 1 1 30 30 SER H H 30 7.780 7.780 7.991 -0.211 18048 4806 1 18 . 1 1 31 31 ILE N N 31 122.000 122.000 121.913 0.087 18048 4807 1 18 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.696 0.154 18048 4808 1 18 . 1 1 31 31 ILE C C 31 173.900 173.900 177.546 -3.646 18048 4809 1 18 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.105 -3.605 18048 4810 1 18 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.055 -3.155 18048 4811 1 18 . 1 1 31 31 ILE H H 31 7.940 7.940 7.867 0.073 18048 4812 1 18 . 1 1 32 32 GLU N N 32 121.800 121.800 117.940 3.860 18048 4813 1 18 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.160 -0.130 18048 4814 1 18 . 1 1 32 32 GLU C C 32 175.200 175.200 178.250 -3.050 18048 4815 1 18 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.329 -2.029 18048 4816 1 18 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.870 -3.370 18048 4817 1 18 . 1 1 32 32 GLU H H 32 8.140 8.140 7.884 0.256 18048 4818 1 18 . 1 1 33 33 LYS N N 33 116.200 116.200 117.453 -1.253 18048 4819 1 18 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.402 -0.022 18048 4820 1 18 . 1 1 33 33 LYS C C 33 173.800 173.800 176.982 -3.182 18048 4821 1 18 . 1 1 33 33 LYS CA C 33 52.900 52.900 54.858 -1.958 18048 4822 1 18 . 1 1 33 33 LYS CB C 33 29.500 29.500 31.854 -2.353 18048 4823 1 18 . 1 1 33 33 LYS H H 33 7.350 7.350 8.228 -0.878 18048 4824 1 18 . 1 1 34 34 GLY N N 34 107.400 107.400 107.830 -0.430 18048 4825 1 18 . 1 1 34 34 GLY C C 34 172.400 172.400 174.851 -2.451 18048 4826 1 18 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.177 -2.577 18048 4827 1 18 . 1 1 34 34 GLY H H 34 7.830 7.830 7.951 -0.121 18048 4828 1 18 . 1 1 35 35 GLY N N 35 109.200 109.200 107.941 1.259 18048 4829 1 18 . 1 1 35 35 GLY C C 35 169.500 169.500 173.687 -4.187 18048 4830 1 18 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.251 -2.651 18048 4831 1 18 . 1 1 35 35 GLY H H 35 8.330 8.330 7.792 0.538 18048 4832 1 18 . 1 1 36 36 SER N N 36 112.700 112.700 115.859 -3.159 18048 4833 1 18 . 1 1 36 36 SER HA H 36 4.610 4.610 4.451 0.159 18048 4834 1 18 . 1 1 36 36 SER C C 36 171.000 171.000 174.474 -3.474 18048 4835 1 18 . 1 1 36 36 SER CA C 36 54.000 54.000 58.194 -4.194 18048 4836 1 18 . 1 1 36 36 SER CB C 36 62.300 62.300 63.761 -1.461 18048 4837 1 18 . 1 1 36 36 SER H H 36 8.150 8.150 8.256 -0.106 18048 4838 1 18 . 1 1 37 37 LEU N N 37 122.700 122.700 129.120 -6.420 18048 4839 1 18 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.434 -0.274 18048 4840 1 18 . 1 1 37 37 LEU C C 37 173.600 173.600 174.993 -1.393 18048 4841 1 18 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.338 1.062 18048 4842 1 18 . 1 1 37 37 LEU CB C 37 40.500 40.500 42.228 -1.728 18048 4843 1 18 . 1 1 37 37 LEU H H 37 8.380 8.380 8.292 0.088 18048 4844 1 18 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.702 -0.432 18048 4845 1 18 . 1 1 38 38 PRO C C 38 174.400 174.400 176.484 -2.084 18048 4846 1 18 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.434 -1.034 18048 4847 1 18 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.838 -3.038 18048 4848 1 18 . 1 1 39 39 LYS N N 39 122.300 122.300 119.838 2.462 18048 4849 1 18 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.647 -0.267 18048 4850 1 18 . 1 1 39 39 LYS C C 39 172.300 172.300 176.596 -4.296 18048 4851 1 18 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.677 -2.977 18048 4852 1 18 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.560 -2.260 18048 4853 1 18 . 1 1 39 39 LYS H H 39 8.920 8.920 8.469 0.451 18048 4854 1 18 . 1 1 40 40 VAL N N 40 118.500 118.500 121.766 -3.266 18048 4855 1 18 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.319 -0.039 18048 4856 1 18 . 1 1 40 40 VAL C C 40 173.600 173.600 176.441 -2.841 18048 4857 1 18 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.026 -2.926 18048 4858 1 18 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.346 -1.946 18048 4859 1 18 . 1 1 40 40 VAL H H 40 7.000 7.000 7.808 -0.808 18048 4860 1 18 . 1 1 41 41 GLU N N 41 131.800 131.800 128.902 2.898 18048 4861 1 18 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.258 -0.308 18048 4862 1 18 . 1 1 41 41 GLU C C 41 174.700 174.700 178.225 -3.525 18048 4863 1 18 . 1 1 41 41 GLU CA C 41 57.700 57.700 60.009 -2.309 18048 4864 1 18 . 1 1 41 41 GLU CB C 41 27.100 27.100 30.157 -3.057 18048 4865 1 18 . 1 1 41 41 GLU H H 41 8.820 8.820 9.136 -0.316 18048 4866 1 18 . 1 1 42 42 ALA N N 42 117.700 117.700 121.708 -4.008 18048 4867 1 18 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.169 -0.379 18048 4868 1 18 . 1 1 42 42 ALA C C 42 178.000 178.000 180.045 -2.045 18048 4869 1 18 . 1 1 42 42 ALA CA C 42 52.900 52.900 55.129 -2.229 18048 4870 1 18 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.213 -2.813 18048 4871 1 18 . 1 1 42 42 ALA H H 42 8.630 8.630 8.647 -0.017 18048 4872 1 18 . 1 1 43 43 LYS N N 43 113.500 113.500 119.232 -5.732 18048 4873 1 18 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.151 -0.061 18048 4874 1 18 . 1 1 43 43 LYS C C 43 176.600 176.600 178.946 -2.346 18048 4875 1 18 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.909 -3.709 18048 4876 1 18 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.476 -2.476 18048 4877 1 18 . 1 1 43 43 LYS H H 43 6.530 6.530 7.687 -1.157 18048 4878 1 18 . 1 1 44 44 PHE N N 44 123.600 123.600 122.084 1.516 18048 4879 1 18 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.118 -0.178 18048 4880 1 18 . 1 1 44 44 PHE C C 44 173.300 173.300 177.235 -3.935 18048 4881 1 18 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.827 -1.527 18048 4882 1 18 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.213 -2.513 18048 4883 1 18 . 1 1 44 44 PHE H H 44 8.610 8.610 8.438 0.172 18048 4884 1 18 . 1 1 45 45 ILE N N 45 119.600 119.600 118.936 0.664 18048 4885 1 18 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.567 -0.197 18048 4886 1 18 . 1 1 45 45 ILE C C 45 174.700 174.700 177.696 -2.996 18048 4887 1 18 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.736 -2.236 18048 4888 1 18 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.691 -2.691 18048 4889 1 18 . 1 1 45 45 ILE H H 45 8.690 8.690 8.998 -0.308 18048 4890 1 18 . 1 1 46 46 ASN N N 46 115.900 115.900 119.012 -3.112 18048 4891 1 18 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.332 -0.082 18048 4892 1 18 . 1 1 46 46 ASN C C 46 173.800 173.800 177.217 -3.417 18048 4893 1 18 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.649 -2.849 18048 4894 1 18 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.409 -2.809 18048 4895 1 18 . 1 1 46 46 ASN H H 46 7.320 7.320 8.171 -0.851 18048 4896 1 18 . 1 1 47 47 TYR N N 47 120.900 120.900 120.673 0.227 18048 4897 1 18 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.190 0.100 18048 4898 1 18 . 1 1 47 47 TYR C C 47 174.400 174.400 177.634 -3.234 18048 4899 1 18 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.775 -3.575 18048 4900 1 18 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.547 -2.747 18048 4901 1 18 . 1 1 47 47 TYR H H 47 7.840 7.840 8.129 -0.289 18048 4902 1 18 . 1 1 48 48 VAL N N 48 117.800 117.800 120.350 -2.550 18048 4903 1 18 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.283 0.187 18048 4904 1 18 . 1 1 48 48 VAL C C 48 176.300 176.300 177.559 -1.259 18048 4905 1 18 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.889 -3.089 18048 4906 1 18 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.271 -2.871 18048 4907 1 18 . 1 1 48 48 VAL H H 48 8.260 8.260 8.210 0.050 18048 4908 1 18 . 1 1 49 49 LYS N N 49 119.700 119.700 119.307 0.393 18048 4909 1 18 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.967 -0.017 18048 4910 1 18 . 1 1 49 49 LYS C C 49 176.400 176.400 179.264 -2.864 18048 4911 1 18 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.835 -2.235 18048 4912 1 18 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.022 -2.122 18048 4913 1 18 . 1 1 49 49 LYS H H 49 8.070 8.070 8.413 -0.343 18048 4914 1 18 . 1 1 50 50 ASN N N 50 115.600 115.600 118.779 -3.179 18048 4915 1 18 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.451 -0.101 18048 4916 1 18 . 1 1 50 50 ASN C C 50 174.100 174.100 177.051 -2.951 18048 4917 1 18 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.744 -2.744 18048 4918 1 18 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.468 -2.168 18048 4919 1 18 . 1 1 50 50 ASN H H 50 8.080 8.080 8.214 -0.134 18048 4920 1 18 . 1 1 51 51 CYS N N 51 115.800 115.800 117.613 -1.813 18048 4921 1 18 . 1 1 51 51 CYS C C 51 172.800 172.800 174.995 -2.195 18048 4922 1 18 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.023 -3.223 18048 4923 1 18 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.384 -4.184 18048 4924 1 18 . 1 1 51 51 CYS H H 51 8.480 8.480 7.842 0.638 18048 4925 1 18 . 1 1 52 52 PHE N N 52 112.700 112.700 117.120 -4.420 18048 4926 1 18 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.566 0.054 18048 4927 1 18 . 1 1 52 52 PHE C C 52 171.900 171.900 174.081 -2.181 18048 4928 1 18 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.575 -1.975 18048 4929 1 18 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.541 -3.642 18048 4930 1 18 . 1 1 52 52 PHE H H 52 7.230 7.230 8.130 -0.900 18048 4931 1 18 . 1 1 53 53 ARG N N 53 114.500 114.500 118.524 -4.024 18048 4932 1 18 . 1 1 53 53 ARG C C 53 172.000 172.000 174.987 -2.987 18048 4933 1 18 . 1 1 53 53 ARG CA C 53 53.900 53.900 57.110 -3.210 18048 4934 1 18 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.101 -4.601 18048 4935 1 18 . 1 1 53 53 ARG H H 53 7.200 7.200 7.946 -0.746 18048 4936 1 18 . 1 1 54 54 MET N N 54 116.800 116.800 117.519 -0.719 18048 4937 1 18 . 1 1 54 54 MET HA H 54 4.430 4.430 4.370 0.060 18048 4938 1 18 . 1 1 54 54 MET C C 54 172.600 172.600 175.845 -3.245 18048 4939 1 18 . 1 1 54 54 MET CA C 54 52.800 52.800 56.195 -3.395 18048 4940 1 18 . 1 1 54 54 MET CB C 54 31.500 31.500 33.281 -1.781 18048 4941 1 18 . 1 1 54 54 MET H H 54 6.770 6.770 7.460 -0.690 18048 4942 1 18 . 1 1 55 55 THR N N 55 110.800 110.800 109.801 0.999 18048 4943 1 18 . 1 1 55 55 THR HA H 55 4.280 4.280 4.487 -0.207 18048 4944 1 18 . 1 1 55 55 THR C C 55 171.800 171.800 174.343 -2.543 18048 4945 1 18 . 1 1 55 55 THR CA C 55 58.400 58.400 61.331 -2.931 18048 4946 1 18 . 1 1 55 55 THR CB C 55 67.400 67.400 70.021 -2.621 18048 4947 1 18 . 1 1 55 55 THR H H 55 8.480 8.480 8.126 0.354 18048 4948 1 18 . 1 1 56 56 ASP N N 56 123.800 123.800 124.734 -0.934 18048 4949 1 18 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.587 -0.107 18048 4950 1 18 . 1 1 56 56 ASP C C 56 173.200 173.200 177.248 -4.048 18048 4951 1 18 . 1 1 56 56 ASP CA C 56 51.600 51.600 55.486 -3.886 18048 4952 1 18 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.041 -1.941 18048 4953 1 18 . 1 1 56 56 ASP H H 56 7.450 7.450 8.245 -0.795 18048 4954 1 18 . 1 1 57 57 GLN N N 57 126.600 126.600 124.414 2.186 18048 4955 1 18 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.027 -0.227 18048 4956 1 18 . 1 1 57 57 GLN C C 57 175.400 175.400 177.581 -2.181 18048 4957 1 18 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.402 -2.802 18048 4958 1 18 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.534 -2.934 18048 4959 1 18 . 1 1 57 57 GLN H H 57 8.880 8.880 8.964 -0.084 18048 4960 1 18 . 1 1 58 58 GLU N N 58 119.400 119.400 119.163 0.237 18048 4961 1 18 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.106 -0.126 18048 4962 1 18 . 1 1 58 58 GLU C C 58 175.900 175.900 178.232 -2.332 18048 4963 1 18 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.986 -2.086 18048 4964 1 18 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.683 -2.383 18048 4965 1 18 . 1 1 58 58 GLU H H 58 8.220 8.220 8.828 -0.608 18048 4966 1 18 . 1 1 59 59 ALA N N 59 123.300 123.300 122.235 1.065 18048 4967 1 18 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.279 -0.179 18048 4968 1 18 . 1 1 59 59 ALA C C 59 177.400 177.400 179.834 -2.434 18048 4969 1 18 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.571 -2.671 18048 4970 1 18 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.640 -2.740 18048 4971 1 18 . 1 1 59 59 ALA H H 59 7.710 7.710 7.546 0.164 18048 4972 1 18 . 1 1 60 60 ILE N N 60 117.300 117.300 119.919 -2.619 18048 4973 1 18 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.705 -0.205 18048 4974 1 18 . 1 1 60 60 ILE C C 60 175.100 175.100 178.418 -3.318 18048 4975 1 18 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.486 -1.685 18048 4976 1 18 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.115 -3.315 18048 4977 1 18 . 1 1 60 60 ILE H H 60 8.130 8.130 8.489 -0.359 18048 4978 1 18 . 1 1 61 61 GLN N N 61 118.800 118.800 119.330 -0.530 18048 4979 1 18 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.253 -0.073 18048 4980 1 18 . 1 1 61 61 GLN C C 61 175.900 175.900 177.905 -2.005 18048 4981 1 18 . 1 1 61 61 GLN CA C 61 56.300 56.300 59.165 -2.865 18048 4982 1 18 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.933 -2.933 18048 4983 1 18 . 1 1 61 61 GLN H H 61 8.000 8.000 8.863 -0.863 18048 4984 1 18 . 1 1 62 62 ASP N N 62 121.000 121.000 120.982 0.018 18048 4985 1 18 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.515 -0.125 18048 4986 1 18 . 1 1 62 62 ASP C C 62 177.200 177.200 178.895 -1.695 18048 4987 1 18 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.261 -2.261 18048 4988 1 18 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.118 -3.218 18048 4989 1 18 . 1 1 62 62 ASP H H 62 8.020 8.020 7.931 0.089 18048 4990 1 18 . 1 1 63 63 LEU N N 63 120.700 120.700 121.449 -0.749 18048 4991 1 18 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.466 -0.266 18048 4992 1 18 . 1 1 63 63 LEU C C 63 175.600 175.600 178.479 -2.879 18048 4993 1 18 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.153 -2.753 18048 4994 1 18 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.585 -2.185 18048 4995 1 18 . 1 1 63 63 LEU H H 63 8.220 8.220 8.520 -0.300 18048 4996 1 18 . 1 1 64 64 TRP N N 64 122.400 122.400 120.943 1.457 18048 4997 1 18 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.200 -0.170 18048 4998 1 18 . 1 1 64 64 TRP C C 64 173.500 173.500 178.884 -5.384 18048 4999 1 18 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.663 -4.463 18048 5000 1 18 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.539 -2.739 18048 5001 1 18 . 1 1 64 64 TRP H H 64 8.890 8.890 8.588 0.302 18048 5002 1 18 . 1 1 65 65 GLN N N 65 116.700 116.700 116.435 0.265 18048 5003 1 18 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.117 -0.827 18048 5004 1 18 . 1 1 65 65 GLN C C 65 176.200 176.200 178.171 -1.971 18048 5005 1 18 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.640 -2.740 18048 5006 1 18 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.023 -3.323 18048 5007 1 18 . 1 1 65 65 GLN H H 65 8.310 8.310 8.300 0.010 18048 5008 1 18 . 1 1 66 66 TRP N N 66 119.500 119.500 122.911 -3.411 18048 5009 1 18 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.561 -0.551 18048 5010 1 18 . 1 1 66 66 TRP C C 66 175.100 175.100 178.951 -3.851 18048 5011 1 18 . 1 1 66 66 TRP CA C 66 58.100 58.100 58.768 -0.668 18048 5012 1 18 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.439 -4.839 18048 5013 1 18 . 1 1 66 66 TRP H H 66 7.750 7.750 7.925 -0.175 18048 5014 1 18 . 1 1 67 67 ARG N N 67 122.300 122.300 119.770 2.530 18048 5015 1 18 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.253 -0.203 18048 5016 1 18 . 1 1 67 67 ARG C C 67 177.800 177.800 178.077 -0.277 18048 5017 1 18 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.571 -2.071 18048 5018 1 18 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.466 -5.166 18048 5019 1 18 . 1 1 67 67 ARG H H 67 8.640 8.640 8.343 0.297 18048 5020 1 18 . 1 1 68 68 LYS N N 68 118.400 118.400 117.445 0.955 18048 5021 1 18 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.487 -1.097 18048 5022 1 18 . 1 1 68 68 LYS C C 68 173.800 173.800 176.412 -2.612 18048 5023 1 18 . 1 1 68 68 LYS CA C 68 55.500 55.500 55.991 -0.491 18048 5024 1 18 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.311 -4.311 18048 5025 1 18 . 1 1 68 68 LYS H H 68 7.860 7.860 8.077 -0.217 18048 5026 1 18 . 1 1 69 69 SER N N 69 114.500 114.500 115.674 -1.174 18048 5027 1 18 . 1 1 69 69 SER HA H 69 4.200 4.200 4.641 -0.441 18048 5028 1 18 . 1 1 69 69 SER C C 69 170.300 170.300 173.409 -3.109 18048 5029 1 18 . 1 1 69 69 SER CA C 69 55.700 55.700 57.853 -2.153 18048 5030 1 18 . 1 1 69 69 SER CB C 69 61.500 61.500 63.685 -2.185 18048 5031 1 18 . 1 1 69 69 SER H H 69 7.060 7.060 7.524 -0.464 18048 5032 1 19 . 1 1 2 2 GLU N N 2 122.400 122.400 122.474 -0.074 18048 5033 1 19 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.301 -0.171 18048 5034 1 19 . 1 1 2 2 GLU C C 2 173.800 173.800 175.879 -2.079 18048 5035 1 19 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.373 -2.273 18048 5036 1 19 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.743 -3.443 18048 5037 1 19 . 1 1 2 2 GLU H H 2 8.490 8.490 8.549 -0.059 18048 5038 1 19 . 1 1 3 3 SER N N 3 116.300 116.300 114.821 1.479 18048 5039 1 19 . 1 1 3 3 SER HA H 3 4.240 4.240 4.503 -0.263 18048 5040 1 19 . 1 1 3 3 SER C C 3 171.500 171.500 174.492 -2.992 18048 5041 1 19 . 1 1 3 3 SER CA C 3 55.800 55.800 59.023 -3.223 18048 5042 1 19 . 1 1 3 3 SER CB C 3 60.900 60.900 64.609 -3.709 18048 5043 1 19 . 1 1 3 3 SER H H 3 8.210 8.210 7.932 0.278 18048 5044 1 19 . 1 1 4 4 PHE N N 4 121.700 121.700 120.106 1.594 18048 5045 1 19 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.140 0.340 18048 5046 1 19 . 1 1 4 4 PHE C C 4 172.800 172.800 174.606 -1.806 18048 5047 1 19 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.998 -3.998 18048 5048 1 19 . 1 1 4 4 PHE CB C 4 36.500 36.500 38.680 -2.180 18048 5049 1 19 . 1 1 4 4 PHE H H 4 8.040 8.040 7.742 0.298 18048 5050 1 19 . 1 1 5 5 LYS N N 5 122.600 122.600 121.081 1.519 18048 5051 1 19 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.529 -0.409 18048 5052 1 19 . 1 1 5 5 LYS C C 5 173.400 173.400 175.993 -2.593 18048 5053 1 19 . 1 1 5 5 LYS CA C 5 53.400 53.400 55.564 -2.164 18048 5054 1 19 . 1 1 5 5 LYS CB C 5 30.100 30.100 34.370 -4.270 18048 5055 1 19 . 1 1 5 5 LYS H H 5 7.990 7.990 8.436 -0.446 18048 5056 1 19 . 1 1 6 6 LYS N N 6 122.800 122.800 117.051 5.749 18048 5057 1 19 . 1 1 6 6 LYS C C 6 173.700 173.700 178.024 -4.324 18048 5058 1 19 . 1 1 6 6 LYS CA C 6 53.700 53.700 58.028 -4.328 18048 5059 1 19 . 1 1 6 6 LYS H H 6 8.160 8.160 8.781 -0.621 18048 5060 1 19 . 1 1 7 7 GLN N N 7 120.800 120.800 117.314 3.486 18048 5061 1 19 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.035 0.495 18048 5062 1 19 . 1 1 7 7 GLN C C 7 173.600 173.600 177.022 -3.422 18048 5063 1 19 . 1 1 7 7 GLN CA C 7 53.700 53.700 58.253 -4.553 18048 5064 1 19 . 1 1 7 7 GLN CB C 7 27.300 27.300 28.942 -1.641 18048 5065 1 19 . 1 1 7 7 GLN H H 7 8.240 8.240 8.590 -0.350 18048 5066 1 19 . 1 1 8 8 GLU N N 8 121.400 121.400 117.257 4.143 18048 5067 1 19 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.221 -0.021 18048 5068 1 19 . 1 1 8 8 GLU C C 8 173.100 173.100 177.064 -3.964 18048 5069 1 19 . 1 1 8 8 GLU CA C 8 52.900 52.900 58.056 -5.156 18048 5070 1 19 . 1 1 8 8 GLU CB C 8 27.600 27.600 28.850 -1.250 18048 5071 1 19 . 1 1 8 8 GLU H H 8 8.270 8.270 8.490 -0.220 18048 5072 1 19 . 1 1 9 9 LYS N N 9 123.000 123.000 119.150 3.850 18048 5073 1 19 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.465 -0.225 18048 5074 1 19 . 1 1 9 9 LYS C C 9 173.700 173.700 176.294 -2.594 18048 5075 1 19 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.981 -2.481 18048 5076 1 19 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.574 -2.474 18048 5077 1 19 . 1 1 9 9 LYS H H 9 8.390 8.390 7.803 0.587 18048 5078 1 19 . 1 1 10 10 THR N N 10 117.900 117.900 112.008 5.892 18048 5079 1 19 . 1 1 10 10 THR HA H 10 4.450 4.450 4.717 -0.267 18048 5080 1 19 . 1 1 10 10 THR C C 10 170.000 170.000 173.396 -3.396 18048 5081 1 19 . 1 1 10 10 THR CA C 10 57.000 57.000 58.959 -1.959 18048 5082 1 19 . 1 1 10 10 THR CB C 10 66.800 66.800 68.768 -1.968 18048 5083 1 19 . 1 1 10 10 THR H H 10 8.140 8.140 7.444 0.696 18048 5084 1 19 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.399 -0.089 18048 5085 1 19 . 1 1 11 11 PRO C C 11 173.800 173.800 176.921 -3.121 18048 5086 1 19 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.337 -2.937 18048 5087 1 19 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.073 -2.773 18048 5088 1 19 . 1 1 12 12 LYS N N 12 121.700 121.700 119.547 2.153 18048 5089 1 19 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.563 -0.353 18048 5090 1 19 . 1 1 12 12 LYS CA C 12 53.500 53.500 55.677 -2.177 18048 5091 1 19 . 1 1 12 12 LYS CB C 12 30.200 30.200 34.223 -4.023 18048 5092 1 19 . 1 1 12 12 LYS H H 12 8.380 8.380 7.700 0.680 18048 5093 1 19 . 1 1 13 13 THR N N 13 115.600 115.600 119.808 -4.208 18048 5094 1 19 . 1 1 13 13 THR HA H 13 4.360 4.360 4.707 -0.347 18048 5095 1 19 . 1 1 13 13 THR C C 13 169.800 169.800 172.332 -2.532 18048 5096 1 19 . 1 1 13 13 THR CA C 13 55.800 55.800 59.879 -4.079 18048 5097 1 19 . 1 1 13 13 THR CB C 13 67.800 67.800 69.147 -1.347 18048 5098 1 19 . 1 1 13 13 THR H H 13 7.940 7.940 8.381 -0.441 18048 5099 1 19 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.539 -0.149 18048 5100 1 19 . 1 1 14 14 PRO C C 14 174.000 174.000 176.450 -2.450 18048 5101 1 19 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.788 -2.488 18048 5102 1 19 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.500 -3.300 18048 5103 1 19 . 1 1 15 15 LYS N N 15 121.700 121.700 121.840 -0.140 18048 5104 1 19 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.312 -0.102 18048 5105 1 19 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.196 -2.696 18048 5106 1 19 . 1 1 15 15 LYS CB C 15 30.300 30.300 32.802 -2.502 18048 5107 1 19 . 1 1 15 15 LYS H H 15 8.360 8.360 8.544 -0.184 18048 5108 1 19 . 1 1 16 16 GLY N N 16 110.100 110.100 111.782 -1.682 18048 5109 1 19 . 1 1 16 16 GLY C C 16 168.900 168.900 173.108 -4.208 18048 5110 1 19 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.426 -2.726 18048 5111 1 19 . 1 1 16 16 GLY H H 16 8.220 8.220 8.075 0.145 18048 5112 1 19 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.198 0.182 18048 5113 1 19 . 1 1 17 17 PRO C C 17 174.600 174.600 176.556 -1.956 18048 5114 1 19 . 1 1 17 17 PRO CA C 17 60.500 60.500 63.219 -2.719 18048 5115 1 19 . 1 1 17 17 PRO CB C 17 29.400 29.400 31.709 -2.309 18048 5116 1 19 . 1 1 18 18 SER N N 18 116.500 116.500 112.719 3.781 18048 5117 1 19 . 1 1 18 18 SER HA H 18 4.420 4.420 4.199 0.221 18048 5118 1 19 . 1 1 18 18 SER C C 18 171.300 171.300 173.464 -2.164 18048 5119 1 19 . 1 1 18 18 SER CA C 18 55.900 55.900 59.355 -3.455 18048 5120 1 19 . 1 1 18 18 SER CB C 18 61.400 61.400 62.411 -1.011 18048 5121 1 19 . 1 1 18 18 SER H H 18 8.520 8.520 8.058 0.462 18048 5122 1 19 . 1 1 19 19 SER N N 19 117.700 117.700 111.824 5.876 18048 5123 1 19 . 1 1 19 19 SER HA H 19 4.370 4.370 4.513 -0.143 18048 5124 1 19 . 1 1 19 19 SER C C 19 172.600 172.600 174.158 -1.558 18048 5125 1 19 . 1 1 19 19 SER CA C 19 55.500 55.500 56.772 -1.272 18048 5126 1 19 . 1 1 19 19 SER CB C 19 61.400 61.400 63.671 -2.271 18048 5127 1 19 . 1 1 19 19 SER H H 19 8.490 8.490 7.571 0.919 18048 5128 1 19 . 1 1 20 20 VAL N N 20 120.500 120.500 123.918 -3.418 18048 5129 1 19 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.830 -0.340 18048 5130 1 19 . 1 1 20 20 VAL C C 20 174.300 174.300 177.620 -3.320 18048 5131 1 19 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.182 -1.682 18048 5132 1 19 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.637 -2.737 18048 5133 1 19 . 1 1 20 20 VAL H H 20 8.310 8.310 8.685 -0.375 18048 5134 1 19 . 1 1 21 21 GLU N N 21 118.700 118.700 118.924 -0.224 18048 5135 1 19 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.944 -0.314 18048 5136 1 19 . 1 1 21 21 GLU C C 21 176.300 176.300 178.479 -2.179 18048 5137 1 19 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.209 -2.309 18048 5138 1 19 . 1 1 21 21 GLU CB C 21 25.900 25.900 29.137 -3.236 18048 5139 1 19 . 1 1 21 21 GLU H H 21 8.110 8.110 7.747 0.363 18048 5140 1 19 . 1 1 22 22 ASP N N 22 120.400 120.400 120.770 -0.370 18048 5141 1 19 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.463 -0.203 18048 5142 1 19 . 1 1 22 22 ASP C C 22 175.600 175.600 177.925 -2.325 18048 5143 1 19 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.175 -2.975 18048 5144 1 19 . 1 1 22 22 ASP CB C 22 37.900 37.900 41.272 -3.372 18048 5145 1 19 . 1 1 22 22 ASP H H 22 7.810 7.810 7.875 -0.065 18048 5146 1 19 . 1 1 23 23 ILE N N 23 120.900 120.900 121.193 -0.293 18048 5147 1 19 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.597 -0.497 18048 5148 1 19 . 1 1 23 23 ILE C C 23 175.100 175.100 177.635 -2.535 18048 5149 1 19 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.110 -1.810 18048 5150 1 19 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.939 -3.639 18048 5151 1 19 . 1 1 23 23 ILE H H 23 7.670 7.670 7.483 0.187 18048 5152 1 19 . 1 1 24 24 LYS N N 24 120.000 120.000 119.673 0.327 18048 5153 1 19 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.952 -0.862 18048 5154 1 19 . 1 1 24 24 LYS C C 24 175.400 175.400 178.888 -3.488 18048 5155 1 19 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.588 -2.188 18048 5156 1 19 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.728 -2.128 18048 5157 1 19 . 1 1 24 24 LYS H H 24 8.060 8.060 8.188 -0.128 18048 5158 1 19 . 1 1 25 25 ALA N N 25 119.000 119.000 121.659 -2.659 18048 5159 1 19 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.115 -0.085 18048 5160 1 19 . 1 1 25 25 ALA C C 25 178.700 178.700 180.138 -1.438 18048 5161 1 19 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.168 -2.868 18048 5162 1 19 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.310 -3.610 18048 5163 1 19 . 1 1 25 25 ALA H H 25 7.410 7.410 7.875 -0.465 18048 5164 1 19 . 1 1 26 26 LYS N N 26 120.100 120.100 118.861 1.239 18048 5165 1 19 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.083 -0.033 18048 5166 1 19 . 1 1 26 26 LYS C C 26 177.600 177.600 178.939 -1.339 18048 5167 1 19 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.745 -2.145 18048 5168 1 19 . 1 1 26 26 LYS CB C 26 29.600 29.600 31.960 -2.360 18048 5169 1 19 . 1 1 26 26 LYS H H 26 7.760 7.760 8.314 -0.554 18048 5170 1 19 . 1 1 27 27 MET N N 27 120.900 120.900 119.760 1.140 18048 5171 1 19 . 1 1 27 27 MET HA H 27 4.220 4.220 4.019 0.201 18048 5172 1 19 . 1 1 27 27 MET C C 27 175.900 175.900 178.416 -2.516 18048 5173 1 19 . 1 1 27 27 MET CA C 27 58.000 58.000 59.853 -1.853 18048 5174 1 19 . 1 1 27 27 MET CB C 27 30.600 30.600 32.515 -1.915 18048 5175 1 19 . 1 1 27 27 MET H H 27 8.620 8.620 8.430 0.190 18048 5176 1 19 . 1 1 28 28 GLN N N 28 119.700 119.700 118.300 1.400 18048 5177 1 19 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.038 0.002 18048 5178 1 19 . 1 1 28 28 GLN C C 28 175.500 175.500 178.331 -2.831 18048 5179 1 19 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.509 -1.809 18048 5180 1 19 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.609 -1.909 18048 5181 1 19 . 1 1 28 28 GLN H H 28 8.970 8.970 8.138 0.832 18048 5182 1 19 . 1 1 29 29 ALA N N 29 120.900 120.900 122.502 -1.602 18048 5183 1 19 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.034 0.126 18048 5184 1 19 . 1 1 29 29 ALA C C 29 177.500 177.500 179.897 -2.397 18048 5185 1 19 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.148 -3.048 18048 5186 1 19 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.155 -3.355 18048 5187 1 19 . 1 1 29 29 ALA H H 29 7.940 7.940 8.133 -0.193 18048 5188 1 19 . 1 1 30 30 SER N N 30 112.900 112.900 115.339 -2.439 18048 5189 1 19 . 1 1 30 30 SER HA H 30 4.180 4.180 4.131 0.049 18048 5190 1 19 . 1 1 30 30 SER CA C 30 58.900 58.900 61.747 -2.847 18048 5191 1 19 . 1 1 30 30 SER CB C 30 60.000 60.000 63.199 -3.199 18048 5192 1 19 . 1 1 30 30 SER H H 30 7.780 7.780 7.978 -0.198 18048 5193 1 19 . 1 1 31 31 ILE N N 31 122.000 122.000 122.701 -0.701 18048 5194 1 19 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.664 0.186 18048 5195 1 19 . 1 1 31 31 ILE C C 31 173.900 173.900 177.640 -3.740 18048 5196 1 19 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.414 -3.914 18048 5197 1 19 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.929 -3.029 18048 5198 1 19 . 1 1 31 31 ILE H H 31 7.940 7.940 8.372 -0.432 18048 5199 1 19 . 1 1 32 32 GLU N N 32 121.800 121.800 118.942 2.858 18048 5200 1 19 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.113 -0.083 18048 5201 1 19 . 1 1 32 32 GLU C C 32 175.200 175.200 178.476 -3.276 18048 5202 1 19 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.749 -2.449 18048 5203 1 19 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.314 -2.814 18048 5204 1 19 . 1 1 32 32 GLU H H 32 8.140 8.140 8.180 -0.040 18048 5205 1 19 . 1 1 33 33 LYS N N 33 116.200 116.200 116.679 -0.479 18048 5206 1 19 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.387 -0.007 18048 5207 1 19 . 1 1 33 33 LYS C C 33 173.800 173.800 178.079 -4.279 18048 5208 1 19 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.432 -3.532 18048 5209 1 19 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.332 -3.832 18048 5210 1 19 . 1 1 33 33 LYS H H 33 7.350 7.350 7.852 -0.502 18048 5211 1 19 . 1 1 34 34 GLY N N 34 107.400 107.400 108.118 -0.718 18048 5212 1 19 . 1 1 34 34 GLY C C 34 172.400 172.400 174.961 -2.561 18048 5213 1 19 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.771 -3.171 18048 5214 1 19 . 1 1 34 34 GLY H H 34 7.830 7.830 8.139 -0.309 18048 5215 1 19 . 1 1 35 35 GLY N N 35 109.200 109.200 108.758 0.442 18048 5216 1 19 . 1 1 35 35 GLY C C 35 169.500 169.500 173.443 -3.943 18048 5217 1 19 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.432 -2.833 18048 5218 1 19 . 1 1 35 35 GLY H H 35 8.330 8.330 7.651 0.679 18048 5219 1 19 . 1 1 36 36 SER N N 36 112.700 112.700 113.762 -1.062 18048 5220 1 19 . 1 1 36 36 SER HA H 36 4.610 4.610 4.140 0.470 18048 5221 1 19 . 1 1 36 36 SER C C 36 171.000 171.000 173.584 -2.584 18048 5222 1 19 . 1 1 36 36 SER CA C 36 54.000 54.000 58.936 -4.936 18048 5223 1 19 . 1 1 36 36 SER CB C 36 62.300 62.300 63.477 -1.177 18048 5224 1 19 . 1 1 36 36 SER H H 36 8.150 8.150 8.307 -0.157 18048 5225 1 19 . 1 1 37 37 LEU N N 37 122.700 122.700 119.040 3.660 18048 5226 1 19 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.705 0.455 18048 5227 1 19 . 1 1 37 37 LEU C C 37 173.600 173.600 175.451 -1.851 18048 5228 1 19 . 1 1 37 37 LEU CA C 37 53.400 53.400 55.209 -1.809 18048 5229 1 19 . 1 1 37 37 LEU CB C 37 40.500 40.500 41.437 -0.937 18048 5230 1 19 . 1 1 37 37 LEU H H 37 8.380 8.380 8.179 0.201 18048 5231 1 19 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.468 -0.198 18048 5232 1 19 . 1 1 38 38 PRO C C 38 174.400 174.400 177.623 -3.223 18048 5233 1 19 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.881 -1.481 18048 5234 1 19 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.338 -2.538 18048 5235 1 19 . 1 1 39 39 LYS N N 39 122.300 122.300 118.273 4.027 18048 5236 1 19 . 1 1 39 39 LYS HA H 39 4.380 4.380 3.986 0.394 18048 5237 1 19 . 1 1 39 39 LYS C C 39 172.300 172.300 175.790 -3.490 18048 5238 1 19 . 1 1 39 39 LYS CA C 39 53.700 53.700 58.425 -4.725 18048 5239 1 19 . 1 1 39 39 LYS CB C 39 31.300 31.300 31.537 -0.237 18048 5240 1 19 . 1 1 39 39 LYS H H 39 8.920 8.920 8.419 0.501 18048 5241 1 19 . 1 1 40 40 VAL N N 40 118.500 118.500 120.593 -2.093 18048 5242 1 19 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.441 -0.161 18048 5243 1 19 . 1 1 40 40 VAL C C 40 173.600 173.600 176.171 -2.571 18048 5244 1 19 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.193 -2.092 18048 5245 1 19 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.007 -2.607 18048 5246 1 19 . 1 1 40 40 VAL H H 40 7.000 7.000 7.785 -0.785 18048 5247 1 19 . 1 1 41 41 GLU N N 41 131.800 131.800 128.764 3.036 18048 5248 1 19 . 1 1 41 41 GLU HA H 41 3.950 3.950 2.922 1.028 18048 5249 1 19 . 1 1 41 41 GLU C C 41 174.700 174.700 177.484 -2.784 18048 5250 1 19 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.714 -2.014 18048 5251 1 19 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.344 -1.244 18048 5252 1 19 . 1 1 41 41 GLU H H 41 8.820 8.820 8.799 0.021 18048 5253 1 19 . 1 1 42 42 ALA N N 42 117.700 117.700 121.596 -3.896 18048 5254 1 19 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.112 -0.322 18048 5255 1 19 . 1 1 42 42 ALA C C 42 178.000 178.000 179.954 -1.954 18048 5256 1 19 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.805 -1.905 18048 5257 1 19 . 1 1 42 42 ALA CB C 42 15.400 15.400 17.949 -2.549 18048 5258 1 19 . 1 1 42 42 ALA H H 42 8.630 8.630 8.315 0.315 18048 5259 1 19 . 1 1 43 43 LYS N N 43 113.500 113.500 119.461 -5.961 18048 5260 1 19 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.089 0.001 18048 5261 1 19 . 1 1 43 43 LYS C C 43 176.600 176.600 179.016 -2.416 18048 5262 1 19 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.594 -3.394 18048 5263 1 19 . 1 1 43 43 LYS CB C 43 30.000 30.000 31.958 -1.958 18048 5264 1 19 . 1 1 43 43 LYS H H 43 6.530 6.530 7.758 -1.228 18048 5265 1 19 . 1 1 44 44 PHE N N 44 123.600 123.600 121.949 1.651 18048 5266 1 19 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.319 -0.379 18048 5267 1 19 . 1 1 44 44 PHE C C 44 173.300 173.300 177.335 -4.035 18048 5268 1 19 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.898 -1.598 18048 5269 1 19 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.377 -2.677 18048 5270 1 19 . 1 1 44 44 PHE H H 44 8.610 8.610 8.344 0.266 18048 5271 1 19 . 1 1 45 45 ILE N N 45 119.600 119.600 119.495 0.105 18048 5272 1 19 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.463 -0.093 18048 5273 1 19 . 1 1 45 45 ILE C C 45 174.700 174.700 177.544 -2.844 18048 5274 1 19 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.805 -2.305 18048 5275 1 19 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.528 -2.528 18048 5276 1 19 . 1 1 45 45 ILE H H 45 8.690 8.690 8.721 -0.031 18048 5277 1 19 . 1 1 46 46 ASN N N 46 115.900 115.900 118.612 -2.712 18048 5278 1 19 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.331 -0.081 18048 5279 1 19 . 1 1 46 46 ASN C C 46 173.800 173.800 177.018 -3.218 18048 5280 1 19 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.454 -2.654 18048 5281 1 19 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.344 -2.744 18048 5282 1 19 . 1 1 46 46 ASN H H 46 7.320 7.320 8.271 -0.951 18048 5283 1 19 . 1 1 47 47 TYR N N 47 120.900 120.900 121.261 -0.361 18048 5284 1 19 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.212 0.078 18048 5285 1 19 . 1 1 47 47 TYR C C 47 174.400 174.400 177.765 -3.365 18048 5286 1 19 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.536 -3.336 18048 5287 1 19 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.378 -2.578 18048 5288 1 19 . 1 1 47 47 TYR H H 47 7.840 7.840 8.238 -0.398 18048 5289 1 19 . 1 1 48 48 VAL N N 48 117.800 117.800 119.761 -1.961 18048 5290 1 19 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.342 0.128 18048 5291 1 19 . 1 1 48 48 VAL C C 48 176.300 176.300 177.709 -1.409 18048 5292 1 19 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.783 -2.983 18048 5293 1 19 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.347 -2.947 18048 5294 1 19 . 1 1 48 48 VAL H H 48 8.260 8.260 8.297 -0.037 18048 5295 1 19 . 1 1 49 49 LYS N N 49 119.700 119.700 118.891 0.809 18048 5296 1 19 . 1 1 49 49 LYS HA H 49 3.950 3.950 3.850 0.100 18048 5297 1 19 . 1 1 49 49 LYS C C 49 176.400 176.400 179.287 -2.887 18048 5298 1 19 . 1 1 49 49 LYS CA C 49 57.600 57.600 60.068 -2.468 18048 5299 1 19 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.324 -2.424 18048 5300 1 19 . 1 1 49 49 LYS H H 49 8.070 8.070 8.292 -0.222 18048 5301 1 19 . 1 1 50 50 ASN N N 50 115.600 115.600 115.927 -0.327 18048 5302 1 19 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.603 -0.253 18048 5303 1 19 . 1 1 50 50 ASN C C 50 174.100 174.100 176.976 -2.876 18048 5304 1 19 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.428 -2.428 18048 5305 1 19 . 1 1 50 50 ASN CB C 50 36.300 36.300 39.232 -2.932 18048 5306 1 19 . 1 1 50 50 ASN H H 50 8.080 8.080 8.362 -0.282 18048 5307 1 19 . 1 1 51 51 CYS N N 51 115.800 115.800 116.329 -0.529 18048 5308 1 19 . 1 1 51 51 CYS C C 51 172.800 172.800 174.214 -1.414 18048 5309 1 19 . 1 1 51 51 CYS CA C 51 58.800 58.800 60.231 -1.431 18048 5310 1 19 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.908 -4.708 18048 5311 1 19 . 1 1 51 51 CYS H H 51 8.480 8.480 7.898 0.582 18048 5312 1 19 . 1 1 52 52 PHE N N 52 112.700 112.700 116.259 -3.559 18048 5313 1 19 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.516 0.104 18048 5314 1 19 . 1 1 52 52 PHE C C 52 171.900 171.900 174.056 -2.156 18048 5315 1 19 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.416 -2.816 18048 5316 1 19 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.872 -3.972 18048 5317 1 19 . 1 1 52 52 PHE H H 52 7.230 7.230 7.707 -0.477 18048 5318 1 19 . 1 1 53 53 ARG N N 53 114.500 114.500 118.422 -3.922 18048 5319 1 19 . 1 1 53 53 ARG C C 53 172.000 172.000 175.736 -3.736 18048 5320 1 19 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.762 -2.862 18048 5321 1 19 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.458 -3.958 18048 5322 1 19 . 1 1 53 53 ARG H H 53 7.200 7.200 8.054 -0.854 18048 5323 1 19 . 1 1 54 54 MET N N 54 116.800 116.800 119.079 -2.279 18048 5324 1 19 . 1 1 54 54 MET HA H 54 4.430 4.430 4.329 0.101 18048 5325 1 19 . 1 1 54 54 MET C C 54 172.600 172.600 178.038 -5.438 18048 5326 1 19 . 1 1 54 54 MET CA C 54 52.800 52.800 55.939 -3.139 18048 5327 1 19 . 1 1 54 54 MET CB C 54 31.500 31.500 31.935 -0.435 18048 5328 1 19 . 1 1 54 54 MET H H 54 6.770 6.770 8.277 -1.507 18048 5329 1 19 . 1 1 55 55 THR N N 55 110.800 110.800 108.364 2.436 18048 5330 1 19 . 1 1 55 55 THR HA H 55 4.280 4.280 3.911 0.369 18048 5331 1 19 . 1 1 55 55 THR C C 55 171.800 171.800 174.404 -2.604 18048 5332 1 19 . 1 1 55 55 THR CA C 55 58.400 58.400 64.110 -5.710 18048 5333 1 19 . 1 1 55 55 THR CB C 55 67.400 67.400 67.858 -0.457 18048 5334 1 19 . 1 1 55 55 THR H H 55 8.480 8.480 8.359 0.121 18048 5335 1 19 . 1 1 56 56 ASP N N 56 123.800 123.800 123.571 0.229 18048 5336 1 19 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.898 -0.418 18048 5337 1 19 . 1 1 56 56 ASP C C 56 173.200 173.200 176.147 -2.947 18048 5338 1 19 . 1 1 56 56 ASP CA C 56 51.600 51.600 53.263 -1.663 18048 5339 1 19 . 1 1 56 56 ASP CB C 56 39.100 39.100 42.291 -3.191 18048 5340 1 19 . 1 1 56 56 ASP H H 56 7.450 7.450 7.916 -0.466 18048 5341 1 19 . 1 1 57 57 GLN N N 57 126.600 126.600 124.795 1.805 18048 5342 1 19 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.008 -0.208 18048 5343 1 19 . 1 1 57 57 GLN C C 57 175.400 175.400 177.636 -2.236 18048 5344 1 19 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.462 -2.862 18048 5345 1 19 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.778 -3.178 18048 5346 1 19 . 1 1 57 57 GLN H H 57 8.880 8.880 9.000 -0.120 18048 5347 1 19 . 1 1 58 58 GLU N N 58 119.400 119.400 117.300 2.100 18048 5348 1 19 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.105 -0.125 18048 5349 1 19 . 1 1 58 58 GLU C C 58 175.900 175.900 178.190 -2.290 18048 5350 1 19 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.057 -2.157 18048 5351 1 19 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.910 -2.610 18048 5352 1 19 . 1 1 58 58 GLU H H 58 8.220 8.220 8.953 -0.733 18048 5353 1 19 . 1 1 59 59 ALA N N 59 123.300 123.300 122.228 1.072 18048 5354 1 19 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.236 -0.136 18048 5355 1 19 . 1 1 59 59 ALA C C 59 177.400 177.400 179.566 -2.166 18048 5356 1 19 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.419 -2.519 18048 5357 1 19 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.655 -2.755 18048 5358 1 19 . 1 1 59 59 ALA H H 59 7.710 7.710 7.457 0.253 18048 5359 1 19 . 1 1 60 60 ILE N N 60 117.300 117.300 120.109 -2.809 18048 5360 1 19 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.664 -0.164 18048 5361 1 19 . 1 1 60 60 ILE C C 60 175.100 175.100 178.282 -3.182 18048 5362 1 19 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.481 -1.681 18048 5363 1 19 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.071 -3.271 18048 5364 1 19 . 1 1 60 60 ILE H H 60 8.130 8.130 8.339 -0.209 18048 5365 1 19 . 1 1 61 61 GLN N N 61 118.800 118.800 118.503 0.297 18048 5366 1 19 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.228 -0.048 18048 5367 1 19 . 1 1 61 61 GLN C C 61 175.900 175.900 177.974 -2.074 18048 5368 1 19 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.755 -2.455 18048 5369 1 19 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.877 -2.877 18048 5370 1 19 . 1 1 61 61 GLN H H 61 8.000 8.000 8.636 -0.636 18048 5371 1 19 . 1 1 62 62 ASP N N 62 121.000 121.000 121.373 -0.373 18048 5372 1 19 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.485 -0.095 18048 5373 1 19 . 1 1 62 62 ASP C C 62 177.200 177.200 178.738 -1.538 18048 5374 1 19 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.217 -2.217 18048 5375 1 19 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.839 -2.939 18048 5376 1 19 . 1 1 62 62 ASP H H 62 8.020 8.020 7.809 0.211 18048 5377 1 19 . 1 1 63 63 LEU N N 63 120.700 120.700 120.643 0.057 18048 5378 1 19 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.300 -0.100 18048 5379 1 19 . 1 1 63 63 LEU C C 63 175.600 175.600 178.746 -3.146 18048 5380 1 19 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.891 -2.491 18048 5381 1 19 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.031 -2.631 18048 5382 1 19 . 1 1 63 63 LEU H H 63 8.220 8.220 8.461 -0.241 18048 5383 1 19 . 1 1 64 64 TRP N N 64 122.400 122.400 121.510 0.890 18048 5384 1 19 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.930 0.100 18048 5385 1 19 . 1 1 64 64 TRP C C 64 173.500 173.500 178.049 -4.549 18048 5386 1 19 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.482 -4.282 18048 5387 1 19 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.904 -3.104 18048 5388 1 19 . 1 1 64 64 TRP H H 64 8.890 8.890 8.582 0.308 18048 5389 1 19 . 1 1 65 65 GLN N N 65 116.700 116.700 117.937 -1.237 18048 5390 1 19 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.881 -0.591 18048 5391 1 19 . 1 1 65 65 GLN C C 65 176.200 176.200 178.280 -2.080 18048 5392 1 19 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.554 -3.655 18048 5393 1 19 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.198 -3.498 18048 5394 1 19 . 1 1 65 65 GLN H H 65 8.310 8.310 8.427 -0.117 18048 5395 1 19 . 1 1 66 66 TRP N N 66 119.500 119.500 121.361 -1.861 18048 5396 1 19 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.308 -0.298 18048 5397 1 19 . 1 1 66 66 TRP C C 66 175.100 175.100 178.730 -3.630 18048 5398 1 19 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.873 -1.773 18048 5399 1 19 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.707 -5.107 18048 5400 1 19 . 1 1 66 66 TRP H H 66 7.750 7.750 8.167 -0.417 18048 5401 1 19 . 1 1 67 67 ARG N N 67 122.300 122.300 120.769 1.531 18048 5402 1 19 . 1 1 67 67 ARG HA H 67 4.050 4.050 3.889 0.161 18048 5403 1 19 . 1 1 67 67 ARG C C 67 177.800 177.800 178.806 -1.006 18048 5404 1 19 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.534 -2.034 18048 5405 1 19 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.502 -4.202 18048 5406 1 19 . 1 1 67 67 ARG H H 67 8.640 8.640 8.552 0.088 18048 5407 1 19 . 1 1 68 68 LYS N N 68 118.400 118.400 118.898 -0.498 18048 5408 1 19 . 1 1 68 68 LYS HA H 68 3.390 3.390 3.896 -0.506 18048 5409 1 19 . 1 1 68 68 LYS C C 68 173.800 173.800 177.599 -3.799 18048 5410 1 19 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.574 -2.074 18048 5411 1 19 . 1 1 68 68 LYS CB C 68 28.000 28.000 31.548 -3.548 18048 5412 1 19 . 1 1 68 68 LYS H H 68 7.860 7.860 7.867 -0.007 18048 5413 1 19 . 1 1 69 69 SER N N 69 114.500 114.500 112.761 1.739 18048 5414 1 19 . 1 1 69 69 SER HA H 69 4.200 4.200 4.237 -0.037 18048 5415 1 19 . 1 1 69 69 SER C C 69 170.300 170.300 174.126 -3.826 18048 5416 1 19 . 1 1 69 69 SER CA C 69 55.700 55.700 58.698 -2.998 18048 5417 1 19 . 1 1 69 69 SER CB C 69 61.500 61.500 63.772 -2.272 18048 5418 1 19 . 1 1 69 69 SER H H 69 7.060 7.060 7.457 -0.398 18048 5419 1 22 . 1 1 2 2 GLU N N 2 122.400 122.400 119.937 2.463 18048 5420 1 22 . 1 1 2 2 GLU HA H 2 4.130 4.130 3.832 0.298 18048 5421 1 22 . 1 1 2 2 GLU C C 2 173.800 173.800 175.703 -1.903 18048 5422 1 22 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.000 -2.900 18048 5423 1 22 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.343 -2.042 18048 5424 1 22 . 1 1 2 2 GLU H H 2 8.490 8.490 8.433 0.057 18048 5425 1 22 . 1 1 3 3 SER N N 3 116.300 116.300 114.347 1.953 18048 5426 1 22 . 1 1 3 3 SER HA H 3 4.240 4.240 4.570 -0.330 18048 5427 1 22 . 1 1 3 3 SER C C 3 171.500 171.500 174.280 -2.780 18048 5428 1 22 . 1 1 3 3 SER CA C 3 55.800 55.800 58.864 -3.064 18048 5429 1 22 . 1 1 3 3 SER CB C 3 60.900 60.900 63.794 -2.894 18048 5430 1 22 . 1 1 3 3 SER H H 3 8.210 8.210 7.711 0.499 18048 5431 1 22 . 1 1 4 4 PHE N N 4 121.700 121.700 119.869 1.831 18048 5432 1 22 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.233 0.247 18048 5433 1 22 . 1 1 4 4 PHE C C 4 172.800 172.800 176.260 -3.460 18048 5434 1 22 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.606 -3.606 18048 5435 1 22 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.057 -2.557 18048 5436 1 22 . 1 1 4 4 PHE H H 4 8.040 8.040 7.788 0.252 18048 5437 1 22 . 1 1 5 5 LYS N N 5 122.600 122.600 121.392 1.208 18048 5438 1 22 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.228 -0.108 18048 5439 1 22 . 1 1 5 5 LYS C C 5 173.400 173.400 176.525 -3.125 18048 5440 1 22 . 1 1 5 5 LYS CA C 5 53.400 53.400 57.666 -4.266 18048 5441 1 22 . 1 1 5 5 LYS CB C 5 30.100 30.100 32.666 -2.566 18048 5442 1 22 . 1 1 5 5 LYS H H 5 7.990 7.990 8.569 -0.579 18048 5443 1 22 . 1 1 6 6 LYS N N 6 122.800 122.800 121.152 1.648 18048 5444 1 22 . 1 1 6 6 LYS C C 6 173.700 173.700 175.047 -1.347 18048 5445 1 22 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.058 -3.358 18048 5446 1 22 . 1 1 6 6 LYS H H 6 8.160 8.160 8.087 0.073 18048 5447 1 22 . 1 1 7 7 GLN N N 7 120.800 120.800 119.550 1.250 18048 5448 1 22 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.727 -0.197 18048 5449 1 22 . 1 1 7 7 GLN C C 7 173.600 173.600 173.929 -0.329 18048 5450 1 22 . 1 1 7 7 GLN CA C 7 53.700 53.700 54.994 -1.294 18048 5451 1 22 . 1 1 7 7 GLN CB C 7 27.300 27.300 31.182 -3.882 18048 5452 1 22 . 1 1 7 7 GLN H H 7 8.240 8.240 8.775 -0.535 18048 5453 1 22 . 1 1 8 8 GLU N N 8 121.400 121.400 121.557 -0.157 18048 5454 1 22 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.605 -0.405 18048 5455 1 22 . 1 1 8 8 GLU C C 8 173.100 173.100 174.928 -1.828 18048 5456 1 22 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.181 -3.281 18048 5457 1 22 . 1 1 8 8 GLU CB C 8 27.600 27.600 31.872 -4.272 18048 5458 1 22 . 1 1 8 8 GLU H H 8 8.270 8.270 8.769 -0.499 18048 5459 1 22 . 1 1 9 9 LYS N N 9 123.000 123.000 122.156 0.844 18048 5460 1 22 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.584 -0.344 18048 5461 1 22 . 1 1 9 9 LYS C C 9 173.700 173.700 176.843 -3.143 18048 5462 1 22 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.867 -2.366 18048 5463 1 22 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.374 -3.274 18048 5464 1 22 . 1 1 9 9 LYS H H 9 8.390 8.390 8.474 -0.084 18048 5465 1 22 . 1 1 10 10 THR N N 10 117.900 117.900 111.621 6.279 18048 5466 1 22 . 1 1 10 10 THR HA H 10 4.450 4.450 4.068 0.382 18048 5467 1 22 . 1 1 10 10 THR C C 10 170.000 170.000 173.534 -3.534 18048 5468 1 22 . 1 1 10 10 THR CA C 10 57.000 57.000 61.453 -4.453 18048 5469 1 22 . 1 1 10 10 THR CB C 10 66.800 66.800 68.193 -1.393 18048 5470 1 22 . 1 1 10 10 THR H H 10 8.140 8.140 8.524 -0.384 18048 5471 1 22 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.350 -0.040 18048 5472 1 22 . 1 1 11 11 PRO C C 11 173.800 173.800 177.750 -3.950 18048 5473 1 22 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.264 -2.864 18048 5474 1 22 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.217 -2.917 18048 5475 1 22 . 1 1 12 12 LYS N N 12 121.700 121.700 123.564 -1.864 18048 5476 1 22 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.589 -0.379 18048 5477 1 22 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.301 -2.801 18048 5478 1 22 . 1 1 12 12 LYS CB C 12 30.200 30.200 31.025 -0.825 18048 5479 1 22 . 1 1 12 12 LYS H H 12 8.380 8.380 8.541 -0.161 18048 5480 1 22 . 1 1 13 13 THR N N 13 115.600 115.600 118.410 -2.810 18048 5481 1 22 . 1 1 13 13 THR HA H 13 4.360 4.360 4.667 -0.307 18048 5482 1 22 . 1 1 13 13 THR C C 13 169.800 169.800 172.916 -3.116 18048 5483 1 22 . 1 1 13 13 THR CA C 13 55.800 55.800 60.091 -4.291 18048 5484 1 22 . 1 1 13 13 THR CB C 13 67.800 67.800 68.820 -1.020 18048 5485 1 22 . 1 1 13 13 THR H H 13 7.940 7.940 7.644 0.296 18048 5486 1 22 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.575 -0.185 18048 5487 1 22 . 1 1 14 14 PRO C C 14 174.000 174.000 176.642 -2.642 18048 5488 1 22 . 1 1 14 14 PRO CA C 14 60.300 60.300 63.133 -2.833 18048 5489 1 22 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.494 -3.294 18048 5490 1 22 . 1 1 15 15 LYS N N 15 121.700 121.700 122.208 -0.508 18048 5491 1 22 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.426 -0.216 18048 5492 1 22 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.219 -2.719 18048 5493 1 22 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.257 -2.957 18048 5494 1 22 . 1 1 15 15 LYS H H 15 8.360 8.360 8.517 -0.157 18048 5495 1 22 . 1 1 16 16 GLY N N 16 110.100 110.100 110.101 -0.001 18048 5496 1 22 . 1 1 16 16 GLY C C 16 168.900 168.900 172.562 -3.662 18048 5497 1 22 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.408 -2.708 18048 5498 1 22 . 1 1 16 16 GLY H H 16 8.220 8.220 7.819 0.401 18048 5499 1 22 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.458 -0.078 18048 5500 1 22 . 1 1 17 17 PRO C C 17 174.600 174.600 175.802 -1.202 18048 5501 1 22 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.648 -2.148 18048 5502 1 22 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.820 -3.420 18048 5503 1 22 . 1 1 18 18 SER N N 18 116.500 116.500 112.651 3.849 18048 5504 1 22 . 1 1 18 18 SER HA H 18 4.420 4.420 4.514 -0.094 18048 5505 1 22 . 1 1 18 18 SER C C 18 171.300 171.300 172.747 -1.447 18048 5506 1 22 . 1 1 18 18 SER CA C 18 55.900 55.900 58.175 -2.275 18048 5507 1 22 . 1 1 18 18 SER CB C 18 61.400 61.400 63.104 -1.704 18048 5508 1 22 . 1 1 18 18 SER H H 18 8.520 8.520 8.189 0.331 18048 5509 1 22 . 1 1 19 19 SER N N 19 117.700 117.700 114.727 2.973 18048 5510 1 22 . 1 1 19 19 SER HA H 19 4.370 4.370 4.148 0.222 18048 5511 1 22 . 1 1 19 19 SER C C 19 172.600 172.600 174.029 -1.429 18048 5512 1 22 . 1 1 19 19 SER CA C 19 55.500 55.500 56.111 -0.611 18048 5513 1 22 . 1 1 19 19 SER CB C 19 61.400 61.400 63.397 -1.997 18048 5514 1 22 . 1 1 19 19 SER H H 19 8.490 8.490 7.218 1.272 18048 5515 1 22 . 1 1 20 20 VAL N N 20 120.500 120.500 122.536 -2.036 18048 5516 1 22 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.576 -0.086 18048 5517 1 22 . 1 1 20 20 VAL C C 20 174.300 174.300 177.002 -2.702 18048 5518 1 22 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.782 -2.282 18048 5519 1 22 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.273 -2.373 18048 5520 1 22 . 1 1 20 20 VAL H H 20 8.310 8.310 8.400 -0.090 18048 5521 1 22 . 1 1 21 21 GLU N N 21 118.700 118.700 118.250 0.450 18048 5522 1 22 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.922 -0.292 18048 5523 1 22 . 1 1 21 21 GLU C C 21 176.300 176.300 178.610 -2.310 18048 5524 1 22 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.844 -1.944 18048 5525 1 22 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.499 -2.599 18048 5526 1 22 . 1 1 21 21 GLU H H 21 8.110 8.110 8.574 -0.464 18048 5527 1 22 . 1 1 22 22 ASP N N 22 120.400 120.400 120.470 -0.070 18048 5528 1 22 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.450 -0.190 18048 5529 1 22 . 1 1 22 22 ASP C C 22 175.600 175.600 178.070 -2.470 18048 5530 1 22 . 1 1 22 22 ASP CA C 22 54.200 54.200 56.763 -2.562 18048 5531 1 22 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.760 -2.860 18048 5532 1 22 . 1 1 22 22 ASP H H 22 7.810 7.810 7.999 -0.189 18048 5533 1 22 . 1 1 23 23 ILE N N 23 120.900 120.900 120.840 0.060 18048 5534 1 22 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.498 -0.398 18048 5535 1 22 . 1 1 23 23 ILE C C 23 175.100 175.100 178.097 -2.997 18048 5536 1 22 . 1 1 23 23 ILE CA C 23 62.300 62.300 65.882 -3.582 18048 5537 1 22 . 1 1 23 23 ILE CB C 23 34.300 34.300 38.001 -3.701 18048 5538 1 22 . 1 1 23 23 ILE H H 23 7.670 7.670 7.366 0.304 18048 5539 1 22 . 1 1 24 24 LYS N N 24 120.000 120.000 119.070 0.930 18048 5540 1 22 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.074 -0.984 18048 5541 1 22 . 1 1 24 24 LYS C C 24 175.400 175.400 179.042 -3.642 18048 5542 1 22 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.964 -2.564 18048 5543 1 22 . 1 1 24 24 LYS CB C 24 29.600 29.600 32.185 -2.585 18048 5544 1 22 . 1 1 24 24 LYS H H 24 8.060 8.060 8.043 0.017 18048 5545 1 22 . 1 1 25 25 ALA N N 25 119.000 119.000 122.537 -3.537 18048 5546 1 22 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.115 -0.085 18048 5547 1 22 . 1 1 25 25 ALA C C 25 178.700 178.700 179.640 -0.940 18048 5548 1 22 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.242 -2.942 18048 5549 1 22 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.226 -3.526 18048 5550 1 22 . 1 1 25 25 ALA H H 25 7.410 7.410 7.897 -0.487 18048 5551 1 22 . 1 1 26 26 LYS N N 26 120.100 120.100 118.382 1.718 18048 5552 1 22 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.005 0.045 18048 5553 1 22 . 1 1 26 26 LYS C C 26 177.600 177.600 179.124 -1.524 18048 5554 1 22 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.702 -3.102 18048 5555 1 22 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.389 -2.789 18048 5556 1 22 . 1 1 26 26 LYS H H 26 7.760 7.760 8.341 -0.581 18048 5557 1 22 . 1 1 27 27 MET N N 27 120.900 120.900 119.606 1.294 18048 5558 1 22 . 1 1 27 27 MET HA H 27 4.220 4.220 4.268 -0.048 18048 5559 1 22 . 1 1 27 27 MET C C 27 175.900 175.900 178.462 -2.562 18048 5560 1 22 . 1 1 27 27 MET CA C 27 58.000 58.000 59.769 -1.769 18048 5561 1 22 . 1 1 27 27 MET CB C 27 30.600 30.600 32.871 -2.272 18048 5562 1 22 . 1 1 27 27 MET H H 27 8.620 8.620 8.369 0.251 18048 5563 1 22 . 1 1 28 28 GLN N N 28 119.700 119.700 118.284 1.416 18048 5564 1 22 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.062 -0.022 18048 5565 1 22 . 1 1 28 28 GLN C C 28 175.500 175.500 178.494 -2.994 18048 5566 1 22 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.413 -1.713 18048 5567 1 22 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.642 -1.942 18048 5568 1 22 . 1 1 28 28 GLN H H 28 8.970 8.970 8.123 0.847 18048 5569 1 22 . 1 1 29 29 ALA N N 29 120.900 120.900 122.616 -1.716 18048 5570 1 22 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.016 0.144 18048 5571 1 22 . 1 1 29 29 ALA C C 29 177.500 177.500 179.976 -2.476 18048 5572 1 22 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.150 -3.050 18048 5573 1 22 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.215 -3.416 18048 5574 1 22 . 1 1 29 29 ALA H H 29 7.940 7.940 8.532 -0.592 18048 5575 1 22 . 1 1 30 30 SER N N 30 112.900 112.900 115.678 -2.778 18048 5576 1 22 . 1 1 30 30 SER HA H 30 4.180 4.180 4.194 -0.014 18048 5577 1 22 . 1 1 30 30 SER CA C 30 58.900 58.900 62.768 -3.868 18048 5578 1 22 . 1 1 30 30 SER CB C 30 60.000 60.000 63.099 -3.099 18048 5579 1 22 . 1 1 30 30 SER H H 30 7.780 7.780 7.966 -0.186 18048 5580 1 22 . 1 1 31 31 ILE N N 31 122.000 122.000 121.116 0.884 18048 5581 1 22 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.802 0.048 18048 5582 1 22 . 1 1 31 31 ILE C C 31 173.900 173.900 177.510 -3.610 18048 5583 1 22 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.756 -3.256 18048 5584 1 22 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.094 -3.194 18048 5585 1 22 . 1 1 31 31 ILE H H 31 7.940 7.940 8.261 -0.321 18048 5586 1 22 . 1 1 32 32 GLU N N 32 121.800 121.800 117.829 3.971 18048 5587 1 22 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.299 -0.269 18048 5588 1 22 . 1 1 32 32 GLU C C 32 175.200 175.200 177.979 -2.779 18048 5589 1 22 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.188 -1.888 18048 5590 1 22 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.195 -3.695 18048 5591 1 22 . 1 1 32 32 GLU H H 32 8.140 8.140 8.075 0.065 18048 5592 1 22 . 1 1 33 33 LYS N N 33 116.200 116.200 116.713 -0.513 18048 5593 1 22 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.431 -0.051 18048 5594 1 22 . 1 1 33 33 LYS C C 33 173.800 173.800 176.453 -2.653 18048 5595 1 22 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.555 -3.655 18048 5596 1 22 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.922 -4.422 18048 5597 1 22 . 1 1 33 33 LYS H H 33 7.350 7.350 8.163 -0.813 18048 5598 1 22 . 1 1 34 34 GLY N N 34 107.400 107.400 107.960 -0.560 18048 5599 1 22 . 1 1 34 34 GLY C C 34 172.400 172.400 173.640 -1.240 18048 5600 1 22 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.740 -2.140 18048 5601 1 22 . 1 1 34 34 GLY H H 34 7.830 7.830 7.689 0.141 18048 5602 1 22 . 1 1 35 35 GLY N N 35 109.200 109.200 110.636 -1.436 18048 5603 1 22 . 1 1 35 35 GLY C C 35 169.500 169.500 172.802 -3.302 18048 5604 1 22 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.589 -3.989 18048 5605 1 22 . 1 1 35 35 GLY H H 35 8.330 8.330 7.890 0.440 18048 5606 1 22 . 1 1 36 36 SER N N 36 112.700 112.700 119.622 -6.922 18048 5607 1 22 . 1 1 36 36 SER HA H 36 4.610 4.610 4.613 -0.003 18048 5608 1 22 . 1 1 36 36 SER C C 36 171.000 171.000 174.265 -3.265 18048 5609 1 22 . 1 1 36 36 SER CA C 36 54.000 54.000 58.200 -4.200 18048 5610 1 22 . 1 1 36 36 SER CB C 36 62.300 62.300 64.116 -1.816 18048 5611 1 22 . 1 1 36 36 SER H H 36 8.150 8.150 8.278 -0.128 18048 5612 1 22 . 1 1 37 37 LEU N N 37 122.700 122.700 124.663 -1.963 18048 5613 1 22 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.495 -0.335 18048 5614 1 22 . 1 1 37 37 LEU C C 37 173.600 173.600 175.634 -2.034 18048 5615 1 22 . 1 1 37 37 LEU CA C 37 53.400 53.400 52.057 1.343 18048 5616 1 22 . 1 1 37 37 LEU CB C 37 40.500 40.500 43.079 -2.579 18048 5617 1 22 . 1 1 37 37 LEU H H 37 8.380 8.380 8.118 0.262 18048 5618 1 22 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.676 -0.406 18048 5619 1 22 . 1 1 38 38 PRO C C 38 174.400 174.400 176.110 -1.710 18048 5620 1 22 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.509 -1.109 18048 5621 1 22 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.892 -3.092 18048 5622 1 22 . 1 1 39 39 LYS N N 39 122.300 122.300 119.443 2.857 18048 5623 1 22 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.341 0.039 18048 5624 1 22 . 1 1 39 39 LYS C C 39 172.300 172.300 176.932 -4.632 18048 5625 1 22 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.373 -2.673 18048 5626 1 22 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.675 -1.375 18048 5627 1 22 . 1 1 39 39 LYS H H 39 8.920 8.920 8.267 0.653 18048 5628 1 22 . 1 1 40 40 VAL N N 40 118.500 118.500 123.203 -4.703 18048 5629 1 22 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.118 0.162 18048 5630 1 22 . 1 1 40 40 VAL C C 40 173.600 173.600 177.090 -3.490 18048 5631 1 22 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.630 -3.530 18048 5632 1 22 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.198 -1.798 18048 5633 1 22 . 1 1 40 40 VAL H H 40 7.000 7.000 7.723 -0.723 18048 5634 1 22 . 1 1 41 41 GLU N N 41 131.800 131.800 129.067 2.733 18048 5635 1 22 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.315 -0.365 18048 5636 1 22 . 1 1 41 41 GLU C C 41 174.700 174.700 178.228 -3.528 18048 5637 1 22 . 1 1 41 41 GLU CA C 41 57.700 57.700 60.121 -2.421 18048 5638 1 22 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.905 -2.805 18048 5639 1 22 . 1 1 41 41 GLU H H 41 8.820 8.820 9.208 -0.388 18048 5640 1 22 . 1 1 42 42 ALA N N 42 117.700 117.700 121.735 -4.035 18048 5641 1 22 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.188 -0.398 18048 5642 1 22 . 1 1 42 42 ALA C C 42 178.000 178.000 179.911 -1.911 18048 5643 1 22 . 1 1 42 42 ALA CA C 42 52.900 52.900 55.136 -2.236 18048 5644 1 22 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.239 -2.839 18048 5645 1 22 . 1 1 42 42 ALA H H 42 8.630 8.630 8.482 0.148 18048 5646 1 22 . 1 1 43 43 LYS N N 43 113.500 113.500 119.362 -5.862 18048 5647 1 22 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.110 -0.020 18048 5648 1 22 . 1 1 43 43 LYS C C 43 176.600 176.600 179.134 -2.534 18048 5649 1 22 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.202 -4.002 18048 5650 1 22 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.310 -2.311 18048 5651 1 22 . 1 1 43 43 LYS H H 43 6.530 6.530 7.894 -1.364 18048 5652 1 22 . 1 1 44 44 PHE N N 44 123.600 123.600 121.888 1.712 18048 5653 1 22 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.373 -0.433 18048 5654 1 22 . 1 1 44 44 PHE C C 44 173.300 173.300 177.158 -3.858 18048 5655 1 22 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.580 -1.280 18048 5656 1 22 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.303 -2.603 18048 5657 1 22 . 1 1 44 44 PHE H H 44 8.610 8.610 8.415 0.195 18048 5658 1 22 . 1 1 45 45 ILE N N 45 119.600 119.600 119.924 -0.324 18048 5659 1 22 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.435 -0.065 18048 5660 1 22 . 1 1 45 45 ILE C C 45 174.700 174.700 177.420 -2.720 18048 5661 1 22 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.883 -2.383 18048 5662 1 22 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.562 -2.562 18048 5663 1 22 . 1 1 45 45 ILE H H 45 8.690 8.690 8.745 -0.055 18048 5664 1 22 . 1 1 46 46 ASN N N 46 115.900 115.900 118.605 -2.705 18048 5665 1 22 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.297 -0.047 18048 5666 1 22 . 1 1 46 46 ASN C C 46 173.800 173.800 177.303 -3.503 18048 5667 1 22 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.484 -2.684 18048 5668 1 22 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.403 -2.803 18048 5669 1 22 . 1 1 46 46 ASN H H 46 7.320 7.320 8.239 -0.919 18048 5670 1 22 . 1 1 47 47 TYR N N 47 120.900 120.900 120.623 0.277 18048 5671 1 22 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.175 0.115 18048 5672 1 22 . 1 1 47 47 TYR C C 47 174.400 174.400 177.596 -3.196 18048 5673 1 22 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.387 -3.187 18048 5674 1 22 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.685 -2.885 18048 5675 1 22 . 1 1 47 47 TYR H H 47 7.840 7.840 8.114 -0.274 18048 5676 1 22 . 1 1 48 48 VAL N N 48 117.800 117.800 119.972 -2.172 18048 5677 1 22 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.148 0.322 18048 5678 1 22 . 1 1 48 48 VAL C C 48 176.300 176.300 177.785 -1.485 18048 5679 1 22 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.643 -2.843 18048 5680 1 22 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.422 -3.022 18048 5681 1 22 . 1 1 48 48 VAL H H 48 8.260 8.260 8.350 -0.090 18048 5682 1 22 . 1 1 49 49 LYS N N 49 119.700 119.700 118.164 1.536 18048 5683 1 22 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.140 -0.190 18048 5684 1 22 . 1 1 49 49 LYS C C 49 176.400 176.400 178.593 -2.193 18048 5685 1 22 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.444 -0.844 18048 5686 1 22 . 1 1 49 49 LYS CB C 49 29.900 29.900 31.684 -1.784 18048 5687 1 22 . 1 1 49 49 LYS H H 49 8.070 8.070 8.292 -0.222 18048 5688 1 22 . 1 1 50 50 ASN N N 50 115.600 115.600 117.160 -1.560 18048 5689 1 22 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.444 -0.094 18048 5690 1 22 . 1 1 50 50 ASN C C 50 174.100 174.100 177.367 -3.267 18048 5691 1 22 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.476 -2.476 18048 5692 1 22 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.447 -2.147 18048 5693 1 22 . 1 1 50 50 ASN H H 50 8.080 8.080 7.763 0.317 18048 5694 1 22 . 1 1 51 51 CYS N N 51 115.800 115.800 117.572 -1.772 18048 5695 1 22 . 1 1 51 51 CYS C C 51 172.800 172.800 174.198 -1.398 18048 5696 1 22 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.428 -3.628 18048 5697 1 22 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.424 -4.224 18048 5698 1 22 . 1 1 51 51 CYS H H 51 8.480 8.480 7.629 0.851 18048 5699 1 22 . 1 1 52 52 PHE N N 52 112.700 112.700 116.031 -3.331 18048 5700 1 22 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.619 0.001 18048 5701 1 22 . 1 1 52 52 PHE C C 52 171.900 171.900 174.191 -2.291 18048 5702 1 22 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.338 -2.738 18048 5703 1 22 . 1 1 52 52 PHE CB C 52 36.900 36.900 42.086 -5.186 18048 5704 1 22 . 1 1 52 52 PHE H H 52 7.230 7.230 8.001 -0.771 18048 5705 1 22 . 1 1 53 53 ARG N N 53 114.500 114.500 126.218 -11.718 18048 5706 1 22 . 1 1 53 53 ARG C C 53 172.000 172.000 176.416 -4.416 18048 5707 1 22 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.063 -2.163 18048 5708 1 22 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.546 -5.046 18048 5709 1 22 . 1 1 53 53 ARG H H 53 7.200 7.200 8.013 -0.813 18048 5710 1 22 . 1 1 54 54 MET N N 54 116.800 116.800 121.507 -4.707 18048 5711 1 22 . 1 1 54 54 MET HA H 54 4.430 4.430 4.461 -0.031 18048 5712 1 22 . 1 1 54 54 MET C C 54 172.600 172.600 177.034 -4.434 18048 5713 1 22 . 1 1 54 54 MET CA C 54 52.800 52.800 56.386 -3.586 18048 5714 1 22 . 1 1 54 54 MET CB C 54 31.500 31.500 32.734 -1.234 18048 5715 1 22 . 1 1 54 54 MET H H 54 6.770 6.770 8.492 -1.722 18048 5716 1 22 . 1 1 55 55 THR N N 55 110.800 110.800 112.272 -1.472 18048 5717 1 22 . 1 1 55 55 THR HA H 55 4.280 4.280 3.840 0.440 18048 5718 1 22 . 1 1 55 55 THR C C 55 171.800 171.800 174.464 -2.664 18048 5719 1 22 . 1 1 55 55 THR CA C 55 58.400 58.400 65.041 -6.641 18048 5720 1 22 . 1 1 55 55 THR CB C 55 67.400 67.400 67.831 -0.431 18048 5721 1 22 . 1 1 55 55 THR H H 55 8.480 8.480 8.346 0.134 18048 5722 1 22 . 1 1 56 56 ASP N N 56 123.800 123.800 122.917 0.883 18048 5723 1 22 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.874 -0.394 18048 5724 1 22 . 1 1 56 56 ASP C C 56 173.200 173.200 176.429 -3.229 18048 5725 1 22 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.038 -2.438 18048 5726 1 22 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.741 -2.641 18048 5727 1 22 . 1 1 56 56 ASP H H 56 7.450 7.450 8.194 -0.744 18048 5728 1 22 . 1 1 57 57 GLN N N 57 126.600 126.600 125.003 1.597 18048 5729 1 22 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.930 -0.130 18048 5730 1 22 . 1 1 57 57 GLN C C 57 175.400 175.400 177.496 -2.096 18048 5731 1 22 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.269 -2.669 18048 5732 1 22 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.482 -2.882 18048 5733 1 22 . 1 1 57 57 GLN H H 57 8.880 8.880 8.972 -0.092 18048 5734 1 22 . 1 1 58 58 GLU N N 58 119.400 119.400 117.435 1.965 18048 5735 1 22 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.076 -0.096 18048 5736 1 22 . 1 1 58 58 GLU C C 58 175.900 175.900 178.417 -2.517 18048 5737 1 22 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.966 -2.066 18048 5738 1 22 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.899 -2.599 18048 5739 1 22 . 1 1 58 58 GLU H H 58 8.220 8.220 8.956 -0.736 18048 5740 1 22 . 1 1 59 59 ALA N N 59 123.300 123.300 122.430 0.870 18048 5741 1 22 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.205 -0.105 18048 5742 1 22 . 1 1 59 59 ALA C C 59 177.400 177.400 179.665 -2.265 18048 5743 1 22 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.565 -2.665 18048 5744 1 22 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.467 -2.567 18048 5745 1 22 . 1 1 59 59 ALA H H 59 7.710 7.710 7.620 0.090 18048 5746 1 22 . 1 1 60 60 ILE N N 60 117.300 117.300 119.906 -2.606 18048 5747 1 22 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.652 -0.152 18048 5748 1 22 . 1 1 60 60 ILE C C 60 175.100 175.100 178.295 -3.195 18048 5749 1 22 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.517 -1.717 18048 5750 1 22 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.066 -3.266 18048 5751 1 22 . 1 1 60 60 ILE H H 60 8.130 8.130 8.385 -0.255 18048 5752 1 22 . 1 1 61 61 GLN N N 61 118.800 118.800 118.399 0.401 18048 5753 1 22 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.127 0.053 18048 5754 1 22 . 1 1 61 61 GLN C C 61 175.900 175.900 178.136 -2.236 18048 5755 1 22 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.713 -2.413 18048 5756 1 22 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.883 -2.883 18048 5757 1 22 . 1 1 61 61 GLN H H 61 8.000 8.000 8.542 -0.542 18048 5758 1 22 . 1 1 62 62 ASP N N 62 121.000 121.000 121.490 -0.490 18048 5759 1 22 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.522 -0.132 18048 5760 1 22 . 1 1 62 62 ASP C C 62 177.200 177.200 178.617 -1.417 18048 5761 1 22 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.186 -2.186 18048 5762 1 22 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.115 -3.215 18048 5763 1 22 . 1 1 62 62 ASP H H 62 8.020 8.020 7.899 0.121 18048 5764 1 22 . 1 1 63 63 LEU N N 63 120.700 120.700 121.284 -0.584 18048 5765 1 22 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.233 -0.033 18048 5766 1 22 . 1 1 63 63 LEU C C 63 175.600 175.600 178.479 -2.879 18048 5767 1 22 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.169 -2.769 18048 5768 1 22 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.567 -2.167 18048 5769 1 22 . 1 1 63 63 LEU H H 63 8.220 8.220 8.440 -0.220 18048 5770 1 22 . 1 1 64 64 TRP N N 64 122.400 122.400 121.011 1.389 18048 5771 1 22 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.231 -0.201 18048 5772 1 22 . 1 1 64 64 TRP C C 64 173.500 173.500 178.190 -4.690 18048 5773 1 22 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.913 -5.713 18048 5774 1 22 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.632 -2.832 18048 5775 1 22 . 1 1 64 64 TRP H H 64 8.890 8.890 8.601 0.289 18048 5776 1 22 . 1 1 65 65 GLN N N 65 116.700 116.700 117.027 -0.327 18048 5777 1 22 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.102 -0.812 18048 5778 1 22 . 1 1 65 65 GLN C C 65 176.200 176.200 178.499 -2.299 18048 5779 1 22 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.299 -2.399 18048 5780 1 22 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.820 -3.120 18048 5781 1 22 . 1 1 65 65 GLN H H 65 8.310 8.310 8.229 0.081 18048 5782 1 22 . 1 1 66 66 TRP N N 66 119.500 119.500 121.921 -2.421 18048 5783 1 22 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.347 -0.337 18048 5784 1 22 . 1 1 66 66 TRP C C 66 175.100 175.100 178.730 -3.630 18048 5785 1 22 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.068 -1.968 18048 5786 1 22 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.806 -5.207 18048 5787 1 22 . 1 1 66 66 TRP H H 66 7.750 7.750 8.177 -0.427 18048 5788 1 22 . 1 1 67 67 ARG N N 67 122.300 122.300 119.399 2.901 18048 5789 1 22 . 1 1 67 67 ARG HA H 67 4.050 4.050 3.967 0.083 18048 5790 1 22 . 1 1 67 67 ARG C C 67 177.800 177.800 178.231 -0.431 18048 5791 1 22 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.780 -2.280 18048 5792 1 22 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.638 -4.338 18048 5793 1 22 . 1 1 67 67 ARG H H 67 8.640 8.640 8.271 0.369 18048 5794 1 22 . 1 1 68 68 LYS N N 68 118.400 118.400 119.992 -1.592 18048 5795 1 22 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.018 -0.628 18048 5796 1 22 . 1 1 68 68 LYS C C 68 173.800 173.800 176.787 -2.987 18048 5797 1 22 . 1 1 68 68 LYS CA C 68 55.500 55.500 56.847 -1.347 18048 5798 1 22 . 1 1 68 68 LYS CB C 68 28.000 28.000 31.400 -3.400 18048 5799 1 22 . 1 1 68 68 LYS H H 68 7.860 7.860 7.952 -0.092 18048 5800 1 22 . 1 1 69 69 SER N N 69 114.500 114.500 112.525 1.975 18048 5801 1 22 . 1 1 69 69 SER HA H 69 4.200 4.200 4.360 -0.160 18048 5802 1 22 . 1 1 69 69 SER C C 69 170.300 170.300 173.476 -3.176 18048 5803 1 22 . 1 1 69 69 SER CA C 69 55.700 55.700 57.930 -2.230 18048 5804 1 22 . 1 1 69 69 SER CB C 69 61.500 61.500 64.091 -2.591 18048 5805 1 22 . 1 1 69 69 SER H H 69 7.060 7.060 7.445 -0.385 18048 5806 1 23 . 1 1 2 2 GLU N N 2 122.400 122.400 122.307 0.093 18048 5807 1 23 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.083 0.047 18048 5808 1 23 . 1 1 2 2 GLU C C 2 173.800 173.800 176.322 -2.522 18048 5809 1 23 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.362 -3.262 18048 5810 1 23 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.849 -2.549 18048 5811 1 23 . 1 1 2 2 GLU H H 2 8.490 8.490 8.602 -0.112 18048 5812 1 23 . 1 1 3 3 SER N N 3 116.300 116.300 114.317 1.983 18048 5813 1 23 . 1 1 3 3 SER HA H 3 4.240 4.240 4.326 -0.086 18048 5814 1 23 . 1 1 3 3 SER C C 3 171.500 171.500 173.818 -2.318 18048 5815 1 23 . 1 1 3 3 SER CA C 3 55.800 55.800 59.049 -3.249 18048 5816 1 23 . 1 1 3 3 SER CB C 3 60.900 60.900 63.181 -2.281 18048 5817 1 23 . 1 1 3 3 SER H H 3 8.210 8.210 8.023 0.187 18048 5818 1 23 . 1 1 4 4 PHE N N 4 121.700 121.700 117.214 4.486 18048 5819 1 23 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.943 -0.463 18048 5820 1 23 . 1 1 4 4 PHE C C 4 172.800 172.800 174.742 -1.942 18048 5821 1 23 . 1 1 4 4 PHE CA C 4 55.000 55.000 56.523 -1.523 18048 5822 1 23 . 1 1 4 4 PHE CB C 4 36.500 36.500 40.824 -4.324 18048 5823 1 23 . 1 1 4 4 PHE H H 4 8.040 8.040 6.692 1.348 18048 5824 1 23 . 1 1 5 5 LYS N N 5 122.600 122.600 120.906 1.694 18048 5825 1 23 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.413 -0.293 18048 5826 1 23 . 1 1 5 5 LYS C C 5 173.400 173.400 176.326 -2.926 18048 5827 1 23 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.743 -3.343 18048 5828 1 23 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.605 -3.505 18048 5829 1 23 . 1 1 5 5 LYS H H 5 7.990 7.990 8.619 -0.629 18048 5830 1 23 . 1 1 6 6 LYS N N 6 122.800 122.800 119.557 3.243 18048 5831 1 23 . 1 1 6 6 LYS C C 6 173.700 173.700 175.305 -1.605 18048 5832 1 23 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.227 -3.527 18048 5833 1 23 . 1 1 6 6 LYS H H 6 8.160 8.160 8.122 0.038 18048 5834 1 23 . 1 1 7 7 GLN N N 7 120.800 120.800 118.219 2.581 18048 5835 1 23 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.312 0.218 18048 5836 1 23 . 1 1 7 7 GLN C C 7 173.600 173.600 176.205 -2.605 18048 5837 1 23 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.215 -2.515 18048 5838 1 23 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.273 -1.973 18048 5839 1 23 . 1 1 7 7 GLN H H 7 8.240 8.240 7.983 0.257 18048 5840 1 23 . 1 1 8 8 GLU N N 8 121.400 121.400 120.475 0.925 18048 5841 1 23 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.375 -0.175 18048 5842 1 23 . 1 1 8 8 GLU C C 8 173.100 173.100 175.759 -2.659 18048 5843 1 23 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.358 -3.458 18048 5844 1 23 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.030 -2.430 18048 5845 1 23 . 1 1 8 8 GLU H H 8 8.270 8.270 8.720 -0.450 18048 5846 1 23 . 1 1 9 9 LYS N N 9 123.000 123.000 119.336 3.664 18048 5847 1 23 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.253 -0.013 18048 5848 1 23 . 1 1 9 9 LYS C C 9 173.700 173.700 177.194 -3.494 18048 5849 1 23 . 1 1 9 9 LYS CA C 9 53.500 53.500 57.442 -3.942 18048 5850 1 23 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.036 -2.936 18048 5851 1 23 . 1 1 9 9 LYS H H 9 8.390 8.390 7.975 0.415 18048 5852 1 23 . 1 1 10 10 THR N N 10 117.900 117.900 110.339 7.561 18048 5853 1 23 . 1 1 10 10 THR HA H 10 4.450 4.450 4.797 -0.347 18048 5854 1 23 . 1 1 10 10 THR C C 10 170.000 170.000 173.838 -3.838 18048 5855 1 23 . 1 1 10 10 THR CA C 10 57.000 57.000 59.512 -2.512 18048 5856 1 23 . 1 1 10 10 THR CB C 10 66.800 66.800 69.034 -2.234 18048 5857 1 23 . 1 1 10 10 THR H H 10 8.140 8.140 8.318 -0.178 18048 5858 1 23 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.409 -0.099 18048 5859 1 23 . 1 1 11 11 PRO C C 11 173.800 173.800 176.893 -3.093 18048 5860 1 23 . 1 1 11 11 PRO CA C 11 60.400 60.400 64.608 -4.207 18048 5861 1 23 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.002 -2.702 18048 5862 1 23 . 1 1 12 12 LYS N N 12 121.700 121.700 119.012 2.688 18048 5863 1 23 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.534 -0.324 18048 5864 1 23 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.467 -2.967 18048 5865 1 23 . 1 1 12 12 LYS CB C 12 30.200 30.200 31.562 -1.362 18048 5866 1 23 . 1 1 12 12 LYS H H 12 8.380 8.380 7.787 0.593 18048 5867 1 23 . 1 1 13 13 THR N N 13 115.600 115.600 117.193 -1.593 18048 5868 1 23 . 1 1 13 13 THR HA H 13 4.360 4.360 4.693 -0.333 18048 5869 1 23 . 1 1 13 13 THR C C 13 169.800 169.800 172.708 -2.908 18048 5870 1 23 . 1 1 13 13 THR CA C 13 55.800 55.800 59.230 -3.430 18048 5871 1 23 . 1 1 13 13 THR CB C 13 67.800 67.800 69.096 -1.296 18048 5872 1 23 . 1 1 13 13 THR H H 13 7.940 7.940 8.243 -0.303 18048 5873 1 23 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.586 -0.196 18048 5874 1 23 . 1 1 14 14 PRO C C 14 174.000 174.000 176.673 -2.673 18048 5875 1 23 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.760 -2.460 18048 5876 1 23 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.368 -3.168 18048 5877 1 23 . 1 1 15 15 LYS N N 15 121.700 121.700 122.250 -0.550 18048 5878 1 23 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.387 -0.177 18048 5879 1 23 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.845 -2.345 18048 5880 1 23 . 1 1 15 15 LYS CB C 15 30.300 30.300 32.918 -2.618 18048 5881 1 23 . 1 1 15 15 LYS H H 15 8.360 8.360 8.281 0.079 18048 5882 1 23 . 1 1 16 16 GLY N N 16 110.100 110.100 109.268 0.832 18048 5883 1 23 . 1 1 16 16 GLY C C 16 168.900 168.900 172.770 -3.870 18048 5884 1 23 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.304 -2.604 18048 5885 1 23 . 1 1 16 16 GLY H H 16 8.220 8.220 8.329 -0.109 18048 5886 1 23 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.411 -0.031 18048 5887 1 23 . 1 1 17 17 PRO C C 17 174.600 174.600 177.697 -3.097 18048 5888 1 23 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.926 -2.426 18048 5889 1 23 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.390 -2.990 18048 5890 1 23 . 1 1 18 18 SER N N 18 116.500 116.500 113.050 3.450 18048 5891 1 23 . 1 1 18 18 SER HA H 18 4.420 4.420 4.361 0.059 18048 5892 1 23 . 1 1 18 18 SER C C 18 171.300 171.300 174.420 -3.120 18048 5893 1 23 . 1 1 18 18 SER CA C 18 55.900 55.900 59.119 -3.219 18048 5894 1 23 . 1 1 18 18 SER CB C 18 61.400 61.400 63.332 -1.932 18048 5895 1 23 . 1 1 18 18 SER H H 18 8.520 8.520 8.725 -0.205 18048 5896 1 23 . 1 1 19 19 SER N N 19 117.700 117.700 115.245 2.455 18048 5897 1 23 . 1 1 19 19 SER HA H 19 4.370 4.370 4.608 -0.238 18048 5898 1 23 . 1 1 19 19 SER C C 19 172.600 172.600 174.760 -2.160 18048 5899 1 23 . 1 1 19 19 SER CA C 19 55.500 55.500 56.992 -1.492 18048 5900 1 23 . 1 1 19 19 SER CB C 19 61.400 61.400 63.939 -2.539 18048 5901 1 23 . 1 1 19 19 SER H H 19 8.490 8.490 7.342 1.148 18048 5902 1 23 . 1 1 20 20 VAL N N 20 120.500 120.500 123.021 -2.521 18048 5903 1 23 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.823 -0.333 18048 5904 1 23 . 1 1 20 20 VAL C C 20 174.300 174.300 177.315 -3.015 18048 5905 1 23 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.325 -1.825 18048 5906 1 23 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.279 -2.379 18048 5907 1 23 . 1 1 20 20 VAL H H 20 8.310 8.310 8.589 -0.279 18048 5908 1 23 . 1 1 21 21 GLU N N 21 118.700 118.700 119.910 -1.210 18048 5909 1 23 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.859 -0.229 18048 5910 1 23 . 1 1 21 21 GLU C C 21 176.300 176.300 178.681 -2.381 18048 5911 1 23 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.582 -2.682 18048 5912 1 23 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.963 -3.063 18048 5913 1 23 . 1 1 21 21 GLU H H 21 8.110 8.110 8.659 -0.549 18048 5914 1 23 . 1 1 22 22 ASP N N 22 120.400 120.400 120.199 0.201 18048 5915 1 23 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.394 -0.134 18048 5916 1 23 . 1 1 22 22 ASP C C 22 175.600 175.600 177.930 -2.330 18048 5917 1 23 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.187 -2.987 18048 5918 1 23 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.702 -2.802 18048 5919 1 23 . 1 1 22 22 ASP H H 22 7.810 7.810 8.134 -0.324 18048 5920 1 23 . 1 1 23 23 ILE N N 23 120.900 120.900 120.348 0.552 18048 5921 1 23 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.657 -0.557 18048 5922 1 23 . 1 1 23 23 ILE C C 23 175.100 175.100 177.439 -2.339 18048 5923 1 23 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.431 -2.131 18048 5924 1 23 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.836 -3.536 18048 5925 1 23 . 1 1 23 23 ILE H H 23 7.670 7.670 7.880 -0.210 18048 5926 1 23 . 1 1 24 24 LYS N N 24 120.000 120.000 119.545 0.455 18048 5927 1 23 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.852 -0.762 18048 5928 1 23 . 1 1 24 24 LYS C C 24 175.400 175.400 179.099 -3.699 18048 5929 1 23 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.582 -2.182 18048 5930 1 23 . 1 1 24 24 LYS CB C 24 29.600 29.600 32.136 -2.536 18048 5931 1 23 . 1 1 24 24 LYS H H 24 8.060 8.060 7.833 0.227 18048 5932 1 23 . 1 1 25 25 ALA N N 25 119.000 119.000 121.727 -2.727 18048 5933 1 23 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.076 -0.046 18048 5934 1 23 . 1 1 25 25 ALA C C 25 178.700 178.700 179.408 -0.708 18048 5935 1 23 . 1 1 25 25 ALA CA C 25 52.300 52.300 54.896 -2.596 18048 5936 1 23 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.259 -3.559 18048 5937 1 23 . 1 1 25 25 ALA H H 25 7.410 7.410 8.186 -0.776 18048 5938 1 23 . 1 1 26 26 LYS N N 26 120.100 120.100 119.611 0.489 18048 5939 1 23 . 1 1 26 26 LYS HA H 26 4.050 4.050 3.947 0.103 18048 5940 1 23 . 1 1 26 26 LYS C C 26 177.600 177.600 179.073 -1.473 18048 5941 1 23 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.675 -3.075 18048 5942 1 23 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.360 -2.760 18048 5943 1 23 . 1 1 26 26 LYS H H 26 7.760 7.760 8.168 -0.408 18048 5944 1 23 . 1 1 27 27 MET N N 27 120.900 120.900 117.191 3.709 18048 5945 1 23 . 1 1 27 27 MET HA H 27 4.220 4.220 4.102 0.118 18048 5946 1 23 . 1 1 27 27 MET C C 27 175.900 175.900 177.889 -1.989 18048 5947 1 23 . 1 1 27 27 MET CA C 27 58.000 58.000 59.310 -1.310 18048 5948 1 23 . 1 1 27 27 MET CB C 27 30.600 30.600 32.221 -1.621 18048 5949 1 23 . 1 1 27 27 MET H H 27 8.620 8.620 8.284 0.336 18048 5950 1 23 . 1 1 28 28 GLN N N 28 119.700 119.700 119.060 0.640 18048 5951 1 23 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.024 0.016 18048 5952 1 23 . 1 1 28 28 GLN C C 28 175.500 175.500 178.017 -2.517 18048 5953 1 23 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.493 -1.793 18048 5954 1 23 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.537 -1.837 18048 5955 1 23 . 1 1 28 28 GLN H H 28 8.970 8.970 7.313 1.657 18048 5956 1 23 . 1 1 29 29 ALA N N 29 120.900 120.900 123.070 -2.170 18048 5957 1 23 . 1 1 29 29 ALA HA H 29 4.160 4.160 3.950 0.210 18048 5958 1 23 . 1 1 29 29 ALA C C 29 177.500 177.500 179.748 -2.248 18048 5959 1 23 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.039 -2.939 18048 5960 1 23 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.113 -3.313 18048 5961 1 23 . 1 1 29 29 ALA H H 29 7.940 7.940 8.201 -0.261 18048 5962 1 23 . 1 1 30 30 SER N N 30 112.900 112.900 114.826 -1.926 18048 5963 1 23 . 1 1 30 30 SER HA H 30 4.180 4.180 4.126 0.054 18048 5964 1 23 . 1 1 30 30 SER CA C 30 58.900 58.900 62.194 -3.294 18048 5965 1 23 . 1 1 30 30 SER CB C 30 60.000 60.000 63.223 -3.223 18048 5966 1 23 . 1 1 30 30 SER H H 30 7.780 7.780 7.861 -0.081 18048 5967 1 23 . 1 1 31 31 ILE N N 31 122.000 122.000 121.638 0.362 18048 5968 1 23 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.766 0.084 18048 5969 1 23 . 1 1 31 31 ILE C C 31 173.900 173.900 177.630 -3.730 18048 5970 1 23 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.078 -2.578 18048 5971 1 23 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.249 -3.349 18048 5972 1 23 . 1 1 31 31 ILE H H 31 7.940 7.940 8.026 -0.086 18048 5973 1 23 . 1 1 32 32 GLU N N 32 121.800 121.800 117.632 4.168 18048 5974 1 23 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.310 -0.280 18048 5975 1 23 . 1 1 32 32 GLU C C 32 175.200 175.200 177.191 -1.991 18048 5976 1 23 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.548 -1.248 18048 5977 1 23 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.383 -2.883 18048 5978 1 23 . 1 1 32 32 GLU H H 32 8.140 8.140 8.423 -0.283 18048 5979 1 23 . 1 1 33 33 LYS N N 33 116.200 116.200 118.203 -2.003 18048 5980 1 23 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.487 -0.107 18048 5981 1 23 . 1 1 33 33 LYS C C 33 173.800 173.800 177.035 -3.235 18048 5982 1 23 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.295 -3.395 18048 5983 1 23 . 1 1 33 33 LYS CB C 33 29.500 29.500 34.029 -4.529 18048 5984 1 23 . 1 1 33 33 LYS H H 33 7.350 7.350 7.577 -0.227 18048 5985 1 23 . 1 1 34 34 GLY N N 34 107.400 107.400 106.893 0.507 18048 5986 1 23 . 1 1 34 34 GLY C C 34 172.400 172.400 174.016 -1.616 18048 5987 1 23 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.365 -2.765 18048 5988 1 23 . 1 1 34 34 GLY H H 34 7.830 7.830 8.237 -0.407 18048 5989 1 23 . 1 1 35 35 GLY N N 35 109.200 109.200 108.872 0.328 18048 5990 1 23 . 1 1 35 35 GLY C C 35 169.500 169.500 173.153 -3.653 18048 5991 1 23 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.053 -3.453 18048 5992 1 23 . 1 1 35 35 GLY H H 35 8.330 8.330 7.712 0.618 18048 5993 1 23 . 1 1 36 36 SER N N 36 112.700 112.700 114.973 -2.273 18048 5994 1 23 . 1 1 36 36 SER HA H 36 4.610 4.610 4.505 0.105 18048 5995 1 23 . 1 1 36 36 SER C C 36 171.000 171.000 173.396 -2.396 18048 5996 1 23 . 1 1 36 36 SER CA C 36 54.000 54.000 57.655 -3.655 18048 5997 1 23 . 1 1 36 36 SER CB C 36 62.300 62.300 64.422 -2.122 18048 5998 1 23 . 1 1 36 36 SER H H 36 8.150 8.150 8.114 0.036 18048 5999 1 23 . 1 1 37 37 LEU N N 37 122.700 122.700 123.417 -0.717 18048 6000 1 23 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.497 0.663 18048 6001 1 23 . 1 1 37 37 LEU C C 37 173.600 173.600 174.762 -1.162 18048 6002 1 23 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.062 -0.662 18048 6003 1 23 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.855 -0.355 18048 6004 1 23 . 1 1 37 37 LEU H H 37 8.380 8.380 8.491 -0.111 18048 6005 1 23 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.453 -0.183 18048 6006 1 23 . 1 1 38 38 PRO C C 38 174.400 174.400 175.981 -1.581 18048 6007 1 23 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.849 -1.449 18048 6008 1 23 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.263 -2.463 18048 6009 1 23 . 1 1 39 39 LYS N N 39 122.300 122.300 116.277 6.023 18048 6010 1 23 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.566 -0.186 18048 6011 1 23 . 1 1 39 39 LYS C C 39 172.300 172.300 176.427 -4.127 18048 6012 1 23 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.503 -2.803 18048 6013 1 23 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.317 -2.017 18048 6014 1 23 . 1 1 39 39 LYS H H 39 8.920 8.920 8.194 0.726 18048 6015 1 23 . 1 1 40 40 VAL N N 40 118.500 118.500 123.841 -5.341 18048 6016 1 23 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.256 0.024 18048 6017 1 23 . 1 1 40 40 VAL C C 40 173.600 173.600 176.370 -2.770 18048 6018 1 23 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.996 -2.896 18048 6019 1 23 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.238 -1.838 18048 6020 1 23 . 1 1 40 40 VAL H H 40 7.000 7.000 7.926 -0.926 18048 6021 1 23 . 1 1 41 41 GLU N N 41 131.800 131.800 129.375 2.425 18048 6022 1 23 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.687 0.263 18048 6023 1 23 . 1 1 41 41 GLU C C 41 174.700 174.700 177.593 -2.893 18048 6024 1 23 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.460 -1.760 18048 6025 1 23 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.033 -1.933 18048 6026 1 23 . 1 1 41 41 GLU H H 41 8.820 8.820 9.038 -0.218 18048 6027 1 23 . 1 1 42 42 ALA N N 42 117.700 117.700 121.707 -4.007 18048 6028 1 23 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.097 -0.307 18048 6029 1 23 . 1 1 42 42 ALA C C 42 178.000 178.000 179.995 -1.995 18048 6030 1 23 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.716 -1.816 18048 6031 1 23 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.057 -2.657 18048 6032 1 23 . 1 1 42 42 ALA H H 42 8.630 8.630 8.456 0.174 18048 6033 1 23 . 1 1 43 43 LYS N N 43 113.500 113.500 119.913 -6.413 18048 6034 1 23 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.091 -0.001 18048 6035 1 23 . 1 1 43 43 LYS C C 43 176.600 176.600 178.880 -2.280 18048 6036 1 23 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.109 -3.909 18048 6037 1 23 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.381 -2.381 18048 6038 1 23 . 1 1 43 43 LYS H H 43 6.530 6.530 7.577 -1.047 18048 6039 1 23 . 1 1 44 44 PHE N N 44 123.600 123.600 121.600 2.000 18048 6040 1 23 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.148 -0.208 18048 6041 1 23 . 1 1 44 44 PHE C C 44 173.300 173.300 177.397 -4.097 18048 6042 1 23 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.731 -1.431 18048 6043 1 23 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.113 -2.413 18048 6044 1 23 . 1 1 44 44 PHE H H 44 8.610 8.610 8.292 0.318 18048 6045 1 23 . 1 1 45 45 ILE N N 45 119.600 119.600 118.889 0.711 18048 6046 1 23 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.559 -0.189 18048 6047 1 23 . 1 1 45 45 ILE C C 45 174.700 174.700 177.506 -2.806 18048 6048 1 23 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.773 -2.273 18048 6049 1 23 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.554 -2.554 18048 6050 1 23 . 1 1 45 45 ILE H H 45 8.690 8.690 8.647 0.043 18048 6051 1 23 . 1 1 46 46 ASN N N 46 115.900 115.900 118.626 -2.726 18048 6052 1 23 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.328 -0.078 18048 6053 1 23 . 1 1 46 46 ASN C C 46 173.800 173.800 177.178 -3.378 18048 6054 1 23 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.573 -2.773 18048 6055 1 23 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.398 -2.798 18048 6056 1 23 . 1 1 46 46 ASN H H 46 7.320 7.320 8.102 -0.782 18048 6057 1 23 . 1 1 47 47 TYR N N 47 120.900 120.900 120.758 0.142 18048 6058 1 23 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.157 0.133 18048 6059 1 23 . 1 1 47 47 TYR C C 47 174.400 174.400 177.906 -3.506 18048 6060 1 23 . 1 1 47 47 TYR CA C 47 58.200 58.200 62.169 -3.969 18048 6061 1 23 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.712 -2.912 18048 6062 1 23 . 1 1 47 47 TYR H H 47 7.840 7.840 8.370 -0.530 18048 6063 1 23 . 1 1 48 48 VAL N N 48 117.800 117.800 119.108 -1.308 18048 6064 1 23 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.615 -0.144 18048 6065 1 23 . 1 1 48 48 VAL C C 48 176.300 176.300 178.289 -1.989 18048 6066 1 23 . 1 1 48 48 VAL CA C 48 63.800 63.800 67.271 -3.471 18048 6067 1 23 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.566 -3.166 18048 6068 1 23 . 1 1 48 48 VAL H H 48 8.260 8.260 8.346 -0.086 18048 6069 1 23 . 1 1 49 49 LYS N N 49 119.700 119.700 119.604 0.096 18048 6070 1 23 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.052 -0.102 18048 6071 1 23 . 1 1 49 49 LYS C C 49 176.400 176.400 178.972 -2.572 18048 6072 1 23 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.768 -2.168 18048 6073 1 23 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.510 -2.610 18048 6074 1 23 . 1 1 49 49 LYS H H 49 8.070 8.070 8.333 -0.263 18048 6075 1 23 . 1 1 50 50 ASN N N 50 115.600 115.600 116.269 -0.669 18048 6076 1 23 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.516 -0.166 18048 6077 1 23 . 1 1 50 50 ASN C C 50 174.100 174.100 177.142 -3.042 18048 6078 1 23 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.622 -2.622 18048 6079 1 23 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.693 -2.393 18048 6080 1 23 . 1 1 50 50 ASN H H 50 8.080 8.080 8.402 -0.322 18048 6081 1 23 . 1 1 51 51 CYS N N 51 115.800 115.800 116.588 -0.788 18048 6082 1 23 . 1 1 51 51 CYS C C 51 172.800 172.800 174.724 -1.924 18048 6083 1 23 . 1 1 51 51 CYS CA C 51 58.800 58.800 59.465 -0.665 18048 6084 1 23 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.823 -4.623 18048 6085 1 23 . 1 1 51 51 CYS H H 51 8.480 8.480 7.750 0.730 18048 6086 1 23 . 1 1 52 52 PHE N N 52 112.700 112.700 118.043 -5.343 18048 6087 1 23 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.558 0.062 18048 6088 1 23 . 1 1 52 52 PHE C C 52 171.900 171.900 175.185 -3.285 18048 6089 1 23 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.884 -3.284 18048 6090 1 23 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.584 -3.684 18048 6091 1 23 . 1 1 52 52 PHE H H 52 7.230 7.230 7.849 -0.619 18048 6092 1 23 . 1 1 53 53 ARG N N 53 114.500 114.500 116.462 -1.962 18048 6093 1 23 . 1 1 53 53 ARG C C 53 172.000 172.000 175.724 -3.724 18048 6094 1 23 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.850 -2.950 18048 6095 1 23 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.039 -3.539 18048 6096 1 23 . 1 1 53 53 ARG H H 53 7.200 7.200 7.977 -0.777 18048 6097 1 23 . 1 1 54 54 MET N N 54 116.800 116.800 116.698 0.102 18048 6098 1 23 . 1 1 54 54 MET HA H 54 4.430 4.430 4.847 -0.417 18048 6099 1 23 . 1 1 54 54 MET C C 54 172.600 172.600 175.910 -3.310 18048 6100 1 23 . 1 1 54 54 MET CA C 54 52.800 52.800 55.931 -3.131 18048 6101 1 23 . 1 1 54 54 MET CB C 54 31.500 31.500 33.111 -1.611 18048 6102 1 23 . 1 1 54 54 MET H H 54 6.770 6.770 7.536 -0.766 18048 6103 1 23 . 1 1 55 55 THR N N 55 110.800 110.800 109.800 1.000 18048 6104 1 23 . 1 1 55 55 THR HA H 55 4.280 4.280 4.381 -0.101 18048 6105 1 23 . 1 1 55 55 THR C C 55 171.800 171.800 174.416 -2.616 18048 6106 1 23 . 1 1 55 55 THR CA C 55 58.400 58.400 61.625 -3.225 18048 6107 1 23 . 1 1 55 55 THR CB C 55 67.400 67.400 69.740 -2.340 18048 6108 1 23 . 1 1 55 55 THR H H 55 8.480 8.480 8.557 -0.077 18048 6109 1 23 . 1 1 56 56 ASP N N 56 123.800 123.800 124.535 -0.735 18048 6110 1 23 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.571 -0.091 18048 6111 1 23 . 1 1 56 56 ASP C C 56 173.200 173.200 176.837 -3.637 18048 6112 1 23 . 1 1 56 56 ASP CA C 56 51.600 51.600 55.001 -3.401 18048 6113 1 23 . 1 1 56 56 ASP CB C 56 39.100 39.100 40.852 -1.752 18048 6114 1 23 . 1 1 56 56 ASP H H 56 7.450 7.450 8.356 -0.906 18048 6115 1 23 . 1 1 57 57 GLN N N 57 126.600 126.600 124.158 2.442 18048 6116 1 23 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.984 -0.184 18048 6117 1 23 . 1 1 57 57 GLN C C 57 175.400 175.400 177.542 -2.142 18048 6118 1 23 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.338 -2.738 18048 6119 1 23 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.473 -2.873 18048 6120 1 23 . 1 1 57 57 GLN H H 57 8.880 8.880 8.766 0.114 18048 6121 1 23 . 1 1 58 58 GLU N N 58 119.400 119.400 118.892 0.508 18048 6122 1 23 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.159 -0.179 18048 6123 1 23 . 1 1 58 58 GLU C C 58 175.900 175.900 178.169 -2.269 18048 6124 1 23 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.827 -1.927 18048 6125 1 23 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.785 -2.485 18048 6126 1 23 . 1 1 58 58 GLU H H 58 8.220 8.220 8.817 -0.597 18048 6127 1 23 . 1 1 59 59 ALA N N 59 123.300 123.300 122.115 1.185 18048 6128 1 23 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.347 -0.247 18048 6129 1 23 . 1 1 59 59 ALA C C 59 177.400 177.400 179.625 -2.225 18048 6130 1 23 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.376 -2.476 18048 6131 1 23 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.849 -2.949 18048 6132 1 23 . 1 1 59 59 ALA H H 59 7.710 7.710 7.638 0.072 18048 6133 1 23 . 1 1 60 60 ILE N N 60 117.300 117.300 120.842 -3.542 18048 6134 1 23 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.775 -0.275 18048 6135 1 23 . 1 1 60 60 ILE C C 60 175.100 175.100 177.933 -2.833 18048 6136 1 23 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.578 -1.778 18048 6137 1 23 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.151 -3.352 18048 6138 1 23 . 1 1 60 60 ILE H H 60 8.130 8.130 8.559 -0.429 18048 6139 1 23 . 1 1 61 61 GLN N N 61 118.800 118.800 118.641 0.159 18048 6140 1 23 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.377 -0.197 18048 6141 1 23 . 1 1 61 61 GLN C C 61 175.900 175.900 178.012 -2.112 18048 6142 1 23 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.895 -2.595 18048 6143 1 23 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.927 -2.926 18048 6144 1 23 . 1 1 61 61 GLN H H 61 8.000 8.000 8.797 -0.797 18048 6145 1 23 . 1 1 62 62 ASP N N 62 121.000 121.000 121.452 -0.452 18048 6146 1 23 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.465 -0.075 18048 6147 1 23 . 1 1 62 62 ASP C C 62 177.200 177.200 178.465 -1.265 18048 6148 1 23 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.382 -2.382 18048 6149 1 23 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.017 -3.117 18048 6150 1 23 . 1 1 62 62 ASP H H 62 8.020 8.020 7.781 0.239 18048 6151 1 23 . 1 1 63 63 LEU N N 63 120.700 120.700 121.604 -0.904 18048 6152 1 23 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.156 0.044 18048 6153 1 23 . 1 1 63 63 LEU C C 63 175.600 175.600 178.610 -3.010 18048 6154 1 23 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.946 -2.546 18048 6155 1 23 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.188 -2.788 18048 6156 1 23 . 1 1 63 63 LEU H H 63 8.220 8.220 8.362 -0.142 18048 6157 1 23 . 1 1 64 64 TRP N N 64 122.400 122.400 120.339 2.061 18048 6158 1 23 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.027 0.003 18048 6159 1 23 . 1 1 64 64 TRP C C 64 173.500 173.500 178.091 -4.591 18048 6160 1 23 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.901 -4.701 18048 6161 1 23 . 1 1 64 64 TRP CB C 64 26.800 26.800 28.676 -1.876 18048 6162 1 23 . 1 1 64 64 TRP H H 64 8.890 8.890 8.620 0.270 18048 6163 1 23 . 1 1 65 65 GLN N N 65 116.700 116.700 117.758 -1.058 18048 6164 1 23 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.722 -0.432 18048 6165 1 23 . 1 1 65 65 GLN C C 65 176.200 176.200 178.845 -2.645 18048 6166 1 23 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.019 -3.119 18048 6167 1 23 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.840 -3.140 18048 6168 1 23 . 1 1 65 65 GLN H H 65 8.310 8.310 8.383 -0.073 18048 6169 1 23 . 1 1 66 66 TRP N N 66 119.500 119.500 119.973 -0.473 18048 6170 1 23 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.468 -0.458 18048 6171 1 23 . 1 1 66 66 TRP C C 66 175.100 175.100 177.056 -1.956 18048 6172 1 23 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.803 -2.704 18048 6173 1 23 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.534 -4.934 18048 6174 1 23 . 1 1 66 66 TRP H H 66 7.750 7.750 8.393 -0.643 18048 6175 1 23 . 1 1 67 67 ARG N N 67 122.300 122.300 116.222 6.078 18048 6176 1 23 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.297 -0.247 18048 6177 1 23 . 1 1 67 67 ARG C C 67 177.800 177.800 179.001 -1.201 18048 6178 1 23 . 1 1 67 67 ARG CA C 67 56.500 56.500 56.923 -0.423 18048 6179 1 23 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.208 -4.908 18048 6180 1 23 . 1 1 67 67 ARG H H 67 8.640 8.640 7.827 0.813 18048 6181 1 23 . 1 1 68 68 LYS N N 68 118.400 118.400 119.904 -1.504 18048 6182 1 23 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.128 -0.738 18048 6183 1 23 . 1 1 68 68 LYS C C 68 173.800 173.800 176.495 -2.695 18048 6184 1 23 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.034 -2.534 18048 6185 1 23 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.062 -4.062 18048 6186 1 23 . 1 1 68 68 LYS H H 68 7.860 7.860 7.974 -0.114 18048 6187 1 23 . 1 1 69 69 SER N N 69 114.500 114.500 114.078 0.422 18048 6188 1 23 . 1 1 69 69 SER HA H 69 4.200 4.200 4.542 -0.342 18048 6189 1 23 . 1 1 69 69 SER C C 69 170.300 170.300 173.617 -3.317 18048 6190 1 23 . 1 1 69 69 SER CA C 69 55.700 55.700 57.571 -1.871 18048 6191 1 23 . 1 1 69 69 SER CB C 69 61.500 61.500 63.646 -2.146 18048 6192 1 23 . 1 1 69 69 SER H H 69 7.060 7.060 7.414 -0.354 18048 6193 1 25 . 1 1 2 2 GLU N N 2 122.400 122.400 119.718 2.682 18048 6194 1 25 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.049 0.081 18048 6195 1 25 . 1 1 2 2 GLU C C 2 173.800 173.800 174.990 -1.190 18048 6196 1 25 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.516 -3.416 18048 6197 1 25 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.630 -2.330 18048 6198 1 25 . 1 1 2 2 GLU H H 2 8.490 8.490 8.822 -0.332 18048 6199 1 25 . 1 1 3 3 SER N N 3 116.300 116.300 113.316 2.984 18048 6200 1 25 . 1 1 3 3 SER HA H 3 4.240 4.240 4.729 -0.489 18048 6201 1 25 . 1 1 3 3 SER C C 3 171.500 171.500 174.122 -2.622 18048 6202 1 25 . 1 1 3 3 SER CA C 3 55.800 55.800 57.982 -2.182 18048 6203 1 25 . 1 1 3 3 SER CB C 3 60.900 60.900 64.774 -3.874 18048 6204 1 25 . 1 1 3 3 SER H H 3 8.210 8.210 7.839 0.371 18048 6205 1 25 . 1 1 4 4 PHE N N 4 121.700 121.700 124.938 -3.238 18048 6206 1 25 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.647 -0.167 18048 6207 1 25 . 1 1 4 4 PHE C C 4 172.800 172.800 174.917 -2.117 18048 6208 1 25 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.382 -3.382 18048 6209 1 25 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.772 -3.272 18048 6210 1 25 . 1 1 4 4 PHE H H 4 8.040 8.040 8.614 -0.574 18048 6211 1 25 . 1 1 5 5 LYS N N 5 122.600 122.600 121.059 1.541 18048 6212 1 25 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.461 -0.341 18048 6213 1 25 . 1 1 5 5 LYS C C 5 173.400 173.400 175.413 -2.013 18048 6214 1 25 . 1 1 5 5 LYS CA C 5 53.400 53.400 55.752 -2.352 18048 6215 1 25 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.679 -3.579 18048 6216 1 25 . 1 1 5 5 LYS H H 5 7.990 7.990 7.849 0.141 18048 6217 1 25 . 1 1 6 6 LYS N N 6 122.800 122.800 120.890 1.910 18048 6218 1 25 . 1 1 6 6 LYS C C 6 173.700 173.700 176.628 -2.928 18048 6219 1 25 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.337 -2.637 18048 6220 1 25 . 1 1 6 6 LYS H H 6 8.160 8.160 8.591 -0.431 18048 6221 1 25 . 1 1 7 7 GLN N N 7 120.800 120.800 120.891 -0.091 18048 6222 1 25 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.275 0.255 18048 6223 1 25 . 1 1 7 7 GLN C C 7 173.600 173.600 176.328 -2.728 18048 6224 1 25 . 1 1 7 7 GLN CA C 7 53.700 53.700 57.031 -3.331 18048 6225 1 25 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.128 -1.828 18048 6226 1 25 . 1 1 7 7 GLN H H 7 8.240 8.240 8.142 0.098 18048 6227 1 25 . 1 1 8 8 GLU N N 8 121.400 121.400 120.771 0.629 18048 6228 1 25 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.250 -0.050 18048 6229 1 25 . 1 1 8 8 GLU C C 8 173.100 173.100 176.408 -3.308 18048 6230 1 25 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.875 -3.975 18048 6231 1 25 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.827 -2.227 18048 6232 1 25 . 1 1 8 8 GLU H H 8 8.270 8.270 8.285 -0.015 18048 6233 1 25 . 1 1 9 9 LYS N N 9 123.000 123.000 124.358 -1.358 18048 6234 1 25 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.645 -0.405 18048 6235 1 25 . 1 1 9 9 LYS C C 9 173.700 173.700 176.098 -2.398 18048 6236 1 25 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.080 -2.580 18048 6237 1 25 . 1 1 9 9 LYS CB C 9 30.100 30.100 33.798 -3.698 18048 6238 1 25 . 1 1 9 9 LYS H H 9 8.390 8.390 8.600 -0.210 18048 6239 1 25 . 1 1 10 10 THR N N 10 117.900 117.900 115.956 1.944 18048 6240 1 25 . 1 1 10 10 THR HA H 10 4.450 4.450 4.664 -0.214 18048 6241 1 25 . 1 1 10 10 THR C C 10 170.000 170.000 172.285 -2.285 18048 6242 1 25 . 1 1 10 10 THR CA C 10 57.000 57.000 60.173 -3.173 18048 6243 1 25 . 1 1 10 10 THR CB C 10 66.800 66.800 70.172 -3.372 18048 6244 1 25 . 1 1 10 10 THR H H 10 8.140 8.140 7.741 0.399 18048 6245 1 25 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.749 -0.439 18048 6246 1 25 . 1 1 11 11 PRO C C 11 173.800 173.800 176.292 -2.492 18048 6247 1 25 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.702 -2.301 18048 6248 1 25 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.147 -2.847 18048 6249 1 25 . 1 1 12 12 LYS N N 12 121.700 121.700 124.179 -2.479 18048 6250 1 25 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.663 -0.453 18048 6251 1 25 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.042 -2.542 18048 6252 1 25 . 1 1 12 12 LYS CB C 12 30.200 30.200 34.630 -4.430 18048 6253 1 25 . 1 1 12 12 LYS H H 12 8.380 8.380 8.466 -0.086 18048 6254 1 25 . 1 1 13 13 THR N N 13 115.600 115.600 118.210 -2.610 18048 6255 1 25 . 1 1 13 13 THR HA H 13 4.360 4.360 4.655 -0.295 18048 6256 1 25 . 1 1 13 13 THR C C 13 169.800 169.800 172.622 -2.822 18048 6257 1 25 . 1 1 13 13 THR CA C 13 55.800 55.800 60.251 -4.451 18048 6258 1 25 . 1 1 13 13 THR CB C 13 67.800 67.800 69.079 -1.279 18048 6259 1 25 . 1 1 13 13 THR H H 13 7.940 7.940 8.124 -0.184 18048 6260 1 25 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.590 -0.200 18048 6261 1 25 . 1 1 14 14 PRO C C 14 174.000 174.000 176.513 -2.513 18048 6262 1 25 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.950 -2.650 18048 6263 1 25 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.814 -3.614 18048 6264 1 25 . 1 1 15 15 LYS N N 15 121.700 121.700 120.070 1.630 18048 6265 1 25 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.487 -0.277 18048 6266 1 25 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.864 -2.364 18048 6267 1 25 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.139 -2.839 18048 6268 1 25 . 1 1 15 15 LYS H H 15 8.360 8.360 8.384 -0.024 18048 6269 1 25 . 1 1 16 16 GLY N N 16 110.100 110.100 106.220 3.880 18048 6270 1 25 . 1 1 16 16 GLY C C 16 168.900 168.900 172.101 -3.201 18048 6271 1 25 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.441 -2.741 18048 6272 1 25 . 1 1 16 16 GLY H H 16 8.220 8.220 7.458 0.762 18048 6273 1 25 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.425 -0.045 18048 6274 1 25 . 1 1 17 17 PRO C C 17 174.600 174.600 176.244 -1.644 18048 6275 1 25 . 1 1 17 17 PRO CA C 17 60.500 60.500 64.381 -3.881 18048 6276 1 25 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.360 -2.960 18048 6277 1 25 . 1 1 18 18 SER N N 18 116.500 116.500 107.508 8.992 18048 6278 1 25 . 1 1 18 18 SER HA H 18 4.420 4.420 4.384 0.036 18048 6279 1 25 . 1 1 18 18 SER C C 18 171.300 171.300 174.038 -2.738 18048 6280 1 25 . 1 1 18 18 SER CA C 18 55.900 55.900 58.719 -2.819 18048 6281 1 25 . 1 1 18 18 SER CB C 18 61.400 61.400 63.844 -2.444 18048 6282 1 25 . 1 1 18 18 SER H H 18 8.520 8.520 7.877 0.643 18048 6283 1 25 . 1 1 19 19 SER N N 19 117.700 117.700 117.317 0.383 18048 6284 1 25 . 1 1 19 19 SER HA H 19 4.370 4.370 4.500 -0.130 18048 6285 1 25 . 1 1 19 19 SER C C 19 172.600 172.600 175.973 -3.373 18048 6286 1 25 . 1 1 19 19 SER CA C 19 55.500 55.500 57.282 -1.782 18048 6287 1 25 . 1 1 19 19 SER CB C 19 61.400 61.400 63.833 -2.433 18048 6288 1 25 . 1 1 19 19 SER H H 19 8.490 8.490 8.054 0.436 18048 6289 1 25 . 1 1 20 20 VAL N N 20 120.500 120.500 122.817 -2.317 18048 6290 1 25 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.639 -0.149 18048 6291 1 25 . 1 1 20 20 VAL C C 20 174.300 174.300 177.155 -2.855 18048 6292 1 25 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.461 -1.961 18048 6293 1 25 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.464 -2.564 18048 6294 1 25 . 1 1 20 20 VAL H H 20 8.310 8.310 8.505 -0.195 18048 6295 1 25 . 1 1 21 21 GLU N N 21 118.700 118.700 119.124 -0.424 18048 6296 1 25 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.826 -0.196 18048 6297 1 25 . 1 1 21 21 GLU C C 21 176.300 176.300 178.754 -2.454 18048 6298 1 25 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.498 -2.598 18048 6299 1 25 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.783 -2.883 18048 6300 1 25 . 1 1 21 21 GLU H H 21 8.110 8.110 8.719 -0.609 18048 6301 1 25 . 1 1 22 22 ASP N N 22 120.400 120.400 120.220 0.180 18048 6302 1 25 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.339 -0.079 18048 6303 1 25 . 1 1 22 22 ASP C C 22 175.600 175.600 178.161 -2.561 18048 6304 1 25 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.103 -2.903 18048 6305 1 25 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.784 -2.884 18048 6306 1 25 . 1 1 22 22 ASP H H 22 7.810 7.810 7.928 -0.118 18048 6307 1 25 . 1 1 23 23 ILE N N 23 120.900 120.900 120.468 0.432 18048 6308 1 25 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.537 -0.437 18048 6309 1 25 . 1 1 23 23 ILE C C 23 175.100 175.100 178.095 -2.995 18048 6310 1 25 . 1 1 23 23 ILE CA C 23 62.300 62.300 65.013 -2.713 18048 6311 1 25 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.782 -3.482 18048 6312 1 25 . 1 1 23 23 ILE H H 23 7.670 7.670 7.269 0.401 18048 6313 1 25 . 1 1 24 24 LYS N N 24 120.000 120.000 119.581 0.419 18048 6314 1 25 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.021 -0.931 18048 6315 1 25 . 1 1 24 24 LYS C C 24 175.400 175.400 179.353 -3.953 18048 6316 1 25 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.395 -1.995 18048 6317 1 25 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.782 -2.182 18048 6318 1 25 . 1 1 24 24 LYS H H 24 8.060 8.060 8.341 -0.281 18048 6319 1 25 . 1 1 25 25 ALA N N 25 119.000 119.000 121.514 -2.514 18048 6320 1 25 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.196 -0.166 18048 6321 1 25 . 1 1 25 25 ALA C C 25 178.700 178.700 179.878 -1.178 18048 6322 1 25 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.164 -2.864 18048 6323 1 25 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.337 -3.637 18048 6324 1 25 . 1 1 25 25 ALA H H 25 7.410 7.410 8.077 -0.667 18048 6325 1 25 . 1 1 26 26 LYS N N 26 120.100 120.100 118.725 1.375 18048 6326 1 25 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.075 -0.025 18048 6327 1 25 . 1 1 26 26 LYS C C 26 177.600 177.600 179.100 -1.500 18048 6328 1 25 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.360 -2.760 18048 6329 1 25 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.241 -2.641 18048 6330 1 25 . 1 1 26 26 LYS H H 26 7.760 7.760 8.353 -0.593 18048 6331 1 25 . 1 1 27 27 MET N N 27 120.900 120.900 119.555 1.345 18048 6332 1 25 . 1 1 27 27 MET HA H 27 4.220 4.220 4.275 -0.055 18048 6333 1 25 . 1 1 27 27 MET C C 27 175.900 175.900 178.367 -2.467 18048 6334 1 25 . 1 1 27 27 MET CA C 27 58.000 58.000 57.877 0.124 18048 6335 1 25 . 1 1 27 27 MET CB C 27 30.600 30.600 31.805 -1.205 18048 6336 1 25 . 1 1 27 27 MET H H 27 8.620 8.620 8.277 0.343 18048 6337 1 25 . 1 1 28 28 GLN N N 28 119.700 119.700 118.377 1.323 18048 6338 1 25 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.034 0.006 18048 6339 1 25 . 1 1 28 28 GLN C C 28 175.500 175.500 178.703 -3.203 18048 6340 1 25 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.353 -1.653 18048 6341 1 25 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.660 -1.960 18048 6342 1 25 . 1 1 28 28 GLN H H 28 8.970 8.970 7.889 1.081 18048 6343 1 25 . 1 1 29 29 ALA N N 29 120.900 120.900 122.468 -1.568 18048 6344 1 25 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.013 0.147 18048 6345 1 25 . 1 1 29 29 ALA C C 29 177.500 177.500 179.911 -2.411 18048 6346 1 25 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.001 -2.901 18048 6347 1 25 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.153 -3.353 18048 6348 1 25 . 1 1 29 29 ALA H H 29 7.940 7.940 8.253 -0.313 18048 6349 1 25 . 1 1 30 30 SER N N 30 112.900 112.900 114.716 -1.816 18048 6350 1 25 . 1 1 30 30 SER HA H 30 4.180 4.180 4.187 -0.007 18048 6351 1 25 . 1 1 30 30 SER CA C 30 58.900 58.900 62.388 -3.488 18048 6352 1 25 . 1 1 30 30 SER CB C 30 60.000 60.000 62.915 -2.915 18048 6353 1 25 . 1 1 30 30 SER H H 30 7.780 7.780 7.999 -0.219 18048 6354 1 25 . 1 1 31 31 ILE N N 31 122.000 122.000 121.794 0.206 18048 6355 1 25 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.749 0.101 18048 6356 1 25 . 1 1 31 31 ILE C C 31 173.900 173.900 176.634 -2.734 18048 6357 1 25 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.791 -3.291 18048 6358 1 25 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.249 -3.349 18048 6359 1 25 . 1 1 31 31 ILE H H 31 7.940 7.940 7.620 0.320 18048 6360 1 25 . 1 1 32 32 GLU N N 32 121.800 121.800 117.451 4.349 18048 6361 1 25 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.175 -0.145 18048 6362 1 25 . 1 1 32 32 GLU C C 32 175.200 175.200 177.958 -2.758 18048 6363 1 25 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.981 -1.681 18048 6364 1 25 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.476 -2.976 18048 6365 1 25 . 1 1 32 32 GLU H H 32 8.140 8.140 7.938 0.202 18048 6366 1 25 . 1 1 33 33 LYS N N 33 116.200 116.200 118.209 -2.009 18048 6367 1 25 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.388 -0.008 18048 6368 1 25 . 1 1 33 33 LYS C C 33 173.800 173.800 177.179 -3.379 18048 6369 1 25 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.198 -3.298 18048 6370 1 25 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.454 -3.954 18048 6371 1 25 . 1 1 33 33 LYS H H 33 7.350 7.350 7.827 -0.477 18048 6372 1 25 . 1 1 34 34 GLY N N 34 107.400 107.400 108.814 -1.414 18048 6373 1 25 . 1 1 34 34 GLY C C 34 172.400 172.400 175.258 -2.858 18048 6374 1 25 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.691 -3.091 18048 6375 1 25 . 1 1 34 34 GLY H H 34 7.830 7.830 7.936 -0.106 18048 6376 1 25 . 1 1 35 35 GLY N N 35 109.200 109.200 107.301 1.899 18048 6377 1 25 . 1 1 35 35 GLY C C 35 169.500 169.500 173.972 -4.472 18048 6378 1 25 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.896 -3.296 18048 6379 1 25 . 1 1 35 35 GLY H H 35 8.330 8.330 8.411 -0.081 18048 6380 1 25 . 1 1 36 36 SER N N 36 112.700 112.700 116.227 -3.527 18048 6381 1 25 . 1 1 36 36 SER HA H 36 4.610 4.610 4.655 -0.045 18048 6382 1 25 . 1 1 36 36 SER C C 36 171.000 171.000 174.249 -3.249 18048 6383 1 25 . 1 1 36 36 SER CA C 36 54.000 54.000 57.605 -3.605 18048 6384 1 25 . 1 1 36 36 SER CB C 36 62.300 62.300 64.220 -1.920 18048 6385 1 25 . 1 1 36 36 SER H H 36 8.150 8.150 8.096 0.054 18048 6386 1 25 . 1 1 37 37 LEU N N 37 122.700 122.700 121.299 1.401 18048 6387 1 25 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.997 0.163 18048 6388 1 25 . 1 1 37 37 LEU C C 37 173.600 173.600 174.587 -0.987 18048 6389 1 25 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.485 -1.085 18048 6390 1 25 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.454 0.046 18048 6391 1 25 . 1 1 37 37 LEU H H 37 8.380 8.380 8.353 0.027 18048 6392 1 25 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.610 -0.340 18048 6393 1 25 . 1 1 38 38 PRO C C 38 174.400 174.400 176.044 -1.644 18048 6394 1 25 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.693 -1.293 18048 6395 1 25 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.442 -2.642 18048 6396 1 25 . 1 1 39 39 LYS N N 39 122.300 122.300 119.881 2.419 18048 6397 1 25 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.243 0.137 18048 6398 1 25 . 1 1 39 39 LYS C C 39 172.300 172.300 177.089 -4.789 18048 6399 1 25 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.457 -3.757 18048 6400 1 25 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.836 -1.536 18048 6401 1 25 . 1 1 39 39 LYS H H 39 8.920 8.920 8.442 0.478 18048 6402 1 25 . 1 1 40 40 VAL N N 40 118.500 118.500 119.896 -1.396 18048 6403 1 25 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.369 -0.089 18048 6404 1 25 . 1 1 40 40 VAL C C 40 173.600 173.600 176.180 -2.580 18048 6405 1 25 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.507 -2.407 18048 6406 1 25 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.414 -2.014 18048 6407 1 25 . 1 1 40 40 VAL H H 40 7.000 7.000 7.588 -0.588 18048 6408 1 25 . 1 1 41 41 GLU N N 41 131.800 131.800 129.196 2.604 18048 6409 1 25 . 1 1 41 41 GLU HA H 41 3.950 3.950 4.232 -0.282 18048 6410 1 25 . 1 1 41 41 GLU C C 41 174.700 174.700 177.907 -3.207 18048 6411 1 25 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.714 -2.014 18048 6412 1 25 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.028 -0.928 18048 6413 1 25 . 1 1 41 41 GLU H H 41 8.820 8.820 8.993 -0.173 18048 6414 1 25 . 1 1 42 42 ALA N N 42 117.700 117.700 122.241 -4.541 18048 6415 1 25 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.241 -0.451 18048 6416 1 25 . 1 1 42 42 ALA C C 42 178.000 178.000 180.136 -2.136 18048 6417 1 25 . 1 1 42 42 ALA CA C 42 52.900 52.900 55.006 -2.106 18048 6418 1 25 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.134 -2.735 18048 6419 1 25 . 1 1 42 42 ALA H H 42 8.630 8.630 8.469 0.161 18048 6420 1 25 . 1 1 43 43 LYS N N 43 113.500 113.500 119.886 -6.386 18048 6421 1 25 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.117 -0.027 18048 6422 1 25 . 1 1 43 43 LYS C C 43 176.600 176.600 179.060 -2.460 18048 6423 1 25 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.228 -4.028 18048 6424 1 25 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.393 -2.393 18048 6425 1 25 . 1 1 43 43 LYS H H 43 6.530 6.530 7.762 -1.232 18048 6426 1 25 . 1 1 44 44 PHE N N 44 123.600 123.600 121.560 2.040 18048 6427 1 25 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.253 -0.313 18048 6428 1 25 . 1 1 44 44 PHE C C 44 173.300 173.300 177.336 -4.036 18048 6429 1 25 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.743 -1.443 18048 6430 1 25 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.425 -2.725 18048 6431 1 25 . 1 1 44 44 PHE H H 44 8.610 8.610 8.447 0.162 18048 6432 1 25 . 1 1 45 45 ILE N N 45 119.600 119.600 119.291 0.309 18048 6433 1 25 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.591 -0.221 18048 6434 1 25 . 1 1 45 45 ILE C C 45 174.700 174.700 177.593 -2.893 18048 6435 1 25 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.759 -2.259 18048 6436 1 25 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.715 -2.715 18048 6437 1 25 . 1 1 45 45 ILE H H 45 8.690 8.690 9.002 -0.312 18048 6438 1 25 . 1 1 46 46 ASN N N 46 115.900 115.900 119.048 -3.148 18048 6439 1 25 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.324 -0.074 18048 6440 1 25 . 1 1 46 46 ASN C C 46 173.800 173.800 177.428 -3.628 18048 6441 1 25 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.551 -2.751 18048 6442 1 25 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.338 -2.738 18048 6443 1 25 . 1 1 46 46 ASN H H 46 7.320 7.320 8.157 -0.837 18048 6444 1 25 . 1 1 47 47 TYR N N 47 120.900 120.900 120.110 0.790 18048 6445 1 25 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.254 0.036 18048 6446 1 25 . 1 1 47 47 TYR C C 47 174.400 174.400 177.696 -3.296 18048 6447 1 25 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.950 -3.750 18048 6448 1 25 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.953 -3.153 18048 6449 1 25 . 1 1 47 47 TYR H H 47 7.840 7.840 8.087 -0.247 18048 6450 1 25 . 1 1 48 48 VAL N N 48 117.800 117.800 120.178 -2.378 18048 6451 1 25 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.484 -0.014 18048 6452 1 25 . 1 1 48 48 VAL C C 48 176.300 176.300 177.494 -1.194 18048 6453 1 25 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.696 -2.896 18048 6454 1 25 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.317 -2.917 18048 6455 1 25 . 1 1 48 48 VAL H H 48 8.260 8.260 8.529 -0.269 18048 6456 1 25 . 1 1 49 49 LYS N N 49 119.700 119.700 117.796 1.904 18048 6457 1 25 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.275 -0.325 18048 6458 1 25 . 1 1 49 49 LYS C C 49 176.400 176.400 178.239 -1.839 18048 6459 1 25 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.872 -1.272 18048 6460 1 25 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.092 -2.192 18048 6461 1 25 . 1 1 49 49 LYS H H 49 8.070 8.070 8.315 -0.245 18048 6462 1 25 . 1 1 50 50 ASN N N 50 115.600 115.600 117.638 -2.038 18048 6463 1 25 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.500 -0.150 18048 6464 1 25 . 1 1 50 50 ASN C C 50 174.100 174.100 176.986 -2.886 18048 6465 1 25 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.649 -2.649 18048 6466 1 25 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.698 -2.398 18048 6467 1 25 . 1 1 50 50 ASN H H 50 8.080 8.080 7.568 0.512 18048 6468 1 25 . 1 1 51 51 CYS N N 51 115.800 115.800 118.086 -2.286 18048 6469 1 25 . 1 1 51 51 CYS C C 51 172.800 172.800 175.277 -2.477 18048 6470 1 25 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.712 -2.913 18048 6471 1 25 . 1 1 51 51 CYS CB C 51 24.200 24.200 27.146 -2.946 18048 6472 1 25 . 1 1 51 51 CYS H H 51 8.480 8.480 8.185 0.295 18048 6473 1 25 . 1 1 52 52 PHE N N 52 112.700 112.700 117.868 -5.168 18048 6474 1 25 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.697 -0.077 18048 6475 1 25 . 1 1 52 52 PHE C C 52 171.900 171.900 174.121 -2.221 18048 6476 1 25 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.631 -2.031 18048 6477 1 25 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.648 -4.748 18048 6478 1 25 . 1 1 52 52 PHE H H 52 7.230 7.230 7.985 -0.755 18048 6479 1 25 . 1 1 53 53 ARG N N 53 114.500 114.500 123.651 -9.151 18048 6480 1 25 . 1 1 53 53 ARG C C 53 172.000 172.000 174.986 -2.986 18048 6481 1 25 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.018 -2.118 18048 6482 1 25 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.135 -4.635 18048 6483 1 25 . 1 1 53 53 ARG H H 53 7.200 7.200 7.250 -0.050 18048 6484 1 25 . 1 1 54 54 MET N N 54 116.800 116.800 120.097 -3.297 18048 6485 1 25 . 1 1 54 54 MET HA H 54 4.430 4.430 4.703 -0.273 18048 6486 1 25 . 1 1 54 54 MET C C 54 172.600 172.600 176.264 -3.664 18048 6487 1 25 . 1 1 54 54 MET CA C 54 52.800 52.800 53.818 -1.018 18048 6488 1 25 . 1 1 54 54 MET CB C 54 31.500 31.500 32.515 -1.015 18048 6489 1 25 . 1 1 54 54 MET H H 54 6.770 6.770 8.010 -1.240 18048 6490 1 25 . 1 1 55 55 THR N N 55 110.800 110.800 115.739 -4.939 18048 6491 1 25 . 1 1 55 55 THR HA H 55 4.280 4.280 4.433 -0.153 18048 6492 1 25 . 1 1 55 55 THR C C 55 171.800 171.800 173.623 -1.823 18048 6493 1 25 . 1 1 55 55 THR CA C 55 58.400 58.400 61.908 -3.508 18048 6494 1 25 . 1 1 55 55 THR CB C 55 67.400 67.400 70.261 -2.861 18048 6495 1 25 . 1 1 55 55 THR H H 55 8.480 8.480 8.585 -0.105 18048 6496 1 25 . 1 1 56 56 ASP N N 56 123.800 123.800 124.465 -0.665 18048 6497 1 25 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.717 -0.237 18048 6498 1 25 . 1 1 56 56 ASP C C 56 173.200 173.200 176.535 -3.335 18048 6499 1 25 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.844 -3.244 18048 6500 1 25 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.008 -1.907 18048 6501 1 25 . 1 1 56 56 ASP H H 56 7.450 7.450 8.146 -0.696 18048 6502 1 25 . 1 1 57 57 GLN N N 57 126.600 126.600 125.370 1.230 18048 6503 1 25 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.031 -0.231 18048 6504 1 25 . 1 1 57 57 GLN C C 57 175.400 175.400 177.973 -2.573 18048 6505 1 25 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.734 -2.134 18048 6506 1 25 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.751 -3.151 18048 6507 1 25 . 1 1 57 57 GLN H H 57 8.880 8.880 8.796 0.084 18048 6508 1 25 . 1 1 58 58 GLU N N 58 119.400 119.400 119.084 0.316 18048 6509 1 25 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.106 -0.126 18048 6510 1 25 . 1 1 58 58 GLU C C 58 175.900 175.900 178.142 -2.242 18048 6511 1 25 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.760 -2.860 18048 6512 1 25 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.892 -2.592 18048 6513 1 25 . 1 1 58 58 GLU H H 58 8.220 8.220 8.850 -0.630 18048 6514 1 25 . 1 1 59 59 ALA N N 59 123.300 123.300 121.549 1.751 18048 6515 1 25 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.177 -0.077 18048 6516 1 25 . 1 1 59 59 ALA C C 59 177.400 177.400 180.011 -2.611 18048 6517 1 25 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.698 -2.798 18048 6518 1 25 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.215 -2.315 18048 6519 1 25 . 1 1 59 59 ALA H H 59 7.710 7.710 7.513 0.197 18048 6520 1 25 . 1 1 60 60 ILE N N 60 117.300 117.300 119.746 -2.446 18048 6521 1 25 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.518 -0.018 18048 6522 1 25 . 1 1 60 60 ILE C C 60 175.100 175.100 177.990 -2.890 18048 6523 1 25 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.385 -1.585 18048 6524 1 25 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.047 -3.248 18048 6525 1 25 . 1 1 60 60 ILE H H 60 8.130 8.130 8.178 -0.048 18048 6526 1 25 . 1 1 61 61 GLN N N 61 118.800 118.800 118.927 -0.127 18048 6527 1 25 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.339 -0.159 18048 6528 1 25 . 1 1 61 61 GLN C C 61 175.900 175.900 178.196 -2.296 18048 6529 1 25 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.753 -2.453 18048 6530 1 25 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.924 -2.925 18048 6531 1 25 . 1 1 61 61 GLN H H 61 8.000 8.000 8.610 -0.610 18048 6532 1 25 . 1 1 62 62 ASP N N 62 121.000 121.000 121.331 -0.331 18048 6533 1 25 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.505 -0.115 18048 6534 1 25 . 1 1 62 62 ASP C C 62 177.200 177.200 178.505 -1.305 18048 6535 1 25 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.166 -2.166 18048 6536 1 25 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.076 -3.176 18048 6537 1 25 . 1 1 62 62 ASP H H 62 8.020 8.020 8.247 -0.227 18048 6538 1 25 . 1 1 63 63 LEU N N 63 120.700 120.700 121.834 -1.134 18048 6539 1 25 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.110 0.090 18048 6540 1 25 . 1 1 63 63 LEU C C 63 175.600 175.600 178.594 -2.994 18048 6541 1 25 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.179 -2.779 18048 6542 1 25 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.380 -1.980 18048 6543 1 25 . 1 1 63 63 LEU H H 63 8.220 8.220 8.131 0.089 18048 6544 1 25 . 1 1 64 64 TRP N N 64 122.400 122.400 119.042 3.358 18048 6545 1 25 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.121 -0.091 18048 6546 1 25 . 1 1 64 64 TRP C C 64 173.500 173.500 178.816 -5.316 18048 6547 1 25 . 1 1 64 64 TRP CA C 64 56.200 56.200 59.923 -3.723 18048 6548 1 25 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.082 -2.282 18048 6549 1 25 . 1 1 64 64 TRP H H 64 8.890 8.890 8.402 0.488 18048 6550 1 25 . 1 1 65 65 GLN N N 65 116.700 116.700 117.302 -0.602 18048 6551 1 25 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.142 -0.852 18048 6552 1 25 . 1 1 65 65 GLN C C 65 176.200 176.200 178.522 -2.322 18048 6553 1 25 . 1 1 65 65 GLN CA C 65 55.900 55.900 57.966 -2.066 18048 6554 1 25 . 1 1 65 65 GLN CB C 65 24.700 24.700 27.886 -3.186 18048 6555 1 25 . 1 1 65 65 GLN H H 65 8.310 8.310 8.642 -0.332 18048 6556 1 25 . 1 1 66 66 TRP N N 66 119.500 119.500 119.197 0.303 18048 6557 1 25 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.567 -0.557 18048 6558 1 25 . 1 1 66 66 TRP C C 66 175.100 175.100 177.494 -2.394 18048 6559 1 25 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.122 -1.022 18048 6560 1 25 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.815 -5.215 18048 6561 1 25 . 1 1 66 66 TRP H H 66 7.750 7.750 8.156 -0.406 18048 6562 1 25 . 1 1 67 67 ARG N N 67 122.300 122.300 119.216 3.084 18048 6563 1 25 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.257 -0.207 18048 6564 1 25 . 1 1 67 67 ARG C C 67 177.800 177.800 177.747 0.053 18048 6565 1 25 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.185 -1.685 18048 6566 1 25 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.519 -5.219 18048 6567 1 25 . 1 1 67 67 ARG H H 67 8.640 8.640 7.575 1.065 18048 6568 1 25 . 1 1 68 68 LYS N N 68 118.400 118.400 120.032 -1.632 18048 6569 1 25 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.263 -0.873 18048 6570 1 25 . 1 1 68 68 LYS C C 68 173.800 173.800 176.152 -2.352 18048 6571 1 25 . 1 1 68 68 LYS CA C 68 55.500 55.500 56.773 -1.273 18048 6572 1 25 . 1 1 68 68 LYS CB C 68 28.000 28.000 31.460 -3.460 18048 6573 1 25 . 1 1 68 68 LYS H H 68 7.860 7.860 8.144 -0.284 18048 6574 1 25 . 1 1 69 69 SER N N 69 114.500 114.500 113.314 1.186 18048 6575 1 25 . 1 1 69 69 SER HA H 69 4.200 4.200 4.471 -0.271 18048 6576 1 25 . 1 1 69 69 SER C C 69 170.300 170.300 173.131 -2.831 18048 6577 1 25 . 1 1 69 69 SER CA C 69 55.700 55.700 58.222 -2.522 18048 6578 1 25 . 1 1 69 69 SER CB C 69 61.500 61.500 63.495 -1.995 18048 6579 1 25 . 1 1 69 69 SER H H 69 7.060 7.060 8.062 -1.002 18048 6580 1 27 . 1 1 2 2 GLU N N 2 122.400 122.400 121.056 1.344 18048 6581 1 27 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.298 -0.168 18048 6582 1 27 . 1 1 2 2 GLU C C 2 173.800 173.800 176.625 -2.825 18048 6583 1 27 . 1 1 2 2 GLU CA C 2 54.100 54.100 55.996 -1.896 18048 6584 1 27 . 1 1 2 2 GLU CB C 2 27.300 27.300 29.932 -2.632 18048 6585 1 27 . 1 1 2 2 GLU H H 2 8.490 8.490 8.623 -0.133 18048 6586 1 27 . 1 1 3 3 SER N N 3 116.300 116.300 115.750 0.550 18048 6587 1 27 . 1 1 3 3 SER HA H 3 4.240 4.240 4.251 -0.011 18048 6588 1 27 . 1 1 3 3 SER C C 3 171.500 171.500 174.562 -3.062 18048 6589 1 27 . 1 1 3 3 SER CA C 3 55.800 55.800 58.709 -2.909 18048 6590 1 27 . 1 1 3 3 SER CB C 3 60.900 60.900 63.370 -2.470 18048 6591 1 27 . 1 1 3 3 SER H H 3 8.210 8.210 7.565 0.645 18048 6592 1 27 . 1 1 4 4 PHE N N 4 121.700 121.700 119.595 2.105 18048 6593 1 27 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.231 0.249 18048 6594 1 27 . 1 1 4 4 PHE C C 4 172.800 172.800 175.760 -2.960 18048 6595 1 27 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.789 -3.789 18048 6596 1 27 . 1 1 4 4 PHE CB C 4 36.500 36.500 38.500 -2.000 18048 6597 1 27 . 1 1 4 4 PHE H H 4 8.040 8.040 7.680 0.360 18048 6598 1 27 . 1 1 5 5 LYS N N 5 122.600 122.600 119.926 2.674 18048 6599 1 27 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.473 -0.353 18048 6600 1 27 . 1 1 5 5 LYS C C 5 173.400 173.400 176.541 -3.141 18048 6601 1 27 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.291 -2.891 18048 6602 1 27 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.351 -3.251 18048 6603 1 27 . 1 1 5 5 LYS H H 5 7.990 7.990 8.431 -0.441 18048 6604 1 27 . 1 1 6 6 LYS N N 6 122.800 122.800 122.202 0.598 18048 6605 1 27 . 1 1 6 6 LYS C C 6 173.700 173.700 176.385 -2.685 18048 6606 1 27 . 1 1 6 6 LYS CA C 6 53.700 53.700 57.288 -3.588 18048 6607 1 27 . 1 1 6 6 LYS H H 6 8.160 8.160 7.916 0.244 18048 6608 1 27 . 1 1 7 7 GLN N N 7 120.800 120.800 122.464 -1.664 18048 6609 1 27 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.446 0.084 18048 6610 1 27 . 1 1 7 7 GLN C C 7 173.600 173.600 176.673 -3.073 18048 6611 1 27 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.692 -2.992 18048 6612 1 27 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.457 -2.157 18048 6613 1 27 . 1 1 7 7 GLN H H 7 8.240 8.240 8.621 -0.381 18048 6614 1 27 . 1 1 8 8 GLU N N 8 121.400 121.400 121.044 0.356 18048 6615 1 27 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.240 -0.040 18048 6616 1 27 . 1 1 8 8 GLU C C 8 173.100 173.100 177.006 -3.906 18048 6617 1 27 . 1 1 8 8 GLU CA C 8 52.900 52.900 57.541 -4.641 18048 6618 1 27 . 1 1 8 8 GLU CB C 8 27.600 27.600 29.917 -2.317 18048 6619 1 27 . 1 1 8 8 GLU H H 8 8.270 8.270 8.701 -0.431 18048 6620 1 27 . 1 1 9 9 LYS N N 9 123.000 123.000 118.948 4.052 18048 6621 1 27 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.132 0.108 18048 6622 1 27 . 1 1 9 9 LYS C C 9 173.700 173.700 175.322 -1.622 18048 6623 1 27 . 1 1 9 9 LYS CA C 9 53.500 53.500 57.260 -3.760 18048 6624 1 27 . 1 1 9 9 LYS CB C 9 30.100 30.100 31.080 -0.980 18048 6625 1 27 . 1 1 9 9 LYS H H 9 8.390 8.390 8.420 -0.030 18048 6626 1 27 . 1 1 10 10 THR N N 10 117.900 117.900 111.560 6.340 18048 6627 1 27 . 1 1 10 10 THR HA H 10 4.450 4.450 4.549 -0.099 18048 6628 1 27 . 1 1 10 10 THR C C 10 170.000 170.000 172.638 -2.638 18048 6629 1 27 . 1 1 10 10 THR CA C 10 57.000 57.000 60.181 -3.182 18048 6630 1 27 . 1 1 10 10 THR CB C 10 66.800 66.800 69.716 -2.916 18048 6631 1 27 . 1 1 10 10 THR H H 10 8.140 8.140 7.852 0.288 18048 6632 1 27 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.724 -0.414 18048 6633 1 27 . 1 1 11 11 PRO C C 11 173.800 173.800 176.054 -2.254 18048 6634 1 27 . 1 1 11 11 PRO CA C 11 60.400 60.400 62.625 -2.225 18048 6635 1 27 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.779 -3.479 18048 6636 1 27 . 1 1 12 12 LYS N N 12 121.700 121.700 120.528 1.172 18048 6637 1 27 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.594 -0.384 18048 6638 1 27 . 1 1 12 12 LYS CA C 12 53.500 53.500 55.701 -2.201 18048 6639 1 27 . 1 1 12 12 LYS CB C 12 30.200 30.200 34.660 -4.460 18048 6640 1 27 . 1 1 12 12 LYS H H 12 8.380 8.380 8.431 -0.051 18048 6641 1 27 . 1 1 13 13 THR N N 13 115.600 115.600 117.895 -2.295 18048 6642 1 27 . 1 1 13 13 THR HA H 13 4.360 4.360 4.675 -0.315 18048 6643 1 27 . 1 1 13 13 THR C C 13 169.800 169.800 172.535 -2.735 18048 6644 1 27 . 1 1 13 13 THR CA C 13 55.800 55.800 60.405 -4.605 18048 6645 1 27 . 1 1 13 13 THR CB C 13 67.800 67.800 69.134 -1.334 18048 6646 1 27 . 1 1 13 13 THR H H 13 7.940 7.940 8.287 -0.347 18048 6647 1 27 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.574 -0.184 18048 6648 1 27 . 1 1 14 14 PRO C C 14 174.000 174.000 175.745 -1.745 18048 6649 1 27 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.752 -2.451 18048 6650 1 27 . 1 1 14 14 PRO CB C 14 29.200 29.200 31.887 -2.688 18048 6651 1 27 . 1 1 15 15 LYS N N 15 121.700 121.700 124.600 -2.900 18048 6652 1 27 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.522 -0.312 18048 6653 1 27 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.480 -1.980 18048 6654 1 27 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.123 -3.823 18048 6655 1 27 . 1 1 15 15 LYS H H 15 8.360 8.360 8.249 0.111 18048 6656 1 27 . 1 1 16 16 GLY N N 16 110.100 110.100 109.451 0.649 18048 6657 1 27 . 1 1 16 16 GLY C C 16 168.900 168.900 173.451 -4.551 18048 6658 1 27 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.438 -2.738 18048 6659 1 27 . 1 1 16 16 GLY H H 16 8.220 8.220 8.495 -0.275 18048 6660 1 27 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.491 -0.111 18048 6661 1 27 . 1 1 17 17 PRO C C 17 174.600 174.600 176.076 -1.476 18048 6662 1 27 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.216 -1.716 18048 6663 1 27 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.607 -3.207 18048 6664 1 27 . 1 1 18 18 SER N N 18 116.500 116.500 113.315 3.185 18048 6665 1 27 . 1 1 18 18 SER HA H 18 4.420 4.420 4.332 0.088 18048 6666 1 27 . 1 1 18 18 SER C C 18 171.300 171.300 175.206 -3.906 18048 6667 1 27 . 1 1 18 18 SER CA C 18 55.900 55.900 59.526 -3.626 18048 6668 1 27 . 1 1 18 18 SER CB C 18 61.400 61.400 63.433 -2.033 18048 6669 1 27 . 1 1 18 18 SER H H 18 8.520 8.520 8.170 0.350 18048 6670 1 27 . 1 1 19 19 SER N N 19 117.700 117.700 115.887 1.813 18048 6671 1 27 . 1 1 19 19 SER HA H 19 4.370 4.370 4.537 -0.167 18048 6672 1 27 . 1 1 19 19 SER C C 19 172.600 172.600 176.149 -3.549 18048 6673 1 27 . 1 1 19 19 SER CA C 19 55.500 55.500 56.258 -0.758 18048 6674 1 27 . 1 1 19 19 SER CB C 19 61.400 61.400 64.014 -2.614 18048 6675 1 27 . 1 1 19 19 SER H H 19 8.490 8.490 7.567 0.923 18048 6676 1 27 . 1 1 20 20 VAL N N 20 120.500 120.500 122.181 -1.681 18048 6677 1 27 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.768 -0.278 18048 6678 1 27 . 1 1 20 20 VAL C C 20 174.300 174.300 177.162 -2.862 18048 6679 1 27 . 1 1 20 20 VAL CA C 20 63.500 63.500 64.951 -1.451 18048 6680 1 27 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.215 -2.315 18048 6681 1 27 . 1 1 20 20 VAL H H 20 8.310 8.310 8.677 -0.367 18048 6682 1 27 . 1 1 21 21 GLU N N 21 118.700 118.700 119.077 -0.377 18048 6683 1 27 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.869 -0.239 18048 6684 1 27 . 1 1 21 21 GLU C C 21 176.300 176.300 178.465 -2.165 18048 6685 1 27 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.939 -2.039 18048 6686 1 27 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.703 -2.804 18048 6687 1 27 . 1 1 21 21 GLU H H 21 8.110 8.110 7.614 0.496 18048 6688 1 27 . 1 1 22 22 ASP N N 22 120.400 120.400 119.992 0.408 18048 6689 1 27 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.337 -0.077 18048 6690 1 27 . 1 1 22 22 ASP C C 22 175.600 175.600 178.255 -2.655 18048 6691 1 27 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.370 -3.170 18048 6692 1 27 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.639 -2.739 18048 6693 1 27 . 1 1 22 22 ASP H H 22 7.810 7.810 7.874 -0.064 18048 6694 1 27 . 1 1 23 23 ILE N N 23 120.900 120.900 120.384 0.516 18048 6695 1 27 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.762 -0.662 18048 6696 1 27 . 1 1 23 23 ILE C C 23 175.100 175.100 178.139 -3.039 18048 6697 1 27 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.131 -1.831 18048 6698 1 27 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.710 -3.410 18048 6699 1 27 . 1 1 23 23 ILE H H 23 7.670 7.670 7.623 0.047 18048 6700 1 27 . 1 1 24 24 LYS N N 24 120.000 120.000 120.254 -0.254 18048 6701 1 27 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.178 -1.088 18048 6702 1 27 . 1 1 24 24 LYS C C 24 175.400 175.400 179.821 -4.421 18048 6703 1 27 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.217 -1.817 18048 6704 1 27 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.227 -1.627 18048 6705 1 27 . 1 1 24 24 LYS H H 24 8.060 8.060 8.033 0.027 18048 6706 1 27 . 1 1 25 25 ALA N N 25 119.000 119.000 122.883 -3.883 18048 6707 1 27 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.234 -0.204 18048 6708 1 27 . 1 1 25 25 ALA C C 25 178.700 178.700 179.705 -1.005 18048 6709 1 27 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.389 -3.089 18048 6710 1 27 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.391 -3.691 18048 6711 1 27 . 1 1 25 25 ALA H H 25 7.410 7.410 8.383 -0.973 18048 6712 1 27 . 1 1 26 26 LYS N N 26 120.100 120.100 118.580 1.520 18048 6713 1 27 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.107 -0.057 18048 6714 1 27 . 1 1 26 26 LYS C C 26 177.600 177.600 179.176 -1.576 18048 6715 1 27 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.357 -2.757 18048 6716 1 27 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.379 -2.779 18048 6717 1 27 . 1 1 26 26 LYS H H 26 7.760 7.760 8.289 -0.529 18048 6718 1 27 . 1 1 27 27 MET N N 27 120.900 120.900 120.666 0.234 18048 6719 1 27 . 1 1 27 27 MET HA H 27 4.220 4.220 4.265 -0.045 18048 6720 1 27 . 1 1 27 27 MET C C 27 175.900 175.900 178.399 -2.499 18048 6721 1 27 . 1 1 27 27 MET CA C 27 58.000 58.000 60.033 -2.033 18048 6722 1 27 . 1 1 27 27 MET CB C 27 30.600 30.600 33.034 -2.434 18048 6723 1 27 . 1 1 27 27 MET H H 27 8.620 8.620 8.717 -0.097 18048 6724 1 27 . 1 1 28 28 GLN N N 28 119.700 119.700 118.279 1.421 18048 6725 1 27 . 1 1 28 28 GLN HA H 28 4.040 4.040 3.995 0.045 18048 6726 1 27 . 1 1 28 28 GLN C C 28 175.500 175.500 178.726 -3.226 18048 6727 1 27 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.308 -1.608 18048 6728 1 27 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.812 -2.112 18048 6729 1 27 . 1 1 28 28 GLN H H 28 8.970 8.970 8.134 0.836 18048 6730 1 27 . 1 1 29 29 ALA N N 29 120.900 120.900 122.616 -1.716 18048 6731 1 27 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.005 0.155 18048 6732 1 27 . 1 1 29 29 ALA C C 29 177.500 177.500 180.003 -2.503 18048 6733 1 27 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.085 -2.985 18048 6734 1 27 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.225 -3.425 18048 6735 1 27 . 1 1 29 29 ALA H H 29 7.940 7.940 8.399 -0.459 18048 6736 1 27 . 1 1 30 30 SER N N 30 112.900 112.900 115.253 -2.353 18048 6737 1 27 . 1 1 30 30 SER HA H 30 4.180 4.180 4.224 -0.044 18048 6738 1 27 . 1 1 30 30 SER CA C 30 58.900 58.900 62.919 -4.019 18048 6739 1 27 . 1 1 30 30 SER CB C 30 60.000 60.000 63.303 -3.303 18048 6740 1 27 . 1 1 30 30 SER H H 30 7.780 7.780 8.136 -0.356 18048 6741 1 27 . 1 1 31 31 ILE N N 31 122.000 122.000 121.695 0.305 18048 6742 1 27 . 1 1 31 31 ILE HA H 31 3.850 3.850 4.129 -0.279 18048 6743 1 27 . 1 1 31 31 ILE C C 31 173.900 173.900 176.932 -3.032 18048 6744 1 27 . 1 1 31 31 ILE CA C 31 61.500 61.500 63.147 -1.647 18048 6745 1 27 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.200 -3.300 18048 6746 1 27 . 1 1 31 31 ILE H H 31 7.940 7.940 8.138 -0.198 18048 6747 1 27 . 1 1 32 32 GLU N N 32 121.800 121.800 118.290 3.510 18048 6748 1 27 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.317 -0.287 18048 6749 1 27 . 1 1 32 32 GLU C C 32 175.200 175.200 177.005 -1.805 18048 6750 1 27 . 1 1 32 32 GLU CA C 32 56.300 56.300 57.111 -0.811 18048 6751 1 27 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.259 -3.759 18048 6752 1 27 . 1 1 32 32 GLU H H 32 8.140 8.140 8.226 -0.086 18048 6753 1 27 . 1 1 33 33 LYS N N 33 116.200 116.200 117.552 -1.352 18048 6754 1 27 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.533 -0.153 18048 6755 1 27 . 1 1 33 33 LYS C C 33 173.800 173.800 176.472 -2.672 18048 6756 1 27 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.314 -3.414 18048 6757 1 27 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.688 -4.188 18048 6758 1 27 . 1 1 33 33 LYS H H 33 7.350 7.350 8.099 -0.749 18048 6759 1 27 . 1 1 34 34 GLY N N 34 107.400 107.400 106.961 0.439 18048 6760 1 27 . 1 1 34 34 GLY C C 34 172.400 172.400 174.256 -1.856 18048 6761 1 27 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.181 -2.580 18048 6762 1 27 . 1 1 34 34 GLY H H 34 7.830 7.830 7.833 -0.003 18048 6763 1 27 . 1 1 35 35 GLY N N 35 109.200 109.200 110.329 -1.129 18048 6764 1 27 . 1 1 35 35 GLY C C 35 169.500 169.500 174.752 -5.252 18048 6765 1 27 . 1 1 35 35 GLY CA C 35 41.600 41.600 44.555 -2.955 18048 6766 1 27 . 1 1 35 35 GLY H H 35 8.330 8.330 8.147 0.183 18048 6767 1 27 . 1 1 36 36 SER N N 36 112.700 112.700 114.935 -2.235 18048 6768 1 27 . 1 1 36 36 SER HA H 36 4.610 4.610 4.045 0.565 18048 6769 1 27 . 1 1 36 36 SER C C 36 171.000 171.000 173.363 -2.363 18048 6770 1 27 . 1 1 36 36 SER CA C 36 54.000 54.000 58.770 -4.770 18048 6771 1 27 . 1 1 36 36 SER CB C 36 62.300 62.300 63.365 -1.065 18048 6772 1 27 . 1 1 36 36 SER H H 36 8.150 8.150 8.484 -0.334 18048 6773 1 27 . 1 1 37 37 LEU N N 37 122.700 122.700 117.843 4.857 18048 6774 1 27 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.550 0.610 18048 6775 1 27 . 1 1 37 37 LEU C C 37 173.600 173.600 174.670 -1.070 18048 6776 1 27 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.632 -1.232 18048 6777 1 27 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.696 -0.196 18048 6778 1 27 . 1 1 37 37 LEU H H 37 8.380 8.380 8.082 0.298 18048 6779 1 27 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.662 -0.392 18048 6780 1 27 . 1 1 38 38 PRO C C 38 174.400 174.400 177.093 -2.693 18048 6781 1 27 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.161 -0.761 18048 6782 1 27 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.777 -2.977 18048 6783 1 27 . 1 1 39 39 LYS N N 39 122.300 122.300 120.440 1.860 18048 6784 1 27 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.413 -0.033 18048 6785 1 27 . 1 1 39 39 LYS C C 39 172.300 172.300 176.778 -4.478 18048 6786 1 27 . 1 1 39 39 LYS CA C 39 53.700 53.700 57.123 -3.422 18048 6787 1 27 . 1 1 39 39 LYS CB C 39 31.300 31.300 32.998 -1.698 18048 6788 1 27 . 1 1 39 39 LYS H H 39 8.920 8.920 8.475 0.445 18048 6789 1 27 . 1 1 40 40 VAL N N 40 118.500 118.500 121.812 -3.312 18048 6790 1 27 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.016 0.264 18048 6791 1 27 . 1 1 40 40 VAL C C 40 173.600 173.600 176.764 -3.164 18048 6792 1 27 . 1 1 40 40 VAL CA C 40 58.100 58.100 63.048 -4.948 18048 6793 1 27 . 1 1 40 40 VAL CB C 40 31.400 31.400 32.469 -1.069 18048 6794 1 27 . 1 1 40 40 VAL H H 40 7.000 7.000 7.967 -0.967 18048 6795 1 27 . 1 1 41 41 GLU N N 41 131.800 131.800 128.492 3.308 18048 6796 1 27 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.592 0.358 18048 6797 1 27 . 1 1 41 41 GLU C C 41 174.700 174.700 178.205 -3.505 18048 6798 1 27 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.966 -2.266 18048 6799 1 27 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.543 -2.443 18048 6800 1 27 . 1 1 41 41 GLU H H 41 8.820 8.820 9.108 -0.288 18048 6801 1 27 . 1 1 42 42 ALA N N 42 117.700 117.700 120.519 -2.819 18048 6802 1 27 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.105 -0.315 18048 6803 1 27 . 1 1 42 42 ALA C C 42 178.000 178.000 179.743 -1.743 18048 6804 1 27 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.815 -1.915 18048 6805 1 27 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.149 -2.749 18048 6806 1 27 . 1 1 42 42 ALA H H 42 8.630 8.630 8.493 0.137 18048 6807 1 27 . 1 1 43 43 LYS N N 43 113.500 113.500 119.922 -6.422 18048 6808 1 27 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.424 -0.334 18048 6809 1 27 . 1 1 43 43 LYS C C 43 176.600 176.600 179.185 -2.585 18048 6810 1 27 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.996 -3.796 18048 6811 1 27 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.425 -2.425 18048 6812 1 27 . 1 1 43 43 LYS H H 43 6.530 6.530 7.608 -1.078 18048 6813 1 27 . 1 1 44 44 PHE N N 44 123.600 123.600 121.444 2.156 18048 6814 1 27 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.338 -0.398 18048 6815 1 27 . 1 1 44 44 PHE C C 44 173.300 173.300 177.286 -3.986 18048 6816 1 27 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.413 -1.113 18048 6817 1 27 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.099 -2.399 18048 6818 1 27 . 1 1 44 44 PHE H H 44 8.610 8.610 8.489 0.121 18048 6819 1 27 . 1 1 45 45 ILE N N 45 119.600 119.600 119.463 0.137 18048 6820 1 27 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.321 0.049 18048 6821 1 27 . 1 1 45 45 ILE C C 45 174.700 174.700 177.470 -2.770 18048 6822 1 27 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.871 -2.371 18048 6823 1 27 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.637 -2.637 18048 6824 1 27 . 1 1 45 45 ILE H H 45 8.690 8.690 8.516 0.174 18048 6825 1 27 . 1 1 46 46 ASN N N 46 115.900 115.900 119.095 -3.195 18048 6826 1 27 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.299 -0.049 18048 6827 1 27 . 1 1 46 46 ASN C C 46 173.800 173.800 177.404 -3.604 18048 6828 1 27 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.380 -2.580 18048 6829 1 27 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.251 -2.651 18048 6830 1 27 . 1 1 46 46 ASN H H 46 7.320 7.320 8.048 -0.728 18048 6831 1 27 . 1 1 47 47 TYR N N 47 120.900 120.900 122.815 -1.915 18048 6832 1 27 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.132 0.158 18048 6833 1 27 . 1 1 47 47 TYR C C 47 174.400 174.400 177.894 -3.494 18048 6834 1 27 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.896 -3.696 18048 6835 1 27 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.602 -2.802 18048 6836 1 27 . 1 1 47 47 TYR H H 47 7.840 7.840 8.416 -0.576 18048 6837 1 27 . 1 1 48 48 VAL N N 48 117.800 117.800 119.484 -1.684 18048 6838 1 27 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.194 0.276 18048 6839 1 27 . 1 1 48 48 VAL C C 48 176.300 176.300 177.588 -1.288 18048 6840 1 27 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.689 -2.889 18048 6841 1 27 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.375 -2.975 18048 6842 1 27 . 1 1 48 48 VAL H H 48 8.260 8.260 8.334 -0.074 18048 6843 1 27 . 1 1 49 49 LYS N N 49 119.700 119.700 118.311 1.389 18048 6844 1 27 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.108 -0.158 18048 6845 1 27 . 1 1 49 49 LYS C C 49 176.400 176.400 178.752 -2.352 18048 6846 1 27 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.175 -1.575 18048 6847 1 27 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.070 -2.170 18048 6848 1 27 . 1 1 49 49 LYS H H 49 8.070 8.070 8.079 -0.009 18048 6849 1 27 . 1 1 50 50 ASN N N 50 115.600 115.600 116.846 -1.246 18048 6850 1 27 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.480 -0.130 18048 6851 1 27 . 1 1 50 50 ASN C C 50 174.100 174.100 176.767 -2.667 18048 6852 1 27 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.305 -2.305 18048 6853 1 27 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.547 -2.247 18048 6854 1 27 . 1 1 50 50 ASN H H 50 8.080 8.080 7.819 0.261 18048 6855 1 27 . 1 1 51 51 CYS N N 51 115.800 115.800 116.728 -0.928 18048 6856 1 27 . 1 1 51 51 CYS C C 51 172.800 172.800 174.144 -1.344 18048 6857 1 27 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.791 -2.991 18048 6858 1 27 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.240 -4.040 18048 6859 1 27 . 1 1 51 51 CYS H H 51 8.480 8.480 7.670 0.810 18048 6860 1 27 . 1 1 52 52 PHE N N 52 112.700 112.700 117.297 -4.597 18048 6861 1 27 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.482 0.138 18048 6862 1 27 . 1 1 52 52 PHE C C 52 171.900 171.900 174.407 -2.507 18048 6863 1 27 . 1 1 52 52 PHE CA C 52 54.600 54.600 58.608 -4.008 18048 6864 1 27 . 1 1 52 52 PHE CB C 52 36.900 36.900 40.013 -3.113 18048 6865 1 27 . 1 1 52 52 PHE H H 52 7.230 7.230 8.234 -1.004 18048 6866 1 27 . 1 1 53 53 ARG N N 53 114.500 114.500 117.694 -3.194 18048 6867 1 27 . 1 1 53 53 ARG C C 53 172.000 172.000 174.889 -2.889 18048 6868 1 27 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.947 -2.047 18048 6869 1 27 . 1 1 53 53 ARG CB C 53 23.500 23.500 32.016 -8.516 18048 6870 1 27 . 1 1 53 53 ARG H H 53 7.200 7.200 8.129 -0.929 18048 6871 1 27 . 1 1 54 54 MET N N 54 116.800 116.800 117.095 -0.295 18048 6872 1 27 . 1 1 54 54 MET HA H 54 4.430 4.430 4.281 0.149 18048 6873 1 27 . 1 1 54 54 MET C C 54 172.600 172.600 175.741 -3.141 18048 6874 1 27 . 1 1 54 54 MET CA C 54 52.800 52.800 56.591 -3.791 18048 6875 1 27 . 1 1 54 54 MET CB C 54 31.500 31.500 31.863 -0.362 18048 6876 1 27 . 1 1 54 54 MET H H 54 6.770 6.770 8.223 -1.453 18048 6877 1 27 . 1 1 55 55 THR N N 55 110.800 110.800 112.052 -1.252 18048 6878 1 27 . 1 1 55 55 THR HA H 55 4.280 4.280 4.384 -0.104 18048 6879 1 27 . 1 1 55 55 THR C C 55 171.800 171.800 173.940 -2.140 18048 6880 1 27 . 1 1 55 55 THR CA C 55 58.400 58.400 61.563 -3.163 18048 6881 1 27 . 1 1 55 55 THR CB C 55 67.400 67.400 69.691 -2.291 18048 6882 1 27 . 1 1 55 55 THR H H 55 8.480 8.480 8.267 0.213 18048 6883 1 27 . 1 1 56 56 ASP N N 56 123.800 123.800 124.083 -0.283 18048 6884 1 27 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.693 -0.213 18048 6885 1 27 . 1 1 56 56 ASP C C 56 173.200 173.200 176.293 -3.093 18048 6886 1 27 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.992 -3.392 18048 6887 1 27 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.425 -2.325 18048 6888 1 27 . 1 1 56 56 ASP H H 56 7.450 7.450 8.143 -0.693 18048 6889 1 27 . 1 1 57 57 GLN N N 57 126.600 126.600 125.833 0.767 18048 6890 1 27 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.980 -0.180 18048 6891 1 27 . 1 1 57 57 GLN C C 57 175.400 175.400 177.199 -1.799 18048 6892 1 27 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.966 -2.366 18048 6893 1 27 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.680 -3.080 18048 6894 1 27 . 1 1 57 57 GLN H H 57 8.880 8.880 8.899 -0.019 18048 6895 1 27 . 1 1 58 58 GLU N N 58 119.400 119.400 120.029 -0.629 18048 6896 1 27 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.042 -0.062 18048 6897 1 27 . 1 1 58 58 GLU C C 58 175.900 175.900 177.959 -2.059 18048 6898 1 27 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.819 -2.919 18048 6899 1 27 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.862 -2.562 18048 6900 1 27 . 1 1 58 58 GLU H H 58 8.220 8.220 8.648 -0.428 18048 6901 1 27 . 1 1 59 59 ALA N N 59 123.300 123.300 121.366 1.934 18048 6902 1 27 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.207 -0.107 18048 6903 1 27 . 1 1 59 59 ALA C C 59 177.400 177.400 180.080 -2.680 18048 6904 1 27 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.812 -2.912 18048 6905 1 27 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.239 -2.339 18048 6906 1 27 . 1 1 59 59 ALA H H 59 7.710 7.710 7.389 0.321 18048 6907 1 27 . 1 1 60 60 ILE N N 60 117.300 117.300 119.842 -2.542 18048 6908 1 27 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.722 -0.222 18048 6909 1 27 . 1 1 60 60 ILE C C 60 175.100 175.100 177.931 -2.831 18048 6910 1 27 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.820 -2.020 18048 6911 1 27 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.053 -3.253 18048 6912 1 27 . 1 1 60 60 ILE H H 60 8.130 8.130 8.370 -0.240 18048 6913 1 27 . 1 1 61 61 GLN N N 61 118.800 118.800 118.917 -0.117 18048 6914 1 27 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.259 -0.079 18048 6915 1 27 . 1 1 61 61 GLN C C 61 175.900 175.900 178.247 -2.347 18048 6916 1 27 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.828 -2.528 18048 6917 1 27 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.957 -2.957 18048 6918 1 27 . 1 1 61 61 GLN H H 61 8.000 8.000 8.549 -0.549 18048 6919 1 27 . 1 1 62 62 ASP N N 62 121.000 121.000 121.512 -0.512 18048 6920 1 27 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.491 -0.101 18048 6921 1 27 . 1 1 62 62 ASP C C 62 177.200 177.200 178.751 -1.551 18048 6922 1 27 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.404 -2.404 18048 6923 1 27 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.097 -3.197 18048 6924 1 27 . 1 1 62 62 ASP H H 62 8.020 8.020 8.150 -0.130 18048 6925 1 27 . 1 1 63 63 LEU N N 63 120.700 120.700 120.490 0.210 18048 6926 1 27 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.272 -0.072 18048 6927 1 27 . 1 1 63 63 LEU C C 63 175.600 175.600 179.684 -4.084 18048 6928 1 27 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.059 -2.659 18048 6929 1 27 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.184 -2.784 18048 6930 1 27 . 1 1 63 63 LEU H H 63 8.220 8.220 8.499 -0.279 18048 6931 1 27 . 1 1 64 64 TRP N N 64 122.400 122.400 119.059 3.341 18048 6932 1 27 . 1 1 64 64 TRP HA H 64 4.030 4.030 3.765 0.265 18048 6933 1 27 . 1 1 64 64 TRP C C 64 173.500 173.500 177.474 -3.974 18048 6934 1 27 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.287 -4.087 18048 6935 1 27 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.137 -2.337 18048 6936 1 27 . 1 1 64 64 TRP H H 64 8.890 8.890 8.526 0.364 18048 6937 1 27 . 1 1 65 65 GLN N N 65 116.700 116.700 116.115 0.585 18048 6938 1 27 . 1 1 65 65 GLN HA H 65 3.290 3.290 4.049 -0.759 18048 6939 1 27 . 1 1 65 65 GLN C C 65 176.200 176.200 177.940 -1.740 18048 6940 1 27 . 1 1 65 65 GLN CA C 65 55.900 55.900 57.318 -1.418 18048 6941 1 27 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.547 -3.847 18048 6942 1 27 . 1 1 65 65 GLN H H 65 8.310 8.310 8.153 0.157 18048 6943 1 27 . 1 1 66 66 TRP N N 66 119.500 119.500 120.632 -1.132 18048 6944 1 27 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.477 -0.467 18048 6945 1 27 . 1 1 66 66 TRP C C 66 175.100 175.100 176.518 -1.418 18048 6946 1 27 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.071 -0.971 18048 6947 1 27 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.940 -5.340 18048 6948 1 27 . 1 1 66 66 TRP H H 66 7.750 7.750 8.396 -0.646 18048 6949 1 27 . 1 1 67 67 ARG N N 67 122.300 122.300 116.580 5.720 18048 6950 1 27 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.285 -0.235 18048 6951 1 27 . 1 1 67 67 ARG C C 67 177.800 177.800 176.417 1.383 18048 6952 1 27 . 1 1 67 67 ARG CA C 67 56.500 56.500 56.934 -0.433 18048 6953 1 27 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.299 -5.000 18048 6954 1 27 . 1 1 67 67 ARG H H 67 8.640 8.640 7.629 1.011 18048 6955 1 27 . 1 1 68 68 LYS N N 68 118.400 118.400 118.646 -0.246 18048 6956 1 27 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.232 -0.842 18048 6957 1 27 . 1 1 68 68 LYS C C 68 173.800 173.800 177.563 -3.763 18048 6958 1 27 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.274 -1.774 18048 6959 1 27 . 1 1 68 68 LYS CB C 68 28.000 28.000 34.507 -6.506 18048 6960 1 27 . 1 1 68 68 LYS H H 68 7.860 7.860 7.684 0.176 18048 6961 1 27 . 1 1 69 69 SER N N 69 114.500 114.500 118.479 -3.979 18048 6962 1 27 . 1 1 69 69 SER HA H 69 4.200 4.200 4.361 -0.161 18048 6963 1 27 . 1 1 69 69 SER C C 69 170.300 170.300 174.512 -4.212 18048 6964 1 27 . 1 1 69 69 SER CA C 69 55.700 55.700 58.381 -2.681 18048 6965 1 27 . 1 1 69 69 SER CB C 69 61.500 61.500 62.005 -0.505 18048 6966 1 27 . 1 1 69 69 SER H H 69 7.060 7.060 8.294 -1.234 18048 6967 1 28 . 1 1 2 2 GLU N N 2 122.400 122.400 122.376 0.024 18048 6968 1 28 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.338 -0.208 18048 6969 1 28 . 1 1 2 2 GLU C C 2 173.800 173.800 176.921 -3.121 18048 6970 1 28 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.691 -2.591 18048 6971 1 28 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.166 -2.866 18048 6972 1 28 . 1 1 2 2 GLU H H 2 8.490 8.490 8.293 0.197 18048 6973 1 28 . 1 1 3 3 SER N N 3 116.300 116.300 119.954 -3.654 18048 6974 1 28 . 1 1 3 3 SER HA H 3 4.240 4.240 4.596 -0.356 18048 6975 1 28 . 1 1 3 3 SER C C 3 171.500 171.500 173.573 -2.073 18048 6976 1 28 . 1 1 3 3 SER CA C 3 55.800 55.800 58.826 -3.026 18048 6977 1 28 . 1 1 3 3 SER CB C 3 60.900 60.900 61.944 -1.044 18048 6978 1 28 . 1 1 3 3 SER H H 3 8.210 8.210 8.803 -0.593 18048 6979 1 28 . 1 1 4 4 PHE N N 4 121.700 121.700 122.511 -0.811 18048 6980 1 28 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.745 -0.265 18048 6981 1 28 . 1 1 4 4 PHE C C 4 172.800 172.800 174.339 -1.539 18048 6982 1 28 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.416 -3.416 18048 6983 1 28 . 1 1 4 4 PHE CB C 4 36.500 36.500 41.945 -5.445 18048 6984 1 28 . 1 1 4 4 PHE H H 4 8.040 8.040 7.729 0.311 18048 6985 1 28 . 1 1 5 5 LYS N N 5 122.600 122.600 121.981 0.619 18048 6986 1 28 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.373 -0.253 18048 6987 1 28 . 1 1 5 5 LYS C C 5 173.400 173.400 174.703 -1.303 18048 6988 1 28 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.440 -3.040 18048 6989 1 28 . 1 1 5 5 LYS CB C 5 30.100 30.100 34.066 -3.966 18048 6990 1 28 . 1 1 5 5 LYS H H 5 7.990 7.990 7.861 0.129 18048 6991 1 28 . 1 1 6 6 LYS N N 6 122.800 122.800 119.891 2.909 18048 6992 1 28 . 1 1 6 6 LYS C C 6 173.700 173.700 174.776 -1.076 18048 6993 1 28 . 1 1 6 6 LYS CA C 6 53.700 53.700 55.329 -1.629 18048 6994 1 28 . 1 1 6 6 LYS H H 6 8.160 8.160 7.364 0.796 18048 6995 1 28 . 1 1 7 7 GLN N N 7 120.800 120.800 120.653 0.147 18048 6996 1 28 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.354 0.176 18048 6997 1 28 . 1 1 7 7 GLN C C 7 173.600 173.600 175.446 -1.846 18048 6998 1 28 . 1 1 7 7 GLN CA C 7 53.700 53.700 55.919 -2.219 18048 6999 1 28 . 1 1 7 7 GLN CB C 7 27.300 27.300 30.822 -3.522 18048 7000 1 28 . 1 1 7 7 GLN H H 7 8.240 8.240 8.489 -0.249 18048 7001 1 28 . 1 1 8 8 GLU N N 8 121.400 121.400 122.688 -1.288 18048 7002 1 28 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.577 -0.377 18048 7003 1 28 . 1 1 8 8 GLU C C 8 173.100 173.100 176.313 -3.213 18048 7004 1 28 . 1 1 8 8 GLU CA C 8 52.900 52.900 55.870 -2.970 18048 7005 1 28 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.154 -2.554 18048 7006 1 28 . 1 1 8 8 GLU H H 8 8.270 8.270 8.782 -0.512 18048 7007 1 28 . 1 1 9 9 LYS N N 9 123.000 123.000 119.053 3.947 18048 7008 1 28 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.435 -0.195 18048 7009 1 28 . 1 1 9 9 LYS C C 9 173.700 173.700 176.665 -2.965 18048 7010 1 28 . 1 1 9 9 LYS CA C 9 53.500 53.500 55.938 -2.438 18048 7011 1 28 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.041 -1.941 18048 7012 1 28 . 1 1 9 9 LYS H H 9 8.390 8.390 8.072 0.318 18048 7013 1 28 . 1 1 10 10 THR N N 10 117.900 117.900 114.099 3.801 18048 7014 1 28 . 1 1 10 10 THR HA H 10 4.450 4.450 4.714 -0.264 18048 7015 1 28 . 1 1 10 10 THR C C 10 170.000 170.000 173.017 -3.017 18048 7016 1 28 . 1 1 10 10 THR CA C 10 57.000 57.000 59.544 -2.543 18048 7017 1 28 . 1 1 10 10 THR CB C 10 66.800 66.800 68.678 -1.878 18048 7018 1 28 . 1 1 10 10 THR H H 10 8.140 8.140 7.460 0.680 18048 7019 1 28 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.450 -0.140 18048 7020 1 28 . 1 1 11 11 PRO C C 11 173.800 173.800 176.320 -2.520 18048 7021 1 28 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.043 -2.643 18048 7022 1 28 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.191 -2.891 18048 7023 1 28 . 1 1 12 12 LYS N N 12 121.700 121.700 119.622 2.078 18048 7024 1 28 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.408 -0.198 18048 7025 1 28 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.411 -2.911 18048 7026 1 28 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.405 -3.205 18048 7027 1 28 . 1 1 12 12 LYS H H 12 8.380 8.380 8.416 -0.036 18048 7028 1 28 . 1 1 13 13 THR N N 13 115.600 115.600 115.501 0.099 18048 7029 1 28 . 1 1 13 13 THR HA H 13 4.360 4.360 4.663 -0.303 18048 7030 1 28 . 1 1 13 13 THR C C 13 169.800 169.800 172.595 -2.795 18048 7031 1 28 . 1 1 13 13 THR CA C 13 55.800 55.800 60.013 -4.213 18048 7032 1 28 . 1 1 13 13 THR CB C 13 67.800 67.800 68.687 -0.887 18048 7033 1 28 . 1 1 13 13 THR H H 13 7.940 7.940 7.698 0.242 18048 7034 1 28 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.500 -0.110 18048 7035 1 28 . 1 1 14 14 PRO C C 14 174.000 174.000 176.413 -2.413 18048 7036 1 28 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.946 -2.646 18048 7037 1 28 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.153 -2.953 18048 7038 1 28 . 1 1 15 15 LYS N N 15 121.700 121.700 124.399 -2.699 18048 7039 1 28 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.570 -0.360 18048 7040 1 28 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.999 -2.499 18048 7041 1 28 . 1 1 15 15 LYS CB C 15 30.300 30.300 34.962 -4.662 18048 7042 1 28 . 1 1 15 15 LYS H H 15 8.360 8.360 8.418 -0.058 18048 7043 1 28 . 1 1 16 16 GLY N N 16 110.100 110.100 110.682 -0.582 18048 7044 1 28 . 1 1 16 16 GLY C C 16 168.900 168.900 172.584 -3.684 18048 7045 1 28 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.782 -3.082 18048 7046 1 28 . 1 1 16 16 GLY H H 16 8.220 8.220 8.203 0.017 18048 7047 1 28 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.503 -0.123 18048 7048 1 28 . 1 1 17 17 PRO C C 17 174.600 174.600 177.086 -2.486 18048 7049 1 28 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.479 -1.979 18048 7050 1 28 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.623 -3.223 18048 7051 1 28 . 1 1 18 18 SER N N 18 116.500 116.500 113.007 3.493 18048 7052 1 28 . 1 1 18 18 SER HA H 18 4.420 4.420 4.633 -0.213 18048 7053 1 28 . 1 1 18 18 SER C C 18 171.300 171.300 173.916 -2.616 18048 7054 1 28 . 1 1 18 18 SER CA C 18 55.900 55.900 58.583 -2.683 18048 7055 1 28 . 1 1 18 18 SER CB C 18 61.400 61.400 63.112 -1.712 18048 7056 1 28 . 1 1 18 18 SER H H 18 8.520 8.520 8.382 0.138 18048 7057 1 28 . 1 1 19 19 SER N N 19 117.700 117.700 113.602 4.098 18048 7058 1 28 . 1 1 19 19 SER HA H 19 4.370 4.370 4.399 -0.029 18048 7059 1 28 . 1 1 19 19 SER C C 19 172.600 172.600 173.878 -1.278 18048 7060 1 28 . 1 1 19 19 SER CA C 19 55.500 55.500 57.009 -1.509 18048 7061 1 28 . 1 1 19 19 SER CB C 19 61.400 61.400 63.997 -2.597 18048 7062 1 28 . 1 1 19 19 SER H H 19 8.490 8.490 7.015 1.475 18048 7063 1 28 . 1 1 20 20 VAL N N 20 120.500 120.500 123.357 -2.857 18048 7064 1 28 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.628 -0.138 18048 7065 1 28 . 1 1 20 20 VAL C C 20 174.300 174.300 176.692 -2.392 18048 7066 1 28 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.387 -1.887 18048 7067 1 28 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.716 -2.816 18048 7068 1 28 . 1 1 20 20 VAL H H 20 8.310 8.310 8.705 -0.395 18048 7069 1 28 . 1 1 21 21 GLU N N 21 118.700 118.700 118.499 0.201 18048 7070 1 28 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.854 -0.224 18048 7071 1 28 . 1 1 21 21 GLU C C 21 176.300 176.300 177.841 -1.541 18048 7072 1 28 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.729 -1.829 18048 7073 1 28 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.454 -2.554 18048 7074 1 28 . 1 1 21 21 GLU H H 21 8.110 8.110 8.132 -0.022 18048 7075 1 28 . 1 1 22 22 ASP N N 22 120.400 120.400 120.099 0.301 18048 7076 1 28 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.343 -0.083 18048 7077 1 28 . 1 1 22 22 ASP C C 22 175.600 175.600 178.135 -2.535 18048 7078 1 28 . 1 1 22 22 ASP CA C 22 54.200 54.200 56.918 -2.718 18048 7079 1 28 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.651 -2.751 18048 7080 1 28 . 1 1 22 22 ASP H H 22 7.810 7.810 8.032 -0.222 18048 7081 1 28 . 1 1 23 23 ILE N N 23 120.900 120.900 120.546 0.354 18048 7082 1 28 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.585 -0.485 18048 7083 1 28 . 1 1 23 23 ILE C C 23 175.100 175.100 177.844 -2.744 18048 7084 1 28 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.494 -2.194 18048 7085 1 28 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.872 -3.572 18048 7086 1 28 . 1 1 23 23 ILE H H 23 7.670 7.670 7.391 0.279 18048 7087 1 28 . 1 1 24 24 LYS N N 24 120.000 120.000 120.534 -0.534 18048 7088 1 28 . 1 1 24 24 LYS HA H 24 3.090 3.090 4.049 -0.959 18048 7089 1 28 . 1 1 24 24 LYS C C 24 175.400 175.400 178.877 -3.477 18048 7090 1 28 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.186 -1.786 18048 7091 1 28 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.480 -1.881 18048 7092 1 28 . 1 1 24 24 LYS H H 24 8.060 8.060 7.998 0.062 18048 7093 1 28 . 1 1 25 25 ALA N N 25 119.000 119.000 120.915 -1.915 18048 7094 1 28 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.019 0.012 18048 7095 1 28 . 1 1 25 25 ALA C C 25 178.700 178.700 180.072 -1.372 18048 7096 1 28 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.189 -2.889 18048 7097 1 28 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.225 -3.525 18048 7098 1 28 . 1 1 25 25 ALA H H 25 7.410 7.410 8.107 -0.697 18048 7099 1 28 . 1 1 26 26 LYS N N 26 120.100 120.100 118.599 1.501 18048 7100 1 28 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.119 -0.069 18048 7101 1 28 . 1 1 26 26 LYS C C 26 177.600 177.600 179.142 -1.542 18048 7102 1 28 . 1 1 26 26 LYS CA C 26 56.600 56.600 58.800 -2.200 18048 7103 1 28 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.121 -2.521 18048 7104 1 28 . 1 1 26 26 LYS H H 26 7.760 7.760 8.029 -0.269 18048 7105 1 28 . 1 1 27 27 MET N N 27 120.900 120.900 120.184 0.716 18048 7106 1 28 . 1 1 27 27 MET HA H 27 4.220 4.220 4.135 0.085 18048 7107 1 28 . 1 1 27 27 MET C C 27 175.900 175.900 178.167 -2.267 18048 7108 1 28 . 1 1 27 27 MET CA C 27 58.000 58.000 59.823 -1.823 18048 7109 1 28 . 1 1 27 27 MET CB C 27 30.600 30.600 32.570 -1.970 18048 7110 1 28 . 1 1 27 27 MET H H 27 8.620 8.620 8.270 0.350 18048 7111 1 28 . 1 1 28 28 GLN N N 28 119.700 119.700 118.295 1.405 18048 7112 1 28 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.084 -0.044 18048 7113 1 28 . 1 1 28 28 GLN C C 28 175.500 175.500 178.593 -3.093 18048 7114 1 28 . 1 1 28 28 GLN CA C 28 56.700 56.700 57.740 -1.040 18048 7115 1 28 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.399 -1.699 18048 7116 1 28 . 1 1 28 28 GLN H H 28 8.970 8.970 8.602 0.368 18048 7117 1 28 . 1 1 29 29 ALA N N 29 120.900 120.900 122.768 -1.868 18048 7118 1 28 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.051 0.109 18048 7119 1 28 . 1 1 29 29 ALA C C 29 177.500 177.500 179.770 -2.270 18048 7120 1 28 . 1 1 29 29 ALA CA C 29 52.100 52.100 54.877 -2.777 18048 7121 1 28 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.116 -3.316 18048 7122 1 28 . 1 1 29 29 ALA H H 29 7.940 7.940 8.378 -0.438 18048 7123 1 28 . 1 1 30 30 SER N N 30 112.900 112.900 115.698 -2.798 18048 7124 1 28 . 1 1 30 30 SER HA H 30 4.180 4.180 4.157 0.023 18048 7125 1 28 . 1 1 30 30 SER CA C 30 58.900 58.900 61.920 -3.020 18048 7126 1 28 . 1 1 30 30 SER CB C 30 60.000 60.000 63.140 -3.140 18048 7127 1 28 . 1 1 30 30 SER H H 30 7.780 7.780 7.972 -0.192 18048 7128 1 28 . 1 1 31 31 ILE N N 31 122.000 122.000 120.549 1.451 18048 7129 1 28 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.886 -0.036 18048 7130 1 28 . 1 1 31 31 ILE C C 31 173.900 173.900 177.017 -3.117 18048 7131 1 28 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.407 -2.907 18048 7132 1 28 . 1 1 31 31 ILE CB C 31 34.900 34.900 37.731 -2.831 18048 7133 1 28 . 1 1 31 31 ILE H H 31 7.940 7.940 8.209 -0.269 18048 7134 1 28 . 1 1 32 32 GLU N N 32 121.800 121.800 119.363 2.437 18048 7135 1 28 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.263 -0.233 18048 7136 1 28 . 1 1 32 32 GLU C C 32 175.200 175.200 177.222 -2.022 18048 7137 1 28 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.092 -1.792 18048 7138 1 28 . 1 1 32 32 GLU CB C 32 26.500 26.500 30.037 -3.537 18048 7139 1 28 . 1 1 32 32 GLU H H 32 8.140 8.140 7.646 0.494 18048 7140 1 28 . 1 1 33 33 LYS N N 33 116.200 116.200 114.945 1.255 18048 7141 1 28 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.568 -0.188 18048 7142 1 28 . 1 1 33 33 LYS C C 33 173.800 173.800 177.146 -3.346 18048 7143 1 28 . 1 1 33 33 LYS CA C 33 52.900 52.900 55.722 -2.822 18048 7144 1 28 . 1 1 33 33 LYS CB C 33 29.500 29.500 34.748 -5.248 18048 7145 1 28 . 1 1 33 33 LYS H H 33 7.350 7.350 8.026 -0.676 18048 7146 1 28 . 1 1 34 34 GLY N N 34 107.400 107.400 108.454 -1.054 18048 7147 1 28 . 1 1 34 34 GLY C C 34 172.400 172.400 173.894 -1.494 18048 7148 1 28 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.851 -2.251 18048 7149 1 28 . 1 1 34 34 GLY H H 34 7.830 7.830 8.415 -0.585 18048 7150 1 28 . 1 1 35 35 GLY N N 35 109.200 109.200 109.390 -0.190 18048 7151 1 28 . 1 1 35 35 GLY C C 35 169.500 169.500 174.189 -4.689 18048 7152 1 28 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.179 -3.579 18048 7153 1 28 . 1 1 35 35 GLY H H 35 8.330 8.330 8.050 0.280 18048 7154 1 28 . 1 1 36 36 SER N N 36 112.700 112.700 115.926 -3.226 18048 7155 1 28 . 1 1 36 36 SER HA H 36 4.610 4.610 4.542 0.068 18048 7156 1 28 . 1 1 36 36 SER C C 36 171.000 171.000 173.907 -2.907 18048 7157 1 28 . 1 1 36 36 SER CA C 36 54.000 54.000 58.477 -4.477 18048 7158 1 28 . 1 1 36 36 SER CB C 36 62.300 62.300 63.632 -1.332 18048 7159 1 28 . 1 1 36 36 SER H H 36 8.150 8.150 8.492 -0.342 18048 7160 1 28 . 1 1 37 37 LEU N N 37 122.700 122.700 124.957 -2.257 18048 7161 1 28 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.789 0.371 18048 7162 1 28 . 1 1 37 37 LEU C C 37 173.600 173.600 175.941 -2.341 18048 7163 1 28 . 1 1 37 37 LEU CA C 37 53.400 53.400 53.846 -0.446 18048 7164 1 28 . 1 1 37 37 LEU CB C 37 40.500 40.500 41.250 -0.750 18048 7165 1 28 . 1 1 37 37 LEU H H 37 8.380 8.380 7.973 0.407 18048 7166 1 28 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.575 -0.305 18048 7167 1 28 . 1 1 38 38 PRO C C 38 174.400 174.400 175.931 -1.531 18048 7168 1 28 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.351 -0.951 18048 7169 1 28 . 1 1 38 38 PRO CB C 38 29.800 29.800 33.636 -3.836 18048 7170 1 28 . 1 1 39 39 LYS N N 39 122.300 122.300 118.552 3.748 18048 7171 1 28 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.435 -0.055 18048 7172 1 28 . 1 1 39 39 LYS C C 39 172.300 172.300 176.683 -4.383 18048 7173 1 28 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.922 -3.222 18048 7174 1 28 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.140 -1.840 18048 7175 1 28 . 1 1 39 39 LYS H H 39 8.920 8.920 8.348 0.572 18048 7176 1 28 . 1 1 40 40 VAL N N 40 118.500 118.500 121.305 -2.805 18048 7177 1 28 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.330 -0.050 18048 7178 1 28 . 1 1 40 40 VAL C C 40 173.600 173.600 176.522 -2.922 18048 7179 1 28 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.630 -2.530 18048 7180 1 28 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.417 -2.017 18048 7181 1 28 . 1 1 40 40 VAL H H 40 7.000 7.000 7.781 -0.781 18048 7182 1 28 . 1 1 41 41 GLU N N 41 131.800 131.800 129.499 2.301 18048 7183 1 28 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.792 0.158 18048 7184 1 28 . 1 1 41 41 GLU C C 41 174.700 174.700 177.517 -2.817 18048 7185 1 28 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.698 -1.998 18048 7186 1 28 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.598 -1.498 18048 7187 1 28 . 1 1 41 41 GLU H H 41 8.820 8.820 9.066 -0.246 18048 7188 1 28 . 1 1 42 42 ALA N N 42 117.700 117.700 121.965 -4.265 18048 7189 1 28 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.072 -0.282 18048 7190 1 28 . 1 1 42 42 ALA C C 42 178.000 178.000 180.058 -2.058 18048 7191 1 28 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.867 -1.967 18048 7192 1 28 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.006 -2.606 18048 7193 1 28 . 1 1 42 42 ALA H H 42 8.630 8.630 8.457 0.173 18048 7194 1 28 . 1 1 43 43 LYS N N 43 113.500 113.500 119.468 -5.968 18048 7195 1 28 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.103 -0.013 18048 7196 1 28 . 1 1 43 43 LYS C C 43 176.600 176.600 178.919 -2.319 18048 7197 1 28 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.961 -3.760 18048 7198 1 28 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.425 -2.425 18048 7199 1 28 . 1 1 43 43 LYS H H 43 6.530 6.530 7.626 -1.096 18048 7200 1 28 . 1 1 44 44 PHE N N 44 123.600 123.600 121.967 1.633 18048 7201 1 28 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.217 -0.277 18048 7202 1 28 . 1 1 44 44 PHE C C 44 173.300 173.300 176.935 -3.635 18048 7203 1 28 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.602 -1.302 18048 7204 1 28 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.114 -2.414 18048 7205 1 28 . 1 1 44 44 PHE H H 44 8.610 8.610 8.567 0.043 18048 7206 1 28 . 1 1 45 45 ILE N N 45 119.600 119.600 119.275 0.325 18048 7207 1 28 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.320 0.050 18048 7208 1 28 . 1 1 45 45 ILE C C 45 174.700 174.700 177.524 -2.824 18048 7209 1 28 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.928 -2.428 18048 7210 1 28 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.614 -2.614 18048 7211 1 28 . 1 1 45 45 ILE H H 45 8.690 8.690 8.743 -0.053 18048 7212 1 28 . 1 1 46 46 ASN N N 46 115.900 115.900 118.517 -2.617 18048 7213 1 28 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.288 -0.038 18048 7214 1 28 . 1 1 46 46 ASN C C 46 173.800 173.800 177.301 -3.501 18048 7215 1 28 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.371 -2.571 18048 7216 1 28 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.331 -2.731 18048 7217 1 28 . 1 1 46 46 ASN H H 46 7.320 7.320 7.991 -0.671 18048 7218 1 28 . 1 1 47 47 TYR N N 47 120.900 120.900 120.765 0.135 18048 7219 1 28 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.191 0.099 18048 7220 1 28 . 1 1 47 47 TYR C C 47 174.400 174.400 177.624 -3.224 18048 7221 1 28 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.532 -3.332 18048 7222 1 28 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.881 -3.081 18048 7223 1 28 . 1 1 47 47 TYR H H 47 7.840 7.840 8.161 -0.321 18048 7224 1 28 . 1 1 48 48 VAL N N 48 117.800 117.800 119.680 -1.880 18048 7225 1 28 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.180 0.290 18048 7226 1 28 . 1 1 48 48 VAL C C 48 176.300 176.300 177.719 -1.419 18048 7227 1 28 . 1 1 48 48 VAL CA C 48 63.800 63.800 67.111 -3.311 18048 7228 1 28 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.369 -2.970 18048 7229 1 28 . 1 1 48 48 VAL H H 48 8.260 8.260 8.584 -0.324 18048 7230 1 28 . 1 1 49 49 LYS N N 49 119.700 119.700 117.306 2.394 18048 7231 1 28 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.266 -0.316 18048 7232 1 28 . 1 1 49 49 LYS C C 49 176.400 176.400 178.702 -2.302 18048 7233 1 28 . 1 1 49 49 LYS CA C 49 57.600 57.600 58.739 -1.139 18048 7234 1 28 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.036 -2.136 18048 7235 1 28 . 1 1 49 49 LYS H H 49 8.070 8.070 8.020 0.050 18048 7236 1 28 . 1 1 50 50 ASN N N 50 115.600 115.600 117.840 -2.240 18048 7237 1 28 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.469 -0.119 18048 7238 1 28 . 1 1 50 50 ASN C C 50 174.100 174.100 177.440 -3.340 18048 7239 1 28 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.696 -2.696 18048 7240 1 28 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.717 -2.417 18048 7241 1 28 . 1 1 50 50 ASN H H 50 8.080 8.080 7.605 0.475 18048 7242 1 28 . 1 1 51 51 CYS N N 51 115.800 115.800 118.227 -2.427 18048 7243 1 28 . 1 1 51 51 CYS C C 51 172.800 172.800 174.983 -2.183 18048 7244 1 28 . 1 1 51 51 CYS CA C 51 58.800 58.800 62.483 -3.683 18048 7245 1 28 . 1 1 51 51 CYS CB C 51 24.200 24.200 27.758 -3.558 18048 7246 1 28 . 1 1 51 51 CYS H H 51 8.480 8.480 7.955 0.525 18048 7247 1 28 . 1 1 52 52 PHE N N 52 112.700 112.700 117.588 -4.888 18048 7248 1 28 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.611 0.009 18048 7249 1 28 . 1 1 52 52 PHE C C 52 171.900 171.900 174.156 -2.256 18048 7250 1 28 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.025 -2.425 18048 7251 1 28 . 1 1 52 52 PHE CB C 52 36.900 36.900 42.090 -5.190 18048 7252 1 28 . 1 1 52 52 PHE H H 52 7.230 7.230 8.117 -0.887 18048 7253 1 28 . 1 1 53 53 ARG N N 53 114.500 114.500 126.092 -11.592 18048 7254 1 28 . 1 1 53 53 ARG C C 53 172.000 172.000 174.797 -2.797 18048 7255 1 28 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.360 -2.460 18048 7256 1 28 . 1 1 53 53 ARG CB C 53 23.500 23.500 29.073 -5.573 18048 7257 1 28 . 1 1 53 53 ARG H H 53 7.200 7.200 7.727 -0.527 18048 7258 1 28 . 1 1 54 54 MET N N 54 116.800 116.800 124.828 -8.028 18048 7259 1 28 . 1 1 54 54 MET HA H 54 4.430 4.430 4.787 -0.357 18048 7260 1 28 . 1 1 54 54 MET C C 54 172.600 172.600 175.539 -2.939 18048 7261 1 28 . 1 1 54 54 MET CA C 54 52.800 52.800 54.441 -1.641 18048 7262 1 28 . 1 1 54 54 MET CB C 54 31.500 31.500 34.199 -2.699 18048 7263 1 28 . 1 1 54 54 MET H H 54 6.770 6.770 7.908 -1.138 18048 7264 1 28 . 1 1 55 55 THR N N 55 110.800 110.800 113.570 -2.770 18048 7265 1 28 . 1 1 55 55 THR HA H 55 4.280 4.280 4.442 -0.162 18048 7266 1 28 . 1 1 55 55 THR C C 55 171.800 171.800 174.656 -2.856 18048 7267 1 28 . 1 1 55 55 THR CA C 55 58.400 58.400 61.603 -3.203 18048 7268 1 28 . 1 1 55 55 THR CB C 55 67.400 67.400 69.473 -2.073 18048 7269 1 28 . 1 1 55 55 THR H H 55 8.480 8.480 8.318 0.162 18048 7270 1 28 . 1 1 56 56 ASP N N 56 123.800 123.800 124.205 -0.405 18048 7271 1 28 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.605 -0.125 18048 7272 1 28 . 1 1 56 56 ASP C C 56 173.200 173.200 176.477 -3.277 18048 7273 1 28 . 1 1 56 56 ASP CA C 56 51.600 51.600 55.421 -3.821 18048 7274 1 28 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.111 -2.011 18048 7275 1 28 . 1 1 56 56 ASP H H 56 7.450 7.450 8.012 -0.562 18048 7276 1 28 . 1 1 57 57 GLN N N 57 126.600 126.600 125.658 0.942 18048 7277 1 28 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.935 -0.135 18048 7278 1 28 . 1 1 57 57 GLN C C 57 175.400 175.400 177.345 -1.945 18048 7279 1 28 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.906 -2.306 18048 7280 1 28 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.610 -3.010 18048 7281 1 28 . 1 1 57 57 GLN H H 57 8.880 8.880 9.004 -0.124 18048 7282 1 28 . 1 1 58 58 GLU N N 58 119.400 119.400 117.432 1.968 18048 7283 1 28 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.141 -0.161 18048 7284 1 28 . 1 1 58 58 GLU C C 58 175.900 175.900 178.305 -2.405 18048 7285 1 28 . 1 1 58 58 GLU CA C 58 56.900 56.900 58.942 -2.042 18048 7286 1 28 . 1 1 58 58 GLU CB C 58 26.300 26.300 29.002 -2.702 18048 7287 1 28 . 1 1 58 58 GLU H H 58 8.220 8.220 8.942 -0.722 18048 7288 1 28 . 1 1 59 59 ALA N N 59 123.300 123.300 122.442 0.858 18048 7289 1 28 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.302 -0.202 18048 7290 1 28 . 1 1 59 59 ALA C C 59 177.400 177.400 179.698 -2.298 18048 7291 1 28 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.525 -2.625 18048 7292 1 28 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.581 -2.681 18048 7293 1 28 . 1 1 59 59 ALA H H 59 7.710 7.710 7.621 0.089 18048 7294 1 28 . 1 1 60 60 ILE N N 60 117.300 117.300 120.222 -2.922 18048 7295 1 28 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.675 -0.175 18048 7296 1 28 . 1 1 60 60 ILE C C 60 175.100 175.100 177.957 -2.857 18048 7297 1 28 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.901 -2.102 18048 7298 1 28 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.094 -3.294 18048 7299 1 28 . 1 1 60 60 ILE H H 60 8.130 8.130 8.327 -0.197 18048 7300 1 28 . 1 1 61 61 GLN N N 61 118.800 118.800 118.530 0.270 18048 7301 1 28 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.298 -0.118 18048 7302 1 28 . 1 1 61 61 GLN C C 61 175.900 175.900 177.851 -1.951 18048 7303 1 28 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.833 -2.533 18048 7304 1 28 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.614 -2.614 18048 7305 1 28 . 1 1 61 61 GLN H H 61 8.000 8.000 8.278 -0.278 18048 7306 1 28 . 1 1 62 62 ASP N N 62 121.000 121.000 121.509 -0.509 18048 7307 1 28 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.503 -0.113 18048 7308 1 28 . 1 1 62 62 ASP C C 62 177.200 177.200 178.705 -1.505 18048 7309 1 28 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.407 -2.407 18048 7310 1 28 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.959 -3.059 18048 7311 1 28 . 1 1 62 62 ASP H H 62 8.020 8.020 8.004 0.016 18048 7312 1 28 . 1 1 63 63 LEU N N 63 120.700 120.700 120.771 -0.071 18048 7313 1 28 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.173 0.027 18048 7314 1 28 . 1 1 63 63 LEU C C 63 175.600 175.600 179.353 -3.753 18048 7315 1 28 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.953 -2.553 18048 7316 1 28 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.165 -2.765 18048 7317 1 28 . 1 1 63 63 LEU H H 63 8.220 8.220 8.341 -0.121 18048 7318 1 28 . 1 1 64 64 TRP N N 64 122.400 122.400 120.008 2.392 18048 7319 1 28 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.107 -0.077 18048 7320 1 28 . 1 1 64 64 TRP C C 64 173.500 173.500 178.545 -5.045 18048 7321 1 28 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.195 -4.995 18048 7322 1 28 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.211 -2.411 18048 7323 1 28 . 1 1 64 64 TRP H H 64 8.890 8.890 8.564 0.326 18048 7324 1 28 . 1 1 65 65 GLN N N 65 116.700 116.700 117.807 -1.107 18048 7325 1 28 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.852 -0.562 18048 7326 1 28 . 1 1 65 65 GLN C C 65 176.200 176.200 178.607 -2.407 18048 7327 1 28 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.915 -3.015 18048 7328 1 28 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.145 -3.445 18048 7329 1 28 . 1 1 65 65 GLN H H 65 8.310 8.310 8.431 -0.121 18048 7330 1 28 . 1 1 66 66 TRP N N 66 119.500 119.500 119.077 0.423 18048 7331 1 28 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.966 -0.956 18048 7332 1 28 . 1 1 66 66 TRP C C 66 175.100 175.100 176.941 -1.841 18048 7333 1 28 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.014 -0.914 18048 7334 1 28 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.701 -5.101 18048 7335 1 28 . 1 1 66 66 TRP H H 66 7.750 7.750 8.323 -0.573 18048 7336 1 28 . 1 1 67 67 ARG N N 67 122.300 122.300 117.966 4.334 18048 7337 1 28 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.426 -0.376 18048 7338 1 28 . 1 1 67 67 ARG C C 67 177.800 177.800 178.044 -0.244 18048 7339 1 28 . 1 1 67 67 ARG CA C 67 56.500 56.500 56.379 0.121 18048 7340 1 28 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.156 -4.856 18048 7341 1 28 . 1 1 67 67 ARG H H 67 8.640 8.640 7.695 0.945 18048 7342 1 28 . 1 1 68 68 LYS N N 68 118.400 118.400 118.907 -0.507 18048 7343 1 28 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.109 -0.719 18048 7344 1 28 . 1 1 68 68 LYS C C 68 173.800 173.800 177.371 -3.571 18048 7345 1 28 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.904 -2.404 18048 7346 1 28 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.937 -4.937 18048 7347 1 28 . 1 1 68 68 LYS H H 68 7.860 7.860 7.651 0.209 18048 7348 1 28 . 1 1 69 69 SER N N 69 114.500 114.500 114.555 -0.055 18048 7349 1 28 . 1 1 69 69 SER HA H 69 4.200 4.200 4.591 -0.391 18048 7350 1 28 . 1 1 69 69 SER C C 69 170.300 170.300 173.366 -3.066 18048 7351 1 28 . 1 1 69 69 SER CA C 69 55.700 55.700 57.005 -1.305 18048 7352 1 28 . 1 1 69 69 SER CB C 69 61.500 61.500 63.618 -2.118 18048 7353 1 28 . 1 1 69 69 SER H H 69 7.060 7.060 7.828 -0.768 18048 7354 1 29 . 1 1 2 2 GLU N N 2 122.400 122.400 122.289 0.111 18048 7355 1 29 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.353 -0.223 18048 7356 1 29 . 1 1 2 2 GLU C C 2 173.800 173.800 175.865 -2.065 18048 7357 1 29 . 1 1 2 2 GLU CA C 2 54.100 54.100 57.315 -3.215 18048 7358 1 29 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.163 -2.863 18048 7359 1 29 . 1 1 2 2 GLU H H 2 8.490 8.490 8.681 -0.191 18048 7360 1 29 . 1 1 3 3 SER N N 3 116.300 116.300 115.443 0.857 18048 7361 1 29 . 1 1 3 3 SER HA H 3 4.240 4.240 4.664 -0.424 18048 7362 1 29 . 1 1 3 3 SER C C 3 171.500 171.500 173.641 -2.141 18048 7363 1 29 . 1 1 3 3 SER CA C 3 55.800 55.800 57.378 -1.578 18048 7364 1 29 . 1 1 3 3 SER CB C 3 60.900 60.900 64.500 -3.600 18048 7365 1 29 . 1 1 3 3 SER H H 3 8.210 8.210 7.702 0.508 18048 7366 1 29 . 1 1 4 4 PHE N N 4 121.700 121.700 121.223 0.477 18048 7367 1 29 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.543 -0.063 18048 7368 1 29 . 1 1 4 4 PHE C C 4 172.800 172.800 176.960 -4.160 18048 7369 1 29 . 1 1 4 4 PHE CA C 4 55.000 55.000 57.433 -2.433 18048 7370 1 29 . 1 1 4 4 PHE CB C 4 36.500 36.500 40.167 -3.667 18048 7371 1 29 . 1 1 4 4 PHE H H 4 8.040 8.040 8.803 -0.763 18048 7372 1 29 . 1 1 5 5 LYS N N 5 122.600 122.600 123.482 -0.882 18048 7373 1 29 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.297 -0.177 18048 7374 1 29 . 1 1 5 5 LYS C C 5 173.400 173.400 175.455 -2.055 18048 7375 1 29 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.715 -3.315 18048 7376 1 29 . 1 1 5 5 LYS CB C 5 30.100 30.100 31.293 -1.192 18048 7377 1 29 . 1 1 5 5 LYS H H 5 7.990 7.990 8.781 -0.791 18048 7378 1 29 . 1 1 6 6 LYS N N 6 122.800 122.800 119.305 3.495 18048 7379 1 29 . 1 1 6 6 LYS C C 6 173.700 173.700 175.921 -2.221 18048 7380 1 29 . 1 1 6 6 LYS CA C 6 53.700 53.700 55.664 -1.964 18048 7381 1 29 . 1 1 6 6 LYS H H 6 8.160 8.160 8.078 0.082 18048 7382 1 29 . 1 1 7 7 GLN N N 7 120.800 120.800 118.250 2.550 18048 7383 1 29 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.518 0.012 18048 7384 1 29 . 1 1 7 7 GLN C C 7 173.600 173.600 175.611 -2.011 18048 7385 1 29 . 1 1 7 7 GLN CA C 7 53.700 53.700 55.917 -2.217 18048 7386 1 29 . 1 1 7 7 GLN CB C 7 27.300 27.300 30.209 -2.909 18048 7387 1 29 . 1 1 7 7 GLN H H 7 8.240 8.240 8.363 -0.123 18048 7388 1 29 . 1 1 8 8 GLU N N 8 121.400 121.400 119.296 2.104 18048 7389 1 29 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.619 -0.419 18048 7390 1 29 . 1 1 8 8 GLU C C 8 173.100 173.100 175.101 -2.001 18048 7391 1 29 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.016 -3.116 18048 7392 1 29 . 1 1 8 8 GLU CB C 8 27.600 27.600 31.381 -3.781 18048 7393 1 29 . 1 1 8 8 GLU H H 8 8.270 8.270 7.857 0.413 18048 7394 1 29 . 1 1 9 9 LYS N N 9 123.000 123.000 120.775 2.225 18048 7395 1 29 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.274 -0.034 18048 7396 1 29 . 1 1 9 9 LYS C C 9 173.700 173.700 176.267 -2.567 18048 7397 1 29 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.541 -3.041 18048 7398 1 29 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.848 -2.748 18048 7399 1 29 . 1 1 9 9 LYS H H 9 8.390 8.390 8.648 -0.258 18048 7400 1 29 . 1 1 10 10 THR N N 10 117.900 117.900 111.861 6.039 18048 7401 1 29 . 1 1 10 10 THR HA H 10 4.450 4.450 4.110 0.340 18048 7402 1 29 . 1 1 10 10 THR C C 10 170.000 170.000 172.204 -2.204 18048 7403 1 29 . 1 1 10 10 THR CA C 10 57.000 57.000 61.591 -4.591 18048 7404 1 29 . 1 1 10 10 THR CB C 10 66.800 66.800 67.606 -0.806 18048 7405 1 29 . 1 1 10 10 THR H H 10 8.140 8.140 7.832 0.308 18048 7406 1 29 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.461 -0.151 18048 7407 1 29 . 1 1 11 11 PRO C C 11 173.800 173.800 176.667 -2.867 18048 7408 1 29 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.148 -2.748 18048 7409 1 29 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.567 -3.267 18048 7410 1 29 . 1 1 12 12 LYS N N 12 121.700 121.700 121.048 0.652 18048 7411 1 29 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.560 -0.350 18048 7412 1 29 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.317 -2.817 18048 7413 1 29 . 1 1 12 12 LYS CB C 12 30.200 30.200 33.659 -3.459 18048 7414 1 29 . 1 1 12 12 LYS H H 12 8.380 8.380 8.485 -0.105 18048 7415 1 29 . 1 1 13 13 THR N N 13 115.600 115.600 120.003 -4.403 18048 7416 1 29 . 1 1 13 13 THR HA H 13 4.360 4.360 4.666 -0.306 18048 7417 1 29 . 1 1 13 13 THR C C 13 169.800 169.800 172.842 -3.042 18048 7418 1 29 . 1 1 13 13 THR CA C 13 55.800 55.800 60.553 -4.753 18048 7419 1 29 . 1 1 13 13 THR CB C 13 67.800 67.800 68.749 -0.949 18048 7420 1 29 . 1 1 13 13 THR H H 13 7.940 7.940 8.352 -0.412 18048 7421 1 29 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.672 -0.282 18048 7422 1 29 . 1 1 14 14 PRO C C 14 174.000 174.000 175.759 -1.759 18048 7423 1 29 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.832 -2.532 18048 7424 1 29 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.606 -3.406 18048 7425 1 29 . 1 1 15 15 LYS N N 15 121.700 121.700 121.049 0.651 18048 7426 1 29 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.570 -0.360 18048 7427 1 29 . 1 1 15 15 LYS CA C 15 53.500 53.500 55.980 -2.480 18048 7428 1 29 . 1 1 15 15 LYS CB C 15 30.300 30.300 35.533 -5.233 18048 7429 1 29 . 1 1 15 15 LYS H H 15 8.360 8.360 8.469 -0.109 18048 7430 1 29 . 1 1 16 16 GLY N N 16 110.100 110.100 111.194 -1.094 18048 7431 1 29 . 1 1 16 16 GLY C C 16 168.900 168.900 172.221 -3.321 18048 7432 1 29 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.873 -3.173 18048 7433 1 29 . 1 1 16 16 GLY H H 16 8.220 8.220 8.289 -0.069 18048 7434 1 29 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.489 -0.109 18048 7435 1 29 . 1 1 17 17 PRO C C 17 174.600 174.600 176.205 -1.605 18048 7436 1 29 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.657 -2.157 18048 7437 1 29 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.817 -3.417 18048 7438 1 29 . 1 1 18 18 SER N N 18 116.500 116.500 115.919 0.581 18048 7439 1 29 . 1 1 18 18 SER HA H 18 4.420 4.420 4.579 -0.159 18048 7440 1 29 . 1 1 18 18 SER C C 18 171.300 171.300 173.654 -2.354 18048 7441 1 29 . 1 1 18 18 SER CA C 18 55.900 55.900 58.686 -2.786 18048 7442 1 29 . 1 1 18 18 SER CB C 18 61.400 61.400 63.239 -1.839 18048 7443 1 29 . 1 1 18 18 SER H H 18 8.520 8.520 8.395 0.125 18048 7444 1 29 . 1 1 19 19 SER N N 19 117.700 117.700 115.136 2.564 18048 7445 1 29 . 1 1 19 19 SER HA H 19 4.370 4.370 4.532 -0.162 18048 7446 1 29 . 1 1 19 19 SER C C 19 172.600 172.600 174.408 -1.808 18048 7447 1 29 . 1 1 19 19 SER CA C 19 55.500 55.500 57.498 -1.998 18048 7448 1 29 . 1 1 19 19 SER CB C 19 61.400 61.400 65.215 -3.815 18048 7449 1 29 . 1 1 19 19 SER H H 19 8.490 8.490 7.512 0.978 18048 7450 1 29 . 1 1 20 20 VAL N N 20 120.500 120.500 123.810 -3.310 18048 7451 1 29 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.383 0.107 18048 7452 1 29 . 1 1 20 20 VAL C C 20 174.300 174.300 177.055 -2.755 18048 7453 1 29 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.497 -1.997 18048 7454 1 29 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.574 -2.674 18048 7455 1 29 . 1 1 20 20 VAL H H 20 8.310 8.310 8.622 -0.312 18048 7456 1 29 . 1 1 21 21 GLU N N 21 118.700 118.700 119.594 -0.894 18048 7457 1 29 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.886 -0.256 18048 7458 1 29 . 1 1 21 21 GLU C C 21 176.300 176.300 178.677 -2.377 18048 7459 1 29 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.247 -2.347 18048 7460 1 29 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.816 -2.916 18048 7461 1 29 . 1 1 21 21 GLU H H 21 8.110 8.110 8.580 -0.470 18048 7462 1 29 . 1 1 22 22 ASP N N 22 120.400 120.400 120.594 -0.194 18048 7463 1 29 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.370 -0.110 18048 7464 1 29 . 1 1 22 22 ASP C C 22 175.600 175.600 178.245 -2.645 18048 7465 1 29 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.755 -3.555 18048 7466 1 29 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.765 -2.865 18048 7467 1 29 . 1 1 22 22 ASP H H 22 7.810 7.810 8.136 -0.326 18048 7468 1 29 . 1 1 23 23 ILE N N 23 120.900 120.900 120.048 0.852 18048 7469 1 29 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.603 -0.503 18048 7470 1 29 . 1 1 23 23 ILE C C 23 175.100 175.100 178.290 -3.190 18048 7471 1 29 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.586 -2.286 18048 7472 1 29 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.633 -3.333 18048 7473 1 29 . 1 1 23 23 ILE H H 23 7.670 7.670 7.252 0.418 18048 7474 1 29 . 1 1 24 24 LYS N N 24 120.000 120.000 119.285 0.715 18048 7475 1 29 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.997 -0.907 18048 7476 1 29 . 1 1 24 24 LYS C C 24 175.400 175.400 179.123 -3.723 18048 7477 1 29 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.249 -1.849 18048 7478 1 29 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.625 -2.025 18048 7479 1 29 . 1 1 24 24 LYS H H 24 8.060 8.060 8.038 0.022 18048 7480 1 29 . 1 1 25 25 ALA N N 25 119.000 119.000 121.561 -2.561 18048 7481 1 29 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.178 -0.148 18048 7482 1 29 . 1 1 25 25 ALA C C 25 178.700 178.700 180.137 -1.437 18048 7483 1 29 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.093 -2.793 18048 7484 1 29 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.350 -3.650 18048 7485 1 29 . 1 1 25 25 ALA H H 25 7.410 7.410 8.008 -0.598 18048 7486 1 29 . 1 1 26 26 LYS N N 26 120.100 120.100 118.989 1.111 18048 7487 1 29 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.166 -0.116 18048 7488 1 29 . 1 1 26 26 LYS C C 26 177.600 177.600 179.048 -1.448 18048 7489 1 29 . 1 1 26 26 LYS CA C 26 56.600 56.600 57.992 -1.392 18048 7490 1 29 . 1 1 26 26 LYS CB C 26 29.600 29.600 31.698 -2.098 18048 7491 1 29 . 1 1 26 26 LYS H H 26 7.760 7.760 8.533 -0.773 18048 7492 1 29 . 1 1 27 27 MET N N 27 120.900 120.900 119.551 1.349 18048 7493 1 29 . 1 1 27 27 MET HA H 27 4.220 4.220 4.067 0.152 18048 7494 1 29 . 1 1 27 27 MET C C 27 175.900 175.900 178.056 -2.156 18048 7495 1 29 . 1 1 27 27 MET CA C 27 58.000 58.000 60.159 -2.159 18048 7496 1 29 . 1 1 27 27 MET CB C 27 30.600 30.600 32.424 -1.824 18048 7497 1 29 . 1 1 27 27 MET H H 27 8.620 8.620 8.325 0.295 18048 7498 1 29 . 1 1 28 28 GLN N N 28 119.700 119.700 117.617 2.083 18048 7499 1 29 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.099 -0.059 18048 7500 1 29 . 1 1 28 28 GLN C C 28 175.500 175.500 178.335 -2.835 18048 7501 1 29 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.078 -1.378 18048 7502 1 29 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.465 -1.764 18048 7503 1 29 . 1 1 28 28 GLN H H 28 8.970 8.970 7.975 0.995 18048 7504 1 29 . 1 1 29 29 ALA N N 29 120.900 120.900 123.052 -2.152 18048 7505 1 29 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.065 0.095 18048 7506 1 29 . 1 1 29 29 ALA C C 29 177.500 177.500 180.012 -2.512 18048 7507 1 29 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.094 -2.994 18048 7508 1 29 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.096 -3.296 18048 7509 1 29 . 1 1 29 29 ALA H H 29 7.940 7.940 8.150 -0.210 18048 7510 1 29 . 1 1 30 30 SER N N 30 112.900 112.900 114.602 -1.702 18048 7511 1 29 . 1 1 30 30 SER HA H 30 4.180 4.180 4.202 -0.022 18048 7512 1 29 . 1 1 30 30 SER CA C 30 58.900 58.900 61.960 -3.060 18048 7513 1 29 . 1 1 30 30 SER CB C 30 60.000 60.000 63.219 -3.219 18048 7514 1 29 . 1 1 30 30 SER H H 30 7.780 7.780 7.990 -0.210 18048 7515 1 29 . 1 1 31 31 ILE N N 31 122.000 122.000 121.777 0.223 18048 7516 1 29 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.960 -0.110 18048 7517 1 29 . 1 1 31 31 ILE C C 31 173.900 173.900 178.418 -4.518 18048 7518 1 29 . 1 1 31 31 ILE CA C 31 61.500 61.500 65.037 -3.537 18048 7519 1 29 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.240 -3.340 18048 7520 1 29 . 1 1 31 31 ILE H H 31 7.940 7.940 7.967 -0.027 18048 7521 1 29 . 1 1 32 32 GLU N N 32 121.800 121.800 119.643 2.157 18048 7522 1 29 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.135 -0.105 18048 7523 1 29 . 1 1 32 32 GLU C C 32 175.200 175.200 177.688 -2.488 18048 7524 1 29 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.818 -2.518 18048 7525 1 29 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.169 -2.669 18048 7526 1 29 . 1 1 32 32 GLU H H 32 8.140 8.140 8.360 -0.220 18048 7527 1 29 . 1 1 33 33 LYS N N 33 116.200 116.200 116.641 -0.441 18048 7528 1 29 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.555 -0.175 18048 7529 1 29 . 1 1 33 33 LYS C C 33 173.800 173.800 176.301 -2.501 18048 7530 1 29 . 1 1 33 33 LYS CA C 33 52.900 52.900 55.658 -2.758 18048 7531 1 29 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.364 -3.864 18048 7532 1 29 . 1 1 33 33 LYS H H 33 7.350 7.350 7.527 -0.177 18048 7533 1 29 . 1 1 34 34 GLY N N 34 107.400 107.400 105.849 1.551 18048 7534 1 29 . 1 1 34 34 GLY C C 34 172.400 172.400 175.296 -2.896 18048 7535 1 29 . 1 1 34 34 GLY CA C 34 42.600 42.600 44.995 -2.395 18048 7536 1 29 . 1 1 34 34 GLY H H 34 7.830 7.830 7.683 0.147 18048 7537 1 29 . 1 1 35 35 GLY N N 35 109.200 109.200 109.436 -0.236 18048 7538 1 29 . 1 1 35 35 GLY C C 35 169.500 169.500 175.041 -5.541 18048 7539 1 29 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.496 -3.896 18048 7540 1 29 . 1 1 35 35 GLY H H 35 8.330 8.330 8.357 -0.027 18048 7541 1 29 . 1 1 36 36 SER N N 36 112.700 112.700 115.100 -2.400 18048 7542 1 29 . 1 1 36 36 SER HA H 36 4.610 4.610 4.103 0.507 18048 7543 1 29 . 1 1 36 36 SER C C 36 171.000 171.000 174.028 -3.028 18048 7544 1 29 . 1 1 36 36 SER CA C 36 54.000 54.000 59.469 -5.469 18048 7545 1 29 . 1 1 36 36 SER CB C 36 62.300 62.300 63.391 -1.091 18048 7546 1 29 . 1 1 36 36 SER H H 36 8.150 8.150 8.083 0.067 18048 7547 1 29 . 1 1 37 37 LEU N N 37 122.700 122.700 118.703 3.997 18048 7548 1 29 . 1 1 37 37 LEU HA H 37 4.160 4.160 3.950 0.210 18048 7549 1 29 . 1 1 37 37 LEU C C 37 173.600 173.600 174.939 -1.339 18048 7550 1 29 . 1 1 37 37 LEU CA C 37 53.400 53.400 54.289 -0.889 18048 7551 1 29 . 1 1 37 37 LEU CB C 37 40.500 40.500 40.893 -0.393 18048 7552 1 29 . 1 1 37 37 LEU H H 37 8.380 8.380 8.358 0.022 18048 7553 1 29 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.452 -0.182 18048 7554 1 29 . 1 1 38 38 PRO C C 38 174.400 174.400 176.500 -2.100 18048 7555 1 29 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.677 -1.277 18048 7556 1 29 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.364 -2.564 18048 7557 1 29 . 1 1 39 39 LYS N N 39 122.300 122.300 118.066 4.234 18048 7558 1 29 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.482 -0.102 18048 7559 1 29 . 1 1 39 39 LYS C C 39 172.300 172.300 175.514 -3.214 18048 7560 1 29 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.056 -2.356 18048 7561 1 29 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.444 -2.144 18048 7562 1 29 . 1 1 39 39 LYS H H 39 8.920 8.920 8.445 0.475 18048 7563 1 29 . 1 1 40 40 VAL N N 40 118.500 118.500 121.424 -2.924 18048 7564 1 29 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.398 -0.118 18048 7565 1 29 . 1 1 40 40 VAL C C 40 173.600 173.600 175.650 -2.050 18048 7566 1 29 . 1 1 40 40 VAL CA C 40 58.100 58.100 60.646 -2.546 18048 7567 1 29 . 1 1 40 40 VAL CB C 40 31.400 31.400 34.610 -3.210 18048 7568 1 29 . 1 1 40 40 VAL H H 40 7.000 7.000 7.548 -0.548 18048 7569 1 29 . 1 1 41 41 GLU N N 41 131.800 131.800 128.370 3.430 18048 7570 1 29 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.744 0.206 18048 7571 1 29 . 1 1 41 41 GLU C C 41 174.700 174.700 177.377 -2.677 18048 7572 1 29 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.630 -1.930 18048 7573 1 29 . 1 1 41 41 GLU CB C 41 27.100 27.100 28.851 -1.751 18048 7574 1 29 . 1 1 41 41 GLU H H 41 8.820 8.820 9.044 -0.224 18048 7575 1 29 . 1 1 42 42 ALA N N 42 117.700 117.700 121.904 -4.204 18048 7576 1 29 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.091 -0.301 18048 7577 1 29 . 1 1 42 42 ALA C C 42 178.000 178.000 180.084 -2.084 18048 7578 1 29 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.851 -1.951 18048 7579 1 29 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.065 -2.665 18048 7580 1 29 . 1 1 42 42 ALA H H 42 8.630 8.630 8.352 0.278 18048 7581 1 29 . 1 1 43 43 LYS N N 43 113.500 113.500 119.731 -6.231 18048 7582 1 29 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.055 0.035 18048 7583 1 29 . 1 1 43 43 LYS C C 43 176.600 176.600 179.015 -2.415 18048 7584 1 29 . 1 1 43 43 LYS CA C 43 55.200 55.200 59.261 -4.061 18048 7585 1 29 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.271 -2.271 18048 7586 1 29 . 1 1 43 43 LYS H H 43 6.530 6.530 7.806 -1.276 18048 7587 1 29 . 1 1 44 44 PHE N N 44 123.600 123.600 121.486 2.114 18048 7588 1 29 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.279 -0.339 18048 7589 1 29 . 1 1 44 44 PHE C C 44 173.300 173.300 177.213 -3.913 18048 7590 1 29 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.507 -1.207 18048 7591 1 29 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.313 -2.613 18048 7592 1 29 . 1 1 44 44 PHE H H 44 8.610 8.610 8.396 0.214 18048 7593 1 29 . 1 1 45 45 ILE N N 45 119.600 119.600 119.320 0.280 18048 7594 1 29 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.313 0.057 18048 7595 1 29 . 1 1 45 45 ILE C C 45 174.700 174.700 177.591 -2.891 18048 7596 1 29 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.679 -2.179 18048 7597 1 29 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.379 -2.379 18048 7598 1 29 . 1 1 45 45 ILE H H 45 8.690 8.690 8.468 0.222 18048 7599 1 29 . 1 1 46 46 ASN N N 46 115.900 115.900 118.314 -2.414 18048 7600 1 29 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.317 -0.067 18048 7601 1 29 . 1 1 46 46 ASN C C 46 173.800 173.800 177.436 -3.636 18048 7602 1 29 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.370 -2.570 18048 7603 1 29 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.481 -2.881 18048 7604 1 29 . 1 1 46 46 ASN H H 46 7.320 7.320 8.135 -0.815 18048 7605 1 29 . 1 1 47 47 TYR N N 47 120.900 120.900 120.297 0.603 18048 7606 1 29 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.260 0.030 18048 7607 1 29 . 1 1 47 47 TYR C C 47 174.400 174.400 177.678 -3.278 18048 7608 1 29 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.735 -3.535 18048 7609 1 29 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.830 -3.030 18048 7610 1 29 . 1 1 47 47 TYR H H 47 7.840 7.840 8.103 -0.263 18048 7611 1 29 . 1 1 48 48 VAL N N 48 117.800 117.800 120.771 -2.971 18048 7612 1 29 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.379 0.091 18048 7613 1 29 . 1 1 48 48 VAL C C 48 176.300 176.300 177.464 -1.164 18048 7614 1 29 . 1 1 48 48 VAL CA C 48 63.800 63.800 67.097 -3.297 18048 7615 1 29 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.234 -2.834 18048 7616 1 29 . 1 1 48 48 VAL H H 48 8.260 8.260 8.404 -0.144 18048 7617 1 29 . 1 1 49 49 LYS N N 49 119.700 119.700 117.928 1.772 18048 7618 1 29 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.262 -0.312 18048 7619 1 29 . 1 1 49 49 LYS C C 49 176.400 176.400 178.478 -2.078 18048 7620 1 29 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.003 -1.403 18048 7621 1 29 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.041 -2.141 18048 7622 1 29 . 1 1 49 49 LYS H H 49 8.070 8.070 8.087 -0.017 18048 7623 1 29 . 1 1 50 50 ASN N N 50 115.600 115.600 117.043 -1.443 18048 7624 1 29 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.461 -0.111 18048 7625 1 29 . 1 1 50 50 ASN C C 50 174.100 174.100 176.729 -2.629 18048 7626 1 29 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.454 -2.454 18048 7627 1 29 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.492 -2.192 18048 7628 1 29 . 1 1 50 50 ASN H H 50 8.080 8.080 7.616 0.464 18048 7629 1 29 . 1 1 51 51 CYS N N 51 115.800 115.800 117.329 -1.529 18048 7630 1 29 . 1 1 51 51 CYS C C 51 172.800 172.800 174.499 -1.699 18048 7631 1 29 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.160 -2.360 18048 7632 1 29 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.832 -4.632 18048 7633 1 29 . 1 1 51 51 CYS H H 51 8.480 8.480 7.482 0.998 18048 7634 1 29 . 1 1 52 52 PHE N N 52 112.700 112.700 118.750 -6.050 18048 7635 1 29 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.676 -0.056 18048 7636 1 29 . 1 1 52 52 PHE C C 52 171.900 171.900 174.244 -2.344 18048 7637 1 29 . 1 1 52 52 PHE CA C 52 54.600 54.600 56.835 -2.235 18048 7638 1 29 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.288 -4.388 18048 7639 1 29 . 1 1 52 52 PHE H H 52 7.230 7.230 8.231 -1.001 18048 7640 1 29 . 1 1 53 53 ARG N N 53 114.500 114.500 125.527 -11.027 18048 7641 1 29 . 1 1 53 53 ARG C C 53 172.000 172.000 174.995 -2.995 18048 7642 1 29 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.423 -1.523 18048 7643 1 29 . 1 1 53 53 ARG CB C 53 23.500 23.500 27.899 -4.399 18048 7644 1 29 . 1 1 53 53 ARG H H 53 7.200 7.200 7.631 -0.431 18048 7645 1 29 . 1 1 54 54 MET N N 54 116.800 116.800 123.586 -6.786 18048 7646 1 29 . 1 1 54 54 MET HA H 54 4.430 4.430 4.828 -0.398 18048 7647 1 29 . 1 1 54 54 MET C C 54 172.600 172.600 175.898 -3.298 18048 7648 1 29 . 1 1 54 54 MET CA C 54 52.800 52.800 55.031 -2.231 18048 7649 1 29 . 1 1 54 54 MET CB C 54 31.500 31.500 32.822 -1.322 18048 7650 1 29 . 1 1 54 54 MET H H 54 6.770 6.770 8.396 -1.626 18048 7651 1 29 . 1 1 55 55 THR N N 55 110.800 110.800 115.851 -5.051 18048 7652 1 29 . 1 1 55 55 THR HA H 55 4.280 4.280 4.497 -0.217 18048 7653 1 29 . 1 1 55 55 THR C C 55 171.800 171.800 173.855 -2.055 18048 7654 1 29 . 1 1 55 55 THR CA C 55 58.400 58.400 61.302 -2.902 18048 7655 1 29 . 1 1 55 55 THR CB C 55 67.400 67.400 69.406 -2.006 18048 7656 1 29 . 1 1 55 55 THR H H 55 8.480 8.480 8.466 0.014 18048 7657 1 29 . 1 1 56 56 ASP N N 56 123.800 123.800 122.090 1.710 18048 7658 1 29 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.836 -0.356 18048 7659 1 29 . 1 1 56 56 ASP C C 56 173.200 173.200 176.335 -3.135 18048 7660 1 29 . 1 1 56 56 ASP CA C 56 51.600 51.600 53.855 -2.256 18048 7661 1 29 . 1 1 56 56 ASP CB C 56 39.100 39.100 43.202 -4.102 18048 7662 1 29 . 1 1 56 56 ASP H H 56 7.450 7.450 7.890 -0.440 18048 7663 1 29 . 1 1 57 57 GLN N N 57 126.600 126.600 123.923 2.677 18048 7664 1 29 . 1 1 57 57 GLN HA H 57 3.800 3.800 4.045 -0.245 18048 7665 1 29 . 1 1 57 57 GLN C C 57 175.400 175.400 178.035 -2.635 18048 7666 1 29 . 1 1 57 57 GLN CA C 57 56.600 56.600 58.637 -2.037 18048 7667 1 29 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.412 -2.812 18048 7668 1 29 . 1 1 57 57 GLN H H 57 8.880 8.880 8.914 -0.034 18048 7669 1 29 . 1 1 58 58 GLU N N 58 119.400 119.400 120.259 -0.859 18048 7670 1 29 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.104 -0.124 18048 7671 1 29 . 1 1 58 58 GLU C C 58 175.900 175.900 178.090 -2.190 18048 7672 1 29 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.477 -2.577 18048 7673 1 29 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.921 -2.621 18048 7674 1 29 . 1 1 58 58 GLU H H 58 8.220 8.220 8.800 -0.580 18048 7675 1 29 . 1 1 59 59 ALA N N 59 123.300 123.300 121.530 1.770 18048 7676 1 29 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.230 -0.130 18048 7677 1 29 . 1 1 59 59 ALA C C 59 177.400 177.400 179.877 -2.477 18048 7678 1 29 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.598 -2.698 18048 7679 1 29 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.381 -2.481 18048 7680 1 29 . 1 1 59 59 ALA H H 59 7.710 7.710 7.558 0.152 18048 7681 1 29 . 1 1 60 60 ILE N N 60 117.300 117.300 120.043 -2.743 18048 7682 1 29 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.650 -0.150 18048 7683 1 29 . 1 1 60 60 ILE C C 60 175.100 175.100 178.176 -3.076 18048 7684 1 29 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.475 -1.675 18048 7685 1 29 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.073 -3.273 18048 7686 1 29 . 1 1 60 60 ILE H H 60 8.130 8.130 8.135 -0.005 18048 7687 1 29 . 1 1 61 61 GLN N N 61 118.800 118.800 118.721 0.079 18048 7688 1 29 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.331 -0.151 18048 7689 1 29 . 1 1 61 61 GLN C C 61 175.900 175.900 177.878 -1.978 18048 7690 1 29 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.862 -2.562 18048 7691 1 29 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.607 -2.607 18048 7692 1 29 . 1 1 61 61 GLN H H 61 8.000 8.000 8.641 -0.641 18048 7693 1 29 . 1 1 62 62 ASP N N 62 121.000 121.000 121.511 -0.511 18048 7694 1 29 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.492 -0.102 18048 7695 1 29 . 1 1 62 62 ASP C C 62 177.200 177.200 178.710 -1.510 18048 7696 1 29 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.312 -2.312 18048 7697 1 29 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.838 -2.938 18048 7698 1 29 . 1 1 62 62 ASP H H 62 8.020 8.020 7.902 0.118 18048 7699 1 29 . 1 1 63 63 LEU N N 63 120.700 120.700 120.587 0.113 18048 7700 1 29 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.271 -0.071 18048 7701 1 29 . 1 1 63 63 LEU C C 63 175.600 175.600 179.246 -3.646 18048 7702 1 29 . 1 1 63 63 LEU CA C 63 55.400 55.400 57.787 -2.387 18048 7703 1 29 . 1 1 63 63 LEU CB C 63 39.400 39.400 42.032 -2.631 18048 7704 1 29 . 1 1 63 63 LEU H H 63 8.220 8.220 8.433 -0.213 18048 7705 1 29 . 1 1 64 64 TRP N N 64 122.400 122.400 121.570 0.830 18048 7706 1 29 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.169 -0.139 18048 7707 1 29 . 1 1 64 64 TRP C C 64 173.500 173.500 178.262 -4.762 18048 7708 1 29 . 1 1 64 64 TRP CA C 64 56.200 56.200 61.182 -4.982 18048 7709 1 29 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.129 -2.329 18048 7710 1 29 . 1 1 64 64 TRP H H 64 8.890 8.890 8.726 0.164 18048 7711 1 29 . 1 1 65 65 GLN N N 65 116.700 116.700 118.173 -1.473 18048 7712 1 29 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.803 -0.513 18048 7713 1 29 . 1 1 65 65 GLN C C 65 176.200 176.200 178.449 -2.249 18048 7714 1 29 . 1 1 65 65 GLN CA C 65 55.900 55.900 59.322 -3.422 18048 7715 1 29 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.129 -3.429 18048 7716 1 29 . 1 1 65 65 GLN H H 65 8.310 8.310 8.652 -0.342 18048 7717 1 29 . 1 1 66 66 TRP N N 66 119.500 119.500 121.125 -1.625 18048 7718 1 29 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.368 -0.358 18048 7719 1 29 . 1 1 66 66 TRP C C 66 175.100 175.100 178.004 -2.904 18048 7720 1 29 . 1 1 66 66 TRP CA C 66 58.100 58.100 60.202 -2.102 18048 7721 1 29 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.826 -5.226 18048 7722 1 29 . 1 1 66 66 TRP H H 66 7.750 7.750 8.367 -0.617 18048 7723 1 29 . 1 1 67 67 ARG N N 67 122.300 122.300 118.982 3.318 18048 7724 1 29 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.049 0.001 18048 7725 1 29 . 1 1 67 67 ARG C C 67 177.800 177.800 178.422 -0.622 18048 7726 1 29 . 1 1 67 67 ARG CA C 67 56.500 56.500 58.352 -1.852 18048 7727 1 29 . 1 1 67 67 ARG CB C 67 25.300 25.300 29.878 -4.579 18048 7728 1 29 . 1 1 67 67 ARG H H 67 8.640 8.640 8.183 0.457 18048 7729 1 29 . 1 1 68 68 LYS N N 68 118.400 118.400 119.821 -1.421 18048 7730 1 29 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.018 -0.628 18048 7731 1 29 . 1 1 68 68 LYS C C 68 173.800 173.800 177.984 -4.184 18048 7732 1 29 . 1 1 68 68 LYS CA C 68 55.500 55.500 58.404 -2.904 18048 7733 1 29 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.047 -4.048 18048 7734 1 29 . 1 1 68 68 LYS H H 68 7.860 7.860 8.227 -0.367 18048 7735 1 29 . 1 1 69 69 SER N N 69 114.500 114.500 113.416 1.084 18048 7736 1 29 . 1 1 69 69 SER HA H 69 4.200 4.200 4.173 0.027 18048 7737 1 29 . 1 1 69 69 SER C C 69 170.300 170.300 173.714 -3.414 18048 7738 1 29 . 1 1 69 69 SER CA C 69 55.700 55.700 59.474 -3.774 18048 7739 1 29 . 1 1 69 69 SER CB C 69 61.500 61.500 62.934 -1.434 18048 7740 1 29 . 1 1 69 69 SER H H 69 7.060 7.060 7.540 -0.480 18048 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 64 2.805 0.249 2.816 18048 2 1 1 "Average Difference" HA 65 0.324 0.153 0.288 18048 3 1 1 "Average Difference" C 65 2.721 2.559 0.932 18048 4 1 1 "Average Difference" CA 68 2.801 2.589 1.078 18048 5 1 1 "Average Difference" CB 64 3.067 2.911 0.972 18048 6 1 1 "Average Difference" HN 64 0.493 0.067 0.492 18048 7 1 2 "Average Difference" N 64 2.317 0.216 2.326 18048 8 1 2 "Average Difference" HA 65 0.263 0.147 0.220 18048 9 1 2 "Average Difference" C 65 2.795 2.608 1.011 18048 10 1 2 "Average Difference" CA 68 2.879 2.649 1.136 18048 11 1 2 "Average Difference" CB 64 2.914 2.706 1.090 18048 12 1 2 "Average Difference" HN 64 0.486 0.117 0.476 18048 13 1 3 "Average Difference" N 64 2.253 0.218 2.260 18048 14 1 3 "Average Difference" HA 65 0.266 0.142 0.226 18048 15 1 3 "Average Difference" C 65 2.817 2.682 0.870 18048 16 1 3 "Average Difference" CA 68 2.821 2.654 0.965 18048 17 1 3 "Average Difference" CB 64 2.891 2.706 1.024 18048 18 1 3 "Average Difference" HN 64 0.520 0.139 0.505 18048 19 1 4 "Average Difference" N 64 2.779 0.375 2.775 18048 20 1 4 "Average Difference" HA 65 0.314 0.172 0.265 18048 21 1 4 "Average Difference" C 65 2.707 2.543 0.935 18048 22 1 4 "Average Difference" CA 68 2.633 2.435 1.010 18048 23 1 4 "Average Difference" CB 64 2.978 2.795 1.038 18048 24 1 4 "Average Difference" HN 64 0.489 0.136 0.474 18048 25 1 6 "Average Difference" N 64 2.973 0.589 2.937 18048 26 1 6 "Average Difference" HA 65 0.304 0.151 0.266 18048 27 1 6 "Average Difference" C 65 2.829 2.652 0.994 18048 28 1 6 "Average Difference" CA 68 2.783 2.598 1.004 18048 29 1 6 "Average Difference" CB 64 3.023 2.834 1.059 18048 30 1 6 "Average Difference" HN 64 0.544 0.130 0.533 18048 31 1 7 "Average Difference" N 64 3.301 0.136 3.324 18048 32 1 7 "Average Difference" HA 65 0.327 0.103 0.313 18048 33 1 7 "Average Difference" C 65 2.898 2.754 0.909 18048 34 1 7 "Average Difference" CA 68 3.010 2.777 1.169 18048 35 1 7 "Average Difference" CB 64 2.838 2.615 1.111 18048 36 1 7 "Average Difference" HN 64 0.507 0.203 0.468 18048 37 1 8 "Average Difference" N 64 3.006 0.155 3.026 18048 38 1 8 "Average Difference" HA 65 0.272 0.146 0.231 18048 39 1 8 "Average Difference" C 65 2.865 2.704 0.953 18048 40 1 8 "Average Difference" CA 68 2.907 2.683 1.126 18048 41 1 8 "Average Difference" CB 64 2.929 2.709 1.123 18048 42 1 8 "Average Difference" HN 64 0.549 0.125 0.539 18048 43 1 9 "Average Difference" N 64 2.503 0.002 2.523 18048 44 1 9 "Average Difference" HA 65 0.259 0.133 0.224 18048 45 1 9 "Average Difference" C 65 2.870 2.723 0.916 18048 46 1 9 "Average Difference" CA 68 2.801 2.617 1.006 18048 47 1 9 "Average Difference" CB 64 3.040 2.833 1.110 18048 48 1 9 "Average Difference" HN 64 0.505 0.110 0.497 18048 49 1 13 "Average Difference" N 64 2.216 0.268 2.217 18048 50 1 13 "Average Difference" HA 65 0.277 0.140 0.241 18048 51 1 13 "Average Difference" C 65 2.717 2.571 0.885 18048 52 1 13 "Average Difference" CA 68 2.857 2.648 1.081 18048 53 1 13 "Average Difference" CB 64 3.109 2.934 1.037 18048 54 1 13 "Average Difference" HN 64 0.503 0.165 0.479 18048 55 1 14 "Average Difference" N 64 2.845 -0.055 2.867 18048 56 1 14 "Average Difference" HA 65 0.295 0.161 0.249 18048 57 1 14 "Average Difference" C 65 2.874 2.668 1.075 18048 58 1 14 "Average Difference" CA 68 2.773 2.513 1.182 18048 59 1 14 "Average Difference" CB 64 3.013 2.760 1.218 18048 60 1 14 "Average Difference" HN 64 0.516 0.080 0.514 18048 61 1 15 "Average Difference" N 64 2.979 -0.324 2.985 18048 62 1 15 "Average Difference" HA 65 0.293 0.119 0.270 18048 63 1 15 "Average Difference" C 65 2.855 2.660 1.046 18048 64 1 15 "Average Difference" CA 68 2.893 2.675 1.110 18048 65 1 15 "Average Difference" CB 64 3.122 2.876 1.225 18048 66 1 15 "Average Difference" HN 64 0.522 0.125 0.511 18048 67 1 16 "Average Difference" N 64 2.856 -0.327 2.859 18048 68 1 16 "Average Difference" HA 65 0.279 0.128 0.250 18048 69 1 16 "Average Difference" C 65 2.819 2.641 0.996 18048 70 1 16 "Average Difference" CA 68 2.739 2.512 1.099 18048 71 1 16 "Average Difference" CB 64 3.042 2.837 1.106 18048 72 1 16 "Average Difference" HN 64 0.487 0.100 0.481 18048 73 1 18 "Average Difference" N 64 2.669 0.040 2.689 18048 74 1 18 "Average Difference" HA 65 0.328 0.149 0.295 18048 75 1 18 "Average Difference" C 65 2.820 2.675 0.898 18048 76 1 18 "Average Difference" CA 68 2.794 2.615 0.992 18048 77 1 18 "Average Difference" CB 64 2.922 2.757 0.975 18048 78 1 18 "Average Difference" HN 64 0.496 0.143 0.479 18048 79 1 19 "Average Difference" N 64 2.539 -0.280 2.544 18048 80 1 19 "Average Difference" HA 65 0.307 0.072 0.301 18048 81 1 19 "Average Difference" C 65 2.946 2.810 0.892 18048 82 1 19 "Average Difference" CA 68 2.909 2.751 0.953 18048 83 1 19 "Average Difference" CB 64 2.873 2.694 1.008 18048 84 1 19 "Average Difference" HN 64 0.491 0.104 0.483 18048 85 1 22 "Average Difference" N 64 2.858 0.361 2.858 18048 86 1 22 "Average Difference" HA 65 0.302 0.146 0.267 18048 87 1 22 "Average Difference" C 65 2.827 2.657 0.973 18048 88 1 22 "Average Difference" CA 68 2.936 2.710 1.137 18048 89 1 22 "Average Difference" CB 64 2.968 2.808 0.967 18048 90 1 22 "Average Difference" HN 64 0.526 0.130 0.513 18048 91 1 23 "Average Difference" N 64 2.661 -0.274 2.668 18048 92 1 23 "Average Difference" HA 65 0.270 0.143 0.231 18048 93 1 23 "Average Difference" C 65 2.779 2.663 0.801 18048 94 1 23 "Average Difference" CA 68 2.764 2.630 0.856 18048 95 1 23 "Average Difference" CB 64 2.878 2.749 0.859 18048 96 1 23 "Average Difference" HN 64 0.542 0.094 0.538 18048 97 1 25 "Average Difference" N 64 2.822 0.254 2.833 18048 98 1 25 "Average Difference" HA 65 0.306 0.192 0.240 18048 99 1 25 "Average Difference" C 65 2.782 2.639 0.885 18048 100 1 25 "Average Difference" CA 68 2.698 2.561 0.856 18048 101 1 25 "Average Difference" CB 64 2.954 2.794 0.965 18048 102 1 25 "Average Difference" HN 64 0.488 0.109 0.479 18048 103 1 27 "Average Difference" N 64 2.451 0.042 2.470 18048 104 1 27 "Average Difference" HA 65 0.318 0.133 0.291 18048 105 1 27 "Average Difference" C 65 2.885 2.687 1.059 18048 106 1 27 "Average Difference" CA 68 2.814 2.623 1.027 18048 107 1 27 "Average Difference" CB 64 3.113 2.830 1.307 18048 108 1 27 "Average Difference" HN 64 0.536 0.135 0.522 18048 109 1 28 "Average Difference" N 64 2.883 0.441 2.872 18048 110 1 28 "Average Difference" HA 65 0.294 0.174 0.238 18048 111 1 28 "Average Difference" C 65 2.705 2.563 0.874 18048 112 1 28 "Average Difference" CA 68 2.626 2.471 0.896 18048 113 1 28 "Average Difference" CB 64 3.094 2.898 1.091 18048 114 1 28 "Average Difference" HN 64 0.497 0.077 0.495 18048 115 1 29 "Average Difference" N 64 2.935 0.300 2.943 18048 116 1 29 "Average Difference" HA 65 0.266 0.147 0.223 18048 117 1 29 "Average Difference" C 65 2.772 2.629 0.886 18048 118 1 29 "Average Difference" CA 68 2.760 2.614 0.892 18048 119 1 29 "Average Difference" CB 64 3.018 2.842 1.022 18048 120 1 29 "Average Difference" HN 64 0.502 0.130 0.489 18048 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 18048 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 122.400 122.400 121.254 1.146 18048 2 1 . 1 1 2 2 GLU HA H 2 4.130 4.130 4.345 -0.215 18048 3 1 . 1 1 2 2 GLU C C 2 173.800 173.800 175.902 -2.102 18048 4 1 . 1 1 2 2 GLU CA C 2 54.100 54.100 56.651 -2.551 18048 5 1 . 1 1 2 2 GLU CB C 2 27.300 27.300 30.067 -2.767 18048 6 1 . 1 1 2 2 GLU H H 2 8.490 8.490 8.602 -0.112 18048 7 1 . 1 1 3 3 SER N N 3 116.300 116.300 115.108 1.192 18048 8 1 . 1 1 3 3 SER HA H 3 4.240 4.240 4.450 -0.210 18048 9 1 . 1 1 3 3 SER C C 3 171.500 171.500 174.008 -2.508 18048 10 1 . 1 1 3 3 SER CA C 3 55.800 55.800 58.364 -2.564 18048 11 1 . 1 1 3 3 SER CB C 3 60.900 60.900 63.660 -2.760 18048 12 1 . 1 1 3 3 SER H H 3 8.210 8.210 8.070 0.140 18048 13 1 . 1 1 4 4 PHE N N 4 121.700 121.700 120.860 0.840 18048 14 1 . 1 1 4 4 PHE HA H 4 4.480 4.480 4.529 -0.049 18048 15 1 . 1 1 4 4 PHE C C 4 172.800 172.800 175.534 -2.734 18048 16 1 . 1 1 4 4 PHE CA C 4 55.000 55.000 58.153 -3.153 18048 17 1 . 1 1 4 4 PHE CB C 4 36.500 36.500 39.528 -3.028 18048 18 1 . 1 1 4 4 PHE H H 4 8.040 8.040 8.040 0.000 18048 19 1 . 1 1 5 5 LYS N N 5 122.600 122.600 120.534 2.066 18048 20 1 . 1 1 5 5 LYS HA H 5 4.120 4.120 4.265 -0.145 18048 21 1 . 1 1 5 5 LYS C C 5 173.400 173.400 176.052 -2.652 18048 22 1 . 1 1 5 5 LYS CA C 5 53.400 53.400 56.642 -3.242 18048 23 1 . 1 1 5 5 LYS CB C 5 30.100 30.100 33.079 -2.979 18048 24 1 . 1 1 5 5 LYS H H 5 7.990 7.990 8.234 -0.244 18048 25 1 . 1 1 6 6 LYS N N 6 122.800 122.800 119.536 3.264 18048 26 1 . 1 1 6 6 LYS C C 6 173.700 173.700 176.179 -2.479 18048 27 1 . 1 1 6 6 LYS CA C 6 53.700 53.700 56.764 -3.064 18048 28 1 . 1 1 6 6 LYS H H 6 8.160 8.160 8.191 -0.031 18048 29 1 . 1 1 7 7 GLN N N 7 120.800 120.800 119.454 1.346 18048 30 1 . 1 1 7 7 GLN HA H 7 4.530 4.530 4.318 0.212 18048 31 1 . 1 1 7 7 GLN C C 7 173.600 173.600 175.732 -2.132 18048 32 1 . 1 1 7 7 GLN CA C 7 53.700 53.700 56.281 -2.581 18048 33 1 . 1 1 7 7 GLN CB C 7 27.300 27.300 29.466 -2.166 18048 34 1 . 1 1 7 7 GLN H H 7 8.240 8.240 8.330 -0.090 18048 35 1 . 1 1 8 8 GLU N N 8 121.400 121.400 119.813 1.587 18048 36 1 . 1 1 8 8 GLU HA H 8 4.200 4.200 4.326 -0.126 18048 37 1 . 1 1 8 8 GLU C C 8 173.100 173.100 175.968 -2.868 18048 38 1 . 1 1 8 8 GLU CA C 8 52.900 52.900 56.740 -3.840 18048 39 1 . 1 1 8 8 GLU CB C 8 27.600 27.600 30.114 -2.513 18048 40 1 . 1 1 8 8 GLU H H 8 8.270 8.270 8.427 -0.157 18048 41 1 . 1 1 9 9 LYS N N 9 123.000 123.000 120.353 2.647 18048 42 1 . 1 1 9 9 LYS HA H 9 4.240 4.240 4.357 -0.117 18048 43 1 . 1 1 9 9 LYS C C 9 173.700 173.700 175.946 -2.247 18048 44 1 . 1 1 9 9 LYS CA C 9 53.500 53.500 56.424 -2.924 18048 45 1 . 1 1 9 9 LYS CB C 9 30.100 30.100 32.690 -2.590 18048 46 1 . 1 1 9 9 LYS H H 9 8.390 8.390 8.269 0.121 18048 47 1 . 1 1 10 10 THR N N 10 117.900 117.900 113.303 4.597 18048 48 1 . 1 1 10 10 THR HA H 10 4.450 4.450 4.497 -0.047 18048 49 1 . 1 1 10 10 THR C C 10 170.000 170.000 173.045 -3.045 18048 50 1 . 1 1 10 10 THR CA C 10 57.000 57.000 60.466 -3.466 18048 51 1 . 1 1 10 10 THR CB C 10 66.800 66.800 68.736 -1.936 18048 52 1 . 1 1 10 10 THR H H 10 8.140 8.140 7.991 0.149 18048 53 1 . 1 1 11 11 PRO HA H 11 4.310 4.310 4.487 -0.177 18048 54 1 . 1 1 11 11 PRO C C 11 173.800 173.800 176.643 -2.843 18048 55 1 . 1 1 11 11 PRO CA C 11 60.400 60.400 63.228 -2.828 18048 56 1 . 1 1 11 11 PRO CB C 11 29.300 29.300 32.169 -2.869 18048 57 1 . 1 1 12 12 LYS N N 12 121.700 121.700 120.559 1.141 18048 58 1 . 1 1 12 12 LYS HA H 12 4.210 4.210 4.435 -0.225 18048 59 1 . 1 1 12 12 LYS CA C 12 53.500 53.500 56.409 -2.909 18048 60 1 . 1 1 12 12 LYS CB C 12 30.200 30.200 32.754 -2.554 18048 61 1 . 1 1 12 12 LYS H H 12 8.380 8.380 8.307 0.073 18048 62 1 . 1 1 13 13 THR N N 13 115.600 115.600 116.757 -1.157 18048 63 1 . 1 1 13 13 THR HA H 13 4.360 4.360 4.580 -0.220 18048 64 1 . 1 1 13 13 THR C C 13 169.800 169.800 172.764 -2.964 18048 65 1 . 1 1 13 13 THR CA C 13 55.800 55.800 60.297 -4.497 18048 66 1 . 1 1 13 13 THR CB C 13 67.800 67.800 69.135 -1.335 18048 67 1 . 1 1 13 13 THR H H 13 7.940 7.940 8.056 -0.116 18048 68 1 . 1 1 14 14 PRO HA H 14 4.390 4.390 4.574 -0.184 18048 69 1 . 1 1 14 14 PRO C C 14 174.000 174.000 176.255 -2.255 18048 70 1 . 1 1 14 14 PRO CA C 14 60.300 60.300 62.863 -2.563 18048 71 1 . 1 1 14 14 PRO CB C 14 29.200 29.200 32.257 -3.057 18048 72 1 . 1 1 15 15 LYS N N 15 121.700 121.700 121.742 -0.042 18048 73 1 . 1 1 15 15 LYS HA H 15 4.210 4.210 4.423 -0.213 18048 74 1 . 1 1 15 15 LYS CA C 15 53.500 53.500 56.022 -2.522 18048 75 1 . 1 1 15 15 LYS CB C 15 30.300 30.300 33.456 -3.156 18048 76 1 . 1 1 15 15 LYS H H 15 8.360 8.360 8.330 0.030 18048 77 1 . 1 1 16 16 GLY N N 16 110.100 110.100 109.965 0.135 18048 78 1 . 1 1 16 16 GLY C C 16 168.900 168.900 172.629 -3.729 18048 79 1 . 1 1 16 16 GLY CA C 16 41.700 41.700 44.457 -2.757 18048 80 1 . 1 1 16 16 GLY H H 16 8.220 8.220 8.186 0.034 18048 81 1 . 1 1 17 17 PRO HA H 17 4.380 4.380 4.472 -0.092 18048 82 1 . 1 1 17 17 PRO C C 17 174.600 174.600 176.735 -2.135 18048 83 1 . 1 1 17 17 PRO CA C 17 60.500 60.500 62.639 -2.139 18048 84 1 . 1 1 17 17 PRO CB C 17 29.400 29.400 32.540 -3.140 18048 85 1 . 1 1 18 18 SER N N 18 116.500 116.500 114.207 2.293 18048 86 1 . 1 1 18 18 SER HA H 18 4.420 4.420 4.438 -0.018 18048 87 1 . 1 1 18 18 SER C C 18 171.300 171.300 174.086 -2.786 18048 88 1 . 1 1 18 18 SER CA C 18 55.900 55.900 59.021 -3.121 18048 89 1 . 1 1 18 18 SER CB C 18 61.400 61.400 63.139 -1.739 18048 90 1 . 1 1 18 18 SER H H 18 8.520 8.520 8.411 0.109 18048 91 1 . 1 1 19 19 SER N N 19 117.700 117.700 115.496 2.204 18048 92 1 . 1 1 19 19 SER HA H 19 4.370 4.370 4.583 -0.213 18048 93 1 . 1 1 19 19 SER C C 19 172.600 172.600 174.842 -2.242 18048 94 1 . 1 1 19 19 SER CA C 19 55.500 55.500 56.973 -1.473 18048 95 1 . 1 1 19 19 SER CB C 19 61.400 61.400 64.416 -3.016 18048 96 1 . 1 1 19 19 SER H H 19 8.490 8.490 7.510 0.980 18048 97 1 . 1 1 20 20 VAL N N 20 120.500 120.500 123.110 -2.610 18048 98 1 . 1 1 20 20 VAL HA H 20 3.490 3.490 3.666 -0.176 18048 99 1 . 1 1 20 20 VAL C C 20 174.300 174.300 177.054 -2.754 18048 100 1 . 1 1 20 20 VAL CA C 20 63.500 63.500 65.380 -1.880 18048 101 1 . 1 1 20 20 VAL CB C 20 28.900 28.900 31.474 -2.574 18048 102 1 . 1 1 20 20 VAL H H 20 8.310 8.310 8.657 -0.347 18048 103 1 . 1 1 21 21 GLU N N 21 118.700 118.700 119.163 -0.463 18048 104 1 . 1 1 21 21 GLU HA H 21 3.630 3.630 3.892 -0.262 18048 105 1 . 1 1 21 21 GLU C C 21 176.300 176.300 178.621 -2.321 18048 106 1 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.322 -2.422 18048 107 1 . 1 1 21 21 GLU CB C 21 25.900 25.900 28.794 -2.894 18048 108 1 . 1 1 21 21 GLU H H 21 8.110 8.110 8.499 -0.389 18048 109 1 . 1 1 22 22 ASP N N 22 120.400 120.400 120.229 0.171 18048 110 1 . 1 1 22 22 ASP HA H 22 4.260 4.260 4.353 -0.093 18048 111 1 . 1 1 22 22 ASP C C 22 175.600 175.600 177.964 -2.364 18048 112 1 . 1 1 22 22 ASP CA C 22 54.200 54.200 57.248 -3.048 18048 113 1 . 1 1 22 22 ASP CB C 22 37.900 37.900 40.707 -2.807 18048 114 1 . 1 1 22 22 ASP H H 22 7.810 7.810 7.944 -0.134 18048 115 1 . 1 1 23 23 ILE N N 23 120.900 120.900 120.345 0.555 18048 116 1 . 1 1 23 23 ILE HA H 23 3.100 3.100 3.639 -0.539 18048 117 1 . 1 1 23 23 ILE C C 23 175.100 175.100 177.748 -2.648 18048 118 1 . 1 1 23 23 ILE CA C 23 62.300 62.300 64.454 -2.154 18048 119 1 . 1 1 23 23 ILE CB C 23 34.300 34.300 37.823 -3.523 18048 120 1 . 1 1 23 23 ILE H H 23 7.670 7.670 7.536 0.134 18048 121 1 . 1 1 24 24 LYS N N 24 120.000 120.000 119.913 0.087 18048 122 1 . 1 1 24 24 LYS HA H 24 3.090 3.090 3.940 -0.850 18048 123 1 . 1 1 24 24 LYS C C 24 175.400 175.400 178.837 -3.437 18048 124 1 . 1 1 24 24 LYS CA C 24 57.400 57.400 59.294 -1.894 18048 125 1 . 1 1 24 24 LYS CB C 24 29.600 29.600 31.643 -2.042 18048 126 1 . 1 1 24 24 LYS H H 24 8.060 8.060 8.107 -0.047 18048 127 1 . 1 1 25 25 ALA N N 25 119.000 119.000 121.701 -2.701 18048 128 1 . 1 1 25 25 ALA HA H 25 4.030 4.030 4.098 -0.068 18048 129 1 . 1 1 25 25 ALA C C 25 178.700 178.700 179.936 -1.236 18048 130 1 . 1 1 25 25 ALA CA C 25 52.300 52.300 55.170 -2.870 18048 131 1 . 1 1 25 25 ALA CB C 25 14.700 14.700 18.259 -3.559 18048 132 1 . 1 1 25 25 ALA H H 25 7.410 7.410 7.997 -0.587 18048 133 1 . 1 1 26 26 LYS N N 26 120.100 120.100 118.664 1.436 18048 134 1 . 1 1 26 26 LYS HA H 26 4.050 4.050 4.097 -0.047 18048 135 1 . 1 1 26 26 LYS C C 26 177.600 177.600 179.080 -1.480 18048 136 1 . 1 1 26 26 LYS CA C 26 56.600 56.600 59.062 -2.462 18048 137 1 . 1 1 26 26 LYS CB C 26 29.600 29.600 32.188 -2.588 18048 138 1 . 1 1 26 26 LYS H H 26 7.760 7.760 8.307 -0.547 18048 139 1 . 1 1 27 27 MET N N 27 120.900 120.900 119.684 1.216 18048 140 1 . 1 1 27 27 MET HA H 27 4.220 4.220 4.220 -0.000 18048 141 1 . 1 1 27 27 MET C C 27 175.900 175.900 178.405 -2.505 18048 142 1 . 1 1 27 27 MET CA C 27 58.000 58.000 59.185 -1.185 18048 143 1 . 1 1 27 27 MET CB C 27 30.600 30.600 32.403 -1.804 18048 144 1 . 1 1 27 27 MET H H 27 8.620 8.620 8.393 0.227 18048 145 1 . 1 1 28 28 GLN N N 28 119.700 119.700 118.383 1.317 18048 146 1 . 1 1 28 28 GLN HA H 28 4.040 4.040 4.085 -0.045 18048 147 1 . 1 1 28 28 GLN C C 28 175.500 175.500 178.401 -2.901 18048 148 1 . 1 1 28 28 GLN CA C 28 56.700 56.700 58.421 -1.721 18048 149 1 . 1 1 28 28 GLN CB C 28 25.700 25.700 27.676 -1.976 18048 150 1 . 1 1 28 28 GLN H H 28 8.970 8.970 8.154 0.816 18048 151 1 . 1 1 29 29 ALA N N 29 120.900 120.900 122.667 -1.767 18048 152 1 . 1 1 29 29 ALA HA H 29 4.160 4.160 4.026 0.134 18048 153 1 . 1 1 29 29 ALA C C 29 177.500 177.500 179.859 -2.359 18048 154 1 . 1 1 29 29 ALA CA C 29 52.100 52.100 55.113 -3.013 18048 155 1 . 1 1 29 29 ALA CB C 29 14.800 14.800 18.139 -3.339 18048 156 1 . 1 1 29 29 ALA H H 29 7.940 7.940 8.292 -0.352 18048 157 1 . 1 1 30 30 SER N N 30 112.900 112.900 115.098 -2.198 18048 158 1 . 1 1 30 30 SER HA H 30 4.180 4.180 4.188 -0.008 18048 159 1 . 1 1 30 30 SER CA C 30 58.900 58.900 62.334 -3.434 18048 160 1 . 1 1 30 30 SER CB C 30 60.000 60.000 63.132 -3.132 18048 161 1 . 1 1 30 30 SER H H 30 7.780 7.780 8.002 -0.222 18048 162 1 . 1 1 31 31 ILE N N 31 122.000 122.000 121.583 0.417 18048 163 1 . 1 1 31 31 ILE HA H 31 3.850 3.850 3.871 -0.021 18048 164 1 . 1 1 31 31 ILE C C 31 173.900 173.900 177.388 -3.488 18048 165 1 . 1 1 31 31 ILE CA C 31 61.500 61.500 64.325 -2.825 18048 166 1 . 1 1 31 31 ILE CB C 31 34.900 34.900 38.098 -3.198 18048 167 1 . 1 1 31 31 ILE H H 31 7.940 7.940 8.081 -0.141 18048 168 1 . 1 1 32 32 GLU N N 32 121.800 121.800 118.567 3.233 18048 169 1 . 1 1 32 32 GLU HA H 32 4.030 4.030 4.220 -0.190 18048 170 1 . 1 1 32 32 GLU C C 32 175.200 175.200 177.895 -2.695 18048 171 1 . 1 1 32 32 GLU CA C 32 56.300 56.300 58.217 -1.917 18048 172 1 . 1 1 32 32 GLU CB C 32 26.500 26.500 29.734 -3.234 18048 173 1 . 1 1 32 32 GLU H H 32 8.140 8.140 8.161 -0.021 18048 174 1 . 1 1 33 33 LYS N N 33 116.200 116.200 117.399 -1.199 18048 175 1 . 1 1 33 33 LYS HA H 33 4.380 4.380 4.441 -0.061 18048 176 1 . 1 1 33 33 LYS C C 33 173.800 173.800 177.296 -3.496 18048 177 1 . 1 1 33 33 LYS CA C 33 52.900 52.900 56.373 -3.473 18048 178 1 . 1 1 33 33 LYS CB C 33 29.500 29.500 33.460 -3.960 18048 179 1 . 1 1 33 33 LYS H H 33 7.350 7.350 8.030 -0.680 18048 180 1 . 1 1 34 34 GLY N N 34 107.400 107.400 106.661 0.739 18048 181 1 . 1 1 34 34 GLY C C 34 172.400 172.400 174.776 -2.376 18048 182 1 . 1 1 34 34 GLY CA C 34 42.600 42.600 45.082 -2.482 18048 183 1 . 1 1 34 34 GLY H H 34 7.830 7.830 7.955 -0.125 18048 184 1 . 1 1 35 35 GLY N N 35 109.200 109.200 109.323 -0.123 18048 185 1 . 1 1 35 35 GLY C C 35 169.500 169.500 174.114 -4.614 18048 186 1 . 1 1 35 35 GLY CA C 35 41.600 41.600 45.086 -3.486 18048 187 1 . 1 1 35 35 GLY H H 35 8.330 8.330 8.083 0.247 18048 188 1 . 1 1 36 36 SER N N 36 112.700 112.700 115.393 -2.693 18048 189 1 . 1 1 36 36 SER HA H 36 4.610 4.610 4.470 0.140 18048 190 1 . 1 1 36 36 SER C C 36 171.000 171.000 173.662 -2.662 18048 191 1 . 1 1 36 36 SER CA C 36 54.000 54.000 58.108 -4.108 18048 192 1 . 1 1 36 36 SER CB C 36 62.300 62.300 64.046 -1.746 18048 193 1 . 1 1 36 36 SER H H 36 8.150 8.150 8.157 -0.007 18048 194 1 . 1 1 37 37 LEU N N 37 122.700 122.700 122.692 0.008 18048 195 1 . 1 1 37 37 LEU HA H 37 4.160 4.160 4.185 -0.025 18048 196 1 . 1 1 37 37 LEU C C 37 173.600 173.600 175.004 -1.404 18048 197 1 . 1 1 37 37 LEU CA C 37 53.400 53.400 53.194 0.206 18048 198 1 . 1 1 37 37 LEU CB C 37 40.500 40.500 42.126 -1.626 18048 199 1 . 1 1 37 37 LEU H H 37 8.380 8.380 8.101 0.279 18048 200 1 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.605 -0.335 18048 201 1 . 1 1 38 38 PRO C C 38 174.400 174.400 176.370 -1.970 18048 202 1 . 1 1 38 38 PRO CA C 38 61.400 61.400 62.562 -1.162 18048 203 1 . 1 1 38 38 PRO CB C 38 29.800 29.800 32.697 -2.897 18048 204 1 . 1 1 39 39 LYS N N 39 122.300 122.300 119.446 2.854 18048 205 1 . 1 1 39 39 LYS HA H 39 4.380 4.380 4.376 0.004 18048 206 1 . 1 1 39 39 LYS C C 39 172.300 172.300 176.446 -4.146 18048 207 1 . 1 1 39 39 LYS CA C 39 53.700 53.700 56.885 -3.185 18048 208 1 . 1 1 39 39 LYS CB C 39 31.300 31.300 33.051 -1.751 18048 209 1 . 1 1 39 39 LYS H H 39 8.920 8.920 8.383 0.537 18048 210 1 . 1 1 40 40 VAL N N 40 118.500 118.500 121.443 -2.943 18048 211 1 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.285 -0.005 18048 212 1 . 1 1 40 40 VAL C C 40 173.600 173.600 176.397 -2.797 18048 213 1 . 1 1 40 40 VAL CA C 40 58.100 58.100 61.124 -3.024 18048 214 1 . 1 1 40 40 VAL CB C 40 31.400 31.400 33.542 -2.142 18048 215 1 . 1 1 40 40 VAL H H 40 7.000 7.000 7.745 -0.745 18048 216 1 . 1 1 41 41 GLU N N 41 131.800 131.800 128.931 2.869 18048 217 1 . 1 1 41 41 GLU HA H 41 3.950 3.950 3.768 0.182 18048 218 1 . 1 1 41 41 GLU C C 41 174.700 174.700 177.793 -3.093 18048 219 1 . 1 1 41 41 GLU CA C 41 57.700 57.700 59.716 -2.016 18048 220 1 . 1 1 41 41 GLU CB C 41 27.100 27.100 29.067 -1.967 18048 221 1 . 1 1 41 41 GLU H H 41 8.820 8.820 9.042 -0.222 18048 222 1 . 1 1 42 42 ALA N N 42 117.700 117.700 121.792 -4.092 18048 223 1 . 1 1 42 42 ALA HA H 42 3.790 3.790 4.127 -0.337 18048 224 1 . 1 1 42 42 ALA C C 42 178.000 178.000 179.947 -1.947 18048 225 1 . 1 1 42 42 ALA CA C 42 52.900 52.900 54.918 -2.018 18048 226 1 . 1 1 42 42 ALA CB C 42 15.400 15.400 18.086 -2.686 18048 227 1 . 1 1 42 42 ALA H H 42 8.630 8.630 8.465 0.165 18048 228 1 . 1 1 43 43 LYS N N 43 113.500 113.500 119.493 -5.993 18048 229 1 . 1 1 43 43 LYS HA H 43 4.090 4.090 4.134 -0.044 18048 230 1 . 1 1 43 43 LYS C C 43 176.600 176.600 178.958 -2.358 18048 231 1 . 1 1 43 43 LYS CA C 43 55.200 55.200 58.848 -3.648 18048 232 1 . 1 1 43 43 LYS CB C 43 30.000 30.000 32.233 -2.233 18048 233 1 . 1 1 43 43 LYS H H 43 6.530 6.530 7.724 -1.194 18048 234 1 . 1 1 44 44 PHE N N 44 123.600 123.600 121.839 1.761 18048 235 1 . 1 1 44 44 PHE HA H 44 3.940 3.940 4.251 -0.311 18048 236 1 . 1 1 44 44 PHE C C 44 173.300 173.300 177.258 -3.958 18048 237 1 . 1 1 44 44 PHE CA C 44 60.300 60.300 61.631 -1.331 18048 238 1 . 1 1 44 44 PHE CB C 44 36.700 36.700 39.216 -2.516 18048 239 1 . 1 1 44 44 PHE H H 44 8.610 8.610 8.376 0.234 18048 240 1 . 1 1 45 45 ILE N N 45 119.600 119.600 119.277 0.323 18048 241 1 . 1 1 45 45 ILE HA H 45 3.370 3.370 3.408 -0.038 18048 242 1 . 1 1 45 45 ILE C C 45 174.700 174.700 177.490 -2.790 18048 243 1 . 1 1 45 45 ILE CA C 45 63.500 63.500 65.756 -2.256 18048 244 1 . 1 1 45 45 ILE CB C 45 35.000 35.000 37.531 -2.531 18048 245 1 . 1 1 45 45 ILE H H 45 8.690 8.690 8.711 -0.021 18048 246 1 . 1 1 46 46 ASN N N 46 115.900 115.900 118.639 -2.739 18048 247 1 . 1 1 46 46 ASN HA H 46 4.250 4.250 4.306 -0.056 18048 248 1 . 1 1 46 46 ASN C C 46 173.800 173.800 177.295 -3.495 18048 249 1 . 1 1 46 46 ASN CA C 46 53.800 53.800 56.442 -2.642 18048 250 1 . 1 1 46 46 ASN CB C 46 35.600 35.600 38.369 -2.769 18048 251 1 . 1 1 46 46 ASN H H 46 7.320 7.320 8.129 -0.809 18048 252 1 . 1 1 47 47 TYR N N 47 120.900 120.900 120.768 0.132 18048 253 1 . 1 1 47 47 TYR HA H 47 4.290 4.290 4.190 0.100 18048 254 1 . 1 1 47 47 TYR C C 47 174.400 174.400 177.696 -3.296 18048 255 1 . 1 1 47 47 TYR CA C 47 58.200 58.200 61.670 -3.470 18048 256 1 . 1 1 47 47 TYR CB C 47 35.800 35.800 38.700 -2.901 18048 257 1 . 1 1 47 47 TYR H H 47 7.840 7.840 8.189 -0.349 18048 258 1 . 1 1 48 48 VAL N N 48 117.800 117.800 119.975 -2.175 18048 259 1 . 1 1 48 48 VAL HA H 48 3.470 3.470 3.338 0.132 18048 260 1 . 1 1 48 48 VAL C C 48 176.300 176.300 177.773 -1.473 18048 261 1 . 1 1 48 48 VAL CA C 48 63.800 63.800 66.912 -3.112 18048 262 1 . 1 1 48 48 VAL CB C 48 28.400 28.400 31.335 -2.935 18048 263 1 . 1 1 48 48 VAL H H 48 8.260 8.260 8.381 -0.121 18048 264 1 . 1 1 49 49 LYS N N 49 119.700 119.700 118.088 1.612 18048 265 1 . 1 1 49 49 LYS HA H 49 3.950 3.950 4.072 -0.122 18048 266 1 . 1 1 49 49 LYS C C 49 176.400 176.400 178.507 -2.107 18048 267 1 . 1 1 49 49 LYS CA C 49 57.600 57.600 59.177 -1.577 18048 268 1 . 1 1 49 49 LYS CB C 49 29.900 29.900 32.084 -2.184 18048 269 1 . 1 1 49 49 LYS H H 49 8.070 8.070 8.195 -0.125 18048 270 1 . 1 1 50 50 ASN N N 50 115.600 115.600 116.894 -1.294 18048 271 1 . 1 1 50 50 ASN HA H 50 4.350 4.350 4.487 -0.137 18048 272 1 . 1 1 50 50 ASN C C 50 174.100 174.100 176.808 -2.708 18048 273 1 . 1 1 50 50 ASN CA C 50 53.000 53.000 55.430 -2.430 18048 274 1 . 1 1 50 50 ASN CB C 50 36.300 36.300 38.710 -2.411 18048 275 1 . 1 1 50 50 ASN H H 50 8.080 8.080 7.838 0.242 18048 276 1 . 1 1 51 51 CYS N N 51 115.800 115.800 117.230 -1.430 18048 277 1 . 1 1 51 51 CYS C C 51 172.800 172.800 174.323 -1.523 18048 278 1 . 1 1 51 51 CYS CA C 51 58.800 58.800 61.105 -2.305 18048 279 1 . 1 1 51 51 CYS CB C 51 24.200 24.200 28.649 -4.449 18048 280 1 . 1 1 51 51 CYS H H 51 8.480 8.480 7.755 0.725 18048 281 1 . 1 1 52 52 PHE N N 52 112.700 112.700 118.141 -5.441 18048 282 1 . 1 1 52 52 PHE HA H 52 4.620 4.620 4.637 -0.017 18048 283 1 . 1 1 52 52 PHE C C 52 171.900 171.900 174.271 -2.371 18048 284 1 . 1 1 52 52 PHE CA C 52 54.600 54.600 57.154 -2.554 18048 285 1 . 1 1 52 52 PHE CB C 52 36.900 36.900 41.336 -4.436 18048 286 1 . 1 1 52 52 PHE H H 52 7.230 7.230 8.123 -0.893 18048 287 1 . 1 1 53 53 ARG N N 53 114.500 114.500 122.635 -8.135 18048 288 1 . 1 1 53 53 ARG C C 53 172.000 172.000 175.314 -3.314 18048 289 1 . 1 1 53 53 ARG CA C 53 53.900 53.900 56.324 -2.424 18048 290 1 . 1 1 53 53 ARG CB C 53 23.500 23.500 28.796 -5.296 18048 291 1 . 1 1 53 53 ARG H H 53 7.200 7.200 7.877 -0.677 18048 292 1 . 1 1 54 54 MET N N 54 116.800 116.800 119.860 -3.060 18048 293 1 . 1 1 54 54 MET HA H 54 4.430 4.430 4.430 -0.000 18048 294 1 . 1 1 54 54 MET C C 54 172.600 172.600 176.343 -3.743 18048 295 1 . 1 1 54 54 MET CA C 54 52.800 52.800 55.998 -3.199 18048 296 1 . 1 1 54 54 MET CB C 54 31.500 31.500 32.961 -1.461 18048 297 1 . 1 1 54 54 MET H H 54 6.770 6.770 7.905 -1.135 18048 298 1 . 1 1 55 55 THR N N 55 110.800 110.800 112.317 -1.517 18048 299 1 . 1 1 55 55 THR HA H 55 4.280 4.280 4.266 0.014 18048 300 1 . 1 1 55 55 THR C C 55 171.800 171.800 174.018 -2.218 18048 301 1 . 1 1 55 55 THR CA C 55 58.400 58.400 62.579 -4.179 18048 302 1 . 1 1 55 55 THR CB C 55 67.400 67.400 69.140 -1.740 18048 303 1 . 1 1 55 55 THR H H 55 8.480 8.480 8.360 0.120 18048 304 1 . 1 1 56 56 ASP N N 56 123.800 123.800 123.693 0.107 18048 305 1 . 1 1 56 56 ASP HA H 56 4.480 4.480 4.691 -0.211 18048 306 1 . 1 1 56 56 ASP C C 56 173.200 173.200 176.495 -3.295 18048 307 1 . 1 1 56 56 ASP CA C 56 51.600 51.600 54.568 -2.968 18048 308 1 . 1 1 56 56 ASP CB C 56 39.100 39.100 41.335 -2.235 18048 309 1 . 1 1 56 56 ASP H H 56 7.450 7.450 8.133 -0.683 18048 310 1 . 1 1 57 57 GLN N N 57 126.600 126.600 124.903 1.697 18048 311 1 . 1 1 57 57 GLN HA H 57 3.800 3.800 3.984 -0.184 18048 312 1 . 1 1 57 57 GLN C C 57 175.400 175.400 177.446 -2.046 18048 313 1 . 1 1 57 57 GLN CA C 57 56.600 56.600 59.067 -2.467 18048 314 1 . 1 1 57 57 GLN CB C 57 25.600 25.600 28.656 -3.056 18048 315 1 . 1 1 57 57 GLN H H 57 8.880 8.880 8.796 0.084 18048 316 1 . 1 1 58 58 GLU N N 58 119.400 119.400 118.700 0.700 18048 317 1 . 1 1 58 58 GLU HA H 58 3.980 3.980 4.098 -0.118 18048 318 1 . 1 1 58 58 GLU C C 58 175.900 175.900 178.171 -2.271 18048 319 1 . 1 1 58 58 GLU CA C 58 56.900 56.900 59.160 -2.260 18048 320 1 . 1 1 58 58 GLU CB C 58 26.300 26.300 28.823 -2.523 18048 321 1 . 1 1 58 58 GLU H H 58 8.220 8.220 8.816 -0.596 18048 322 1 . 1 1 59 59 ALA N N 59 123.300 123.300 122.037 1.263 18048 323 1 . 1 1 59 59 ALA HA H 59 4.100 4.100 4.247 -0.147 18048 324 1 . 1 1 59 59 ALA C C 59 177.400 177.400 179.782 -2.382 18048 325 1 . 1 1 59 59 ALA CA C 59 51.900 51.900 54.549 -2.649 18048 326 1 . 1 1 59 59 ALA CB C 59 15.900 15.900 18.530 -2.630 18048 327 1 . 1 1 59 59 ALA H H 59 7.710 7.710 7.586 0.124 18048 328 1 . 1 1 60 60 ILE N N 60 117.300 117.300 120.053 -2.753 18048 329 1 . 1 1 60 60 ILE HA H 60 3.500 3.500 3.695 -0.195 18048 330 1 . 1 1 60 60 ILE C C 60 175.100 175.100 178.155 -3.055 18048 331 1 . 1 1 60 60 ILE CA C 60 63.800 63.800 65.486 -1.686 18048 332 1 . 1 1 60 60 ILE CB C 60 34.800 34.800 38.090 -3.290 18048 333 1 . 1 1 60 60 ILE H H 60 8.130 8.130 8.338 -0.208 18048 334 1 . 1 1 61 61 GLN N N 61 118.800 118.800 118.755 0.045 18048 335 1 . 1 1 61 61 GLN HA H 61 4.180 4.180 4.276 -0.096 18048 336 1 . 1 1 61 61 GLN C C 61 175.900 175.900 178.048 -2.148 18048 337 1 . 1 1 61 61 GLN CA C 61 56.300 56.300 58.801 -2.501 18048 338 1 . 1 1 61 61 GLN CB C 61 25.000 25.000 27.865 -2.865 18048 339 1 . 1 1 61 61 GLN H H 61 8.000 8.000 8.596 -0.596 18048 340 1 . 1 1 62 62 ASP N N 62 121.000 121.000 121.506 -0.506 18048 341 1 . 1 1 62 62 ASP HA H 62 4.390 4.390 4.515 -0.125 18048 342 1 . 1 1 62 62 ASP C C 62 177.200 177.200 178.626 -1.426 18048 343 1 . 1 1 62 62 ASP CA C 62 55.000 55.000 57.338 -2.338 18048 344 1 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.989 -3.089 18048 345 1 . 1 1 62 62 ASP H H 62 8.020 8.020 7.945 0.075 18048 346 1 . 1 1 63 63 LEU N N 63 120.700 120.700 121.072 -0.372 18048 347 1 . 1 1 63 63 LEU HA H 63 4.200 4.200 4.287 -0.087 18048 348 1 . 1 1 63 63 LEU C C 63 175.600 175.600 178.856 -3.256 18048 349 1 . 1 1 63 63 LEU CA C 63 55.400 55.400 58.038 -2.638 18048 350 1 . 1 1 63 63 LEU CB C 63 39.400 39.400 41.892 -2.492 18048 351 1 . 1 1 63 63 LEU H H 63 8.220 8.220 8.371 -0.151 18048 352 1 . 1 1 64 64 TRP N N 64 122.400 122.400 120.772 1.628 18048 353 1 . 1 1 64 64 TRP HA H 64 4.030 4.030 4.053 -0.023 18048 354 1 . 1 1 64 64 TRP C C 64 173.500 173.500 178.308 -4.808 18048 355 1 . 1 1 64 64 TRP CA C 64 56.200 56.200 60.844 -4.644 18048 356 1 . 1 1 64 64 TRP CB C 64 26.800 26.800 29.269 -2.469 18048 357 1 . 1 1 64 64 TRP H H 64 8.890 8.890 8.587 0.303 18048 358 1 . 1 1 65 65 GLN N N 65 116.700 116.700 117.733 -1.033 18048 359 1 . 1 1 65 65 GLN HA H 65 3.290 3.290 3.941 -0.651 18048 360 1 . 1 1 65 65 GLN C C 65 176.200 176.200 178.421 -2.221 18048 361 1 . 1 1 65 65 GLN CA C 65 55.900 55.900 58.820 -2.920 18048 362 1 . 1 1 65 65 GLN CB C 65 24.700 24.700 28.075 -3.375 18048 363 1 . 1 1 65 65 GLN H H 65 8.310 8.310 8.444 -0.134 18048 364 1 . 1 1 66 66 TRP N N 66 119.500 119.500 120.856 -1.356 18048 365 1 . 1 1 66 66 TRP HA H 66 4.010 4.010 4.453 -0.443 18048 366 1 . 1 1 66 66 TRP C C 66 175.100 175.100 177.680 -2.580 18048 367 1 . 1 1 66 66 TRP CA C 66 58.100 58.100 59.861 -1.761 18048 368 1 . 1 1 66 66 TRP CB C 66 24.600 24.600 29.647 -5.047 18048 369 1 . 1 1 66 66 TRP H H 66 7.750 7.750 8.317 -0.567 18048 370 1 . 1 1 67 67 ARG N N 67 122.300 122.300 118.285 4.015 18048 371 1 . 1 1 67 67 ARG HA H 67 4.050 4.050 4.150 -0.100 18048 372 1 . 1 1 67 67 ARG C C 67 177.800 177.800 178.049 -0.249 18048 373 1 . 1 1 67 67 ARG CA C 67 56.500 56.500 57.850 -1.350 18048 374 1 . 1 1 67 67 ARG CB C 67 25.300 25.300 30.116 -4.816 18048 375 1 . 1 1 67 67 ARG H H 67 8.640 8.640 8.060 0.580 18048 376 1 . 1 1 68 68 LYS N N 68 118.400 118.400 118.944 -0.544 18048 377 1 . 1 1 68 68 LYS HA H 68 3.390 3.390 4.112 -0.722 18048 378 1 . 1 1 68 68 LYS C C 68 173.800 173.800 177.404 -3.604 18048 379 1 . 1 1 68 68 LYS CA C 68 55.500 55.500 57.595 -2.095 18048 380 1 . 1 1 68 68 LYS CB C 68 28.000 28.000 32.318 -4.318 18048 381 1 . 1 1 68 68 LYS H H 68 7.860 7.860 7.898 -0.038 18048 382 1 . 1 1 69 69 SER N N 69 114.500 114.500 114.442 0.058 18048 383 1 . 1 1 69 69 SER HA H 69 4.200 4.200 4.371 -0.171 18048 384 1 . 1 1 69 69 SER C C 69 170.300 170.300 173.722 -3.422 18048 385 1 . 1 1 69 69 SER CA C 69 55.700 55.700 58.438 -2.738 18048 386 1 . 1 1 69 69 SER CB C 69 61.500 61.500 63.235 -1.735 18048 387 1 . 1 1 69 69 SER H H 69 7.060 7.060 7.720 -0.660 18048 stop_ save_