data_19667 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19667 _Entry.PDB_ID 2MI6 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 19667 _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 ARG HA H 2 4.670 4.670 4.694 -0.024 19667 2 1 1 . 1 1 2 2 ARG CA C 2 54.250 54.250 54.714 -0.464 19667 3 1 1 . 1 1 2 2 ARG CB C 2 30.250 30.250 31.406 -1.156 19667 4 1 1 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.617 -0.127 19667 5 1 1 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.679 0.491 19667 6 1 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.925 -0.805 19667 7 1 1 . 1 1 4 4 VAL N N 4 121.160 121.160 121.473 -0.313 19667 8 1 1 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.243 -0.163 19667 9 1 1 . 1 1 4 4 VAL C C 4 175.940 175.940 176.330 -0.390 19667 10 1 1 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.691 1.039 19667 11 1 1 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.565 -1.825 19667 12 1 1 . 1 1 4 4 VAL H H 4 8.310 8.310 8.177 0.133 19667 13 1 1 . 1 1 5 5 VAL N N 5 123.660 123.660 122.602 1.058 19667 14 1 1 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.942 0.258 19667 15 1 1 . 1 1 5 5 VAL C C 5 175.520 175.520 176.245 -0.725 19667 16 1 1 . 1 1 5 5 VAL CA C 5 61.940 61.940 63.956 -2.015 19667 17 1 1 . 1 1 5 5 VAL CB C 5 33.130 33.130 32.134 0.996 19667 18 1 1 . 1 1 5 5 VAL H H 5 8.160 8.160 8.583 -0.423 19667 19 1 1 . 1 1 6 6 GLU N N 6 125.610 125.610 120.689 4.921 19667 20 1 1 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.403 -0.073 19667 21 1 1 . 1 1 6 6 GLU C C 6 175.520 175.520 174.877 0.643 19667 22 1 1 . 1 1 6 6 GLU CA C 6 56.560 56.560 55.617 0.943 19667 23 1 1 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.876 -0.716 19667 24 1 1 . 1 1 6 6 GLU H H 6 8.530 8.530 7.886 0.644 19667 25 1 1 . 1 1 7 7 VAL N N 7 119.540 119.540 124.660 -5.120 19667 26 1 1 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.201 -0.031 19667 27 1 1 . 1 1 7 7 VAL C C 7 174.070 174.070 173.655 0.415 19667 28 1 1 . 1 1 7 7 VAL CA C 7 61.230 61.230 60.889 0.341 19667 29 1 1 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.500 1.130 19667 30 1 1 . 1 1 7 7 VAL H H 7 8.030 8.030 8.286 -0.256 19667 31 1 1 . 1 1 8 8 ASP N N 8 123.880 123.880 120.558 3.322 19667 32 1 1 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.818 -0.188 19667 33 1 1 . 1 1 8 8 ASP C C 8 174.090 174.090 174.262 -0.172 19667 34 1 1 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.917 0.673 19667 35 1 1 . 1 1 8 8 ASP CB C 8 42.410 42.410 42.809 -0.399 19667 36 1 1 . 1 1 8 8 ASP H H 8 8.040 8.040 7.750 0.290 19667 37 1 1 . 1 1 9 9 TYR N N 9 118.630 118.630 120.104 -1.474 19667 38 1 1 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.778 -0.008 19667 39 1 1 . 1 1 9 9 TYR C C 9 174.260 174.260 176.251 -1.991 19667 40 1 1 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.729 -0.409 19667 41 1 1 . 1 1 9 9 TYR CB C 9 42.770 42.770 40.636 2.134 19667 42 1 1 . 1 1 9 9 TYR H H 9 7.760 7.760 8.726 -0.966 19667 43 1 1 . 1 1 10 10 GLU N N 10 119.600 119.600 120.420 -0.820 19667 44 1 1 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.704 -0.014 19667 45 1 1 . 1 1 10 10 GLU C C 10 175.220 175.220 175.591 -0.371 19667 46 1 1 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.804 -0.924 19667 47 1 1 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.307 -2.577 19667 48 1 1 . 1 1 10 10 GLU H H 10 8.710 8.710 8.930 -0.220 19667 49 1 1 . 1 1 11 11 VAL N N 11 121.500 121.500 119.222 2.278 19667 50 1 1 . 1 1 11 11 VAL HA H 11 3.220 3.220 4.232 -1.012 19667 51 1 1 . 1 1 11 11 VAL C C 11 177.320 177.320 177.636 -0.316 19667 52 1 1 . 1 1 11 11 VAL CA C 11 65.750 65.750 61.989 3.761 19667 53 1 1 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.848 -0.348 19667 54 1 1 . 1 1 11 11 VAL H H 11 8.600 8.600 8.501 0.099 19667 55 1 1 . 1 1 12 12 GLY N N 12 115.830 115.830 115.589 0.241 19667 56 1 1 . 1 1 12 12 GLY C C 12 173.830 173.830 173.664 0.166 19667 57 1 1 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.795 -0.085 19667 58 1 1 . 1 1 12 12 GLY H H 12 8.990 8.990 8.758 0.232 19667 59 1 1 . 1 1 13 13 GLU N N 13 121.780 121.780 121.240 0.540 19667 60 1 1 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.479 -0.139 19667 61 1 1 . 1 1 13 13 GLU C C 13 175.460 175.460 175.189 0.271 19667 62 1 1 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.721 1.239 19667 63 1 1 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.652 0.058 19667 64 1 1 . 1 1 13 13 GLU H H 13 7.760 7.760 7.697 0.063 19667 65 1 1 . 1 1 14 14 SER N N 14 119.230 119.230 117.272 1.958 19667 66 1 1 . 1 1 14 14 SER HA H 14 5.350 5.350 5.172 0.178 19667 67 1 1 . 1 1 14 14 SER C C 14 173.600 173.600 173.511 0.089 19667 68 1 1 . 1 1 14 14 SER CA C 14 58.280 58.280 57.644 0.636 19667 69 1 1 . 1 1 14 14 SER CB C 14 64.350 64.350 64.317 0.033 19667 70 1 1 . 1 1 14 14 SER H H 14 8.650 8.650 8.486 0.164 19667 71 1 1 . 1 1 15 15 VAL N N 15 116.180 116.180 120.620 -4.440 19667 72 1 1 . 1 1 15 15 VAL HA H 15 5.010 5.010 5.107 -0.097 19667 73 1 1 . 1 1 15 15 VAL C C 15 174.220 174.220 174.453 -0.233 19667 74 1 1 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.912 -1.102 19667 75 1 1 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.807 0.873 19667 76 1 1 . 1 1 15 15 VAL H H 15 8.920 8.920 9.003 -0.083 19667 77 1 1 . 1 1 16 16 THR N N 16 116.710 116.710 120.016 -3.306 19667 78 1 1 . 1 1 16 16 THR HA H 16 4.700 4.700 4.735 -0.035 19667 79 1 1 . 1 1 16 16 THR C C 16 174.300 174.300 174.989 -0.689 19667 80 1 1 . 1 1 16 16 THR CA C 16 61.850 61.850 62.822 -0.972 19667 81 1 1 . 1 1 16 16 THR CB C 16 70.070 70.070 69.868 0.202 19667 82 1 1 . 1 1 16 16 THR H H 16 8.890 8.890 8.520 0.370 19667 83 1 1 . 1 1 17 17 VAL N N 17 127.930 127.930 126.493 1.437 19667 84 1 1 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.741 0.109 19667 85 1 1 . 1 1 17 17 VAL C C 17 176.880 176.880 175.929 0.951 19667 86 1 1 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.762 -0.212 19667 87 1 1 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.342 -0.652 19667 88 1 1 . 1 1 17 17 VAL H H 17 8.820 8.820 9.036 -0.216 19667 89 1 1 . 1 1 18 18 MET N N 18 124.420 124.420 125.486 -1.066 19667 90 1 1 . 1 1 18 18 MET HA H 18 4.860 4.860 4.595 0.265 19667 91 1 1 . 1 1 18 18 MET C C 18 175.360 175.360 175.522 -0.162 19667 92 1 1 . 1 1 18 18 MET CA C 18 54.440 54.440 56.244 -1.804 19667 93 1 1 . 1 1 18 18 MET CB C 18 32.720 32.720 33.821 -1.101 19667 94 1 1 . 1 1 18 18 MET H H 18 9.070 9.070 9.159 -0.089 19667 95 1 1 . 1 1 19 19 ASP N N 19 118.000 118.000 118.772 -0.772 19667 96 1 1 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.797 0.203 19667 97 1 1 . 1 1 19 19 ASP C C 19 174.380 174.380 175.778 -1.398 19667 98 1 1 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.372 -0.092 19667 99 1 1 . 1 1 19 19 ASP CB C 19 46.230 46.230 43.255 2.975 19667 100 1 1 . 1 1 19 19 ASP H H 19 7.380 7.380 7.611 -0.231 19667 101 1 1 . 1 1 20 20 GLY N N 20 107.900 107.900 110.250 -2.350 19667 102 1 1 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.609 0.661 19667 103 1 1 . 1 1 20 20 GLY H H 20 8.280 8.280 8.013 0.267 19667 104 1 1 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.328 -0.158 19667 105 1 1 . 1 1 21 21 PRO C C 21 177.580 177.580 176.188 1.392 19667 106 1 1 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.508 -0.108 19667 107 1 1 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.652 0.018 19667 108 1 1 . 1 1 22 22 PHE N N 22 116.800 116.800 117.210 -0.410 19667 109 1 1 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.614 0.106 19667 110 1 1 . 1 1 22 22 PHE C C 22 173.130 173.130 175.322 -2.192 19667 111 1 1 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.289 -0.149 19667 112 1 1 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.263 -1.313 19667 113 1 1 . 1 1 22 22 PHE H H 22 8.870 8.870 7.696 1.174 19667 114 1 1 . 1 1 23 23 ALA N N 23 120.160 120.160 122.418 -2.258 19667 115 1 1 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.098 -0.508 19667 116 1 1 . 1 1 23 23 ALA C C 23 178.830 178.830 177.495 1.335 19667 117 1 1 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.167 0.403 19667 118 1 1 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.897 -0.427 19667 119 1 1 . 1 1 23 23 ALA H H 23 7.410 7.410 7.313 0.097 19667 120 1 1 . 1 1 24 24 THR N N 24 114.390 114.390 113.086 1.304 19667 121 1 1 . 1 1 24 24 THR HA H 24 4.060 4.060 3.883 0.177 19667 122 1 1 . 1 1 24 24 THR C C 24 173.550 173.550 173.471 0.079 19667 123 1 1 . 1 1 24 24 THR CA C 24 65.800 65.800 63.586 2.214 19667 124 1 1 . 1 1 24 24 THR CB C 24 69.240 69.240 66.898 2.342 19667 125 1 1 . 1 1 24 24 THR H H 24 9.140 9.140 8.821 0.319 19667 126 1 1 . 1 1 25 25 LEU N N 25 124.680 124.680 119.209 5.471 19667 127 1 1 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.865 -0.115 19667 128 1 1 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.844 1.786 19667 129 1 1 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.791 -5.481 19667 130 1 1 . 1 1 25 25 LEU H H 25 8.090 8.090 7.582 0.508 19667 131 1 1 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.485 0.665 19667 132 1 1 . 1 1 26 26 PRO C C 26 176.040 176.040 175.406 0.634 19667 133 1 1 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.843 -0.913 19667 134 1 1 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.556 0.834 19667 135 1 1 . 1 1 27 27 ALA N N 27 121.180 121.180 125.853 -4.673 19667 136 1 1 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.803 0.217 19667 137 1 1 . 1 1 27 27 ALA C C 27 176.000 176.000 175.509 0.491 19667 138 1 1 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.883 -0.283 19667 139 1 1 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.177 0.943 19667 140 1 1 . 1 1 27 27 ALA H H 27 8.970 8.970 8.769 0.201 19667 141 1 1 . 1 1 28 28 THR N N 28 113.950 113.950 116.931 -2.981 19667 142 1 1 . 1 1 28 28 THR HA H 28 5.060 5.060 5.016 0.044 19667 143 1 1 . 1 1 28 28 THR C C 28 174.890 174.890 174.137 0.753 19667 144 1 1 . 1 1 28 28 THR CA C 28 60.810 60.810 61.634 -0.824 19667 145 1 1 . 1 1 28 28 THR CB C 28 71.020 71.020 70.661 0.359 19667 146 1 1 . 1 1 28 28 THR H H 28 7.960 7.960 8.435 -0.475 19667 147 1 1 . 1 1 29 29 ILE N N 29 125.420 125.420 128.839 -3.419 19667 148 1 1 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.038 -0.078 19667 149 1 1 . 1 1 29 29 ILE C C 29 176.190 176.190 175.700 0.490 19667 150 1 1 . 1 1 29 29 ILE CA C 29 63.890 63.890 63.073 0.817 19667 151 1 1 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.268 0.502 19667 152 1 1 . 1 1 29 29 ILE H H 29 8.940 8.940 8.733 0.207 19667 153 1 1 . 1 1 30 30 SER N N 30 126.420 126.420 123.275 3.145 19667 154 1 1 . 1 1 30 30 SER HA H 30 4.720 4.720 4.489 0.231 19667 155 1 1 . 1 1 30 30 SER C C 30 173.780 173.780 174.281 -0.501 19667 156 1 1 . 1 1 30 30 SER CA C 30 59.130 59.130 58.437 0.693 19667 157 1 1 . 1 1 30 30 SER CB C 30 64.890 64.890 64.411 0.479 19667 158 1 1 . 1 1 30 30 SER H H 30 9.750 9.750 8.461 1.289 19667 159 1 1 . 1 1 31 31 GLU N N 31 120.570 120.570 119.961 0.609 19667 160 1 1 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.586 -0.076 19667 161 1 1 . 1 1 31 31 GLU C C 31 173.520 173.520 173.818 -0.298 19667 162 1 1 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.440 1.090 19667 163 1 1 . 1 1 31 31 GLU CB C 31 34.550 34.550 33.503 1.047 19667 164 1 1 . 1 1 31 31 GLU H H 31 7.980 7.980 7.690 0.290 19667 165 1 1 . 1 1 32 32 VAL N N 32 123.360 123.360 121.628 1.732 19667 166 1 1 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.180 0.180 19667 167 1 1 . 1 1 32 32 VAL C C 32 174.100 174.100 173.967 0.133 19667 168 1 1 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.214 1.776 19667 169 1 1 . 1 1 32 32 VAL CB C 32 34.960 34.960 34.470 0.490 19667 170 1 1 . 1 1 32 32 VAL H H 32 8.920 8.920 8.428 0.492 19667 171 1 1 . 1 1 33 33 ASN N N 33 126.240 126.240 126.379 -0.139 19667 172 1 1 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.050 0.050 19667 173 1 1 . 1 1 33 33 ASN C C 33 174.950 174.950 174.820 0.130 19667 174 1 1 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.767 -0.377 19667 175 1 1 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.622 -0.112 19667 176 1 1 . 1 1 33 33 ASN H H 33 8.880 8.880 9.066 -0.186 19667 177 1 1 . 1 1 34 34 ALA N N 34 126.960 126.960 127.615 -0.655 19667 178 1 1 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.482 -0.352 19667 179 1 1 . 1 1 34 34 ALA C C 34 179.800 179.800 180.026 -0.226 19667 180 1 1 . 1 1 34 34 ALA CA C 34 55.630 55.630 55.039 0.591 19667 181 1 1 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.795 -0.155 19667 182 1 1 . 1 1 34 34 ALA H H 34 9.120 9.120 9.017 0.103 19667 183 1 1 . 1 1 35 35 GLU N N 35 118.690 118.690 119.454 -0.764 19667 184 1 1 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.108 -0.048 19667 185 1 1 . 1 1 35 35 GLU C C 35 177.960 177.960 178.043 -0.083 19667 186 1 1 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.834 0.896 19667 187 1 1 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.655 -0.325 19667 188 1 1 . 1 1 35 35 GLU H H 35 8.710 8.710 8.610 0.100 19667 189 1 1 . 1 1 36 36 GLN N N 36 113.480 113.480 115.787 -2.307 19667 190 1 1 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.489 -0.199 19667 191 1 1 . 1 1 36 36 GLN C C 36 173.890 173.890 174.528 -0.638 19667 192 1 1 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.974 -0.254 19667 193 1 1 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.878 0.432 19667 194 1 1 . 1 1 36 36 GLN H H 36 7.240 7.240 7.810 -0.570 19667 195 1 1 . 1 1 37 37 GLN N N 37 116.180 116.180 114.361 1.819 19667 196 1 1 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.317 -2.177 19667 197 1 1 . 1 1 37 37 GLN C C 37 174.570 174.570 175.054 -0.484 19667 198 1 1 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.264 -0.654 19667 199 1 1 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.267 -0.527 19667 200 1 1 . 1 1 37 37 GLN H H 37 7.550 7.550 7.841 -0.291 19667 201 1 1 . 1 1 38 38 LYS N N 38 116.330 116.330 116.958 -0.628 19667 202 1 1 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.475 0.535 19667 203 1 1 . 1 1 38 38 LYS C C 38 173.820 173.820 173.569 0.251 19667 204 1 1 . 1 1 38 38 LYS CA C 38 54.830 54.830 54.901 -0.071 19667 205 1 1 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.628 1.172 19667 206 1 1 . 1 1 38 38 LYS H H 38 7.790 7.790 8.312 -0.522 19667 207 1 1 . 1 1 39 39 LEU N N 39 120.450 120.450 121.601 -1.151 19667 208 1 1 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.364 0.676 19667 209 1 1 . 1 1 39 39 LEU C C 39 175.870 175.870 173.811 2.059 19667 210 1 1 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.511 -0.291 19667 211 1 1 . 1 1 39 39 LEU CB C 39 46.580 46.580 45.895 0.685 19667 212 1 1 . 1 1 39 39 LEU H H 39 9.340 9.340 8.937 0.403 19667 213 1 1 . 1 1 40 40 LYS N N 40 120.660 120.660 123.671 -3.011 19667 214 1 1 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.697 0.423 19667 215 1 1 . 1 1 40 40 LYS C C 40 176.120 176.120 174.819 1.301 19667 216 1 1 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.621 1.199 19667 217 1 1 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.791 -1.411 19667 218 1 1 . 1 1 40 40 LYS H H 40 8.590 8.590 8.949 -0.359 19667 219 1 1 . 1 1 41 41 VAL N N 41 117.680 117.680 120.716 -3.036 19667 220 1 1 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.831 0.419 19667 221 1 1 . 1 1 41 41 VAL C C 41 173.490 173.490 173.443 0.047 19667 222 1 1 . 1 1 41 41 VAL CA C 41 57.650 57.650 60.182 -2.532 19667 223 1 1 . 1 1 41 41 VAL CB C 41 34.540 34.540 34.806 -0.265 19667 224 1 1 . 1 1 41 41 VAL H H 41 9.160 9.160 8.991 0.169 19667 225 1 1 . 1 1 42 42 LEU N N 42 120.900 120.900 126.752 -5.852 19667 226 1 1 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.530 0.300 19667 227 1 1 . 1 1 42 42 LEU C C 42 176.810 176.810 174.564 2.246 19667 228 1 1 . 1 1 42 42 LEU CA C 42 53.340 53.340 54.068 -0.728 19667 229 1 1 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.238 -0.948 19667 230 1 1 . 1 1 42 42 LEU H H 42 8.970 8.970 8.761 0.209 19667 231 1 1 . 1 1 43 43 VAL N N 43 124.360 124.360 124.488 -0.128 19667 232 1 1 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.255 0.115 19667 233 1 1 . 1 1 43 43 VAL C C 43 174.820 174.820 174.160 0.660 19667 234 1 1 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.977 0.473 19667 235 1 1 . 1 1 43 43 VAL CB C 43 34.000 34.000 33.780 0.220 19667 236 1 1 . 1 1 43 43 VAL H H 43 8.670 8.670 7.797 0.873 19667 237 1 1 . 1 1 44 44 SER N N 44 121.390 121.390 123.106 -1.716 19667 238 1 1 . 1 1 44 44 SER HA H 44 4.770 4.770 4.715 0.055 19667 239 1 1 . 1 1 44 44 SER C C 44 173.610 173.610 173.182 0.428 19667 240 1 1 . 1 1 44 44 SER CA C 44 57.440 57.440 57.280 0.160 19667 241 1 1 . 1 1 44 44 SER CB C 44 63.070 63.070 63.881 -0.811 19667 242 1 1 . 1 1 44 44 SER H H 44 8.870 8.870 8.526 0.344 19667 243 1 1 . 1 1 45 45 ILE N N 45 126.730 126.730 124.261 2.469 19667 244 1 1 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.094 0.126 19667 245 1 1 . 1 1 45 45 ILE CA C 45 59.970 59.970 59.704 0.266 19667 246 1 1 . 1 1 45 45 ILE CB C 45 39.060 39.060 42.356 -3.296 19667 247 1 1 . 1 1 45 45 ILE H H 45 8.320 8.320 8.304 0.016 19667 248 1 1 . 1 1 46 46 PHE N N 46 125.740 125.740 124.872 0.868 19667 249 1 1 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.403 -0.053 19667 250 1 1 . 1 1 46 46 PHE C C 46 176.020 176.020 176.907 -0.887 19667 251 1 1 . 1 1 46 46 PHE CA C 46 58.510 58.510 58.441 0.069 19667 252 1 1 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.126 -1.056 19667 253 1 1 . 1 1 46 46 PHE H H 46 9.050 9.050 8.042 1.008 19667 254 1 1 . 1 1 47 47 GLY N N 47 104.300 104.300 113.269 -8.969 19667 255 1 1 . 1 1 47 47 GLY C C 47 173.560 173.560 174.620 -1.060 19667 256 1 1 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.782 -0.232 19667 257 1 1 . 1 1 47 47 GLY H H 47 8.340 8.340 8.695 -0.355 19667 258 1 1 . 1 1 48 48 ARG N N 48 120.650 120.650 116.422 4.228 19667 259 1 1 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.349 0.301 19667 260 1 1 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.144 -0.474 19667 261 1 1 . 1 1 48 48 ARG CB C 48 31.910 31.910 31.805 0.105 19667 262 1 1 . 1 1 48 48 ARG H H 48 7.870 7.870 8.327 -0.457 19667 263 1 1 . 1 1 49 49 GLU N N 49 126.100 126.100 120.277 5.823 19667 264 1 1 . 1 1 49 49 GLU HA H 49 4.660 4.660 4.181 0.479 19667 265 1 1 . 1 1 49 49 GLU C C 49 176.320 176.320 176.381 -0.061 19667 266 1 1 . 1 1 49 49 GLU CA C 49 56.740 56.740 57.657 -0.916 19667 267 1 1 . 1 1 49 49 GLU CB C 49 30.290 30.290 29.564 0.726 19667 268 1 1 . 1 1 49 49 GLU H H 49 8.790 8.790 8.198 0.592 19667 269 1 1 . 1 1 50 50 THR N N 50 123.540 123.540 121.498 2.042 19667 270 1 1 . 1 1 50 50 THR HA H 50 4.810 4.810 4.681 0.129 19667 271 1 1 . 1 1 50 50 THR CA C 50 59.920 59.920 59.138 0.782 19667 272 1 1 . 1 1 50 50 THR CB C 50 72.350 72.350 70.301 2.049 19667 273 1 1 . 1 1 50 50 THR H H 50 9.110 9.110 7.951 1.159 19667 274 1 1 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.306 1.024 19667 275 1 1 . 1 1 51 51 PRO C C 51 176.800 176.800 175.459 1.341 19667 276 1 1 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.517 -0.787 19667 277 1 1 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.206 -0.097 19667 278 1 1 . 1 1 52 52 VAL N N 52 123.010 123.010 122.332 0.678 19667 279 1 1 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.453 -0.183 19667 280 1 1 . 1 1 52 52 VAL C C 52 173.750 173.750 173.790 -0.040 19667 281 1 1 . 1 1 52 52 VAL CA C 52 61.380 61.380 59.306 2.074 19667 282 1 1 . 1 1 52 52 VAL CB C 52 35.890 35.890 36.012 -0.122 19667 283 1 1 . 1 1 52 52 VAL H H 52 9.110 9.110 8.463 0.647 19667 284 1 1 . 1 1 53 53 GLU N N 53 126.730 126.730 126.382 0.348 19667 285 1 1 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.420 0.780 19667 286 1 1 . 1 1 53 53 GLU C C 53 174.980 174.980 175.143 -0.163 19667 287 1 1 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.853 -0.353 19667 288 1 1 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.465 -0.056 19667 289 1 1 . 1 1 53 53 GLU H H 53 8.570 8.570 8.530 0.040 19667 290 1 1 . 1 1 54 54 LEU N N 54 126.200 126.200 123.056 3.144 19667 291 1 1 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.832 0.178 19667 292 1 1 . 1 1 54 54 LEU C C 54 175.940 175.940 175.351 0.589 19667 293 1 1 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.571 -0.171 19667 294 1 1 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.634 0.726 19667 295 1 1 . 1 1 54 54 LEU H H 54 8.850 8.850 9.021 -0.171 19667 296 1 1 . 1 1 55 55 THR N N 55 111.050 111.050 111.886 -0.836 19667 297 1 1 . 1 1 55 55 THR HA H 55 5.210 5.210 4.452 0.758 19667 298 1 1 . 1 1 55 55 THR C C 55 176.450 176.450 174.691 1.759 19667 299 1 1 . 1 1 55 55 THR CA C 55 60.760 60.760 59.960 0.800 19667 300 1 1 . 1 1 55 55 THR CB C 55 70.930 70.930 70.837 0.093 19667 301 1 1 . 1 1 55 55 THR H H 55 9.140 9.140 8.668 0.472 19667 302 1 1 . 1 1 56 56 PHE N N 56 119.120 119.120 122.129 -3.009 19667 303 1 1 . 1 1 56 56 PHE HA H 56 4.150 4.150 3.812 0.338 19667 304 1 1 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.605 -2.035 19667 305 1 1 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.755 -0.925 19667 306 1 1 . 1 1 56 56 PHE H H 56 8.100 8.100 7.888 0.212 19667 307 1 1 . 1 1 57 57 GLY N N 57 103.400 103.400 111.930 -8.530 19667 308 1 1 . 1 1 57 57 GLY C C 57 174.880 174.880 175.209 -0.329 19667 309 1 1 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.363 0.437 19667 310 1 1 . 1 1 57 57 GLY H H 57 8.360 8.360 8.567 -0.207 19667 311 1 1 . 1 1 58 58 GLN N N 58 117.080 117.080 119.662 -2.582 19667 312 1 1 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.155 0.235 19667 313 1 1 . 1 1 58 58 GLN C C 58 174.120 174.120 175.029 -0.909 19667 314 1 1 . 1 1 58 58 GLN CA C 58 56.370 56.370 57.141 -0.771 19667 315 1 1 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.338 2.702 19667 316 1 1 . 1 1 58 58 GLN H H 58 7.790 7.790 8.153 -0.363 19667 317 1 1 . 1 1 59 59 VAL N N 59 110.280 110.280 109.785 0.495 19667 318 1 1 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.379 -0.129 19667 319 1 1 . 1 1 59 59 VAL C C 59 173.600 173.600 174.076 -0.476 19667 320 1 1 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.623 0.197 19667 321 1 1 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.181 0.809 19667 322 1 1 . 1 1 59 59 VAL H H 59 7.350 7.350 7.199 0.151 19667 323 1 1 . 1 1 60 60 SER N N 60 112.630 112.630 117.790 -5.160 19667 324 1 1 . 1 1 60 60 SER HA H 60 4.910 4.910 4.852 0.058 19667 325 1 1 . 1 1 60 60 SER C C 60 173.830 173.830 174.273 -0.443 19667 326 1 1 . 1 1 60 60 SER CA C 60 56.860 56.860 56.775 0.085 19667 327 1 1 . 1 1 60 60 SER CB C 60 66.280 66.280 64.860 1.420 19667 328 1 1 . 1 1 60 60 SER H H 60 8.510 8.510 8.439 0.071 19667 329 1 1 . 1 1 61 61 LYS N N 61 124.640 124.640 127.032 -2.392 19667 330 1 1 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.409 0.201 19667 331 1 1 . 1 1 61 61 LYS C C 61 176.290 176.290 176.709 -0.419 19667 332 1 1 . 1 1 61 61 LYS CA C 61 57.470 57.470 57.127 0.343 19667 333 1 1 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.277 0.283 19667 334 1 1 . 1 1 61 61 LYS H H 61 8.720 8.720 8.660 0.060 19667 335 1 2 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.221 0.449 19667 336 1 2 . 1 1 2 2 ARG CA C 2 54.250 54.250 57.765 -3.515 19667 337 1 2 . 1 1 2 2 ARG CB C 2 30.250 30.250 29.301 0.949 19667 338 1 2 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.441 0.049 19667 339 1 2 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.881 0.289 19667 340 1 2 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.209 -0.089 19667 341 1 2 . 1 1 4 4 VAL N N 4 121.160 121.160 116.624 4.536 19667 342 1 2 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.453 -0.373 19667 343 1 2 . 1 1 4 4 VAL C C 4 175.940 175.940 174.959 0.981 19667 344 1 2 . 1 1 4 4 VAL CA C 4 62.730 62.730 62.279 0.451 19667 345 1 2 . 1 1 4 4 VAL CB C 4 32.740 32.740 31.817 0.923 19667 346 1 2 . 1 1 4 4 VAL H H 4 8.310 8.310 7.975 0.335 19667 347 1 2 . 1 1 5 5 VAL N N 5 123.660 123.660 120.106 3.554 19667 348 1 2 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.407 -0.207 19667 349 1 2 . 1 1 5 5 VAL C C 5 175.520 175.520 175.293 0.227 19667 350 1 2 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.635 0.305 19667 351 1 2 . 1 1 5 5 VAL CB C 5 33.130 33.130 35.544 -2.414 19667 352 1 2 . 1 1 5 5 VAL H H 5 8.160 8.160 7.953 0.207 19667 353 1 2 . 1 1 6 6 GLU N N 6 125.610 125.610 123.193 2.417 19667 354 1 2 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.349 -0.019 19667 355 1 2 . 1 1 6 6 GLU C C 6 175.520 175.520 175.390 0.130 19667 356 1 2 . 1 1 6 6 GLU CA C 6 56.560 56.560 56.544 0.016 19667 357 1 2 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.306 -0.146 19667 358 1 2 . 1 1 6 6 GLU H H 6 8.530 8.530 8.319 0.211 19667 359 1 2 . 1 1 7 7 VAL N N 7 119.540 119.540 123.002 -3.462 19667 360 1 2 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.190 -0.020 19667 361 1 2 . 1 1 7 7 VAL C C 7 174.070 174.070 174.860 -0.790 19667 362 1 2 . 1 1 7 7 VAL CA C 7 61.230 61.230 61.716 -0.486 19667 363 1 2 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.903 0.727 19667 364 1 2 . 1 1 7 7 VAL H H 7 8.030 8.030 8.269 -0.239 19667 365 1 2 . 1 1 8 8 ASP N N 8 123.880 123.880 124.648 -0.768 19667 366 1 2 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.682 -0.052 19667 367 1 2 . 1 1 8 8 ASP C C 8 174.090 174.090 174.308 -0.218 19667 368 1 2 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.676 0.914 19667 369 1 2 . 1 1 8 8 ASP CB C 8 42.410 42.410 43.785 -1.375 19667 370 1 2 . 1 1 8 8 ASP H H 8 8.040 8.040 8.066 -0.026 19667 371 1 2 . 1 1 9 9 TYR N N 9 118.630 118.630 118.641 -0.011 19667 372 1 2 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.689 0.081 19667 373 1 2 . 1 1 9 9 TYR C C 9 174.260 174.260 176.085 -1.825 19667 374 1 2 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.613 -0.293 19667 375 1 2 . 1 1 9 9 TYR CB C 9 42.770 42.770 41.151 1.619 19667 376 1 2 . 1 1 9 9 TYR H H 9 7.760 7.760 8.643 -0.883 19667 377 1 2 . 1 1 10 10 GLU N N 10 119.600 119.600 119.652 -0.052 19667 378 1 2 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.640 0.050 19667 379 1 2 . 1 1 10 10 GLU C C 10 175.220 175.220 175.371 -0.151 19667 380 1 2 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.884 -1.004 19667 381 1 2 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.281 -2.551 19667 382 1 2 . 1 1 10 10 GLU H H 10 8.710 8.710 8.864 -0.154 19667 383 1 2 . 1 1 11 11 VAL N N 11 121.500 121.500 120.136 1.364 19667 384 1 2 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.826 -0.606 19667 385 1 2 . 1 1 11 11 VAL C C 11 177.320 177.320 177.543 -0.223 19667 386 1 2 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.222 2.528 19667 387 1 2 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.507 -0.007 19667 388 1 2 . 1 1 11 11 VAL H H 11 8.600 8.600 8.614 -0.014 19667 389 1 2 . 1 1 12 12 GLY N N 12 115.830 115.830 115.513 0.317 19667 390 1 2 . 1 1 12 12 GLY C C 12 173.830 173.830 174.447 -0.617 19667 391 1 2 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.892 -0.182 19667 392 1 2 . 1 1 12 12 GLY H H 12 8.990 8.990 8.573 0.417 19667 393 1 2 . 1 1 13 13 GLU N N 13 121.780 121.780 121.168 0.612 19667 394 1 2 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.400 -0.060 19667 395 1 2 . 1 1 13 13 GLU C C 13 175.460 175.460 175.380 0.080 19667 396 1 2 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.941 1.019 19667 397 1 2 . 1 1 13 13 GLU CB C 13 31.710 31.710 30.715 0.995 19667 398 1 2 . 1 1 13 13 GLU H H 13 7.760 7.760 7.787 -0.027 19667 399 1 2 . 1 1 14 14 SER N N 14 119.230 119.230 115.591 3.639 19667 400 1 2 . 1 1 14 14 SER HA H 14 5.350 5.350 5.158 0.192 19667 401 1 2 . 1 1 14 14 SER C C 14 173.600 173.600 173.761 -0.161 19667 402 1 2 . 1 1 14 14 SER CA C 14 58.280 58.280 57.622 0.658 19667 403 1 2 . 1 1 14 14 SER CB C 14 64.350 64.350 64.261 0.089 19667 404 1 2 . 1 1 14 14 SER H H 14 8.650 8.650 8.389 0.261 19667 405 1 2 . 1 1 15 15 VAL N N 15 116.180 116.180 119.820 -3.640 19667 406 1 2 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.825 0.185 19667 407 1 2 . 1 1 15 15 VAL C C 15 174.220 174.220 174.438 -0.218 19667 408 1 2 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.749 -0.939 19667 409 1 2 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.069 1.611 19667 410 1 2 . 1 1 15 15 VAL H H 15 8.920 8.920 9.021 -0.101 19667 411 1 2 . 1 1 16 16 THR N N 16 116.710 116.710 118.315 -1.605 19667 412 1 2 . 1 1 16 16 THR HA H 16 4.700 4.700 4.872 -0.172 19667 413 1 2 . 1 1 16 16 THR C C 16 174.300 174.300 175.089 -0.789 19667 414 1 2 . 1 1 16 16 THR CA C 16 61.850 61.850 61.109 0.741 19667 415 1 2 . 1 1 16 16 THR CB C 16 70.070 70.070 69.727 0.343 19667 416 1 2 . 1 1 16 16 THR H H 16 8.890 8.890 8.572 0.318 19667 417 1 2 . 1 1 17 17 VAL N N 17 127.930 127.930 127.388 0.542 19667 418 1 2 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.739 0.111 19667 419 1 2 . 1 1 17 17 VAL C C 17 176.880 176.880 176.125 0.755 19667 420 1 2 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.756 -0.206 19667 421 1 2 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.596 -0.906 19667 422 1 2 . 1 1 17 17 VAL H H 17 8.820 8.820 9.072 -0.252 19667 423 1 2 . 1 1 18 18 MET N N 18 124.420 124.420 125.303 -0.883 19667 424 1 2 . 1 1 18 18 MET HA H 18 4.860 4.860 4.685 0.175 19667 425 1 2 . 1 1 18 18 MET C C 18 175.360 175.360 175.921 -0.561 19667 426 1 2 . 1 1 18 18 MET CA C 18 54.440 54.440 53.947 0.492 19667 427 1 2 . 1 1 18 18 MET CB C 18 32.720 32.720 32.970 -0.250 19667 428 1 2 . 1 1 18 18 MET H H 18 9.070 9.070 9.218 -0.148 19667 429 1 2 . 1 1 19 19 ASP N N 19 118.000 118.000 118.375 -0.375 19667 430 1 2 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.739 0.261 19667 431 1 2 . 1 1 19 19 ASP C C 19 174.380 174.380 175.566 -1.186 19667 432 1 2 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.452 -0.172 19667 433 1 2 . 1 1 19 19 ASP CB C 19 46.230 46.230 43.327 2.903 19667 434 1 2 . 1 1 19 19 ASP H H 19 7.380 7.380 7.678 -0.298 19667 435 1 2 . 1 1 20 20 GLY N N 20 107.900 107.900 110.293 -2.393 19667 436 1 2 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.601 0.669 19667 437 1 2 . 1 1 20 20 GLY H H 20 8.280 8.280 8.067 0.213 19667 438 1 2 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.363 -0.193 19667 439 1 2 . 1 1 21 21 PRO C C 21 177.580 177.580 176.292 1.288 19667 440 1 2 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.612 -0.212 19667 441 1 2 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.767 -0.097 19667 442 1 2 . 1 1 22 22 PHE N N 22 116.800 116.800 117.158 -0.358 19667 443 1 2 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.623 0.097 19667 444 1 2 . 1 1 22 22 PHE C C 22 173.130 173.130 175.283 -2.153 19667 445 1 2 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.545 -0.405 19667 446 1 2 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.398 -1.448 19667 447 1 2 . 1 1 22 22 PHE H H 22 8.870 8.870 7.846 1.024 19667 448 1 2 . 1 1 23 23 ALA N N 23 120.160 120.160 122.161 -2.001 19667 449 1 2 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.086 -0.496 19667 450 1 2 . 1 1 23 23 ALA C C 23 178.830 178.830 177.594 1.236 19667 451 1 2 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.070 0.500 19667 452 1 2 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.890 -0.420 19667 453 1 2 . 1 1 23 23 ALA H H 23 7.410 7.410 7.332 0.078 19667 454 1 2 . 1 1 24 24 THR N N 24 114.390 114.390 113.240 1.150 19667 455 1 2 . 1 1 24 24 THR HA H 24 4.060 4.060 3.807 0.253 19667 456 1 2 . 1 1 24 24 THR C C 24 173.550 173.550 173.491 0.059 19667 457 1 2 . 1 1 24 24 THR CA C 24 65.800 65.800 63.077 2.723 19667 458 1 2 . 1 1 24 24 THR CB C 24 69.240 69.240 67.300 1.940 19667 459 1 2 . 1 1 24 24 THR H H 24 9.140 9.140 8.915 0.225 19667 460 1 2 . 1 1 25 25 LEU N N 25 124.680 124.680 119.342 5.338 19667 461 1 2 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.911 -0.161 19667 462 1 2 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.685 1.945 19667 463 1 2 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.785 -5.475 19667 464 1 2 . 1 1 25 25 LEU H H 25 8.090 8.090 7.574 0.516 19667 465 1 2 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.500 0.650 19667 466 1 2 . 1 1 26 26 PRO C C 26 176.040 176.040 175.601 0.439 19667 467 1 2 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.736 -0.806 19667 468 1 2 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.650 0.740 19667 469 1 2 . 1 1 27 27 ALA N N 27 121.180 121.180 125.466 -4.286 19667 470 1 2 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.755 0.265 19667 471 1 2 . 1 1 27 27 ALA C C 27 176.000 176.000 175.388 0.612 19667 472 1 2 . 1 1 27 27 ALA CA C 27 50.600 50.600 51.038 -0.439 19667 473 1 2 . 1 1 27 27 ALA CB C 27 24.120 24.120 22.942 1.178 19667 474 1 2 . 1 1 27 27 ALA H H 27 8.970 8.970 8.640 0.330 19667 475 1 2 . 1 1 28 28 THR N N 28 113.950 113.950 116.731 -2.781 19667 476 1 2 . 1 1 28 28 THR HA H 28 5.060 5.060 4.941 0.119 19667 477 1 2 . 1 1 28 28 THR C C 28 174.890 174.890 174.119 0.771 19667 478 1 2 . 1 1 28 28 THR CA C 28 60.810 60.810 61.316 -0.506 19667 479 1 2 . 1 1 28 28 THR CB C 28 71.020 71.020 70.809 0.211 19667 480 1 2 . 1 1 28 28 THR H H 28 7.960 7.960 8.309 -0.349 19667 481 1 2 . 1 1 29 29 ILE N N 29 125.420 125.420 129.230 -3.810 19667 482 1 2 . 1 1 29 29 ILE HA H 29 3.960 3.960 3.994 -0.034 19667 483 1 2 . 1 1 29 29 ILE C C 29 176.190 176.190 175.966 0.224 19667 484 1 2 . 1 1 29 29 ILE CA C 29 63.890 63.890 63.075 0.815 19667 485 1 2 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.153 0.617 19667 486 1 2 . 1 1 29 29 ILE H H 29 8.940 8.940 8.505 0.435 19667 487 1 2 . 1 1 30 30 SER N N 30 126.420 126.420 124.809 1.611 19667 488 1 2 . 1 1 30 30 SER HA H 30 4.720 4.720 4.597 0.123 19667 489 1 2 . 1 1 30 30 SER C C 30 173.780 173.780 174.009 -0.229 19667 490 1 2 . 1 1 30 30 SER CA C 30 59.130 59.130 59.400 -0.270 19667 491 1 2 . 1 1 30 30 SER CB C 30 64.890 64.890 64.438 0.452 19667 492 1 2 . 1 1 30 30 SER H H 30 9.750 9.750 8.432 1.318 19667 493 1 2 . 1 1 31 31 GLU N N 31 120.570 120.570 119.493 1.077 19667 494 1 2 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.555 -0.045 19667 495 1 2 . 1 1 31 31 GLU C C 31 173.520 173.520 174.050 -0.530 19667 496 1 2 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.975 0.555 19667 497 1 2 . 1 1 31 31 GLU CB C 31 34.550 34.550 34.464 0.086 19667 498 1 2 . 1 1 31 31 GLU H H 31 7.980 7.980 7.711 0.269 19667 499 1 2 . 1 1 32 32 VAL N N 32 123.360 123.360 120.972 2.388 19667 500 1 2 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.238 0.122 19667 501 1 2 . 1 1 32 32 VAL C C 32 174.100 174.100 173.849 0.251 19667 502 1 2 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.394 1.596 19667 503 1 2 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.018 -0.058 19667 504 1 2 . 1 1 32 32 VAL H H 32 8.920 8.920 8.350 0.570 19667 505 1 2 . 1 1 33 33 ASN N N 33 126.240 126.240 126.311 -0.071 19667 506 1 2 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.049 0.051 19667 507 1 2 . 1 1 33 33 ASN C C 33 174.950 174.950 174.863 0.087 19667 508 1 2 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.586 -0.196 19667 509 1 2 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.358 0.152 19667 510 1 2 . 1 1 33 33 ASN H H 33 8.880 8.880 9.153 -0.273 19667 511 1 2 . 1 1 34 34 ALA N N 34 126.960 126.960 127.583 -0.623 19667 512 1 2 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.355 -0.225 19667 513 1 2 . 1 1 34 34 ALA C C 34 179.800 179.800 179.619 0.181 19667 514 1 2 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.672 0.958 19667 515 1 2 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.779 -0.139 19667 516 1 2 . 1 1 34 34 ALA H H 34 9.120 9.120 8.990 0.130 19667 517 1 2 . 1 1 35 35 GLU N N 35 118.690 118.690 119.606 -0.916 19667 518 1 2 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.114 -0.054 19667 519 1 2 . 1 1 35 35 GLU C C 35 177.960 177.960 177.951 0.009 19667 520 1 2 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.761 0.969 19667 521 1 2 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.738 -0.408 19667 522 1 2 . 1 1 35 35 GLU H H 35 8.710 8.710 8.340 0.370 19667 523 1 2 . 1 1 36 36 GLN N N 36 113.480 113.480 115.766 -2.286 19667 524 1 2 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.488 -0.198 19667 525 1 2 . 1 1 36 36 GLN C C 36 173.890 173.890 174.467 -0.577 19667 526 1 2 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.969 -0.249 19667 527 1 2 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.665 0.645 19667 528 1 2 . 1 1 36 36 GLN H H 36 7.240 7.240 7.851 -0.612 19667 529 1 2 . 1 1 37 37 GLN N N 37 116.180 116.180 114.437 1.743 19667 530 1 2 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.269 -2.129 19667 531 1 2 . 1 1 37 37 GLN C C 37 174.570 174.570 175.140 -0.570 19667 532 1 2 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.255 -0.645 19667 533 1 2 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.287 -0.547 19667 534 1 2 . 1 1 37 37 GLN H H 37 7.550 7.550 7.716 -0.166 19667 535 1 2 . 1 1 38 38 LYS N N 38 116.330 116.330 116.908 -0.578 19667 536 1 2 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.499 0.511 19667 537 1 2 . 1 1 38 38 LYS C C 38 173.820 173.820 173.546 0.274 19667 538 1 2 . 1 1 38 38 LYS CA C 38 54.830 54.830 54.920 -0.090 19667 539 1 2 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.925 0.875 19667 540 1 2 . 1 1 38 38 LYS H H 38 7.790 7.790 8.327 -0.537 19667 541 1 2 . 1 1 39 39 LEU N N 39 120.450 120.450 121.415 -0.965 19667 542 1 2 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.392 0.648 19667 543 1 2 . 1 1 39 39 LEU C C 39 175.870 175.870 173.843 2.027 19667 544 1 2 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.496 -0.276 19667 545 1 2 . 1 1 39 39 LEU CB C 39 46.580 46.580 46.013 0.567 19667 546 1 2 . 1 1 39 39 LEU H H 39 9.340 9.340 8.848 0.492 19667 547 1 2 . 1 1 40 40 LYS N N 40 120.660 120.660 123.133 -2.473 19667 548 1 2 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.744 0.376 19667 549 1 2 . 1 1 40 40 LYS C C 40 176.120 176.120 174.707 1.413 19667 550 1 2 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.740 1.080 19667 551 1 2 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.773 -1.393 19667 552 1 2 . 1 1 40 40 LYS H H 40 8.590 8.590 9.015 -0.425 19667 553 1 2 . 1 1 41 41 VAL N N 41 117.680 117.680 121.755 -4.075 19667 554 1 2 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.964 0.286 19667 555 1 2 . 1 1 41 41 VAL C C 41 173.490 173.490 172.902 0.588 19667 556 1 2 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.240 -1.591 19667 557 1 2 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.078 -0.538 19667 558 1 2 . 1 1 41 41 VAL H H 41 9.160 9.160 9.091 0.069 19667 559 1 2 . 1 1 42 42 LEU N N 42 120.900 120.900 125.302 -4.402 19667 560 1 2 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.658 0.172 19667 561 1 2 . 1 1 42 42 LEU C C 42 176.810 176.810 174.372 2.438 19667 562 1 2 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.309 0.031 19667 563 1 2 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.892 -1.601 19667 564 1 2 . 1 1 42 42 LEU H H 42 8.970 8.970 8.867 0.103 19667 565 1 2 . 1 1 43 43 VAL N N 43 124.360 124.360 124.163 0.197 19667 566 1 2 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.331 0.039 19667 567 1 2 . 1 1 43 43 VAL C C 43 174.820 174.820 174.336 0.484 19667 568 1 2 . 1 1 43 43 VAL CA C 43 60.450 60.450 60.782 -0.332 19667 569 1 2 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.865 -0.865 19667 570 1 2 . 1 1 43 43 VAL H H 43 8.670 8.670 7.754 0.916 19667 571 1 2 . 1 1 44 44 SER N N 44 121.390 121.390 122.021 -0.631 19667 572 1 2 . 1 1 44 44 SER HA H 44 4.770 4.770 4.563 0.207 19667 573 1 2 . 1 1 44 44 SER C C 44 173.610 173.610 173.343 0.267 19667 574 1 2 . 1 1 44 44 SER CA C 44 57.440 57.440 57.596 -0.156 19667 575 1 2 . 1 1 44 44 SER CB C 44 63.070 63.070 63.711 -0.641 19667 576 1 2 . 1 1 44 44 SER H H 44 8.870 8.870 8.392 0.478 19667 577 1 2 . 1 1 45 45 ILE N N 45 126.730 126.730 125.736 0.994 19667 578 1 2 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.258 -0.038 19667 579 1 2 . 1 1 45 45 ILE CA C 45 59.970 59.970 58.569 1.401 19667 580 1 2 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.711 -1.651 19667 581 1 2 . 1 1 45 45 ILE H H 45 8.320 8.320 9.095 -0.775 19667 582 1 2 . 1 1 46 46 PHE N N 46 125.740 125.740 123.793 1.947 19667 583 1 2 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.206 0.144 19667 584 1 2 . 1 1 46 46 PHE C C 46 176.020 176.020 176.619 -0.599 19667 585 1 2 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.728 -1.218 19667 586 1 2 . 1 1 46 46 PHE CB C 46 37.070 37.070 37.991 -0.921 19667 587 1 2 . 1 1 46 46 PHE H H 46 9.050 9.050 8.512 0.537 19667 588 1 2 . 1 1 47 47 GLY N N 47 104.300 104.300 112.746 -8.446 19667 589 1 2 . 1 1 47 47 GLY C C 47 173.560 173.560 173.768 -0.208 19667 590 1 2 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.140 0.410 19667 591 1 2 . 1 1 47 47 GLY H H 47 8.340 8.340 8.791 -0.451 19667 592 1 2 . 1 1 48 48 ARG N N 48 120.650 120.650 118.241 2.409 19667 593 1 2 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.421 0.229 19667 594 1 2 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.448 -0.778 19667 595 1 2 . 1 1 48 48 ARG CB C 48 31.910 31.910 34.249 -2.339 19667 596 1 2 . 1 1 48 48 ARG H H 48 7.870 7.870 8.672 -0.802 19667 597 1 2 . 1 1 49 49 GLU N N 49 126.100 126.100 125.595 0.505 19667 598 1 2 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.176 -0.516 19667 599 1 2 . 1 1 49 49 GLU C C 49 176.320 176.320 175.978 0.342 19667 600 1 2 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.359 1.381 19667 601 1 2 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.312 -2.022 19667 602 1 2 . 1 1 49 49 GLU H H 49 8.790 8.790 8.649 0.141 19667 603 1 2 . 1 1 50 50 THR N N 50 123.540 123.540 121.277 2.263 19667 604 1 2 . 1 1 50 50 THR HA H 50 4.810 4.810 4.701 0.109 19667 605 1 2 . 1 1 50 50 THR CA C 50 59.920 59.920 59.317 0.603 19667 606 1 2 . 1 1 50 50 THR CB C 50 72.350 72.350 69.783 2.567 19667 607 1 2 . 1 1 50 50 THR H H 50 9.110 9.110 8.162 0.948 19667 608 1 2 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.300 1.030 19667 609 1 2 . 1 1 51 51 PRO C C 51 176.800 176.800 175.562 1.238 19667 610 1 2 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.476 -0.746 19667 611 1 2 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.306 -0.196 19667 612 1 2 . 1 1 52 52 VAL N N 52 123.010 123.010 122.552 0.458 19667 613 1 2 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.296 -0.026 19667 614 1 2 . 1 1 52 52 VAL C C 52 173.750 173.750 174.296 -0.546 19667 615 1 2 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.514 0.866 19667 616 1 2 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.911 -0.021 19667 617 1 2 . 1 1 52 52 VAL H H 52 9.110 9.110 8.869 0.241 19667 618 1 2 . 1 1 53 53 GLU N N 53 126.730 126.730 126.133 0.597 19667 619 1 2 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.516 0.684 19667 620 1 2 . 1 1 53 53 GLU C C 53 174.980 174.980 174.735 0.245 19667 621 1 2 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.573 -0.073 19667 622 1 2 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.176 0.234 19667 623 1 2 . 1 1 53 53 GLU H H 53 8.570 8.570 8.595 -0.025 19667 624 1 2 . 1 1 54 54 LEU N N 54 126.200 126.200 126.766 -0.566 19667 625 1 2 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.808 0.202 19667 626 1 2 . 1 1 54 54 LEU C C 54 175.940 175.940 175.968 -0.028 19667 627 1 2 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.001 0.399 19667 628 1 2 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.709 0.651 19667 629 1 2 . 1 1 54 54 LEU H H 54 8.850 8.850 8.915 -0.065 19667 630 1 2 . 1 1 55 55 THR N N 55 111.050 111.050 111.635 -0.585 19667 631 1 2 . 1 1 55 55 THR HA H 55 5.210 5.210 4.395 0.815 19667 632 1 2 . 1 1 55 55 THR C C 55 176.450 176.450 174.576 1.874 19667 633 1 2 . 1 1 55 55 THR CA C 55 60.760 60.760 60.058 0.702 19667 634 1 2 . 1 1 55 55 THR CB C 55 70.930 70.930 70.798 0.132 19667 635 1 2 . 1 1 55 55 THR H H 55 9.140 9.140 8.275 0.865 19667 636 1 2 . 1 1 56 56 PHE N N 56 119.120 119.120 121.586 -2.466 19667 637 1 2 . 1 1 56 56 PHE HA H 56 4.150 4.150 3.964 0.186 19667 638 1 2 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.661 -2.091 19667 639 1 2 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.740 -0.910 19667 640 1 2 . 1 1 56 56 PHE H H 56 8.100 8.100 8.015 0.085 19667 641 1 2 . 1 1 57 57 GLY N N 57 103.400 103.400 112.361 -8.961 19667 642 1 2 . 1 1 57 57 GLY C C 57 174.880 174.880 175.135 -0.255 19667 643 1 2 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.307 0.493 19667 644 1 2 . 1 1 57 57 GLY H H 57 8.360 8.360 8.614 -0.254 19667 645 1 2 . 1 1 58 58 GLN N N 58 117.080 117.080 119.702 -2.622 19667 646 1 2 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.214 0.176 19667 647 1 2 . 1 1 58 58 GLN C C 58 174.120 174.120 175.018 -0.898 19667 648 1 2 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.968 -0.598 19667 649 1 2 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.385 2.655 19667 650 1 2 . 1 1 58 58 GLN H H 58 7.790 7.790 8.185 -0.395 19667 651 1 2 . 1 1 59 59 VAL N N 59 110.280 110.280 110.752 -0.472 19667 652 1 2 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.355 -0.105 19667 653 1 2 . 1 1 59 59 VAL C C 59 173.600 173.600 174.211 -0.611 19667 654 1 2 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.647 0.173 19667 655 1 2 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.352 0.638 19667 656 1 2 . 1 1 59 59 VAL H H 59 7.350 7.350 7.224 0.126 19667 657 1 2 . 1 1 60 60 SER N N 60 112.630 112.630 117.845 -5.215 19667 658 1 2 . 1 1 60 60 SER HA H 60 4.910 4.910 4.978 -0.068 19667 659 1 2 . 1 1 60 60 SER C C 60 173.830 173.830 174.345 -0.515 19667 660 1 2 . 1 1 60 60 SER CA C 60 56.860 56.860 55.955 0.905 19667 661 1 2 . 1 1 60 60 SER CB C 60 66.280 66.280 65.415 0.865 19667 662 1 2 . 1 1 60 60 SER H H 60 8.510 8.510 8.490 0.020 19667 663 1 2 . 1 1 61 61 LYS N N 61 124.640 124.640 126.814 -2.174 19667 664 1 2 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.424 0.186 19667 665 1 2 . 1 1 61 61 LYS C C 61 176.290 176.290 176.830 -0.540 19667 666 1 2 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.771 0.699 19667 667 1 2 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.185 0.375 19667 668 1 2 . 1 1 61 61 LYS H H 61 8.720 8.720 8.630 0.090 19667 669 1 3 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.654 0.016 19667 670 1 3 . 1 1 2 2 ARG CA C 2 54.250 54.250 54.726 -0.476 19667 671 1 3 . 1 1 2 2 ARG CB C 2 30.250 30.250 31.002 -0.752 19667 672 1 3 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.478 0.012 19667 673 1 3 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.811 0.359 19667 674 1 3 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.350 -0.230 19667 675 1 3 . 1 1 4 4 VAL N N 4 121.160 121.160 122.611 -1.451 19667 676 1 3 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.356 -0.276 19667 677 1 3 . 1 1 4 4 VAL C C 4 175.940 175.940 175.486 0.454 19667 678 1 3 . 1 1 4 4 VAL CA C 4 62.730 62.730 60.795 1.935 19667 679 1 3 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.934 -2.194 19667 680 1 3 . 1 1 4 4 VAL H H 4 8.310 8.310 8.188 0.122 19667 681 1 3 . 1 1 5 5 VAL N N 5 123.660 123.660 121.745 1.915 19667 682 1 3 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.382 -0.182 19667 683 1 3 . 1 1 5 5 VAL C C 5 175.520 175.520 175.770 -0.250 19667 684 1 3 . 1 1 5 5 VAL CA C 5 61.940 61.940 62.370 -0.430 19667 685 1 3 . 1 1 5 5 VAL CB C 5 33.130 33.130 32.022 1.108 19667 686 1 3 . 1 1 5 5 VAL H H 5 8.160 8.160 8.122 0.038 19667 687 1 3 . 1 1 6 6 GLU N N 6 125.610 125.610 121.778 3.832 19667 688 1 3 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.250 0.080 19667 689 1 3 . 1 1 6 6 GLU C C 6 175.520 175.520 176.006 -0.486 19667 690 1 3 . 1 1 6 6 GLU CA C 6 56.560 56.560 56.039 0.521 19667 691 1 3 . 1 1 6 6 GLU CB C 6 30.160 30.160 31.212 -1.052 19667 692 1 3 . 1 1 6 6 GLU H H 6 8.530 8.530 7.894 0.636 19667 693 1 3 . 1 1 7 7 VAL N N 7 119.540 119.540 121.309 -1.769 19667 694 1 3 . 1 1 7 7 VAL HA H 7 4.170 4.170 3.801 0.369 19667 695 1 3 . 1 1 7 7 VAL C C 7 174.070 174.070 175.040 -0.970 19667 696 1 3 . 1 1 7 7 VAL CA C 7 61.230 61.230 62.658 -1.428 19667 697 1 3 . 1 1 7 7 VAL CB C 7 33.630 33.630 31.326 2.304 19667 698 1 3 . 1 1 7 7 VAL H H 7 8.030 8.030 8.451 -0.421 19667 699 1 3 . 1 1 8 8 ASP N N 8 123.880 123.880 118.913 4.967 19667 700 1 3 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.780 -0.150 19667 701 1 3 . 1 1 8 8 ASP C C 8 174.090 174.090 174.491 -0.401 19667 702 1 3 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.761 0.828 19667 703 1 3 . 1 1 8 8 ASP CB C 8 42.410 42.410 42.419 -0.009 19667 704 1 3 . 1 1 8 8 ASP H H 8 8.040 8.040 7.617 0.423 19667 705 1 3 . 1 1 9 9 TYR N N 9 118.630 118.630 123.005 -4.375 19667 706 1 3 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.599 0.171 19667 707 1 3 . 1 1 9 9 TYR C C 9 174.260 174.260 175.441 -1.181 19667 708 1 3 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.361 -0.041 19667 709 1 3 . 1 1 9 9 TYR CB C 9 42.770 42.770 40.427 2.343 19667 710 1 3 . 1 1 9 9 TYR H H 9 7.760 7.760 8.641 -0.881 19667 711 1 3 . 1 1 10 10 GLU N N 10 119.600 119.600 120.196 -0.596 19667 712 1 3 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.718 -0.028 19667 713 1 3 . 1 1 10 10 GLU C C 10 175.220 175.220 175.629 -0.409 19667 714 1 3 . 1 1 10 10 GLU CA C 10 53.880 53.880 55.118 -1.238 19667 715 1 3 . 1 1 10 10 GLU CB C 10 30.730 30.730 32.248 -1.518 19667 716 1 3 . 1 1 10 10 GLU H H 10 8.710 8.710 8.566 0.144 19667 717 1 3 . 1 1 11 11 VAL N N 11 121.500 121.500 120.961 0.539 19667 718 1 3 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.893 -0.673 19667 719 1 3 . 1 1 11 11 VAL C C 11 177.320 177.320 177.787 -0.467 19667 720 1 3 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.035 2.715 19667 721 1 3 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.283 0.217 19667 722 1 3 . 1 1 11 11 VAL H H 11 8.600 8.600 8.554 0.046 19667 723 1 3 . 1 1 12 12 GLY N N 12 115.830 115.830 116.027 -0.197 19667 724 1 3 . 1 1 12 12 GLY C C 12 173.830 173.830 174.617 -0.787 19667 725 1 3 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.986 -0.276 19667 726 1 3 . 1 1 12 12 GLY H H 12 8.990 8.990 8.614 0.376 19667 727 1 3 . 1 1 13 13 GLU N N 13 121.780 121.780 120.814 0.966 19667 728 1 3 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.506 -0.166 19667 729 1 3 . 1 1 13 13 GLU C C 13 175.460 175.460 175.201 0.259 19667 730 1 3 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.816 1.145 19667 731 1 3 . 1 1 13 13 GLU CB C 13 31.710 31.710 30.794 0.916 19667 732 1 3 . 1 1 13 13 GLU H H 13 7.760 7.760 7.558 0.202 19667 733 1 3 . 1 1 14 14 SER N N 14 119.230 119.230 115.627 3.603 19667 734 1 3 . 1 1 14 14 SER HA H 14 5.350 5.350 5.347 0.003 19667 735 1 3 . 1 1 14 14 SER C C 14 173.600 173.600 173.637 -0.037 19667 736 1 3 . 1 1 14 14 SER CA C 14 58.280 58.280 56.948 1.332 19667 737 1 3 . 1 1 14 14 SER CB C 14 64.350 64.350 64.544 -0.194 19667 738 1 3 . 1 1 14 14 SER H H 14 8.650 8.650 8.480 0.170 19667 739 1 3 . 1 1 15 15 VAL N N 15 116.180 116.180 119.789 -3.609 19667 740 1 3 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.866 0.144 19667 741 1 3 . 1 1 15 15 VAL C C 15 174.220 174.220 174.075 0.145 19667 742 1 3 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.642 -0.832 19667 743 1 3 . 1 1 15 15 VAL CB C 15 36.680 36.680 34.999 1.681 19667 744 1 3 . 1 1 15 15 VAL H H 15 8.920 8.920 9.025 -0.105 19667 745 1 3 . 1 1 16 16 THR N N 16 116.710 116.710 119.410 -2.700 19667 746 1 3 . 1 1 16 16 THR HA H 16 4.700 4.700 4.828 -0.128 19667 747 1 3 . 1 1 16 16 THR C C 16 174.300 174.300 174.746 -0.446 19667 748 1 3 . 1 1 16 16 THR CA C 16 61.850 61.850 62.601 -0.751 19667 749 1 3 . 1 1 16 16 THR CB C 16 70.070 70.070 69.976 0.094 19667 750 1 3 . 1 1 16 16 THR H H 16 8.890 8.890 8.594 0.296 19667 751 1 3 . 1 1 17 17 VAL N N 17 127.930 127.930 126.337 1.593 19667 752 1 3 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.739 0.111 19667 753 1 3 . 1 1 17 17 VAL C C 17 176.880 176.880 175.718 1.162 19667 754 1 3 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.583 -0.033 19667 755 1 3 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.494 -0.804 19667 756 1 3 . 1 1 17 17 VAL H H 17 8.820 8.820 8.887 -0.067 19667 757 1 3 . 1 1 18 18 MET N N 18 124.420 124.420 126.004 -1.584 19667 758 1 3 . 1 1 18 18 MET HA H 18 4.860 4.860 4.571 0.289 19667 759 1 3 . 1 1 18 18 MET C C 18 175.360 175.360 175.646 -0.286 19667 760 1 3 . 1 1 18 18 MET CA C 18 54.440 54.440 56.450 -2.010 19667 761 1 3 . 1 1 18 18 MET CB C 18 32.720 32.720 33.705 -0.985 19667 762 1 3 . 1 1 18 18 MET H H 18 9.070 9.070 9.078 -0.008 19667 763 1 3 . 1 1 19 19 ASP N N 19 118.000 118.000 118.844 -0.844 19667 764 1 3 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.819 0.181 19667 765 1 3 . 1 1 19 19 ASP C C 19 174.380 174.380 175.733 -1.353 19667 766 1 3 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.416 -0.136 19667 767 1 3 . 1 1 19 19 ASP CB C 19 46.230 46.230 43.239 2.991 19667 768 1 3 . 1 1 19 19 ASP H H 19 7.380 7.380 7.604 -0.224 19667 769 1 3 . 1 1 20 20 GLY N N 20 107.900 107.900 110.347 -2.447 19667 770 1 3 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.633 0.637 19667 771 1 3 . 1 1 20 20 GLY H H 20 8.280 8.280 8.036 0.244 19667 772 1 3 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.363 -0.193 19667 773 1 3 . 1 1 21 21 PRO C C 21 177.580 177.580 176.233 1.347 19667 774 1 3 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.439 -0.039 19667 775 1 3 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.683 -0.013 19667 776 1 3 . 1 1 22 22 PHE N N 22 116.800 116.800 117.416 -0.616 19667 777 1 3 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.608 0.112 19667 778 1 3 . 1 1 22 22 PHE C C 22 173.130 173.130 175.400 -2.270 19667 779 1 3 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.438 -0.298 19667 780 1 3 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.225 -1.275 19667 781 1 3 . 1 1 22 22 PHE H H 22 8.870 8.870 7.718 1.152 19667 782 1 3 . 1 1 23 23 ALA N N 23 120.160 120.160 121.626 -1.466 19667 783 1 3 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.138 -0.548 19667 784 1 3 . 1 1 23 23 ALA C C 23 178.830 178.830 178.081 0.749 19667 785 1 3 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.293 0.277 19667 786 1 3 . 1 1 23 23 ALA CB C 23 18.470 18.470 19.063 -0.593 19667 787 1 3 . 1 1 23 23 ALA H H 23 7.410 7.410 7.316 0.094 19667 788 1 3 . 1 1 24 24 THR N N 24 114.390 114.390 113.859 0.531 19667 789 1 3 . 1 1 24 24 THR HA H 24 4.060 4.060 3.848 0.212 19667 790 1 3 . 1 1 24 24 THR C C 24 173.550 173.550 173.324 0.226 19667 791 1 3 . 1 1 24 24 THR CA C 24 65.800 65.800 63.358 2.442 19667 792 1 3 . 1 1 24 24 THR CB C 24 69.240 69.240 66.983 2.257 19667 793 1 3 . 1 1 24 24 THR H H 24 9.140 9.140 8.538 0.602 19667 794 1 3 . 1 1 25 25 LEU N N 25 124.680 124.680 119.887 4.793 19667 795 1 3 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.841 -0.091 19667 796 1 3 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.843 1.787 19667 797 1 3 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.642 -5.332 19667 798 1 3 . 1 1 25 25 LEU H H 25 8.090 8.090 7.605 0.485 19667 799 1 3 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.648 0.502 19667 800 1 3 . 1 1 26 26 PRO C C 26 176.040 176.040 175.559 0.481 19667 801 1 3 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.645 -0.715 19667 802 1 3 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.657 0.734 19667 803 1 3 . 1 1 27 27 ALA N N 27 121.180 121.180 125.544 -4.364 19667 804 1 3 . 1 1 27 27 ALA HA H 27 5.020 5.020 5.134 -0.114 19667 805 1 3 . 1 1 27 27 ALA C C 27 176.000 176.000 175.693 0.307 19667 806 1 3 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.347 0.253 19667 807 1 3 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.161 0.959 19667 808 1 3 . 1 1 27 27 ALA H H 27 8.970 8.970 9.006 -0.036 19667 809 1 3 . 1 1 28 28 THR N N 28 113.950 113.950 116.784 -2.834 19667 810 1 3 . 1 1 28 28 THR HA H 28 5.060 5.060 5.050 0.010 19667 811 1 3 . 1 1 28 28 THR C C 28 174.890 174.890 174.466 0.424 19667 812 1 3 . 1 1 28 28 THR CA C 28 60.810 60.810 61.343 -0.533 19667 813 1 3 . 1 1 28 28 THR CB C 28 71.020 71.020 70.560 0.460 19667 814 1 3 . 1 1 28 28 THR H H 28 7.960 7.960 8.458 -0.498 19667 815 1 3 . 1 1 29 29 ILE N N 29 125.420 125.420 129.826 -4.406 19667 816 1 3 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.054 -0.094 19667 817 1 3 . 1 1 29 29 ILE C C 29 176.190 176.190 176.081 0.109 19667 818 1 3 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.775 1.115 19667 819 1 3 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.125 0.645 19667 820 1 3 . 1 1 29 29 ILE H H 29 8.940 8.940 8.455 0.485 19667 821 1 3 . 1 1 30 30 SER N N 30 126.420 126.420 125.188 1.232 19667 822 1 3 . 1 1 30 30 SER HA H 30 4.720 4.720 4.579 0.141 19667 823 1 3 . 1 1 30 30 SER C C 30 173.780 173.780 174.058 -0.278 19667 824 1 3 . 1 1 30 30 SER CA C 30 59.130 59.130 59.825 -0.695 19667 825 1 3 . 1 1 30 30 SER CB C 30 64.890 64.890 64.262 0.628 19667 826 1 3 . 1 1 30 30 SER H H 30 9.750 9.750 8.326 1.423 19667 827 1 3 . 1 1 31 31 GLU N N 31 120.570 120.570 120.273 0.297 19667 828 1 3 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.529 -0.019 19667 829 1 3 . 1 1 31 31 GLU C C 31 173.520 173.520 173.842 -0.322 19667 830 1 3 . 1 1 31 31 GLU CA C 31 56.530 56.530 56.393 0.137 19667 831 1 3 . 1 1 31 31 GLU CB C 31 34.550 34.550 33.718 0.833 19667 832 1 3 . 1 1 31 31 GLU H H 31 7.980 7.980 7.634 0.346 19667 833 1 3 . 1 1 32 32 VAL N N 32 123.360 123.360 122.029 1.331 19667 834 1 3 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.290 0.070 19667 835 1 3 . 1 1 32 32 VAL C C 32 174.100 174.100 173.757 0.343 19667 836 1 3 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.254 1.736 19667 837 1 3 . 1 1 32 32 VAL CB C 32 34.960 34.960 34.853 0.106 19667 838 1 3 . 1 1 32 32 VAL H H 32 8.920 8.920 8.368 0.552 19667 839 1 3 . 1 1 33 33 ASN N N 33 126.240 126.240 125.140 1.100 19667 840 1 3 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.016 0.084 19667 841 1 3 . 1 1 33 33 ASN C C 33 174.950 174.950 175.184 -0.234 19667 842 1 3 . 1 1 33 33 ASN CA C 33 51.390 51.390 52.119 -0.729 19667 843 1 3 . 1 1 33 33 ASN CB C 33 38.510 38.510 39.163 -0.653 19667 844 1 3 . 1 1 33 33 ASN H H 33 8.880 8.880 9.200 -0.320 19667 845 1 3 . 1 1 34 34 ALA N N 34 126.960 126.960 127.707 -0.747 19667 846 1 3 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.299 -0.169 19667 847 1 3 . 1 1 34 34 ALA C C 34 179.800 179.800 179.513 0.287 19667 848 1 3 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.689 0.941 19667 849 1 3 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.799 -0.159 19667 850 1 3 . 1 1 34 34 ALA H H 34 9.120 9.120 8.962 0.158 19667 851 1 3 . 1 1 35 35 GLU N N 35 118.690 118.690 119.440 -0.750 19667 852 1 3 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.079 -0.019 19667 853 1 3 . 1 1 35 35 GLU C C 35 177.960 177.960 177.842 0.118 19667 854 1 3 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.922 0.808 19667 855 1 3 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.516 -0.186 19667 856 1 3 . 1 1 35 35 GLU H H 35 8.710 8.710 8.656 0.054 19667 857 1 3 . 1 1 36 36 GLN N N 36 113.480 113.480 115.401 -1.921 19667 858 1 3 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.584 -0.294 19667 859 1 3 . 1 1 36 36 GLN C C 36 173.890 173.890 174.546 -0.656 19667 860 1 3 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.666 0.054 19667 861 1 3 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.426 0.884 19667 862 1 3 . 1 1 36 36 GLN H H 36 7.240 7.240 7.732 -0.492 19667 863 1 3 . 1 1 37 37 GLN N N 37 116.180 116.180 115.768 0.412 19667 864 1 3 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.214 -2.074 19667 865 1 3 . 1 1 37 37 GLN C C 37 174.570 174.570 175.447 -0.877 19667 866 1 3 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.235 -0.625 19667 867 1 3 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.512 -0.772 19667 868 1 3 . 1 1 37 37 GLN H H 37 7.550 7.550 7.792 -0.242 19667 869 1 3 . 1 1 38 38 LYS N N 38 116.330 116.330 117.148 -0.818 19667 870 1 3 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.610 0.400 19667 871 1 3 . 1 1 38 38 LYS C C 38 173.820 173.820 173.703 0.117 19667 872 1 3 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.084 -0.253 19667 873 1 3 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.783 1.017 19667 874 1 3 . 1 1 38 38 LYS H H 38 7.790 7.790 8.416 -0.626 19667 875 1 3 . 1 1 39 39 LEU N N 39 120.450 120.450 121.882 -1.432 19667 876 1 3 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.453 0.587 19667 877 1 3 . 1 1 39 39 LEU C C 39 175.870 175.870 173.817 2.053 19667 878 1 3 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.604 -0.384 19667 879 1 3 . 1 1 39 39 LEU CB C 39 46.580 46.580 46.226 0.354 19667 880 1 3 . 1 1 39 39 LEU H H 39 9.340 9.340 9.050 0.290 19667 881 1 3 . 1 1 40 40 LYS N N 40 120.660 120.660 123.157 -2.497 19667 882 1 3 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.752 0.368 19667 883 1 3 . 1 1 40 40 LYS C C 40 176.120 176.120 175.136 0.984 19667 884 1 3 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.575 1.246 19667 885 1 3 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.357 -0.977 19667 886 1 3 . 1 1 40 40 LYS H H 40 8.590 8.590 8.967 -0.377 19667 887 1 3 . 1 1 41 41 VAL N N 41 117.680 117.680 120.072 -2.392 19667 888 1 3 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.998 0.252 19667 889 1 3 . 1 1 41 41 VAL C C 41 173.490 173.490 173.129 0.361 19667 890 1 3 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.663 -2.013 19667 891 1 3 . 1 1 41 41 VAL CB C 41 34.540 34.540 36.057 -1.517 19667 892 1 3 . 1 1 41 41 VAL H H 41 9.160 9.160 9.000 0.160 19667 893 1 3 . 1 1 42 42 LEU N N 42 120.900 120.900 122.133 -1.233 19667 894 1 3 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.657 0.173 19667 895 1 3 . 1 1 42 42 LEU C C 42 176.810 176.810 174.280 2.530 19667 896 1 3 . 1 1 42 42 LEU CA C 42 53.340 53.340 52.854 0.486 19667 897 1 3 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.647 -1.357 19667 898 1 3 . 1 1 42 42 LEU H H 42 8.970 8.970 8.951 0.019 19667 899 1 3 . 1 1 43 43 VAL N N 43 124.360 124.360 125.226 -0.866 19667 900 1 3 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.275 0.095 19667 901 1 3 . 1 1 43 43 VAL C C 43 174.820 174.820 174.286 0.534 19667 902 1 3 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.813 0.637 19667 903 1 3 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.577 -0.577 19667 904 1 3 . 1 1 43 43 VAL H H 43 8.670 8.670 8.032 0.638 19667 905 1 3 . 1 1 44 44 SER N N 44 121.390 121.390 124.059 -2.669 19667 906 1 3 . 1 1 44 44 SER HA H 44 4.770 4.770 4.602 0.168 19667 907 1 3 . 1 1 44 44 SER C C 44 173.610 173.610 173.417 0.193 19667 908 1 3 . 1 1 44 44 SER CA C 44 57.440 57.440 58.086 -0.646 19667 909 1 3 . 1 1 44 44 SER CB C 44 63.070 63.070 63.504 -0.434 19667 910 1 3 . 1 1 44 44 SER H H 44 8.870 8.870 8.452 0.418 19667 911 1 3 . 1 1 45 45 ILE N N 45 126.730 126.730 124.665 2.065 19667 912 1 3 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.223 -0.003 19667 913 1 3 . 1 1 45 45 ILE CA C 45 59.970 59.970 59.962 0.008 19667 914 1 3 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.953 -1.893 19667 915 1 3 . 1 1 45 45 ILE H H 45 8.320 8.320 9.087 -0.767 19667 916 1 3 . 1 1 46 46 PHE N N 46 125.740 125.740 124.174 1.566 19667 917 1 3 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.195 0.155 19667 918 1 3 . 1 1 46 46 PHE C C 46 176.020 176.020 176.759 -0.739 19667 919 1 3 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.778 -1.268 19667 920 1 3 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.022 -0.952 19667 921 1 3 . 1 1 46 46 PHE H H 46 9.050 9.050 8.498 0.552 19667 922 1 3 . 1 1 47 47 GLY N N 47 104.300 104.300 112.565 -8.265 19667 923 1 3 . 1 1 47 47 GLY C C 47 173.560 173.560 173.697 -0.137 19667 924 1 3 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.093 0.457 19667 925 1 3 . 1 1 47 47 GLY H H 47 8.340 8.340 8.762 -0.422 19667 926 1 3 . 1 1 48 48 ARG N N 48 120.650 120.650 118.231 2.419 19667 927 1 3 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.427 0.223 19667 928 1 3 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.466 -0.796 19667 929 1 3 . 1 1 48 48 ARG CB C 48 31.910 31.910 34.395 -2.485 19667 930 1 3 . 1 1 48 48 ARG H H 48 7.870 7.870 8.639 -0.769 19667 931 1 3 . 1 1 49 49 GLU N N 49 126.100 126.100 125.539 0.561 19667 932 1 3 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.281 -0.621 19667 933 1 3 . 1 1 49 49 GLU C C 49 176.320 176.320 175.858 0.462 19667 934 1 3 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.344 1.396 19667 935 1 3 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.596 -2.306 19667 936 1 3 . 1 1 49 49 GLU H H 49 8.790 8.790 8.676 0.114 19667 937 1 3 . 1 1 50 50 THR N N 50 123.540 123.540 120.900 2.640 19667 938 1 3 . 1 1 50 50 THR HA H 50 4.810 4.810 4.702 0.108 19667 939 1 3 . 1 1 50 50 THR CA C 50 59.920 59.920 59.156 0.764 19667 940 1 3 . 1 1 50 50 THR CB C 50 72.350 72.350 70.327 2.023 19667 941 1 3 . 1 1 50 50 THR H H 50 9.110 9.110 8.062 1.048 19667 942 1 3 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.467 0.863 19667 943 1 3 . 1 1 51 51 PRO C C 51 176.800 176.800 175.705 1.095 19667 944 1 3 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.527 -0.797 19667 945 1 3 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.339 -0.229 19667 946 1 3 . 1 1 52 52 VAL N N 52 123.010 123.010 122.782 0.228 19667 947 1 3 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.325 -0.055 19667 948 1 3 . 1 1 52 52 VAL C C 52 173.750 173.750 174.474 -0.724 19667 949 1 3 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.918 0.462 19667 950 1 3 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.468 0.422 19667 951 1 3 . 1 1 52 52 VAL H H 52 9.110 9.110 8.950 0.160 19667 952 1 3 . 1 1 53 53 GLU N N 53 126.730 126.730 126.628 0.102 19667 953 1 3 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.472 0.728 19667 954 1 3 . 1 1 53 53 GLU C C 53 174.980 174.980 174.952 0.028 19667 955 1 3 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.925 -0.424 19667 956 1 3 . 1 1 53 53 GLU CB C 53 31.410 31.410 30.951 0.459 19667 957 1 3 . 1 1 53 53 GLU H H 53 8.570 8.570 8.629 -0.059 19667 958 1 3 . 1 1 54 54 LEU N N 54 126.200 126.200 126.474 -0.274 19667 959 1 3 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.767 0.243 19667 960 1 3 . 1 1 54 54 LEU C C 54 175.940 175.940 175.715 0.225 19667 961 1 3 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.453 -0.053 19667 962 1 3 . 1 1 54 54 LEU CB C 54 47.360 47.360 47.264 0.096 19667 963 1 3 . 1 1 54 54 LEU H H 54 8.850 8.850 8.976 -0.126 19667 964 1 3 . 1 1 55 55 THR N N 55 111.050 111.050 111.160 -0.110 19667 965 1 3 . 1 1 55 55 THR HA H 55 5.210 5.210 4.550 0.660 19667 966 1 3 . 1 1 55 55 THR C C 55 176.450 176.450 174.763 1.687 19667 967 1 3 . 1 1 55 55 THR CA C 55 60.760 60.760 59.750 1.010 19667 968 1 3 . 1 1 55 55 THR CB C 55 70.930 70.930 71.108 -0.178 19667 969 1 3 . 1 1 55 55 THR H H 55 9.140 9.140 7.865 1.275 19667 970 1 3 . 1 1 56 56 PHE N N 56 119.120 119.120 120.975 -1.855 19667 971 1 3 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.091 0.059 19667 972 1 3 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.533 -1.963 19667 973 1 3 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.924 -1.094 19667 974 1 3 . 1 1 56 56 PHE H H 56 8.100 8.100 8.154 -0.054 19667 975 1 3 . 1 1 57 57 GLY N N 57 103.400 103.400 111.699 -8.299 19667 976 1 3 . 1 1 57 57 GLY C C 57 174.880 174.880 175.267 -0.387 19667 977 1 3 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.617 0.183 19667 978 1 3 . 1 1 57 57 GLY H H 57 8.360 8.360 8.733 -0.373 19667 979 1 3 . 1 1 58 58 GLN N N 58 117.080 117.080 119.425 -2.345 19667 980 1 3 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.162 0.228 19667 981 1 3 . 1 1 58 58 GLN C C 58 174.120 174.120 174.804 -0.684 19667 982 1 3 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.901 -0.531 19667 983 1 3 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.355 2.686 19667 984 1 3 . 1 1 58 58 GLN H H 58 7.790 7.790 8.014 -0.224 19667 985 1 3 . 1 1 59 59 VAL N N 59 110.280 110.280 111.250 -0.970 19667 986 1 3 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.262 -0.012 19667 987 1 3 . 1 1 59 59 VAL C C 59 173.600 173.600 174.676 -1.076 19667 988 1 3 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.933 -0.113 19667 989 1 3 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.002 0.988 19667 990 1 3 . 1 1 59 59 VAL H H 59 7.350 7.350 7.142 0.208 19667 991 1 3 . 1 1 60 60 SER N N 60 112.630 112.630 118.798 -6.168 19667 992 1 3 . 1 1 60 60 SER HA H 60 4.910 4.910 4.823 0.087 19667 993 1 3 . 1 1 60 60 SER C C 60 173.830 173.830 174.286 -0.456 19667 994 1 3 . 1 1 60 60 SER CA C 60 56.860 56.860 56.215 0.645 19667 995 1 3 . 1 1 60 60 SER CB C 60 66.280 66.280 64.673 1.607 19667 996 1 3 . 1 1 60 60 SER H H 60 8.510 8.510 8.670 -0.160 19667 997 1 3 . 1 1 61 61 LYS N N 61 124.640 124.640 126.416 -1.776 19667 998 1 3 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.335 0.275 19667 999 1 3 . 1 1 61 61 LYS C C 61 176.290 176.290 176.321 -0.031 19667 1000 1 3 . 1 1 61 61 LYS CA C 61 57.470 57.470 57.047 0.423 19667 1001 1 3 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.279 0.281 19667 1002 1 3 . 1 1 61 61 LYS H H 61 8.720 8.720 8.695 0.025 19667 1003 1 4 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.267 0.403 19667 1004 1 4 . 1 1 2 2 ARG CA C 2 54.250 54.250 55.879 -1.629 19667 1005 1 4 . 1 1 2 2 ARG CB C 2 30.250 30.250 29.264 0.986 19667 1006 1 4 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.500 -0.010 19667 1007 1 4 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.778 0.392 19667 1008 1 4 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.552 -0.432 19667 1009 1 4 . 1 1 4 4 VAL N N 4 121.160 121.160 122.729 -1.569 19667 1010 1 4 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.299 -0.219 19667 1011 1 4 . 1 1 4 4 VAL C C 4 175.940 175.940 175.140 0.800 19667 1012 1 4 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.918 0.812 19667 1013 1 4 . 1 1 4 4 VAL CB C 4 32.740 32.740 33.079 -0.339 19667 1014 1 4 . 1 1 4 4 VAL H H 4 8.310 8.310 8.170 0.140 19667 1015 1 4 . 1 1 5 5 VAL N N 5 123.660 123.660 124.167 -0.507 19667 1016 1 4 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.538 -0.338 19667 1017 1 4 . 1 1 5 5 VAL C C 5 175.520 175.520 175.145 0.375 19667 1018 1 4 . 1 1 5 5 VAL CA C 5 61.940 61.940 60.387 1.553 19667 1019 1 4 . 1 1 5 5 VAL CB C 5 33.130 33.130 33.436 -0.306 19667 1020 1 4 . 1 1 5 5 VAL H H 5 8.160 8.160 8.221 -0.061 19667 1021 1 4 . 1 1 6 6 GLU N N 6 125.610 125.610 121.389 4.221 19667 1022 1 4 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.558 -0.228 19667 1023 1 4 . 1 1 6 6 GLU C C 6 175.520 175.520 175.819 -0.299 19667 1024 1 4 . 1 1 6 6 GLU CA C 6 56.560 56.560 55.813 0.747 19667 1025 1 4 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.655 -0.495 19667 1026 1 4 . 1 1 6 6 GLU H H 6 8.530 8.530 8.357 0.173 19667 1027 1 4 . 1 1 7 7 VAL N N 7 119.540 119.540 123.503 -3.963 19667 1028 1 4 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.144 0.026 19667 1029 1 4 . 1 1 7 7 VAL C C 7 174.070 174.070 175.252 -1.182 19667 1030 1 4 . 1 1 7 7 VAL CA C 7 61.230 61.230 62.127 -0.897 19667 1031 1 4 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.145 1.485 19667 1032 1 4 . 1 1 7 7 VAL H H 7 8.030 8.030 8.306 -0.276 19667 1033 1 4 . 1 1 8 8 ASP N N 8 123.880 123.880 126.058 -2.178 19667 1034 1 4 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.765 -0.135 19667 1035 1 4 . 1 1 8 8 ASP C C 8 174.090 174.090 174.322 -0.232 19667 1036 1 4 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.199 1.391 19667 1037 1 4 . 1 1 8 8 ASP CB C 8 42.410 42.410 44.592 -2.182 19667 1038 1 4 . 1 1 8 8 ASP H H 8 8.040 8.040 8.214 -0.174 19667 1039 1 4 . 1 1 9 9 TYR N N 9 118.630 118.630 118.996 -0.366 19667 1040 1 4 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.678 0.092 19667 1041 1 4 . 1 1 9 9 TYR C C 9 174.260 174.260 176.049 -1.789 19667 1042 1 4 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.641 -0.321 19667 1043 1 4 . 1 1 9 9 TYR CB C 9 42.770 42.770 40.802 1.968 19667 1044 1 4 . 1 1 9 9 TYR H H 9 7.760 7.760 8.785 -1.025 19667 1045 1 4 . 1 1 10 10 GLU N N 10 119.600 119.600 120.414 -0.814 19667 1046 1 4 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.661 0.029 19667 1047 1 4 . 1 1 10 10 GLU C C 10 175.220 175.220 175.295 -0.075 19667 1048 1 4 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.531 -0.651 19667 1049 1 4 . 1 1 10 10 GLU CB C 10 30.730 30.730 32.904 -2.174 19667 1050 1 4 . 1 1 10 10 GLU H H 10 8.710 8.710 8.751 -0.041 19667 1051 1 4 . 1 1 11 11 VAL N N 11 121.500 121.500 119.600 1.900 19667 1052 1 4 . 1 1 11 11 VAL HA H 11 3.220 3.220 4.103 -0.883 19667 1053 1 4 . 1 1 11 11 VAL C C 11 177.320 177.320 177.723 -0.403 19667 1054 1 4 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.346 2.404 19667 1055 1 4 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.631 -0.131 19667 1056 1 4 . 1 1 11 11 VAL H H 11 8.600 8.600 8.514 0.086 19667 1057 1 4 . 1 1 12 12 GLY N N 12 115.830 115.830 116.005 -0.175 19667 1058 1 4 . 1 1 12 12 GLY C C 12 173.830 173.830 173.949 -0.119 19667 1059 1 4 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.782 -0.072 19667 1060 1 4 . 1 1 12 12 GLY H H 12 8.990 8.990 8.854 0.136 19667 1061 1 4 . 1 1 13 13 GLU N N 13 121.780 121.780 120.804 0.976 19667 1062 1 4 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.577 -0.237 19667 1063 1 4 . 1 1 13 13 GLU C C 13 175.460 175.460 175.398 0.062 19667 1064 1 4 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.508 1.452 19667 1065 1 4 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.291 0.419 19667 1066 1 4 . 1 1 13 13 GLU H H 13 7.760 7.760 7.652 0.108 19667 1067 1 4 . 1 1 14 14 SER N N 14 119.230 119.230 116.663 2.567 19667 1068 1 4 . 1 1 14 14 SER HA H 14 5.350 5.350 5.650 -0.300 19667 1069 1 4 . 1 1 14 14 SER C C 14 173.600 173.600 173.856 -0.256 19667 1070 1 4 . 1 1 14 14 SER CA C 14 58.280 58.280 57.181 1.099 19667 1071 1 4 . 1 1 14 14 SER CB C 14 64.350 64.350 64.538 -0.188 19667 1072 1 4 . 1 1 14 14 SER H H 14 8.650 8.650 8.582 0.068 19667 1073 1 4 . 1 1 15 15 VAL N N 15 116.180 116.180 119.539 -3.359 19667 1074 1 4 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.709 0.301 19667 1075 1 4 . 1 1 15 15 VAL C C 15 174.220 174.220 174.275 -0.055 19667 1076 1 4 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.547 -0.737 19667 1077 1 4 . 1 1 15 15 VAL CB C 15 36.680 36.680 34.720 1.960 19667 1078 1 4 . 1 1 15 15 VAL H H 15 8.920 8.920 9.011 -0.091 19667 1079 1 4 . 1 1 16 16 THR N N 16 116.710 116.710 118.312 -1.602 19667 1080 1 4 . 1 1 16 16 THR HA H 16 4.700 4.700 4.818 -0.118 19667 1081 1 4 . 1 1 16 16 THR C C 16 174.300 174.300 174.770 -0.470 19667 1082 1 4 . 1 1 16 16 THR CA C 16 61.850 61.850 62.560 -0.710 19667 1083 1 4 . 1 1 16 16 THR CB C 16 70.070 70.070 69.935 0.135 19667 1084 1 4 . 1 1 16 16 THR H H 16 8.890 8.890 8.745 0.145 19667 1085 1 4 . 1 1 17 17 VAL N N 17 127.930 127.930 127.587 0.343 19667 1086 1 4 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.772 0.078 19667 1087 1 4 . 1 1 17 17 VAL C C 17 176.880 176.880 175.843 1.037 19667 1088 1 4 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.682 -0.132 19667 1089 1 4 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.677 -0.987 19667 1090 1 4 . 1 1 17 17 VAL H H 17 8.820 8.820 9.014 -0.194 19667 1091 1 4 . 1 1 18 18 MET N N 18 124.420 124.420 125.244 -0.824 19667 1092 1 4 . 1 1 18 18 MET HA H 18 4.860 4.860 4.690 0.170 19667 1093 1 4 . 1 1 18 18 MET C C 18 175.360 175.360 175.827 -0.467 19667 1094 1 4 . 1 1 18 18 MET CA C 18 54.440 54.440 54.496 -0.056 19667 1095 1 4 . 1 1 18 18 MET CB C 18 32.720 32.720 33.119 -0.399 19667 1096 1 4 . 1 1 18 18 MET H H 18 9.070 9.070 8.245 0.825 19667 1097 1 4 . 1 1 19 19 ASP N N 19 118.000 118.000 119.179 -1.179 19667 1098 1 4 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.787 0.213 19667 1099 1 4 . 1 1 19 19 ASP C C 19 174.380 174.380 176.024 -1.644 19667 1100 1 4 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.747 -0.467 19667 1101 1 4 . 1 1 19 19 ASP CB C 19 46.230 46.230 42.882 3.348 19667 1102 1 4 . 1 1 19 19 ASP H H 19 7.380 7.380 7.663 -0.283 19667 1103 1 4 . 1 1 20 20 GLY N N 20 107.900 107.900 111.086 -3.186 19667 1104 1 4 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.540 0.730 19667 1105 1 4 . 1 1 20 20 GLY H H 20 8.280 8.280 7.996 0.284 19667 1106 1 4 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.380 -0.210 19667 1107 1 4 . 1 1 21 21 PRO C C 21 177.580 177.580 176.423 1.157 19667 1108 1 4 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.462 -0.062 19667 1109 1 4 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.686 -0.016 19667 1110 1 4 . 1 1 22 22 PHE N N 22 116.800 116.800 117.424 -0.624 19667 1111 1 4 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.612 0.108 19667 1112 1 4 . 1 1 22 22 PHE C C 22 173.130 173.130 175.496 -2.366 19667 1113 1 4 . 1 1 22 22 PHE CA C 22 56.140 56.140 55.733 0.407 19667 1114 1 4 . 1 1 22 22 PHE CB C 22 36.950 36.950 37.784 -0.834 19667 1115 1 4 . 1 1 22 22 PHE H H 22 8.870 8.870 7.548 1.322 19667 1116 1 4 . 1 1 23 23 ALA N N 23 120.160 120.160 121.504 -1.344 19667 1117 1 4 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.038 -0.448 19667 1118 1 4 . 1 1 23 23 ALA C C 23 178.830 178.830 177.902 0.928 19667 1119 1 4 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.275 0.295 19667 1120 1 4 . 1 1 23 23 ALA CB C 23 18.470 18.470 19.087 -0.617 19667 1121 1 4 . 1 1 23 23 ALA H H 23 7.410 7.410 7.280 0.130 19667 1122 1 4 . 1 1 24 24 THR N N 24 114.390 114.390 112.465 1.925 19667 1123 1 4 . 1 1 24 24 THR HA H 24 4.060 4.060 3.888 0.172 19667 1124 1 4 . 1 1 24 24 THR C C 24 173.550 173.550 173.396 0.154 19667 1125 1 4 . 1 1 24 24 THR CA C 24 65.800 65.800 63.500 2.300 19667 1126 1 4 . 1 1 24 24 THR CB C 24 69.240 69.240 66.624 2.616 19667 1127 1 4 . 1 1 24 24 THR H H 24 9.140 9.140 8.673 0.467 19667 1128 1 4 . 1 1 25 25 LEU N N 25 124.680 124.680 119.423 5.257 19667 1129 1 4 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.837 -0.087 19667 1130 1 4 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.813 1.817 19667 1131 1 4 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.708 -5.398 19667 1132 1 4 . 1 1 25 25 LEU H H 25 8.090 8.090 7.599 0.491 19667 1133 1 4 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.712 0.438 19667 1134 1 4 . 1 1 26 26 PRO C C 26 176.040 176.040 175.728 0.312 19667 1135 1 4 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.532 -0.602 19667 1136 1 4 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.949 0.441 19667 1137 1 4 . 1 1 27 27 ALA N N 27 121.180 121.180 123.975 -2.795 19667 1138 1 4 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.707 0.313 19667 1139 1 4 . 1 1 27 27 ALA C C 27 176.000 176.000 175.555 0.445 19667 1140 1 4 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.945 -0.345 19667 1141 1 4 . 1 1 27 27 ALA CB C 27 24.120 24.120 22.889 1.231 19667 1142 1 4 . 1 1 27 27 ALA H H 27 8.970 8.970 8.784 0.186 19667 1143 1 4 . 1 1 28 28 THR N N 28 113.950 113.950 117.032 -3.082 19667 1144 1 4 . 1 1 28 28 THR HA H 28 5.060 5.060 5.135 -0.075 19667 1145 1 4 . 1 1 28 28 THR C C 28 174.890 174.890 174.379 0.511 19667 1146 1 4 . 1 1 28 28 THR CA C 28 60.810 60.810 61.527 -0.717 19667 1147 1 4 . 1 1 28 28 THR CB C 28 71.020 71.020 70.606 0.414 19667 1148 1 4 . 1 1 28 28 THR H H 28 7.960 7.960 8.530 -0.570 19667 1149 1 4 . 1 1 29 29 ILE N N 29 125.420 125.420 129.164 -3.744 19667 1150 1 4 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.049 -0.089 19667 1151 1 4 . 1 1 29 29 ILE C C 29 176.190 176.190 175.993 0.197 19667 1152 1 4 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.907 0.983 19667 1153 1 4 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.083 0.687 19667 1154 1 4 . 1 1 29 29 ILE H H 29 8.940 8.940 9.174 -0.234 19667 1155 1 4 . 1 1 30 30 SER N N 30 126.420 126.420 124.612 1.808 19667 1156 1 4 . 1 1 30 30 SER HA H 30 4.720 4.720 4.510 0.210 19667 1157 1 4 . 1 1 30 30 SER C C 30 173.780 173.780 174.116 -0.336 19667 1158 1 4 . 1 1 30 30 SER CA C 30 59.130 59.130 59.099 0.031 19667 1159 1 4 . 1 1 30 30 SER CB C 30 64.890 64.890 64.250 0.640 19667 1160 1 4 . 1 1 30 30 SER H H 30 9.750 9.750 8.428 1.322 19667 1161 1 4 . 1 1 31 31 GLU N N 31 120.570 120.570 119.851 0.719 19667 1162 1 4 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.574 -0.064 19667 1163 1 4 . 1 1 31 31 GLU C C 31 173.520 173.520 174.115 -0.595 19667 1164 1 4 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.779 0.751 19667 1165 1 4 . 1 1 31 31 GLU CB C 31 34.550 34.550 34.462 0.089 19667 1166 1 4 . 1 1 31 31 GLU H H 31 7.980 7.980 7.635 0.345 19667 1167 1 4 . 1 1 32 32 VAL N N 32 123.360 123.360 121.486 1.874 19667 1168 1 4 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.294 0.066 19667 1169 1 4 . 1 1 32 32 VAL C C 32 174.100 174.100 173.947 0.153 19667 1170 1 4 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.569 1.421 19667 1171 1 4 . 1 1 32 32 VAL CB C 32 34.960 34.960 34.885 0.075 19667 1172 1 4 . 1 1 32 32 VAL H H 32 8.920 8.920 8.440 0.480 19667 1173 1 4 . 1 1 33 33 ASN N N 33 126.240 126.240 127.404 -1.164 19667 1174 1 4 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.074 0.026 19667 1175 1 4 . 1 1 33 33 ASN C C 33 174.950 174.950 174.875 0.075 19667 1176 1 4 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.714 -0.324 19667 1177 1 4 . 1 1 33 33 ASN CB C 33 38.510 38.510 39.077 -0.567 19667 1178 1 4 . 1 1 33 33 ASN H H 33 8.880 8.880 9.283 -0.403 19667 1179 1 4 . 1 1 34 34 ALA N N 34 126.960 126.960 128.610 -1.650 19667 1180 1 4 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.191 -0.061 19667 1181 1 4 . 1 1 34 34 ALA C C 34 179.800 179.800 179.183 0.617 19667 1182 1 4 . 1 1 34 34 ALA CA C 34 55.630 55.630 55.161 0.469 19667 1183 1 4 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.784 -0.144 19667 1184 1 4 . 1 1 34 34 ALA H H 34 9.120 9.120 8.721 0.399 19667 1185 1 4 . 1 1 35 35 GLU N N 35 118.690 118.690 119.124 -0.434 19667 1186 1 4 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.063 -0.003 19667 1187 1 4 . 1 1 35 35 GLU C C 35 177.960 177.960 177.598 0.362 19667 1188 1 4 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.921 0.809 19667 1189 1 4 . 1 1 35 35 GLU CB C 35 29.330 29.330 28.689 0.641 19667 1190 1 4 . 1 1 35 35 GLU H H 35 8.710 8.710 8.884 -0.174 19667 1191 1 4 . 1 1 36 36 GLN N N 36 113.480 113.480 115.580 -2.100 19667 1192 1 4 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.524 -0.234 19667 1193 1 4 . 1 1 36 36 GLN C C 36 173.890 173.890 174.709 -0.819 19667 1194 1 4 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.949 -0.229 19667 1195 1 4 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.751 0.559 19667 1196 1 4 . 1 1 36 36 GLN H H 36 7.240 7.240 7.829 -0.589 19667 1197 1 4 . 1 1 37 37 GLN N N 37 116.180 116.180 116.042 0.138 19667 1198 1 4 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.153 -2.013 19667 1199 1 4 . 1 1 37 37 GLN C C 37 174.570 174.570 175.178 -0.608 19667 1200 1 4 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.018 -0.408 19667 1201 1 4 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.381 -0.641 19667 1202 1 4 . 1 1 37 37 GLN H H 37 7.550 7.550 8.094 -0.544 19667 1203 1 4 . 1 1 38 38 LYS N N 38 116.330 116.330 118.270 -1.940 19667 1204 1 4 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.671 0.339 19667 1205 1 4 . 1 1 38 38 LYS C C 38 173.820 173.820 174.314 -0.494 19667 1206 1 4 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.162 -0.332 19667 1207 1 4 . 1 1 38 38 LYS CB C 38 37.800 37.800 35.396 2.404 19667 1208 1 4 . 1 1 38 38 LYS H H 38 7.790 7.790 8.567 -0.777 19667 1209 1 4 . 1 1 39 39 LEU N N 39 120.450 120.450 126.181 -5.731 19667 1210 1 4 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.358 0.682 19667 1211 1 4 . 1 1 39 39 LEU C C 39 175.870 175.870 174.384 1.486 19667 1212 1 4 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.563 -0.343 19667 1213 1 4 . 1 1 39 39 LEU CB C 39 46.580 46.580 44.969 1.611 19667 1214 1 4 . 1 1 39 39 LEU H H 39 9.340 9.340 8.681 0.659 19667 1215 1 4 . 1 1 40 40 LYS N N 40 120.660 120.660 122.867 -2.207 19667 1216 1 4 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.849 0.271 19667 1217 1 4 . 1 1 40 40 LYS C C 40 176.120 176.120 175.169 0.951 19667 1218 1 4 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.873 0.947 19667 1219 1 4 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.169 -0.788 19667 1220 1 4 . 1 1 40 40 LYS H H 40 8.590 8.590 8.974 -0.384 19667 1221 1 4 . 1 1 41 41 VAL N N 41 117.680 117.680 118.733 -1.053 19667 1222 1 4 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.966 0.284 19667 1223 1 4 . 1 1 41 41 VAL C C 41 173.490 173.490 173.169 0.321 19667 1224 1 4 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.629 -1.979 19667 1225 1 4 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.218 -0.678 19667 1226 1 4 . 1 1 41 41 VAL H H 41 9.160 9.160 9.167 -0.007 19667 1227 1 4 . 1 1 42 42 LEU N N 42 120.900 120.900 124.827 -3.927 19667 1228 1 4 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.671 0.159 19667 1229 1 4 . 1 1 42 42 LEU C C 42 176.810 176.810 174.251 2.559 19667 1230 1 4 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.482 -0.142 19667 1231 1 4 . 1 1 42 42 LEU CB C 42 43.290 43.290 45.138 -1.848 19667 1232 1 4 . 1 1 42 42 LEU H H 42 8.970 8.970 9.052 -0.082 19667 1233 1 4 . 1 1 43 43 VAL N N 43 124.360 124.360 124.304 0.056 19667 1234 1 4 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.384 -0.014 19667 1235 1 4 . 1 1 43 43 VAL C C 43 174.820 174.820 174.303 0.517 19667 1236 1 4 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.555 0.895 19667 1237 1 4 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.892 -0.892 19667 1238 1 4 . 1 1 43 43 VAL H H 43 8.670 8.670 7.814 0.856 19667 1239 1 4 . 1 1 44 44 SER N N 44 121.390 121.390 121.644 -0.254 19667 1240 1 4 . 1 1 44 44 SER HA H 44 4.770 4.770 5.056 -0.286 19667 1241 1 4 . 1 1 44 44 SER C C 44 173.610 173.610 173.590 0.020 19667 1242 1 4 . 1 1 44 44 SER CA C 44 57.440 57.440 57.132 0.308 19667 1243 1 4 . 1 1 44 44 SER CB C 44 63.070 63.070 63.839 -0.769 19667 1244 1 4 . 1 1 44 44 SER H H 44 8.870 8.870 8.376 0.494 19667 1245 1 4 . 1 1 45 45 ILE N N 45 126.730 126.730 126.032 0.698 19667 1246 1 4 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.181 0.039 19667 1247 1 4 . 1 1 45 45 ILE CA C 45 59.970 59.970 58.725 1.245 19667 1248 1 4 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.723 -1.663 19667 1249 1 4 . 1 1 45 45 ILE H H 45 8.320 8.320 8.979 -0.659 19667 1250 1 4 . 1 1 46 46 PHE N N 46 125.740 125.740 124.854 0.886 19667 1251 1 4 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.258 0.092 19667 1252 1 4 . 1 1 46 46 PHE C C 46 176.020 176.020 176.599 -0.579 19667 1253 1 4 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.309 -0.799 19667 1254 1 4 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.469 -1.399 19667 1255 1 4 . 1 1 46 46 PHE H H 46 9.050 9.050 8.651 0.399 19667 1256 1 4 . 1 1 47 47 GLY N N 47 104.300 104.300 113.346 -9.046 19667 1257 1 4 . 1 1 47 47 GLY C C 47 173.560 173.560 174.178 -0.618 19667 1258 1 4 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.308 0.242 19667 1259 1 4 . 1 1 47 47 GLY H H 47 8.340 8.340 8.657 -0.317 19667 1260 1 4 . 1 1 48 48 ARG N N 48 120.650 120.650 117.872 2.778 19667 1261 1 4 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.330 0.320 19667 1262 1 4 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.605 -0.935 19667 1263 1 4 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.845 -1.935 19667 1264 1 4 . 1 1 48 48 ARG H H 48 7.870 7.870 8.275 -0.405 19667 1265 1 4 . 1 1 49 49 GLU N N 49 126.100 126.100 125.107 0.993 19667 1266 1 4 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.198 -0.538 19667 1267 1 4 . 1 1 49 49 GLU C C 49 176.320 176.320 175.933 0.387 19667 1268 1 4 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.063 1.677 19667 1269 1 4 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.664 -2.374 19667 1270 1 4 . 1 1 49 49 GLU H H 49 8.790 8.790 8.575 0.215 19667 1271 1 4 . 1 1 50 50 THR N N 50 123.540 123.540 120.570 2.970 19667 1272 1 4 . 1 1 50 50 THR HA H 50 4.810 4.810 4.741 0.069 19667 1273 1 4 . 1 1 50 50 THR CA C 50 59.920 59.920 59.625 0.295 19667 1274 1 4 . 1 1 50 50 THR CB C 50 72.350 72.350 69.863 2.487 19667 1275 1 4 . 1 1 50 50 THR H H 50 9.110 9.110 8.199 0.911 19667 1276 1 4 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.409 0.921 19667 1277 1 4 . 1 1 51 51 PRO C C 51 176.800 176.800 175.844 0.956 19667 1278 1 4 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.501 -0.770 19667 1279 1 4 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.541 -0.431 19667 1280 1 4 . 1 1 52 52 VAL N N 52 123.010 123.010 122.217 0.793 19667 1281 1 4 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.414 -0.144 19667 1282 1 4 . 1 1 52 52 VAL C C 52 173.750 173.750 174.640 -0.890 19667 1283 1 4 . 1 1 52 52 VAL CA C 52 61.380 61.380 61.337 0.042 19667 1284 1 4 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.812 0.078 19667 1285 1 4 . 1 1 52 52 VAL H H 52 9.110 9.110 9.021 0.089 19667 1286 1 4 . 1 1 53 53 GLU N N 53 126.730 126.730 125.232 1.498 19667 1287 1 4 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.478 0.722 19667 1288 1 4 . 1 1 53 53 GLU C C 53 174.980 174.980 175.087 -0.107 19667 1289 1 4 . 1 1 53 53 GLU CA C 53 55.500 55.500 56.119 -0.619 19667 1290 1 4 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.451 -0.041 19667 1291 1 4 . 1 1 53 53 GLU H H 53 8.570 8.570 8.607 -0.037 19667 1292 1 4 . 1 1 54 54 LEU N N 54 126.200 126.200 123.831 2.369 19667 1293 1 4 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.829 0.181 19667 1294 1 4 . 1 1 54 54 LEU C C 54 175.940 175.940 175.243 0.697 19667 1295 1 4 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.347 0.053 19667 1296 1 4 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.447 0.913 19667 1297 1 4 . 1 1 54 54 LEU H H 54 8.850 8.850 8.888 -0.038 19667 1298 1 4 . 1 1 55 55 THR N N 55 111.050 111.050 111.432 -0.382 19667 1299 1 4 . 1 1 55 55 THR HA H 55 5.210 5.210 4.441 0.769 19667 1300 1 4 . 1 1 55 55 THR C C 55 176.450 176.450 174.762 1.688 19667 1301 1 4 . 1 1 55 55 THR CA C 55 60.760 60.760 59.838 0.922 19667 1302 1 4 . 1 1 55 55 THR CB C 55 70.930 70.930 70.803 0.127 19667 1303 1 4 . 1 1 55 55 THR H H 55 9.140 9.140 7.952 1.188 19667 1304 1 4 . 1 1 56 56 PHE N N 56 119.120 119.120 121.538 -2.418 19667 1305 1 4 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.075 0.075 19667 1306 1 4 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.463 -1.893 19667 1307 1 4 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.882 -1.052 19667 1308 1 4 . 1 1 56 56 PHE H H 56 8.100 8.100 8.085 0.015 19667 1309 1 4 . 1 1 57 57 GLY N N 57 103.400 103.400 112.705 -9.305 19667 1310 1 4 . 1 1 57 57 GLY C C 57 174.880 174.880 175.103 -0.223 19667 1311 1 4 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.260 0.541 19667 1312 1 4 . 1 1 57 57 GLY H H 57 8.360 8.360 8.607 -0.247 19667 1313 1 4 . 1 1 58 58 GLN N N 58 117.080 117.080 119.819 -2.739 19667 1314 1 4 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.195 0.195 19667 1315 1 4 . 1 1 58 58 GLN C C 58 174.120 174.120 174.829 -0.709 19667 1316 1 4 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.879 -0.509 19667 1317 1 4 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.261 2.780 19667 1318 1 4 . 1 1 58 58 GLN H H 58 7.790 7.790 7.932 -0.142 19667 1319 1 4 . 1 1 59 59 VAL N N 59 110.280 110.280 111.815 -1.535 19667 1320 1 4 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.059 0.191 19667 1321 1 4 . 1 1 59 59 VAL C C 59 173.600 173.600 174.065 -0.465 19667 1322 1 4 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.386 0.434 19667 1323 1 4 . 1 1 59 59 VAL CB C 59 35.990 35.990 34.629 1.361 19667 1324 1 4 . 1 1 59 59 VAL H H 59 7.350 7.350 7.187 0.163 19667 1325 1 4 . 1 1 60 60 SER N N 60 112.630 112.630 117.278 -4.648 19667 1326 1 4 . 1 1 60 60 SER HA H 60 4.910 4.910 4.880 0.030 19667 1327 1 4 . 1 1 60 60 SER C C 60 173.830 173.830 174.323 -0.493 19667 1328 1 4 . 1 1 60 60 SER CA C 60 56.860 56.860 56.343 0.517 19667 1329 1 4 . 1 1 60 60 SER CB C 60 66.280 66.280 65.010 1.270 19667 1330 1 4 . 1 1 60 60 SER H H 60 8.510 8.510 8.564 -0.054 19667 1331 1 4 . 1 1 61 61 LYS N N 61 124.640 124.640 126.848 -2.208 19667 1332 1 4 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.442 0.168 19667 1333 1 4 . 1 1 61 61 LYS C C 61 176.290 176.290 176.533 -0.243 19667 1334 1 4 . 1 1 61 61 LYS CA C 61 57.470 57.470 55.916 1.554 19667 1335 1 4 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.405 0.155 19667 1336 1 4 . 1 1 61 61 LYS H H 61 8.720 8.720 8.589 0.131 19667 1337 1 5 . 1 1 2 2 ARG HA H 2 4.670 4.670 5.084 -0.414 19667 1338 1 5 . 1 1 2 2 ARG CA C 2 54.250 54.250 54.792 -0.542 19667 1339 1 5 . 1 1 2 2 ARG CB C 2 30.250 30.250 31.300 -1.050 19667 1340 1 5 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.593 -0.103 19667 1341 1 5 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.799 0.371 19667 1342 1 5 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.575 -0.455 19667 1343 1 5 . 1 1 4 4 VAL N N 4 121.160 121.160 119.267 1.893 19667 1344 1 5 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.475 -0.395 19667 1345 1 5 . 1 1 4 4 VAL C C 4 175.940 175.940 174.578 1.362 19667 1346 1 5 . 1 1 4 4 VAL CA C 4 62.730 62.730 60.921 1.809 19667 1347 1 5 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.430 -1.690 19667 1348 1 5 . 1 1 4 4 VAL H H 4 8.310 8.310 7.967 0.343 19667 1349 1 5 . 1 1 5 5 VAL N N 5 123.660 123.660 119.033 4.627 19667 1350 1 5 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.562 -0.362 19667 1351 1 5 . 1 1 5 5 VAL C C 5 175.520 175.520 176.121 -0.601 19667 1352 1 5 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.047 0.893 19667 1353 1 5 . 1 1 5 5 VAL CB C 5 33.130 33.130 34.248 -1.118 19667 1354 1 5 . 1 1 5 5 VAL H H 5 8.160 8.160 8.063 0.097 19667 1355 1 5 . 1 1 6 6 GLU N N 6 125.610 125.610 123.372 2.238 19667 1356 1 5 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.113 0.217 19667 1357 1 5 . 1 1 6 6 GLU C C 6 175.520 175.520 176.450 -0.930 19667 1358 1 5 . 1 1 6 6 GLU CA C 6 56.560 56.560 58.341 -1.781 19667 1359 1 5 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.013 0.147 19667 1360 1 5 . 1 1 6 6 GLU H H 6 8.530 8.530 8.638 -0.108 19667 1361 1 5 . 1 1 7 7 VAL N N 7 119.540 119.540 118.264 1.276 19667 1362 1 5 . 1 1 7 7 VAL HA H 7 4.170 4.170 3.957 0.213 19667 1363 1 5 . 1 1 7 7 VAL C C 7 174.070 174.070 172.833 1.237 19667 1364 1 5 . 1 1 7 7 VAL CA C 7 61.230 61.230 61.882 -0.652 19667 1365 1 5 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.094 1.536 19667 1366 1 5 . 1 1 7 7 VAL H H 7 8.030 8.030 7.555 0.475 19667 1367 1 5 . 1 1 8 8 ASP N N 8 123.880 123.880 124.553 -0.673 19667 1368 1 5 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.715 -0.085 19667 1369 1 5 . 1 1 8 8 ASP C C 8 174.090 174.090 174.233 -0.143 19667 1370 1 5 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.782 0.808 19667 1371 1 5 . 1 1 8 8 ASP CB C 8 42.410 42.410 42.734 -0.324 19667 1372 1 5 . 1 1 8 8 ASP H H 8 8.040 8.040 7.867 0.173 19667 1373 1 5 . 1 1 9 9 TYR N N 9 118.630 118.630 120.274 -1.644 19667 1374 1 5 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.587 0.183 19667 1375 1 5 . 1 1 9 9 TYR C C 9 174.260 174.260 175.977 -1.717 19667 1376 1 5 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.252 0.068 19667 1377 1 5 . 1 1 9 9 TYR CB C 9 42.770 42.770 40.611 2.159 19667 1378 1 5 . 1 1 9 9 TYR H H 9 7.760 7.760 8.353 -0.593 19667 1379 1 5 . 1 1 10 10 GLU N N 10 119.600 119.600 120.838 -1.238 19667 1380 1 5 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.706 -0.016 19667 1381 1 5 . 1 1 10 10 GLU C C 10 175.220 175.220 175.534 -0.314 19667 1382 1 5 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.587 -0.707 19667 1383 1 5 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.483 -2.753 19667 1384 1 5 . 1 1 10 10 GLU H H 10 8.710 8.710 8.962 -0.252 19667 1385 1 5 . 1 1 11 11 VAL N N 11 121.500 121.500 119.901 1.599 19667 1386 1 5 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.902 -0.682 19667 1387 1 5 . 1 1 11 11 VAL C C 11 177.320 177.320 177.383 -0.063 19667 1388 1 5 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.733 2.017 19667 1389 1 5 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.927 -0.426 19667 1390 1 5 . 1 1 11 11 VAL H H 11 8.600 8.600 8.542 0.058 19667 1391 1 5 . 1 1 12 12 GLY N N 12 115.830 115.830 114.750 1.080 19667 1392 1 5 . 1 1 12 12 GLY C C 12 173.830 173.830 173.978 -0.148 19667 1393 1 5 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.727 -0.017 19667 1394 1 5 . 1 1 12 12 GLY H H 12 8.990 8.990 8.901 0.089 19667 1395 1 5 . 1 1 13 13 GLU N N 13 121.780 121.780 121.081 0.699 19667 1396 1 5 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.484 -0.144 19667 1397 1 5 . 1 1 13 13 GLU C C 13 175.460 175.460 175.393 0.067 19667 1398 1 5 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.475 1.485 19667 1399 1 5 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.321 0.389 19667 1400 1 5 . 1 1 13 13 GLU H H 13 7.760 7.760 7.551 0.209 19667 1401 1 5 . 1 1 14 14 SER N N 14 119.230 119.230 116.908 2.322 19667 1402 1 5 . 1 1 14 14 SER HA H 14 5.350 5.350 5.436 -0.087 19667 1403 1 5 . 1 1 14 14 SER C C 14 173.600 173.600 174.018 -0.418 19667 1404 1 5 . 1 1 14 14 SER CA C 14 58.280 58.280 57.350 0.930 19667 1405 1 5 . 1 1 14 14 SER CB C 14 64.350 64.350 64.619 -0.269 19667 1406 1 5 . 1 1 14 14 SER H H 14 8.650 8.650 8.463 0.187 19667 1407 1 5 . 1 1 15 15 VAL N N 15 116.180 116.180 119.795 -3.615 19667 1408 1 5 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.976 0.034 19667 1409 1 5 . 1 1 15 15 VAL C C 15 174.220 174.220 174.473 -0.253 19667 1410 1 5 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.715 -0.905 19667 1411 1 5 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.424 1.256 19667 1412 1 5 . 1 1 15 15 VAL H H 15 8.920 8.920 8.966 -0.046 19667 1413 1 5 . 1 1 16 16 THR N N 16 116.710 116.710 118.131 -1.421 19667 1414 1 5 . 1 1 16 16 THR HA H 16 4.700 4.700 4.815 -0.115 19667 1415 1 5 . 1 1 16 16 THR C C 16 174.300 174.300 174.894 -0.594 19667 1416 1 5 . 1 1 16 16 THR CA C 16 61.850 61.850 61.730 0.120 19667 1417 1 5 . 1 1 16 16 THR CB C 16 70.070 70.070 69.809 0.260 19667 1418 1 5 . 1 1 16 16 THR H H 16 8.890 8.890 8.440 0.450 19667 1419 1 5 . 1 1 17 17 VAL N N 17 127.930 127.930 127.137 0.793 19667 1420 1 5 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.823 0.027 19667 1421 1 5 . 1 1 17 17 VAL C C 17 176.880 176.880 176.307 0.573 19667 1422 1 5 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.212 0.338 19667 1423 1 5 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.565 -0.875 19667 1424 1 5 . 1 1 17 17 VAL H H 17 8.820 8.820 8.843 -0.023 19667 1425 1 5 . 1 1 18 18 MET N N 18 124.420 124.420 126.109 -1.689 19667 1426 1 5 . 1 1 18 18 MET HA H 18 4.860 4.860 4.606 0.254 19667 1427 1 5 . 1 1 18 18 MET C C 18 175.360 175.360 175.567 -0.207 19667 1428 1 5 . 1 1 18 18 MET CA C 18 54.440 54.440 56.250 -1.810 19667 1429 1 5 . 1 1 18 18 MET CB C 18 32.720 32.720 33.744 -1.024 19667 1430 1 5 . 1 1 18 18 MET H H 18 9.070 9.070 8.723 0.347 19667 1431 1 5 . 1 1 19 19 ASP N N 19 118.000 118.000 118.507 -0.507 19667 1432 1 5 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.808 0.192 19667 1433 1 5 . 1 1 19 19 ASP C C 19 174.380 174.380 175.724 -1.344 19667 1434 1 5 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.396 -0.116 19667 1435 1 5 . 1 1 19 19 ASP CB C 19 46.230 46.230 43.425 2.804 19667 1436 1 5 . 1 1 19 19 ASP H H 19 7.380 7.380 7.618 -0.238 19667 1437 1 5 . 1 1 20 20 GLY N N 20 107.900 107.900 109.509 -1.609 19667 1438 1 5 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.619 0.651 19667 1439 1 5 . 1 1 20 20 GLY H H 20 8.280 8.280 8.060 0.220 19667 1440 1 5 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.342 -0.172 19667 1441 1 5 . 1 1 21 21 PRO C C 21 177.580 177.580 176.214 1.366 19667 1442 1 5 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.555 -0.155 19667 1443 1 5 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.667 0.003 19667 1444 1 5 . 1 1 22 22 PHE N N 22 116.800 116.800 117.004 -0.204 19667 1445 1 5 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.647 0.073 19667 1446 1 5 . 1 1 22 22 PHE C C 22 173.130 173.130 175.322 -2.192 19667 1447 1 5 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.393 -0.253 19667 1448 1 5 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.421 -1.471 19667 1449 1 5 . 1 1 22 22 PHE H H 22 8.870 8.870 7.775 1.095 19667 1450 1 5 . 1 1 23 23 ALA N N 23 120.160 120.160 122.190 -2.030 19667 1451 1 5 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.033 -0.443 19667 1452 1 5 . 1 1 23 23 ALA C C 23 178.830 178.830 177.811 1.019 19667 1453 1 5 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.325 0.245 19667 1454 1 5 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.879 -0.409 19667 1455 1 5 . 1 1 23 23 ALA H H 23 7.410 7.410 7.388 0.022 19667 1456 1 5 . 1 1 24 24 THR N N 24 114.390 114.390 113.315 1.075 19667 1457 1 5 . 1 1 24 24 THR HA H 24 4.060 4.060 3.883 0.177 19667 1458 1 5 . 1 1 24 24 THR C C 24 173.550 173.550 173.212 0.338 19667 1459 1 5 . 1 1 24 24 THR CA C 24 65.800 65.800 63.227 2.573 19667 1460 1 5 . 1 1 24 24 THR CB C 24 69.240 69.240 67.008 2.232 19667 1461 1 5 . 1 1 24 24 THR H H 24 9.140 9.140 8.939 0.201 19667 1462 1 5 . 1 1 25 25 LEU N N 25 124.680 124.680 119.939 4.741 19667 1463 1 5 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.867 -0.117 19667 1464 1 5 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.732 1.898 19667 1465 1 5 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.680 -5.370 19667 1466 1 5 . 1 1 25 25 LEU H H 25 8.090 8.090 7.560 0.530 19667 1467 1 5 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.784 0.366 19667 1468 1 5 . 1 1 26 26 PRO C C 26 176.040 176.040 175.726 0.314 19667 1469 1 5 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.646 -0.716 19667 1470 1 5 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.614 0.776 19667 1471 1 5 . 1 1 27 27 ALA N N 27 121.180 121.180 126.016 -4.836 19667 1472 1 5 . 1 1 27 27 ALA HA H 27 5.020 5.020 5.142 -0.122 19667 1473 1 5 . 1 1 27 27 ALA C C 27 176.000 176.000 175.706 0.294 19667 1474 1 5 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.568 0.032 19667 1475 1 5 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.359 0.761 19667 1476 1 5 . 1 1 27 27 ALA H H 27 8.970 8.970 9.009 -0.039 19667 1477 1 5 . 1 1 28 28 THR N N 28 113.950 113.950 116.516 -2.566 19667 1478 1 5 . 1 1 28 28 THR HA H 28 5.060 5.060 5.026 0.034 19667 1479 1 5 . 1 1 28 28 THR C C 28 174.890 174.890 174.525 0.365 19667 1480 1 5 . 1 1 28 28 THR CA C 28 60.810 60.810 61.510 -0.700 19667 1481 1 5 . 1 1 28 28 THR CB C 28 71.020 71.020 70.644 0.376 19667 1482 1 5 . 1 1 28 28 THR H H 28 7.960 7.960 8.444 -0.484 19667 1483 1 5 . 1 1 29 29 ILE N N 29 125.420 125.420 129.104 -3.684 19667 1484 1 5 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.238 -0.278 19667 1485 1 5 . 1 1 29 29 ILE C C 29 176.190 176.190 176.064 0.126 19667 1486 1 5 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.489 1.401 19667 1487 1 5 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.023 0.747 19667 1488 1 5 . 1 1 29 29 ILE H H 29 8.940 8.940 8.613 0.327 19667 1489 1 5 . 1 1 30 30 SER N N 30 126.420 126.420 124.076 2.344 19667 1490 1 5 . 1 1 30 30 SER HA H 30 4.720 4.720 4.502 0.218 19667 1491 1 5 . 1 1 30 30 SER C C 30 173.780 173.780 174.031 -0.251 19667 1492 1 5 . 1 1 30 30 SER CA C 30 59.130 59.130 59.138 -0.008 19667 1493 1 5 . 1 1 30 30 SER CB C 30 64.890 64.890 64.335 0.555 19667 1494 1 5 . 1 1 30 30 SER H H 30 9.750 9.750 8.403 1.347 19667 1495 1 5 . 1 1 31 31 GLU N N 31 120.570 120.570 120.909 -0.339 19667 1496 1 5 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.500 0.010 19667 1497 1 5 . 1 1 31 31 GLU C C 31 173.520 173.520 173.734 -0.214 19667 1498 1 5 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.665 0.865 19667 1499 1 5 . 1 1 31 31 GLU CB C 31 34.550 34.550 32.824 1.726 19667 1500 1 5 . 1 1 31 31 GLU H H 31 7.980 7.980 7.577 0.403 19667 1501 1 5 . 1 1 32 32 VAL N N 32 123.360 123.360 123.683 -0.323 19667 1502 1 5 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.351 0.009 19667 1503 1 5 . 1 1 32 32 VAL C C 32 174.100 174.100 174.157 -0.057 19667 1504 1 5 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.729 1.261 19667 1505 1 5 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.181 -0.221 19667 1506 1 5 . 1 1 32 32 VAL H H 32 8.920 8.920 8.437 0.483 19667 1507 1 5 . 1 1 33 33 ASN N N 33 126.240 126.240 127.756 -1.516 19667 1508 1 5 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.031 0.069 19667 1509 1 5 . 1 1 33 33 ASN C C 33 174.950 174.950 175.074 -0.124 19667 1510 1 5 . 1 1 33 33 ASN CA C 33 51.390 51.390 50.962 0.428 19667 1511 1 5 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.617 -0.107 19667 1512 1 5 . 1 1 33 33 ASN H H 33 8.880 8.880 9.383 -0.503 19667 1513 1 5 . 1 1 34 34 ALA N N 34 126.960 126.960 128.366 -1.406 19667 1514 1 5 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.263 -0.133 19667 1515 1 5 . 1 1 34 34 ALA C C 34 179.800 179.800 179.983 -0.183 19667 1516 1 5 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.959 0.671 19667 1517 1 5 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.841 -0.202 19667 1518 1 5 . 1 1 34 34 ALA H H 34 9.120 9.120 8.906 0.214 19667 1519 1 5 . 1 1 35 35 GLU N N 35 118.690 118.690 119.270 -0.580 19667 1520 1 5 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.075 -0.015 19667 1521 1 5 . 1 1 35 35 GLU C C 35 177.960 177.960 177.935 0.025 19667 1522 1 5 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.717 1.013 19667 1523 1 5 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.621 -0.291 19667 1524 1 5 . 1 1 35 35 GLU H H 35 8.710 8.710 8.467 0.243 19667 1525 1 5 . 1 1 36 36 GLN N N 36 113.480 113.480 115.788 -2.308 19667 1526 1 5 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.455 -0.165 19667 1527 1 5 . 1 1 36 36 GLN C C 36 173.890 173.890 174.356 -0.466 19667 1528 1 5 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.662 0.058 19667 1529 1 5 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.928 0.382 19667 1530 1 5 . 1 1 36 36 GLN H H 36 7.240 7.240 7.724 -0.484 19667 1531 1 5 . 1 1 37 37 GLN N N 37 116.180 116.180 115.023 1.157 19667 1532 1 5 . 1 1 37 37 GLN HA H 37 2.140 2.140 2.966 -0.826 19667 1533 1 5 . 1 1 37 37 GLN C C 37 174.570 174.570 173.989 0.581 19667 1534 1 5 . 1 1 37 37 GLN CA C 37 56.610 56.610 56.217 0.394 19667 1535 1 5 . 1 1 37 37 GLN CB C 37 25.740 25.740 25.805 -0.066 19667 1536 1 5 . 1 1 37 37 GLN H H 37 7.550 7.550 7.510 0.040 19667 1537 1 5 . 1 1 38 38 LYS N N 38 116.330 116.330 116.321 0.009 19667 1538 1 5 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.549 0.461 19667 1539 1 5 . 1 1 38 38 LYS C C 38 173.820 173.820 174.155 -0.335 19667 1540 1 5 . 1 1 38 38 LYS CA C 38 54.830 54.830 54.905 -0.075 19667 1541 1 5 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.610 1.190 19667 1542 1 5 . 1 1 38 38 LYS H H 38 7.790 7.790 7.883 -0.093 19667 1543 1 5 . 1 1 39 39 LEU N N 39 120.450 120.450 122.453 -2.003 19667 1544 1 5 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.858 0.182 19667 1545 1 5 . 1 1 39 39 LEU C C 39 175.870 175.870 174.176 1.694 19667 1546 1 5 . 1 1 39 39 LEU CA C 39 53.220 53.220 54.029 -0.809 19667 1547 1 5 . 1 1 39 39 LEU CB C 39 46.580 46.580 46.783 -0.203 19667 1548 1 5 . 1 1 39 39 LEU H H 39 9.340 9.340 9.184 0.156 19667 1549 1 5 . 1 1 40 40 LYS N N 40 120.660 120.660 123.036 -2.376 19667 1550 1 5 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.748 0.372 19667 1551 1 5 . 1 1 40 40 LYS C C 40 176.120 176.120 174.723 1.397 19667 1552 1 5 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.787 1.033 19667 1553 1 5 . 1 1 40 40 LYS CB C 40 34.380 34.380 36.001 -1.621 19667 1554 1 5 . 1 1 40 40 LYS H H 40 8.590 8.590 9.030 -0.440 19667 1555 1 5 . 1 1 41 41 VAL N N 41 117.680 117.680 120.262 -2.582 19667 1556 1 5 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.989 0.261 19667 1557 1 5 . 1 1 41 41 VAL C C 41 173.490 173.490 173.141 0.349 19667 1558 1 5 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.114 -1.464 19667 1559 1 5 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.706 -1.167 19667 1560 1 5 . 1 1 41 41 VAL H H 41 9.160 9.160 9.134 0.026 19667 1561 1 5 . 1 1 42 42 LEU N N 42 120.900 120.900 122.559 -1.659 19667 1562 1 5 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.695 0.135 19667 1563 1 5 . 1 1 42 42 LEU C C 42 176.810 176.810 174.532 2.278 19667 1564 1 5 . 1 1 42 42 LEU CA C 42 53.340 53.340 52.773 0.567 19667 1565 1 5 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.428 -1.138 19667 1566 1 5 . 1 1 42 42 LEU H H 42 8.970 8.970 9.062 -0.092 19667 1567 1 5 . 1 1 43 43 VAL N N 43 124.360 124.360 125.288 -0.928 19667 1568 1 5 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.285 0.085 19667 1569 1 5 . 1 1 43 43 VAL C C 43 174.820 174.820 174.297 0.523 19667 1570 1 5 . 1 1 43 43 VAL CA C 43 60.450 60.450 60.341 0.109 19667 1571 1 5 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.083 -0.083 19667 1572 1 5 . 1 1 43 43 VAL H H 43 8.670 8.670 7.968 0.702 19667 1573 1 5 . 1 1 44 44 SER N N 44 121.390 121.390 123.991 -2.601 19667 1574 1 5 . 1 1 44 44 SER HA H 44 4.770 4.770 4.638 0.132 19667 1575 1 5 . 1 1 44 44 SER C C 44 173.610 173.610 173.522 0.088 19667 1576 1 5 . 1 1 44 44 SER CA C 44 57.440 57.440 58.290 -0.850 19667 1577 1 5 . 1 1 44 44 SER CB C 44 63.070 63.070 63.683 -0.613 19667 1578 1 5 . 1 1 44 44 SER H H 44 8.870 8.870 8.544 0.326 19667 1579 1 5 . 1 1 45 45 ILE N N 45 126.730 126.730 124.222 2.508 19667 1580 1 5 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.464 -0.244 19667 1581 1 5 . 1 1 45 45 ILE CA C 45 59.970 59.970 59.822 0.148 19667 1582 1 5 . 1 1 45 45 ILE CB C 45 39.060 39.060 41.440 -2.380 19667 1583 1 5 . 1 1 45 45 ILE H H 45 8.320 8.320 9.093 -0.773 19667 1584 1 5 . 1 1 46 46 PHE N N 46 125.740 125.740 126.566 -0.826 19667 1585 1 5 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.195 0.155 19667 1586 1 5 . 1 1 46 46 PHE C C 46 176.020 176.020 176.852 -0.832 19667 1587 1 5 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.328 -0.818 19667 1588 1 5 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.836 -1.766 19667 1589 1 5 . 1 1 46 46 PHE H H 46 9.050 9.050 8.653 0.397 19667 1590 1 5 . 1 1 47 47 GLY N N 47 104.300 104.300 114.993 -10.693 19667 1591 1 5 . 1 1 47 47 GLY C C 47 173.560 173.560 173.398 0.162 19667 1592 1 5 . 1 1 47 47 GLY CA C 47 45.550 45.550 44.940 0.610 19667 1593 1 5 . 1 1 47 47 GLY H H 47 8.340 8.340 8.494 -0.154 19667 1594 1 5 . 1 1 48 48 ARG N N 48 120.650 120.650 118.453 2.197 19667 1595 1 5 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.433 0.217 19667 1596 1 5 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.304 -0.634 19667 1597 1 5 . 1 1 48 48 ARG CB C 48 31.910 31.910 34.242 -2.332 19667 1598 1 5 . 1 1 48 48 ARG H H 48 7.870 7.870 8.715 -0.845 19667 1599 1 5 . 1 1 49 49 GLU N N 49 126.100 126.100 126.009 0.091 19667 1600 1 5 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.243 -0.583 19667 1601 1 5 . 1 1 49 49 GLU C C 49 176.320 176.320 175.845 0.475 19667 1602 1 5 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.293 1.447 19667 1603 1 5 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.409 -2.119 19667 1604 1 5 . 1 1 49 49 GLU H H 49 8.790 8.790 8.630 0.160 19667 1605 1 5 . 1 1 50 50 THR N N 50 123.540 123.540 120.545 2.995 19667 1606 1 5 . 1 1 50 50 THR HA H 50 4.810 4.810 4.754 0.056 19667 1607 1 5 . 1 1 50 50 THR CA C 50 59.920 59.920 59.432 0.487 19667 1608 1 5 . 1 1 50 50 THR CB C 50 72.350 72.350 69.761 2.589 19667 1609 1 5 . 1 1 50 50 THR H H 50 9.110 9.110 8.170 0.940 19667 1610 1 5 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.493 0.837 19667 1611 1 5 . 1 1 51 51 PRO C C 51 176.800 176.800 175.595 1.205 19667 1612 1 5 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.428 -0.698 19667 1613 1 5 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.581 -0.471 19667 1614 1 5 . 1 1 52 52 VAL N N 52 123.010 123.010 122.196 0.814 19667 1615 1 5 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.488 -0.218 19667 1616 1 5 . 1 1 52 52 VAL C C 52 173.750 173.750 173.741 0.009 19667 1617 1 5 . 1 1 52 52 VAL CA C 52 61.380 61.380 59.523 1.857 19667 1618 1 5 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.768 0.122 19667 1619 1 5 . 1 1 52 52 VAL H H 52 9.110 9.110 8.973 0.137 19667 1620 1 5 . 1 1 53 53 GLU N N 53 126.730 126.730 126.625 0.105 19667 1621 1 5 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.530 0.670 19667 1622 1 5 . 1 1 53 53 GLU C C 53 174.980 174.980 174.996 -0.016 19667 1623 1 5 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.448 0.052 19667 1624 1 5 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.596 -0.186 19667 1625 1 5 . 1 1 53 53 GLU H H 53 8.570 8.570 8.611 -0.041 19667 1626 1 5 . 1 1 54 54 LEU N N 54 126.200 126.200 125.147 1.053 19667 1627 1 5 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.783 0.227 19667 1628 1 5 . 1 1 54 54 LEU C C 54 175.940 175.940 175.082 0.858 19667 1629 1 5 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.667 -0.267 19667 1630 1 5 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.584 0.776 19667 1631 1 5 . 1 1 54 54 LEU H H 54 8.850 8.850 8.965 -0.115 19667 1632 1 5 . 1 1 55 55 THR N N 55 111.050 111.050 112.191 -1.141 19667 1633 1 5 . 1 1 55 55 THR HA H 55 5.210 5.210 4.552 0.658 19667 1634 1 5 . 1 1 55 55 THR C C 55 176.450 176.450 174.946 1.504 19667 1635 1 5 . 1 1 55 55 THR CA C 55 60.760 60.760 60.110 0.650 19667 1636 1 5 . 1 1 55 55 THR CB C 55 70.930 70.930 70.024 0.906 19667 1637 1 5 . 1 1 55 55 THR H H 55 9.140 9.140 8.102 1.038 19667 1638 1 5 . 1 1 56 56 PHE N N 56 119.120 119.120 123.783 -4.663 19667 1639 1 5 . 1 1 56 56 PHE HA H 56 4.150 4.150 3.809 0.341 19667 1640 1 5 . 1 1 56 56 PHE CA C 56 58.570 58.570 59.093 -0.523 19667 1641 1 5 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.401 -0.571 19667 1642 1 5 . 1 1 56 56 PHE H H 56 8.100 8.100 8.083 0.017 19667 1643 1 5 . 1 1 57 57 GLY N N 57 103.400 103.400 112.938 -9.538 19667 1644 1 5 . 1 1 57 57 GLY C C 57 174.880 174.880 175.436 -0.556 19667 1645 1 5 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.401 0.399 19667 1646 1 5 . 1 1 57 57 GLY H H 57 8.360 8.360 8.502 -0.142 19667 1647 1 5 . 1 1 58 58 GLN N N 58 117.080 117.080 119.732 -2.652 19667 1648 1 5 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.285 0.105 19667 1649 1 5 . 1 1 58 58 GLN C C 58 174.120 174.120 175.191 -1.071 19667 1650 1 5 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.689 -0.319 19667 1651 1 5 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.015 3.025 19667 1652 1 5 . 1 1 58 58 GLN H H 58 7.790 7.790 8.428 -0.638 19667 1653 1 5 . 1 1 59 59 VAL N N 59 110.280 110.280 109.146 1.134 19667 1654 1 5 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.365 -0.115 19667 1655 1 5 . 1 1 59 59 VAL C C 59 173.600 173.600 174.042 -0.442 19667 1656 1 5 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.747 0.073 19667 1657 1 5 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.522 0.468 19667 1658 1 5 . 1 1 59 59 VAL H H 59 7.350 7.350 7.205 0.145 19667 1659 1 5 . 1 1 60 60 SER N N 60 112.630 112.630 116.324 -3.694 19667 1660 1 5 . 1 1 60 60 SER HA H 60 4.910 4.910 4.827 0.083 19667 1661 1 5 . 1 1 60 60 SER C C 60 173.830 173.830 173.974 -0.144 19667 1662 1 5 . 1 1 60 60 SER CA C 60 56.860 56.860 56.440 0.420 19667 1663 1 5 . 1 1 60 60 SER CB C 60 66.280 66.280 64.913 1.367 19667 1664 1 5 . 1 1 60 60 SER H H 60 8.510 8.510 8.445 0.065 19667 1665 1 5 . 1 1 61 61 LYS N N 61 124.640 124.640 125.546 -0.906 19667 1666 1 5 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.428 0.182 19667 1667 1 5 . 1 1 61 61 LYS C C 61 176.290 176.290 176.077 0.213 19667 1668 1 5 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.453 1.018 19667 1669 1 5 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.551 0.009 19667 1670 1 5 . 1 1 61 61 LYS H H 61 8.720 8.720 8.593 0.127 19667 1671 1 6 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.254 0.416 19667 1672 1 6 . 1 1 2 2 ARG CA C 2 54.250 54.250 55.886 -1.636 19667 1673 1 6 . 1 1 2 2 ARG CB C 2 30.250 30.250 29.239 1.011 19667 1674 1 6 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.432 0.058 19667 1675 1 6 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.576 0.594 19667 1676 1 6 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.551 -0.431 19667 1677 1 6 . 1 1 4 4 VAL N N 4 121.160 121.160 122.400 -1.240 19667 1678 1 6 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.327 -0.247 19667 1679 1 6 . 1 1 4 4 VAL C C 4 175.940 175.940 175.785 0.155 19667 1680 1 6 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.698 1.032 19667 1681 1 6 . 1 1 4 4 VAL CB C 4 32.740 32.740 33.156 -0.416 19667 1682 1 6 . 1 1 4 4 VAL H H 4 8.310 8.310 8.199 0.111 19667 1683 1 6 . 1 1 5 5 VAL N N 5 123.660 123.660 126.928 -3.268 19667 1684 1 6 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.299 -0.099 19667 1685 1 6 . 1 1 5 5 VAL C C 5 175.520 175.520 175.416 0.104 19667 1686 1 6 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.653 0.287 19667 1687 1 6 . 1 1 5 5 VAL CB C 5 33.130 33.130 33.419 -0.289 19667 1688 1 6 . 1 1 5 5 VAL H H 5 8.160 8.160 8.306 -0.146 19667 1689 1 6 . 1 1 6 6 GLU N N 6 125.610 125.610 125.694 -0.084 19667 1690 1 6 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.605 -0.275 19667 1691 1 6 . 1 1 6 6 GLU C C 6 175.520 175.520 175.228 0.292 19667 1692 1 6 . 1 1 6 6 GLU CA C 6 56.560 56.560 55.276 1.284 19667 1693 1 6 . 1 1 6 6 GLU CB C 6 30.160 30.160 31.467 -1.307 19667 1694 1 6 . 1 1 6 6 GLU H H 6 8.530 8.530 8.484 0.046 19667 1695 1 6 . 1 1 7 7 VAL N N 7 119.540 119.540 119.540 0.000 19667 1696 1 6 . 1 1 7 7 VAL HA H 7 4.170 4.170 3.986 0.184 19667 1697 1 6 . 1 1 7 7 VAL C C 7 174.070 174.070 175.375 -1.305 19667 1698 1 6 . 1 1 7 7 VAL CA C 7 61.230 61.230 62.314 -1.084 19667 1699 1 6 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.168 1.462 19667 1700 1 6 . 1 1 7 7 VAL H H 7 8.030 8.030 8.270 -0.240 19667 1701 1 6 . 1 1 8 8 ASP N N 8 123.880 123.880 125.468 -1.588 19667 1702 1 6 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.918 -0.288 19667 1703 1 6 . 1 1 8 8 ASP C C 8 174.090 174.090 175.180 -1.090 19667 1704 1 6 . 1 1 8 8 ASP CA C 8 53.590 53.590 53.040 0.550 19667 1705 1 6 . 1 1 8 8 ASP CB C 8 42.410 42.410 44.411 -2.002 19667 1706 1 6 . 1 1 8 8 ASP H H 8 8.040 8.040 8.277 -0.237 19667 1707 1 6 . 1 1 9 9 TYR N N 9 118.630 118.630 119.944 -1.314 19667 1708 1 6 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.882 -0.112 19667 1709 1 6 . 1 1 9 9 TYR C C 9 174.260 174.260 176.071 -1.811 19667 1710 1 6 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.476 -0.156 19667 1711 1 6 . 1 1 9 9 TYR CB C 9 42.770 42.770 41.257 1.513 19667 1712 1 6 . 1 1 9 9 TYR H H 9 7.760 7.760 8.773 -1.013 19667 1713 1 6 . 1 1 10 10 GLU N N 10 119.600 119.600 121.845 -2.245 19667 1714 1 6 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.815 -0.125 19667 1715 1 6 . 1 1 10 10 GLU C C 10 175.220 175.220 175.481 -0.261 19667 1716 1 6 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.900 -1.020 19667 1717 1 6 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.569 -2.838 19667 1718 1 6 . 1 1 10 10 GLU H H 10 8.710 8.710 8.582 0.128 19667 1719 1 6 . 1 1 11 11 VAL N N 11 121.500 121.500 121.065 0.435 19667 1720 1 6 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.663 -0.443 19667 1721 1 6 . 1 1 11 11 VAL C C 11 177.320 177.320 177.167 0.153 19667 1722 1 6 . 1 1 11 11 VAL CA C 11 65.750 65.750 64.518 1.232 19667 1723 1 6 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.550 -0.050 19667 1724 1 6 . 1 1 11 11 VAL H H 11 8.600 8.600 8.561 0.039 19667 1725 1 6 . 1 1 12 12 GLY N N 12 115.830 115.830 115.614 0.216 19667 1726 1 6 . 1 1 12 12 GLY C C 12 173.830 173.830 173.756 0.074 19667 1727 1 6 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.697 0.013 19667 1728 1 6 . 1 1 12 12 GLY H H 12 8.990 8.990 8.669 0.321 19667 1729 1 6 . 1 1 13 13 GLU N N 13 121.780 121.780 120.936 0.844 19667 1730 1 6 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.525 -0.185 19667 1731 1 6 . 1 1 13 13 GLU C C 13 175.460 175.460 175.304 0.156 19667 1732 1 6 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.468 1.492 19667 1733 1 6 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.680 0.030 19667 1734 1 6 . 1 1 13 13 GLU H H 13 7.760 7.760 7.650 0.110 19667 1735 1 6 . 1 1 14 14 SER N N 14 119.230 119.230 117.578 1.652 19667 1736 1 6 . 1 1 14 14 SER HA H 14 5.350 5.350 5.316 0.034 19667 1737 1 6 . 1 1 14 14 SER C C 14 173.600 173.600 173.519 0.081 19667 1738 1 6 . 1 1 14 14 SER CA C 14 58.280 58.280 57.284 0.996 19667 1739 1 6 . 1 1 14 14 SER CB C 14 64.350 64.350 64.343 0.007 19667 1740 1 6 . 1 1 14 14 SER H H 14 8.650 8.650 8.561 0.089 19667 1741 1 6 . 1 1 15 15 VAL N N 15 116.180 116.180 120.165 -3.985 19667 1742 1 6 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.713 0.297 19667 1743 1 6 . 1 1 15 15 VAL C C 15 174.220 174.220 174.447 -0.227 19667 1744 1 6 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.441 -0.631 19667 1745 1 6 . 1 1 15 15 VAL CB C 15 36.680 36.680 34.939 1.741 19667 1746 1 6 . 1 1 15 15 VAL H H 15 8.920 8.920 9.002 -0.082 19667 1747 1 6 . 1 1 16 16 THR N N 16 116.710 116.710 119.233 -2.523 19667 1748 1 6 . 1 1 16 16 THR HA H 16 4.700 4.700 4.842 -0.142 19667 1749 1 6 . 1 1 16 16 THR C C 16 174.300 174.300 174.945 -0.645 19667 1750 1 6 . 1 1 16 16 THR CA C 16 61.850 61.850 61.693 0.157 19667 1751 1 6 . 1 1 16 16 THR CB C 16 70.070 70.070 69.480 0.590 19667 1752 1 6 . 1 1 16 16 THR H H 16 8.890 8.890 8.804 0.086 19667 1753 1 6 . 1 1 17 17 VAL N N 17 127.930 127.930 125.599 2.331 19667 1754 1 6 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.865 -0.015 19667 1755 1 6 . 1 1 17 17 VAL C C 17 176.880 176.880 175.607 1.273 19667 1756 1 6 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.207 0.343 19667 1757 1 6 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.991 -1.301 19667 1758 1 6 . 1 1 17 17 VAL H H 17 8.820 8.820 8.934 -0.114 19667 1759 1 6 . 1 1 18 18 MET N N 18 124.420 124.420 124.873 -0.453 19667 1760 1 6 . 1 1 18 18 MET HA H 18 4.860 4.860 4.633 0.227 19667 1761 1 6 . 1 1 18 18 MET C C 18 175.360 175.360 175.463 -0.103 19667 1762 1 6 . 1 1 18 18 MET CA C 18 54.440 54.440 56.723 -2.283 19667 1763 1 6 . 1 1 18 18 MET CB C 18 32.720 32.720 34.693 -1.973 19667 1764 1 6 . 1 1 18 18 MET H H 18 9.070 9.070 8.605 0.465 19667 1765 1 6 . 1 1 19 19 ASP N N 19 118.000 118.000 120.458 -2.458 19667 1766 1 6 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.776 0.224 19667 1767 1 6 . 1 1 19 19 ASP C C 19 174.380 174.380 176.608 -2.228 19667 1768 1 6 . 1 1 19 19 ASP CA C 19 53.280 53.280 54.121 -0.841 19667 1769 1 6 . 1 1 19 19 ASP CB C 19 46.230 46.230 41.472 4.758 19667 1770 1 6 . 1 1 19 19 ASP H H 19 7.380 7.380 7.679 -0.299 19667 1771 1 6 . 1 1 20 20 GLY N N 20 107.900 107.900 111.628 -3.728 19667 1772 1 6 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.575 0.695 19667 1773 1 6 . 1 1 20 20 GLY H H 20 8.280 8.280 7.970 0.310 19667 1774 1 6 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.323 -0.153 19667 1775 1 6 . 1 1 21 21 PRO C C 21 177.580 177.580 176.243 1.337 19667 1776 1 6 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.413 -0.013 19667 1777 1 6 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.616 0.054 19667 1778 1 6 . 1 1 22 22 PHE N N 22 116.800 116.800 117.278 -0.478 19667 1779 1 6 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.572 0.148 19667 1780 1 6 . 1 1 22 22 PHE C C 22 173.130 173.130 175.382 -2.252 19667 1781 1 6 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.327 -0.187 19667 1782 1 6 . 1 1 22 22 PHE CB C 22 36.950 36.950 37.949 -0.999 19667 1783 1 6 . 1 1 22 22 PHE H H 22 8.870 8.870 7.613 1.257 19667 1784 1 6 . 1 1 23 23 ALA N N 23 120.160 120.160 121.556 -1.396 19667 1785 1 6 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.018 -0.428 19667 1786 1 6 . 1 1 23 23 ALA C C 23 178.830 178.830 177.884 0.946 19667 1787 1 6 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.222 0.348 19667 1788 1 6 . 1 1 23 23 ALA CB C 23 18.470 18.470 19.006 -0.536 19667 1789 1 6 . 1 1 23 23 ALA H H 23 7.410 7.410 7.280 0.130 19667 1790 1 6 . 1 1 24 24 THR N N 24 114.390 114.390 113.947 0.443 19667 1791 1 6 . 1 1 24 24 THR HA H 24 4.060 4.060 3.846 0.214 19667 1792 1 6 . 1 1 24 24 THR C C 24 173.550 173.550 173.329 0.221 19667 1793 1 6 . 1 1 24 24 THR CA C 24 65.800 65.800 63.391 2.409 19667 1794 1 6 . 1 1 24 24 THR CB C 24 69.240 69.240 67.053 2.187 19667 1795 1 6 . 1 1 24 24 THR H H 24 9.140 9.140 8.985 0.155 19667 1796 1 6 . 1 1 25 25 LEU N N 25 124.680 124.680 119.698 4.982 19667 1797 1 6 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.875 -0.125 19667 1798 1 6 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.963 1.667 19667 1799 1 6 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.671 -5.361 19667 1800 1 6 . 1 1 25 25 LEU H H 25 8.090 8.090 7.521 0.569 19667 1801 1 6 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.430 0.720 19667 1802 1 6 . 1 1 26 26 PRO C C 26 176.040 176.040 175.448 0.592 19667 1803 1 6 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.727 -0.797 19667 1804 1 6 . 1 1 26 26 PRO CB C 26 32.390 32.390 32.016 0.374 19667 1805 1 6 . 1 1 27 27 ALA N N 27 121.180 121.180 124.216 -3.036 19667 1806 1 6 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.925 0.095 19667 1807 1 6 . 1 1 27 27 ALA C C 27 176.000 176.000 175.637 0.363 19667 1808 1 6 . 1 1 27 27 ALA CA C 27 50.600 50.600 51.028 -0.428 19667 1809 1 6 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.108 1.012 19667 1810 1 6 . 1 1 27 27 ALA H H 27 8.970 8.970 8.494 0.476 19667 1811 1 6 . 1 1 28 28 THR N N 28 113.950 113.950 116.964 -3.014 19667 1812 1 6 . 1 1 28 28 THR HA H 28 5.060 5.060 4.991 0.069 19667 1813 1 6 . 1 1 28 28 THR C C 28 174.890 174.890 174.572 0.318 19667 1814 1 6 . 1 1 28 28 THR CA C 28 60.810 60.810 61.317 -0.507 19667 1815 1 6 . 1 1 28 28 THR CB C 28 71.020 71.020 70.083 0.937 19667 1816 1 6 . 1 1 28 28 THR H H 28 7.960 7.960 8.352 -0.392 19667 1817 1 6 . 1 1 29 29 ILE N N 29 125.420 125.420 128.733 -3.313 19667 1818 1 6 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.052 -0.092 19667 1819 1 6 . 1 1 29 29 ILE C C 29 176.190 176.190 176.094 0.096 19667 1820 1 6 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.933 0.957 19667 1821 1 6 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.685 0.085 19667 1822 1 6 . 1 1 29 29 ILE H H 29 8.940 8.940 9.065 -0.125 19667 1823 1 6 . 1 1 30 30 SER N N 30 126.420 126.420 123.922 2.498 19667 1824 1 6 . 1 1 30 30 SER HA H 30 4.720 4.720 4.608 0.112 19667 1825 1 6 . 1 1 30 30 SER C C 30 173.780 173.780 173.949 -0.169 19667 1826 1 6 . 1 1 30 30 SER CA C 30 59.130 59.130 58.336 0.794 19667 1827 1 6 . 1 1 30 30 SER CB C 30 64.890 64.890 64.531 0.359 19667 1828 1 6 . 1 1 30 30 SER H H 30 9.750 9.750 8.566 1.184 19667 1829 1 6 . 1 1 31 31 GLU N N 31 120.570 120.570 120.601 -0.031 19667 1830 1 6 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.579 -0.069 19667 1831 1 6 . 1 1 31 31 GLU C C 31 173.520 173.520 173.848 -0.328 19667 1832 1 6 . 1 1 31 31 GLU CA C 31 56.530 56.530 56.019 0.511 19667 1833 1 6 . 1 1 31 31 GLU CB C 31 34.550 34.550 34.619 -0.069 19667 1834 1 6 . 1 1 31 31 GLU H H 31 7.980 7.980 7.583 0.397 19667 1835 1 6 . 1 1 32 32 VAL N N 32 123.360 123.360 121.894 1.466 19667 1836 1 6 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.336 0.024 19667 1837 1 6 . 1 1 32 32 VAL C C 32 174.100 174.100 174.129 -0.029 19667 1838 1 6 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.356 1.634 19667 1839 1 6 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.175 -0.214 19667 1840 1 6 . 1 1 32 32 VAL H H 32 8.920 8.920 8.466 0.454 19667 1841 1 6 . 1 1 33 33 ASN N N 33 126.240 126.240 126.573 -0.333 19667 1842 1 6 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.056 0.044 19667 1843 1 6 . 1 1 33 33 ASN C C 33 174.950 174.950 175.150 -0.200 19667 1844 1 6 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.726 -0.336 19667 1845 1 6 . 1 1 33 33 ASN CB C 33 38.510 38.510 39.475 -0.965 19667 1846 1 6 . 1 1 33 33 ASN H H 33 8.880 8.880 9.182 -0.302 19667 1847 1 6 . 1 1 34 34 ALA N N 34 126.960 126.960 127.728 -0.768 19667 1848 1 6 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.170 -0.040 19667 1849 1 6 . 1 1 34 34 ALA C C 34 179.800 179.800 179.025 0.775 19667 1850 1 6 . 1 1 34 34 ALA CA C 34 55.630 55.630 55.062 0.568 19667 1851 1 6 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.747 -0.107 19667 1852 1 6 . 1 1 34 34 ALA H H 34 9.120 9.120 8.856 0.264 19667 1853 1 6 . 1 1 35 35 GLU N N 35 118.690 118.690 119.020 -0.330 19667 1854 1 6 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.069 -0.009 19667 1855 1 6 . 1 1 35 35 GLU C C 35 177.960 177.960 177.319 0.641 19667 1856 1 6 . 1 1 35 35 GLU CA C 35 59.730 59.730 59.001 0.729 19667 1857 1 6 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.076 0.254 19667 1858 1 6 . 1 1 35 35 GLU H H 35 8.710 8.710 8.686 0.024 19667 1859 1 6 . 1 1 36 36 GLN N N 36 113.480 113.480 115.968 -2.488 19667 1860 1 6 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.415 -0.125 19667 1861 1 6 . 1 1 36 36 GLN C C 36 173.890 173.890 174.783 -0.893 19667 1862 1 6 . 1 1 36 36 GLN CA C 36 54.720 54.720 55.342 -0.622 19667 1863 1 6 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.542 0.768 19667 1864 1 6 . 1 1 36 36 GLN H H 36 7.240 7.240 8.101 -0.861 19667 1865 1 6 . 1 1 37 37 GLN N N 37 116.180 116.180 114.503 1.677 19667 1866 1 6 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.091 -1.951 19667 1867 1 6 . 1 1 37 37 GLN C C 37 174.570 174.570 175.024 -0.454 19667 1868 1 6 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.080 -0.470 19667 1869 1 6 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.152 -0.412 19667 1870 1 6 . 1 1 37 37 GLN H H 37 7.550 7.550 7.683 -0.133 19667 1871 1 6 . 1 1 38 38 LYS N N 38 116.330 116.330 118.010 -1.680 19667 1872 1 6 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.694 0.316 19667 1873 1 6 . 1 1 38 38 LYS C C 38 173.820 173.820 174.499 -0.679 19667 1874 1 6 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.122 -0.292 19667 1875 1 6 . 1 1 38 38 LYS CB C 38 37.800 37.800 35.389 2.410 19667 1876 1 6 . 1 1 38 38 LYS H H 38 7.790 7.790 8.246 -0.456 19667 1877 1 6 . 1 1 39 39 LEU N N 39 120.450 120.450 126.261 -5.811 19667 1878 1 6 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.399 0.641 19667 1879 1 6 . 1 1 39 39 LEU C C 39 175.870 175.870 174.494 1.376 19667 1880 1 6 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.558 -0.338 19667 1881 1 6 . 1 1 39 39 LEU CB C 39 46.580 46.580 45.102 1.478 19667 1882 1 6 . 1 1 39 39 LEU H H 39 9.340 9.340 8.777 0.563 19667 1883 1 6 . 1 1 40 40 LYS N N 40 120.660 120.660 122.447 -1.787 19667 1884 1 6 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.726 0.394 19667 1885 1 6 . 1 1 40 40 LYS C C 40 176.120 176.120 175.358 0.762 19667 1886 1 6 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.992 0.828 19667 1887 1 6 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.069 -0.689 19667 1888 1 6 . 1 1 40 40 LYS H H 40 8.590 8.590 8.991 -0.401 19667 1889 1 6 . 1 1 41 41 VAL N N 41 117.680 117.680 117.130 0.550 19667 1890 1 6 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.847 0.403 19667 1891 1 6 . 1 1 41 41 VAL C C 41 173.490 173.490 173.676 -0.186 19667 1892 1 6 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.910 -2.260 19667 1893 1 6 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.666 -1.126 19667 1894 1 6 . 1 1 41 41 VAL H H 41 9.160 9.160 9.043 0.117 19667 1895 1 6 . 1 1 42 42 LEU N N 42 120.900 120.900 121.910 -1.010 19667 1896 1 6 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.606 0.224 19667 1897 1 6 . 1 1 42 42 LEU C C 42 176.810 176.810 175.234 1.576 19667 1898 1 6 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.445 -0.105 19667 1899 1 6 . 1 1 42 42 LEU CB C 42 43.290 43.290 43.679 -0.389 19667 1900 1 6 . 1 1 42 42 LEU H H 42 8.970 8.970 8.704 0.266 19667 1901 1 6 . 1 1 43 43 VAL N N 43 124.360 124.360 121.168 3.192 19667 1902 1 6 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.280 0.090 19667 1903 1 6 . 1 1 43 43 VAL C C 43 174.820 174.820 174.369 0.451 19667 1904 1 6 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.884 0.566 19667 1905 1 6 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.078 -0.078 19667 1906 1 6 . 1 1 43 43 VAL H H 43 8.670 8.670 7.827 0.843 19667 1907 1 6 . 1 1 44 44 SER N N 44 121.390 121.390 123.086 -1.696 19667 1908 1 6 . 1 1 44 44 SER HA H 44 4.770 4.770 4.567 0.203 19667 1909 1 6 . 1 1 44 44 SER C C 44 173.610 173.610 173.502 0.108 19667 1910 1 6 . 1 1 44 44 SER CA C 44 57.440 57.440 57.465 -0.025 19667 1911 1 6 . 1 1 44 44 SER CB C 44 63.070 63.070 63.560 -0.490 19667 1912 1 6 . 1 1 44 44 SER H H 44 8.870 8.870 8.516 0.354 19667 1913 1 6 . 1 1 45 45 ILE N N 45 126.730 126.730 126.300 0.430 19667 1914 1 6 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.091 0.129 19667 1915 1 6 . 1 1 45 45 ILE CA C 45 59.970 59.970 58.490 1.480 19667 1916 1 6 . 1 1 45 45 ILE CB C 45 39.060 39.060 39.967 -0.907 19667 1917 1 6 . 1 1 45 45 ILE H H 45 8.320 8.320 9.027 -0.708 19667 1918 1 6 . 1 1 46 46 PHE N N 46 125.740 125.740 123.612 2.128 19667 1919 1 6 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.331 0.019 19667 1920 1 6 . 1 1 46 46 PHE C C 46 176.020 176.020 177.181 -1.161 19667 1921 1 6 . 1 1 46 46 PHE CA C 46 58.510 58.510 58.900 -0.390 19667 1922 1 6 . 1 1 46 46 PHE CB C 46 37.070 37.070 37.648 -0.578 19667 1923 1 6 . 1 1 46 46 PHE H H 46 9.050 9.050 7.965 1.085 19667 1924 1 6 . 1 1 47 47 GLY N N 47 104.300 104.300 112.590 -8.290 19667 1925 1 6 . 1 1 47 47 GLY C C 47 173.560 173.560 173.515 0.045 19667 1926 1 6 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.060 0.490 19667 1927 1 6 . 1 1 47 47 GLY H H 47 8.340 8.340 8.695 -0.355 19667 1928 1 6 . 1 1 48 48 ARG N N 48 120.650 120.650 118.359 2.291 19667 1929 1 6 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.349 0.301 19667 1930 1 6 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.662 -0.992 19667 1931 1 6 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.247 -1.337 19667 1932 1 6 . 1 1 48 48 ARG H H 48 7.870 7.870 8.449 -0.579 19667 1933 1 6 . 1 1 49 49 GLU N N 49 126.100 126.100 126.273 -0.173 19667 1934 1 6 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.156 -0.496 19667 1935 1 6 . 1 1 49 49 GLU C C 49 176.320 176.320 175.677 0.643 19667 1936 1 6 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.414 1.326 19667 1937 1 6 . 1 1 49 49 GLU CB C 49 30.290 30.290 33.017 -2.727 19667 1938 1 6 . 1 1 49 49 GLU H H 49 8.790 8.790 8.669 0.121 19667 1939 1 6 . 1 1 50 50 THR N N 50 123.540 123.540 120.360 3.180 19667 1940 1 6 . 1 1 50 50 THR HA H 50 4.810 4.810 4.720 0.090 19667 1941 1 6 . 1 1 50 50 THR CA C 50 59.920 59.920 58.928 0.992 19667 1942 1 6 . 1 1 50 50 THR CB C 50 72.350 72.350 70.059 2.291 19667 1943 1 6 . 1 1 50 50 THR H H 50 9.110 9.110 8.057 1.053 19667 1944 1 6 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.361 0.969 19667 1945 1 6 . 1 1 51 51 PRO C C 51 176.800 176.800 175.684 1.116 19667 1946 1 6 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.563 -0.834 19667 1947 1 6 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.332 -0.222 19667 1948 1 6 . 1 1 52 52 VAL N N 52 123.010 123.010 121.913 1.097 19667 1949 1 6 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.344 -0.074 19667 1950 1 6 . 1 1 52 52 VAL C C 52 173.750 173.750 174.272 -0.522 19667 1951 1 6 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.992 0.388 19667 1952 1 6 . 1 1 52 52 VAL CB C 52 35.890 35.890 36.195 -0.305 19667 1953 1 6 . 1 1 52 52 VAL H H 52 9.110 9.110 8.979 0.131 19667 1954 1 6 . 1 1 53 53 GLU N N 53 126.730 126.730 126.483 0.247 19667 1955 1 6 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.393 0.807 19667 1956 1 6 . 1 1 53 53 GLU C C 53 174.980 174.980 175.076 -0.096 19667 1957 1 6 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.984 -0.484 19667 1958 1 6 . 1 1 53 53 GLU CB C 53 31.410 31.410 30.990 0.420 19667 1959 1 6 . 1 1 53 53 GLU H H 53 8.570 8.570 8.560 0.010 19667 1960 1 6 . 1 1 54 54 LEU N N 54 126.200 126.200 126.281 -0.081 19667 1961 1 6 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.836 0.174 19667 1962 1 6 . 1 1 54 54 LEU C C 54 175.940 175.940 175.685 0.255 19667 1963 1 6 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.378 0.022 19667 1964 1 6 . 1 1 54 54 LEU CB C 54 47.360 47.360 47.071 0.289 19667 1965 1 6 . 1 1 54 54 LEU H H 54 8.850 8.850 8.937 -0.087 19667 1966 1 6 . 1 1 55 55 THR N N 55 111.050 111.050 110.754 0.296 19667 1967 1 6 . 1 1 55 55 THR HA H 55 5.210 5.210 4.560 0.650 19667 1968 1 6 . 1 1 55 55 THR C C 55 176.450 176.450 174.758 1.692 19667 1969 1 6 . 1 1 55 55 THR CA C 55 60.760 60.760 59.958 0.802 19667 1970 1 6 . 1 1 55 55 THR CB C 55 70.930 70.930 71.387 -0.457 19667 1971 1 6 . 1 1 55 55 THR H H 55 9.140 9.140 8.259 0.881 19667 1972 1 6 . 1 1 56 56 PHE N N 56 119.120 119.120 121.365 -2.245 19667 1973 1 6 . 1 1 56 56 PHE HA H 56 4.150 4.150 3.965 0.185 19667 1974 1 6 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.456 -1.886 19667 1975 1 6 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.817 -0.987 19667 1976 1 6 . 1 1 56 56 PHE H H 56 8.100 8.100 8.461 -0.361 19667 1977 1 6 . 1 1 57 57 GLY N N 57 103.400 103.400 112.509 -9.109 19667 1978 1 6 . 1 1 57 57 GLY C C 57 174.880 174.880 175.133 -0.253 19667 1979 1 6 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.326 0.474 19667 1980 1 6 . 1 1 57 57 GLY H H 57 8.360 8.360 8.605 -0.245 19667 1981 1 6 . 1 1 58 58 GLN N N 58 117.080 117.080 119.148 -2.068 19667 1982 1 6 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.334 0.056 19667 1983 1 6 . 1 1 58 58 GLN C C 58 174.120 174.120 175.146 -1.026 19667 1984 1 6 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.925 -0.555 19667 1985 1 6 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.417 2.623 19667 1986 1 6 . 1 1 58 58 GLN H H 58 7.790 7.790 7.894 -0.104 19667 1987 1 6 . 1 1 59 59 VAL N N 59 110.280 110.280 110.170 0.110 19667 1988 1 6 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.218 0.032 19667 1989 1 6 . 1 1 59 59 VAL C C 59 173.600 173.600 173.860 -0.260 19667 1990 1 6 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.699 0.121 19667 1991 1 6 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.241 0.749 19667 1992 1 6 . 1 1 59 59 VAL H H 59 7.350 7.350 7.218 0.132 19667 1993 1 6 . 1 1 60 60 SER N N 60 112.630 112.630 117.228 -4.598 19667 1994 1 6 . 1 1 60 60 SER HA H 60 4.910 4.910 4.948 -0.038 19667 1995 1 6 . 1 1 60 60 SER C C 60 173.830 173.830 174.367 -0.537 19667 1996 1 6 . 1 1 60 60 SER CA C 60 56.860 56.860 56.311 0.549 19667 1997 1 6 . 1 1 60 60 SER CB C 60 66.280 66.280 65.124 1.156 19667 1998 1 6 . 1 1 60 60 SER H H 60 8.510 8.510 8.517 -0.007 19667 1999 1 6 . 1 1 61 61 LYS N N 61 124.640 124.640 126.176 -1.536 19667 2000 1 6 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.322 0.288 19667 2001 1 6 . 1 1 61 61 LYS C C 61 176.290 176.290 176.580 -0.290 19667 2002 1 6 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.619 0.851 19667 2003 1 6 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.301 0.259 19667 2004 1 6 . 1 1 61 61 LYS H H 61 8.720 8.720 8.637 0.083 19667 2005 1 7 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.970 -0.300 19667 2006 1 7 . 1 1 2 2 ARG CA C 2 54.250 54.250 54.727 -0.477 19667 2007 1 7 . 1 1 2 2 ARG CB C 2 30.250 30.250 32.245 -1.995 19667 2008 1 7 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.635 -0.145 19667 2009 1 7 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.672 0.498 19667 2010 1 7 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.450 -0.330 19667 2011 1 7 . 1 1 4 4 VAL N N 4 121.160 121.160 123.261 -2.101 19667 2012 1 7 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.429 -0.349 19667 2013 1 7 . 1 1 4 4 VAL C C 4 175.940 175.940 175.545 0.395 19667 2014 1 7 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.538 1.192 19667 2015 1 7 . 1 1 4 4 VAL CB C 4 32.740 32.740 33.384 -0.644 19667 2016 1 7 . 1 1 4 4 VAL H H 4 8.310 8.310 8.161 0.149 19667 2017 1 7 . 1 1 5 5 VAL N N 5 123.660 123.660 123.054 0.606 19667 2018 1 7 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.551 -0.351 19667 2019 1 7 . 1 1 5 5 VAL C C 5 175.520 175.520 174.854 0.666 19667 2020 1 7 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.226 0.714 19667 2021 1 7 . 1 1 5 5 VAL CB C 5 33.130 33.130 33.626 -0.496 19667 2022 1 7 . 1 1 5 5 VAL H H 5 8.160 8.160 8.285 -0.125 19667 2023 1 7 . 1 1 6 6 GLU N N 6 125.610 125.610 124.895 0.715 19667 2024 1 7 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.604 -0.274 19667 2025 1 7 . 1 1 6 6 GLU C C 6 175.520 175.520 175.446 0.074 19667 2026 1 7 . 1 1 6 6 GLU CA C 6 56.560 56.560 55.798 0.762 19667 2027 1 7 . 1 1 6 6 GLU CB C 6 30.160 30.160 31.301 -1.141 19667 2028 1 7 . 1 1 6 6 GLU H H 6 8.530 8.530 8.412 0.118 19667 2029 1 7 . 1 1 7 7 VAL N N 7 119.540 119.540 124.273 -4.733 19667 2030 1 7 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.112 0.058 19667 2031 1 7 . 1 1 7 7 VAL C C 7 174.070 174.070 174.577 -0.507 19667 2032 1 7 . 1 1 7 7 VAL CA C 7 61.230 61.230 61.477 -0.247 19667 2033 1 7 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.796 0.834 19667 2034 1 7 . 1 1 7 7 VAL H H 7 8.030 8.030 8.294 -0.264 19667 2035 1 7 . 1 1 8 8 ASP N N 8 123.880 123.880 124.885 -1.005 19667 2036 1 7 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.844 -0.214 19667 2037 1 7 . 1 1 8 8 ASP C C 8 174.090 174.090 174.771 -0.681 19667 2038 1 7 . 1 1 8 8 ASP CA C 8 53.590 53.590 53.020 0.570 19667 2039 1 7 . 1 1 8 8 ASP CB C 8 42.410 42.410 43.244 -0.834 19667 2040 1 7 . 1 1 8 8 ASP H H 8 8.040 8.040 8.327 -0.287 19667 2041 1 7 . 1 1 9 9 TYR N N 9 118.630 118.630 121.091 -2.461 19667 2042 1 7 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.913 -0.143 19667 2043 1 7 . 1 1 9 9 TYR C C 9 174.260 174.260 176.052 -1.792 19667 2044 1 7 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.118 0.202 19667 2045 1 7 . 1 1 9 9 TYR CB C 9 42.770 42.770 41.119 1.651 19667 2046 1 7 . 1 1 9 9 TYR H H 9 7.760 7.760 8.822 -1.062 19667 2047 1 7 . 1 1 10 10 GLU N N 10 119.600 119.600 119.977 -0.377 19667 2048 1 7 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.725 -0.035 19667 2049 1 7 . 1 1 10 10 GLU C C 10 175.220 175.220 175.559 -0.339 19667 2050 1 7 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.630 -0.750 19667 2051 1 7 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.397 -2.667 19667 2052 1 7 . 1 1 10 10 GLU H H 10 8.710 8.710 8.923 -0.213 19667 2053 1 7 . 1 1 11 11 VAL N N 11 121.500 121.500 119.996 1.504 19667 2054 1 7 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.849 -0.629 19667 2055 1 7 . 1 1 11 11 VAL C C 11 177.320 177.320 177.661 -0.341 19667 2056 1 7 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.773 1.977 19667 2057 1 7 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.756 -0.256 19667 2058 1 7 . 1 1 11 11 VAL H H 11 8.600 8.600 8.578 0.022 19667 2059 1 7 . 1 1 12 12 GLY N N 12 115.830 115.830 114.950 0.880 19667 2060 1 7 . 1 1 12 12 GLY C C 12 173.830 173.830 173.770 0.060 19667 2061 1 7 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.725 -0.015 19667 2062 1 7 . 1 1 12 12 GLY H H 12 8.990 8.990 8.593 0.397 19667 2063 1 7 . 1 1 13 13 GLU N N 13 121.780 121.780 121.226 0.554 19667 2064 1 7 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.496 -0.156 19667 2065 1 7 . 1 1 13 13 GLU C C 13 175.460 175.460 175.187 0.273 19667 2066 1 7 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.801 1.159 19667 2067 1 7 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.545 0.165 19667 2068 1 7 . 1 1 13 13 GLU H H 13 7.760 7.760 7.610 0.150 19667 2069 1 7 . 1 1 14 14 SER N N 14 119.230 119.230 117.160 2.070 19667 2070 1 7 . 1 1 14 14 SER HA H 14 5.350 5.350 5.470 -0.120 19667 2071 1 7 . 1 1 14 14 SER C C 14 173.600 173.600 174.081 -0.481 19667 2072 1 7 . 1 1 14 14 SER CA C 14 58.280 58.280 57.112 1.168 19667 2073 1 7 . 1 1 14 14 SER CB C 14 64.350 64.350 64.254 0.096 19667 2074 1 7 . 1 1 14 14 SER H H 14 8.650 8.650 8.466 0.184 19667 2075 1 7 . 1 1 15 15 VAL N N 15 116.180 116.180 119.455 -3.275 19667 2076 1 7 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.988 0.022 19667 2077 1 7 . 1 1 15 15 VAL C C 15 174.220 174.220 174.569 -0.349 19667 2078 1 7 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.426 -0.616 19667 2079 1 7 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.864 0.816 19667 2080 1 7 . 1 1 15 15 VAL H H 15 8.920 8.920 9.055 -0.135 19667 2081 1 7 . 1 1 16 16 THR N N 16 116.710 116.710 117.745 -1.035 19667 2082 1 7 . 1 1 16 16 THR HA H 16 4.700 4.700 4.854 -0.154 19667 2083 1 7 . 1 1 16 16 THR C C 16 174.300 174.300 174.986 -0.686 19667 2084 1 7 . 1 1 16 16 THR CA C 16 61.850 61.850 62.303 -0.453 19667 2085 1 7 . 1 1 16 16 THR CB C 16 70.070 70.070 70.112 -0.042 19667 2086 1 7 . 1 1 16 16 THR H H 16 8.890 8.890 8.514 0.376 19667 2087 1 7 . 1 1 17 17 VAL N N 17 127.930 127.930 127.216 0.714 19667 2088 1 7 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.717 0.133 19667 2089 1 7 . 1 1 17 17 VAL C C 17 176.880 176.880 175.896 0.984 19667 2090 1 7 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.675 -0.125 19667 2091 1 7 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.675 -0.985 19667 2092 1 7 . 1 1 17 17 VAL H H 17 8.820 8.820 8.994 -0.174 19667 2093 1 7 . 1 1 18 18 MET N N 18 124.420 124.420 126.193 -1.773 19667 2094 1 7 . 1 1 18 18 MET HA H 18 4.860 4.860 4.617 0.243 19667 2095 1 7 . 1 1 18 18 MET C C 18 175.360 175.360 175.657 -0.297 19667 2096 1 7 . 1 1 18 18 MET CA C 18 54.440 54.440 56.294 -1.854 19667 2097 1 7 . 1 1 18 18 MET CB C 18 32.720 32.720 33.807 -1.087 19667 2098 1 7 . 1 1 18 18 MET H H 18 9.070 9.070 8.681 0.389 19667 2099 1 7 . 1 1 19 19 ASP N N 19 118.000 118.000 118.696 -0.696 19667 2100 1 7 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.807 0.193 19667 2101 1 7 . 1 1 19 19 ASP C C 19 174.380 174.380 175.848 -1.468 19667 2102 1 7 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.499 -0.220 19667 2103 1 7 . 1 1 19 19 ASP CB C 19 46.230 46.230 43.191 3.039 19667 2104 1 7 . 1 1 19 19 ASP H H 19 7.380 7.380 7.645 -0.265 19667 2105 1 7 . 1 1 20 20 GLY N N 20 107.900 107.900 110.354 -2.454 19667 2106 1 7 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.588 0.682 19667 2107 1 7 . 1 1 20 20 GLY H H 20 8.280 8.280 8.026 0.254 19667 2108 1 7 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.342 -0.172 19667 2109 1 7 . 1 1 21 21 PRO C C 21 177.580 177.580 176.350 1.230 19667 2110 1 7 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.505 -0.105 19667 2111 1 7 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.676 -0.006 19667 2112 1 7 . 1 1 22 22 PHE N N 22 116.800 116.800 117.239 -0.439 19667 2113 1 7 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.606 0.114 19667 2114 1 7 . 1 1 22 22 PHE C C 22 173.130 173.130 175.430 -2.300 19667 2115 1 7 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.490 -0.351 19667 2116 1 7 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.129 -1.179 19667 2117 1 7 . 1 1 22 22 PHE H H 22 8.870 8.870 7.710 1.160 19667 2118 1 7 . 1 1 23 23 ALA N N 23 120.160 120.160 121.679 -1.519 19667 2119 1 7 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.010 -0.420 19667 2120 1 7 . 1 1 23 23 ALA C C 23 178.830 178.830 177.909 0.921 19667 2121 1 7 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.273 0.297 19667 2122 1 7 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.995 -0.525 19667 2123 1 7 . 1 1 23 23 ALA H H 23 7.410 7.410 7.338 0.072 19667 2124 1 7 . 1 1 24 24 THR N N 24 114.390 114.390 113.234 1.156 19667 2125 1 7 . 1 1 24 24 THR HA H 24 4.060 4.060 3.930 0.130 19667 2126 1 7 . 1 1 24 24 THR C C 24 173.550 173.550 173.219 0.331 19667 2127 1 7 . 1 1 24 24 THR CA C 24 65.800 65.800 63.525 2.275 19667 2128 1 7 . 1 1 24 24 THR CB C 24 69.240 69.240 66.735 2.505 19667 2129 1 7 . 1 1 24 24 THR H H 24 9.140 9.140 8.774 0.366 19667 2130 1 7 . 1 1 25 25 LEU N N 25 124.680 124.680 119.738 4.942 19667 2131 1 7 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.864 -0.114 19667 2132 1 7 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.822 1.808 19667 2133 1 7 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.703 -5.393 19667 2134 1 7 . 1 1 25 25 LEU H H 25 8.090 8.090 7.564 0.526 19667 2135 1 7 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.780 0.370 19667 2136 1 7 . 1 1 26 26 PRO C C 26 176.040 176.040 175.701 0.339 19667 2137 1 7 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.622 -0.692 19667 2138 1 7 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.688 0.702 19667 2139 1 7 . 1 1 27 27 ALA N N 27 121.180 121.180 125.503 -4.323 19667 2140 1 7 . 1 1 27 27 ALA HA H 27 5.020 5.020 5.070 -0.050 19667 2141 1 7 . 1 1 27 27 ALA C C 27 176.000 176.000 175.626 0.374 19667 2142 1 7 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.556 0.043 19667 2143 1 7 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.173 0.947 19667 2144 1 7 . 1 1 27 27 ALA H H 27 8.970 8.970 8.991 -0.021 19667 2145 1 7 . 1 1 28 28 THR N N 28 113.950 113.950 117.066 -3.116 19667 2146 1 7 . 1 1 28 28 THR HA H 28 5.060 5.060 5.076 -0.016 19667 2147 1 7 . 1 1 28 28 THR C C 28 174.890 174.890 174.517 0.373 19667 2148 1 7 . 1 1 28 28 THR CA C 28 60.810 60.810 61.131 -0.321 19667 2149 1 7 . 1 1 28 28 THR CB C 28 71.020 71.020 70.543 0.477 19667 2150 1 7 . 1 1 28 28 THR H H 28 7.960 7.960 8.558 -0.598 19667 2151 1 7 . 1 1 29 29 ILE N N 29 125.420 125.420 129.675 -4.255 19667 2152 1 7 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.074 -0.114 19667 2153 1 7 . 1 1 29 29 ILE C C 29 176.190 176.190 175.858 0.332 19667 2154 1 7 . 1 1 29 29 ILE CA C 29 63.890 63.890 63.047 0.843 19667 2155 1 7 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.008 0.762 19667 2156 1 7 . 1 1 29 29 ILE H H 29 8.940 8.940 8.456 0.484 19667 2157 1 7 . 1 1 30 30 SER N N 30 126.420 126.420 124.902 1.518 19667 2158 1 7 . 1 1 30 30 SER HA H 30 4.720 4.720 4.526 0.194 19667 2159 1 7 . 1 1 30 30 SER C C 30 173.780 173.780 173.666 0.114 19667 2160 1 7 . 1 1 30 30 SER CA C 30 59.130 59.130 59.811 -0.681 19667 2161 1 7 . 1 1 30 30 SER CB C 30 64.890 64.890 64.351 0.539 19667 2162 1 7 . 1 1 30 30 SER H H 30 9.750 9.750 8.540 1.210 19667 2163 1 7 . 1 1 31 31 GLU N N 31 120.570 120.570 119.765 0.805 19667 2164 1 7 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.527 -0.017 19667 2165 1 7 . 1 1 31 31 GLU C C 31 173.520 173.520 174.016 -0.496 19667 2166 1 7 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.834 0.696 19667 2167 1 7 . 1 1 31 31 GLU CB C 31 34.550 34.550 33.468 1.082 19667 2168 1 7 . 1 1 31 31 GLU H H 31 7.980 7.980 7.577 0.403 19667 2169 1 7 . 1 1 32 32 VAL N N 32 123.360 123.360 122.628 0.732 19667 2170 1 7 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.274 0.086 19667 2171 1 7 . 1 1 32 32 VAL C C 32 174.100 174.100 174.245 -0.145 19667 2172 1 7 . 1 1 32 32 VAL CA C 32 61.990 61.990 61.250 0.740 19667 2173 1 7 . 1 1 32 32 VAL CB C 32 34.960 34.960 34.350 0.610 19667 2174 1 7 . 1 1 32 32 VAL H H 32 8.920 8.920 8.423 0.497 19667 2175 1 7 . 1 1 33 33 ASN N N 33 126.240 126.240 126.762 -0.522 19667 2176 1 7 . 1 1 33 33 ASN HA H 33 5.100 5.100 4.963 0.137 19667 2177 1 7 . 1 1 33 33 ASN C C 33 174.950 174.950 175.840 -0.890 19667 2178 1 7 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.601 -0.211 19667 2179 1 7 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.976 -0.466 19667 2180 1 7 . 1 1 33 33 ASN H H 33 8.880 8.880 9.049 -0.169 19667 2181 1 7 . 1 1 34 34 ALA N N 34 126.960 126.960 124.730 2.230 19667 2182 1 7 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.252 -0.122 19667 2183 1 7 . 1 1 34 34 ALA C C 34 179.800 179.800 179.627 0.173 19667 2184 1 7 . 1 1 34 34 ALA CA C 34 55.630 55.630 55.309 0.321 19667 2185 1 7 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.660 -0.020 19667 2186 1 7 . 1 1 34 34 ALA H H 34 9.120 9.120 8.795 0.325 19667 2187 1 7 . 1 1 35 35 GLU N N 35 118.690 118.690 119.010 -0.320 19667 2188 1 7 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.035 0.025 19667 2189 1 7 . 1 1 35 35 GLU C C 35 177.960 177.960 177.896 0.064 19667 2190 1 7 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.953 0.777 19667 2191 1 7 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.267 0.063 19667 2192 1 7 . 1 1 35 35 GLU H H 35 8.710 8.710 8.763 -0.053 19667 2193 1 7 . 1 1 36 36 GLN N N 36 113.480 113.480 115.670 -2.190 19667 2194 1 7 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.506 -0.216 19667 2195 1 7 . 1 1 36 36 GLN C C 36 173.890 173.890 174.768 -0.878 19667 2196 1 7 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.834 -0.114 19667 2197 1 7 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.843 0.467 19667 2198 1 7 . 1 1 36 36 GLN H H 36 7.240 7.240 7.661 -0.421 19667 2199 1 7 . 1 1 37 37 GLN N N 37 116.180 116.180 115.413 0.767 19667 2200 1 7 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.199 -2.059 19667 2201 1 7 . 1 1 37 37 GLN C C 37 174.570 174.570 175.035 -0.465 19667 2202 1 7 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.341 -0.731 19667 2203 1 7 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.252 -0.512 19667 2204 1 7 . 1 1 37 37 GLN H H 37 7.550 7.550 8.157 -0.607 19667 2205 1 7 . 1 1 38 38 LYS N N 38 116.330 116.330 116.983 -0.653 19667 2206 1 7 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.728 0.282 19667 2207 1 7 . 1 1 38 38 LYS C C 38 173.820 173.820 173.955 -0.135 19667 2208 1 7 . 1 1 38 38 LYS CA C 38 54.830 54.830 54.967 -0.137 19667 2209 1 7 . 1 1 38 38 LYS CB C 38 37.800 37.800 37.400 0.400 19667 2210 1 7 . 1 1 38 38 LYS H H 38 7.790 7.790 8.331 -0.541 19667 2211 1 7 . 1 1 39 39 LEU N N 39 120.450 120.450 119.640 0.810 19667 2212 1 7 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.486 0.554 19667 2213 1 7 . 1 1 39 39 LEU C C 39 175.870 175.870 174.294 1.576 19667 2214 1 7 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.646 -0.426 19667 2215 1 7 . 1 1 39 39 LEU CB C 39 46.580 46.580 46.775 -0.195 19667 2216 1 7 . 1 1 39 39 LEU H H 39 9.340 9.340 9.044 0.296 19667 2217 1 7 . 1 1 40 40 LYS N N 40 120.660 120.660 122.065 -1.405 19667 2218 1 7 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.807 0.313 19667 2219 1 7 . 1 1 40 40 LYS C C 40 176.120 176.120 174.919 1.201 19667 2220 1 7 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.971 0.849 19667 2221 1 7 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.204 -0.824 19667 2222 1 7 . 1 1 40 40 LYS H H 40 8.590 8.590 9.109 -0.519 19667 2223 1 7 . 1 1 41 41 VAL N N 41 117.680 117.680 122.116 -4.436 19667 2224 1 7 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.803 0.447 19667 2225 1 7 . 1 1 41 41 VAL C C 41 173.490 173.490 173.125 0.365 19667 2226 1 7 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.563 -1.913 19667 2227 1 7 . 1 1 41 41 VAL CB C 41 34.540 34.540 34.516 0.024 19667 2228 1 7 . 1 1 41 41 VAL H H 41 9.160 9.160 9.186 -0.026 19667 2229 1 7 . 1 1 42 42 LEU N N 42 120.900 120.900 126.461 -5.561 19667 2230 1 7 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.550 0.280 19667 2231 1 7 . 1 1 42 42 LEU C C 42 176.810 176.810 174.511 2.299 19667 2232 1 7 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.829 -0.489 19667 2233 1 7 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.111 -0.821 19667 2234 1 7 . 1 1 42 42 LEU H H 42 8.970 8.970 9.128 -0.158 19667 2235 1 7 . 1 1 43 43 VAL N N 43 124.360 124.360 125.494 -1.134 19667 2236 1 7 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.295 0.075 19667 2237 1 7 . 1 1 43 43 VAL C C 43 174.820 174.820 174.218 0.602 19667 2238 1 7 . 1 1 43 43 VAL CA C 43 60.450 60.450 60.645 -0.195 19667 2239 1 7 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.965 -0.965 19667 2240 1 7 . 1 1 43 43 VAL H H 43 8.670 8.670 7.906 0.764 19667 2241 1 7 . 1 1 44 44 SER N N 44 121.390 121.390 123.479 -2.089 19667 2242 1 7 . 1 1 44 44 SER HA H 44 4.770 4.770 4.611 0.159 19667 2243 1 7 . 1 1 44 44 SER C C 44 173.610 173.610 173.525 0.085 19667 2244 1 7 . 1 1 44 44 SER CA C 44 57.440 57.440 58.322 -0.882 19667 2245 1 7 . 1 1 44 44 SER CB C 44 63.070 63.070 63.869 -0.799 19667 2246 1 7 . 1 1 44 44 SER H H 44 8.870 8.870 8.551 0.319 19667 2247 1 7 . 1 1 45 45 ILE N N 45 126.730 126.730 123.681 3.049 19667 2248 1 7 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.458 -0.238 19667 2249 1 7 . 1 1 45 45 ILE CA C 45 59.970 59.970 59.614 0.356 19667 2250 1 7 . 1 1 45 45 ILE CB C 45 39.060 39.060 41.617 -2.557 19667 2251 1 7 . 1 1 45 45 ILE H H 45 8.320 8.320 8.990 -0.670 19667 2252 1 7 . 1 1 46 46 PHE N N 46 125.740 125.740 123.289 2.451 19667 2253 1 7 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.228 0.122 19667 2254 1 7 . 1 1 46 46 PHE C C 46 176.020 176.020 176.739 -0.719 19667 2255 1 7 . 1 1 46 46 PHE CA C 46 58.510 58.510 57.856 0.654 19667 2256 1 7 . 1 1 46 46 PHE CB C 46 37.070 37.070 37.575 -0.505 19667 2257 1 7 . 1 1 46 46 PHE H H 46 9.050 9.050 8.740 0.310 19667 2258 1 7 . 1 1 47 47 GLY N N 47 104.300 104.300 113.588 -9.288 19667 2259 1 7 . 1 1 47 47 GLY C C 47 173.560 173.560 173.326 0.234 19667 2260 1 7 . 1 1 47 47 GLY CA C 47 45.550 45.550 44.940 0.610 19667 2261 1 7 . 1 1 47 47 GLY H H 47 8.340 8.340 8.872 -0.532 19667 2262 1 7 . 1 1 48 48 ARG N N 48 120.650 120.650 118.224 2.426 19667 2263 1 7 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.304 0.346 19667 2264 1 7 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.172 -0.503 19667 2265 1 7 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.993 -2.083 19667 2266 1 7 . 1 1 48 48 ARG H H 48 7.870 7.870 8.542 -0.672 19667 2267 1 7 . 1 1 49 49 GLU N N 49 126.100 126.100 125.759 0.341 19667 2268 1 7 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.128 -0.468 19667 2269 1 7 . 1 1 49 49 GLU C C 49 176.320 176.320 175.800 0.520 19667 2270 1 7 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.218 1.522 19667 2271 1 7 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.498 -2.208 19667 2272 1 7 . 1 1 49 49 GLU H H 49 8.790 8.790 8.557 0.233 19667 2273 1 7 . 1 1 50 50 THR N N 50 123.540 123.540 120.335 3.205 19667 2274 1 7 . 1 1 50 50 THR HA H 50 4.810 4.810 4.704 0.106 19667 2275 1 7 . 1 1 50 50 THR CA C 50 59.920 59.920 59.455 0.465 19667 2276 1 7 . 1 1 50 50 THR CB C 50 72.350 72.350 69.934 2.416 19667 2277 1 7 . 1 1 50 50 THR H H 50 9.110 9.110 8.132 0.978 19667 2278 1 7 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.350 0.980 19667 2279 1 7 . 1 1 51 51 PRO C C 51 176.800 176.800 175.591 1.209 19667 2280 1 7 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.330 -0.600 19667 2281 1 7 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.362 -0.252 19667 2282 1 7 . 1 1 52 52 VAL N N 52 123.010 123.010 122.424 0.586 19667 2283 1 7 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.345 -0.075 19667 2284 1 7 . 1 1 52 52 VAL C C 52 173.750 173.750 174.411 -0.661 19667 2285 1 7 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.113 1.267 19667 2286 1 7 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.870 0.020 19667 2287 1 7 . 1 1 52 52 VAL H H 52 9.110 9.110 8.994 0.116 19667 2288 1 7 . 1 1 53 53 GLU N N 53 126.730 126.730 126.244 0.486 19667 2289 1 7 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.900 0.300 19667 2290 1 7 . 1 1 53 53 GLU C C 53 174.980 174.980 174.929 0.051 19667 2291 1 7 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.464 0.036 19667 2292 1 7 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.636 -0.226 19667 2293 1 7 . 1 1 53 53 GLU H H 53 8.570 8.570 8.572 -0.002 19667 2294 1 7 . 1 1 54 54 LEU N N 54 126.200 126.200 125.538 0.662 19667 2295 1 7 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.843 0.167 19667 2296 1 7 . 1 1 54 54 LEU C C 54 175.940 175.940 175.590 0.350 19667 2297 1 7 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.442 -0.042 19667 2298 1 7 . 1 1 54 54 LEU CB C 54 47.360 47.360 47.248 0.112 19667 2299 1 7 . 1 1 54 54 LEU H H 54 8.850 8.850 9.062 -0.212 19667 2300 1 7 . 1 1 55 55 THR N N 55 111.050 111.050 111.891 -0.841 19667 2301 1 7 . 1 1 55 55 THR HA H 55 5.210 5.210 4.582 0.628 19667 2302 1 7 . 1 1 55 55 THR C C 55 176.450 176.450 174.832 1.618 19667 2303 1 7 . 1 1 55 55 THR CA C 55 60.760 60.760 60.029 0.730 19667 2304 1 7 . 1 1 55 55 THR CB C 55 70.930 70.930 71.035 -0.105 19667 2305 1 7 . 1 1 55 55 THR H H 55 9.140 9.140 8.790 0.350 19667 2306 1 7 . 1 1 56 56 PHE N N 56 119.120 119.120 123.085 -3.965 19667 2307 1 7 . 1 1 56 56 PHE HA H 56 4.150 4.150 3.990 0.160 19667 2308 1 7 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.527 -1.957 19667 2309 1 7 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.818 -0.988 19667 2310 1 7 . 1 1 56 56 PHE H H 56 8.100 8.100 8.113 -0.013 19667 2311 1 7 . 1 1 57 57 GLY N N 57 103.400 103.400 112.338 -8.938 19667 2312 1 7 . 1 1 57 57 GLY C C 57 174.880 174.880 175.134 -0.254 19667 2313 1 7 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.319 0.481 19667 2314 1 7 . 1 1 57 57 GLY H H 57 8.360 8.360 8.618 -0.258 19667 2315 1 7 . 1 1 58 58 GLN N N 58 117.080 117.080 119.786 -2.706 19667 2316 1 7 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.223 0.167 19667 2317 1 7 . 1 1 58 58 GLN C C 58 174.120 174.120 174.939 -0.819 19667 2318 1 7 . 1 1 58 58 GLN CA C 58 56.370 56.370 57.027 -0.657 19667 2319 1 7 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.334 2.706 19667 2320 1 7 . 1 1 58 58 GLN H H 58 7.790 7.790 8.211 -0.421 19667 2321 1 7 . 1 1 59 59 VAL N N 59 110.280 110.280 110.068 0.212 19667 2322 1 7 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.269 -0.019 19667 2323 1 7 . 1 1 59 59 VAL C C 59 173.600 173.600 173.945 -0.345 19667 2324 1 7 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.892 -0.071 19667 2325 1 7 . 1 1 59 59 VAL CB C 59 35.990 35.990 34.943 1.047 19667 2326 1 7 . 1 1 59 59 VAL H H 59 7.350 7.350 7.203 0.147 19667 2327 1 7 . 1 1 60 60 SER N N 60 112.630 112.630 117.991 -5.361 19667 2328 1 7 . 1 1 60 60 SER HA H 60 4.910 4.910 4.880 0.030 19667 2329 1 7 . 1 1 60 60 SER C C 60 173.830 173.830 174.078 -0.248 19667 2330 1 7 . 1 1 60 60 SER CA C 60 56.860 56.860 56.443 0.417 19667 2331 1 7 . 1 1 60 60 SER CB C 60 66.280 66.280 65.043 1.237 19667 2332 1 7 . 1 1 60 60 SER H H 60 8.510 8.510 8.288 0.222 19667 2333 1 7 . 1 1 61 61 LYS N N 61 124.640 124.640 126.491 -1.851 19667 2334 1 7 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.426 0.184 19667 2335 1 7 . 1 1 61 61 LYS C C 61 176.290 176.290 176.755 -0.465 19667 2336 1 7 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.294 1.175 19667 2337 1 7 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.344 0.216 19667 2338 1 7 . 1 1 61 61 LYS H H 61 8.720 8.720 8.667 0.053 19667 2339 1 8 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.223 0.447 19667 2340 1 8 . 1 1 2 2 ARG CA C 2 54.250 54.250 57.812 -3.562 19667 2341 1 8 . 1 1 2 2 ARG CB C 2 30.250 30.250 28.540 1.710 19667 2342 1 8 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.490 0.000 19667 2343 1 8 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.905 0.265 19667 2344 1 8 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.798 0.322 19667 2345 1 8 . 1 1 4 4 VAL N N 4 121.160 121.160 122.862 -1.702 19667 2346 1 8 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.373 -0.293 19667 2347 1 8 . 1 1 4 4 VAL C C 4 175.940 175.940 175.116 0.824 19667 2348 1 8 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.501 1.229 19667 2349 1 8 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.223 -1.483 19667 2350 1 8 . 1 1 4 4 VAL H H 4 8.310 8.310 8.088 0.222 19667 2351 1 8 . 1 1 5 5 VAL N N 5 123.660 123.660 120.598 3.062 19667 2352 1 8 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.452 -0.252 19667 2353 1 8 . 1 1 5 5 VAL C C 5 175.520 175.520 175.242 0.278 19667 2354 1 8 . 1 1 5 5 VAL CA C 5 61.940 61.940 60.620 1.320 19667 2355 1 8 . 1 1 5 5 VAL CB C 5 33.130 33.130 33.663 -0.533 19667 2356 1 8 . 1 1 5 5 VAL H H 5 8.160 8.160 8.175 -0.015 19667 2357 1 8 . 1 1 6 6 GLU N N 6 125.610 125.610 123.546 2.064 19667 2358 1 8 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.229 0.101 19667 2359 1 8 . 1 1 6 6 GLU C C 6 175.520 175.520 175.990 -0.470 19667 2360 1 8 . 1 1 6 6 GLU CA C 6 56.560 56.560 57.114 -0.554 19667 2361 1 8 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.588 -0.428 19667 2362 1 8 . 1 1 6 6 GLU H H 6 8.530 8.530 8.620 -0.090 19667 2363 1 8 . 1 1 7 7 VAL N N 7 119.540 119.540 122.153 -2.613 19667 2364 1 8 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.002 0.168 19667 2365 1 8 . 1 1 7 7 VAL C C 7 174.070 174.070 175.918 -1.848 19667 2366 1 8 . 1 1 7 7 VAL CA C 7 61.230 61.230 63.622 -2.392 19667 2367 1 8 . 1 1 7 7 VAL CB C 7 33.630 33.630 31.632 1.998 19667 2368 1 8 . 1 1 7 7 VAL H H 7 8.030 8.030 8.458 -0.428 19667 2369 1 8 . 1 1 8 8 ASP N N 8 123.880 123.880 119.205 4.675 19667 2370 1 8 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.542 0.088 19667 2371 1 8 . 1 1 8 8 ASP C C 8 174.090 174.090 175.579 -1.489 19667 2372 1 8 . 1 1 8 8 ASP CA C 8 53.590 53.590 55.676 -2.086 19667 2373 1 8 . 1 1 8 8 ASP CB C 8 42.410 42.410 41.364 1.046 19667 2374 1 8 . 1 1 8 8 ASP H H 8 8.040 8.040 8.157 -0.117 19667 2375 1 8 . 1 1 9 9 TYR N N 9 118.630 118.630 117.305 1.325 19667 2376 1 8 . 1 1 9 9 TYR HA H 9 4.770 4.770 5.062 -0.292 19667 2377 1 8 . 1 1 9 9 TYR C C 9 174.260 174.260 175.435 -1.175 19667 2378 1 8 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.301 0.019 19667 2379 1 8 . 1 1 9 9 TYR CB C 9 42.770 42.770 42.557 0.213 19667 2380 1 8 . 1 1 9 9 TYR H H 9 7.760 7.760 8.075 -0.315 19667 2381 1 8 . 1 1 10 10 GLU N N 10 119.600 119.600 120.875 -1.275 19667 2382 1 8 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.816 -0.126 19667 2383 1 8 . 1 1 10 10 GLU C C 10 175.220 175.220 175.537 -0.317 19667 2384 1 8 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.553 -0.673 19667 2385 1 8 . 1 1 10 10 GLU CB C 10 30.730 30.730 34.093 -3.362 19667 2386 1 8 . 1 1 10 10 GLU H H 10 8.710 8.710 8.542 0.168 19667 2387 1 8 . 1 1 11 11 VAL N N 11 121.500 121.500 121.677 -0.177 19667 2388 1 8 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.562 -0.342 19667 2389 1 8 . 1 1 11 11 VAL C C 11 177.320 177.320 177.541 -0.221 19667 2390 1 8 . 1 1 11 11 VAL CA C 11 65.750 65.750 64.595 1.155 19667 2391 1 8 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.208 0.292 19667 2392 1 8 . 1 1 11 11 VAL H H 11 8.600 8.600 8.657 -0.057 19667 2393 1 8 . 1 1 12 12 GLY N N 12 115.830 115.830 116.182 -0.352 19667 2394 1 8 . 1 1 12 12 GLY C C 12 173.830 173.830 173.833 -0.003 19667 2395 1 8 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.724 -0.014 19667 2396 1 8 . 1 1 12 12 GLY H H 12 8.990 8.990 8.721 0.269 19667 2397 1 8 . 1 1 13 13 GLU N N 13 121.780 121.780 121.192 0.588 19667 2398 1 8 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.517 -0.177 19667 2399 1 8 . 1 1 13 13 GLU C C 13 175.460 175.460 175.342 0.118 19667 2400 1 8 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.726 1.234 19667 2401 1 8 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.452 0.258 19667 2402 1 8 . 1 1 13 13 GLU H H 13 7.760 7.760 7.770 -0.010 19667 2403 1 8 . 1 1 14 14 SER N N 14 119.230 119.230 117.220 2.010 19667 2404 1 8 . 1 1 14 14 SER HA H 14 5.350 5.350 5.358 -0.008 19667 2405 1 8 . 1 1 14 14 SER C C 14 173.600 173.600 174.132 -0.532 19667 2406 1 8 . 1 1 14 14 SER CA C 14 58.280 58.280 57.434 0.846 19667 2407 1 8 . 1 1 14 14 SER CB C 14 64.350 64.350 64.148 0.202 19667 2408 1 8 . 1 1 14 14 SER H H 14 8.650 8.650 8.492 0.158 19667 2409 1 8 . 1 1 15 15 VAL N N 15 116.180 116.180 118.398 -2.218 19667 2410 1 8 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.817 0.193 19667 2411 1 8 . 1 1 15 15 VAL C C 15 174.220 174.220 174.266 -0.046 19667 2412 1 8 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.527 -0.717 19667 2413 1 8 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.378 1.302 19667 2414 1 8 . 1 1 15 15 VAL H H 15 8.920 8.920 9.156 -0.236 19667 2415 1 8 . 1 1 16 16 THR N N 16 116.710 116.710 116.853 -0.143 19667 2416 1 8 . 1 1 16 16 THR HA H 16 4.700 4.700 5.078 -0.378 19667 2417 1 8 . 1 1 16 16 THR C C 16 174.300 174.300 174.842 -0.542 19667 2418 1 8 . 1 1 16 16 THR CA C 16 61.850 61.850 61.634 0.216 19667 2419 1 8 . 1 1 16 16 THR CB C 16 70.070 70.070 70.492 -0.422 19667 2420 1 8 . 1 1 16 16 THR H H 16 8.890 8.890 8.151 0.739 19667 2421 1 8 . 1 1 17 17 VAL N N 17 127.930 127.930 127.500 0.430 19667 2422 1 8 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.716 0.134 19667 2423 1 8 . 1 1 17 17 VAL C C 17 176.880 176.880 175.721 1.159 19667 2424 1 8 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.558 -0.008 19667 2425 1 8 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.674 -0.984 19667 2426 1 8 . 1 1 17 17 VAL H H 17 8.820 8.820 9.205 -0.385 19667 2427 1 8 . 1 1 18 18 MET N N 18 124.420 124.420 125.049 -0.629 19667 2428 1 8 . 1 1 18 18 MET HA H 18 4.860 4.860 4.716 0.144 19667 2429 1 8 . 1 1 18 18 MET C C 18 175.360 175.360 175.753 -0.393 19667 2430 1 8 . 1 1 18 18 MET CA C 18 54.440 54.440 54.479 -0.039 19667 2431 1 8 . 1 1 18 18 MET CB C 18 32.720 32.720 33.289 -0.569 19667 2432 1 8 . 1 1 18 18 MET H H 18 9.070 9.070 8.499 0.571 19667 2433 1 8 . 1 1 19 19 ASP N N 19 118.000 118.000 119.529 -1.529 19667 2434 1 8 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.799 0.201 19667 2435 1 8 . 1 1 19 19 ASP C C 19 174.380 174.380 175.992 -1.612 19667 2436 1 8 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.704 -0.424 19667 2437 1 8 . 1 1 19 19 ASP CB C 19 46.230 46.230 42.685 3.545 19667 2438 1 8 . 1 1 19 19 ASP H H 19 7.380 7.380 7.645 -0.265 19667 2439 1 8 . 1 1 20 20 GLY N N 20 107.900 107.900 111.824 -3.924 19667 2440 1 8 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.716 0.554 19667 2441 1 8 . 1 1 20 20 GLY H H 20 8.280 8.280 8.007 0.273 19667 2442 1 8 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.361 -0.191 19667 2443 1 8 . 1 1 21 21 PRO C C 21 177.580 177.580 176.250 1.330 19667 2444 1 8 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.438 -0.038 19667 2445 1 8 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.715 -0.045 19667 2446 1 8 . 1 1 22 22 PHE N N 22 116.800 116.800 117.428 -0.628 19667 2447 1 8 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.610 0.110 19667 2448 1 8 . 1 1 22 22 PHE C C 22 173.130 173.130 175.325 -2.195 19667 2449 1 8 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.486 -0.346 19667 2450 1 8 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.107 -1.157 19667 2451 1 8 . 1 1 22 22 PHE H H 22 8.870 8.870 7.779 1.091 19667 2452 1 8 . 1 1 23 23 ALA N N 23 120.160 120.160 121.507 -1.347 19667 2453 1 8 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.053 -0.463 19667 2454 1 8 . 1 1 23 23 ALA C C 23 178.830 178.830 178.086 0.744 19667 2455 1 8 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.233 0.336 19667 2456 1 8 . 1 1 23 23 ALA CB C 23 18.470 18.470 19.094 -0.624 19667 2457 1 8 . 1 1 23 23 ALA H H 23 7.410 7.410 7.419 -0.009 19667 2458 1 8 . 1 1 24 24 THR N N 24 114.390 114.390 112.905 1.485 19667 2459 1 8 . 1 1 24 24 THR HA H 24 4.060 4.060 3.892 0.168 19667 2460 1 8 . 1 1 24 24 THR C C 24 173.550 173.550 173.389 0.161 19667 2461 1 8 . 1 1 24 24 THR CA C 24 65.800 65.800 63.491 2.309 19667 2462 1 8 . 1 1 24 24 THR CB C 24 69.240 69.240 66.525 2.715 19667 2463 1 8 . 1 1 24 24 THR H H 24 9.140 9.140 8.855 0.285 19667 2464 1 8 . 1 1 25 25 LEU N N 25 124.680 124.680 119.529 5.151 19667 2465 1 8 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.914 -0.164 19667 2466 1 8 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.825 1.805 19667 2467 1 8 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.582 -5.272 19667 2468 1 8 . 1 1 25 25 LEU H H 25 8.090 8.090 7.525 0.565 19667 2469 1 8 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.735 0.415 19667 2470 1 8 . 1 1 26 26 PRO C C 26 176.040 176.040 175.608 0.432 19667 2471 1 8 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.680 -0.750 19667 2472 1 8 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.916 0.474 19667 2473 1 8 . 1 1 27 27 ALA N N 27 121.180 121.180 123.909 -2.729 19667 2474 1 8 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.987 0.033 19667 2475 1 8 . 1 1 27 27 ALA C C 27 176.000 176.000 175.520 0.480 19667 2476 1 8 . 1 1 27 27 ALA CA C 27 50.600 50.600 51.129 -0.529 19667 2477 1 8 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.030 1.090 19667 2478 1 8 . 1 1 27 27 ALA H H 27 8.970 8.970 8.962 0.008 19667 2479 1 8 . 1 1 28 28 THR N N 28 113.950 113.950 119.166 -5.216 19667 2480 1 8 . 1 1 28 28 THR HA H 28 5.060 5.060 5.000 0.060 19667 2481 1 8 . 1 1 28 28 THR C C 28 174.890 174.890 174.529 0.361 19667 2482 1 8 . 1 1 28 28 THR CA C 28 60.810 60.810 61.221 -0.411 19667 2483 1 8 . 1 1 28 28 THR CB C 28 71.020 71.020 69.973 1.047 19667 2484 1 8 . 1 1 28 28 THR H H 28 7.960 7.960 8.246 -0.286 19667 2485 1 8 . 1 1 29 29 ILE N N 29 125.420 125.420 128.959 -3.539 19667 2486 1 8 . 1 1 29 29 ILE HA H 29 3.960 3.960 3.988 -0.028 19667 2487 1 8 . 1 1 29 29 ILE C C 29 176.190 176.190 175.700 0.490 19667 2488 1 8 . 1 1 29 29 ILE CA C 29 63.890 63.890 63.090 0.800 19667 2489 1 8 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.354 0.416 19667 2490 1 8 . 1 1 29 29 ILE H H 29 8.940 8.940 8.595 0.345 19667 2491 1 8 . 1 1 30 30 SER N N 30 126.420 126.420 123.646 2.774 19667 2492 1 8 . 1 1 30 30 SER HA H 30 4.720 4.720 4.574 0.146 19667 2493 1 8 . 1 1 30 30 SER C C 30 173.780 173.780 173.746 0.034 19667 2494 1 8 . 1 1 30 30 SER CA C 30 59.130 59.130 58.027 1.103 19667 2495 1 8 . 1 1 30 30 SER CB C 30 64.890 64.890 64.413 0.477 19667 2496 1 8 . 1 1 30 30 SER H H 30 9.750 9.750 8.486 1.264 19667 2497 1 8 . 1 1 31 31 GLU N N 31 120.570 120.570 120.052 0.518 19667 2498 1 8 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.515 -0.005 19667 2499 1 8 . 1 1 31 31 GLU C C 31 173.520 173.520 173.903 -0.383 19667 2500 1 8 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.894 0.636 19667 2501 1 8 . 1 1 31 31 GLU CB C 31 34.550 34.550 34.130 0.420 19667 2502 1 8 . 1 1 31 31 GLU H H 31 7.980 7.980 7.616 0.364 19667 2503 1 8 . 1 1 32 32 VAL N N 32 123.360 123.360 121.734 1.626 19667 2504 1 8 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.290 0.070 19667 2505 1 8 . 1 1 32 32 VAL C C 32 174.100 174.100 174.166 -0.066 19667 2506 1 8 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.339 1.651 19667 2507 1 8 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.514 -0.554 19667 2508 1 8 . 1 1 32 32 VAL H H 32 8.920 8.920 8.373 0.547 19667 2509 1 8 . 1 1 33 33 ASN N N 33 126.240 126.240 127.358 -1.118 19667 2510 1 8 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.013 0.087 19667 2511 1 8 . 1 1 33 33 ASN C C 33 174.950 174.950 175.119 -0.169 19667 2512 1 8 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.436 -0.046 19667 2513 1 8 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.578 -0.068 19667 2514 1 8 . 1 1 33 33 ASN H H 33 8.880 8.880 9.127 -0.247 19667 2515 1 8 . 1 1 34 34 ALA N N 34 126.960 126.960 127.652 -0.692 19667 2516 1 8 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.322 -0.192 19667 2517 1 8 . 1 1 34 34 ALA C C 34 179.800 179.800 179.202 0.598 19667 2518 1 8 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.742 0.888 19667 2519 1 8 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.712 -0.072 19667 2520 1 8 . 1 1 34 34 ALA H H 34 9.120 9.120 8.906 0.214 19667 2521 1 8 . 1 1 35 35 GLU N N 35 118.690 118.690 118.729 -0.039 19667 2522 1 8 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.134 -0.074 19667 2523 1 8 . 1 1 35 35 GLU C C 35 177.960 177.960 178.048 -0.088 19667 2524 1 8 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.714 1.016 19667 2525 1 8 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.786 -0.456 19667 2526 1 8 . 1 1 35 35 GLU H H 35 8.710 8.710 8.577 0.133 19667 2527 1 8 . 1 1 36 36 GLN N N 36 113.480 113.480 115.977 -2.497 19667 2528 1 8 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.484 -0.194 19667 2529 1 8 . 1 1 36 36 GLN C C 36 173.890 173.890 175.104 -1.214 19667 2530 1 8 . 1 1 36 36 GLN CA C 36 54.720 54.720 55.135 -0.415 19667 2531 1 8 . 1 1 36 36 GLN CB C 36 29.310 29.310 29.423 -0.113 19667 2532 1 8 . 1 1 36 36 GLN H H 36 7.240 7.240 7.777 -0.537 19667 2533 1 8 . 1 1 37 37 GLN N N 37 116.180 116.180 114.565 1.615 19667 2534 1 8 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.143 -2.003 19667 2535 1 8 . 1 1 37 37 GLN C C 37 174.570 174.570 174.948 -0.378 19667 2536 1 8 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.123 -0.513 19667 2537 1 8 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.307 -0.567 19667 2538 1 8 . 1 1 37 37 GLN H H 37 7.550 7.550 7.936 -0.386 19667 2539 1 8 . 1 1 38 38 LYS N N 38 116.330 116.330 118.190 -1.860 19667 2540 1 8 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.662 0.348 19667 2541 1 8 . 1 1 38 38 LYS C C 38 173.820 173.820 174.338 -0.518 19667 2542 1 8 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.121 -0.291 19667 2543 1 8 . 1 1 38 38 LYS CB C 38 37.800 37.800 35.509 2.291 19667 2544 1 8 . 1 1 38 38 LYS H H 38 7.790 7.790 8.275 -0.485 19667 2545 1 8 . 1 1 39 39 LEU N N 39 120.450 120.450 125.907 -5.457 19667 2546 1 8 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.341 0.699 19667 2547 1 8 . 1 1 39 39 LEU C C 39 175.870 175.870 174.423 1.447 19667 2548 1 8 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.620 -0.400 19667 2549 1 8 . 1 1 39 39 LEU CB C 39 46.580 46.580 44.961 1.619 19667 2550 1 8 . 1 1 39 39 LEU H H 39 9.340 9.340 8.544 0.796 19667 2551 1 8 . 1 1 40 40 LYS N N 40 120.660 120.660 122.357 -1.697 19667 2552 1 8 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.674 0.446 19667 2553 1 8 . 1 1 40 40 LYS C C 40 176.120 176.120 174.692 1.428 19667 2554 1 8 . 1 1 40 40 LYS CA C 40 55.820 55.820 55.053 0.767 19667 2555 1 8 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.850 -1.470 19667 2556 1 8 . 1 1 40 40 LYS H H 40 8.590 8.590 8.869 -0.279 19667 2557 1 8 . 1 1 41 41 VAL N N 41 117.680 117.680 121.971 -4.291 19667 2558 1 8 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.587 0.663 19667 2559 1 8 . 1 1 41 41 VAL C C 41 173.490 173.490 173.199 0.291 19667 2560 1 8 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.571 -1.921 19667 2561 1 8 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.904 -1.364 19667 2562 1 8 . 1 1 41 41 VAL H H 41 9.160 9.160 8.739 0.421 19667 2563 1 8 . 1 1 42 42 LEU N N 42 120.900 120.900 126.342 -5.442 19667 2564 1 8 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.572 0.258 19667 2565 1 8 . 1 1 42 42 LEU C C 42 176.810 176.810 174.981 1.829 19667 2566 1 8 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.706 -0.366 19667 2567 1 8 . 1 1 42 42 LEU CB C 42 43.290 43.290 43.179 0.111 19667 2568 1 8 . 1 1 42 42 LEU H H 42 8.970 8.970 8.476 0.494 19667 2569 1 8 . 1 1 43 43 VAL N N 43 124.360 124.360 121.454 2.906 19667 2570 1 8 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.293 0.077 19667 2571 1 8 . 1 1 43 43 VAL C C 43 174.820 174.820 174.654 0.166 19667 2572 1 8 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.886 0.563 19667 2573 1 8 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.091 -0.091 19667 2574 1 8 . 1 1 43 43 VAL H H 43 8.670 8.670 7.874 0.796 19667 2575 1 8 . 1 1 44 44 SER N N 44 121.390 121.390 123.700 -2.310 19667 2576 1 8 . 1 1 44 44 SER HA H 44 4.770 4.770 4.567 0.203 19667 2577 1 8 . 1 1 44 44 SER C C 44 173.610 173.610 173.477 0.133 19667 2578 1 8 . 1 1 44 44 SER CA C 44 57.440 57.440 58.093 -0.653 19667 2579 1 8 . 1 1 44 44 SER CB C 44 63.070 63.070 63.521 -0.451 19667 2580 1 8 . 1 1 44 44 SER H H 44 8.870 8.870 8.540 0.330 19667 2581 1 8 . 1 1 45 45 ILE N N 45 126.730 126.730 124.852 1.878 19667 2582 1 8 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.204 0.016 19667 2583 1 8 . 1 1 45 45 ILE CA C 45 59.970 59.970 60.165 -0.195 19667 2584 1 8 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.563 -1.503 19667 2585 1 8 . 1 1 45 45 ILE H H 45 8.320 8.320 8.983 -0.663 19667 2586 1 8 . 1 1 46 46 PHE N N 46 125.740 125.740 124.016 1.724 19667 2587 1 8 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.254 0.096 19667 2588 1 8 . 1 1 46 46 PHE C C 46 176.020 176.020 177.039 -1.019 19667 2589 1 8 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.802 -1.292 19667 2590 1 8 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.011 -0.941 19667 2591 1 8 . 1 1 46 46 PHE H H 46 9.050 9.050 8.423 0.627 19667 2592 1 8 . 1 1 47 47 GLY N N 47 104.300 104.300 113.154 -8.854 19667 2593 1 8 . 1 1 47 47 GLY C C 47 173.560 173.560 173.453 0.107 19667 2594 1 8 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.064 0.486 19667 2595 1 8 . 1 1 47 47 GLY H H 47 8.340 8.340 8.838 -0.498 19667 2596 1 8 . 1 1 48 48 ARG N N 48 120.650 120.650 118.385 2.265 19667 2597 1 8 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.345 0.305 19667 2598 1 8 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.618 -0.948 19667 2599 1 8 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.311 -1.401 19667 2600 1 8 . 1 1 48 48 ARG H H 48 7.870 7.870 8.421 -0.551 19667 2601 1 8 . 1 1 49 49 GLU N N 49 126.100 126.100 126.008 0.092 19667 2602 1 8 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.149 -0.489 19667 2603 1 8 . 1 1 49 49 GLU C C 49 176.320 176.320 175.722 0.598 19667 2604 1 8 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.341 1.399 19667 2605 1 8 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.797 -2.507 19667 2606 1 8 . 1 1 49 49 GLU H H 49 8.790 8.790 8.645 0.145 19667 2607 1 8 . 1 1 50 50 THR N N 50 123.540 123.540 120.982 2.558 19667 2608 1 8 . 1 1 50 50 THR HA H 50 4.810 4.810 4.718 0.092 19667 2609 1 8 . 1 1 50 50 THR CA C 50 59.920 59.920 59.153 0.767 19667 2610 1 8 . 1 1 50 50 THR CB C 50 72.350 72.350 70.026 2.324 19667 2611 1 8 . 1 1 50 50 THR H H 50 9.110 9.110 8.072 1.038 19667 2612 1 8 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.296 1.034 19667 2613 1 8 . 1 1 51 51 PRO C C 51 176.800 176.800 175.572 1.228 19667 2614 1 8 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.508 -0.778 19667 2615 1 8 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.285 -0.175 19667 2616 1 8 . 1 1 52 52 VAL N N 52 123.010 123.010 122.899 0.111 19667 2617 1 8 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.324 -0.054 19667 2618 1 8 . 1 1 52 52 VAL C C 52 173.750 173.750 174.634 -0.884 19667 2619 1 8 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.580 0.800 19667 2620 1 8 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.658 0.232 19667 2621 1 8 . 1 1 52 52 VAL H H 52 9.110 9.110 8.827 0.283 19667 2622 1 8 . 1 1 53 53 GLU N N 53 126.730 126.730 123.937 2.793 19667 2623 1 8 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.436 0.764 19667 2624 1 8 . 1 1 53 53 GLU C C 53 174.980 174.980 175.620 -0.640 19667 2625 1 8 . 1 1 53 53 GLU CA C 53 55.500 55.500 56.090 -0.590 19667 2626 1 8 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.252 0.158 19667 2627 1 8 . 1 1 53 53 GLU H H 53 8.570 8.570 8.529 0.041 19667 2628 1 8 . 1 1 54 54 LEU N N 54 126.200 126.200 121.668 4.532 19667 2629 1 8 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.879 0.131 19667 2630 1 8 . 1 1 54 54 LEU C C 54 175.940 175.940 175.218 0.722 19667 2631 1 8 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.717 -0.317 19667 2632 1 8 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.085 1.275 19667 2633 1 8 . 1 1 54 54 LEU H H 54 8.850 8.850 9.014 -0.164 19667 2634 1 8 . 1 1 55 55 THR N N 55 111.050 111.050 112.087 -1.037 19667 2635 1 8 . 1 1 55 55 THR HA H 55 5.210 5.210 4.550 0.660 19667 2636 1 8 . 1 1 55 55 THR C C 55 176.450 176.450 174.912 1.538 19667 2637 1 8 . 1 1 55 55 THR CA C 55 60.760 60.760 59.501 1.259 19667 2638 1 8 . 1 1 55 55 THR CB C 55 70.930 70.930 71.041 -0.111 19667 2639 1 8 . 1 1 55 55 THR H H 55 9.140 9.140 8.985 0.155 19667 2640 1 8 . 1 1 56 56 PHE N N 56 119.120 119.120 121.936 -2.816 19667 2641 1 8 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.040 0.110 19667 2642 1 8 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.697 -2.127 19667 2643 1 8 . 1 1 56 56 PHE CB C 56 37.830 37.830 39.048 -1.218 19667 2644 1 8 . 1 1 56 56 PHE H H 56 8.100 8.100 8.027 0.073 19667 2645 1 8 . 1 1 57 57 GLY N N 57 103.400 103.400 112.239 -8.839 19667 2646 1 8 . 1 1 57 57 GLY C C 57 174.880 174.880 175.217 -0.337 19667 2647 1 8 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.513 0.287 19667 2648 1 8 . 1 1 57 57 GLY H H 57 8.360 8.360 8.913 -0.553 19667 2649 1 8 . 1 1 58 58 GLN N N 58 117.080 117.080 119.369 -2.289 19667 2650 1 8 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.170 0.220 19667 2651 1 8 . 1 1 58 58 GLN C C 58 174.120 174.120 174.935 -0.815 19667 2652 1 8 . 1 1 58 58 GLN CA C 58 56.370 56.370 57.193 -0.823 19667 2653 1 8 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.421 2.619 19667 2654 1 8 . 1 1 58 58 GLN H H 58 7.790 7.790 7.959 -0.169 19667 2655 1 8 . 1 1 59 59 VAL N N 59 110.280 110.280 111.065 -0.785 19667 2656 1 8 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.135 0.115 19667 2657 1 8 . 1 1 59 59 VAL C C 59 173.600 173.600 174.481 -0.881 19667 2658 1 8 . 1 1 59 59 VAL CA C 59 58.820 58.820 59.182 -0.362 19667 2659 1 8 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.482 0.508 19667 2660 1 8 . 1 1 59 59 VAL H H 59 7.350 7.350 7.178 0.172 19667 2661 1 8 . 1 1 60 60 SER N N 60 112.630 112.630 119.253 -6.623 19667 2662 1 8 . 1 1 60 60 SER HA H 60 4.910 4.910 5.020 -0.110 19667 2663 1 8 . 1 1 60 60 SER C C 60 173.830 173.830 174.529 -0.699 19667 2664 1 8 . 1 1 60 60 SER CA C 60 56.860 56.860 56.832 0.028 19667 2665 1 8 . 1 1 60 60 SER CB C 60 66.280 66.280 65.467 0.813 19667 2666 1 8 . 1 1 60 60 SER H H 60 8.510 8.510 8.258 0.252 19667 2667 1 8 . 1 1 61 61 LYS N N 61 124.640 124.640 124.500 0.140 19667 2668 1 8 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.377 0.233 19667 2669 1 8 . 1 1 61 61 LYS C C 61 176.290 176.290 176.614 -0.324 19667 2670 1 8 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.457 1.013 19667 2671 1 8 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.326 0.234 19667 2672 1 8 . 1 1 61 61 LYS H H 61 8.720 8.720 8.576 0.144 19667 2673 1 9 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.155 0.515 19667 2674 1 9 . 1 1 2 2 ARG CA C 2 54.250 54.250 58.167 -3.917 19667 2675 1 9 . 1 1 2 2 ARG CB C 2 30.250 30.250 29.263 0.987 19667 2676 1 9 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.435 0.055 19667 2677 1 9 . 1 1 3 3 PRO CA C 3 63.170 63.170 63.094 0.075 19667 2678 1 9 . 1 1 3 3 PRO CB C 3 32.120 32.120 31.920 0.200 19667 2679 1 9 . 1 1 4 4 VAL N N 4 121.160 121.160 118.549 2.611 19667 2680 1 9 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.417 -0.337 19667 2681 1 9 . 1 1 4 4 VAL C C 4 175.940 175.940 174.648 1.292 19667 2682 1 9 . 1 1 4 4 VAL CA C 4 62.730 62.730 59.820 2.910 19667 2683 1 9 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.019 -1.278 19667 2684 1 9 . 1 1 4 4 VAL H H 4 8.310 8.310 8.102 0.208 19667 2685 1 9 . 1 1 5 5 VAL N N 5 123.660 123.660 122.879 0.781 19667 2686 1 9 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.227 -0.027 19667 2687 1 9 . 1 1 5 5 VAL C C 5 175.520 175.520 176.381 -0.861 19667 2688 1 9 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.582 0.358 19667 2689 1 9 . 1 1 5 5 VAL CB C 5 33.130 33.130 31.942 1.188 19667 2690 1 9 . 1 1 5 5 VAL H H 5 8.160 8.160 8.274 -0.114 19667 2691 1 9 . 1 1 6 6 GLU N N 6 125.610 125.610 126.082 -0.472 19667 2692 1 9 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.033 0.297 19667 2693 1 9 . 1 1 6 6 GLU C C 6 175.520 175.520 175.943 -0.423 19667 2694 1 9 . 1 1 6 6 GLU CA C 6 56.560 56.560 58.461 -1.901 19667 2695 1 9 . 1 1 6 6 GLU CB C 6 30.160 30.160 29.903 0.257 19667 2696 1 9 . 1 1 6 6 GLU H H 6 8.530 8.530 8.851 -0.321 19667 2697 1 9 . 1 1 7 7 VAL N N 7 119.540 119.540 116.577 2.963 19667 2698 1 9 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.160 0.010 19667 2699 1 9 . 1 1 7 7 VAL C C 7 174.070 174.070 175.482 -1.412 19667 2700 1 9 . 1 1 7 7 VAL CA C 7 61.230 61.230 61.372 -0.142 19667 2701 1 9 . 1 1 7 7 VAL CB C 7 33.630 33.630 34.068 -0.438 19667 2702 1 9 . 1 1 7 7 VAL H H 7 8.030 8.030 7.574 0.456 19667 2703 1 9 . 1 1 8 8 ASP N N 8 123.880 123.880 121.733 2.147 19667 2704 1 9 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.422 0.208 19667 2705 1 9 . 1 1 8 8 ASP C C 8 174.090 174.090 175.166 -1.076 19667 2706 1 9 . 1 1 8 8 ASP CA C 8 53.590 53.590 55.575 -1.986 19667 2707 1 9 . 1 1 8 8 ASP CB C 8 42.410 42.410 41.494 0.916 19667 2708 1 9 . 1 1 8 8 ASP H H 8 8.040 8.040 8.659 -0.619 19667 2709 1 9 . 1 1 9 9 TYR N N 9 118.630 118.630 116.666 1.964 19667 2710 1 9 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.880 -0.110 19667 2711 1 9 . 1 1 9 9 TYR C C 9 174.260 174.260 174.932 -0.672 19667 2712 1 9 . 1 1 9 9 TYR CA C 9 57.320 57.320 56.897 0.423 19667 2713 1 9 . 1 1 9 9 TYR CB C 9 42.770 42.770 42.166 0.604 19667 2714 1 9 . 1 1 9 9 TYR H H 9 7.760 7.760 7.841 -0.081 19667 2715 1 9 . 1 1 10 10 GLU N N 10 119.600 119.600 119.617 -0.017 19667 2716 1 9 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.769 -0.079 19667 2717 1 9 . 1 1 10 10 GLU C C 10 175.220 175.220 175.476 -0.256 19667 2718 1 9 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.580 -0.700 19667 2719 1 9 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.621 -2.891 19667 2720 1 9 . 1 1 10 10 GLU H H 10 8.710 8.710 8.900 -0.190 19667 2721 1 9 . 1 1 11 11 VAL N N 11 121.500 121.500 120.038 1.462 19667 2722 1 9 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.677 -0.457 19667 2723 1 9 . 1 1 11 11 VAL C C 11 177.320 177.320 177.419 -0.099 19667 2724 1 9 . 1 1 11 11 VAL CA C 11 65.750 65.750 64.312 1.438 19667 2725 1 9 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.705 -0.205 19667 2726 1 9 . 1 1 11 11 VAL H H 11 8.600 8.600 8.596 0.004 19667 2727 1 9 . 1 1 12 12 GLY N N 12 115.830 115.830 114.972 0.858 19667 2728 1 9 . 1 1 12 12 GLY C C 12 173.830 173.830 173.670 0.160 19667 2729 1 9 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.565 0.145 19667 2730 1 9 . 1 1 12 12 GLY H H 12 8.990 8.990 8.549 0.441 19667 2731 1 9 . 1 1 13 13 GLU N N 13 121.780 121.780 121.326 0.454 19667 2732 1 9 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.564 -0.224 19667 2733 1 9 . 1 1 13 13 GLU C C 13 175.460 175.460 174.944 0.516 19667 2734 1 9 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.565 1.395 19667 2735 1 9 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.998 -0.288 19667 2736 1 9 . 1 1 13 13 GLU H H 13 7.760 7.760 7.637 0.123 19667 2737 1 9 . 1 1 14 14 SER N N 14 119.230 119.230 118.003 1.227 19667 2738 1 9 . 1 1 14 14 SER HA H 14 5.350 5.350 5.431 -0.081 19667 2739 1 9 . 1 1 14 14 SER C C 14 173.600 173.600 173.524 0.076 19667 2740 1 9 . 1 1 14 14 SER CA C 14 58.280 58.280 56.941 1.339 19667 2741 1 9 . 1 1 14 14 SER CB C 14 64.350 64.350 64.737 -0.387 19667 2742 1 9 . 1 1 14 14 SER H H 14 8.650 8.650 8.459 0.191 19667 2743 1 9 . 1 1 15 15 VAL N N 15 116.180 116.180 119.441 -3.261 19667 2744 1 9 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.713 0.297 19667 2745 1 9 . 1 1 15 15 VAL C C 15 174.220 174.220 174.532 -0.312 19667 2746 1 9 . 1 1 15 15 VAL CA C 15 58.810 58.810 60.133 -1.323 19667 2747 1 9 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.158 1.522 19667 2748 1 9 . 1 1 15 15 VAL H H 15 8.920 8.920 8.799 0.121 19667 2749 1 9 . 1 1 16 16 THR N N 16 116.710 116.710 120.274 -3.564 19667 2750 1 9 . 1 1 16 16 THR HA H 16 4.700 4.700 4.652 0.048 19667 2751 1 9 . 1 1 16 16 THR C C 16 174.300 174.300 174.842 -0.542 19667 2752 1 9 . 1 1 16 16 THR CA C 16 61.850 61.850 63.065 -1.215 19667 2753 1 9 . 1 1 16 16 THR CB C 16 70.070 70.070 69.247 0.823 19667 2754 1 9 . 1 1 16 16 THR H H 16 8.890 8.890 8.087 0.803 19667 2755 1 9 . 1 1 17 17 VAL N N 17 127.930 127.930 128.237 -0.307 19667 2756 1 9 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.651 0.199 19667 2757 1 9 . 1 1 17 17 VAL C C 17 176.880 176.880 175.571 1.309 19667 2758 1 9 . 1 1 17 17 VAL CA C 17 64.550 64.550 65.033 -0.483 19667 2759 1 9 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.940 -1.250 19667 2760 1 9 . 1 1 17 17 VAL H H 17 8.820 8.820 8.988 -0.168 19667 2761 1 9 . 1 1 18 18 MET N N 18 124.420 124.420 124.585 -0.165 19667 2762 1 9 . 1 1 18 18 MET HA H 18 4.860 4.860 4.730 0.130 19667 2763 1 9 . 1 1 18 18 MET C C 18 175.360 175.360 175.806 -0.446 19667 2764 1 9 . 1 1 18 18 MET CA C 18 54.440 54.440 54.850 -0.410 19667 2765 1 9 . 1 1 18 18 MET CB C 18 32.720 32.720 33.848 -1.128 19667 2766 1 9 . 1 1 18 18 MET H H 18 9.070 9.070 8.246 0.824 19667 2767 1 9 . 1 1 19 19 ASP N N 19 118.000 118.000 120.686 -2.686 19667 2768 1 9 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.755 0.245 19667 2769 1 9 . 1 1 19 19 ASP C C 19 174.380 174.380 176.576 -2.196 19667 2770 1 9 . 1 1 19 19 ASP CA C 19 53.280 53.280 54.271 -0.991 19667 2771 1 9 . 1 1 19 19 ASP CB C 19 46.230 46.230 41.747 4.483 19667 2772 1 9 . 1 1 19 19 ASP H H 19 7.380 7.380 7.773 -0.393 19667 2773 1 9 . 1 1 20 20 GLY N N 20 107.900 107.900 113.094 -5.194 19667 2774 1 9 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.715 0.555 19667 2775 1 9 . 1 1 20 20 GLY H H 20 8.280 8.280 7.876 0.404 19667 2776 1 9 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.421 -0.251 19667 2777 1 9 . 1 1 21 21 PRO C C 21 177.580 177.580 176.342 1.238 19667 2778 1 9 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.484 -0.083 19667 2779 1 9 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.783 -0.113 19667 2780 1 9 . 1 1 22 22 PHE N N 22 116.800 116.800 117.416 -0.616 19667 2781 1 9 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.564 0.156 19667 2782 1 9 . 1 1 22 22 PHE C C 22 173.130 173.130 175.492 -2.362 19667 2783 1 9 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.941 -0.801 19667 2784 1 9 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.311 -1.361 19667 2785 1 9 . 1 1 22 22 PHE H H 22 8.870 8.870 7.861 1.009 19667 2786 1 9 . 1 1 23 23 ALA N N 23 120.160 120.160 121.459 -1.299 19667 2787 1 9 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.122 -0.532 19667 2788 1 9 . 1 1 23 23 ALA C C 23 178.830 178.830 178.032 0.798 19667 2789 1 9 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.271 0.299 19667 2790 1 9 . 1 1 23 23 ALA CB C 23 18.470 18.470 19.007 -0.537 19667 2791 1 9 . 1 1 23 23 ALA H H 23 7.410 7.410 7.335 0.075 19667 2792 1 9 . 1 1 24 24 THR N N 24 114.390 114.390 112.914 1.476 19667 2793 1 9 . 1 1 24 24 THR HA H 24 4.060 4.060 3.871 0.189 19667 2794 1 9 . 1 1 24 24 THR C C 24 173.550 173.550 173.419 0.131 19667 2795 1 9 . 1 1 24 24 THR CA C 24 65.800 65.800 63.523 2.277 19667 2796 1 9 . 1 1 24 24 THR CB C 24 69.240 69.240 66.525 2.715 19667 2797 1 9 . 1 1 24 24 THR H H 24 9.140 9.140 8.999 0.141 19667 2798 1 9 . 1 1 25 25 LEU N N 25 124.680 124.680 119.829 4.851 19667 2799 1 9 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.873 -0.123 19667 2800 1 9 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.910 1.720 19667 2801 1 9 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.664 -5.354 19667 2802 1 9 . 1 1 25 25 LEU H H 25 8.090 8.090 7.537 0.553 19667 2803 1 9 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.470 0.680 19667 2804 1 9 . 1 1 26 26 PRO C C 26 176.040 176.040 175.578 0.462 19667 2805 1 9 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.663 -0.733 19667 2806 1 9 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.300 1.090 19667 2807 1 9 . 1 1 27 27 ALA N N 27 121.180 121.180 126.925 -5.745 19667 2808 1 9 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.597 0.423 19667 2809 1 9 . 1 1 27 27 ALA C C 27 176.000 176.000 175.588 0.412 19667 2810 1 9 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.591 0.009 19667 2811 1 9 . 1 1 27 27 ALA CB C 27 24.120 24.120 22.911 1.209 19667 2812 1 9 . 1 1 27 27 ALA H H 27 8.970 8.970 8.672 0.298 19667 2813 1 9 . 1 1 28 28 THR N N 28 113.950 113.950 116.668 -2.718 19667 2814 1 9 . 1 1 28 28 THR HA H 28 5.060 5.060 4.982 0.078 19667 2815 1 9 . 1 1 28 28 THR C C 28 174.890 174.890 174.118 0.772 19667 2816 1 9 . 1 1 28 28 THR CA C 28 60.810 60.810 60.926 -0.116 19667 2817 1 9 . 1 1 28 28 THR CB C 28 71.020 71.020 70.240 0.780 19667 2818 1 9 . 1 1 28 28 THR H H 28 7.960 7.960 8.260 -0.300 19667 2819 1 9 . 1 1 29 29 ILE N N 29 125.420 125.420 128.711 -3.291 19667 2820 1 9 . 1 1 29 29 ILE HA H 29 3.960 3.960 3.978 -0.018 19667 2821 1 9 . 1 1 29 29 ILE C C 29 176.190 176.190 175.899 0.291 19667 2822 1 9 . 1 1 29 29 ILE CA C 29 63.890 63.890 63.083 0.807 19667 2823 1 9 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.204 0.566 19667 2824 1 9 . 1 1 29 29 ILE H H 29 8.940 8.940 8.744 0.196 19667 2825 1 9 . 1 1 30 30 SER N N 30 126.420 126.420 123.420 3.000 19667 2826 1 9 . 1 1 30 30 SER HA H 30 4.720 4.720 4.527 0.193 19667 2827 1 9 . 1 1 30 30 SER C C 30 173.780 173.780 174.065 -0.285 19667 2828 1 9 . 1 1 30 30 SER CA C 30 59.130 59.130 58.574 0.556 19667 2829 1 9 . 1 1 30 30 SER CB C 30 64.890 64.890 64.585 0.305 19667 2830 1 9 . 1 1 30 30 SER H H 30 9.750 9.750 8.490 1.260 19667 2831 1 9 . 1 1 31 31 GLU N N 31 120.570 120.570 119.599 0.971 19667 2832 1 9 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.629 -0.119 19667 2833 1 9 . 1 1 31 31 GLU C C 31 173.520 173.520 173.696 -0.176 19667 2834 1 9 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.223 1.307 19667 2835 1 9 . 1 1 31 31 GLU CB C 31 34.550 34.550 33.490 1.060 19667 2836 1 9 . 1 1 31 31 GLU H H 31 7.980 7.980 7.703 0.277 19667 2837 1 9 . 1 1 32 32 VAL N N 32 123.360 123.360 122.597 0.763 19667 2838 1 9 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.298 0.062 19667 2839 1 9 . 1 1 32 32 VAL C C 32 174.100 174.100 174.265 -0.165 19667 2840 1 9 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.208 1.782 19667 2841 1 9 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.102 -0.142 19667 2842 1 9 . 1 1 32 32 VAL H H 32 8.920 8.920 8.397 0.523 19667 2843 1 9 . 1 1 33 33 ASN N N 33 126.240 126.240 126.447 -0.207 19667 2844 1 9 . 1 1 33 33 ASN HA H 33 5.100 5.100 4.964 0.136 19667 2845 1 9 . 1 1 33 33 ASN C C 33 174.950 174.950 175.208 -0.258 19667 2846 1 9 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.377 0.013 19667 2847 1 9 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.518 -0.008 19667 2848 1 9 . 1 1 33 33 ASN H H 33 8.880 8.880 9.242 -0.362 19667 2849 1 9 . 1 1 34 34 ALA N N 34 126.960 126.960 128.128 -1.168 19667 2850 1 9 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.213 -0.083 19667 2851 1 9 . 1 1 34 34 ALA C C 34 179.800 179.800 180.005 -0.205 19667 2852 1 9 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.989 0.641 19667 2853 1 9 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.712 -0.072 19667 2854 1 9 . 1 1 34 34 ALA H H 34 9.120 9.120 8.955 0.165 19667 2855 1 9 . 1 1 35 35 GLU N N 35 118.690 118.690 119.359 -0.669 19667 2856 1 9 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.058 0.002 19667 2857 1 9 . 1 1 35 35 GLU C C 35 177.960 177.960 178.131 -0.171 19667 2858 1 9 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.846 0.884 19667 2859 1 9 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.559 -0.229 19667 2860 1 9 . 1 1 35 35 GLU H H 35 8.710 8.710 8.736 -0.026 19667 2861 1 9 . 1 1 36 36 GLN N N 36 113.480 113.480 115.112 -1.632 19667 2862 1 9 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.453 -0.163 19667 2863 1 9 . 1 1 36 36 GLN C C 36 173.890 173.890 174.583 -0.693 19667 2864 1 9 . 1 1 36 36 GLN CA C 36 54.720 54.720 55.127 -0.407 19667 2865 1 9 . 1 1 36 36 GLN CB C 36 29.310 29.310 29.193 0.117 19667 2866 1 9 . 1 1 36 36 GLN H H 36 7.240 7.240 7.810 -0.570 19667 2867 1 9 . 1 1 37 37 GLN N N 37 116.180 116.180 115.161 1.019 19667 2868 1 9 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.077 -1.937 19667 2869 1 9 . 1 1 37 37 GLN C C 37 174.570 174.570 175.326 -0.756 19667 2870 1 9 . 1 1 37 37 GLN CA C 37 56.610 56.610 56.954 -0.344 19667 2871 1 9 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.439 -0.699 19667 2872 1 9 . 1 1 37 37 GLN H H 37 7.550 7.550 7.762 -0.212 19667 2873 1 9 . 1 1 38 38 LYS N N 38 116.330 116.330 118.137 -1.807 19667 2874 1 9 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.732 0.278 19667 2875 1 9 . 1 1 38 38 LYS C C 38 173.820 173.820 174.516 -0.696 19667 2876 1 9 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.150 -0.320 19667 2877 1 9 . 1 1 38 38 LYS CB C 38 37.800 37.800 35.239 2.561 19667 2878 1 9 . 1 1 38 38 LYS H H 38 7.790 7.790 8.422 -0.632 19667 2879 1 9 . 1 1 39 39 LEU N N 39 120.450 120.450 126.400 -5.950 19667 2880 1 9 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.395 0.645 19667 2881 1 9 . 1 1 39 39 LEU C C 39 175.870 175.870 174.432 1.438 19667 2882 1 9 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.648 -0.428 19667 2883 1 9 . 1 1 39 39 LEU CB C 39 46.580 46.580 44.928 1.652 19667 2884 1 9 . 1 1 39 39 LEU H H 39 9.340 9.340 8.702 0.638 19667 2885 1 9 . 1 1 40 40 LYS N N 40 120.660 120.660 122.973 -2.313 19667 2886 1 9 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.829 0.291 19667 2887 1 9 . 1 1 40 40 LYS C C 40 176.120 176.120 175.244 0.876 19667 2888 1 9 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.778 1.042 19667 2889 1 9 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.266 -0.886 19667 2890 1 9 . 1 1 40 40 LYS H H 40 8.590 8.590 9.004 -0.414 19667 2891 1 9 . 1 1 41 41 VAL N N 41 117.680 117.680 118.079 -0.399 19667 2892 1 9 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.828 0.422 19667 2893 1 9 . 1 1 41 41 VAL C C 41 173.490 173.490 173.293 0.197 19667 2894 1 9 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.847 -2.197 19667 2895 1 9 . 1 1 41 41 VAL CB C 41 34.540 34.540 34.695 -0.155 19667 2896 1 9 . 1 1 41 41 VAL H H 41 9.160 9.160 8.951 0.209 19667 2897 1 9 . 1 1 42 42 LEU N N 42 120.900 120.900 126.633 -5.733 19667 2898 1 9 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.643 0.187 19667 2899 1 9 . 1 1 42 42 LEU C C 42 176.810 176.810 174.382 2.428 19667 2900 1 9 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.525 -0.185 19667 2901 1 9 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.990 -1.700 19667 2902 1 9 . 1 1 42 42 LEU H H 42 8.970 8.970 8.905 0.065 19667 2903 1 9 . 1 1 43 43 VAL N N 43 124.360 124.360 124.994 -0.634 19667 2904 1 9 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.354 0.016 19667 2905 1 9 . 1 1 43 43 VAL C C 43 174.820 174.820 174.450 0.370 19667 2906 1 9 . 1 1 43 43 VAL CA C 43 60.450 60.450 61.037 -0.587 19667 2907 1 9 . 1 1 43 43 VAL CB C 43 34.000 34.000 35.064 -1.064 19667 2908 1 9 . 1 1 43 43 VAL H H 43 8.670 8.670 7.831 0.839 19667 2909 1 9 . 1 1 44 44 SER N N 44 121.390 121.390 123.659 -2.269 19667 2910 1 9 . 1 1 44 44 SER HA H 44 4.770 4.770 4.612 0.158 19667 2911 1 9 . 1 1 44 44 SER C C 44 173.610 173.610 173.366 0.244 19667 2912 1 9 . 1 1 44 44 SER CA C 44 57.440 57.440 57.593 -0.153 19667 2913 1 9 . 1 1 44 44 SER CB C 44 63.070 63.070 63.416 -0.346 19667 2914 1 9 . 1 1 44 44 SER H H 44 8.870 8.870 8.404 0.466 19667 2915 1 9 . 1 1 45 45 ILE N N 45 126.730 126.730 124.998 1.732 19667 2916 1 9 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.233 -0.013 19667 2917 1 9 . 1 1 45 45 ILE CA C 45 59.970 59.970 58.826 1.144 19667 2918 1 9 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.011 -0.951 19667 2919 1 9 . 1 1 45 45 ILE H H 45 8.320 8.320 8.999 -0.679 19667 2920 1 9 . 1 1 46 46 PHE N N 46 125.740 125.740 123.320 2.420 19667 2921 1 9 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.251 0.099 19667 2922 1 9 . 1 1 46 46 PHE C C 46 176.020 176.020 177.008 -0.988 19667 2923 1 9 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.868 -1.358 19667 2924 1 9 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.123 -1.053 19667 2925 1 9 . 1 1 46 46 PHE H H 46 9.050 9.050 8.341 0.709 19667 2926 1 9 . 1 1 47 47 GLY N N 47 104.300 104.300 113.439 -9.139 19667 2927 1 9 . 1 1 47 47 GLY C C 47 173.560 173.560 173.448 0.112 19667 2928 1 9 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.109 0.441 19667 2929 1 9 . 1 1 47 47 GLY H H 47 8.340 8.340 8.840 -0.500 19667 2930 1 9 . 1 1 48 48 ARG N N 48 120.650 120.650 118.403 2.247 19667 2931 1 9 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.351 0.299 19667 2932 1 9 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.645 -0.975 19667 2933 1 9 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.356 -1.446 19667 2934 1 9 . 1 1 48 48 ARG H H 48 7.870 7.870 8.470 -0.600 19667 2935 1 9 . 1 1 49 49 GLU N N 49 126.100 126.100 126.620 -0.520 19667 2936 1 9 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.163 -0.503 19667 2937 1 9 . 1 1 49 49 GLU C C 49 176.320 176.320 175.784 0.536 19667 2938 1 9 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.368 1.372 19667 2939 1 9 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.701 -2.411 19667 2940 1 9 . 1 1 49 49 GLU H H 49 8.790 8.790 8.668 0.122 19667 2941 1 9 . 1 1 50 50 THR N N 50 123.540 123.540 120.939 2.601 19667 2942 1 9 . 1 1 50 50 THR HA H 50 4.810 4.810 4.742 0.068 19667 2943 1 9 . 1 1 50 50 THR CA C 50 59.920 59.920 59.017 0.903 19667 2944 1 9 . 1 1 50 50 THR CB C 50 72.350 72.350 69.684 2.666 19667 2945 1 9 . 1 1 50 50 THR H H 50 9.110 9.110 8.139 0.971 19667 2946 1 9 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.333 0.997 19667 2947 1 9 . 1 1 51 51 PRO C C 51 176.800 176.800 175.618 1.182 19667 2948 1 9 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.314 -0.584 19667 2949 1 9 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.523 -0.413 19667 2950 1 9 . 1 1 52 52 VAL N N 52 123.010 123.010 119.982 3.028 19667 2951 1 9 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.432 -0.162 19667 2952 1 9 . 1 1 52 52 VAL C C 52 173.750 173.750 173.628 0.122 19667 2953 1 9 . 1 1 52 52 VAL CA C 52 61.380 61.380 59.800 1.580 19667 2954 1 9 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.448 0.442 19667 2955 1 9 . 1 1 52 52 VAL H H 52 9.110 9.110 8.627 0.483 19667 2956 1 9 . 1 1 53 53 GLU N N 53 126.730 126.730 127.062 -0.332 19667 2957 1 9 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.435 0.765 19667 2958 1 9 . 1 1 53 53 GLU C C 53 174.980 174.980 174.976 0.004 19667 2959 1 9 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.435 0.065 19667 2960 1 9 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.004 0.406 19667 2961 1 9 . 1 1 53 53 GLU H H 53 8.570 8.570 8.531 0.039 19667 2962 1 9 . 1 1 54 54 LEU N N 54 126.200 126.200 126.382 -0.182 19667 2963 1 9 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.915 0.095 19667 2964 1 9 . 1 1 54 54 LEU C C 54 175.940 175.940 175.744 0.196 19667 2965 1 9 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.054 0.346 19667 2966 1 9 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.985 0.375 19667 2967 1 9 . 1 1 54 54 LEU H H 54 8.850 8.850 8.970 -0.120 19667 2968 1 9 . 1 1 55 55 THR N N 55 111.050 111.050 110.917 0.133 19667 2969 1 9 . 1 1 55 55 THR HA H 55 5.210 5.210 4.588 0.622 19667 2970 1 9 . 1 1 55 55 THR C C 55 176.450 176.450 174.833 1.617 19667 2971 1 9 . 1 1 55 55 THR CA C 55 60.760 60.760 59.931 0.829 19667 2972 1 9 . 1 1 55 55 THR CB C 55 70.930 70.930 71.396 -0.466 19667 2973 1 9 . 1 1 55 55 THR H H 55 9.140 9.140 8.337 0.803 19667 2974 1 9 . 1 1 56 56 PHE N N 56 119.120 119.120 121.231 -2.111 19667 2975 1 9 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.215 -0.065 19667 2976 1 9 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.714 -2.144 19667 2977 1 9 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.893 -1.063 19667 2978 1 9 . 1 1 56 56 PHE H H 56 8.100 8.100 8.317 -0.217 19667 2979 1 9 . 1 1 57 57 GLY N N 57 103.400 103.400 112.781 -9.381 19667 2980 1 9 . 1 1 57 57 GLY C C 57 174.880 174.880 175.118 -0.238 19667 2981 1 9 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.293 0.507 19667 2982 1 9 . 1 1 57 57 GLY H H 57 8.360 8.360 8.702 -0.342 19667 2983 1 9 . 1 1 58 58 GLN N N 58 117.080 117.080 119.805 -2.725 19667 2984 1 9 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.141 0.249 19667 2985 1 9 . 1 1 58 58 GLN C C 58 174.120 174.120 174.965 -0.845 19667 2986 1 9 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.890 -0.520 19667 2987 1 9 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.299 2.741 19667 2988 1 9 . 1 1 58 58 GLN H H 58 7.790 7.790 8.008 -0.218 19667 2989 1 9 . 1 1 59 59 VAL N N 59 110.280 110.280 111.233 -0.953 19667 2990 1 9 . 1 1 59 59 VAL HA H 59 5.250 5.250 4.609 0.641 19667 2991 1 9 . 1 1 59 59 VAL C C 59 173.600 173.600 174.041 -0.441 19667 2992 1 9 . 1 1 59 59 VAL CA C 59 58.820 58.820 59.356 -0.536 19667 2993 1 9 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.157 0.833 19667 2994 1 9 . 1 1 59 59 VAL H H 59 7.350 7.350 7.183 0.167 19667 2995 1 9 . 1 1 60 60 SER N N 60 112.630 112.630 118.536 -5.906 19667 2996 1 9 . 1 1 60 60 SER HA H 60 4.910 4.910 4.880 0.030 19667 2997 1 9 . 1 1 60 60 SER C C 60 173.830 173.830 174.223 -0.393 19667 2998 1 9 . 1 1 60 60 SER CA C 60 56.860 56.860 57.689 -0.829 19667 2999 1 9 . 1 1 60 60 SER CB C 60 66.280 66.280 65.280 1.000 19667 3000 1 9 . 1 1 60 60 SER H H 60 8.510 8.510 8.185 0.325 19667 3001 1 9 . 1 1 61 61 LYS N N 61 124.640 124.640 123.785 0.855 19667 3002 1 9 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.402 0.208 19667 3003 1 9 . 1 1 61 61 LYS C C 61 176.290 176.290 176.541 -0.251 19667 3004 1 9 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.449 1.022 19667 3005 1 9 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.485 0.075 19667 3006 1 9 . 1 1 61 61 LYS H H 61 8.720 8.720 8.562 0.158 19667 3007 1 10 . 1 1 2 2 ARG HA H 2 4.670 4.670 4.602 0.068 19667 3008 1 10 . 1 1 2 2 ARG CA C 2 54.250 54.250 54.936 -0.686 19667 3009 1 10 . 1 1 2 2 ARG CB C 2 30.250 30.250 31.356 -1.106 19667 3010 1 10 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.528 -0.038 19667 3011 1 10 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.710 0.460 19667 3012 1 10 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.712 -0.592 19667 3013 1 10 . 1 1 4 4 VAL N N 4 121.160 121.160 121.907 -0.747 19667 3014 1 10 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.280 -0.200 19667 3015 1 10 . 1 1 4 4 VAL C C 4 175.940 175.940 176.142 -0.202 19667 3016 1 10 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.700 1.030 19667 3017 1 10 . 1 1 4 4 VAL CB C 4 32.740 32.740 34.048 -1.308 19667 3018 1 10 . 1 1 4 4 VAL H H 4 8.310 8.310 8.052 0.258 19667 3019 1 10 . 1 1 5 5 VAL N N 5 123.660 123.660 126.492 -2.832 19667 3020 1 10 . 1 1 5 5 VAL HA H 5 4.200 4.200 3.884 0.316 19667 3021 1 10 . 1 1 5 5 VAL C C 5 175.520 175.520 177.297 -1.777 19667 3022 1 10 . 1 1 5 5 VAL CA C 5 61.940 61.940 63.970 -2.030 19667 3023 1 10 . 1 1 5 5 VAL CB C 5 33.130 33.130 32.272 0.859 19667 3024 1 10 . 1 1 5 5 VAL H H 5 8.160 8.160 8.589 -0.429 19667 3025 1 10 . 1 1 6 6 GLU N N 6 125.610 125.610 119.497 6.113 19667 3026 1 10 . 1 1 6 6 GLU HA H 6 4.330 4.330 3.921 0.409 19667 3027 1 10 . 1 1 6 6 GLU C C 6 175.520 175.520 178.299 -2.779 19667 3028 1 10 . 1 1 6 6 GLU CA C 6 56.560 56.560 59.022 -2.462 19667 3029 1 10 . 1 1 6 6 GLU CB C 6 30.160 30.160 29.151 1.009 19667 3030 1 10 . 1 1 6 6 GLU H H 6 8.530 8.530 8.491 0.039 19667 3031 1 10 . 1 1 7 7 VAL N N 7 119.540 119.540 115.732 3.808 19667 3032 1 10 . 1 1 7 7 VAL HA H 7 4.170 4.170 3.664 0.506 19667 3033 1 10 . 1 1 7 7 VAL C C 7 174.070 174.070 174.622 -0.552 19667 3034 1 10 . 1 1 7 7 VAL CA C 7 61.230 61.230 64.028 -2.799 19667 3035 1 10 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.162 1.468 19667 3036 1 10 . 1 1 7 7 VAL H H 7 8.030 8.030 7.386 0.644 19667 3037 1 10 . 1 1 8 8 ASP N N 8 123.880 123.880 118.807 5.073 19667 3038 1 10 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.674 -0.044 19667 3039 1 10 . 1 1 8 8 ASP C C 8 174.090 174.090 174.144 -0.054 19667 3040 1 10 . 1 1 8 8 ASP CA C 8 53.590 53.590 52.652 0.938 19667 3041 1 10 . 1 1 8 8 ASP CB C 8 42.410 42.410 42.284 0.126 19667 3042 1 10 . 1 1 8 8 ASP H H 8 8.040 8.040 7.447 0.593 19667 3043 1 10 . 1 1 9 9 TYR N N 9 118.630 118.630 120.885 -2.255 19667 3044 1 10 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.790 -0.020 19667 3045 1 10 . 1 1 9 9 TYR C C 9 174.260 174.260 175.749 -1.489 19667 3046 1 10 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.816 -0.496 19667 3047 1 10 . 1 1 9 9 TYR CB C 9 42.770 42.770 40.961 1.809 19667 3048 1 10 . 1 1 9 9 TYR H H 9 7.760 7.760 8.611 -0.851 19667 3049 1 10 . 1 1 10 10 GLU N N 10 119.600 119.600 120.641 -1.041 19667 3050 1 10 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.709 -0.019 19667 3051 1 10 . 1 1 10 10 GLU C C 10 175.220 175.220 175.482 -0.262 19667 3052 1 10 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.839 -0.959 19667 3053 1 10 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.395 -2.665 19667 3054 1 10 . 1 1 10 10 GLU H H 10 8.710 8.710 8.593 0.117 19667 3055 1 10 . 1 1 11 11 VAL N N 11 121.500 121.500 121.664 -0.164 19667 3056 1 10 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.742 -0.522 19667 3057 1 10 . 1 1 11 11 VAL C C 11 177.320 177.320 177.501 -0.181 19667 3058 1 10 . 1 1 11 11 VAL CA C 11 65.750 65.750 64.597 1.153 19667 3059 1 10 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.837 -0.337 19667 3060 1 10 . 1 1 11 11 VAL H H 11 8.600 8.600 8.639 -0.039 19667 3061 1 10 . 1 1 12 12 GLY N N 12 115.830 115.830 114.835 0.995 19667 3062 1 10 . 1 1 12 12 GLY C C 12 173.830 173.830 174.053 -0.223 19667 3063 1 10 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.702 0.008 19667 3064 1 10 . 1 1 12 12 GLY H H 12 8.990 8.990 8.638 0.352 19667 3065 1 10 . 1 1 13 13 GLU N N 13 121.780 121.780 121.102 0.678 19667 3066 1 10 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.524 -0.184 19667 3067 1 10 . 1 1 13 13 GLU C C 13 175.460 175.460 175.546 -0.086 19667 3068 1 10 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.142 1.818 19667 3069 1 10 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.251 0.459 19667 3070 1 10 . 1 1 13 13 GLU H H 13 7.760 7.760 7.624 0.136 19667 3071 1 10 . 1 1 14 14 SER N N 14 119.230 119.230 117.356 1.874 19667 3072 1 10 . 1 1 14 14 SER HA H 14 5.350 5.350 5.257 0.093 19667 3073 1 10 . 1 1 14 14 SER C C 14 173.600 173.600 173.921 -0.321 19667 3074 1 10 . 1 1 14 14 SER CA C 14 58.280 58.280 57.631 0.649 19667 3075 1 10 . 1 1 14 14 SER CB C 14 64.350 64.350 64.267 0.083 19667 3076 1 10 . 1 1 14 14 SER H H 14 8.650 8.650 8.465 0.185 19667 3077 1 10 . 1 1 15 15 VAL N N 15 116.180 116.180 117.701 -1.521 19667 3078 1 10 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.953 0.057 19667 3079 1 10 . 1 1 15 15 VAL C C 15 174.220 174.220 174.060 0.160 19667 3080 1 10 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.675 -0.865 19667 3081 1 10 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.346 1.333 19667 3082 1 10 . 1 1 15 15 VAL H H 15 8.920 8.920 9.015 -0.095 19667 3083 1 10 . 1 1 16 16 THR N N 16 116.710 116.710 117.810 -1.100 19667 3084 1 10 . 1 1 16 16 THR HA H 16 4.700 4.700 5.072 -0.372 19667 3085 1 10 . 1 1 16 16 THR C C 16 174.300 174.300 174.953 -0.653 19667 3086 1 10 . 1 1 16 16 THR CA C 16 61.850 61.850 61.622 0.228 19667 3087 1 10 . 1 1 16 16 THR CB C 16 70.070 70.070 70.287 -0.217 19667 3088 1 10 . 1 1 16 16 THR H H 16 8.890 8.890 8.424 0.466 19667 3089 1 10 . 1 1 17 17 VAL N N 17 127.930 127.930 126.676 1.254 19667 3090 1 10 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.701 0.149 19667 3091 1 10 . 1 1 17 17 VAL C C 17 176.880 176.880 175.492 1.388 19667 3092 1 10 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.547 0.003 19667 3093 1 10 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.892 -1.202 19667 3094 1 10 . 1 1 17 17 VAL H H 17 8.820 8.820 9.248 -0.428 19667 3095 1 10 . 1 1 18 18 MET N N 18 124.420 124.420 126.004 -1.584 19667 3096 1 10 . 1 1 18 18 MET HA H 18 4.860 4.860 4.630 0.230 19667 3097 1 10 . 1 1 18 18 MET C C 18 175.360 175.360 175.577 -0.217 19667 3098 1 10 . 1 1 18 18 MET CA C 18 54.440 54.440 56.180 -1.740 19667 3099 1 10 . 1 1 18 18 MET CB C 18 32.720 32.720 34.187 -1.467 19667 3100 1 10 . 1 1 18 18 MET H H 18 9.070 9.070 8.618 0.452 19667 3101 1 10 . 1 1 19 19 ASP N N 19 118.000 118.000 119.200 -1.200 19667 3102 1 10 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.824 0.176 19667 3103 1 10 . 1 1 19 19 ASP C C 19 174.380 174.380 175.938 -1.558 19667 3104 1 10 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.534 -0.254 19667 3105 1 10 . 1 1 19 19 ASP CB C 19 46.230 46.230 42.909 3.321 19667 3106 1 10 . 1 1 19 19 ASP H H 19 7.380 7.380 7.635 -0.255 19667 3107 1 10 . 1 1 20 20 GLY N N 20 107.900 107.900 111.585 -3.685 19667 3108 1 10 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.688 0.582 19667 3109 1 10 . 1 1 20 20 GLY H H 20 8.280 8.280 8.066 0.214 19667 3110 1 10 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.380 -0.210 19667 3111 1 10 . 1 1 21 21 PRO C C 21 177.580 177.580 176.124 1.456 19667 3112 1 10 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.458 -0.058 19667 3113 1 10 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.696 -0.026 19667 3114 1 10 . 1 1 22 22 PHE N N 22 116.800 116.800 116.718 0.082 19667 3115 1 10 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.615 0.105 19667 3116 1 10 . 1 1 22 22 PHE C C 22 173.130 173.130 175.204 -2.074 19667 3117 1 10 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.874 -0.734 19667 3118 1 10 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.455 -1.505 19667 3119 1 10 . 1 1 22 22 PHE H H 22 8.870 8.870 7.781 1.089 19667 3120 1 10 . 1 1 23 23 ALA N N 23 120.160 120.160 122.352 -2.192 19667 3121 1 10 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.053 -0.463 19667 3122 1 10 . 1 1 23 23 ALA C C 23 178.830 178.830 178.315 0.515 19667 3123 1 10 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.215 0.355 19667 3124 1 10 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.884 -0.414 19667 3125 1 10 . 1 1 23 23 ALA H H 23 7.410 7.410 7.437 -0.027 19667 3126 1 10 . 1 1 24 24 THR N N 24 114.390 114.390 113.163 1.227 19667 3127 1 10 . 1 1 24 24 THR HA H 24 4.060 4.060 3.833 0.227 19667 3128 1 10 . 1 1 24 24 THR C C 24 173.550 173.550 173.353 0.197 19667 3129 1 10 . 1 1 24 24 THR CA C 24 65.800 65.800 62.593 3.207 19667 3130 1 10 . 1 1 24 24 THR CB C 24 69.240 69.240 67.485 1.755 19667 3131 1 10 . 1 1 24 24 THR H H 24 9.140 9.140 8.953 0.187 19667 3132 1 10 . 1 1 25 25 LEU N N 25 124.680 124.680 119.456 5.224 19667 3133 1 10 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.956 -0.206 19667 3134 1 10 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.456 2.174 19667 3135 1 10 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.560 -5.250 19667 3136 1 10 . 1 1 25 25 LEU H H 25 8.090 8.090 7.510 0.580 19667 3137 1 10 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.692 0.458 19667 3138 1 10 . 1 1 26 26 PRO C C 26 176.040 176.040 175.609 0.431 19667 3139 1 10 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.672 -0.742 19667 3140 1 10 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.921 0.469 19667 3141 1 10 . 1 1 27 27 ALA N N 27 121.180 121.180 123.769 -2.589 19667 3142 1 10 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.693 0.327 19667 3143 1 10 . 1 1 27 27 ALA C C 27 176.000 176.000 175.371 0.629 19667 3144 1 10 . 1 1 27 27 ALA CA C 27 50.600 50.600 51.288 -0.688 19667 3145 1 10 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.038 1.082 19667 3146 1 10 . 1 1 27 27 ALA H H 27 8.970 8.970 8.882 0.088 19667 3147 1 10 . 1 1 28 28 THR N N 28 113.950 113.950 119.504 -5.554 19667 3148 1 10 . 1 1 28 28 THR HA H 28 5.060 5.060 4.918 0.142 19667 3149 1 10 . 1 1 28 28 THR C C 28 174.890 174.890 174.490 0.400 19667 3150 1 10 . 1 1 28 28 THR CA C 28 60.810 60.810 61.580 -0.770 19667 3151 1 10 . 1 1 28 28 THR CB C 28 71.020 71.020 69.859 1.161 19667 3152 1 10 . 1 1 28 28 THR H H 28 7.960 7.960 8.445 -0.485 19667 3153 1 10 . 1 1 29 29 ILE N N 29 125.420 125.420 129.455 -4.035 19667 3154 1 10 . 1 1 29 29 ILE HA H 29 3.960 3.960 3.941 0.019 19667 3155 1 10 . 1 1 29 29 ILE C C 29 176.190 176.190 176.121 0.069 19667 3156 1 10 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.953 0.937 19667 3157 1 10 . 1 1 29 29 ILE CB C 29 37.770 37.770 36.936 0.834 19667 3158 1 10 . 1 1 29 29 ILE H H 29 8.940 8.940 8.372 0.568 19667 3159 1 10 . 1 1 30 30 SER N N 30 126.420 126.420 124.682 1.738 19667 3160 1 10 . 1 1 30 30 SER HA H 30 4.720 4.720 4.507 0.213 19667 3161 1 10 . 1 1 30 30 SER C C 30 173.780 173.780 174.134 -0.354 19667 3162 1 10 . 1 1 30 30 SER CA C 30 59.130 59.130 59.452 -0.322 19667 3163 1 10 . 1 1 30 30 SER CB C 30 64.890 64.890 64.213 0.677 19667 3164 1 10 . 1 1 30 30 SER H H 30 9.750 9.750 8.379 1.371 19667 3165 1 10 . 1 1 31 31 GLU N N 31 120.570 120.570 119.419 1.151 19667 3166 1 10 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.522 -0.012 19667 3167 1 10 . 1 1 31 31 GLU C C 31 173.520 173.520 174.094 -0.574 19667 3168 1 10 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.995 0.535 19667 3169 1 10 . 1 1 31 31 GLU CB C 31 34.550 34.550 34.220 0.330 19667 3170 1 10 . 1 1 31 31 GLU H H 31 7.980 7.980 7.728 0.252 19667 3171 1 10 . 1 1 32 32 VAL N N 32 123.360 123.360 120.780 2.580 19667 3172 1 10 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.330 0.030 19667 3173 1 10 . 1 1 32 32 VAL C C 32 174.100 174.100 173.965 0.135 19667 3174 1 10 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.305 1.685 19667 3175 1 10 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.598 -0.638 19667 3176 1 10 . 1 1 32 32 VAL H H 32 8.920 8.920 8.317 0.603 19667 3177 1 10 . 1 1 33 33 ASN N N 33 126.240 126.240 126.808 -0.568 19667 3178 1 10 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.033 0.067 19667 3179 1 10 . 1 1 33 33 ASN C C 33 174.950 174.950 175.144 -0.194 19667 3180 1 10 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.620 -0.230 19667 3181 1 10 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.691 -0.181 19667 3182 1 10 . 1 1 33 33 ASN H H 33 8.880 8.880 9.183 -0.303 19667 3183 1 10 . 1 1 34 34 ALA N N 34 126.960 126.960 127.507 -0.547 19667 3184 1 10 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.316 -0.186 19667 3185 1 10 . 1 1 34 34 ALA C C 34 179.800 179.800 179.652 0.148 19667 3186 1 10 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.701 0.929 19667 3187 1 10 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.727 -0.087 19667 3188 1 10 . 1 1 34 34 ALA H H 34 9.120 9.120 8.973 0.147 19667 3189 1 10 . 1 1 35 35 GLU N N 35 118.690 118.690 119.552 -0.862 19667 3190 1 10 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.068 -0.008 19667 3191 1 10 . 1 1 35 35 GLU C C 35 177.960 177.960 177.939 0.021 19667 3192 1 10 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.981 0.749 19667 3193 1 10 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.619 -0.288 19667 3194 1 10 . 1 1 35 35 GLU H H 35 8.710 8.710 8.460 0.250 19667 3195 1 10 . 1 1 36 36 GLN N N 36 113.480 113.480 115.674 -2.194 19667 3196 1 10 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.591 -0.301 19667 3197 1 10 . 1 1 36 36 GLN C C 36 173.890 173.890 174.674 -0.784 19667 3198 1 10 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.706 0.014 19667 3199 1 10 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.449 0.861 19667 3200 1 10 . 1 1 36 36 GLN H H 36 7.240 7.240 7.865 -0.625 19667 3201 1 10 . 1 1 37 37 GLN N N 37 116.180 116.180 114.228 1.952 19667 3202 1 10 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.220 -2.080 19667 3203 1 10 . 1 1 37 37 GLN C C 37 174.570 174.570 175.150 -0.580 19667 3204 1 10 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.406 -0.796 19667 3205 1 10 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.400 -0.660 19667 3206 1 10 . 1 1 37 37 GLN H H 37 7.550 7.550 7.972 -0.422 19667 3207 1 10 . 1 1 38 38 LYS N N 38 116.330 116.330 117.180 -0.850 19667 3208 1 10 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.590 0.420 19667 3209 1 10 . 1 1 38 38 LYS C C 38 173.820 173.820 173.726 0.094 19667 3210 1 10 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.011 -0.181 19667 3211 1 10 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.808 0.992 19667 3212 1 10 . 1 1 38 38 LYS H H 38 7.790 7.790 8.495 -0.705 19667 3213 1 10 . 1 1 39 39 LEU N N 39 120.450 120.450 121.753 -1.303 19667 3214 1 10 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.446 0.594 19667 3215 1 10 . 1 1 39 39 LEU C C 39 175.870 175.870 173.881 1.989 19667 3216 1 10 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.567 -0.347 19667 3217 1 10 . 1 1 39 39 LEU CB C 39 46.580 46.580 46.053 0.527 19667 3218 1 10 . 1 1 39 39 LEU H H 39 9.340 9.340 8.988 0.352 19667 3219 1 10 . 1 1 40 40 LYS N N 40 120.660 120.660 123.661 -3.001 19667 3220 1 10 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.676 0.444 19667 3221 1 10 . 1 1 40 40 LYS C C 40 176.120 176.120 174.429 1.691 19667 3222 1 10 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.881 0.939 19667 3223 1 10 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.797 -1.417 19667 3224 1 10 . 1 1 40 40 LYS H H 40 8.590 8.590 8.963 -0.373 19667 3225 1 10 . 1 1 41 41 VAL N N 41 117.680 117.680 125.384 -7.704 19667 3226 1 10 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.642 0.608 19667 3227 1 10 . 1 1 41 41 VAL C C 41 173.490 173.490 172.734 0.756 19667 3228 1 10 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.898 -2.248 19667 3229 1 10 . 1 1 41 41 VAL CB C 41 34.540 34.540 36.184 -1.644 19667 3230 1 10 . 1 1 41 41 VAL H H 41 9.160 9.160 8.809 0.351 19667 3231 1 10 . 1 1 42 42 LEU N N 42 120.900 120.900 128.234 -7.334 19667 3232 1 10 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.638 0.192 19667 3233 1 10 . 1 1 42 42 LEU C C 42 176.810 176.810 173.997 2.813 19667 3234 1 10 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.451 -0.111 19667 3235 1 10 . 1 1 42 42 LEU CB C 42 43.290 43.290 45.281 -1.991 19667 3236 1 10 . 1 1 42 42 LEU H H 42 8.970 8.970 8.747 0.223 19667 3237 1 10 . 1 1 43 43 VAL N N 43 124.360 124.360 124.600 -0.240 19667 3238 1 10 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.353 0.017 19667 3239 1 10 . 1 1 43 43 VAL C C 43 174.820 174.820 174.416 0.404 19667 3240 1 10 . 1 1 43 43 VAL CA C 43 60.450 60.450 59.814 0.636 19667 3241 1 10 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.722 -0.723 19667 3242 1 10 . 1 1 43 43 VAL H H 43 8.670 8.670 7.786 0.884 19667 3243 1 10 . 1 1 44 44 SER N N 44 121.390 121.390 123.185 -1.795 19667 3244 1 10 . 1 1 44 44 SER HA H 44 4.770 4.770 4.603 0.167 19667 3245 1 10 . 1 1 44 44 SER C C 44 173.610 173.610 173.498 0.112 19667 3246 1 10 . 1 1 44 44 SER CA C 44 57.440 57.440 57.636 -0.196 19667 3247 1 10 . 1 1 44 44 SER CB C 44 63.070 63.070 63.202 -0.132 19667 3248 1 10 . 1 1 44 44 SER H H 44 8.870 8.870 8.367 0.503 19667 3249 1 10 . 1 1 45 45 ILE N N 45 126.730 126.730 124.727 2.003 19667 3250 1 10 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.244 -0.024 19667 3251 1 10 . 1 1 45 45 ILE CA C 45 59.970 59.970 60.112 -0.142 19667 3252 1 10 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.728 -1.668 19667 3253 1 10 . 1 1 45 45 ILE H H 45 8.320 8.320 9.028 -0.708 19667 3254 1 10 . 1 1 46 46 PHE N N 46 125.740 125.740 124.282 1.458 19667 3255 1 10 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.183 0.167 19667 3256 1 10 . 1 1 46 46 PHE C C 46 176.020 176.020 176.626 -0.606 19667 3257 1 10 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.739 -1.229 19667 3258 1 10 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.183 -1.113 19667 3259 1 10 . 1 1 46 46 PHE H H 46 9.050 9.050 8.660 0.390 19667 3260 1 10 . 1 1 47 47 GLY N N 47 104.300 104.300 112.572 -8.272 19667 3261 1 10 . 1 1 47 47 GLY C C 47 173.560 173.560 173.828 -0.268 19667 3262 1 10 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.223 0.327 19667 3263 1 10 . 1 1 47 47 GLY H H 47 8.340 8.340 8.735 -0.395 19667 3264 1 10 . 1 1 48 48 ARG N N 48 120.650 120.650 118.284 2.366 19667 3265 1 10 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.421 0.229 19667 3266 1 10 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.450 -0.780 19667 3267 1 10 . 1 1 48 48 ARG CB C 48 31.910 31.910 34.145 -2.235 19667 3268 1 10 . 1 1 48 48 ARG H H 48 7.870 7.870 8.678 -0.808 19667 3269 1 10 . 1 1 49 49 GLU N N 49 126.100 126.100 126.174 -0.074 19667 3270 1 10 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.168 -0.508 19667 3271 1 10 . 1 1 49 49 GLU C C 49 176.320 176.320 175.904 0.416 19667 3272 1 10 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.341 1.399 19667 3273 1 10 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.103 -1.813 19667 3274 1 10 . 1 1 49 49 GLU H H 49 8.790 8.790 8.635 0.155 19667 3275 1 10 . 1 1 50 50 THR N N 50 123.540 123.540 120.829 2.711 19667 3276 1 10 . 1 1 50 50 THR HA H 50 4.810 4.810 4.745 0.065 19667 3277 1 10 . 1 1 50 50 THR CA C 50 59.920 59.920 59.395 0.525 19667 3278 1 10 . 1 1 50 50 THR CB C 50 72.350 72.350 69.462 2.889 19667 3279 1 10 . 1 1 50 50 THR H H 50 9.110 9.110 8.156 0.954 19667 3280 1 10 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.341 0.989 19667 3281 1 10 . 1 1 51 51 PRO C C 51 176.800 176.800 175.633 1.167 19667 3282 1 10 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.288 -0.558 19667 3283 1 10 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.442 -0.332 19667 3284 1 10 . 1 1 52 52 VAL N N 52 123.010 123.010 121.119 1.891 19667 3285 1 10 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.403 -0.133 19667 3286 1 10 . 1 1 52 52 VAL C C 52 173.750 173.750 173.594 0.156 19667 3287 1 10 . 1 1 52 52 VAL CA C 52 61.380 61.380 59.805 1.575 19667 3288 1 10 . 1 1 52 52 VAL CB C 52 35.890 35.890 36.455 -0.565 19667 3289 1 10 . 1 1 52 52 VAL H H 52 9.110 9.110 8.779 0.331 19667 3290 1 10 . 1 1 53 53 GLU N N 53 126.730 126.730 127.459 -0.729 19667 3291 1 10 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.435 0.765 19667 3292 1 10 . 1 1 53 53 GLU C C 53 174.980 174.980 174.989 -0.009 19667 3293 1 10 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.627 -0.127 19667 3294 1 10 . 1 1 53 53 GLU CB C 53 31.410 31.410 30.746 0.664 19667 3295 1 10 . 1 1 53 53 GLU H H 53 8.570 8.570 8.559 0.011 19667 3296 1 10 . 1 1 54 54 LEU N N 54 126.200 126.200 126.881 -0.681 19667 3297 1 10 . 1 1 54 54 LEU HA H 54 5.010 5.010 5.002 0.008 19667 3298 1 10 . 1 1 54 54 LEU C C 54 175.940 175.940 175.791 0.149 19667 3299 1 10 . 1 1 54 54 LEU CA C 54 53.400 53.400 52.726 0.674 19667 3300 1 10 . 1 1 54 54 LEU CB C 54 47.360 47.360 47.106 0.254 19667 3301 1 10 . 1 1 54 54 LEU H H 54 8.850 8.850 8.879 -0.029 19667 3302 1 10 . 1 1 55 55 THR N N 55 111.050 111.050 111.123 -0.073 19667 3303 1 10 . 1 1 55 55 THR HA H 55 5.210 5.210 4.555 0.655 19667 3304 1 10 . 1 1 55 55 THR C C 55 176.450 176.450 174.719 1.731 19667 3305 1 10 . 1 1 55 55 THR CA C 55 60.760 60.760 59.694 1.065 19667 3306 1 10 . 1 1 55 55 THR CB C 55 70.930 70.930 71.025 -0.094 19667 3307 1 10 . 1 1 55 55 THR H H 55 9.140 9.140 8.749 0.391 19667 3308 1 10 . 1 1 56 56 PHE N N 56 119.120 119.120 123.400 -4.280 19667 3309 1 10 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.434 -0.284 19667 3310 1 10 . 1 1 56 56 PHE CA C 56 58.570 58.570 61.216 -2.646 19667 3311 1 10 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.091 -0.261 19667 3312 1 10 . 1 1 56 56 PHE H H 56 8.100 8.100 8.168 -0.068 19667 3313 1 10 . 1 1 57 57 GLY N N 57 103.400 103.400 113.279 -9.879 19667 3314 1 10 . 1 1 57 57 GLY C C 57 174.880 174.880 175.056 -0.176 19667 3315 1 10 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.266 0.534 19667 3316 1 10 . 1 1 57 57 GLY H H 57 8.360 8.360 8.520 -0.160 19667 3317 1 10 . 1 1 58 58 GLN N N 58 117.080 117.080 120.081 -3.001 19667 3318 1 10 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.174 0.216 19667 3319 1 10 . 1 1 58 58 GLN C C 58 174.120 174.120 175.032 -0.912 19667 3320 1 10 . 1 1 58 58 GLN CA C 58 56.370 56.370 57.045 -0.675 19667 3321 1 10 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.391 2.649 19667 3322 1 10 . 1 1 58 58 GLN H H 58 7.790 7.790 8.303 -0.513 19667 3323 1 10 . 1 1 59 59 VAL N N 59 110.280 110.280 110.788 -0.508 19667 3324 1 10 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.200 0.050 19667 3325 1 10 . 1 1 59 59 VAL C C 59 173.600 173.600 173.886 -0.286 19667 3326 1 10 . 1 1 59 59 VAL CA C 59 58.820 58.820 59.060 -0.241 19667 3327 1 10 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.249 0.741 19667 3328 1 10 . 1 1 59 59 VAL H H 59 7.350 7.350 7.242 0.108 19667 3329 1 10 . 1 1 60 60 SER N N 60 112.630 112.630 116.673 -4.043 19667 3330 1 10 . 1 1 60 60 SER HA H 60 4.910 4.910 4.915 -0.005 19667 3331 1 10 . 1 1 60 60 SER C C 60 173.830 173.830 174.449 -0.619 19667 3332 1 10 . 1 1 60 60 SER CA C 60 56.860 56.860 56.230 0.630 19667 3333 1 10 . 1 1 60 60 SER CB C 60 66.280 66.280 64.872 1.408 19667 3334 1 10 . 1 1 60 60 SER H H 60 8.510 8.510 8.117 0.393 19667 3335 1 10 . 1 1 61 61 LYS N N 61 124.640 124.640 125.884 -1.244 19667 3336 1 10 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.378 0.232 19667 3337 1 10 . 1 1 61 61 LYS C C 61 176.290 176.290 176.500 -0.210 19667 3338 1 10 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.216 1.254 19667 3339 1 10 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.599 -0.039 19667 3340 1 10 . 1 1 61 61 LYS H H 61 8.720 8.720 8.611 0.109 19667 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 55 3.162 0.624 3.128 19667 2 1 1 "Average Difference" HA 64 0.455 -0.108 0.446 19667 3 1 1 "Average Difference" C 52 0.882 -0.058 0.889 19667 4 1 1 "Average Difference" CA 60 1.069 -0.099 1.073 19667 5 1 1 "Average Difference" CB 56 1.377 0.001 1.389 19667 6 1 1 "Average Difference" HN 55 0.470 -0.128 0.457 19667 7 1 2 "Average Difference" N 55 2.832 0.642 2.784 19667 8 1 2 "Average Difference" HA 64 0.431 -0.094 0.423 19667 9 1 2 "Average Difference" C 52 0.867 -0.068 0.873 19667 10 1 2 "Average Difference" CA 60 1.020 -0.147 1.018 19667 11 1 2 "Average Difference" CB 56 1.390 0.066 1.401 19667 12 1 2 "Average Difference" HN 55 0.461 -0.092 0.456 19667 13 1 3 "Average Difference" N 55 2.790 0.763 2.709 19667 14 1 3 "Average Difference" HA 64 0.414 -0.077 0.410 19667 15 1 3 "Average Difference" C 52 0.841 -0.014 0.849 19667 16 1 3 "Average Difference" CA 60 1.010 -0.104 1.013 19667 17 1 3 "Average Difference" CB 56 1.434 0.029 1.446 19667 18 1 3 "Average Difference" HN 55 0.490 -0.104 0.484 19667 19 1 4 "Average Difference" N 55 2.880 0.896 2.762 19667 20 1 4 "Average Difference" HA 64 0.424 -0.067 0.422 19667 21 1 4 "Average Difference" C 52 0.852 -0.004 0.860 19667 22 1 4 "Average Difference" CA 60 0.966 -0.214 0.950 19667 23 1 4 "Average Difference" CB 56 1.481 -0.021 1.494 19667 24 1 4 "Average Difference" HN 55 0.493 -0.080 0.490 19667 25 1 5 "Average Difference" N 55 2.880 0.758 2.804 19667 26 1 5 "Average Difference" HA 64 0.340 -0.071 0.335 19667 27 1 5 "Average Difference" C 52 0.843 -0.092 0.847 19667 28 1 5 "Average Difference" CA 60 0.944 -0.240 0.921 19667 29 1 5 "Average Difference" CB 56 1.460 0.111 1.469 19667 30 1 5 "Average Difference" HN 55 0.443 -0.103 0.435 19667 31 1 6 "Average Difference" N 55 2.723 0.874 2.603 19667 32 1 6 "Average Difference" HA 64 0.414 -0.098 0.405 19667 33 1 6 "Average Difference" C 52 0.849 0.027 0.857 19667 34 1 6 "Average Difference" CA 60 0.961 -0.134 0.960 19667 35 1 6 "Average Difference" CB 56 1.502 0.013 1.515 19667 36 1 6 "Average Difference" HN 55 0.480 -0.091 0.476 19667 37 1 7 "Average Difference" N 55 2.915 0.935 2.787 19667 38 1 7 "Average Difference" HA 64 0.404 -0.045 0.405 19667 39 1 7 "Average Difference" C 52 0.827 -0.020 0.835 19667 40 1 7 "Average Difference" CA 60 0.874 -0.158 0.867 19667 41 1 7 "Average Difference" CB 56 1.384 0.146 1.389 19667 42 1 7 "Average Difference" HN 55 0.450 -0.045 0.452 19667 43 1 8 "Average Difference" N 55 3.120 0.697 3.069 19667 44 1 8 "Average Difference" HA 64 0.419 -0.091 0.412 19667 45 1 8 "Average Difference" C 52 0.877 0.053 0.884 19667 46 1 8 "Average Difference" CA 60 1.073 -0.003 1.082 19667 47 1 8 "Average Difference" CB 56 1.457 -0.032 1.470 19667 48 1 8 "Average Difference" HN 55 0.453 -0.113 0.442 19667 49 1 9 "Average Difference" N 55 3.060 0.796 2.982 19667 50 1 9 "Average Difference" HA 64 0.421 -0.114 0.408 19667 51 1 9 "Average Difference" C 52 0.875 0.008 0.884 19667 52 1 9 "Average Difference" CA 60 1.184 -0.030 1.193 19667 53 1 9 "Average Difference" CB 56 1.501 -0.058 1.513 19667 54 1 9 "Average Difference" HN 55 0.477 -0.127 0.464 19667 55 1 10 "Average Difference" N 55 3.279 0.827 3.202 19667 56 1 10 "Average Difference" HA 64 0.427 -0.096 0.420 19667 57 1 10 "Average Difference" C 52 0.975 0.019 0.984 19667 58 1 10 "Average Difference" CA 60 1.153 -0.015 1.163 19667 59 1 10 "Average Difference" CB 56 1.432 0.075 1.443 19667 60 1 10 "Average Difference" HN 55 0.485 -0.110 0.477 19667 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 19667 _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 ARG HA H 2 4.670 4.670 4.512 0.158 19667 2 1 . 1 1 2 2 ARG CA C 2 54.250 54.250 55.940 -1.690 19667 3 1 . 1 1 2 2 ARG CB C 2 30.250 30.250 30.292 -0.042 19667 4 1 . 1 1 3 3 PRO HA H 3 4.490 4.490 4.515 -0.025 19667 5 1 . 1 1 3 3 PRO CA C 3 63.170 63.170 62.791 0.379 19667 6 1 . 1 1 3 3 PRO CB C 3 32.120 32.120 32.404 -0.284 19667 7 1 . 1 1 4 4 VAL N N 4 121.160 121.160 121.168 -0.008 19667 8 1 . 1 1 4 4 VAL HA H 4 4.080 4.080 4.365 -0.285 19667 9 1 . 1 1 4 4 VAL C C 4 175.940 175.940 175.373 0.567 19667 10 1 . 1 1 4 4 VAL CA C 4 62.730 62.730 61.386 1.344 19667 11 1 . 1 1 4 4 VAL CB C 4 32.740 32.740 33.766 -1.025 19667 12 1 . 1 1 4 4 VAL H H 4 8.310 8.310 8.108 0.202 19667 13 1 . 1 1 5 5 VAL N N 5 123.660 123.660 122.760 0.900 19667 14 1 . 1 1 5 5 VAL HA H 5 4.200 4.200 4.324 -0.124 19667 15 1 . 1 1 5 5 VAL C C 5 175.520 175.520 175.776 -0.256 19667 16 1 . 1 1 5 5 VAL CA C 5 61.940 61.940 61.845 0.096 19667 17 1 . 1 1 5 5 VAL CB C 5 33.130 33.130 33.231 -0.101 19667 18 1 . 1 1 5 5 VAL H H 5 8.160 8.160 8.257 -0.097 19667 19 1 . 1 1 6 6 GLU N N 6 125.610 125.610 123.013 2.596 19667 20 1 . 1 1 6 6 GLU HA H 6 4.330 4.330 4.307 0.023 19667 21 1 . 1 1 6 6 GLU C C 6 175.520 175.520 175.945 -0.425 19667 22 1 . 1 1 6 6 GLU CA C 6 56.560 56.560 56.802 -0.243 19667 23 1 . 1 1 6 6 GLU CB C 6 30.160 30.160 30.547 -0.387 19667 24 1 . 1 1 6 6 GLU H H 6 8.530 8.530 8.395 0.135 19667 25 1 . 1 1 7 7 VAL N N 7 119.540 119.540 120.901 -1.361 19667 26 1 . 1 1 7 7 VAL HA H 7 4.170 4.170 4.022 0.148 19667 27 1 . 1 1 7 7 VAL C C 7 174.070 174.070 174.761 -0.691 19667 28 1 . 1 1 7 7 VAL CA C 7 61.230 61.230 62.209 -0.979 19667 29 1 . 1 1 7 7 VAL CB C 7 33.630 33.630 32.379 1.251 19667 30 1 . 1 1 7 7 VAL H H 7 8.030 8.030 8.085 -0.055 19667 31 1 . 1 1 8 8 ASP N N 8 123.880 123.880 122.483 1.397 19667 32 1 . 1 1 8 8 ASP HA H 8 4.630 4.630 4.716 -0.086 19667 33 1 . 1 1 8 8 ASP C C 8 174.090 174.090 174.646 -0.556 19667 34 1 . 1 1 8 8 ASP CA C 8 53.590 53.590 53.330 0.260 19667 35 1 . 1 1 8 8 ASP CB C 8 42.410 42.410 42.914 -0.504 19667 36 1 . 1 1 8 8 ASP H H 8 8.040 8.040 8.038 0.002 19667 37 1 . 1 1 9 9 TYR N N 9 118.630 118.630 119.691 -1.061 19667 38 1 . 1 1 9 9 TYR HA H 9 4.770 4.770 4.786 -0.016 19667 39 1 . 1 1 9 9 TYR C C 9 174.260 174.260 175.804 -1.544 19667 40 1 . 1 1 9 9 TYR CA C 9 57.320 57.320 57.420 -0.100 19667 41 1 . 1 1 9 9 TYR CB C 9 42.770 42.770 41.169 1.601 19667 42 1 . 1 1 9 9 TYR H H 9 7.760 7.760 8.527 -0.767 19667 43 1 . 1 1 10 10 GLU N N 10 119.600 119.600 120.448 -0.847 19667 44 1 . 1 1 10 10 GLU HA H 10 4.690 4.690 4.726 -0.036 19667 45 1 . 1 1 10 10 GLU C C 10 175.220 175.220 175.495 -0.276 19667 46 1 . 1 1 10 10 GLU CA C 10 53.880 53.880 54.743 -0.863 19667 47 1 . 1 1 10 10 GLU CB C 10 30.730 30.730 33.330 -2.600 19667 48 1 . 1 1 10 10 GLU H H 10 8.710 8.710 8.761 -0.051 19667 49 1 . 1 1 11 11 VAL N N 11 121.500 121.500 120.426 1.074 19667 50 1 . 1 1 11 11 VAL HA H 11 3.220 3.220 3.845 -0.625 19667 51 1 . 1 1 11 11 VAL C C 11 177.320 177.320 177.536 -0.216 19667 52 1 . 1 1 11 11 VAL CA C 11 65.750 65.750 63.712 2.038 19667 53 1 . 1 1 11 11 VAL CB C 11 31.500 31.500 31.625 -0.125 19667 54 1 . 1 1 11 11 VAL H H 11 8.600 8.600 8.576 0.024 19667 55 1 . 1 1 12 12 GLY N N 12 115.830 115.830 115.444 0.386 19667 56 1 . 1 1 12 12 GLY C C 12 173.830 173.830 173.974 -0.144 19667 57 1 . 1 1 12 12 GLY CA C 12 44.710 44.710 44.760 -0.050 19667 58 1 . 1 1 12 12 GLY H H 12 8.990 8.990 8.687 0.303 19667 59 1 . 1 1 13 13 GLU N N 13 121.780 121.780 121.089 0.691 19667 60 1 . 1 1 13 13 GLU HA H 13 4.340 4.340 4.507 -0.167 19667 61 1 . 1 1 13 13 GLU C C 13 175.460 175.460 175.288 0.172 19667 62 1 . 1 1 13 13 GLU CA C 13 56.960 56.960 55.616 1.344 19667 63 1 . 1 1 13 13 GLU CB C 13 31.710 31.710 31.370 0.340 19667 64 1 . 1 1 13 13 GLU H H 13 7.760 7.760 7.654 0.106 19667 65 1 . 1 1 14 14 SER N N 14 119.230 119.230 116.938 2.292 19667 66 1 . 1 1 14 14 SER HA H 14 5.350 5.350 5.359 -0.010 19667 67 1 . 1 1 14 14 SER C C 14 173.600 173.600 173.796 -0.196 19667 68 1 . 1 1 14 14 SER CA C 14 58.280 58.280 57.315 0.965 19667 69 1 . 1 1 14 14 SER CB C 14 64.350 64.350 64.403 -0.053 19667 70 1 . 1 1 14 14 SER H H 14 8.650 8.650 8.484 0.166 19667 71 1 . 1 1 15 15 VAL N N 15 116.180 116.180 119.472 -3.292 19667 72 1 . 1 1 15 15 VAL HA H 15 5.010 5.010 4.867 0.143 19667 73 1 . 1 1 15 15 VAL C C 15 174.220 174.220 174.359 -0.139 19667 74 1 . 1 1 15 15 VAL CA C 15 58.810 58.810 59.677 -0.867 19667 75 1 . 1 1 15 15 VAL CB C 15 36.680 36.680 35.270 1.409 19667 76 1 . 1 1 15 15 VAL H H 15 8.920 8.920 9.005 -0.085 19667 77 1 . 1 1 16 16 THR N N 16 116.710 116.710 118.610 -1.900 19667 78 1 . 1 1 16 16 THR HA H 16 4.700 4.700 4.857 -0.157 19667 79 1 . 1 1 16 16 THR C C 16 174.300 174.300 174.906 -0.606 19667 80 1 . 1 1 16 16 THR CA C 16 61.850 61.850 62.114 -0.264 19667 81 1 . 1 1 16 16 THR CB C 16 70.070 70.070 69.893 0.177 19667 82 1 . 1 1 16 16 THR H H 16 8.890 8.890 8.485 0.405 19667 83 1 . 1 1 17 17 VAL N N 17 127.930 127.930 127.017 0.913 19667 84 1 . 1 1 17 17 VAL HA H 17 3.850 3.850 3.746 0.104 19667 85 1 . 1 1 17 17 VAL C C 17 176.880 176.880 175.821 1.059 19667 86 1 . 1 1 17 17 VAL CA C 17 64.550 64.550 64.602 -0.051 19667 87 1 . 1 1 17 17 VAL CB C 17 30.690 30.690 31.685 -0.995 19667 88 1 . 1 1 17 17 VAL H H 17 8.820 8.820 9.022 -0.202 19667 89 1 . 1 1 18 18 MET N N 18 124.420 124.420 125.485 -1.065 19667 90 1 . 1 1 18 18 MET HA H 18 4.860 4.860 4.647 0.213 19667 91 1 . 1 1 18 18 MET C C 18 175.360 175.360 175.674 -0.314 19667 92 1 . 1 1 18 18 MET CA C 18 54.440 54.440 55.591 -1.151 19667 93 1 . 1 1 18 18 MET CB C 18 32.720 32.720 33.718 -0.998 19667 94 1 . 1 1 18 18 MET H H 18 9.070 9.070 8.707 0.363 19667 95 1 . 1 1 19 19 ASP N N 19 118.000 118.000 119.225 -1.225 19667 96 1 . 1 1 19 19 ASP HA H 19 5.000 5.000 4.791 0.209 19667 97 1 . 1 1 19 19 ASP C C 19 174.380 174.380 175.979 -1.599 19667 98 1 . 1 1 19 19 ASP CA C 19 53.280 53.280 53.651 -0.371 19667 99 1 . 1 1 19 19 ASP CB C 19 46.230 46.230 42.813 3.417 19667 100 1 . 1 1 19 19 ASP H H 19 7.380 7.380 7.655 -0.275 19667 101 1 . 1 1 20 20 GLY N N 20 107.900 107.900 110.997 -3.097 19667 102 1 . 1 1 20 20 GLY CA C 20 45.270 45.270 44.628 0.642 19667 103 1 . 1 1 20 20 GLY H H 20 8.280 8.280 8.012 0.268 19667 104 1 . 1 1 21 21 PRO HA H 21 4.170 4.170 4.360 -0.190 19667 105 1 . 1 1 21 21 PRO C C 21 177.580 177.580 176.266 1.314 19667 106 1 . 1 1 21 21 PRO CA C 21 64.400 64.400 64.487 -0.087 19667 107 1 . 1 1 21 21 PRO CB C 21 31.670 31.670 31.694 -0.024 19667 108 1 . 1 1 22 22 PHE N N 22 116.800 116.800 117.229 -0.429 19667 109 1 . 1 1 22 22 PHE HA H 22 4.720 4.720 4.607 0.113 19667 110 1 . 1 1 22 22 PHE C C 22 173.130 173.130 175.366 -2.236 19667 111 1 . 1 1 22 22 PHE CA C 22 56.140 56.140 56.452 -0.312 19667 112 1 . 1 1 22 22 PHE CB C 22 36.950 36.950 38.204 -1.254 19667 113 1 . 1 1 22 22 PHE H H 22 8.870 8.870 7.733 1.137 19667 114 1 . 1 1 23 23 ALA N N 23 120.160 120.160 121.845 -1.685 19667 115 1 . 1 1 23 23 ALA HA H 23 3.590 3.590 4.065 -0.475 19667 116 1 . 1 1 23 23 ALA C C 23 178.830 178.830 177.911 0.919 19667 117 1 . 1 1 23 23 ALA CA C 23 53.570 53.570 53.234 0.336 19667 118 1 . 1 1 23 23 ALA CB C 23 18.470 18.470 18.980 -0.510 19667 119 1 . 1 1 23 23 ALA H H 23 7.410 7.410 7.344 0.066 19667 120 1 . 1 1 24 24 THR N N 24 114.390 114.390 113.213 1.177 19667 121 1 . 1 1 24 24 THR HA H 24 4.060 4.060 3.868 0.192 19667 122 1 . 1 1 24 24 THR C C 24 173.550 173.550 173.360 0.190 19667 123 1 . 1 1 24 24 THR CA C 24 65.800 65.800 63.327 2.473 19667 124 1 . 1 1 24 24 THR CB C 24 69.240 69.240 66.914 2.326 19667 125 1 . 1 1 24 24 THR H H 24 9.140 9.140 8.845 0.295 19667 126 1 . 1 1 25 25 LEU N N 25 124.680 124.680 119.605 5.075 19667 127 1 . 1 1 25 25 LEU HA H 25 4.750 4.750 4.880 -0.130 19667 128 1 . 1 1 25 25 LEU CA C 25 53.630 53.630 51.789 1.841 19667 129 1 . 1 1 25 25 LEU CB C 25 40.310 40.310 45.679 -5.369 19667 130 1 . 1 1 25 25 LEU H H 25 8.090 8.090 7.558 0.532 19667 131 1 . 1 1 26 26 PRO HA H 26 5.150 5.150 4.624 0.526 19667 132 1 . 1 1 26 26 PRO C C 26 176.040 176.040 175.596 0.444 19667 133 1 . 1 1 26 26 PRO CA C 26 61.930 61.930 62.677 -0.747 19667 134 1 . 1 1 26 26 PRO CB C 26 32.390 32.390 31.727 0.663 19667 135 1 . 1 1 27 27 ALA N N 27 121.180 121.180 125.118 -3.938 19667 136 1 . 1 1 27 27 ALA HA H 27 5.020 5.020 4.881 0.139 19667 137 1 . 1 1 27 27 ALA C C 27 176.000 176.000 175.559 0.441 19667 138 1 . 1 1 27 27 ALA CA C 27 50.600 50.600 50.837 -0.237 19667 139 1 . 1 1 27 27 ALA CB C 27 24.120 24.120 23.079 1.041 19667 140 1 . 1 1 27 27 ALA H H 27 8.970 8.970 8.821 0.149 19667 141 1 . 1 1 28 28 THR N N 28 113.950 113.950 117.336 -3.386 19667 142 1 . 1 1 28 28 THR HA H 28 5.060 5.060 5.013 0.046 19667 143 1 . 1 1 28 28 THR C C 28 174.890 174.890 174.385 0.505 19667 144 1 . 1 1 28 28 THR CA C 28 60.810 60.810 61.351 -0.540 19667 145 1 . 1 1 28 28 THR CB C 28 71.020 71.020 70.398 0.622 19667 146 1 . 1 1 28 28 THR H H 28 7.960 7.960 8.404 -0.444 19667 147 1 . 1 1 29 29 ILE N N 29 125.420 125.420 129.170 -3.750 19667 148 1 . 1 1 29 29 ILE HA H 29 3.960 3.960 4.041 -0.081 19667 149 1 . 1 1 29 29 ILE C C 29 176.190 176.190 175.948 0.242 19667 150 1 . 1 1 29 29 ILE CA C 29 63.890 63.890 62.942 0.948 19667 151 1 . 1 1 29 29 ILE CB C 29 37.770 37.770 37.184 0.586 19667 152 1 . 1 1 29 29 ILE H H 29 8.940 8.940 8.671 0.269 19667 153 1 . 1 1 30 30 SER N N 30 126.420 126.420 124.253 2.167 19667 154 1 . 1 1 30 30 SER HA H 30 4.720 4.720 4.542 0.178 19667 155 1 . 1 1 30 30 SER C C 30 173.780 173.780 174.006 -0.225 19667 156 1 . 1 1 30 30 SER CA C 30 59.130 59.130 59.010 0.120 19667 157 1 . 1 1 30 30 SER CB C 30 64.890 64.890 64.379 0.511 19667 158 1 . 1 1 30 30 SER H H 30 9.750 9.750 8.451 1.299 19667 159 1 . 1 1 31 31 GLU N N 31 120.570 120.570 119.992 0.578 19667 160 1 . 1 1 31 31 GLU HA H 31 4.510 4.510 4.552 -0.042 19667 161 1 . 1 1 31 31 GLU C C 31 173.520 173.520 173.912 -0.392 19667 162 1 . 1 1 31 31 GLU CA C 31 56.530 56.530 55.822 0.708 19667 163 1 . 1 1 31 31 GLU CB C 31 34.550 34.550 33.890 0.660 19667 164 1 . 1 1 31 31 GLU H H 31 7.980 7.980 7.645 0.335 19667 165 1 . 1 1 32 32 VAL N N 32 123.360 123.360 121.943 1.417 19667 166 1 . 1 1 32 32 VAL HA H 32 4.360 4.360 4.288 0.072 19667 167 1 . 1 1 32 32 VAL C C 32 174.100 174.100 174.045 0.055 19667 168 1 . 1 1 32 32 VAL CA C 32 61.990 61.990 60.462 1.528 19667 169 1 . 1 1 32 32 VAL CB C 32 34.960 34.960 35.015 -0.055 19667 170 1 . 1 1 32 32 VAL H H 32 8.920 8.920 8.400 0.520 19667 171 1 . 1 1 33 33 ASN N N 33 126.240 126.240 126.694 -0.454 19667 172 1 . 1 1 33 33 ASN HA H 33 5.100 5.100 5.025 0.075 19667 173 1 . 1 1 33 33 ASN C C 33 174.950 174.950 175.128 -0.178 19667 174 1 . 1 1 33 33 ASN CA C 33 51.390 51.390 51.591 -0.201 19667 175 1 . 1 1 33 33 ASN CB C 33 38.510 38.510 38.808 -0.297 19667 176 1 . 1 1 33 33 ASN H H 33 8.880 8.880 9.187 -0.307 19667 177 1 . 1 1 34 34 ALA N N 34 126.960 126.960 127.563 -0.603 19667 178 1 . 1 1 34 34 ALA HA H 34 4.130 4.130 4.286 -0.156 19667 179 1 . 1 1 34 34 ALA C C 34 179.800 179.800 179.584 0.216 19667 180 1 . 1 1 34 34 ALA CA C 34 55.630 55.630 54.932 0.698 19667 181 1 . 1 1 34 34 ALA CB C 34 18.640 18.640 18.756 -0.116 19667 182 1 . 1 1 34 34 ALA H H 34 9.120 9.120 8.908 0.212 19667 183 1 . 1 1 35 35 GLU N N 35 118.690 118.690 119.256 -0.566 19667 184 1 . 1 1 35 35 GLU HA H 35 4.060 4.060 4.080 -0.020 19667 185 1 . 1 1 35 35 GLU C C 35 177.960 177.960 177.870 0.090 19667 186 1 . 1 1 35 35 GLU CA C 35 59.730 59.730 58.865 0.865 19667 187 1 . 1 1 35 35 GLU CB C 35 29.330 29.330 29.453 -0.122 19667 188 1 . 1 1 35 35 GLU H H 35 8.710 8.710 8.618 0.092 19667 189 1 . 1 1 36 36 GLN N N 36 113.480 113.480 115.672 -2.192 19667 190 1 . 1 1 36 36 GLN HA H 36 4.290 4.290 4.499 -0.209 19667 191 1 . 1 1 36 36 GLN C C 36 173.890 173.890 174.652 -0.762 19667 192 1 . 1 1 36 36 GLN CA C 36 54.720 54.720 54.936 -0.216 19667 193 1 . 1 1 36 36 GLN CB C 36 29.310 29.310 28.810 0.500 19667 194 1 . 1 1 36 36 GLN H H 36 7.240 7.240 7.816 -0.576 19667 195 1 . 1 1 37 37 GLN N N 37 116.180 116.180 114.950 1.230 19667 196 1 . 1 1 37 37 GLN HA H 37 2.140 2.140 4.065 -1.925 19667 197 1 . 1 1 37 37 GLN C C 37 174.570 174.570 175.029 -0.459 19667 198 1 . 1 1 37 37 GLN CA C 37 56.610 56.610 57.089 -0.479 19667 199 1 . 1 1 37 37 GLN CB C 37 25.740 25.740 26.280 -0.540 19667 200 1 . 1 1 37 37 GLN H H 37 7.550 7.550 7.846 -0.296 19667 201 1 . 1 1 38 38 LYS N N 38 116.330 116.330 117.410 -1.081 19667 202 1 . 1 1 38 38 LYS HA H 38 5.010 5.010 4.621 0.389 19667 203 1 . 1 1 38 38 LYS C C 38 173.820 173.820 174.032 -0.212 19667 204 1 . 1 1 38 38 LYS CA C 38 54.830 54.830 55.034 -0.204 19667 205 1 . 1 1 38 38 LYS CB C 38 37.800 37.800 36.269 1.531 19667 206 1 . 1 1 38 38 LYS H H 38 7.790 7.790 8.327 -0.537 19667 207 1 . 1 1 39 39 LEU N N 39 120.450 120.450 123.349 -2.899 19667 208 1 . 1 1 39 39 LEU HA H 39 5.040 5.040 4.449 0.591 19667 209 1 . 1 1 39 39 LEU C C 39 175.870 175.870 174.156 1.714 19667 210 1 . 1 1 39 39 LEU CA C 39 53.220 53.220 53.624 -0.404 19667 211 1 . 1 1 39 39 LEU CB C 39 46.580 46.580 45.770 0.809 19667 212 1 . 1 1 39 39 LEU H H 39 9.340 9.340 8.875 0.464 19667 213 1 . 1 1 40 40 LYS N N 40 120.660 120.660 122.937 -2.277 19667 214 1 . 1 1 40 40 LYS HA H 40 5.120 5.120 4.750 0.370 19667 215 1 . 1 1 40 40 LYS C C 40 176.120 176.120 174.920 1.200 19667 216 1 . 1 1 40 40 LYS CA C 40 55.820 55.820 54.827 0.993 19667 217 1 . 1 1 40 40 LYS CB C 40 34.380 34.380 35.528 -1.148 19667 218 1 . 1 1 40 40 LYS H H 40 8.590 8.590 8.987 -0.397 19667 219 1 . 1 1 41 41 VAL N N 41 117.680 117.680 120.622 -2.942 19667 220 1 . 1 1 41 41 VAL HA H 41 5.250 5.250 4.846 0.404 19667 221 1 . 1 1 41 41 VAL C C 41 173.490 173.490 173.181 0.309 19667 222 1 . 1 1 41 41 VAL CA C 41 57.650 57.650 59.662 -2.012 19667 223 1 . 1 1 41 41 VAL CB C 41 34.540 34.540 35.383 -0.843 19667 224 1 . 1 1 41 41 VAL H H 41 9.160 9.160 9.011 0.149 19667 225 1 . 1 1 42 42 LEU N N 42 120.900 120.900 125.115 -4.215 19667 226 1 . 1 1 42 42 LEU HA H 42 4.830 4.830 4.622 0.208 19667 227 1 . 1 1 42 42 LEU C C 42 176.810 176.810 174.510 2.300 19667 228 1 . 1 1 42 42 LEU CA C 42 53.340 53.340 53.444 -0.104 19667 229 1 . 1 1 42 42 LEU CB C 42 43.290 43.290 44.458 -1.168 19667 230 1 . 1 1 42 42 LEU H H 42 8.970 8.970 8.865 0.105 19667 231 1 . 1 1 43 43 VAL N N 43 124.360 124.360 124.118 0.242 19667 232 1 . 1 1 43 43 VAL HA H 43 4.370 4.370 4.311 0.060 19667 233 1 . 1 1 43 43 VAL C C 43 174.820 174.820 174.349 0.471 19667 234 1 . 1 1 43 43 VAL CA C 43 60.450 60.450 60.173 0.277 19667 235 1 . 1 1 43 43 VAL CB C 43 34.000 34.000 34.512 -0.512 19667 236 1 . 1 1 43 43 VAL H H 43 8.670 8.670 7.859 0.811 19667 237 1 . 1 1 44 44 SER N N 44 121.390 121.390 123.193 -1.803 19667 238 1 . 1 1 44 44 SER HA H 44 4.770 4.770 4.653 0.117 19667 239 1 . 1 1 44 44 SER C C 44 173.610 173.610 173.442 0.168 19667 240 1 . 1 1 44 44 SER CA C 44 57.440 57.440 57.749 -0.309 19667 241 1 . 1 1 44 44 SER CB C 44 63.070 63.070 63.619 -0.549 19667 242 1 . 1 1 44 44 SER H H 44 8.870 8.870 8.467 0.403 19667 243 1 . 1 1 45 45 ILE N N 45 126.730 126.730 124.947 1.783 19667 244 1 . 1 1 45 45 ILE HA H 45 4.220 4.220 4.245 -0.025 19667 245 1 . 1 1 45 45 ILE CA C 45 59.970 59.970 59.399 0.571 19667 246 1 . 1 1 45 45 ILE CB C 45 39.060 39.060 40.907 -1.847 19667 247 1 . 1 1 45 45 ILE H H 45 8.320 8.320 8.959 -0.639 19667 248 1 . 1 1 46 46 PHE N N 46 125.740 125.740 124.278 1.462 19667 249 1 . 1 1 46 46 PHE HA H 46 4.350 4.350 4.250 0.100 19667 250 1 . 1 1 46 46 PHE C C 46 176.020 176.020 176.833 -0.813 19667 251 1 . 1 1 46 46 PHE CA C 46 58.510 58.510 59.275 -0.765 19667 252 1 . 1 1 46 46 PHE CB C 46 37.070 37.070 38.098 -1.028 19667 253 1 . 1 1 46 46 PHE H H 46 9.050 9.050 8.448 0.601 19667 254 1 . 1 1 47 47 GLY N N 47 104.300 104.300 113.226 -8.926 19667 255 1 . 1 1 47 47 GLY C C 47 173.560 173.560 173.723 -0.163 19667 256 1 . 1 1 47 47 GLY CA C 47 45.550 45.550 45.166 0.384 19667 257 1 . 1 1 47 47 GLY H H 47 8.340 8.340 8.738 -0.398 19667 258 1 . 1 1 48 48 ARG N N 48 120.650 120.650 118.087 2.563 19667 259 1 . 1 1 48 48 ARG HA H 48 4.650 4.650 4.373 0.277 19667 260 1 . 1 1 48 48 ARG CA C 48 54.670 54.670 55.451 -0.782 19667 261 1 . 1 1 48 48 ARG CB C 48 31.910 31.910 33.659 -1.749 19667 262 1 . 1 1 48 48 ARG H H 48 7.870 7.870 8.519 -0.649 19667 263 1 . 1 1 49 49 GLU N N 49 126.100 126.100 125.336 0.764 19667 264 1 . 1 1 49 49 GLU HA H 49 4.660 4.660 5.084 -0.424 19667 265 1 . 1 1 49 49 GLU C C 49 176.320 176.320 175.888 0.432 19667 266 1 . 1 1 49 49 GLU CA C 49 56.740 56.740 55.540 1.200 19667 267 1 . 1 1 49 49 GLU CB C 49 30.290 30.290 32.266 -1.976 19667 268 1 . 1 1 49 49 GLU H H 49 8.790 8.790 8.590 0.200 19667 269 1 . 1 1 50 50 THR N N 50 123.540 123.540 120.823 2.716 19667 270 1 . 1 1 50 50 THR HA H 50 4.810 4.810 4.721 0.089 19667 271 1 . 1 1 50 50 THR CA C 50 59.920 59.920 59.262 0.658 19667 272 1 . 1 1 50 50 THR CB C 50 72.350 72.350 69.920 2.430 19667 273 1 . 1 1 50 50 THR H H 50 9.110 9.110 8.110 1.000 19667 274 1 . 1 1 51 51 PRO HA H 51 5.330 5.330 4.366 0.964 19667 275 1 . 1 1 51 51 PRO C C 51 176.800 176.800 175.626 1.174 19667 276 1 . 1 1 51 51 PRO CA C 51 61.730 61.730 62.445 -0.715 19667 277 1 . 1 1 51 51 PRO CB C 51 32.110 32.110 32.392 -0.282 19667 278 1 . 1 1 52 52 VAL N N 52 123.010 123.010 122.042 0.968 19667 279 1 . 1 1 52 52 VAL HA H 52 4.270 4.270 4.382 -0.112 19667 280 1 . 1 1 52 52 VAL C C 52 173.750 173.750 174.148 -0.398 19667 281 1 . 1 1 52 52 VAL CA C 52 61.380 61.380 60.289 1.091 19667 282 1 . 1 1 52 52 VAL CB C 52 35.890 35.890 35.860 0.030 19667 283 1 . 1 1 52 52 VAL H H 52 9.110 9.110 8.848 0.262 19667 284 1 . 1 1 53 53 GLU N N 53 126.730 126.730 126.218 0.512 19667 285 1 . 1 1 53 53 GLU HA H 53 5.200 5.200 4.502 0.698 19667 286 1 . 1 1 53 53 GLU C C 53 174.980 174.980 175.050 -0.070 19667 287 1 . 1 1 53 53 GLU CA C 53 55.500 55.500 55.752 -0.252 19667 288 1 . 1 1 53 53 GLU CB C 53 31.410 31.410 31.227 0.183 19667 289 1 . 1 1 53 53 GLU H H 53 8.570 8.570 8.572 -0.002 19667 290 1 . 1 1 54 54 LEU N N 54 126.200 126.200 125.202 0.998 19667 291 1 . 1 1 54 54 LEU HA H 54 5.010 5.010 4.849 0.161 19667 292 1 . 1 1 54 54 LEU C C 54 175.940 175.940 175.539 0.401 19667 293 1 . 1 1 54 54 LEU CA C 54 53.400 53.400 53.336 0.064 19667 294 1 . 1 1 54 54 LEU CB C 54 47.360 47.360 46.813 0.547 19667 295 1 . 1 1 54 54 LEU H H 54 8.850 8.850 8.963 -0.113 19667 296 1 . 1 1 55 55 THR N N 55 111.050 111.050 111.508 -0.458 19667 297 1 . 1 1 55 55 THR HA H 55 5.210 5.210 4.522 0.688 19667 298 1 . 1 1 55 55 THR C C 55 176.450 176.450 174.779 1.671 19667 299 1 . 1 1 55 55 THR CA C 55 60.760 60.760 59.883 0.877 19667 300 1 . 1 1 55 55 THR CB C 55 70.930 70.930 70.945 -0.015 19667 301 1 . 1 1 55 55 THR H H 55 9.140 9.140 8.398 0.742 19667 302 1 . 1 1 56 56 PHE N N 56 119.120 119.120 122.103 -2.983 19667 303 1 . 1 1 56 56 PHE HA H 56 4.150 4.150 4.039 0.111 19667 304 1 . 1 1 56 56 PHE CA C 56 58.570 58.570 60.497 -1.927 19667 305 1 . 1 1 56 56 PHE CB C 56 37.830 37.830 38.737 -0.907 19667 306 1 . 1 1 56 56 PHE H H 56 8.100 8.100 8.131 -0.031 19667 307 1 . 1 1 57 57 GLY N N 57 103.400 103.400 112.478 -9.078 19667 308 1 . 1 1 57 57 GLY C C 57 174.880 174.880 175.181 -0.301 19667 309 1 . 1 1 57 57 GLY CA C 57 45.800 45.800 45.367 0.434 19667 310 1 . 1 1 57 57 GLY H H 57 8.360 8.360 8.638 -0.278 19667 311 1 . 1 1 58 58 GLN N N 58 117.080 117.080 119.653 -2.573 19667 312 1 . 1 1 58 58 GLN HA H 58 4.390 4.390 4.205 0.185 19667 313 1 . 1 1 58 58 GLN C C 58 174.120 174.120 174.989 -0.869 19667 314 1 . 1 1 58 58 GLN CA C 58 56.370 56.370 56.966 -0.596 19667 315 1 . 1 1 58 58 GLN CB C 58 32.040 32.040 29.322 2.719 19667 316 1 . 1 1 58 58 GLN H H 58 7.790 7.790 8.109 -0.319 19667 317 1 . 1 1 59 59 VAL N N 59 110.280 110.280 110.607 -0.327 19667 318 1 . 1 1 59 59 VAL HA H 59 5.250 5.250 5.185 0.065 19667 319 1 . 1 1 59 59 VAL C C 59 173.600 173.600 174.128 -0.528 19667 320 1 . 1 1 59 59 VAL CA C 59 58.820 58.820 58.853 -0.032 19667 321 1 . 1 1 59 59 VAL CB C 59 35.990 35.990 35.176 0.814 19667 322 1 . 1 1 59 59 VAL H H 59 7.350 7.350 7.198 0.152 19667 323 1 . 1 1 60 60 SER N N 60 112.630 112.630 117.772 -5.142 19667 324 1 . 1 1 60 60 SER HA H 60 4.910 4.910 4.900 0.010 19667 325 1 . 1 1 60 60 SER C C 60 173.830 173.830 174.285 -0.455 19667 326 1 . 1 1 60 60 SER CA C 60 56.860 56.860 56.523 0.337 19667 327 1 . 1 1 60 60 SER CB C 60 66.280 66.280 65.066 1.214 19667 328 1 . 1 1 60 60 SER H H 60 8.510 8.510 8.397 0.113 19667 329 1 . 1 1 61 61 LYS N N 61 124.640 124.640 125.949 -1.309 19667 330 1 . 1 1 61 61 LYS HA H 61 4.610 4.610 4.394 0.216 19667 331 1 . 1 1 61 61 LYS C C 61 176.290 176.290 176.546 -0.256 19667 332 1 . 1 1 61 61 LYS CA C 61 57.470 57.470 56.535 0.935 19667 333 1 . 1 1 61 61 LYS CB C 61 33.560 33.560 33.375 0.185 19667 334 1 . 1 1 61 61 LYS H H 61 8.720 8.720 8.622 0.098 19667 stop_ save_