data_25178 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25178 _Entry.PDB_ID 2MTR 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 25178 _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 6 6 VAL N N 6 126.400 126.400 120.707 5.693 25178 2 1 1 . 1 1 6 6 VAL C C 6 173.900 173.900 177.388 -3.488 25178 3 1 1 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.656 -3.626 25178 4 1 1 . 1 1 7 7 VAL N N 7 126.800 126.800 121.189 5.611 25178 5 1 1 . 1 1 7 7 VAL C C 7 173.400 173.400 178.268 -4.868 25178 6 1 1 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.709 -4.819 25178 7 1 1 . 1 1 8 8 LEU N N 8 130.000 130.000 118.064 11.936 25178 8 1 1 . 1 1 8 8 LEU C C 8 174.900 174.900 179.007 -4.107 25178 9 1 1 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.359 -1.789 25178 10 1 1 . 1 1 9 9 ASN N N 9 128.300 128.300 117.541 10.759 25178 11 1 1 . 1 1 9 9 ASN C C 9 173.600 173.600 177.422 -3.822 25178 12 1 1 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.941 -2.871 25178 13 1 1 . 1 1 10 10 ALA N N 10 129.900 129.900 122.081 7.819 25178 14 1 1 . 1 1 10 10 ALA C C 10 173.700 173.700 178.914 -5.214 25178 15 1 1 . 1 1 10 10 ALA CA C 10 52.830 52.830 55.197 -2.367 25178 16 1 1 . 1 1 11 11 ALA N N 11 122.400 122.400 120.546 1.854 25178 17 1 1 . 1 1 11 11 ALA C C 11 175.000 175.000 179.598 -4.598 25178 18 1 1 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.171 -4.891 25178 19 1 1 . 1 1 12 12 SER N N 12 120.400 120.400 113.938 6.462 25178 20 1 1 . 1 1 12 12 SER C C 12 174.600 174.600 176.680 -2.080 25178 21 1 1 . 1 1 12 12 SER CA C 12 57.780 57.780 61.557 -3.777 25178 22 1 1 . 1 1 13 13 VAL N N 13 126.200 126.200 123.236 2.964 25178 23 1 1 . 1 1 13 13 VAL C C 13 174.800 174.800 178.104 -3.304 25178 24 1 1 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.517 -4.827 25178 25 1 1 . 1 1 14 14 ALA N N 14 125.500 125.500 120.773 4.727 25178 26 1 1 . 1 1 14 14 ALA C C 14 171.900 171.900 179.453 -7.553 25178 27 1 1 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.316 -4.396 25178 28 1 1 . 1 1 15 15 GLY N N 15 107.800 107.800 106.997 0.803 25178 29 1 1 . 1 1 15 15 GLY C C 15 174.900 174.900 175.545 -0.645 25178 30 1 1 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.833 3.317 25178 31 1 1 . 1 1 16 16 ALA N N 16 124.800 124.800 124.450 0.350 25178 32 1 1 . 1 1 16 16 ALA C C 16 176.700 176.700 178.823 -2.123 25178 33 1 1 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.809 -4.299 25178 34 1 1 . 1 1 17 17 HIS N N 17 120.700 120.700 119.016 1.684 25178 35 1 1 . 1 1 17 17 HIS C C 17 174.600 174.600 177.602 -3.002 25178 36 1 1 . 1 1 17 17 HIS CA C 17 57.940 57.940 59.792 -1.852 25178 37 1 1 . 1 1 19 19 ILE N N 19 124.200 124.200 123.439 0.761 25178 38 1 1 . 1 1 19 19 ILE C C 19 174.000 174.000 177.869 -3.869 25178 39 1 1 . 1 1 19 19 ILE CA C 19 60.010 60.010 62.863 -2.853 25178 40 1 1 . 1 1 20 20 LEU N N 20 124.100 124.100 120.959 3.141 25178 41 1 1 . 1 1 20 20 LEU C C 20 175.900 175.900 178.814 -2.914 25178 42 1 1 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.182 -3.132 25178 43 1 1 . 1 1 21 21 SER N N 21 118.800 118.800 115.779 3.021 25178 44 1 1 . 1 1 21 21 SER C C 21 172.500 172.500 176.829 -4.329 25178 45 1 1 . 1 1 21 21 SER CA C 21 56.690 56.690 61.251 -4.561 25178 46 1 1 . 1 1 22 22 PHE N N 22 120.800 120.800 123.715 -2.915 25178 47 1 1 . 1 1 22 22 PHE C C 22 178.000 178.000 177.022 0.978 25178 48 1 1 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.847 -2.967 25178 49 1 1 . 1 1 23 23 LEU N N 23 116.700 116.700 119.360 -2.660 25178 50 1 1 . 1 1 23 23 LEU C C 23 174.100 174.100 178.372 -4.272 25178 51 1 1 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.918 -3.098 25178 52 1 1 . 1 1 24 24 VAL N N 24 129.400 129.400 119.784 9.616 25178 53 1 1 . 1 1 24 24 VAL C C 24 175.900 175.900 177.820 -1.920 25178 54 1 1 . 1 1 24 24 VAL CA C 24 61.960 61.960 67.021 -5.061 25178 55 1 1 . 1 1 25 25 PHE N N 25 120.700 120.700 121.219 -0.519 25178 56 1 1 . 1 1 25 25 PHE C C 25 173.400 173.400 176.989 -3.589 25178 57 1 1 . 1 1 25 25 PHE CA C 25 54.850 54.850 61.973 -7.123 25178 58 1 1 . 1 1 26 26 PHE N N 26 122.600 122.600 119.875 2.725 25178 59 1 1 . 1 1 26 26 PHE C C 26 172.700 172.700 177.410 -4.710 25178 60 1 1 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.263 -3.692 25178 61 1 1 . 1 1 27 27 SER N N 27 119.500 119.500 114.723 4.777 25178 62 1 1 . 1 1 27 27 SER C C 27 172.900 172.900 177.352 -4.452 25178 63 1 1 . 1 1 27 27 SER CA C 27 57.820 57.820 61.525 -3.705 25178 64 1 1 . 1 1 28 28 ALA N N 28 121.900 121.900 123.685 -1.785 25178 65 1 1 . 1 1 28 28 ALA C C 28 177.700 177.700 179.307 -1.607 25178 66 1 1 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.476 -4.566 25178 67 1 1 . 1 1 29 29 ALA N N 29 126.800 126.800 120.994 5.806 25178 68 1 1 . 1 1 29 29 ALA C C 29 174.900 174.900 178.557 -3.657 25178 69 1 1 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.489 -2.319 25178 70 1 1 . 1 1 30 30 TRP N N 30 126.900 126.900 118.202 8.698 25178 71 1 1 . 1 1 30 30 TRP C C 30 174.200 174.200 178.714 -4.514 25178 72 1 1 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.668 -4.458 25178 73 1 1 . 1 1 31 31 TYR N N 31 122.100 122.100 118.001 4.099 25178 74 1 1 . 1 1 31 31 TYR C C 31 176.900 176.900 178.206 -1.306 25178 75 1 1 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.643 -7.853 25178 76 1 1 . 1 1 32 32 ILE N N 32 125.700 125.700 118.716 6.984 25178 77 1 1 . 1 1 32 32 ILE C C 32 175.000 175.000 177.774 -2.774 25178 78 1 1 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.065 -3.325 25178 79 1 1 . 1 1 33 33 LYS N N 33 123.300 123.300 119.003 4.297 25178 80 1 1 . 1 1 33 33 LYS C C 33 173.900 173.900 177.851 -3.951 25178 81 1 1 . 1 1 33 33 LYS CA C 33 57.940 57.940 58.027 -0.087 25178 82 1 1 . 1 1 35 35 ARG N N 35 131.800 131.800 120.097 11.703 25178 83 1 1 . 1 1 35 35 ARG C C 35 173.500 173.500 174.433 -0.933 25178 84 1 1 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.274 2.676 25178 85 1 1 . 1 1 36 36 LEU N N 36 125.700 125.700 124.763 0.937 25178 86 1 1 . 1 1 36 36 LEU C C 36 175.400 175.400 176.415 -1.015 25178 87 1 1 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.103 2.107 25178 88 1 1 . 1 1 37 37 ALA N N 37 123.600 123.600 128.166 -4.566 25178 89 1 1 . 1 1 37 37 ALA C C 37 174.300 174.300 176.431 -2.131 25178 90 1 1 . 1 1 37 37 ALA CA C 37 56.250 56.250 49.510 6.740 25178 91 1 1 . 1 1 38 38 PRO C C 38 174.700 174.700 178.623 -3.923 25178 92 1 1 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.259 -4.609 25178 93 1 1 . 1 1 39 39 GLY N N 39 106.200 106.200 107.410 -1.210 25178 94 1 1 . 1 1 39 39 GLY C C 39 173.500 173.500 176.101 -2.601 25178 95 1 1 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.865 3.285 25178 96 1 1 . 1 1 41 41 ALA N N 41 127.600 127.600 121.869 5.731 25178 97 1 1 . 1 1 41 41 ALA C C 41 174.800 174.800 179.821 -5.021 25178 98 1 1 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.864 -4.164 25178 99 1 1 . 1 1 42 42 TYR N N 42 122.400 122.400 118.516 3.884 25178 100 1 1 . 1 1 42 42 TYR C C 42 175.300 175.300 177.997 -2.697 25178 101 1 1 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.755 -5.895 25178 102 1 1 . 1 1 43 43 ALA N N 43 129.400 129.400 123.552 5.848 25178 103 1 1 . 1 1 43 43 ALA C C 43 175.000 175.000 179.584 -4.584 25178 104 1 1 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.241 -5.151 25178 105 1 1 . 1 1 44 44 PHE N N 44 123.400 123.400 116.861 6.539 25178 106 1 1 . 1 1 44 44 PHE C C 44 172.600 172.600 177.746 -5.146 25178 107 1 1 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.880 -8.780 25178 108 1 1 . 1 1 45 45 TYR N N 45 119.800 119.800 120.571 -0.771 25178 109 1 1 . 1 1 45 45 TYR C C 45 176.100 176.100 177.714 -1.614 25178 110 1 1 . 1 1 45 45 TYR CA C 45 54.110 54.110 60.729 -6.619 25178 111 1 1 . 1 1 47 47 VAL N N 47 130.500 130.500 119.452 11.048 25178 112 1 1 . 1 1 47 47 VAL C C 47 171.200 171.200 176.352 -5.152 25178 113 1 1 . 1 1 47 47 VAL CA C 47 62.030 62.030 62.425 -0.395 25178 114 1 1 . 1 1 48 48 TRP N N 48 125.200 125.200 122.401 2.799 25178 115 1 1 . 1 1 49 49 PRO C C 49 173.600 173.600 178.268 -4.668 25178 116 1 1 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.856 -5.166 25178 117 1 1 . 1 1 50 50 LEU N N 50 126.800 126.800 116.974 9.826 25178 118 1 1 . 1 1 50 50 LEU C C 50 174.100 174.100 178.814 -4.714 25178 119 1 1 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.862 -4.782 25178 120 1 1 . 1 1 51 51 LEU N N 51 126.500 126.500 118.866 7.634 25178 121 1 1 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.430 -3.720 25178 122 1 1 . 1 1 52 52 LEU N N 52 126.900 126.900 119.905 6.995 25178 123 1 1 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.191 -3.951 25178 124 1 1 . 1 1 53 53 LEU N N 53 125.500 125.500 117.695 7.805 25178 125 1 1 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.777 -3.887 25178 126 1 1 . 1 1 54 54 LEU N N 54 126.200 126.200 120.712 5.488 25178 127 1 1 . 1 1 54 54 LEU CA C 54 54.060 54.060 58.017 -3.957 25178 128 1 1 . 1 1 55 55 LEU N N 55 126.200 126.200 117.504 8.696 25178 129 1 1 . 1 1 55 55 LEU CA C 55 53.750 53.750 57.070 -3.320 25178 130 1 1 . 1 1 57 57 LEU N N 57 125.800 125.800 119.036 6.764 25178 131 1 1 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.112 -0.332 25178 132 1 2 . 1 1 6 6 VAL N N 6 126.400 126.400 118.115 8.285 25178 133 1 2 . 1 1 6 6 VAL C C 6 173.900 173.900 177.549 -3.649 25178 134 1 2 . 1 1 6 6 VAL CA C 6 61.030 61.030 65.128 -4.098 25178 135 1 2 . 1 1 7 7 VAL N N 7 126.800 126.800 120.290 6.510 25178 136 1 2 . 1 1 7 7 VAL C C 7 173.400 173.400 177.579 -4.179 25178 137 1 2 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.391 -4.501 25178 138 1 2 . 1 1 8 8 LEU N N 8 130.000 130.000 118.612 11.388 25178 139 1 2 . 1 1 8 8 LEU C C 8 174.900 174.900 178.219 -3.319 25178 140 1 2 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.307 -1.737 25178 141 1 2 . 1 1 9 9 ASN N N 9 128.300 128.300 116.583 11.717 25178 142 1 2 . 1 1 9 9 ASN C C 9 173.600 173.600 176.771 -3.171 25178 143 1 2 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.656 -2.586 25178 144 1 2 . 1 1 10 10 ALA N N 10 129.900 129.900 121.469 8.431 25178 145 1 2 . 1 1 10 10 ALA C C 10 173.700 173.700 179.223 -5.523 25178 146 1 2 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.858 -2.028 25178 147 1 2 . 1 1 11 11 ALA N N 11 122.400 122.400 120.494 1.906 25178 148 1 2 . 1 1 11 11 ALA C C 11 175.000 175.000 179.613 -4.613 25178 149 1 2 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.224 -4.944 25178 150 1 2 . 1 1 12 12 SER N N 12 120.400 120.400 114.880 5.520 25178 151 1 2 . 1 1 12 12 SER C C 12 174.600 174.600 176.661 -2.061 25178 152 1 2 . 1 1 12 12 SER CA C 12 57.780 57.780 62.252 -4.472 25178 153 1 2 . 1 1 13 13 VAL N N 13 126.200 126.200 120.820 5.380 25178 154 1 2 . 1 1 13 13 VAL C C 13 174.800 174.800 177.811 -3.011 25178 155 1 2 . 1 1 13 13 VAL CA C 13 60.690 60.690 66.052 -5.362 25178 156 1 2 . 1 1 14 14 ALA N N 14 125.500 125.500 120.762 4.738 25178 157 1 2 . 1 1 14 14 ALA C C 14 171.900 171.900 179.468 -7.568 25178 158 1 2 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.340 -4.420 25178 159 1 2 . 1 1 15 15 GLY N N 15 107.800 107.800 107.067 0.733 25178 160 1 2 . 1 1 15 15 GLY C C 15 174.900 174.900 175.544 -0.644 25178 161 1 2 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.834 3.317 25178 162 1 2 . 1 1 16 16 ALA N N 16 124.800 124.800 124.443 0.357 25178 163 1 2 . 1 1 16 16 ALA C C 16 176.700 176.700 178.813 -2.113 25178 164 1 2 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.825 -4.315 25178 165 1 2 . 1 1 17 17 HIS N N 17 120.700 120.700 118.999 1.701 25178 166 1 2 . 1 1 17 17 HIS C C 17 174.600 174.600 177.598 -2.998 25178 167 1 2 . 1 1 17 17 HIS CA C 17 57.940 57.940 59.798 -1.859 25178 168 1 2 . 1 1 19 19 ILE N N 19 124.200 124.200 122.349 1.851 25178 169 1 2 . 1 1 19 19 ILE C C 19 174.000 174.000 177.628 -3.628 25178 170 1 2 . 1 1 19 19 ILE CA C 19 60.010 60.010 64.543 -4.533 25178 171 1 2 . 1 1 20 20 LEU N N 20 124.100 124.100 120.577 3.523 25178 172 1 2 . 1 1 20 20 LEU C C 20 175.900 175.900 178.444 -2.544 25178 173 1 2 . 1 1 20 20 LEU CA C 20 55.050 55.050 57.872 -2.822 25178 174 1 2 . 1 1 21 21 SER N N 21 118.800 118.800 115.602 3.198 25178 175 1 2 . 1 1 21 21 SER C C 21 172.500 172.500 176.373 -3.873 25178 176 1 2 . 1 1 21 21 SER CA C 21 56.690 56.690 60.931 -4.241 25178 177 1 2 . 1 1 22 22 PHE N N 22 120.800 120.800 123.311 -2.511 25178 178 1 2 . 1 1 22 22 PHE C C 22 178.000 178.000 177.043 0.957 25178 179 1 2 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.757 -2.877 25178 180 1 2 . 1 1 23 23 LEU N N 23 116.700 116.700 119.727 -3.027 25178 181 1 2 . 1 1 23 23 LEU C C 23 174.100 174.100 178.253 -4.153 25178 182 1 2 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.875 -3.055 25178 183 1 2 . 1 1 24 24 VAL N N 24 129.400 129.400 120.042 9.358 25178 184 1 2 . 1 1 24 24 VAL C C 24 175.900 175.900 178.356 -2.456 25178 185 1 2 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.796 -4.836 25178 186 1 2 . 1 1 25 25 PHE N N 25 120.700 120.700 121.083 -0.383 25178 187 1 2 . 1 1 25 25 PHE C C 25 173.400 173.400 176.986 -3.586 25178 188 1 2 . 1 1 25 25 PHE CA C 25 54.850 54.850 61.825 -6.975 25178 189 1 2 . 1 1 26 26 PHE N N 26 122.600 122.600 120.161 2.439 25178 190 1 2 . 1 1 26 26 PHE C C 26 172.700 172.700 177.177 -4.477 25178 191 1 2 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.337 -3.767 25178 192 1 2 . 1 1 27 27 SER N N 27 119.500 119.500 114.805 4.695 25178 193 1 2 . 1 1 27 27 SER C C 27 172.900 172.900 176.904 -4.004 25178 194 1 2 . 1 1 27 27 SER CA C 27 57.820 57.820 61.593 -3.773 25178 195 1 2 . 1 1 28 28 ALA N N 28 121.900 121.900 123.909 -2.009 25178 196 1 2 . 1 1 28 28 ALA C C 28 177.700 177.700 178.890 -1.190 25178 197 1 2 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.290 -4.380 25178 198 1 2 . 1 1 29 29 ALA N N 29 126.800 126.800 121.934 4.866 25178 199 1 2 . 1 1 29 29 ALA C C 29 174.900 174.900 179.054 -4.154 25178 200 1 2 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.745 -2.575 25178 201 1 2 . 1 1 30 30 TRP N N 30 126.900 126.900 117.794 9.106 25178 202 1 2 . 1 1 30 30 TRP C C 30 174.200 174.200 178.192 -3.992 25178 203 1 2 . 1 1 30 30 TRP CA C 30 56.210 56.210 61.007 -4.797 25178 204 1 2 . 1 1 31 31 TYR N N 31 122.100 122.100 120.008 2.092 25178 205 1 2 . 1 1 31 31 TYR C C 31 176.900 176.900 177.003 -0.103 25178 206 1 2 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.242 -7.452 25178 207 1 2 . 1 1 32 32 ILE N N 32 125.700 125.700 117.742 7.958 25178 208 1 2 . 1 1 32 32 ILE C C 32 175.000 175.000 178.059 -3.059 25178 209 1 2 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.157 -3.417 25178 210 1 2 . 1 1 33 33 LYS N N 33 123.300 123.300 119.549 3.751 25178 211 1 2 . 1 1 33 33 LYS C C 33 173.900 173.900 177.624 -3.724 25178 212 1 2 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.952 -0.012 25178 213 1 2 . 1 1 35 35 ARG N N 35 131.800 131.800 123.090 8.710 25178 214 1 2 . 1 1 35 35 ARG C C 35 173.500 173.500 174.692 -1.192 25178 215 1 2 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.617 2.333 25178 216 1 2 . 1 1 36 36 LEU N N 36 125.700 125.700 126.280 -0.580 25178 217 1 2 . 1 1 36 36 LEU C C 36 175.400 175.400 175.920 -0.520 25178 218 1 2 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.757 1.453 25178 219 1 2 . 1 1 37 37 ALA N N 37 123.600 123.600 130.545 -6.945 25178 220 1 2 . 1 1 37 37 ALA C C 37 174.300 174.300 175.830 -1.530 25178 221 1 2 . 1 1 37 37 ALA CA C 37 56.250 56.250 51.078 5.172 25178 222 1 2 . 1 1 38 38 PRO C C 38 174.700 174.700 178.488 -3.788 25178 223 1 2 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.031 -4.381 25178 224 1 2 . 1 1 39 39 GLY N N 39 106.200 106.200 107.516 -1.316 25178 225 1 2 . 1 1 39 39 GLY C C 39 173.500 173.500 175.897 -2.397 25178 226 1 2 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.801 3.349 25178 227 1 2 . 1 1 41 41 ALA N N 41 127.600 127.600 121.798 5.802 25178 228 1 2 . 1 1 41 41 ALA C C 41 174.800 174.800 179.805 -5.005 25178 229 1 2 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.774 -4.074 25178 230 1 2 . 1 1 42 42 TYR N N 42 122.400 122.400 118.365 4.035 25178 231 1 2 . 1 1 42 42 TYR C C 42 175.300 175.300 177.931 -2.631 25178 232 1 2 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.637 -5.777 25178 233 1 2 . 1 1 43 43 ALA N N 43 129.400 129.400 123.461 5.939 25178 234 1 2 . 1 1 43 43 ALA C C 43 175.000 175.000 179.564 -4.564 25178 235 1 2 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.164 -5.074 25178 236 1 2 . 1 1 44 44 PHE N N 44 123.400 123.400 116.607 6.793 25178 237 1 2 . 1 1 44 44 PHE C C 44 172.600 172.600 177.511 -4.911 25178 238 1 2 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.851 -8.751 25178 239 1 2 . 1 1 45 45 TYR N N 45 119.800 119.800 120.918 -1.118 25178 240 1 2 . 1 1 45 45 TYR C C 45 176.100 176.100 177.708 -1.608 25178 241 1 2 . 1 1 45 45 TYR CA C 45 54.110 54.110 60.888 -6.778 25178 242 1 2 . 1 1 47 47 VAL N N 47 130.500 130.500 118.815 11.685 25178 243 1 2 . 1 1 47 47 VAL C C 47 171.200 171.200 176.807 -5.607 25178 244 1 2 . 1 1 47 47 VAL CA C 47 62.030 62.030 63.499 -1.469 25178 245 1 2 . 1 1 48 48 TRP N N 48 125.200 125.200 122.640 2.560 25178 246 1 2 . 1 1 49 49 PRO C C 49 173.600 173.600 178.009 -4.409 25178 247 1 2 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.659 -4.968 25178 248 1 2 . 1 1 50 50 LEU N N 50 126.800 126.800 118.535 8.265 25178 249 1 2 . 1 1 50 50 LEU C C 50 174.100 174.100 178.345 -4.245 25178 250 1 2 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.822 -4.742 25178 251 1 2 . 1 1 51 51 LEU N N 51 126.500 126.500 119.343 7.157 25178 252 1 2 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.484 -3.774 25178 253 1 2 . 1 1 52 52 LEU N N 52 126.900 126.900 120.170 6.730 25178 254 1 2 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.059 -3.819 25178 255 1 2 . 1 1 53 53 LEU N N 53 125.500 125.500 118.643 6.857 25178 256 1 2 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.831 -3.941 25178 257 1 2 . 1 1 54 54 LEU N N 54 126.200 126.200 120.574 5.626 25178 258 1 2 . 1 1 54 54 LEU CA C 54 54.060 54.060 58.340 -4.279 25178 259 1 2 . 1 1 55 55 LEU N N 55 126.200 126.200 117.469 8.731 25178 260 1 2 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.952 -3.202 25178 261 1 2 . 1 1 57 57 LEU N N 57 125.800 125.800 119.269 6.531 25178 262 1 2 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.376 -0.596 25178 263 1 3 . 1 1 6 6 VAL N N 6 126.400 126.400 121.548 4.852 25178 264 1 3 . 1 1 6 6 VAL C C 6 173.900 173.900 177.676 -3.776 25178 265 1 3 . 1 1 6 6 VAL CA C 6 61.030 61.030 65.139 -4.109 25178 266 1 3 . 1 1 7 7 VAL N N 7 126.800 126.800 117.561 9.239 25178 267 1 3 . 1 1 7 7 VAL C C 7 173.400 173.400 177.013 -3.613 25178 268 1 3 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.454 -4.564 25178 269 1 3 . 1 1 8 8 LEU N N 8 130.000 130.000 118.509 11.491 25178 270 1 3 . 1 1 8 8 LEU C C 8 174.900 174.900 178.808 -3.908 25178 271 1 3 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.276 -1.706 25178 272 1 3 . 1 1 9 9 ASN N N 9 128.300 128.300 116.818 11.482 25178 273 1 3 . 1 1 9 9 ASN C C 9 173.600 173.600 176.802 -3.202 25178 274 1 3 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.193 -2.123 25178 275 1 3 . 1 1 10 10 ALA N N 10 129.900 129.900 122.096 7.804 25178 276 1 3 . 1 1 10 10 ALA C C 10 173.700 173.700 179.130 -5.430 25178 277 1 3 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.873 -2.043 25178 278 1 3 . 1 1 11 11 ALA N N 11 122.400 122.400 120.843 1.557 25178 279 1 3 . 1 1 11 11 ALA C C 11 175.000 175.000 179.893 -4.893 25178 280 1 3 . 1 1 11 11 ALA CA C 11 50.280 50.280 54.874 -4.594 25178 281 1 3 . 1 1 12 12 SER N N 12 120.400 120.400 114.848 5.552 25178 282 1 3 . 1 1 12 12 SER C C 12 174.600 174.600 176.498 -1.898 25178 283 1 3 . 1 1 12 12 SER CA C 12 57.780 57.780 62.083 -4.303 25178 284 1 3 . 1 1 13 13 VAL N N 13 126.200 126.200 121.541 4.659 25178 285 1 3 . 1 1 13 13 VAL C C 13 174.800 174.800 177.539 -2.739 25178 286 1 3 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.737 -5.047 25178 287 1 3 . 1 1 14 14 ALA N N 14 125.500 125.500 120.627 4.873 25178 288 1 3 . 1 1 14 14 ALA C C 14 171.900 171.900 179.389 -7.489 25178 289 1 3 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.277 -4.357 25178 290 1 3 . 1 1 15 15 GLY N N 15 107.800 107.800 107.103 0.697 25178 291 1 3 . 1 1 15 15 GLY C C 15 174.900 174.900 175.533 -0.633 25178 292 1 3 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.830 3.321 25178 293 1 3 . 1 1 16 16 ALA N N 16 124.800 124.800 124.397 0.403 25178 294 1 3 . 1 1 16 16 ALA C C 16 176.700 176.700 178.820 -2.120 25178 295 1 3 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.820 -4.310 25178 296 1 3 . 1 1 17 17 HIS N N 17 120.700 120.700 118.976 1.724 25178 297 1 3 . 1 1 17 17 HIS C C 17 174.600 174.600 177.584 -2.984 25178 298 1 3 . 1 1 17 17 HIS CA C 17 57.940 57.940 59.766 -1.826 25178 299 1 3 . 1 1 19 19 ILE N N 19 124.200 124.200 122.408 1.792 25178 300 1 3 . 1 1 19 19 ILE C C 19 174.000 174.000 178.136 -4.136 25178 301 1 3 . 1 1 19 19 ILE CA C 19 60.010 60.010 62.681 -2.671 25178 302 1 3 . 1 1 20 20 LEU N N 20 124.100 124.100 121.649 2.451 25178 303 1 3 . 1 1 20 20 LEU C C 20 175.900 175.900 178.820 -2.920 25178 304 1 3 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.260 -3.210 25178 305 1 3 . 1 1 21 21 SER N N 21 118.800 118.800 115.940 2.860 25178 306 1 3 . 1 1 21 21 SER C C 21 172.500 172.500 176.886 -4.386 25178 307 1 3 . 1 1 21 21 SER CA C 21 56.690 56.690 62.533 -5.843 25178 308 1 3 . 1 1 22 22 PHE N N 22 120.800 120.800 122.990 -2.190 25178 309 1 3 . 1 1 22 22 PHE C C 22 178.000 178.000 177.389 0.611 25178 310 1 3 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.403 -2.523 25178 311 1 3 . 1 1 23 23 LEU N N 23 116.700 116.700 120.914 -4.214 25178 312 1 3 . 1 1 23 23 LEU C C 23 174.100 174.100 178.722 -4.622 25178 313 1 3 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.890 -3.070 25178 314 1 3 . 1 1 24 24 VAL N N 24 129.400 129.400 119.726 9.674 25178 315 1 3 . 1 1 24 24 VAL C C 24 175.900 175.900 178.166 -2.266 25178 316 1 3 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.921 -4.960 25178 317 1 3 . 1 1 25 25 PHE N N 25 120.700 120.700 121.427 -0.727 25178 318 1 3 . 1 1 25 25 PHE C C 25 173.400 173.400 177.004 -3.604 25178 319 1 3 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.094 -7.244 25178 320 1 3 . 1 1 26 26 PHE N N 26 122.600 122.600 119.347 3.253 25178 321 1 3 . 1 1 26 26 PHE C C 26 172.700 172.700 177.083 -4.383 25178 322 1 3 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.753 -4.183 25178 323 1 3 . 1 1 27 27 SER N N 27 119.500 119.500 115.147 4.353 25178 324 1 3 . 1 1 27 27 SER C C 27 172.900 172.900 176.672 -3.772 25178 325 1 3 . 1 1 27 27 SER CA C 27 57.820 57.820 61.646 -3.826 25178 326 1 3 . 1 1 28 28 ALA N N 28 121.900 121.900 123.130 -1.230 25178 327 1 3 . 1 1 28 28 ALA C C 28 177.700 177.700 178.856 -1.156 25178 328 1 3 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.304 -4.394 25178 329 1 3 . 1 1 29 29 ALA N N 29 126.800 126.800 121.931 4.869 25178 330 1 3 . 1 1 29 29 ALA C C 29 174.900 174.900 179.014 -4.114 25178 331 1 3 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.694 -2.524 25178 332 1 3 . 1 1 30 30 TRP N N 30 126.900 126.900 117.753 9.147 25178 333 1 3 . 1 1 30 30 TRP C C 30 174.200 174.200 178.164 -3.964 25178 334 1 3 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.929 -4.719 25178 335 1 3 . 1 1 31 31 TYR N N 31 122.100 122.100 120.029 2.071 25178 336 1 3 . 1 1 31 31 TYR C C 31 176.900 176.900 177.011 -0.111 25178 337 1 3 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.239 -7.449 25178 338 1 3 . 1 1 32 32 ILE N N 32 125.700 125.700 117.690 8.010 25178 339 1 3 . 1 1 32 32 ILE C C 32 175.000 175.000 178.053 -3.053 25178 340 1 3 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.128 -3.388 25178 341 1 3 . 1 1 33 33 LYS N N 33 123.300 123.300 119.790 3.510 25178 342 1 3 . 1 1 33 33 LYS C C 33 173.900 173.900 177.438 -3.538 25178 343 1 3 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.793 0.147 25178 344 1 3 . 1 1 35 35 ARG N N 35 131.800 131.800 122.608 9.192 25178 345 1 3 . 1 1 35 35 ARG C C 35 173.500 173.500 174.763 -1.263 25178 346 1 3 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.576 2.374 25178 347 1 3 . 1 1 36 36 LEU N N 36 125.700 125.700 125.582 0.118 25178 348 1 3 . 1 1 36 36 LEU C C 36 175.400 175.400 176.372 -0.972 25178 349 1 3 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.786 1.424 25178 350 1 3 . 1 1 37 37 ALA N N 37 123.600 123.600 129.866 -6.266 25178 351 1 3 . 1 1 37 37 ALA C C 37 174.300 174.300 175.980 -1.680 25178 352 1 3 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.936 5.314 25178 353 1 3 . 1 1 38 38 PRO C C 38 174.700 174.700 178.419 -3.719 25178 354 1 3 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.012 -4.362 25178 355 1 3 . 1 1 39 39 GLY N N 39 106.200 106.200 107.658 -1.458 25178 356 1 3 . 1 1 39 39 GLY C C 39 173.500 173.500 175.884 -2.384 25178 357 1 3 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.889 3.261 25178 358 1 3 . 1 1 41 41 ALA N N 41 127.600 127.600 122.315 5.285 25178 359 1 3 . 1 1 41 41 ALA C C 41 174.800 174.800 179.315 -4.515 25178 360 1 3 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.854 -4.154 25178 361 1 3 . 1 1 42 42 TYR N N 42 122.400 122.400 120.697 1.703 25178 362 1 3 . 1 1 42 42 TYR C C 42 175.300 175.300 177.549 -2.249 25178 363 1 3 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.652 -5.792 25178 364 1 3 . 1 1 43 43 ALA N N 43 129.400 129.400 122.049 7.351 25178 365 1 3 . 1 1 43 43 ALA C C 43 175.000 175.000 179.485 -4.485 25178 366 1 3 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.074 -4.984 25178 367 1 3 . 1 1 44 44 PHE N N 44 123.400 123.400 119.478 3.922 25178 368 1 3 . 1 1 44 44 PHE C C 44 172.600 172.600 177.057 -4.457 25178 369 1 3 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.540 -8.440 25178 370 1 3 . 1 1 45 45 TYR N N 45 119.800 119.800 119.780 0.020 25178 371 1 3 . 1 1 45 45 TYR C C 45 176.100 176.100 178.002 -1.902 25178 372 1 3 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.136 -7.026 25178 373 1 3 . 1 1 47 47 VAL N N 47 130.500 130.500 120.478 10.022 25178 374 1 3 . 1 1 47 47 VAL C C 47 171.200 171.200 176.609 -5.409 25178 375 1 3 . 1 1 47 47 VAL CA C 47 62.030 62.030 63.954 -1.924 25178 376 1 3 . 1 1 48 48 TRP N N 48 125.200 125.200 120.539 4.661 25178 377 1 3 . 1 1 49 49 PRO C C 49 173.600 173.600 178.144 -4.544 25178 378 1 3 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.364 -4.674 25178 379 1 3 . 1 1 50 50 LEU N N 50 126.800 126.800 119.838 6.962 25178 380 1 3 . 1 1 50 50 LEU C C 50 174.100 174.100 178.917 -4.817 25178 381 1 3 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.264 -4.184 25178 382 1 3 . 1 1 51 51 LEU N N 51 126.500 126.500 120.397 6.103 25178 383 1 3 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.786 -4.076 25178 384 1 3 . 1 1 52 52 LEU N N 52 126.900 126.900 120.389 6.511 25178 385 1 3 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.195 -3.955 25178 386 1 3 . 1 1 53 53 LEU N N 53 125.500 125.500 118.933 6.567 25178 387 1 3 . 1 1 53 53 LEU CA C 53 53.890 53.890 58.209 -4.319 25178 388 1 3 . 1 1 54 54 LEU N N 54 126.200 126.200 120.846 5.354 25178 389 1 3 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.944 -3.884 25178 390 1 3 . 1 1 55 55 LEU N N 55 126.200 126.200 120.417 5.783 25178 391 1 3 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.674 -2.924 25178 392 1 3 . 1 1 57 57 LEU N N 57 125.800 125.800 120.094 5.706 25178 393 1 3 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.109 -0.329 25178 394 1 4 . 1 1 6 6 VAL N N 6 126.400 126.400 120.588 5.812 25178 395 1 4 . 1 1 6 6 VAL C C 6 173.900 173.900 177.097 -3.197 25178 396 1 4 . 1 1 6 6 VAL CA C 6 61.030 61.030 65.202 -4.172 25178 397 1 4 . 1 1 7 7 VAL N N 7 126.800 126.800 117.251 9.549 25178 398 1 4 . 1 1 7 7 VAL C C 7 173.400 173.400 177.628 -4.228 25178 399 1 4 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.876 -4.986 25178 400 1 4 . 1 1 8 8 LEU N N 8 130.000 130.000 119.158 10.842 25178 401 1 4 . 1 1 8 8 LEU C C 8 174.900 174.900 179.006 -4.106 25178 402 1 4 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.211 -1.641 25178 403 1 4 . 1 1 9 9 ASN N N 9 128.300 128.300 117.467 10.833 25178 404 1 4 . 1 1 9 9 ASN C C 9 173.600 173.600 176.757 -3.157 25178 405 1 4 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.432 -2.362 25178 406 1 4 . 1 1 10 10 ALA N N 10 129.900 129.900 122.175 7.725 25178 407 1 4 . 1 1 10 10 ALA C C 10 173.700 173.700 179.149 -5.449 25178 408 1 4 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.894 -2.064 25178 409 1 4 . 1 1 11 11 ALA N N 11 122.400 122.400 120.753 1.647 25178 410 1 4 . 1 1 11 11 ALA C C 11 175.000 175.000 179.647 -4.647 25178 411 1 4 . 1 1 11 11 ALA CA C 11 50.280 50.280 54.918 -4.638 25178 412 1 4 . 1 1 12 12 SER N N 12 120.400 120.400 114.415 5.985 25178 413 1 4 . 1 1 12 12 SER C C 12 174.600 174.600 176.841 -2.241 25178 414 1 4 . 1 1 12 12 SER CA C 12 57.780 57.780 61.677 -3.897 25178 415 1 4 . 1 1 13 13 VAL N N 13 126.200 126.200 121.363 4.837 25178 416 1 4 . 1 1 13 13 VAL C C 13 174.800 174.800 178.419 -3.619 25178 417 1 4 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.862 -5.172 25178 418 1 4 . 1 1 14 14 ALA N N 14 125.500 125.500 121.235 4.265 25178 419 1 4 . 1 1 14 14 ALA C C 14 171.900 171.900 179.659 -7.759 25178 420 1 4 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.481 -4.561 25178 421 1 4 . 1 1 15 15 GLY N N 15 107.800 107.800 105.941 1.859 25178 422 1 4 . 1 1 15 15 GLY C C 15 174.900 174.900 175.537 -0.637 25178 423 1 4 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.697 3.453 25178 424 1 4 . 1 1 16 16 ALA N N 16 124.800 124.800 123.721 1.079 25178 425 1 4 . 1 1 16 16 ALA C C 16 176.700 176.700 178.574 -1.874 25178 426 1 4 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.469 -3.959 25178 427 1 4 . 1 1 17 17 HIS N N 17 120.700 120.700 118.527 2.173 25178 428 1 4 . 1 1 17 17 HIS C C 17 174.600 174.600 177.403 -2.803 25178 429 1 4 . 1 1 17 17 HIS CA C 17 57.940 57.940 60.441 -2.501 25178 430 1 4 . 1 1 19 19 ILE N N 19 124.200 124.200 122.916 1.284 25178 431 1 4 . 1 1 19 19 ILE C C 19 174.000 174.000 177.921 -3.921 25178 432 1 4 . 1 1 19 19 ILE CA C 19 60.010 60.010 64.814 -4.804 25178 433 1 4 . 1 1 20 20 LEU N N 20 124.100 124.100 119.966 4.134 25178 434 1 4 . 1 1 20 20 LEU C C 20 175.900 175.900 179.015 -3.115 25178 435 1 4 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.223 -3.173 25178 436 1 4 . 1 1 21 21 SER N N 21 118.800 118.800 115.681 3.119 25178 437 1 4 . 1 1 21 21 SER C C 21 172.500 172.500 176.423 -3.923 25178 438 1 4 . 1 1 21 21 SER CA C 21 56.690 56.690 61.881 -5.191 25178 439 1 4 . 1 1 22 22 PHE N N 22 120.800 120.800 122.398 -1.598 25178 440 1 4 . 1 1 22 22 PHE C C 22 178.000 178.000 177.191 0.809 25178 441 1 4 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.363 -2.483 25178 442 1 4 . 1 1 23 23 LEU N N 23 116.700 116.700 120.787 -4.087 25178 443 1 4 . 1 1 23 23 LEU C C 23 174.100 174.100 178.561 -4.461 25178 444 1 4 . 1 1 23 23 LEU CA C 23 54.820 54.820 58.384 -3.564 25178 445 1 4 . 1 1 24 24 VAL N N 24 129.400 129.400 119.273 10.127 25178 446 1 4 . 1 1 24 24 VAL C C 24 175.900 175.900 177.866 -1.966 25178 447 1 4 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.738 -4.778 25178 448 1 4 . 1 1 25 25 PHE N N 25 120.700 120.700 121.786 -1.086 25178 449 1 4 . 1 1 25 25 PHE C C 25 173.400 173.400 176.986 -3.586 25178 450 1 4 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.114 -7.264 25178 451 1 4 . 1 1 26 26 PHE N N 26 122.600 122.600 119.125 3.475 25178 452 1 4 . 1 1 26 26 PHE C C 26 172.700 172.700 177.111 -4.411 25178 453 1 4 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.571 -4.001 25178 454 1 4 . 1 1 27 27 SER N N 27 119.500 119.500 114.566 4.934 25178 455 1 4 . 1 1 27 27 SER C C 27 172.900 172.900 176.753 -3.853 25178 456 1 4 . 1 1 27 27 SER CA C 27 57.820 57.820 61.515 -3.695 25178 457 1 4 . 1 1 28 28 ALA N N 28 121.900 121.900 122.886 -0.986 25178 458 1 4 . 1 1 28 28 ALA C C 28 177.700 177.700 178.943 -1.243 25178 459 1 4 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.299 -4.389 25178 460 1 4 . 1 1 29 29 ALA N N 29 126.800 126.800 121.886 4.914 25178 461 1 4 . 1 1 29 29 ALA C C 29 174.900 174.900 178.996 -4.096 25178 462 1 4 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.654 -2.484 25178 463 1 4 . 1 1 30 30 TRP N N 30 126.900 126.900 117.224 9.676 25178 464 1 4 . 1 1 30 30 TRP C C 30 174.200 174.200 178.302 -4.102 25178 465 1 4 . 1 1 30 30 TRP CA C 30 56.210 56.210 61.029 -4.819 25178 466 1 4 . 1 1 31 31 TYR N N 31 122.100 122.100 120.201 1.899 25178 467 1 4 . 1 1 31 31 TYR C C 31 176.900 176.900 176.838 0.062 25178 468 1 4 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.203 -7.413 25178 469 1 4 . 1 1 32 32 ILE N N 32 125.700 125.700 117.393 8.307 25178 470 1 4 . 1 1 32 32 ILE C C 32 175.000 175.000 178.419 -3.419 25178 471 1 4 . 1 1 32 32 ILE CA C 32 60.740 60.740 63.259 -2.519 25178 472 1 4 . 1 1 33 33 LYS N N 33 123.300 123.300 118.131 5.169 25178 473 1 4 . 1 1 33 33 LYS C C 33 173.900 173.900 177.860 -3.960 25178 474 1 4 . 1 1 33 33 LYS CA C 33 57.940 57.940 56.902 1.038 25178 475 1 4 . 1 1 35 35 ARG N N 35 131.800 131.800 119.852 11.948 25178 476 1 4 . 1 1 35 35 ARG C C 35 173.500 173.500 174.834 -1.334 25178 477 1 4 . 1 1 35 35 ARG CA C 35 57.950 57.950 54.531 3.419 25178 478 1 4 . 1 1 36 36 LEU N N 36 125.700 125.700 125.195 0.505 25178 479 1 4 . 1 1 36 36 LEU C C 36 175.400 175.400 176.223 -0.823 25178 480 1 4 . 1 1 36 36 LEU CA C 36 56.210 56.210 55.102 1.108 25178 481 1 4 . 1 1 37 37 ALA N N 37 123.600 123.600 129.994 -6.394 25178 482 1 4 . 1 1 37 37 ALA C C 37 174.300 174.300 176.127 -1.827 25178 483 1 4 . 1 1 37 37 ALA CA C 37 56.250 56.250 51.153 5.097 25178 484 1 4 . 1 1 38 38 PRO C C 38 174.700 174.700 178.587 -3.887 25178 485 1 4 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.095 -4.445 25178 486 1 4 . 1 1 39 39 GLY N N 39 106.200 106.200 107.481 -1.281 25178 487 1 4 . 1 1 39 39 GLY C C 39 173.500 173.500 176.116 -2.616 25178 488 1 4 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.913 3.237 25178 489 1 4 . 1 1 41 41 ALA N N 41 127.600 127.600 121.841 5.759 25178 490 1 4 . 1 1 41 41 ALA C C 41 174.800 174.800 179.826 -5.026 25178 491 1 4 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.861 -4.161 25178 492 1 4 . 1 1 42 42 TYR N N 42 122.400 122.400 118.532 3.868 25178 493 1 4 . 1 1 42 42 TYR C C 42 175.300 175.300 178.027 -2.727 25178 494 1 4 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.859 -5.999 25178 495 1 4 . 1 1 43 43 ALA N N 43 129.400 129.400 123.151 6.249 25178 496 1 4 . 1 1 43 43 ALA C C 43 175.000 175.000 179.307 -4.307 25178 497 1 4 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.154 -5.064 25178 498 1 4 . 1 1 44 44 PHE N N 44 123.400 123.400 115.716 7.684 25178 499 1 4 . 1 1 44 44 PHE C C 44 172.600 172.600 178.250 -5.650 25178 500 1 4 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.530 -8.430 25178 501 1 4 . 1 1 45 45 TYR N N 45 119.800 119.800 122.107 -2.307 25178 502 1 4 . 1 1 45 45 TYR C C 45 176.100 176.100 178.228 -2.128 25178 503 1 4 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.655 -7.545 25178 504 1 4 . 1 1 47 47 VAL N N 47 130.500 130.500 120.233 10.267 25178 505 1 4 . 1 1 47 47 VAL C C 47 171.200 171.200 176.734 -5.534 25178 506 1 4 . 1 1 47 47 VAL CA C 47 62.030 62.030 64.204 -2.174 25178 507 1 4 . 1 1 48 48 TRP N N 48 125.200 125.200 120.892 4.308 25178 508 1 4 . 1 1 49 49 PRO C C 49 173.600 173.600 178.327 -4.727 25178 509 1 4 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.368 -4.678 25178 510 1 4 . 1 1 50 50 LEU N N 50 126.800 126.800 119.920 6.880 25178 511 1 4 . 1 1 50 50 LEU C C 50 174.100 174.100 178.504 -4.404 25178 512 1 4 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.493 -4.413 25178 513 1 4 . 1 1 51 51 LEU N N 51 126.500 126.500 119.022 7.478 25178 514 1 4 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.880 -4.170 25178 515 1 4 . 1 1 52 52 LEU N N 52 126.900 126.900 118.570 8.330 25178 516 1 4 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.125 -3.885 25178 517 1 4 . 1 1 53 53 LEU N N 53 125.500 125.500 118.774 6.726 25178 518 1 4 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.595 -3.705 25178 519 1 4 . 1 1 54 54 LEU N N 54 126.200 126.200 120.730 5.470 25178 520 1 4 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.959 -3.899 25178 521 1 4 . 1 1 55 55 LEU N N 55 126.200 126.200 119.438 6.762 25178 522 1 4 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.880 -3.130 25178 523 1 4 . 1 1 57 57 LEU N N 57 125.800 125.800 119.184 6.616 25178 524 1 4 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.419 -0.639 25178 525 1 5 . 1 1 6 6 VAL N N 6 126.400 126.400 123.296 3.104 25178 526 1 5 . 1 1 6 6 VAL C C 6 173.900 173.900 177.281 -3.381 25178 527 1 5 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.698 -3.668 25178 528 1 5 . 1 1 7 7 VAL N N 7 126.800 126.800 120.326 6.474 25178 529 1 5 . 1 1 7 7 VAL C C 7 173.400 173.400 178.045 -4.645 25178 530 1 5 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.793 -4.903 25178 531 1 5 . 1 1 8 8 LEU N N 8 130.000 130.000 119.247 10.753 25178 532 1 5 . 1 1 8 8 LEU C C 8 174.900 174.900 178.165 -3.265 25178 533 1 5 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.311 -1.741 25178 534 1 5 . 1 1 9 9 ASN N N 9 128.300 128.300 117.947 10.353 25178 535 1 5 . 1 1 9 9 ASN C C 9 173.600 173.600 177.239 -3.639 25178 536 1 5 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.871 -2.801 25178 537 1 5 . 1 1 10 10 ALA N N 10 129.900 129.900 121.470 8.430 25178 538 1 5 . 1 1 10 10 ALA C C 10 173.700 173.700 179.277 -5.577 25178 539 1 5 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.947 -2.117 25178 540 1 5 . 1 1 11 11 ALA N N 11 122.400 122.400 120.244 2.156 25178 541 1 5 . 1 1 11 11 ALA C C 11 175.000 175.000 179.673 -4.673 25178 542 1 5 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.105 -4.825 25178 543 1 5 . 1 1 12 12 SER N N 12 120.400 120.400 113.629 6.771 25178 544 1 5 . 1 1 12 12 SER C C 12 174.600 174.600 176.654 -2.054 25178 545 1 5 . 1 1 12 12 SER CA C 12 57.780 57.780 61.796 -4.016 25178 546 1 5 . 1 1 13 13 VAL N N 13 126.200 126.200 121.097 5.103 25178 547 1 5 . 1 1 13 13 VAL C C 13 174.800 174.800 177.691 -2.891 25178 548 1 5 . 1 1 13 13 VAL CA C 13 60.690 60.690 66.551 -5.861 25178 549 1 5 . 1 1 14 14 ALA N N 14 125.500 125.500 120.733 4.767 25178 550 1 5 . 1 1 14 14 ALA C C 14 171.900 171.900 179.375 -7.475 25178 551 1 5 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.287 -4.367 25178 552 1 5 . 1 1 15 15 GLY N N 15 107.800 107.800 107.047 0.753 25178 553 1 5 . 1 1 15 15 GLY C C 15 174.900 174.900 175.568 -0.668 25178 554 1 5 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.838 3.312 25178 555 1 5 . 1 1 16 16 ALA N N 16 124.800 124.800 124.432 0.368 25178 556 1 5 . 1 1 16 16 ALA C C 16 176.700 176.700 178.735 -2.035 25178 557 1 5 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.857 -4.347 25178 558 1 5 . 1 1 17 17 HIS N N 17 120.700 120.700 119.121 1.579 25178 559 1 5 . 1 1 17 17 HIS C C 17 174.600 174.600 177.463 -2.863 25178 560 1 5 . 1 1 17 17 HIS CA C 17 57.940 57.940 60.166 -2.226 25178 561 1 5 . 1 1 19 19 ILE N N 19 124.200 124.200 122.852 1.348 25178 562 1 5 . 1 1 19 19 ILE C C 19 174.000 174.000 177.858 -3.858 25178 563 1 5 . 1 1 19 19 ILE CA C 19 60.010 60.010 64.919 -4.909 25178 564 1 5 . 1 1 20 20 LEU N N 20 124.100 124.100 119.478 4.622 25178 565 1 5 . 1 1 20 20 LEU C C 20 175.900 175.900 179.360 -3.460 25178 566 1 5 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.004 -2.954 25178 567 1 5 . 1 1 21 21 SER N N 21 118.800 118.800 115.097 3.703 25178 568 1 5 . 1 1 21 21 SER C C 21 172.500 172.500 176.600 -4.100 25178 569 1 5 . 1 1 21 21 SER CA C 21 56.690 56.690 61.300 -4.610 25178 570 1 5 . 1 1 22 22 PHE N N 22 120.800 120.800 122.932 -2.132 25178 571 1 5 . 1 1 22 22 PHE C C 22 178.000 178.000 177.028 0.972 25178 572 1 5 . 1 1 22 22 PHE CA C 22 58.880 58.880 62.057 -3.177 25178 573 1 5 . 1 1 23 23 LEU N N 23 116.700 116.700 119.124 -2.424 25178 574 1 5 . 1 1 23 23 LEU C C 23 174.100 174.100 178.302 -4.202 25178 575 1 5 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.870 -3.050 25178 576 1 5 . 1 1 24 24 VAL N N 24 129.400 129.400 119.692 9.708 25178 577 1 5 . 1 1 24 24 VAL C C 24 175.900 175.900 177.814 -1.914 25178 578 1 5 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.972 -5.012 25178 579 1 5 . 1 1 25 25 PHE N N 25 120.700 120.700 121.202 -0.502 25178 580 1 5 . 1 1 25 25 PHE C C 25 173.400 173.400 177.016 -3.616 25178 581 1 5 . 1 1 25 25 PHE CA C 25 54.850 54.850 61.967 -7.117 25178 582 1 5 . 1 1 26 26 PHE N N 26 122.600 122.600 119.671 2.929 25178 583 1 5 . 1 1 26 26 PHE C C 26 172.700 172.700 177.128 -4.428 25178 584 1 5 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.747 -4.177 25178 585 1 5 . 1 1 27 27 SER N N 27 119.500 119.500 115.243 4.257 25178 586 1 5 . 1 1 27 27 SER C C 27 172.900 172.900 176.688 -3.788 25178 587 1 5 . 1 1 27 27 SER CA C 27 57.820 57.820 61.573 -3.753 25178 588 1 5 . 1 1 28 28 ALA N N 28 121.900 121.900 123.208 -1.308 25178 589 1 5 . 1 1 28 28 ALA C C 28 177.700 177.700 178.914 -1.214 25178 590 1 5 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.346 -4.436 25178 591 1 5 . 1 1 29 29 ALA N N 29 126.800 126.800 122.316 4.484 25178 592 1 5 . 1 1 29 29 ALA C C 29 174.900 174.900 178.829 -3.929 25178 593 1 5 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.920 -2.750 25178 594 1 5 . 1 1 30 30 TRP N N 30 126.900 126.900 119.326 7.574 25178 595 1 5 . 1 1 30 30 TRP C C 30 174.200 174.200 177.372 -3.172 25178 596 1 5 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.557 -4.348 25178 597 1 5 . 1 1 31 31 TYR N N 31 122.100 122.100 120.481 1.619 25178 598 1 5 . 1 1 31 31 TYR C C 31 176.900 176.900 177.689 -0.789 25178 599 1 5 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.560 -7.770 25178 600 1 5 . 1 1 32 32 ILE N N 32 125.700 125.700 118.315 7.385 25178 601 1 5 . 1 1 32 32 ILE C C 32 175.000 175.000 178.100 -3.100 25178 602 1 5 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.331 -3.591 25178 603 1 5 . 1 1 33 33 LYS N N 33 123.300 123.300 118.482 4.818 25178 604 1 5 . 1 1 33 33 LYS C C 33 173.900 173.900 177.151 -3.251 25178 605 1 5 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.515 0.425 25178 606 1 5 . 1 1 35 35 ARG N N 35 131.800 131.800 121.235 10.565 25178 607 1 5 . 1 1 35 35 ARG C C 35 173.500 173.500 173.602 -0.102 25178 608 1 5 . 1 1 35 35 ARG CA C 35 57.950 57.950 54.487 3.463 25178 609 1 5 . 1 1 36 36 LEU N N 36 125.700 125.700 125.083 0.617 25178 610 1 5 . 1 1 36 36 LEU C C 36 175.400 175.400 175.670 -0.270 25178 611 1 5 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.276 1.934 25178 612 1 5 . 1 1 37 37 ALA N N 37 123.600 123.600 130.846 -7.246 25178 613 1 5 . 1 1 37 37 ALA C C 37 174.300 174.300 176.162 -1.862 25178 614 1 5 . 1 1 37 37 ALA CA C 37 56.250 56.250 49.477 6.773 25178 615 1 5 . 1 1 38 38 PRO C C 38 174.700 174.700 178.709 -4.009 25178 616 1 5 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.135 -4.485 25178 617 1 5 . 1 1 39 39 GLY N N 39 106.200 106.200 106.314 -0.114 25178 618 1 5 . 1 1 39 39 GLY C C 39 173.500 173.500 175.696 -2.196 25178 619 1 5 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.757 3.393 25178 620 1 5 . 1 1 41 41 ALA N N 41 127.600 127.600 121.589 6.011 25178 621 1 5 . 1 1 41 41 ALA C C 41 174.800 174.800 179.455 -4.655 25178 622 1 5 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.982 -4.282 25178 623 1 5 . 1 1 42 42 TYR N N 42 122.400 122.400 118.971 3.429 25178 624 1 5 . 1 1 42 42 TYR C C 42 175.300 175.300 177.932 -2.632 25178 625 1 5 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.893 -6.033 25178 626 1 5 . 1 1 43 43 ALA N N 43 129.400 129.400 122.779 6.621 25178 627 1 5 . 1 1 43 43 ALA C C 43 175.000 175.000 179.698 -4.698 25178 628 1 5 . 1 1 43 43 ALA CA C 43 50.090 50.090 54.942 -4.852 25178 629 1 5 . 1 1 44 44 PHE N N 44 123.400 123.400 116.855 6.545 25178 630 1 5 . 1 1 44 44 PHE C C 44 172.600 172.600 177.580 -4.980 25178 631 1 5 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.701 -8.601 25178 632 1 5 . 1 1 45 45 TYR N N 45 119.800 119.800 121.011 -1.211 25178 633 1 5 . 1 1 45 45 TYR C C 45 176.100 176.100 177.750 -1.650 25178 634 1 5 . 1 1 45 45 TYR CA C 45 54.110 54.110 60.895 -6.785 25178 635 1 5 . 1 1 47 47 VAL N N 47 130.500 130.500 119.382 11.118 25178 636 1 5 . 1 1 47 47 VAL C C 47 171.200 171.200 176.531 -5.331 25178 637 1 5 . 1 1 47 47 VAL CA C 47 62.030 62.030 62.538 -0.508 25178 638 1 5 . 1 1 48 48 TRP N N 48 125.200 125.200 122.465 2.735 25178 639 1 5 . 1 1 49 49 PRO C C 49 173.600 173.600 178.262 -4.662 25178 640 1 5 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.680 -4.990 25178 641 1 5 . 1 1 50 50 LEU N N 50 126.800 126.800 116.770 10.030 25178 642 1 5 . 1 1 50 50 LEU C C 50 174.100 174.100 178.990 -4.890 25178 643 1 5 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.425 -4.345 25178 644 1 5 . 1 1 51 51 LEU N N 51 126.500 126.500 120.146 6.354 25178 645 1 5 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.883 -4.173 25178 646 1 5 . 1 1 52 52 LEU N N 52 126.900 126.900 117.977 8.923 25178 647 1 5 . 1 1 52 52 LEU CA C 52 54.240 54.240 57.751 -3.511 25178 648 1 5 . 1 1 53 53 LEU N N 53 125.500 125.500 118.396 7.104 25178 649 1 5 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.355 -3.465 25178 650 1 5 . 1 1 54 54 LEU N N 54 126.200 126.200 120.671 5.529 25178 651 1 5 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.702 -3.642 25178 652 1 5 . 1 1 55 55 LEU N N 55 126.200 126.200 118.528 7.672 25178 653 1 5 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.807 -3.057 25178 654 1 5 . 1 1 57 57 LEU N N 57 125.800 125.800 120.367 5.433 25178 655 1 5 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.499 0.280 25178 656 1 6 . 1 1 6 6 VAL N N 6 126.400 126.400 123.528 2.872 25178 657 1 6 . 1 1 6 6 VAL C C 6 173.900 173.900 178.163 -4.263 25178 658 1 6 . 1 1 6 6 VAL CA C 6 61.030 61.030 65.097 -4.067 25178 659 1 6 . 1 1 7 7 VAL N N 7 126.800 126.800 119.739 7.061 25178 660 1 6 . 1 1 7 7 VAL C C 7 173.400 173.400 178.402 -5.002 25178 661 1 6 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.947 -5.057 25178 662 1 6 . 1 1 8 8 LEU N N 8 130.000 130.000 119.134 10.866 25178 663 1 6 . 1 1 8 8 LEU C C 8 174.900 174.900 178.238 -3.338 25178 664 1 6 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.522 -1.952 25178 665 1 6 . 1 1 9 9 ASN N N 9 128.300 128.300 117.782 10.518 25178 666 1 6 . 1 1 9 9 ASN C C 9 173.600 173.600 177.217 -3.617 25178 667 1 6 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.893 -2.823 25178 668 1 6 . 1 1 10 10 ALA N N 10 129.900 129.900 121.846 8.054 25178 669 1 6 . 1 1 10 10 ALA C C 10 173.700 173.700 179.010 -5.310 25178 670 1 6 . 1 1 10 10 ALA CA C 10 52.830 52.830 55.155 -2.325 25178 671 1 6 . 1 1 11 11 ALA N N 11 122.400 122.400 120.381 2.019 25178 672 1 6 . 1 1 11 11 ALA C C 11 175.000 175.000 179.482 -4.482 25178 673 1 6 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.147 -4.867 25178 674 1 6 . 1 1 12 12 SER N N 12 120.400 120.400 113.951 6.449 25178 675 1 6 . 1 1 12 12 SER C C 12 174.600 174.600 176.572 -1.972 25178 676 1 6 . 1 1 12 12 SER CA C 12 57.780 57.780 61.239 -3.459 25178 677 1 6 . 1 1 13 13 VAL N N 13 126.200 126.200 123.060 3.140 25178 678 1 6 . 1 1 13 13 VAL C C 13 174.800 174.800 177.709 -2.909 25178 679 1 6 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.535 -4.845 25178 680 1 6 . 1 1 14 14 ALA N N 14 125.500 125.500 120.768 4.732 25178 681 1 6 . 1 1 14 14 ALA C C 14 171.900 171.900 179.447 -7.547 25178 682 1 6 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.301 -4.381 25178 683 1 6 . 1 1 15 15 GLY N N 15 107.800 107.800 107.071 0.729 25178 684 1 6 . 1 1 15 15 GLY C C 15 174.900 174.900 175.490 -0.590 25178 685 1 6 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.845 3.305 25178 686 1 6 . 1 1 16 16 ALA N N 16 124.800 124.800 124.256 0.544 25178 687 1 6 . 1 1 16 16 ALA C C 16 176.700 176.700 178.903 -2.203 25178 688 1 6 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.835 -4.325 25178 689 1 6 . 1 1 17 17 HIS N N 17 120.700 120.700 118.901 1.799 25178 690 1 6 . 1 1 17 17 HIS C C 17 174.600 174.600 177.553 -2.953 25178 691 1 6 . 1 1 17 17 HIS CA C 17 57.940 57.940 59.965 -2.026 25178 692 1 6 . 1 1 19 19 ILE N N 19 124.200 124.200 119.375 4.825 25178 693 1 6 . 1 1 19 19 ILE C C 19 174.000 174.000 177.308 -3.308 25178 694 1 6 . 1 1 19 19 ILE CA C 19 60.010 60.010 64.123 -4.113 25178 695 1 6 . 1 1 20 20 LEU N N 20 124.100 124.100 121.369 2.731 25178 696 1 6 . 1 1 20 20 LEU C C 20 175.900 175.900 178.824 -2.924 25178 697 1 6 . 1 1 20 20 LEU CA C 20 55.050 55.050 57.678 -2.628 25178 698 1 6 . 1 1 21 21 SER N N 21 118.800 118.800 114.824 3.976 25178 699 1 6 . 1 1 21 21 SER C C 21 172.500 172.500 176.857 -4.357 25178 700 1 6 . 1 1 21 21 SER CA C 21 56.690 56.690 61.377 -4.686 25178 701 1 6 . 1 1 22 22 PHE N N 22 120.800 120.800 123.491 -2.691 25178 702 1 6 . 1 1 22 22 PHE C C 22 178.000 178.000 176.977 1.023 25178 703 1 6 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.768 -2.888 25178 704 1 6 . 1 1 23 23 LEU N N 23 116.700 116.700 118.680 -1.980 25178 705 1 6 . 1 1 23 23 LEU C C 23 174.100 174.100 178.841 -4.741 25178 706 1 6 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.990 -3.170 25178 707 1 6 . 1 1 24 24 VAL N N 24 129.400 129.400 120.041 9.359 25178 708 1 6 . 1 1 24 24 VAL C C 24 175.900 175.900 177.909 -2.009 25178 709 1 6 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.772 -4.811 25178 710 1 6 . 1 1 25 25 PHE N N 25 120.700 120.700 121.126 -0.426 25178 711 1 6 . 1 1 25 25 PHE C C 25 173.400 173.400 177.008 -3.608 25178 712 1 6 . 1 1 25 25 PHE CA C 25 54.850 54.850 61.870 -7.020 25178 713 1 6 . 1 1 26 26 PHE N N 26 122.600 122.600 119.645 2.955 25178 714 1 6 . 1 1 26 26 PHE C C 26 172.700 172.700 177.129 -4.429 25178 715 1 6 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.684 -4.114 25178 716 1 6 . 1 1 27 27 SER N N 27 119.500 119.500 115.273 4.227 25178 717 1 6 . 1 1 27 27 SER C C 27 172.900 172.900 176.759 -3.859 25178 718 1 6 . 1 1 27 27 SER CA C 27 57.820 57.820 61.413 -3.593 25178 719 1 6 . 1 1 28 28 ALA N N 28 121.900 121.900 123.309 -1.409 25178 720 1 6 . 1 1 28 28 ALA C C 28 177.700 177.700 178.854 -1.154 25178 721 1 6 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.434 -4.524 25178 722 1 6 . 1 1 29 29 ALA N N 29 126.800 126.800 121.903 4.897 25178 723 1 6 . 1 1 29 29 ALA C C 29 174.900 174.900 179.072 -4.172 25178 724 1 6 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.709 -2.539 25178 725 1 6 . 1 1 30 30 TRP N N 30 126.900 126.900 117.747 9.153 25178 726 1 6 . 1 1 30 30 TRP C C 30 174.200 174.200 178.181 -3.981 25178 727 1 6 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.772 -4.562 25178 728 1 6 . 1 1 31 31 TYR N N 31 122.100 122.100 119.922 2.178 25178 729 1 6 . 1 1 31 31 TYR C C 31 176.900 176.900 176.701 0.199 25178 730 1 6 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.242 -7.452 25178 731 1 6 . 1 1 32 32 ILE N N 32 125.700 125.700 117.429 8.271 25178 732 1 6 . 1 1 32 32 ILE C C 32 175.000 175.000 178.202 -3.202 25178 733 1 6 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.133 -3.393 25178 734 1 6 . 1 1 33 33 LYS N N 33 123.300 123.300 119.264 4.036 25178 735 1 6 . 1 1 33 33 LYS C C 33 173.900 173.900 178.116 -4.216 25178 736 1 6 . 1 1 33 33 LYS CA C 33 57.940 57.940 58.079 -0.139 25178 737 1 6 . 1 1 35 35 ARG N N 35 131.800 131.800 119.185 12.615 25178 738 1 6 . 1 1 35 35 ARG C C 35 173.500 173.500 176.551 -3.051 25178 739 1 6 . 1 1 35 35 ARG CA C 35 57.950 57.950 56.359 1.591 25178 740 1 6 . 1 1 36 36 LEU N N 36 125.700 125.700 125.557 0.143 25178 741 1 6 . 1 1 36 36 LEU C C 36 175.400 175.400 175.854 -0.454 25178 742 1 6 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.968 1.242 25178 743 1 6 . 1 1 37 37 ALA N N 37 123.600 123.600 124.492 -0.892 25178 744 1 6 . 1 1 37 37 ALA C C 37 174.300 174.300 175.807 -1.507 25178 745 1 6 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.523 5.727 25178 746 1 6 . 1 1 38 38 PRO C C 38 174.700 174.700 178.541 -3.841 25178 747 1 6 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.260 -4.610 25178 748 1 6 . 1 1 39 39 GLY N N 39 106.200 106.200 107.324 -1.124 25178 749 1 6 . 1 1 39 39 GLY C C 39 173.500 173.500 175.899 -2.399 25178 750 1 6 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.756 3.394 25178 751 1 6 . 1 1 41 41 ALA N N 41 127.600 127.600 121.863 5.737 25178 752 1 6 . 1 1 41 41 ALA C C 41 174.800 174.800 179.812 -5.012 25178 753 1 6 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.862 -4.162 25178 754 1 6 . 1 1 42 42 TYR N N 42 122.400 122.400 118.331 4.069 25178 755 1 6 . 1 1 42 42 TYR C C 42 175.300 175.300 177.876 -2.576 25178 756 1 6 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.645 -5.785 25178 757 1 6 . 1 1 43 43 ALA N N 43 129.400 129.400 123.221 6.179 25178 758 1 6 . 1 1 43 43 ALA C C 43 175.000 175.000 179.413 -4.413 25178 759 1 6 . 1 1 43 43 ALA CA C 43 50.090 50.090 54.916 -4.826 25178 760 1 6 . 1 1 44 44 PHE N N 44 123.400 123.400 116.317 7.083 25178 761 1 6 . 1 1 44 44 PHE C C 44 172.600 172.600 177.376 -4.776 25178 762 1 6 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.579 -8.479 25178 763 1 6 . 1 1 45 45 TYR N N 45 119.800 119.800 120.900 -1.100 25178 764 1 6 . 1 1 45 45 TYR C C 45 176.100 176.100 177.788 -1.688 25178 765 1 6 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.313 -7.203 25178 766 1 6 . 1 1 47 47 VAL N N 47 130.500 130.500 120.801 9.699 25178 767 1 6 . 1 1 47 47 VAL C C 47 171.200 171.200 176.993 -5.793 25178 768 1 6 . 1 1 47 47 VAL CA C 47 62.030 62.030 64.560 -2.530 25178 769 1 6 . 1 1 48 48 TRP N N 48 125.200 125.200 121.230 3.970 25178 770 1 6 . 1 1 49 49 PRO C C 49 173.600 173.600 178.192 -4.592 25178 771 1 6 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.454 -4.764 25178 772 1 6 . 1 1 50 50 LEU N N 50 126.800 126.800 119.990 6.810 25178 773 1 6 . 1 1 50 50 LEU C C 50 174.100 174.100 178.777 -4.677 25178 774 1 6 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.513 -4.433 25178 775 1 6 . 1 1 51 51 LEU N N 51 126.500 126.500 120.006 6.494 25178 776 1 6 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.734 -4.024 25178 777 1 6 . 1 1 52 52 LEU N N 52 126.900 126.900 119.597 7.303 25178 778 1 6 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.137 -3.897 25178 779 1 6 . 1 1 53 53 LEU N N 53 125.500 125.500 118.431 7.069 25178 780 1 6 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.626 -3.736 25178 781 1 6 . 1 1 54 54 LEU N N 54 126.200 126.200 119.148 7.052 25178 782 1 6 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.940 -3.880 25178 783 1 6 . 1 1 55 55 LEU N N 55 126.200 126.200 120.237 5.963 25178 784 1 6 . 1 1 55 55 LEU CA C 55 53.750 53.750 57.095 -3.345 25178 785 1 6 . 1 1 57 57 LEU N N 57 125.800 125.800 119.136 6.664 25178 786 1 6 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.376 -0.596 25178 787 1 7 . 1 1 6 6 VAL N N 6 126.400 126.400 123.352 3.048 25178 788 1 7 . 1 1 6 6 VAL C C 6 173.900 173.900 177.533 -3.633 25178 789 1 7 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.577 -3.547 25178 790 1 7 . 1 1 7 7 VAL N N 7 126.800 126.800 117.069 9.731 25178 791 1 7 . 1 1 7 7 VAL C C 7 173.400 173.400 177.484 -4.084 25178 792 1 7 . 1 1 7 7 VAL CA C 7 60.890 60.890 64.819 -3.929 25178 793 1 7 . 1 1 8 8 LEU N N 8 130.000 130.000 119.181 10.819 25178 794 1 7 . 1 1 8 8 LEU C C 8 174.900 174.900 178.382 -3.482 25178 795 1 7 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.054 -1.484 25178 796 1 7 . 1 1 9 9 ASN N N 9 128.300 128.300 117.779 10.521 25178 797 1 7 . 1 1 9 9 ASN C C 9 173.600 173.600 177.232 -3.632 25178 798 1 7 . 1 1 9 9 ASN CA C 9 53.070 53.070 56.118 -3.048 25178 799 1 7 . 1 1 10 10 ALA N N 10 129.900 129.900 122.227 7.673 25178 800 1 7 . 1 1 10 10 ALA C C 10 173.700 173.700 178.833 -5.133 25178 801 1 7 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.874 -2.044 25178 802 1 7 . 1 1 11 11 ALA N N 11 122.400 122.400 120.627 1.773 25178 803 1 7 . 1 1 11 11 ALA C C 11 175.000 175.000 179.570 -4.570 25178 804 1 7 . 1 1 11 11 ALA CA C 11 50.280 50.280 54.909 -4.629 25178 805 1 7 . 1 1 12 12 SER N N 12 120.400 120.400 113.767 6.633 25178 806 1 7 . 1 1 12 12 SER C C 12 174.600 174.600 176.623 -2.023 25178 807 1 7 . 1 1 12 12 SER CA C 12 57.780 57.780 61.495 -3.715 25178 808 1 7 . 1 1 13 13 VAL N N 13 126.200 126.200 121.719 4.481 25178 809 1 7 . 1 1 13 13 VAL C C 13 174.800 174.800 177.554 -2.754 25178 810 1 7 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.360 -4.670 25178 811 1 7 . 1 1 14 14 ALA N N 14 125.500 125.500 120.240 5.260 25178 812 1 7 . 1 1 14 14 ALA C C 14 171.900 171.900 179.492 -7.592 25178 813 1 7 . 1 1 14 14 ALA CA C 14 49.920 49.920 53.917 -3.997 25178 814 1 7 . 1 1 15 15 GLY N N 15 107.800 107.800 106.990 0.810 25178 815 1 7 . 1 1 15 15 GLY C C 15 174.900 174.900 175.504 -0.604 25178 816 1 7 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.773 3.377 25178 817 1 7 . 1 1 16 16 ALA N N 16 124.800 124.800 124.271 0.529 25178 818 1 7 . 1 1 16 16 ALA C C 16 176.700 176.700 179.370 -2.670 25178 819 1 7 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.714 -4.204 25178 820 1 7 . 1 1 17 17 HIS N N 17 120.700 120.700 117.843 2.857 25178 821 1 7 . 1 1 17 17 HIS C C 17 174.600 174.600 177.955 -3.355 25178 822 1 7 . 1 1 17 17 HIS CA C 17 57.940 57.940 58.202 -0.262 25178 823 1 7 . 1 1 19 19 ILE N N 19 124.200 124.200 122.477 1.723 25178 824 1 7 . 1 1 19 19 ILE C C 19 174.000 174.000 178.098 -4.098 25178 825 1 7 . 1 1 19 19 ILE CA C 19 60.010 60.010 62.763 -2.753 25178 826 1 7 . 1 1 20 20 LEU N N 20 124.100 124.100 120.936 3.164 25178 827 1 7 . 1 1 20 20 LEU C C 20 175.900 175.900 178.639 -2.739 25178 828 1 7 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.020 -2.970 25178 829 1 7 . 1 1 21 21 SER N N 21 118.800 118.800 115.633 3.167 25178 830 1 7 . 1 1 21 21 SER C C 21 172.500 172.500 176.689 -4.189 25178 831 1 7 . 1 1 21 21 SER CA C 21 56.690 56.690 61.330 -4.640 25178 832 1 7 . 1 1 22 22 PHE N N 22 120.800 120.800 123.392 -2.592 25178 833 1 7 . 1 1 22 22 PHE C C 22 178.000 178.000 177.058 0.942 25178 834 1 7 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.729 -2.849 25178 835 1 7 . 1 1 23 23 LEU N N 23 116.700 116.700 119.683 -2.983 25178 836 1 7 . 1 1 23 23 LEU C C 23 174.100 174.100 178.255 -4.155 25178 837 1 7 . 1 1 23 23 LEU CA C 23 54.820 54.820 57.885 -3.064 25178 838 1 7 . 1 1 24 24 VAL N N 24 129.400 129.400 120.031 9.369 25178 839 1 7 . 1 1 24 24 VAL C C 24 175.900 175.900 178.365 -2.465 25178 840 1 7 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.782 -4.822 25178 841 1 7 . 1 1 25 25 PHE N N 25 120.700 120.700 121.085 -0.385 25178 842 1 7 . 1 1 25 25 PHE C C 25 173.400 173.400 176.996 -3.596 25178 843 1 7 . 1 1 25 25 PHE CA C 25 54.850 54.850 61.828 -6.978 25178 844 1 7 . 1 1 26 26 PHE N N 26 122.600 122.600 120.166 2.434 25178 845 1 7 . 1 1 26 26 PHE C C 26 172.700 172.700 177.210 -4.510 25178 846 1 7 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.348 -3.778 25178 847 1 7 . 1 1 27 27 SER N N 27 119.500 119.500 114.772 4.728 25178 848 1 7 . 1 1 27 27 SER C C 27 172.900 172.900 176.884 -3.984 25178 849 1 7 . 1 1 27 27 SER CA C 27 57.820 57.820 61.621 -3.801 25178 850 1 7 . 1 1 28 28 ALA N N 28 121.900 121.900 123.929 -2.029 25178 851 1 7 . 1 1 28 28 ALA C C 28 177.700 177.700 178.876 -1.176 25178 852 1 7 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.280 -4.370 25178 853 1 7 . 1 1 29 29 ALA N N 29 126.800 126.800 121.937 4.863 25178 854 1 7 . 1 1 29 29 ALA C C 29 174.900 174.900 179.055 -4.155 25178 855 1 7 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.755 -2.585 25178 856 1 7 . 1 1 30 30 TRP N N 30 126.900 126.900 117.827 9.073 25178 857 1 7 . 1 1 30 30 TRP C C 30 174.200 174.200 178.189 -3.989 25178 858 1 7 . 1 1 30 30 TRP CA C 30 56.210 56.210 61.091 -4.881 25178 859 1 7 . 1 1 31 31 TYR N N 31 122.100 122.100 120.109 1.991 25178 860 1 7 . 1 1 31 31 TYR C C 31 176.900 176.900 177.175 -0.275 25178 861 1 7 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.265 -7.475 25178 862 1 7 . 1 1 32 32 ILE N N 32 125.700 125.700 117.904 7.796 25178 863 1 7 . 1 1 32 32 ILE C C 32 175.000 175.000 178.034 -3.034 25178 864 1 7 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.192 -3.452 25178 865 1 7 . 1 1 33 33 LYS N N 33 123.300 123.300 119.636 3.664 25178 866 1 7 . 1 1 33 33 LYS C C 33 173.900 173.900 177.337 -3.437 25178 867 1 7 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.714 0.226 25178 868 1 7 . 1 1 35 35 ARG N N 35 131.800 131.800 123.181 8.619 25178 869 1 7 . 1 1 35 35 ARG C C 35 173.500 173.500 174.786 -1.286 25178 870 1 7 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.134 2.816 25178 871 1 7 . 1 1 36 36 LEU N N 36 125.700 125.700 125.990 -0.290 25178 872 1 7 . 1 1 36 36 LEU C C 36 175.400 175.400 176.046 -0.646 25178 873 1 7 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.551 1.659 25178 874 1 7 . 1 1 37 37 ALA N N 37 123.600 123.600 128.023 -4.423 25178 875 1 7 . 1 1 37 37 ALA C C 37 174.300 174.300 175.812 -1.512 25178 876 1 7 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.917 5.333 25178 877 1 7 . 1 1 38 38 PRO C C 38 174.700 174.700 178.514 -3.814 25178 878 1 7 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.034 -4.384 25178 879 1 7 . 1 1 39 39 GLY N N 39 106.200 106.200 107.351 -1.151 25178 880 1 7 . 1 1 39 39 GLY C C 39 173.500 173.500 175.931 -2.431 25178 881 1 7 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.767 3.383 25178 882 1 7 . 1 1 41 41 ALA N N 41 127.600 127.600 121.966 5.634 25178 883 1 7 . 1 1 41 41 ALA C C 41 174.800 174.800 179.691 -4.891 25178 884 1 7 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.820 -4.120 25178 885 1 7 . 1 1 42 42 TYR N N 42 122.400 122.400 118.884 3.516 25178 886 1 7 . 1 1 42 42 TYR C C 42 175.300 175.300 178.114 -2.814 25178 887 1 7 . 1 1 42 42 TYR CA C 42 55.860 55.860 62.040 -6.180 25178 888 1 7 . 1 1 43 43 ALA N N 43 129.400 129.400 122.833 6.567 25178 889 1 7 . 1 1 43 43 ALA C C 43 175.000 175.000 179.459 -4.459 25178 890 1 7 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.093 -5.003 25178 891 1 7 . 1 1 44 44 PHE N N 44 123.400 123.400 119.372 4.028 25178 892 1 7 . 1 1 44 44 PHE C C 44 172.600 172.600 176.966 -4.366 25178 893 1 7 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.426 -8.326 25178 894 1 7 . 1 1 45 45 TYR N N 45 119.800 119.800 119.946 -0.146 25178 895 1 7 . 1 1 45 45 TYR C C 45 176.100 176.100 177.621 -1.521 25178 896 1 7 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.094 -6.984 25178 897 1 7 . 1 1 47 47 VAL N N 47 130.500 130.500 120.342 10.158 25178 898 1 7 . 1 1 47 47 VAL C C 47 171.200 171.200 176.841 -5.641 25178 899 1 7 . 1 1 47 47 VAL CA C 47 62.030 62.030 64.426 -2.396 25178 900 1 7 . 1 1 48 48 TRP N N 48 125.200 125.200 120.761 4.439 25178 901 1 7 . 1 1 49 49 PRO C C 49 173.600 173.600 178.204 -4.604 25178 902 1 7 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.395 -4.705 25178 903 1 7 . 1 1 50 50 LEU N N 50 126.800 126.800 120.699 6.101 25178 904 1 7 . 1 1 50 50 LEU C C 50 174.100 174.100 178.596 -4.496 25178 905 1 7 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.733 -4.653 25178 906 1 7 . 1 1 51 51 LEU N N 51 126.500 126.500 118.914 7.586 25178 907 1 7 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.764 -4.054 25178 908 1 7 . 1 1 52 52 LEU N N 52 126.900 126.900 121.189 5.711 25178 909 1 7 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.299 -4.059 25178 910 1 7 . 1 1 53 53 LEU N N 53 125.500 125.500 118.617 6.883 25178 911 1 7 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.813 -3.923 25178 912 1 7 . 1 1 54 54 LEU N N 54 126.200 126.200 120.689 5.511 25178 913 1 7 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.910 -3.850 25178 914 1 7 . 1 1 55 55 LEU N N 55 126.200 126.200 119.583 6.617 25178 915 1 7 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.876 -3.126 25178 916 1 7 . 1 1 57 57 LEU N N 57 125.800 125.800 119.177 6.623 25178 917 1 7 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.402 -0.622 25178 918 1 8 . 1 1 6 6 VAL N N 6 126.400 126.400 122.108 4.292 25178 919 1 8 . 1 1 6 6 VAL C C 6 173.900 173.900 177.500 -3.600 25178 920 1 8 . 1 1 6 6 VAL CA C 6 61.030 61.030 65.070 -4.040 25178 921 1 8 . 1 1 7 7 VAL N N 7 126.800 126.800 121.181 5.619 25178 922 1 8 . 1 1 7 7 VAL C C 7 173.400 173.400 178.575 -5.175 25178 923 1 8 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.930 -5.040 25178 924 1 8 . 1 1 8 8 LEU N N 8 130.000 130.000 118.418 11.582 25178 925 1 8 . 1 1 8 8 LEU C C 8 174.900 174.900 178.983 -4.083 25178 926 1 8 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.453 -1.883 25178 927 1 8 . 1 1 9 9 ASN N N 9 128.300 128.300 117.372 10.928 25178 928 1 8 . 1 1 9 9 ASN C C 9 173.600 173.600 177.120 -3.520 25178 929 1 8 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.724 -2.654 25178 930 1 8 . 1 1 10 10 ALA N N 10 129.900 129.900 122.188 7.712 25178 931 1 8 . 1 1 10 10 ALA C C 10 173.700 173.700 179.361 -5.661 25178 932 1 8 . 1 1 10 10 ALA CA C 10 52.830 52.830 55.156 -2.326 25178 933 1 8 . 1 1 11 11 ALA N N 11 122.400 122.400 120.723 1.677 25178 934 1 8 . 1 1 11 11 ALA C C 11 175.000 175.000 179.786 -4.786 25178 935 1 8 . 1 1 11 11 ALA CA C 11 50.280 50.280 54.959 -4.679 25178 936 1 8 . 1 1 12 12 SER N N 12 120.400 120.400 114.109 6.291 25178 937 1 8 . 1 1 12 12 SER C C 12 174.600 174.600 176.823 -2.223 25178 938 1 8 . 1 1 12 12 SER CA C 12 57.780 57.780 61.533 -3.753 25178 939 1 8 . 1 1 13 13 VAL N N 13 126.200 126.200 117.585 8.615 25178 940 1 8 . 1 1 13 13 VAL C C 13 174.800 174.800 177.958 -3.158 25178 941 1 8 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.085 -4.395 25178 942 1 8 . 1 1 14 14 ALA N N 14 125.500 125.500 122.642 2.858 25178 943 1 8 . 1 1 14 14 ALA C C 14 171.900 171.900 179.583 -7.683 25178 944 1 8 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.405 -4.485 25178 945 1 8 . 1 1 15 15 GLY N N 15 107.800 107.800 105.648 2.152 25178 946 1 8 . 1 1 15 15 GLY C C 15 174.900 174.900 175.302 -0.402 25178 947 1 8 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.564 3.586 25178 948 1 8 . 1 1 16 16 ALA N N 16 124.800 124.800 124.088 0.712 25178 949 1 8 . 1 1 16 16 ALA C C 16 176.700 176.700 179.335 -2.635 25178 950 1 8 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.800 -4.290 25178 951 1 8 . 1 1 17 17 HIS N N 17 120.700 120.700 117.992 2.708 25178 952 1 8 . 1 1 17 17 HIS C C 17 174.600 174.600 178.042 -3.442 25178 953 1 8 . 1 1 17 17 HIS CA C 17 57.940 57.940 60.370 -2.430 25178 954 1 8 . 1 1 19 19 ILE N N 19 124.200 124.200 122.345 1.855 25178 955 1 8 . 1 1 19 19 ILE C C 19 174.000 174.000 177.356 -3.356 25178 956 1 8 . 1 1 19 19 ILE CA C 19 60.010 60.010 63.806 -3.796 25178 957 1 8 . 1 1 20 20 LEU N N 20 124.100 124.100 120.449 3.651 25178 958 1 8 . 1 1 20 20 LEU C C 20 175.900 175.900 178.458 -2.558 25178 959 1 8 . 1 1 20 20 LEU CA C 20 55.050 55.050 57.651 -2.602 25178 960 1 8 . 1 1 21 21 SER N N 21 118.800 118.800 115.634 3.166 25178 961 1 8 . 1 1 21 21 SER C C 21 172.500 172.500 176.973 -4.473 25178 962 1 8 . 1 1 21 21 SER CA C 21 56.690 56.690 61.322 -4.632 25178 963 1 8 . 1 1 22 22 PHE N N 22 120.800 120.800 123.599 -2.799 25178 964 1 8 . 1 1 22 22 PHE C C 22 178.000 178.000 176.769 1.231 25178 965 1 8 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.740 -2.860 25178 966 1 8 . 1 1 23 23 LEU N N 23 116.700 116.700 118.940 -2.240 25178 967 1 8 . 1 1 23 23 LEU C C 23 174.100 174.100 178.754 -4.654 25178 968 1 8 . 1 1 23 23 LEU CA C 23 54.820 54.820 58.271 -3.451 25178 969 1 8 . 1 1 24 24 VAL N N 24 129.400 129.400 119.675 9.725 25178 970 1 8 . 1 1 24 24 VAL C C 24 175.900 175.900 178.145 -2.245 25178 971 1 8 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.729 -4.769 25178 972 1 8 . 1 1 25 25 PHE N N 25 120.700 120.700 119.102 1.598 25178 973 1 8 . 1 1 25 25 PHE C C 25 173.400 173.400 177.889 -4.489 25178 974 1 8 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.387 -7.537 25178 975 1 8 . 1 1 26 26 PHE N N 26 122.600 122.600 120.248 2.352 25178 976 1 8 . 1 1 26 26 PHE C C 26 172.700 172.700 177.310 -4.610 25178 977 1 8 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.497 -3.927 25178 978 1 8 . 1 1 27 27 SER N N 27 119.500 119.500 114.871 4.629 25178 979 1 8 . 1 1 27 27 SER C C 27 172.900 172.900 177.240 -4.340 25178 980 1 8 . 1 1 27 27 SER CA C 27 57.820 57.820 61.910 -4.090 25178 981 1 8 . 1 1 28 28 ALA N N 28 121.900 121.900 123.745 -1.845 25178 982 1 8 . 1 1 28 28 ALA C C 28 177.700 177.700 179.400 -1.700 25178 983 1 8 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.613 -4.703 25178 984 1 8 . 1 1 29 29 ALA N N 29 126.800 126.800 121.276 5.524 25178 985 1 8 . 1 1 29 29 ALA C C 29 174.900 174.900 178.722 -3.822 25178 986 1 8 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.786 -2.616 25178 987 1 8 . 1 1 30 30 TRP N N 30 126.900 126.900 118.230 8.670 25178 988 1 8 . 1 1 30 30 TRP C C 30 174.200 174.200 178.554 -4.354 25178 989 1 8 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.519 -4.309 25178 990 1 8 . 1 1 31 31 TYR N N 31 122.100 122.100 117.494 4.606 25178 991 1 8 . 1 1 31 31 TYR C C 31 176.900 176.900 177.628 -0.728 25178 992 1 8 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.558 -7.768 25178 993 1 8 . 1 1 32 32 ILE N N 32 125.700 125.700 118.196 7.504 25178 994 1 8 . 1 1 32 32 ILE C C 32 175.000 175.000 177.927 -2.927 25178 995 1 8 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.049 -3.309 25178 996 1 8 . 1 1 33 33 LYS N N 33 123.300 123.300 118.464 4.836 25178 997 1 8 . 1 1 33 33 LYS C C 33 173.900 173.900 177.880 -3.980 25178 998 1 8 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.655 0.285 25178 999 1 8 . 1 1 35 35 ARG N N 35 131.800 131.800 120.147 11.653 25178 1000 1 8 . 1 1 35 35 ARG C C 35 173.500 173.500 177.006 -3.506 25178 1001 1 8 . 1 1 35 35 ARG CA C 35 57.950 57.950 56.265 1.685 25178 1002 1 8 . 1 1 36 36 LEU N N 36 125.700 125.700 126.066 -0.366 25178 1003 1 8 . 1 1 36 36 LEU C C 36 175.400 175.400 176.173 -0.773 25178 1004 1 8 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.745 1.465 25178 1005 1 8 . 1 1 37 37 ALA N N 37 123.600 123.600 123.133 0.467 25178 1006 1 8 . 1 1 37 37 ALA C C 37 174.300 174.300 175.799 -1.499 25178 1007 1 8 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.439 5.811 25178 1008 1 8 . 1 1 38 38 PRO C C 38 174.700 174.700 178.394 -3.694 25178 1009 1 8 . 1 1 38 38 PRO CA C 38 60.650 60.650 64.598 -3.948 25178 1010 1 8 . 1 1 39 39 GLY N N 39 106.200 106.200 107.484 -1.284 25178 1011 1 8 . 1 1 39 39 GLY C C 39 173.500 173.500 175.898 -2.398 25178 1012 1 8 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.767 3.384 25178 1013 1 8 . 1 1 41 41 ALA N N 41 127.600 127.600 121.917 5.683 25178 1014 1 8 . 1 1 41 41 ALA C C 41 174.800 174.800 179.644 -4.844 25178 1015 1 8 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.794 -4.094 25178 1016 1 8 . 1 1 42 42 TYR N N 42 122.400 122.400 118.898 3.502 25178 1017 1 8 . 1 1 42 42 TYR C C 42 175.300 175.300 178.058 -2.758 25178 1018 1 8 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.925 -6.065 25178 1019 1 8 . 1 1 43 43 ALA N N 43 129.400 129.400 123.173 6.227 25178 1020 1 8 . 1 1 43 43 ALA C C 43 175.000 175.000 179.275 -4.275 25178 1021 1 8 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.072 -4.982 25178 1022 1 8 . 1 1 44 44 PHE N N 44 123.400 123.400 119.273 4.127 25178 1023 1 8 . 1 1 44 44 PHE C C 44 172.600 172.600 177.215 -4.615 25178 1024 1 8 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.646 -8.546 25178 1025 1 8 . 1 1 45 45 TYR N N 45 119.800 119.800 119.891 -0.091 25178 1026 1 8 . 1 1 45 45 TYR C C 45 176.100 176.100 177.557 -1.457 25178 1027 1 8 . 1 1 45 45 TYR CA C 45 54.110 54.110 60.601 -6.491 25178 1028 1 8 . 1 1 47 47 VAL N N 47 130.500 130.500 119.506 10.994 25178 1029 1 8 . 1 1 47 47 VAL C C 47 171.200 171.200 176.266 -5.066 25178 1030 1 8 . 1 1 47 47 VAL CA C 47 62.030 62.030 62.252 -0.222 25178 1031 1 8 . 1 1 48 48 TRP N N 48 125.200 125.200 122.281 2.919 25178 1032 1 8 . 1 1 49 49 PRO C C 49 173.600 173.600 178.476 -4.876 25178 1033 1 8 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.778 -5.088 25178 1034 1 8 . 1 1 50 50 LEU N N 50 126.800 126.800 116.854 9.946 25178 1035 1 8 . 1 1 50 50 LEU C C 50 174.100 174.100 178.818 -4.718 25178 1036 1 8 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.444 -4.364 25178 1037 1 8 . 1 1 51 51 LEU N N 51 126.500 126.500 119.779 6.721 25178 1038 1 8 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.763 -4.053 25178 1039 1 8 . 1 1 52 52 LEU N N 52 126.900 126.900 117.369 9.531 25178 1040 1 8 . 1 1 52 52 LEU CA C 52 54.240 54.240 57.650 -3.409 25178 1041 1 8 . 1 1 53 53 LEU N N 53 125.500 125.500 120.073 5.427 25178 1042 1 8 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.901 -4.011 25178 1043 1 8 . 1 1 54 54 LEU N N 54 126.200 126.200 119.021 7.179 25178 1044 1 8 . 1 1 54 54 LEU CA C 54 54.060 54.060 58.077 -4.016 25178 1045 1 8 . 1 1 55 55 LEU N N 55 126.200 126.200 118.137 8.063 25178 1046 1 8 . 1 1 55 55 LEU CA C 55 53.750 53.750 57.105 -3.355 25178 1047 1 8 . 1 1 57 57 LEU N N 57 125.800 125.800 119.137 6.663 25178 1048 1 8 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.381 -0.601 25178 1049 1 9 . 1 1 6 6 VAL N N 6 126.400 126.400 121.410 4.990 25178 1050 1 9 . 1 1 6 6 VAL C C 6 173.900 173.900 176.794 -2.894 25178 1051 1 9 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.471 -3.441 25178 1052 1 9 . 1 1 7 7 VAL N N 7 126.800 126.800 119.921 6.879 25178 1053 1 9 . 1 1 7 7 VAL C C 7 173.400 173.400 177.625 -4.225 25178 1054 1 9 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.604 -4.714 25178 1055 1 9 . 1 1 8 8 LEU N N 8 130.000 130.000 117.707 12.293 25178 1056 1 9 . 1 1 8 8 LEU C C 8 174.900 174.900 178.842 -3.942 25178 1057 1 9 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.047 -1.477 25178 1058 1 9 . 1 1 9 9 ASN N N 9 128.300 128.300 117.531 10.769 25178 1059 1 9 . 1 1 9 9 ASN C C 9 173.600 173.600 176.600 -3.000 25178 1060 1 9 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.712 -2.642 25178 1061 1 9 . 1 1 10 10 ALA N N 10 129.900 129.900 121.501 8.399 25178 1062 1 9 . 1 1 10 10 ALA C C 10 173.700 173.700 179.237 -5.537 25178 1063 1 9 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.880 -2.050 25178 1064 1 9 . 1 1 11 11 ALA N N 11 122.400 122.400 120.861 1.539 25178 1065 1 9 . 1 1 11 11 ALA C C 11 175.000 175.000 179.602 -4.602 25178 1066 1 9 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.184 -4.904 25178 1067 1 9 . 1 1 12 12 SER N N 12 120.400 120.400 114.238 6.162 25178 1068 1 9 . 1 1 12 12 SER C C 12 174.600 174.600 176.900 -2.300 25178 1069 1 9 . 1 1 12 12 SER CA C 12 57.780 57.780 61.491 -3.711 25178 1070 1 9 . 1 1 13 13 VAL N N 13 126.200 126.200 121.391 4.809 25178 1071 1 9 . 1 1 13 13 VAL C C 13 174.800 174.800 177.886 -3.086 25178 1072 1 9 . 1 1 13 13 VAL CA C 13 60.690 60.690 66.138 -5.448 25178 1073 1 9 . 1 1 14 14 ALA N N 14 125.500 125.500 120.852 4.648 25178 1074 1 9 . 1 1 14 14 ALA C C 14 171.900 171.900 179.495 -7.595 25178 1075 1 9 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.459 -4.539 25178 1076 1 9 . 1 1 15 15 GLY N N 15 107.800 107.800 107.008 0.792 25178 1077 1 9 . 1 1 15 15 GLY C C 15 174.900 174.900 175.602 -0.702 25178 1078 1 9 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.817 3.333 25178 1079 1 9 . 1 1 16 16 ALA N N 16 124.800 124.800 124.442 0.358 25178 1080 1 9 . 1 1 16 16 ALA C C 16 176.700 176.700 178.723 -2.023 25178 1081 1 9 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.812 -4.302 25178 1082 1 9 . 1 1 17 17 HIS N N 17 120.700 120.700 119.057 1.643 25178 1083 1 9 . 1 1 17 17 HIS C C 17 174.600 174.600 177.531 -2.931 25178 1084 1 9 . 1 1 17 17 HIS CA C 17 57.940 57.940 60.101 -2.161 25178 1085 1 9 . 1 1 19 19 ILE N N 19 124.200 124.200 122.838 1.362 25178 1086 1 9 . 1 1 19 19 ILE C C 19 174.000 174.000 178.241 -4.241 25178 1087 1 9 . 1 1 19 19 ILE CA C 19 60.010 60.010 63.042 -3.032 25178 1088 1 9 . 1 1 20 20 LEU N N 20 124.100 124.100 120.238 3.862 25178 1089 1 9 . 1 1 20 20 LEU C C 20 175.900 175.900 179.200 -3.300 25178 1090 1 9 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.432 -3.382 25178 1091 1 9 . 1 1 21 21 SER N N 21 118.800 118.800 115.925 2.875 25178 1092 1 9 . 1 1 21 21 SER C C 21 172.500 172.500 176.749 -4.249 25178 1093 1 9 . 1 1 21 21 SER CA C 21 56.690 56.690 62.299 -5.609 25178 1094 1 9 . 1 1 22 22 PHE N N 22 120.800 120.800 120.287 0.513 25178 1095 1 9 . 1 1 22 22 PHE C C 22 178.000 178.000 177.841 0.159 25178 1096 1 9 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.560 -2.680 25178 1097 1 9 . 1 1 23 23 LEU N N 23 116.700 116.700 121.297 -4.597 25178 1098 1 9 . 1 1 23 23 LEU C C 23 174.100 174.100 178.639 -4.539 25178 1099 1 9 . 1 1 23 23 LEU CA C 23 54.820 54.820 58.474 -3.654 25178 1100 1 9 . 1 1 24 24 VAL N N 24 129.400 129.400 119.061 10.339 25178 1101 1 9 . 1 1 24 24 VAL C C 24 175.900 175.900 178.128 -2.228 25178 1102 1 9 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.928 -4.968 25178 1103 1 9 . 1 1 25 25 PHE N N 25 120.700 120.700 122.246 -1.546 25178 1104 1 9 . 1 1 25 25 PHE C C 25 173.400 173.400 177.321 -3.921 25178 1105 1 9 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.324 -7.474 25178 1106 1 9 . 1 1 26 26 PHE N N 26 122.600 122.600 119.784 2.816 25178 1107 1 9 . 1 1 26 26 PHE C C 26 172.700 172.700 177.297 -4.597 25178 1108 1 9 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.705 -4.135 25178 1109 1 9 . 1 1 27 27 SER N N 27 119.500 119.500 114.847 4.653 25178 1110 1 9 . 1 1 27 27 SER C C 27 172.900 172.900 176.884 -3.984 25178 1111 1 9 . 1 1 27 27 SER CA C 27 57.820 57.820 61.127 -3.307 25178 1112 1 9 . 1 1 28 28 ALA N N 28 121.900 121.900 122.904 -1.004 25178 1113 1 9 . 1 1 28 28 ALA C C 28 177.700 177.700 178.982 -1.282 25178 1114 1 9 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.375 -4.465 25178 1115 1 9 . 1 1 29 29 ALA N N 29 126.800 126.800 121.790 5.010 25178 1116 1 9 . 1 1 29 29 ALA C C 29 174.900 174.900 178.993 -4.093 25178 1117 1 9 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.611 -2.441 25178 1118 1 9 . 1 1 30 30 TRP N N 30 126.900 126.900 117.586 9.314 25178 1119 1 9 . 1 1 30 30 TRP C C 30 174.200 174.200 178.158 -3.958 25178 1120 1 9 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.242 -4.032 25178 1121 1 9 . 1 1 31 31 TYR N N 31 122.100 122.100 120.301 1.799 25178 1122 1 9 . 1 1 31 31 TYR C C 31 176.900 176.900 177.510 -0.610 25178 1123 1 9 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.451 -7.661 25178 1124 1 9 . 1 1 32 32 ILE N N 32 125.700 125.700 118.382 7.318 25178 1125 1 9 . 1 1 32 32 ILE C C 32 175.000 175.000 178.256 -3.256 25178 1126 1 9 . 1 1 32 32 ILE CA C 32 60.740 60.740 64.292 -3.552 25178 1127 1 9 . 1 1 33 33 LYS N N 33 123.300 123.300 118.343 4.957 25178 1128 1 9 . 1 1 33 33 LYS C C 33 173.900 173.900 177.500 -3.600 25178 1129 1 9 . 1 1 33 33 LYS CA C 33 57.940 57.940 56.959 0.980 25178 1130 1 9 . 1 1 35 35 ARG N N 35 131.800 131.800 124.102 7.698 25178 1131 1 9 . 1 1 35 35 ARG C C 35 173.500 173.500 174.946 -1.446 25178 1132 1 9 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.076 2.874 25178 1133 1 9 . 1 1 36 36 LEU N N 36 125.700 125.700 126.035 -0.335 25178 1134 1 9 . 1 1 36 36 LEU C C 36 175.400 175.400 176.253 -0.853 25178 1135 1 9 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.440 1.770 25178 1136 1 9 . 1 1 37 37 ALA N N 37 123.600 123.600 129.101 -5.501 25178 1137 1 9 . 1 1 37 37 ALA C C 37 174.300 174.300 176.103 -1.803 25178 1138 1 9 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.025 6.225 25178 1139 1 9 . 1 1 38 38 PRO C C 38 174.700 174.700 178.611 -3.911 25178 1140 1 9 . 1 1 38 38 PRO CA C 38 60.650 60.650 64.876 -4.226 25178 1141 1 9 . 1 1 39 39 GLY N N 39 106.200 106.200 106.272 -0.072 25178 1142 1 9 . 1 1 39 39 GLY C C 39 173.500 173.500 175.599 -2.099 25178 1143 1 9 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.617 3.533 25178 1144 1 9 . 1 1 41 41 ALA N N 41 127.600 127.600 121.661 5.939 25178 1145 1 9 . 1 1 41 41 ALA C C 41 174.800 174.800 178.946 -4.146 25178 1146 1 9 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.943 -4.243 25178 1147 1 9 . 1 1 42 42 TYR N N 42 122.400 122.400 120.678 1.722 25178 1148 1 9 . 1 1 42 42 TYR C C 42 175.300 175.300 177.267 -1.967 25178 1149 1 9 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.599 -5.739 25178 1150 1 9 . 1 1 43 43 ALA N N 43 129.400 129.400 121.926 7.474 25178 1151 1 9 . 1 1 43 43 ALA C C 43 175.000 175.000 179.531 -4.531 25178 1152 1 9 . 1 1 43 43 ALA CA C 43 50.090 50.090 54.957 -4.867 25178 1153 1 9 . 1 1 44 44 PHE N N 44 123.400 123.400 119.193 4.207 25178 1154 1 9 . 1 1 44 44 PHE C C 44 172.600 172.600 176.904 -4.304 25178 1155 1 9 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.355 -8.255 25178 1156 1 9 . 1 1 45 45 TYR N N 45 119.800 119.800 120.360 -0.560 25178 1157 1 9 . 1 1 45 45 TYR C C 45 176.100 176.100 177.546 -1.446 25178 1158 1 9 . 1 1 45 45 TYR CA C 45 54.110 54.110 60.684 -6.574 25178 1159 1 9 . 1 1 47 47 VAL N N 47 130.500 130.500 119.441 11.059 25178 1160 1 9 . 1 1 47 47 VAL C C 47 171.200 171.200 176.501 -5.301 25178 1161 1 9 . 1 1 47 47 VAL CA C 47 62.030 62.030 62.808 -0.778 25178 1162 1 9 . 1 1 48 48 TRP N N 48 125.200 125.200 122.297 2.903 25178 1163 1 9 . 1 1 49 49 PRO C C 49 173.600 173.600 178.463 -4.863 25178 1164 1 9 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.659 -4.969 25178 1165 1 9 . 1 1 50 50 LEU N N 50 126.800 126.800 116.569 10.231 25178 1166 1 9 . 1 1 50 50 LEU C C 50 174.100 174.100 179.105 -5.005 25178 1167 1 9 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.561 -4.481 25178 1168 1 9 . 1 1 51 51 LEU N N 51 126.500 126.500 120.476 6.024 25178 1169 1 9 . 1 1 51 51 LEU CA C 51 53.710 53.710 58.057 -4.347 25178 1170 1 9 . 1 1 52 52 LEU N N 52 126.900 126.900 119.276 7.624 25178 1171 1 9 . 1 1 52 52 LEU CA C 52 54.240 54.240 57.896 -3.656 25178 1172 1 9 . 1 1 53 53 LEU N N 53 125.500 125.500 118.902 6.598 25178 1173 1 9 . 1 1 53 53 LEU CA C 53 53.890 53.890 58.215 -4.325 25178 1174 1 9 . 1 1 54 54 LEU N N 54 126.200 126.200 120.346 5.854 25178 1175 1 9 . 1 1 54 54 LEU CA C 54 54.060 54.060 58.037 -3.977 25178 1176 1 9 . 1 1 55 55 LEU N N 55 126.200 126.200 117.581 8.619 25178 1177 1 9 . 1 1 55 55 LEU CA C 55 53.750 53.750 57.121 -3.371 25178 1178 1 9 . 1 1 57 57 LEU N N 57 125.800 125.800 119.216 6.584 25178 1179 1 9 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.408 -0.628 25178 1180 1 10 . 1 1 6 6 VAL N N 6 126.400 126.400 120.224 6.176 25178 1181 1 10 . 1 1 6 6 VAL C C 6 173.900 173.900 177.489 -3.589 25178 1182 1 10 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.971 -3.941 25178 1183 1 10 . 1 1 7 7 VAL N N 7 126.800 126.800 118.780 8.020 25178 1184 1 10 . 1 1 7 7 VAL C C 7 173.400 173.400 177.771 -4.371 25178 1185 1 10 . 1 1 7 7 VAL CA C 7 60.890 60.890 66.145 -5.255 25178 1186 1 10 . 1 1 8 8 LEU N N 8 130.000 130.000 119.325 10.675 25178 1187 1 10 . 1 1 8 8 LEU C C 8 174.900 174.900 178.280 -3.380 25178 1188 1 10 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.497 -1.927 25178 1189 1 10 . 1 1 9 9 ASN N N 9 128.300 128.300 117.323 10.977 25178 1190 1 10 . 1 1 9 9 ASN C C 9 173.600 173.600 177.192 -3.592 25178 1191 1 10 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.201 -2.131 25178 1192 1 10 . 1 1 10 10 ALA N N 10 129.900 129.900 122.240 7.660 25178 1193 1 10 . 1 1 10 10 ALA C C 10 173.700 173.700 179.142 -5.442 25178 1194 1 10 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.952 -2.122 25178 1195 1 10 . 1 1 11 11 ALA N N 11 122.400 122.400 120.773 1.627 25178 1196 1 10 . 1 1 11 11 ALA C C 11 175.000 175.000 179.897 -4.897 25178 1197 1 10 . 1 1 11 11 ALA CA C 11 50.280 50.280 54.876 -4.596 25178 1198 1 10 . 1 1 12 12 SER N N 12 120.400 120.400 114.798 5.602 25178 1199 1 10 . 1 1 12 12 SER C C 12 174.600 174.600 176.538 -1.938 25178 1200 1 10 . 1 1 12 12 SER CA C 12 57.780 57.780 62.135 -4.355 25178 1201 1 10 . 1 1 13 13 VAL N N 13 126.200 126.200 121.704 4.496 25178 1202 1 10 . 1 1 13 13 VAL C C 13 174.800 174.800 177.808 -3.008 25178 1203 1 10 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.891 -5.200 25178 1204 1 10 . 1 1 14 14 ALA N N 14 125.500 125.500 121.153 4.347 25178 1205 1 10 . 1 1 14 14 ALA C C 14 171.900 171.900 179.708 -7.808 25178 1206 1 10 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.290 -4.370 25178 1207 1 10 . 1 1 15 15 GLY N N 15 107.800 107.800 107.116 0.684 25178 1208 1 10 . 1 1 15 15 GLY C C 15 174.900 174.900 175.566 -0.666 25178 1209 1 10 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.800 3.350 25178 1210 1 10 . 1 1 16 16 ALA N N 16 124.800 124.800 124.353 0.447 25178 1211 1 10 . 1 1 16 16 ALA C C 16 176.700 176.700 179.310 -2.610 25178 1212 1 10 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.651 -4.141 25178 1213 1 10 . 1 1 17 17 HIS N N 17 120.700 120.700 117.935 2.765 25178 1214 1 10 . 1 1 17 17 HIS C C 17 174.600 174.600 177.980 -3.380 25178 1215 1 10 . 1 1 17 17 HIS CA C 17 57.940 57.940 60.509 -2.569 25178 1216 1 10 . 1 1 19 19 ILE N N 19 124.200 124.200 122.389 1.811 25178 1217 1 10 . 1 1 19 19 ILE C C 19 174.000 174.000 178.036 -4.036 25178 1218 1 10 . 1 1 19 19 ILE CA C 19 60.010 60.010 62.705 -2.695 25178 1219 1 10 . 1 1 20 20 LEU N N 20 124.100 124.100 119.783 4.317 25178 1220 1 10 . 1 1 20 20 LEU C C 20 175.900 175.900 179.519 -3.619 25178 1221 1 10 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.092 -3.042 25178 1222 1 10 . 1 1 21 21 SER N N 21 118.800 118.800 115.489 3.311 25178 1223 1 10 . 1 1 21 21 SER C C 21 172.500 172.500 176.919 -4.419 25178 1224 1 10 . 1 1 21 21 SER CA C 21 56.690 56.690 61.488 -4.798 25178 1225 1 10 . 1 1 22 22 PHE N N 22 120.800 120.800 120.763 0.037 25178 1226 1 10 . 1 1 22 22 PHE C C 22 178.000 178.000 177.629 0.371 25178 1227 1 10 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.106 -2.226 25178 1228 1 10 . 1 1 23 23 LEU N N 23 116.700 116.700 119.353 -2.653 25178 1229 1 10 . 1 1 23 23 LEU C C 23 174.100 174.100 178.893 -4.793 25178 1230 1 10 . 1 1 23 23 LEU CA C 23 54.820 54.820 58.294 -3.474 25178 1231 1 10 . 1 1 24 24 VAL N N 24 129.400 129.400 120.781 8.619 25178 1232 1 10 . 1 1 24 24 VAL C C 24 175.900 175.900 178.703 -2.803 25178 1233 1 10 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.652 -4.692 25178 1234 1 10 . 1 1 25 25 PHE N N 25 120.700 120.700 121.600 -0.900 25178 1235 1 10 . 1 1 25 25 PHE C C 25 173.400 173.400 177.247 -3.847 25178 1236 1 10 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.069 -7.219 25178 1237 1 10 . 1 1 26 26 PHE N N 26 122.600 122.600 119.913 2.687 25178 1238 1 10 . 1 1 26 26 PHE C C 26 172.700 172.700 177.045 -4.345 25178 1239 1 10 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.434 -3.864 25178 1240 1 10 . 1 1 27 27 SER N N 27 119.500 119.500 114.886 4.614 25178 1241 1 10 . 1 1 27 27 SER C C 27 172.900 172.900 177.133 -4.233 25178 1242 1 10 . 1 1 27 27 SER CA C 27 57.820 57.820 61.114 -3.294 25178 1243 1 10 . 1 1 28 28 ALA N N 28 121.900 121.900 124.058 -2.158 25178 1244 1 10 . 1 1 28 28 ALA C C 28 177.700 177.700 179.218 -1.518 25178 1245 1 10 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.241 -4.331 25178 1246 1 10 . 1 1 29 29 ALA N N 29 126.800 126.800 121.017 5.783 25178 1247 1 10 . 1 1 29 29 ALA C C 29 174.900 174.900 178.531 -3.631 25178 1248 1 10 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.532 -2.362 25178 1249 1 10 . 1 1 30 30 TRP N N 30 126.900 126.900 117.807 9.093 25178 1250 1 10 . 1 1 30 30 TRP C C 30 174.200 174.200 178.512 -4.312 25178 1251 1 10 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.874 -4.664 25178 1252 1 10 . 1 1 31 31 TYR N N 31 122.100 122.100 117.262 4.838 25178 1253 1 10 . 1 1 31 31 TYR C C 31 176.900 176.900 177.367 -0.467 25178 1254 1 10 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.298 -7.508 25178 1255 1 10 . 1 1 32 32 ILE N N 32 125.700 125.700 117.776 7.924 25178 1256 1 10 . 1 1 32 32 ILE C C 32 175.000 175.000 177.665 -2.665 25178 1257 1 10 . 1 1 32 32 ILE CA C 32 60.740 60.740 63.344 -2.604 25178 1258 1 10 . 1 1 33 33 LYS N N 33 123.300 123.300 119.073 4.227 25178 1259 1 10 . 1 1 33 33 LYS C C 33 173.900 173.900 177.918 -4.018 25178 1260 1 10 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.880 0.060 25178 1261 1 10 . 1 1 35 35 ARG N N 35 131.800 131.800 120.798 11.002 25178 1262 1 10 . 1 1 35 35 ARG C C 35 173.500 173.500 174.679 -1.179 25178 1263 1 10 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.646 2.304 25178 1264 1 10 . 1 1 36 36 LEU N N 36 125.700 125.700 124.664 1.036 25178 1265 1 10 . 1 1 36 36 LEU C C 36 175.400 175.400 176.434 -1.034 25178 1266 1 10 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.578 1.632 25178 1267 1 10 . 1 1 37 37 ALA N N 37 123.600 123.600 127.967 -4.367 25178 1268 1 10 . 1 1 37 37 ALA C C 37 174.300 174.300 175.747 -1.447 25178 1269 1 10 . 1 1 37 37 ALA CA C 37 56.250 56.250 51.265 4.985 25178 1270 1 10 . 1 1 38 38 PRO C C 38 174.700 174.700 178.590 -3.890 25178 1271 1 10 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.131 -4.481 25178 1272 1 10 . 1 1 39 39 GLY N N 39 106.200 106.200 107.357 -1.157 25178 1273 1 10 . 1 1 39 39 GLY C C 39 173.500 173.500 176.113 -2.613 25178 1274 1 10 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.858 3.292 25178 1275 1 10 . 1 1 41 41 ALA N N 41 127.600 127.600 122.059 5.541 25178 1276 1 10 . 1 1 41 41 ALA C C 41 174.800 174.800 179.740 -4.940 25178 1277 1 10 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.854 -4.154 25178 1278 1 10 . 1 1 42 42 TYR N N 42 122.400 122.400 118.885 3.515 25178 1279 1 10 . 1 1 42 42 TYR C C 42 175.300 175.300 178.155 -2.855 25178 1280 1 10 . 1 1 42 42 TYR CA C 42 55.860 55.860 62.061 -6.201 25178 1281 1 10 . 1 1 43 43 ALA N N 43 129.400 129.400 122.937 6.463 25178 1282 1 10 . 1 1 43 43 ALA C C 43 175.000 175.000 179.548 -4.548 25178 1283 1 10 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.179 -5.089 25178 1284 1 10 . 1 1 44 44 PHE N N 44 123.400 123.400 119.357 4.043 25178 1285 1 10 . 1 1 44 44 PHE C C 44 172.600 172.600 176.989 -4.389 25178 1286 1 10 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.413 -8.313 25178 1287 1 10 . 1 1 45 45 TYR N N 45 119.800 119.800 120.001 -0.201 25178 1288 1 10 . 1 1 45 45 TYR C C 45 176.100 176.100 177.716 -1.616 25178 1289 1 10 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.129 -7.019 25178 1290 1 10 . 1 1 47 47 VAL N N 47 130.500 130.500 120.665 9.835 25178 1291 1 10 . 1 1 47 47 VAL C C 47 171.200 171.200 176.619 -5.419 25178 1292 1 10 . 1 1 47 47 VAL CA C 47 62.030 62.030 64.793 -2.763 25178 1293 1 10 . 1 1 48 48 TRP N N 48 125.200 125.200 120.603 4.597 25178 1294 1 10 . 1 1 49 49 PRO C C 49 173.600 173.600 178.160 -4.560 25178 1295 1 10 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.454 -4.764 25178 1296 1 10 . 1 1 50 50 LEU N N 50 126.800 126.800 120.023 6.777 25178 1297 1 10 . 1 1 50 50 LEU C C 50 174.100 174.100 178.562 -4.462 25178 1298 1 10 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.527 -4.447 25178 1299 1 10 . 1 1 51 51 LEU N N 51 126.500 126.500 118.961 7.539 25178 1300 1 10 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.954 -4.244 25178 1301 1 10 . 1 1 52 52 LEU N N 52 126.900 126.900 118.876 8.024 25178 1302 1 10 . 1 1 52 52 LEU CA C 52 54.240 54.240 57.881 -3.641 25178 1303 1 10 . 1 1 53 53 LEU N N 53 125.500 125.500 118.652 6.848 25178 1304 1 10 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.570 -3.680 25178 1305 1 10 . 1 1 54 54 LEU N N 54 126.200 126.200 119.127 7.073 25178 1306 1 10 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.796 -3.736 25178 1307 1 10 . 1 1 55 55 LEU N N 55 126.200 126.200 117.370 8.830 25178 1308 1 10 . 1 1 55 55 LEU CA C 55 53.750 53.750 57.096 -3.346 25178 1309 1 10 . 1 1 57 57 LEU N N 57 125.800 125.800 121.402 4.398 25178 1310 1 10 . 1 1 57 57 LEU CA C 57 53.780 53.780 53.449 0.331 25178 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 45 6.055 -4.486 4.112 25178 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25178 3 1 1 "Average Difference" C 40 3.758 3.397 1.628 25178 4 1 1 "Average Difference" CA 46 4.315 3.150 2.981 25178 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25178 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25178 7 1 2 "Average Difference" N 45 6.059 -4.379 4.235 25178 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25178 9 1 2 "Average Difference" C 40 3.627 3.231 1.669 25178 10 1 2 "Average Difference" CA 46 4.281 3.257 2.808 25178 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25178 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25178 13 1 3 "Average Difference" N 45 5.742 -4.122 4.042 25178 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25178 15 1 3 "Average Difference" C 40 3.634 3.262 1.622 25178 16 1 3 "Average Difference" CA 46 4.267 3.221 2.829 25178 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25178 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25178 19 1 4 "Average Difference" N 45 6.170 -4.550 4.215 25178 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25178 21 1 4 "Average Difference" C 40 3.737 3.347 1.683 25178 22 1 4 "Average Difference" CA 46 4.329 3.250 2.890 25178 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25178 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25178 25 1 5 "Average Difference" N 45 5.958 -4.373 4.092 25178 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25178 27 1 5 "Average Difference" C 40 3.635 3.224 1.701 25178 28 1 5 "Average Difference" CA 46 4.376 3.167 3.053 25178 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25178 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25178 31 1 6 "Average Difference" N 45 5.843 -4.503 3.767 25178 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25178 33 1 6 "Average Difference" C 40 3.744 3.343 1.709 25178 34 1 6 "Average Difference" CA 46 4.275 3.278 2.775 25178 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25178 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25178 37 1 7 "Average Difference" N 45 5.681 -4.224 3.841 25178 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25178 39 1 7 "Average Difference" C 40 3.649 3.272 1.635 25178 40 1 7 "Average Difference" CA 46 4.197 3.120 2.838 25178 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25178 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25178 43 1 8 "Average Difference" N 45 6.086 -4.750 3.849 25178 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25178 45 1 8 "Average Difference" C 40 3.819 3.446 1.666 25178 46 1 8 "Average Difference" CA 46 4.273 3.204 2.858 25178 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25178 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25178 49 1 9 "Average Difference" N 45 5.972 -4.378 4.107 25178 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25178 51 1 9 "Average Difference" C 40 3.660 3.305 1.593 25178 52 1 9 "Average Difference" CA 46 4.313 3.163 2.965 25178 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25178 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25178 55 1 10 "Average Difference" N 45 5.904 -4.552 3.802 25178 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25178 57 1 10 "Average Difference" C 40 3.752 3.399 1.608 25178 58 1 10 "Average Difference" CA 46 4.239 3.202 2.809 25178 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25178 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25178 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 25178 _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 6 6 VAL N N 6 126.400 126.400 121.488 4.912 25178 2 1 . 1 1 6 6 VAL C C 6 173.900 173.900 177.447 -3.547 25178 3 1 . 1 1 6 6 VAL CA C 6 61.030 61.030 64.901 -3.871 25178 4 1 . 1 1 7 7 VAL N N 7 126.800 126.800 119.331 7.469 25178 5 1 . 1 1 7 7 VAL C C 7 173.400 173.400 177.839 -4.439 25178 6 1 . 1 1 7 7 VAL CA C 7 60.890 60.890 65.667 -4.777 25178 7 1 . 1 1 8 8 LEU N N 8 130.000 130.000 118.736 11.264 25178 8 1 . 1 1 8 8 LEU C C 8 174.900 174.900 178.593 -3.693 25178 9 1 . 1 1 8 8 LEU CA C 8 55.570 55.570 57.304 -1.734 25178 10 1 . 1 1 9 9 ASN N N 9 128.300 128.300 117.414 10.886 25178 11 1 . 1 1 9 9 ASN C C 9 173.600 173.600 177.035 -3.435 25178 12 1 . 1 1 9 9 ASN CA C 9 53.070 53.070 55.674 -2.604 25178 13 1 . 1 1 10 10 ALA N N 10 129.900 129.900 121.929 7.971 25178 14 1 . 1 1 10 10 ALA C C 10 173.700 173.700 179.128 -5.428 25178 15 1 . 1 1 10 10 ALA CA C 10 52.830 52.830 54.979 -2.149 25178 16 1 . 1 1 11 11 ALA N N 11 122.400 122.400 120.624 1.775 25178 17 1 . 1 1 11 11 ALA C C 11 175.000 175.000 179.676 -4.676 25178 18 1 . 1 1 11 11 ALA CA C 11 50.280 50.280 55.037 -4.757 25178 19 1 . 1 1 12 12 SER N N 12 120.400 120.400 114.257 6.143 25178 20 1 . 1 1 12 12 SER C C 12 174.600 174.600 176.679 -2.079 25178 21 1 . 1 1 12 12 SER CA C 12 57.780 57.780 61.726 -3.946 25178 22 1 . 1 1 13 13 VAL N N 13 126.200 126.200 121.352 4.848 25178 23 1 . 1 1 13 13 VAL C C 13 174.800 174.800 177.848 -3.048 25178 24 1 . 1 1 13 13 VAL CA C 13 60.690 60.690 65.773 -5.083 25178 25 1 . 1 1 14 14 ALA N N 14 125.500 125.500 120.979 4.521 25178 26 1 . 1 1 14 14 ALA C C 14 171.900 171.900 179.507 -7.607 25178 27 1 . 1 1 14 14 ALA CA C 14 49.920 49.920 54.307 -4.387 25178 28 1 . 1 1 15 15 GLY N N 15 107.800 107.800 106.799 1.001 25178 29 1 . 1 1 15 15 GLY C C 15 174.900 174.900 175.519 -0.619 25178 30 1 . 1 1 15 15 GLY CA C 15 50.150 50.150 46.783 3.367 25178 31 1 . 1 1 16 16 ALA N N 16 124.800 124.800 124.285 0.515 25178 32 1 . 1 1 16 16 ALA C C 16 176.700 176.700 178.941 -2.241 25178 33 1 . 1 1 16 16 ALA CA C 16 50.510 50.510 54.759 -4.249 25178 34 1 . 1 1 17 17 HIS N N 17 120.700 120.700 118.637 2.063 25178 35 1 . 1 1 17 17 HIS C C 17 174.600 174.600 177.671 -3.071 25178 36 1 . 1 1 17 17 HIS CA C 17 57.940 57.940 59.911 -1.971 25178 37 1 . 1 1 19 19 ILE N N 19 124.200 124.200 122.339 1.861 25178 38 1 . 1 1 19 19 ILE C C 19 174.000 174.000 177.845 -3.845 25178 39 1 . 1 1 19 19 ILE CA C 19 60.010 60.010 63.626 -3.616 25178 40 1 . 1 1 20 20 LEU N N 20 124.100 124.100 120.540 3.560 25178 41 1 . 1 1 20 20 LEU C C 20 175.900 175.900 178.909 -3.009 25178 42 1 . 1 1 20 20 LEU CA C 20 55.050 55.050 58.041 -2.991 25178 43 1 . 1 1 21 21 SER N N 21 118.800 118.800 115.560 3.240 25178 44 1 . 1 1 21 21 SER C C 21 172.500 172.500 176.730 -4.230 25178 45 1 . 1 1 21 21 SER CA C 21 56.690 56.690 61.571 -4.881 25178 46 1 . 1 1 22 22 PHE N N 22 120.800 120.800 122.688 -1.888 25178 47 1 . 1 1 22 22 PHE C C 22 178.000 178.000 177.195 0.805 25178 48 1 . 1 1 22 22 PHE CA C 22 58.880 58.880 61.633 -2.753 25178 49 1 . 1 1 23 23 LEU N N 23 116.700 116.700 119.787 -3.087 25178 50 1 . 1 1 23 23 LEU C C 23 174.100 174.100 178.559 -4.459 25178 51 1 . 1 1 23 23 LEU CA C 23 54.820 54.820 58.085 -3.265 25178 52 1 . 1 1 24 24 VAL N N 24 129.400 129.400 119.811 9.589 25178 53 1 . 1 1 24 24 VAL C C 24 175.900 175.900 178.127 -2.227 25178 54 1 . 1 1 24 24 VAL CA C 24 61.960 61.960 66.831 -4.871 25178 55 1 . 1 1 25 25 PHE N N 25 120.700 120.700 121.188 -0.488 25178 56 1 . 1 1 25 25 PHE C C 25 173.400 173.400 177.144 -3.744 25178 57 1 . 1 1 25 25 PHE CA C 25 54.850 54.850 62.045 -7.195 25178 58 1 . 1 1 26 26 PHE N N 26 122.600 122.600 119.794 2.807 25178 59 1 . 1 1 26 26 PHE C C 26 172.700 172.700 177.190 -4.490 25178 60 1 . 1 1 26 26 PHE CA C 26 57.570 57.570 61.534 -3.964 25178 61 1 . 1 1 27 27 SER N N 27 119.500 119.500 114.913 4.587 25178 62 1 . 1 1 27 27 SER C C 27 172.900 172.900 176.927 -4.027 25178 63 1 . 1 1 27 27 SER CA C 27 57.820 57.820 61.504 -3.684 25178 64 1 . 1 1 28 28 ALA N N 28 121.900 121.900 123.476 -1.576 25178 65 1 . 1 1 28 28 ALA C C 28 177.700 177.700 179.024 -1.324 25178 66 1 . 1 1 28 28 ALA CA C 28 49.910 49.910 54.366 -4.456 25178 67 1 . 1 1 29 29 ALA N N 29 126.800 126.800 121.698 5.102 25178 68 1 . 1 1 29 29 ALA C C 29 174.900 174.900 178.882 -3.982 25178 69 1 . 1 1 29 29 ALA CA C 29 52.170 52.170 54.689 -2.519 25178 70 1 . 1 1 30 30 TRP N N 30 126.900 126.900 117.950 8.950 25178 71 1 . 1 1 30 30 TRP C C 30 174.200 174.200 178.234 -4.034 25178 72 1 . 1 1 30 30 TRP CA C 30 56.210 56.210 60.769 -4.559 25178 73 1 . 1 1 31 31 TYR N N 31 122.100 122.100 119.381 2.719 25178 74 1 . 1 1 31 31 TYR C C 31 176.900 176.900 177.313 -0.413 25178 75 1 . 1 1 31 31 TYR CA C 31 53.790 53.790 61.370 -7.580 25178 76 1 . 1 1 32 32 ILE N N 32 125.700 125.700 117.954 7.746 25178 77 1 . 1 1 32 32 ILE C C 32 175.000 175.000 178.049 -3.049 25178 78 1 . 1 1 32 32 ILE CA C 32 60.740 60.740 63.995 -3.255 25178 79 1 . 1 1 33 33 LYS N N 33 123.300 123.300 118.974 4.327 25178 80 1 . 1 1 33 33 LYS C C 33 173.900 173.900 177.668 -3.768 25178 81 1 . 1 1 33 33 LYS CA C 33 57.940 57.940 57.648 0.292 25178 82 1 . 1 1 35 35 ARG N N 35 131.800 131.800 121.430 10.370 25178 83 1 . 1 1 35 35 ARG C C 35 173.500 173.500 175.029 -1.529 25178 84 1 . 1 1 35 35 ARG CA C 35 57.950 57.950 55.397 2.553 25178 85 1 . 1 1 36 36 LEU N N 36 125.700 125.700 125.522 0.179 25178 86 1 . 1 1 36 36 LEU C C 36 175.400 175.400 176.136 -0.736 25178 87 1 . 1 1 36 36 LEU CA C 36 56.210 56.210 54.631 1.579 25178 88 1 . 1 1 37 37 ALA N N 37 123.600 123.600 128.213 -4.613 25178 89 1 . 1 1 37 37 ALA C C 37 174.300 174.300 175.980 -1.680 25178 90 1 . 1 1 37 37 ALA CA C 37 56.250 56.250 50.532 5.718 25178 91 1 . 1 1 38 38 PRO C C 38 174.700 174.700 178.548 -3.848 25178 92 1 . 1 1 38 38 PRO CA C 38 60.650 60.650 65.043 -4.393 25178 93 1 . 1 1 39 39 GLY N N 39 106.200 106.200 107.217 -1.017 25178 94 1 . 1 1 39 39 GLY C C 39 173.500 173.500 175.913 -2.413 25178 95 1 . 1 1 39 39 GLY CA C 39 50.150 50.150 46.799 3.351 25178 96 1 . 1 1 41 41 ALA N N 41 127.600 127.600 121.888 5.712 25178 97 1 . 1 1 41 41 ALA C C 41 174.800 174.800 179.606 -4.806 25178 98 1 . 1 1 41 41 ALA CA C 41 50.700 50.700 54.861 -4.161 25178 99 1 . 1 1 42 42 TYR N N 42 122.400 122.400 119.076 3.324 25178 100 1 . 1 1 42 42 TYR C C 42 175.300 175.300 177.891 -2.591 25178 101 1 . 1 1 42 42 TYR CA C 42 55.860 55.860 61.807 -5.947 25178 102 1 . 1 1 43 43 ALA N N 43 129.400 129.400 122.908 6.492 25178 103 1 . 1 1 43 43 ALA C C 43 175.000 175.000 179.486 -4.486 25178 104 1 . 1 1 43 43 ALA CA C 43 50.090 50.090 55.079 -4.989 25178 105 1 . 1 1 44 44 PHE N N 44 123.400 123.400 117.903 5.497 25178 106 1 . 1 1 44 44 PHE C C 44 172.600 172.600 177.359 -4.759 25178 107 1 . 1 1 44 44 PHE CA C 44 53.100 53.100 61.592 -8.492 25178 108 1 . 1 1 45 45 TYR N N 45 119.800 119.800 120.548 -0.749 25178 109 1 . 1 1 45 45 TYR C C 45 176.100 176.100 177.763 -1.663 25178 110 1 . 1 1 45 45 TYR CA C 45 54.110 54.110 61.012 -6.902 25178 111 1 . 1 1 47 47 VAL N N 47 130.500 130.500 119.912 10.588 25178 112 1 . 1 1 47 47 VAL C C 47 171.200 171.200 176.625 -5.425 25178 113 1 . 1 1 47 47 VAL CA C 47 62.030 62.030 63.546 -1.516 25178 114 1 . 1 1 48 48 TRP N N 48 125.200 125.200 121.611 3.589 25178 115 1 . 1 1 49 49 PRO C C 49 173.600 173.600 178.251 -4.650 25178 116 1 . 1 1 49 49 PRO CA C 49 60.690 60.690 65.567 -4.877 25178 117 1 . 1 1 50 50 LEU N N 50 126.800 126.800 118.617 8.183 25178 118 1 . 1 1 50 50 LEU C C 50 174.100 174.100 178.743 -4.643 25178 119 1 . 1 1 50 50 LEU CA C 50 53.080 53.080 57.564 -4.484 25178 120 1 . 1 1 51 51 LEU N N 51 126.500 126.500 119.591 6.909 25178 121 1 . 1 1 51 51 LEU CA C 51 53.710 53.710 57.773 -4.063 25178 122 1 . 1 1 52 52 LEU N N 52 126.900 126.900 119.332 7.568 25178 123 1 . 1 1 52 52 LEU CA C 52 54.240 54.240 58.018 -3.778 25178 124 1 . 1 1 53 53 LEU N N 53 125.500 125.500 118.712 6.788 25178 125 1 . 1 1 53 53 LEU CA C 53 53.890 53.890 57.789 -3.899 25178 126 1 . 1 1 54 54 LEU N N 54 126.200 126.200 120.186 6.014 25178 127 1 . 1 1 54 54 LEU CA C 54 54.060 54.060 57.972 -3.912 25178 128 1 . 1 1 55 55 LEU N N 55 126.200 126.200 118.626 7.574 25178 129 1 . 1 1 55 55 LEU CA C 55 53.750 53.750 56.968 -3.218 25178 130 1 . 1 1 57 57 LEU N N 57 125.800 125.800 119.602 6.198 25178 131 1 . 1 1 57 57 LEU CA C 57 53.780 53.780 54.153 -0.373 25178 stop_ save_