data_25642 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25642 _Entry.PDB_ID 2N3D 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 25642 _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 38 38 VAL C C 38 175.900 175.900 174.412 1.488 25642 2 1 1 . 1 1 39 39 ALA N N 39 130.020 130.020 124.059 5.961 25642 3 1 1 . 1 1 39 39 ALA C C 39 177.440 177.440 177.466 -0.026 25642 4 1 1 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.477 0.903 25642 5 1 1 . 1 1 39 39 ALA CB C 39 19.820 19.820 18.866 0.954 25642 6 1 1 . 1 1 39 39 ALA H H 39 8.200 8.200 7.902 0.298 25642 7 1 1 . 1 1 40 40 SER N N 40 115.080 115.080 116.314 -1.234 25642 8 1 1 . 1 1 40 40 SER C C 40 173.460 173.460 173.680 -0.220 25642 9 1 1 . 1 1 40 40 SER CA C 40 60.040 60.040 58.709 1.331 25642 10 1 1 . 1 1 40 40 SER CB C 40 66.420 66.420 64.074 2.346 25642 11 1 1 . 1 1 40 40 SER H H 40 7.970 7.970 8.374 -0.404 25642 12 1 1 . 1 1 41 41 LEU N N 41 127.860 127.860 123.083 4.777 25642 13 1 1 . 1 1 41 41 LEU C C 41 174.130 174.130 175.497 -1.367 25642 14 1 1 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.175 0.485 25642 15 1 1 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.470 1.830 25642 16 1 1 . 1 1 41 41 LEU H H 41 9.490 9.490 8.378 1.112 25642 17 1 1 . 1 1 42 42 LEU N N 42 126.730 126.730 128.077 -1.347 25642 18 1 1 . 1 1 42 42 LEU C C 42 175.120 175.120 176.131 -1.011 25642 19 1 1 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.543 -0.833 25642 20 1 1 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.589 -1.129 25642 21 1 1 . 1 1 42 42 LEU H H 42 8.640 8.640 9.110 -0.470 25642 22 1 1 . 1 1 43 43 SER N N 43 123.530 123.530 120.231 3.299 25642 23 1 1 . 1 1 43 43 SER C C 43 172.810 172.810 174.989 -2.179 25642 24 1 1 . 1 1 43 43 SER CA C 43 58.990 58.990 60.179 -1.189 25642 25 1 1 . 1 1 43 43 SER CB C 43 64.200 64.200 64.034 0.166 25642 26 1 1 . 1 1 43 43 SER H H 43 9.060 9.060 8.739 0.321 25642 27 1 1 . 1 1 44 44 ALA N N 44 119.250 119.250 121.292 -2.042 25642 28 1 1 . 1 1 44 44 ALA C C 44 177.720 177.720 177.831 -0.111 25642 29 1 1 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.977 0.023 25642 30 1 1 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.069 -0.339 25642 31 1 1 . 1 1 44 44 ALA H H 44 8.490 8.490 8.546 -0.056 25642 32 1 1 . 1 1 45 45 ASP N N 45 114.450 114.450 117.702 -3.252 25642 33 1 1 . 1 1 45 45 ASP C C 45 175.800 175.800 175.020 0.780 25642 34 1 1 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.374 -0.394 25642 35 1 1 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.936 1.744 25642 36 1 1 . 1 1 45 45 ASP H H 45 8.080 8.080 8.443 -0.363 25642 37 1 1 . 1 1 46 46 LEU N N 46 122.200 122.200 118.925 3.275 25642 38 1 1 . 1 1 46 46 LEU C C 46 176.290 176.290 175.437 0.853 25642 39 1 1 . 1 1 46 46 LEU CA C 46 54.620 54.620 53.848 0.772 25642 40 1 1 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.124 0.836 25642 41 1 1 . 1 1 46 46 LEU H H 46 7.860 7.860 7.165 0.695 25642 42 1 1 . 1 1 47 47 THR N N 47 119.850 119.850 116.241 3.609 25642 43 1 1 . 1 1 47 47 THR C C 47 174.140 174.140 173.862 0.278 25642 44 1 1 . 1 1 47 47 THR CA C 47 61.650 61.650 60.176 1.474 25642 45 1 1 . 1 1 47 47 THR CB C 47 71.210 71.210 70.492 0.718 25642 46 1 1 . 1 1 47 47 THR H H 47 9.000 9.000 8.260 0.740 25642 47 1 1 . 1 1 48 48 ILE N N 48 128.090 128.090 126.613 1.477 25642 48 1 1 . 1 1 48 48 ILE C C 48 174.810 174.810 175.346 -0.536 25642 49 1 1 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.356 -0.206 25642 50 1 1 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.358 1.752 25642 51 1 1 . 1 1 48 48 ILE H H 48 9.330 9.330 8.276 1.054 25642 52 1 1 . 1 1 49 49 GLU N N 49 129.080 129.080 123.551 5.529 25642 53 1 1 . 1 1 49 49 GLU C C 49 175.160 175.160 177.101 -1.941 25642 54 1 1 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.259 -0.759 25642 55 1 1 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.566 -3.206 25642 56 1 1 . 1 1 49 49 GLU H H 49 8.830 8.830 8.364 0.466 25642 57 1 1 . 1 1 50 50 GLY N N 50 114.250 114.250 114.244 0.006 25642 58 1 1 . 1 1 50 50 GLY C C 50 170.510 170.510 173.462 -2.952 25642 59 1 1 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.892 -0.831 25642 60 1 1 . 1 1 50 50 GLY H H 50 8.320 8.320 8.370 -0.050 25642 61 1 1 . 1 1 51 51 GLY N N 51 102.740 102.740 109.267 -6.527 25642 62 1 1 . 1 1 51 51 GLY C C 51 174.230 174.230 173.014 1.216 25642 63 1 1 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.315 -0.435 25642 64 1 1 . 1 1 51 51 GLY H H 51 8.000 8.000 7.710 0.290 25642 65 1 1 . 1 1 52 52 VAL N N 52 122.770 122.770 117.920 4.850 25642 66 1 1 . 1 1 52 52 VAL C C 52 175.290 175.290 174.962 0.328 25642 67 1 1 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.394 0.776 25642 68 1 1 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.735 0.215 25642 69 1 1 . 1 1 52 52 VAL H H 52 8.550 8.550 8.165 0.385 25642 70 1 1 . 1 1 53 53 THR N N 53 121.860 121.860 114.307 7.553 25642 71 1 1 . 1 1 53 53 THR C C 53 173.790 173.790 174.534 -0.744 25642 72 1 1 . 1 1 53 53 THR CA C 53 60.580 60.580 60.045 0.535 25642 73 1 1 . 1 1 53 53 THR CB C 53 72.310 72.310 70.681 1.629 25642 74 1 1 . 1 1 53 53 THR H H 53 9.150 9.150 8.241 0.909 25642 75 1 1 . 1 1 54 54 GLY N N 54 112.960 112.960 108.795 4.165 25642 76 1 1 . 1 1 54 54 GLY C C 54 172.530 172.530 172.195 0.335 25642 77 1 1 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.798 0.072 25642 78 1 1 . 1 1 54 54 GLY H H 54 9.080 9.080 8.074 1.006 25642 79 1 1 . 1 1 55 55 GLU N N 55 118.200 118.200 119.531 -1.331 25642 80 1 1 . 1 1 55 55 GLU C C 55 177.350 177.350 176.611 0.739 25642 81 1 1 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.724 0.376 25642 82 1 1 . 1 1 55 55 GLU CB C 55 31.140 31.140 32.926 -1.786 25642 83 1 1 . 1 1 55 55 GLU H H 55 8.790 8.790 8.565 0.225 25642 84 1 1 . 1 1 56 56 GLY N N 56 109.740 109.740 111.934 -2.194 25642 85 1 1 . 1 1 56 56 GLY C C 56 173.400 173.400 173.135 0.265 25642 86 1 1 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.616 0.074 25642 87 1 1 . 1 1 56 56 GLY H H 56 8.580 8.580 8.447 0.133 25642 88 1 1 . 1 1 57 57 GLU N N 57 122.180 122.180 121.799 0.381 25642 89 1 1 . 1 1 57 57 GLU C C 57 175.970 175.970 174.652 1.318 25642 90 1 1 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.587 -0.487 25642 91 1 1 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.330 0.440 25642 92 1 1 . 1 1 57 57 GLU H H 57 8.810 8.810 8.198 0.612 25642 93 1 1 . 1 1 58 58 LEU N N 58 126.040 126.040 127.725 -1.685 25642 94 1 1 . 1 1 58 58 LEU C C 58 173.100 173.100 174.757 -1.657 25642 95 1 1 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.139 0.541 25642 96 1 1 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.404 2.036 25642 97 1 1 . 1 1 58 58 LEU H H 58 8.720 8.720 8.215 0.505 25642 98 1 1 . 1 1 59 59 GLN N N 59 127.940 127.940 128.765 -0.825 25642 99 1 1 . 1 1 59 59 GLN C C 59 174.540 174.540 174.252 0.288 25642 100 1 1 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.854 -1.014 25642 101 1 1 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.605 0.185 25642 102 1 1 . 1 1 59 59 GLN H H 59 8.400 8.400 8.465 -0.065 25642 103 1 1 . 1 1 60 60 ILE N N 60 124.610 124.610 127.412 -2.802 25642 104 1 1 . 1 1 60 60 ILE C C 60 174.340 174.340 173.057 1.283 25642 105 1 1 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.951 2.379 25642 106 1 1 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.968 -1.218 25642 107 1 1 . 1 1 60 60 ILE H H 60 9.100 9.100 8.541 0.559 25642 108 1 1 . 1 1 61 61 ASP N N 61 127.350 127.350 126.700 0.650 25642 109 1 1 . 1 1 61 61 ASP C C 61 176.210 176.210 174.838 1.372 25642 110 1 1 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.938 0.962 25642 111 1 1 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.898 1.583 25642 112 1 1 . 1 1 61 61 ASP H H 61 9.070 9.070 8.376 0.694 25642 113 1 1 . 1 1 62 62 GLY N N 62 110.340 110.340 107.406 2.934 25642 114 1 1 . 1 1 62 62 GLY C C 62 170.870 170.870 172.682 -1.812 25642 115 1 1 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.078 1.412 25642 116 1 1 . 1 1 62 62 GLY H H 62 6.590 6.590 7.657 -1.067 25642 117 1 1 . 1 1 63 63 VAL N N 63 122.570 122.570 116.243 6.327 25642 118 1 1 . 1 1 63 63 VAL C C 63 176.030 176.030 174.686 1.344 25642 119 1 1 . 1 1 63 63 VAL CA C 63 61.010 61.010 59.491 1.519 25642 120 1 1 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.552 1.298 25642 121 1 1 . 1 1 63 63 VAL H H 63 8.070 8.070 7.707 0.363 25642 122 1 1 . 1 1 64 64 VAL N N 64 125.470 125.470 126.614 -1.144 25642 123 1 1 . 1 1 64 64 VAL C C 64 174.410 174.410 174.120 0.290 25642 124 1 1 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.836 -0.616 25642 125 1 1 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.898 2.792 25642 126 1 1 . 1 1 64 64 VAL H H 64 9.010 9.010 8.019 0.991 25642 127 1 1 . 1 1 65 65 LYS N N 65 129.120 129.120 128.967 0.153 25642 128 1 1 . 1 1 65 65 LYS C C 65 175.120 175.120 175.618 -0.498 25642 129 1 1 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.400 -0.090 25642 130 1 1 . 1 1 65 65 LYS CB C 65 32.440 32.440 33.600 -1.160 25642 131 1 1 . 1 1 65 65 LYS H H 65 9.150 9.150 8.146 1.004 25642 132 1 1 . 1 1 66 66 GLY N N 66 115.020 115.020 113.852 1.168 25642 133 1 1 . 1 1 66 66 GLY C C 66 170.210 170.210 172.214 -2.004 25642 134 1 1 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.420 -0.940 25642 135 1 1 . 1 1 66 66 GLY H H 66 8.300 8.300 7.825 0.475 25642 136 1 1 . 1 1 67 67 ASP N N 67 115.420 115.420 122.262 -6.842 25642 137 1 1 . 1 1 67 67 ASP C C 67 176.920 176.920 175.833 1.087 25642 138 1 1 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.959 0.371 25642 139 1 1 . 1 1 67 67 ASP CB C 67 41.950 41.950 44.400 -2.450 25642 140 1 1 . 1 1 67 67 ASP H H 67 7.690 7.690 8.527 -0.837 25642 141 1 1 . 1 1 68 68 VAL N N 68 122.440 122.440 119.579 2.861 25642 142 1 1 . 1 1 68 68 VAL C C 68 174.450 174.450 174.363 0.087 25642 143 1 1 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.633 -0.663 25642 144 1 1 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.538 -0.297 25642 145 1 1 . 1 1 68 68 VAL H H 68 8.930 8.930 8.075 0.855 25642 146 1 1 . 1 1 69 69 ARG N N 69 130.610 130.610 126.693 3.917 25642 147 1 1 . 1 1 69 69 ARG C C 69 175.150 175.150 174.161 0.989 25642 148 1 1 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.773 0.047 25642 149 1 1 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.202 -1.202 25642 150 1 1 . 1 1 69 69 ARG H H 69 9.110 9.110 8.538 0.572 25642 151 1 1 . 1 1 70 70 VAL N N 70 114.530 114.530 122.112 -7.582 25642 152 1 1 . 1 1 70 70 VAL C C 70 175.440 175.440 174.344 1.096 25642 153 1 1 . 1 1 70 70 VAL CA C 70 58.400 58.400 59.975 -1.575 25642 154 1 1 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.688 -0.318 25642 155 1 1 . 1 1 70 70 VAL H H 70 8.290 8.290 7.673 0.617 25642 156 1 1 . 1 1 71 71 GLY N N 71 108.150 108.150 109.154 -1.004 25642 157 1 1 . 1 1 71 71 GLY C C 71 174.710 174.710 173.660 1.050 25642 158 1 1 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.324 1.576 25642 159 1 1 . 1 1 71 71 GLY H H 71 8.110 8.110 8.386 -0.276 25642 160 1 1 . 1 1 72 72 ARG N N 72 120.660 120.660 120.321 0.339 25642 161 1 1 . 1 1 72 72 ARG C C 72 173.620 173.620 174.539 -0.919 25642 162 1 1 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.735 0.585 25642 163 1 1 . 1 1 72 72 ARG CB C 72 33.780 33.780 33.654 0.126 25642 164 1 1 . 1 1 72 72 ARG H H 72 7.690 7.690 8.126 -0.436 25642 165 1 1 . 1 1 73 73 LEU N N 73 125.710 125.710 125.728 -0.018 25642 166 1 1 . 1 1 73 73 LEU C C 73 175.230 175.230 174.664 0.566 25642 167 1 1 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.921 -1.371 25642 168 1 1 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.907 0.623 25642 169 1 1 . 1 1 73 73 LEU H H 73 8.570 8.570 8.335 0.235 25642 170 1 1 . 1 1 74 74 THR N N 74 123.150 123.150 123.414 -0.264 25642 171 1 1 . 1 1 74 74 THR C C 74 173.670 173.670 174.084 -0.414 25642 172 1 1 . 1 1 74 74 THR CA C 74 61.480 61.480 61.231 0.249 25642 173 1 1 . 1 1 74 74 THR CB C 74 70.710 70.710 69.696 1.014 25642 174 1 1 . 1 1 74 74 THR H H 74 8.860 8.860 8.606 0.254 25642 175 1 1 . 1 1 75 75 VAL N N 75 127.890 127.890 128.230 -0.340 25642 176 1 1 . 1 1 75 75 VAL C C 75 176.800 176.800 176.661 0.139 25642 177 1 1 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.748 -1.617 25642 178 1 1 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.671 2.169 25642 179 1 1 . 1 1 75 75 VAL H H 75 8.910 8.910 8.237 0.673 25642 180 1 1 . 1 1 76 76 GLY N N 76 116.590 116.590 116.083 0.507 25642 181 1 1 . 1 1 76 76 GLY C C 76 174.060 174.060 174.149 -0.089 25642 182 1 1 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.499 -0.269 25642 183 1 1 . 1 1 76 76 GLY H H 76 8.980 8.980 8.876 0.104 25642 184 1 1 . 1 1 77 77 GLU N N 77 121.140 121.140 118.433 2.707 25642 185 1 1 . 1 1 77 77 GLU C C 77 178.620 178.620 178.353 0.267 25642 186 1 1 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.110 2.390 25642 187 1 1 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.867 0.253 25642 188 1 1 . 1 1 77 77 GLU H H 77 9.260 9.260 8.481 0.779 25642 189 1 1 . 1 1 78 78 THR N N 78 105.330 105.330 113.887 -8.557 25642 190 1 1 . 1 1 78 78 THR C C 78 174.990 174.990 174.705 0.285 25642 191 1 1 . 1 1 78 78 THR CA C 78 62.040 62.040 64.402 -2.362 25642 192 1 1 . 1 1 78 78 THR CB C 78 69.880 69.880 68.358 1.522 25642 193 1 1 . 1 1 78 78 THR H H 78 8.010 8.010 7.976 0.034 25642 194 1 1 . 1 1 79 79 GLY N N 79 111.420 111.420 108.810 2.610 25642 195 1 1 . 1 1 79 79 GLY C C 79 174.270 174.270 174.409 -0.139 25642 196 1 1 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.992 -0.742 25642 197 1 1 . 1 1 79 79 GLY H H 79 8.240 8.240 8.206 0.034 25642 198 1 1 . 1 1 80 80 HIS N N 80 123.970 123.970 118.575 5.395 25642 199 1 1 . 1 1 80 80 HIS C C 80 173.800 173.800 174.021 -0.221 25642 200 1 1 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.137 0.723 25642 201 1 1 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.070 4.000 25642 202 1 1 . 1 1 80 80 HIS H H 80 8.860 8.860 7.527 1.333 25642 203 1 1 . 1 1 81 81 VAL N N 81 125.720 125.720 126.190 -0.470 25642 204 1 1 . 1 1 81 81 VAL C C 81 174.580 174.580 174.017 0.563 25642 205 1 1 . 1 1 81 81 VAL CA C 81 60.660 60.660 61.865 -1.205 25642 206 1 1 . 1 1 81 81 VAL CB C 81 34.860 34.860 33.419 1.441 25642 207 1 1 . 1 1 81 81 VAL H H 81 8.900 8.900 8.245 0.655 25642 208 1 1 . 1 1 82 82 GLU N N 82 129.500 129.500 126.736 2.764 25642 209 1 1 . 1 1 82 82 GLU C C 82 175.200 175.200 175.658 -0.458 25642 210 1 1 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.952 -1.052 25642 211 1 1 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.662 -1.792 25642 212 1 1 . 1 1 82 82 GLU H H 82 9.270 9.270 8.831 0.439 25642 213 1 1 . 1 1 83 83 GLY N N 83 114.070 114.070 111.510 2.560 25642 214 1 1 . 1 1 83 83 GLY C C 83 171.310 171.310 172.147 -0.837 25642 215 1 1 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.509 -0.559 25642 216 1 1 . 1 1 83 83 GLY H H 83 8.450 8.450 7.905 0.545 25642 217 1 1 . 1 1 84 84 SER N N 84 113.810 113.810 116.575 -2.765 25642 218 1 1 . 1 1 84 84 SER C C 84 173.140 173.140 173.237 -0.097 25642 219 1 1 . 1 1 84 84 SER CA C 84 57.720 57.720 57.859 -0.139 25642 220 1 1 . 1 1 84 84 SER CB C 84 64.950 64.950 64.983 -0.033 25642 221 1 1 . 1 1 84 84 SER H H 84 8.320 8.320 8.243 0.077 25642 222 1 1 . 1 1 85 85 VAL N N 85 121.060 121.060 126.259 -5.199 25642 223 1 1 . 1 1 85 85 VAL C C 85 174.960 174.960 173.207 1.753 25642 224 1 1 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.415 0.005 25642 225 1 1 . 1 1 85 85 VAL CB C 85 34.900 34.900 34.705 0.195 25642 226 1 1 . 1 1 85 85 VAL H H 85 8.730 8.730 8.038 0.692 25642 227 1 1 . 1 1 86 86 TYR N N 86 129.090 129.090 128.500 0.590 25642 228 1 1 . 1 1 86 86 TYR C C 86 174.420 174.420 174.451 -0.031 25642 229 1 1 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.159 0.301 25642 230 1 1 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.413 0.437 25642 231 1 1 . 1 1 86 86 TYR H H 86 9.580 9.580 9.069 0.511 25642 232 1 1 . 1 1 87 87 ALA N N 87 122.670 122.670 125.975 -3.305 25642 233 1 1 . 1 1 87 87 ALA C C 87 177.320 177.320 175.876 1.444 25642 234 1 1 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.545 0.714 25642 235 1 1 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.198 0.252 25642 236 1 1 . 1 1 87 87 ALA H H 87 8.080 8.080 8.448 -0.368 25642 237 1 1 . 1 1 88 88 GLU N N 88 120.180 120.180 118.202 1.978 25642 238 1 1 . 1 1 88 88 GLU C C 88 177.310 177.310 176.451 0.859 25642 239 1 1 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.172 2.018 25642 240 1 1 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.299 -1.649 25642 241 1 1 . 1 1 88 88 GLU H H 88 8.640 8.640 8.300 0.340 25642 242 1 1 . 1 1 89 89 ALA N N 89 118.770 118.770 118.767 0.003 25642 243 1 1 . 1 1 89 89 ALA C C 89 175.890 175.890 174.981 0.909 25642 244 1 1 . 1 1 89 89 ALA CA C 89 51.510 51.510 51.000 0.510 25642 245 1 1 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.430 -0.160 25642 246 1 1 . 1 1 89 89 ALA H H 89 7.340 7.340 7.719 -0.379 25642 247 1 1 . 1 1 90 90 VAL N N 90 119.720 119.720 116.008 3.712 25642 248 1 1 . 1 1 90 90 VAL C C 90 174.710 174.710 173.733 0.977 25642 249 1 1 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.297 0.223 25642 250 1 1 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.361 0.629 25642 251 1 1 . 1 1 90 90 VAL H H 90 8.490 8.490 8.020 0.470 25642 252 1 1 . 1 1 91 91 GLU N N 91 128.200 128.200 125.166 3.034 25642 253 1 1 . 1 1 91 91 GLU C C 91 175.470 175.470 176.111 -0.641 25642 254 1 1 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.730 0.060 25642 255 1 1 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.929 0.751 25642 256 1 1 . 1 1 91 91 GLU H H 91 9.070 9.070 8.699 0.371 25642 257 1 1 . 1 1 92 92 VAL N N 92 122.080 122.080 124.944 -2.864 25642 258 1 1 . 1 1 92 92 VAL C C 92 174.490 174.490 175.247 -0.757 25642 259 1 1 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.171 0.489 25642 260 1 1 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.415 0.675 25642 261 1 1 . 1 1 92 92 VAL H H 92 9.450 9.450 8.412 1.038 25642 262 1 1 . 1 1 93 93 ARG N N 93 123.900 123.900 124.872 -0.972 25642 263 1 1 . 1 1 93 93 ARG C C 93 176.280 176.280 174.929 1.351 25642 264 1 1 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.262 1.028 25642 265 1 1 . 1 1 93 93 ARG CB C 93 30.890 30.890 32.145 -1.255 25642 266 1 1 . 1 1 93 93 ARG H H 93 9.200 9.200 8.274 0.926 25642 267 1 1 . 1 1 94 94 GLY N N 94 111.100 111.100 105.562 5.538 25642 268 1 1 . 1 1 94 94 GLY C C 94 170.710 170.710 172.236 -1.526 25642 269 1 1 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.932 0.858 25642 270 1 1 . 1 1 94 94 GLY H H 94 6.250 6.250 8.027 -1.777 25642 271 1 1 . 1 1 95 95 ARG N N 95 126.190 126.190 119.746 6.444 25642 272 1 1 . 1 1 95 95 ARG C C 95 175.570 175.570 174.889 0.681 25642 273 1 1 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.680 -1.010 25642 274 1 1 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.756 1.164 25642 275 1 1 . 1 1 95 95 ARG H H 95 8.140 8.140 7.812 0.328 25642 276 1 1 . 1 1 96 96 VAL N N 96 124.800 124.800 123.678 1.122 25642 277 1 1 . 1 1 96 96 VAL C C 96 174.070 174.070 173.627 0.443 25642 278 1 1 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.646 0.514 25642 279 1 1 . 1 1 96 96 VAL CB C 96 35.860 35.860 34.367 1.493 25642 280 1 1 . 1 1 96 96 VAL H H 96 9.430 9.430 9.002 0.428 25642 281 1 1 . 1 1 97 97 VAL N N 97 128.010 128.010 123.621 4.389 25642 282 1 1 . 1 1 97 97 VAL C C 97 176.430 176.430 174.394 2.036 25642 283 1 1 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.208 1.872 25642 284 1 1 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.242 0.388 25642 285 1 1 . 1 1 97 97 VAL H H 97 9.260 9.260 8.241 1.019 25642 286 1 1 . 1 1 98 98 GLY N N 98 116.340 116.340 114.688 1.652 25642 287 1 1 . 1 1 98 98 GLY C C 98 171.770 171.770 172.047 -0.277 25642 288 1 1 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.130 -0.240 25642 289 1 1 . 1 1 98 98 GLY H H 98 8.600 8.600 8.692 -0.092 25642 290 1 1 . 1 1 99 99 ALA N N 99 124.110 124.110 123.352 0.758 25642 291 1 1 . 1 1 99 99 ALA C C 99 176.060 176.060 174.390 1.670 25642 292 1 1 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.837 -0.147 25642 293 1 1 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.121 -0.421 25642 294 1 1 . 1 1 99 99 ALA H H 99 8.110 8.110 7.748 0.362 25642 295 1 1 . 1 1 100 100 ILE N N 100 119.340 119.340 122.746 -3.406 25642 296 1 1 . 1 1 100 100 ILE C C 100 174.770 174.770 173.460 1.310 25642 297 1 1 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.577 1.044 25642 298 1 1 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.858 0.461 25642 299 1 1 . 1 1 100 100 ILE H H 100 8.910 8.910 8.106 0.804 25642 300 1 1 . 1 1 101 101 THR N N 101 127.010 127.010 125.062 1.948 25642 301 1 1 . 1 1 101 101 THR C C 101 173.980 173.980 173.256 0.724 25642 302 1 1 . 1 1 101 101 THR CA C 101 61.620 61.620 61.351 0.269 25642 303 1 1 . 1 1 101 101 THR CB C 101 69.700 69.700 69.652 0.048 25642 304 1 1 . 1 1 101 101 THR H H 101 8.950 8.950 8.337 0.613 25642 305 1 1 . 1 1 102 102 SER N N 102 119.870 119.870 121.723 -1.853 25642 306 1 1 . 1 1 102 102 SER C C 102 174.000 174.000 174.069 -0.069 25642 307 1 1 . 1 1 102 102 SER CA C 102 56.190 56.190 57.738 -1.548 25642 308 1 1 . 1 1 102 102 SER CB C 102 64.710 64.710 66.968 -2.258 25642 309 1 1 . 1 1 102 102 SER H H 102 8.800 8.800 8.334 0.466 25642 310 1 1 . 1 1 103 103 LYS N N 103 124.650 124.650 121.985 2.665 25642 311 1 1 . 1 1 103 103 LYS C C 103 177.200 177.200 176.412 0.788 25642 312 1 1 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.883 2.417 25642 313 1 1 . 1 1 103 103 LYS CB C 103 32.510 32.510 32.907 -0.397 25642 314 1 1 . 1 1 103 103 LYS H H 103 7.560 7.560 8.951 -1.391 25642 315 1 1 . 1 1 104 104 GLN N N 104 115.370 115.370 116.950 -1.580 25642 316 1 1 . 1 1 104 104 GLN C C 104 174.650 174.650 174.294 0.356 25642 317 1 1 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.762 0.098 25642 318 1 1 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.600 -0.720 25642 319 1 1 . 1 1 104 104 GLN H H 104 7.650 7.650 7.598 0.052 25642 320 1 1 . 1 1 105 105 VAL N N 105 125.510 125.510 122.954 2.556 25642 321 1 1 . 1 1 105 105 VAL C C 105 174.530 174.530 174.097 0.433 25642 322 1 1 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.297 -0.377 25642 323 1 1 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.837 -0.837 25642 324 1 1 . 1 1 105 105 VAL H H 105 8.670 8.670 8.319 0.351 25642 325 1 1 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.494 0.556 25642 326 1 1 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.198 0.542 25642 327 1 1 . 1 1 106 106 ARG H H 106 8.560 8.560 8.350 0.210 25642 328 1 1 . 1 1 107 107 LEU N N 107 125.820 125.820 125.730 0.090 25642 329 1 1 . 1 1 107 107 LEU C C 107 176.190 176.190 175.138 1.052 25642 330 1 1 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.107 -0.537 25642 331 1 1 . 1 1 107 107 LEU CB C 107 41.130 41.130 41.078 0.052 25642 332 1 1 . 1 1 107 107 LEU H H 107 8.730 8.730 8.135 0.595 25642 333 1 1 . 1 1 108 108 TYR N N 108 120.870 120.870 124.124 -3.254 25642 334 1 1 . 1 1 108 108 TYR C C 108 178.880 178.880 176.928 1.952 25642 335 1 1 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.539 0.990 25642 336 1 1 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.651 -0.871 25642 337 1 1 . 1 1 108 108 TYR H H 108 8.280 8.280 7.791 0.489 25642 338 1 1 . 1 1 109 109 GLY N N 109 112.380 112.380 109.679 2.701 25642 339 1 1 . 1 1 109 109 GLY C C 109 172.330 172.330 174.276 -1.946 25642 340 1 1 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.378 1.902 25642 341 1 1 . 1 1 109 109 GLY H H 109 10.080 10.080 8.834 1.246 25642 342 1 1 . 1 1 110 110 THR N N 110 103.280 103.280 112.469 -9.189 25642 343 1 1 . 1 1 110 110 THR C C 110 175.370 175.370 175.138 0.232 25642 344 1 1 . 1 1 110 110 THR CA C 110 61.220 61.220 61.378 -0.158 25642 345 1 1 . 1 1 110 110 THR CB C 110 70.160 70.160 68.209 1.951 25642 346 1 1 . 1 1 110 110 THR H H 110 6.910 6.910 8.455 -1.545 25642 347 1 1 . 1 1 111 111 SER N N 111 118.040 118.040 117.223 0.817 25642 348 1 1 . 1 1 111 111 SER C C 111 174.740 174.740 173.148 1.592 25642 349 1 1 . 1 1 111 111 SER CA C 111 59.070 59.070 59.497 -0.427 25642 350 1 1 . 1 1 111 111 SER CB C 111 67.870 67.870 63.889 3.981 25642 351 1 1 . 1 1 111 111 SER H H 111 7.960 7.960 7.916 0.044 25642 352 1 1 . 1 1 112 112 TYR N N 112 124.220 124.220 118.806 5.414 25642 353 1 1 . 1 1 112 112 TYR C C 112 174.090 174.090 173.871 0.219 25642 354 1 1 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.797 -0.387 25642 355 1 1 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.296 -1.606 25642 356 1 1 . 1 1 112 112 TYR H H 112 8.720 8.720 8.483 0.237 25642 357 1 1 . 1 1 113 113 VAL N N 113 129.090 129.090 124.329 4.761 25642 358 1 1 . 1 1 113 113 VAL C C 113 173.870 173.870 174.097 -0.227 25642 359 1 1 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.592 0.448 25642 360 1 1 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.689 0.241 25642 361 1 1 . 1 1 113 113 VAL H H 113 9.640 9.640 7.850 1.790 25642 362 1 1 . 1 1 114 114 ASP N N 114 127.460 127.460 125.995 1.465 25642 363 1 1 . 1 1 114 114 ASP C C 114 176.250 176.250 175.294 0.956 25642 364 1 1 . 1 1 114 114 ASP CA C 114 51.470 51.470 53.011 -1.541 25642 365 1 1 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.280 -0.060 25642 366 1 1 . 1 1 114 114 ASP H H 114 8.630 8.630 8.163 0.467 25642 367 1 1 . 1 1 115 115 GLY N N 115 113.040 113.040 111.107 1.933 25642 368 1 1 . 1 1 115 115 GLY C C 115 171.140 171.140 172.218 -1.078 25642 369 1 1 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.928 0.222 25642 370 1 1 . 1 1 115 115 GLY H H 115 8.880 8.880 8.258 0.622 25642 371 1 1 . 1 1 116 116 ASP N N 116 117.450 117.450 122.268 -4.818 25642 372 1 1 . 1 1 116 116 ASP C C 116 176.850 176.850 175.951 0.899 25642 373 1 1 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.519 -0.159 25642 374 1 1 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.060 0.310 25642 375 1 1 . 1 1 116 116 ASP H H 116 7.390 7.390 8.010 -0.620 25642 376 1 1 . 1 1 117 117 ILE N N 117 121.440 121.440 125.796 -4.356 25642 377 1 1 . 1 1 117 117 ILE C C 117 176.780 176.780 174.978 1.802 25642 378 1 1 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.348 0.372 25642 379 1 1 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.323 -1.693 25642 380 1 1 . 1 1 117 117 ILE H H 117 9.200 9.200 8.038 1.162 25642 381 1 1 . 1 1 118 118 THR N N 118 131.550 131.550 122.434 9.116 25642 382 1 1 . 1 1 118 118 THR C C 118 173.630 173.630 172.851 0.779 25642 383 1 1 . 1 1 118 118 THR CA C 118 62.110 62.110 61.603 0.507 25642 384 1 1 . 1 1 118 118 THR CB C 118 67.860 67.860 69.982 -2.122 25642 385 1 1 . 1 1 118 118 THR H H 118 9.560 9.560 8.241 1.319 25642 386 1 1 . 1 1 119 119 HIS N N 119 121.300 121.300 123.481 -2.181 25642 387 1 1 . 1 1 119 119 HIS C C 119 174.780 174.780 174.364 0.416 25642 388 1 1 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.157 2.693 25642 389 1 1 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.591 0.959 25642 390 1 1 . 1 1 119 119 HIS H H 119 8.290 8.290 8.062 0.228 25642 391 1 1 . 1 1 120 120 GLU N N 120 118.130 118.130 120.102 -1.972 25642 392 1 1 . 1 1 120 120 GLU C C 120 177.120 177.120 177.082 0.038 25642 393 1 1 . 1 1 120 120 GLU CA C 120 58.780 58.780 58.383 0.397 25642 394 1 1 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.407 -0.107 25642 395 1 1 . 1 1 120 120 GLU H H 120 7.710 7.710 8.840 -1.130 25642 396 1 1 . 1 1 121 121 GLN N N 121 117.670 117.670 118.377 -0.707 25642 397 1 1 . 1 1 121 121 GLN C C 121 172.760 172.760 174.144 -1.384 25642 398 1 1 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.631 1.249 25642 399 1 1 . 1 1 121 121 GLN CB C 121 32.580 32.580 30.670 1.910 25642 400 1 1 . 1 1 121 121 GLN H H 121 8.950 8.950 8.233 0.717 25642 401 1 1 . 1 1 122 122 LEU N N 122 126.250 126.250 119.295 6.955 25642 402 1 1 . 1 1 122 122 LEU C C 122 173.300 173.300 175.495 -2.195 25642 403 1 1 . 1 1 122 122 LEU CA C 122 53.820 53.820 52.885 0.935 25642 404 1 1 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.295 0.155 25642 405 1 1 . 1 1 122 122 LEU H H 122 8.660 8.660 8.296 0.364 25642 406 1 1 . 1 1 123 123 ALA N N 123 126.670 126.670 125.491 1.179 25642 407 1 1 . 1 1 123 123 ALA C C 123 175.940 175.940 175.831 0.109 25642 408 1 1 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.662 -2.092 25642 409 1 1 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.873 0.477 25642 410 1 1 . 1 1 123 123 ALA H H 123 8.090 8.090 8.473 -0.383 25642 411 1 1 . 1 1 124 124 MET N N 124 119.800 119.800 121.761 -1.961 25642 412 1 1 . 1 1 124 124 MET C C 124 174.960 174.960 175.466 -0.506 25642 413 1 1 . 1 1 124 124 MET CA C 124 54.770 54.770 54.089 0.681 25642 414 1 1 . 1 1 124 124 MET CB C 124 37.620 37.620 32.849 4.771 25642 415 1 1 . 1 1 124 124 MET H H 124 8.810 8.810 8.479 0.331 25642 416 1 1 . 1 1 125 125 GLU N N 125 125.500 125.500 124.564 0.936 25642 417 1 1 . 1 1 125 125 GLU C C 125 175.410 175.410 175.464 -0.054 25642 418 1 1 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.206 0.464 25642 419 1 1 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.565 -1.055 25642 420 1 1 . 1 1 125 125 GLU H H 125 8.760 8.760 8.138 0.622 25642 421 1 1 . 1 1 126 126 THR N N 126 118.440 118.440 118.479 -0.039 25642 422 1 1 . 1 1 126 126 THR C C 126 174.300 174.300 174.901 -0.601 25642 423 1 1 . 1 1 126 126 THR CA C 126 65.870 65.870 64.268 1.602 25642 424 1 1 . 1 1 126 126 THR CB C 126 69.050 69.050 68.978 0.072 25642 425 1 1 . 1 1 127 127 GLY N N 127 116.970 116.970 112.670 4.300 25642 426 1 1 . 1 1 127 127 GLY C C 127 175.320 175.320 173.190 2.130 25642 427 1 1 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.861 0.139 25642 428 1 1 . 1 1 128 128 ALA N N 128 124.190 124.190 123.957 0.233 25642 429 1 1 . 1 1 128 128 ALA C C 128 177.670 177.670 175.808 1.862 25642 430 1 1 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.064 2.576 25642 431 1 1 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.691 0.059 25642 432 1 1 . 1 1 128 128 ALA H H 128 7.930 7.930 7.309 0.621 25642 433 1 1 . 1 1 129 129 PHE N N 129 127.300 127.300 125.991 1.309 25642 434 1 1 . 1 1 129 129 PHE C C 129 173.400 173.400 173.165 0.235 25642 435 1 1 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.564 0.326 25642 436 1 1 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.422 -0.902 25642 437 1 1 . 1 1 129 129 PHE H H 129 8.550 8.550 8.089 0.461 25642 438 1 1 . 1 1 130 130 PHE N N 130 131.220 131.220 119.939 11.281 25642 439 1 1 . 1 1 130 130 PHE C C 130 173.550 173.550 174.204 -0.654 25642 440 1 1 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.403 -2.033 25642 441 1 1 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.451 -0.991 25642 442 1 1 . 1 1 130 130 PHE H H 130 8.860 8.860 7.901 0.959 25642 443 1 1 . 1 1 131 131 GLN N N 131 130.230 130.230 123.819 6.411 25642 444 1 1 . 1 1 131 131 GLN C C 131 173.350 173.350 174.956 -1.606 25642 445 1 1 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.893 -1.473 25642 446 1 1 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.552 2.449 25642 447 1 1 . 1 1 131 131 GLN H H 131 8.840 8.840 8.478 0.362 25642 448 1 1 . 1 1 132 132 GLY N N 132 112.460 112.460 108.615 3.845 25642 449 1 1 . 1 1 132 132 GLY C C 132 172.750 172.750 172.614 0.136 25642 450 1 1 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.053 -0.583 25642 451 1 1 . 1 1 133 133 ARG N N 133 119.950 119.950 120.219 -0.269 25642 452 1 1 . 1 1 133 133 ARG C C 133 173.910 173.910 175.459 -1.549 25642 453 1 1 . 1 1 133 133 ARG CA C 133 55.870 55.870 56.037 -0.167 25642 454 1 1 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.607 1.583 25642 455 1 1 . 1 1 133 133 ARG H H 133 8.470 8.470 8.261 0.209 25642 456 1 1 . 1 1 134 134 SER N N 134 119.120 119.120 120.587 -1.467 25642 457 1 1 . 1 1 134 134 SER C C 134 174.260 174.260 173.976 0.284 25642 458 1 1 . 1 1 134 134 SER CA C 134 57.140 57.140 57.461 -0.321 25642 459 1 1 . 1 1 134 134 SER CB C 134 63.450 63.450 64.695 -1.245 25642 460 1 1 . 1 1 134 134 SER H H 134 8.680 8.680 8.557 0.123 25642 461 1 1 . 1 1 135 135 LEU N N 135 127.740 127.740 126.789 0.951 25642 462 1 1 . 1 1 135 135 LEU C C 135 174.990 174.990 175.788 -0.798 25642 463 1 1 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.060 -0.840 25642 464 1 1 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.857 2.323 25642 465 1 1 . 1 1 135 135 LEU H H 135 8.560 8.560 8.363 0.197 25642 466 1 1 . 1 1 136 136 LYS N N 136 118.190 118.190 123.029 -4.839 25642 467 1 1 . 1 1 136 136 LYS C C 136 178.030 178.030 176.298 1.732 25642 468 1 1 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.600 -3.540 25642 469 1 1 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.650 -1.640 25642 470 1 1 . 1 1 136 136 LYS H H 136 8.180 8.180 8.569 -0.389 25642 471 1 1 . 1 1 137 137 PHE N N 137 121.570 121.570 125.414 -3.844 25642 472 1 1 . 1 1 137 137 PHE C C 137 176.370 176.370 175.511 0.859 25642 473 1 1 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.952 -0.012 25642 474 1 1 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.107 0.623 25642 475 1 1 . 1 1 137 137 PHE H H 137 7.800 7.800 8.993 -1.193 25642 476 1 1 . 1 1 138 138 GLN N N 138 123.070 123.070 125.221 -2.151 25642 477 1 1 . 1 1 138 138 GLN H H 138 8.560 8.560 8.533 0.027 25642 478 1 2 . 1 1 38 38 VAL C C 38 175.900 175.900 174.743 1.157 25642 479 1 2 . 1 1 39 39 ALA N N 39 130.020 130.020 131.205 -1.185 25642 480 1 2 . 1 1 39 39 ALA C C 39 177.440 177.440 177.500 -0.060 25642 481 1 2 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.377 2.002 25642 482 1 2 . 1 1 39 39 ALA CB C 39 19.820 19.820 19.363 0.457 25642 483 1 2 . 1 1 39 39 ALA H H 39 8.200 8.200 8.249 -0.049 25642 484 1 2 . 1 1 40 40 SER N N 40 115.080 115.080 119.429 -4.349 25642 485 1 2 . 1 1 40 40 SER C C 40 173.460 173.460 173.457 0.003 25642 486 1 2 . 1 1 40 40 SER CA C 40 60.040 60.040 58.386 1.654 25642 487 1 2 . 1 1 40 40 SER CB C 40 66.420 66.420 64.000 2.420 25642 488 1 2 . 1 1 40 40 SER H H 40 7.970 7.970 8.270 -0.300 25642 489 1 2 . 1 1 41 41 LEU N N 41 127.860 127.860 124.087 3.773 25642 490 1 2 . 1 1 41 41 LEU C C 41 174.130 174.130 175.505 -1.375 25642 491 1 2 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.527 0.133 25642 492 1 2 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.746 1.554 25642 493 1 2 . 1 1 41 41 LEU H H 41 9.490 9.490 8.331 1.159 25642 494 1 2 . 1 1 42 42 LEU N N 42 126.730 126.730 129.121 -2.391 25642 495 1 2 . 1 1 42 42 LEU C C 42 175.120 175.120 176.361 -1.241 25642 496 1 2 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.614 -0.904 25642 497 1 2 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.176 -1.716 25642 498 1 2 . 1 1 42 42 LEU H H 42 8.640 8.640 8.369 0.271 25642 499 1 2 . 1 1 43 43 SER N N 43 123.530 123.530 120.685 2.845 25642 500 1 2 . 1 1 43 43 SER C C 43 172.810 172.810 175.239 -2.429 25642 501 1 2 . 1 1 43 43 SER CA C 43 58.990 58.990 59.075 -0.085 25642 502 1 2 . 1 1 43 43 SER CB C 43 64.200 64.200 63.627 0.572 25642 503 1 2 . 1 1 43 43 SER H H 43 9.060 9.060 8.818 0.242 25642 504 1 2 . 1 1 44 44 ALA N N 44 119.250 119.250 121.562 -2.312 25642 505 1 2 . 1 1 44 44 ALA C C 44 177.720 177.720 178.632 -0.912 25642 506 1 2 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.715 0.285 25642 507 1 2 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.139 -0.409 25642 508 1 2 . 1 1 44 44 ALA H H 44 8.490 8.490 8.542 -0.052 25642 509 1 2 . 1 1 45 45 ASP N N 45 114.450 114.450 118.594 -4.144 25642 510 1 2 . 1 1 45 45 ASP C C 45 175.800 175.800 174.812 0.988 25642 511 1 2 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.999 -1.020 25642 512 1 2 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.117 2.563 25642 513 1 2 . 1 1 45 45 ASP H H 45 8.080 8.080 8.712 -0.632 25642 514 1 2 . 1 1 46 46 LEU N N 46 122.200 122.200 121.032 1.168 25642 515 1 2 . 1 1 46 46 LEU C C 46 176.290 176.290 175.397 0.893 25642 516 1 2 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.004 0.616 25642 517 1 2 . 1 1 46 46 LEU CB C 46 45.960 45.960 44.856 1.103 25642 518 1 2 . 1 1 46 46 LEU H H 46 7.860 7.860 7.531 0.329 25642 519 1 2 . 1 1 47 47 THR N N 47 119.850 119.850 118.777 1.073 25642 520 1 2 . 1 1 47 47 THR C C 47 174.140 174.140 174.302 -0.162 25642 521 1 2 . 1 1 47 47 THR CA C 47 61.650 61.650 60.507 1.143 25642 522 1 2 . 1 1 47 47 THR CB C 47 71.210 71.210 69.267 1.943 25642 523 1 2 . 1 1 47 47 THR H H 47 9.000 9.000 8.330 0.670 25642 524 1 2 . 1 1 48 48 ILE N N 48 128.090 128.090 129.242 -1.152 25642 525 1 2 . 1 1 48 48 ILE C C 48 174.810 174.810 174.817 -0.007 25642 526 1 2 . 1 1 48 48 ILE CA C 48 59.150 59.150 61.517 -2.367 25642 527 1 2 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.666 1.444 25642 528 1 2 . 1 1 48 48 ILE H H 48 9.330 9.330 8.206 1.124 25642 529 1 2 . 1 1 49 49 GLU N N 49 129.080 129.080 125.017 4.063 25642 530 1 2 . 1 1 49 49 GLU C C 49 175.160 175.160 177.388 -2.228 25642 531 1 2 . 1 1 49 49 GLU CA C 49 54.500 54.500 54.737 -0.237 25642 532 1 2 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.034 -2.674 25642 533 1 2 . 1 1 49 49 GLU H H 49 8.830 8.830 8.484 0.346 25642 534 1 2 . 1 1 50 50 GLY N N 50 114.250 114.250 113.689 0.561 25642 535 1 2 . 1 1 50 50 GLY C C 50 170.510 170.510 173.083 -2.573 25642 536 1 2 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.048 0.012 25642 537 1 2 . 1 1 50 50 GLY H H 50 8.320 8.320 8.233 0.087 25642 538 1 2 . 1 1 51 51 GLY N N 51 102.740 102.740 109.603 -6.863 25642 539 1 2 . 1 1 51 51 GLY C C 51 174.230 174.230 173.533 0.697 25642 540 1 2 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.251 -0.371 25642 541 1 2 . 1 1 51 51 GLY H H 51 8.000 8.000 8.135 -0.135 25642 542 1 2 . 1 1 52 52 VAL N N 52 122.770 122.770 123.583 -0.813 25642 543 1 2 . 1 1 52 52 VAL C C 52 175.290 175.290 174.409 0.881 25642 544 1 2 . 1 1 52 52 VAL CA C 52 61.170 61.170 61.186 -0.016 25642 545 1 2 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.145 0.805 25642 546 1 2 . 1 1 52 52 VAL H H 52 8.550 8.550 8.095 0.455 25642 547 1 2 . 1 1 53 53 THR N N 53 121.860 121.860 116.629 5.231 25642 548 1 2 . 1 1 53 53 THR C C 53 173.790 173.790 173.772 0.018 25642 549 1 2 . 1 1 53 53 THR CA C 53 60.580 60.580 59.902 0.678 25642 550 1 2 . 1 1 53 53 THR CB C 53 72.310 72.310 71.326 0.984 25642 551 1 2 . 1 1 53 53 THR H H 53 9.150 9.150 8.119 1.031 25642 552 1 2 . 1 1 54 54 GLY N N 54 112.960 112.960 110.800 2.160 25642 553 1 2 . 1 1 54 54 GLY C C 54 172.530 172.530 172.196 0.334 25642 554 1 2 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.583 0.287 25642 555 1 2 . 1 1 54 54 GLY H H 54 9.080 9.080 8.211 0.869 25642 556 1 2 . 1 1 55 55 GLU N N 55 118.200 118.200 119.018 -0.818 25642 557 1 2 . 1 1 55 55 GLU C C 55 177.350 177.350 176.899 0.451 25642 558 1 2 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.138 0.962 25642 559 1 2 . 1 1 55 55 GLU CB C 55 31.140 31.140 31.973 -0.833 25642 560 1 2 . 1 1 55 55 GLU H H 55 8.790 8.790 8.413 0.377 25642 561 1 2 . 1 1 56 56 GLY N N 56 109.740 109.740 108.383 1.357 25642 562 1 2 . 1 1 56 56 GLY C C 56 173.400 173.400 173.398 0.002 25642 563 1 2 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.131 -0.441 25642 564 1 2 . 1 1 56 56 GLY H H 56 8.580 8.580 8.314 0.266 25642 565 1 2 . 1 1 57 57 GLU N N 57 122.180 122.180 121.748 0.432 25642 566 1 2 . 1 1 57 57 GLU C C 57 175.970 175.970 174.512 1.458 25642 567 1 2 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.167 -0.067 25642 568 1 2 . 1 1 57 57 GLU CB C 57 31.770 31.770 32.430 -0.660 25642 569 1 2 . 1 1 57 57 GLU H H 57 8.810 8.810 8.044 0.766 25642 570 1 2 . 1 1 58 58 LEU N N 58 126.040 126.040 126.466 -0.426 25642 571 1 2 . 1 1 58 58 LEU C C 58 173.100 173.100 173.926 -0.826 25642 572 1 2 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.247 -0.567 25642 573 1 2 . 1 1 58 58 LEU CB C 58 46.440 46.440 45.345 1.095 25642 574 1 2 . 1 1 58 58 LEU H H 58 8.720 8.720 8.281 0.439 25642 575 1 2 . 1 1 59 59 GLN N N 59 127.940 127.940 128.096 -0.156 25642 576 1 2 . 1 1 59 59 GLN C C 59 174.540 174.540 174.407 0.133 25642 577 1 2 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.454 -0.614 25642 578 1 2 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.240 0.550 25642 579 1 2 . 1 1 59 59 GLN H H 59 8.400 8.400 8.497 -0.097 25642 580 1 2 . 1 1 60 60 ILE N N 60 124.610 124.610 126.948 -2.338 25642 581 1 2 . 1 1 60 60 ILE C C 60 174.340 174.340 173.237 1.103 25642 582 1 2 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.472 1.858 25642 583 1 2 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.466 -0.716 25642 584 1 2 . 1 1 60 60 ILE H H 60 9.100 9.100 8.204 0.896 25642 585 1 2 . 1 1 61 61 ASP N N 61 127.350 127.350 126.485 0.865 25642 586 1 2 . 1 1 61 61 ASP C C 61 176.210 176.210 174.562 1.648 25642 587 1 2 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.888 1.012 25642 588 1 2 . 1 1 61 61 ASP CB C 61 42.480 42.480 42.042 0.438 25642 589 1 2 . 1 1 61 61 ASP H H 61 9.070 9.070 8.175 0.895 25642 590 1 2 . 1 1 62 62 GLY N N 62 110.340 110.340 107.318 3.022 25642 591 1 2 . 1 1 62 62 GLY C C 62 170.870 170.870 172.046 -1.176 25642 592 1 2 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.406 1.084 25642 593 1 2 . 1 1 62 62 GLY H H 62 6.590 6.590 7.711 -1.121 25642 594 1 2 . 1 1 63 63 VAL N N 63 122.570 122.570 120.100 2.470 25642 595 1 2 . 1 1 63 63 VAL C C 63 176.030 176.030 174.281 1.749 25642 596 1 2 . 1 1 63 63 VAL CA C 63 61.010 61.010 58.965 2.045 25642 597 1 2 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.693 0.157 25642 598 1 2 . 1 1 63 63 VAL H H 63 8.070 8.070 7.704 0.366 25642 599 1 2 . 1 1 64 64 VAL N N 64 125.470 125.470 123.613 1.857 25642 600 1 2 . 1 1 64 64 VAL C C 64 174.410 174.410 174.128 0.282 25642 601 1 2 . 1 1 64 64 VAL CA C 64 61.220 61.220 60.569 0.651 25642 602 1 2 . 1 1 64 64 VAL CB C 64 35.690 35.690 34.445 1.245 25642 603 1 2 . 1 1 64 64 VAL H H 64 9.010 9.010 8.018 0.992 25642 604 1 2 . 1 1 65 65 LYS N N 65 129.120 129.120 126.597 2.523 25642 605 1 2 . 1 1 65 65 LYS C C 65 175.120 175.120 176.128 -1.008 25642 606 1 2 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.589 -0.279 25642 607 1 2 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.054 -1.614 25642 608 1 2 . 1 1 65 65 LYS H H 65 9.150 9.150 8.873 0.277 25642 609 1 2 . 1 1 66 66 GLY N N 66 115.020 115.020 112.931 2.089 25642 610 1 2 . 1 1 66 66 GLY C C 66 170.210 170.210 172.698 -2.488 25642 611 1 2 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.974 -0.494 25642 612 1 2 . 1 1 66 66 GLY H H 66 8.300 8.300 7.982 0.318 25642 613 1 2 . 1 1 67 67 ASP N N 67 115.420 115.420 122.909 -7.489 25642 614 1 2 . 1 1 67 67 ASP C C 67 176.920 176.920 175.965 0.955 25642 615 1 2 . 1 1 67 67 ASP CA C 67 53.330 53.330 55.147 -1.817 25642 616 1 2 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.778 -0.828 25642 617 1 2 . 1 1 67 67 ASP H H 67 7.690 7.690 8.356 -0.666 25642 618 1 2 . 1 1 68 68 VAL N N 68 122.440 122.440 121.580 0.860 25642 619 1 2 . 1 1 68 68 VAL C C 68 174.450 174.450 174.280 0.170 25642 620 1 2 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.975 -0.005 25642 621 1 2 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.410 1.829 25642 622 1 2 . 1 1 68 68 VAL H H 68 8.930 8.930 8.037 0.893 25642 623 1 2 . 1 1 69 69 ARG N N 69 130.610 130.610 129.123 1.487 25642 624 1 2 . 1 1 69 69 ARG C C 69 175.150 175.150 173.882 1.268 25642 625 1 2 . 1 1 69 69 ARG CA C 69 54.820 54.820 53.921 0.899 25642 626 1 2 . 1 1 69 69 ARG CB C 69 32.000 32.000 31.998 0.001 25642 627 1 2 . 1 1 69 69 ARG H H 69 9.110 9.110 8.436 0.674 25642 628 1 2 . 1 1 70 70 VAL N N 70 114.530 114.530 124.823 -10.293 25642 629 1 2 . 1 1 70 70 VAL C C 70 175.440 175.440 174.368 1.072 25642 630 1 2 . 1 1 70 70 VAL CA C 70 58.400 58.400 59.879 -1.479 25642 631 1 2 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.628 -0.258 25642 632 1 2 . 1 1 70 70 VAL H H 70 8.290 8.290 7.663 0.627 25642 633 1 2 . 1 1 71 71 GLY N N 71 108.150 108.150 109.747 -1.597 25642 634 1 2 . 1 1 71 71 GLY C C 71 174.710 174.710 173.713 0.997 25642 635 1 2 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.584 1.317 25642 636 1 2 . 1 1 71 71 GLY H H 71 8.110 8.110 8.541 -0.431 25642 637 1 2 . 1 1 72 72 ARG N N 72 120.660 120.660 119.978 0.682 25642 638 1 2 . 1 1 72 72 ARG C C 72 173.620 173.620 174.069 -0.449 25642 639 1 2 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.632 0.688 25642 640 1 2 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.630 1.150 25642 641 1 2 . 1 1 72 72 ARG H H 72 7.690 7.690 7.922 -0.232 25642 642 1 2 . 1 1 73 73 LEU N N 73 125.710 125.710 128.897 -3.187 25642 643 1 2 . 1 1 73 73 LEU C C 73 175.230 175.230 175.099 0.131 25642 644 1 2 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.470 -0.920 25642 645 1 2 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.928 1.602 25642 646 1 2 . 1 1 73 73 LEU H H 73 8.570 8.570 8.888 -0.318 25642 647 1 2 . 1 1 74 74 THR N N 74 123.150 123.150 120.863 2.287 25642 648 1 2 . 1 1 74 74 THR C C 74 173.670 173.670 174.199 -0.529 25642 649 1 2 . 1 1 74 74 THR CA C 74 61.480 61.480 60.466 1.014 25642 650 1 2 . 1 1 74 74 THR CB C 74 70.710 70.710 69.807 0.903 25642 651 1 2 . 1 1 74 74 THR H H 74 8.860 8.860 8.399 0.461 25642 652 1 2 . 1 1 75 75 VAL N N 75 127.890 127.890 126.489 1.401 25642 653 1 2 . 1 1 75 75 VAL C C 75 176.800 176.800 176.783 0.017 25642 654 1 2 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.478 -1.348 25642 655 1 2 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.167 1.673 25642 656 1 2 . 1 1 75 75 VAL H H 75 8.910 8.910 8.084 0.826 25642 657 1 2 . 1 1 76 76 GLY N N 76 116.590 116.590 115.348 1.242 25642 658 1 2 . 1 1 76 76 GLY C C 76 174.060 174.060 174.432 -0.372 25642 659 1 2 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.441 -0.211 25642 660 1 2 . 1 1 76 76 GLY H H 76 8.980 8.980 9.174 -0.194 25642 661 1 2 . 1 1 77 77 GLU N N 77 121.140 121.140 119.079 2.061 25642 662 1 2 . 1 1 77 77 GLU C C 77 178.620 178.620 179.099 -0.479 25642 663 1 2 . 1 1 77 77 GLU CA C 77 60.500 60.500 57.661 2.839 25642 664 1 2 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.159 -0.039 25642 665 1 2 . 1 1 77 77 GLU H H 77 9.260 9.260 8.500 0.760 25642 666 1 2 . 1 1 78 78 THR N N 78 105.330 105.330 110.636 -5.306 25642 667 1 2 . 1 1 78 78 THR C C 78 174.990 174.990 176.047 -1.057 25642 668 1 2 . 1 1 78 78 THR CA C 78 62.040 62.040 63.749 -1.709 25642 669 1 2 . 1 1 78 78 THR CB C 78 69.880 69.880 69.135 0.745 25642 670 1 2 . 1 1 78 78 THR H H 78 8.010 8.010 8.711 -0.701 25642 671 1 2 . 1 1 79 79 GLY N N 79 111.420 111.420 110.805 0.615 25642 672 1 2 . 1 1 79 79 GLY C C 79 174.270 174.270 173.735 0.535 25642 673 1 2 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.992 -0.742 25642 674 1 2 . 1 1 79 79 GLY H H 79 8.240 8.240 8.522 -0.282 25642 675 1 2 . 1 1 80 80 HIS N N 80 123.970 123.970 118.426 5.544 25642 676 1 2 . 1 1 80 80 HIS C C 80 173.800 173.800 174.093 -0.293 25642 677 1 2 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.910 -1.050 25642 678 1 2 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.966 4.104 25642 679 1 2 . 1 1 80 80 HIS H H 80 8.860 8.860 7.583 1.277 25642 680 1 2 . 1 1 81 81 VAL N N 81 125.720 125.720 126.049 -0.329 25642 681 1 2 . 1 1 81 81 VAL C C 81 174.580 174.580 173.779 0.801 25642 682 1 2 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.179 -1.519 25642 683 1 2 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.077 0.783 25642 684 1 2 . 1 1 81 81 VAL H H 81 8.900 8.900 8.180 0.720 25642 685 1 2 . 1 1 82 82 GLU N N 82 129.500 129.500 127.105 2.395 25642 686 1 2 . 1 1 82 82 GLU C C 82 175.200 175.200 175.487 -0.287 25642 687 1 2 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.113 -1.213 25642 688 1 2 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.415 -1.545 25642 689 1 2 . 1 1 82 82 GLU H H 82 9.270 9.270 8.285 0.985 25642 690 1 2 . 1 1 83 83 GLY N N 83 114.070 114.070 111.099 2.971 25642 691 1 2 . 1 1 83 83 GLY C C 83 171.310 171.310 172.220 -0.910 25642 692 1 2 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.191 -0.241 25642 693 1 2 . 1 1 83 83 GLY H H 83 8.450 8.450 8.245 0.204 25642 694 1 2 . 1 1 84 84 SER N N 84 113.810 113.810 117.389 -3.579 25642 695 1 2 . 1 1 84 84 SER C C 84 173.140 173.140 174.227 -1.087 25642 696 1 2 . 1 1 84 84 SER CA C 84 57.720 57.720 57.254 0.466 25642 697 1 2 . 1 1 84 84 SER CB C 84 64.950 64.950 64.179 0.771 25642 698 1 2 . 1 1 84 84 SER H H 84 8.320 8.320 8.145 0.175 25642 699 1 2 . 1 1 85 85 VAL N N 85 121.060 121.060 126.355 -5.295 25642 700 1 2 . 1 1 85 85 VAL C C 85 174.960 174.960 174.067 0.893 25642 701 1 2 . 1 1 85 85 VAL CA C 85 60.420 60.420 62.096 -1.676 25642 702 1 2 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.642 1.258 25642 703 1 2 . 1 1 85 85 VAL H H 85 8.730 8.730 7.915 0.815 25642 704 1 2 . 1 1 86 86 TYR N N 86 129.090 129.090 126.518 2.572 25642 705 1 2 . 1 1 86 86 TYR C C 86 174.420 174.420 174.587 -0.167 25642 706 1 2 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.425 0.035 25642 707 1 2 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.935 -0.086 25642 708 1 2 . 1 1 86 86 TYR H H 86 9.580 9.580 8.521 1.059 25642 709 1 2 . 1 1 87 87 ALA N N 87 122.670 122.670 126.008 -3.338 25642 710 1 2 . 1 1 87 87 ALA C C 87 177.320 177.320 175.510 1.810 25642 711 1 2 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.235 0.025 25642 712 1 2 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.834 0.616 25642 713 1 2 . 1 1 87 87 ALA H H 87 8.080 8.080 8.264 -0.184 25642 714 1 2 . 1 1 88 88 GLU N N 88 120.180 120.180 118.667 1.513 25642 715 1 2 . 1 1 88 88 GLU C C 88 177.310 177.310 176.497 0.813 25642 716 1 2 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.057 1.133 25642 717 1 2 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.493 -1.843 25642 718 1 2 . 1 1 88 88 GLU H H 88 8.640 8.640 8.381 0.259 25642 719 1 2 . 1 1 89 89 ALA N N 89 118.770 118.770 120.113 -1.343 25642 720 1 2 . 1 1 89 89 ALA C C 89 175.890 175.890 175.133 0.757 25642 721 1 2 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.325 1.185 25642 722 1 2 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.662 -0.392 25642 723 1 2 . 1 1 89 89 ALA H H 89 7.340 7.340 7.777 -0.437 25642 724 1 2 . 1 1 90 90 VAL N N 90 119.720 119.720 122.896 -3.176 25642 725 1 2 . 1 1 90 90 VAL C C 90 174.710 174.710 174.713 -0.003 25642 726 1 2 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.230 -0.710 25642 727 1 2 . 1 1 90 90 VAL CB C 90 35.990 35.990 34.346 1.644 25642 728 1 2 . 1 1 90 90 VAL H H 90 8.490 8.490 8.078 0.412 25642 729 1 2 . 1 1 91 91 GLU N N 91 128.200 128.200 128.260 -0.060 25642 730 1 2 . 1 1 91 91 GLU C C 91 175.470 175.470 175.951 -0.481 25642 731 1 2 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.883 -0.093 25642 732 1 2 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.001 1.679 25642 733 1 2 . 1 1 91 91 GLU H H 91 9.070 9.070 8.289 0.781 25642 734 1 2 . 1 1 92 92 VAL N N 92 122.080 122.080 124.847 -2.767 25642 735 1 2 . 1 1 92 92 VAL C C 92 174.490 174.490 175.391 -0.901 25642 736 1 2 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.059 0.601 25642 737 1 2 . 1 1 92 92 VAL CB C 92 33.090 33.090 31.935 1.155 25642 738 1 2 . 1 1 92 92 VAL H H 92 9.450 9.450 8.264 1.186 25642 739 1 2 . 1 1 93 93 ARG N N 93 123.900 123.900 125.302 -1.402 25642 740 1 2 . 1 1 93 93 ARG C C 93 176.280 176.280 175.086 1.194 25642 741 1 2 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.264 1.026 25642 742 1 2 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.749 -0.859 25642 743 1 2 . 1 1 93 93 ARG H H 93 9.200 9.200 8.229 0.971 25642 744 1 2 . 1 1 94 94 GLY N N 94 111.100 111.100 105.049 6.051 25642 745 1 2 . 1 1 94 94 GLY C C 94 170.710 170.710 172.084 -1.374 25642 746 1 2 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.716 1.074 25642 747 1 2 . 1 1 94 94 GLY H H 94 6.250 6.250 7.695 -1.445 25642 748 1 2 . 1 1 95 95 ARG N N 95 126.190 126.190 119.159 7.031 25642 749 1 2 . 1 1 95 95 ARG C C 95 175.570 175.570 174.524 1.046 25642 750 1 2 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.611 -0.941 25642 751 1 2 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.763 1.157 25642 752 1 2 . 1 1 95 95 ARG H H 95 8.140 8.140 7.710 0.430 25642 753 1 2 . 1 1 96 96 VAL N N 96 124.800 124.800 123.083 1.717 25642 754 1 2 . 1 1 96 96 VAL C C 96 174.070 174.070 173.453 0.617 25642 755 1 2 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.242 0.918 25642 756 1 2 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.602 0.258 25642 757 1 2 . 1 1 96 96 VAL H H 96 9.430 9.430 8.555 0.875 25642 758 1 2 . 1 1 97 97 VAL N N 97 128.010 128.010 124.441 3.569 25642 759 1 2 . 1 1 97 97 VAL C C 97 176.430 176.430 174.513 1.917 25642 760 1 2 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.435 1.645 25642 761 1 2 . 1 1 97 97 VAL CB C 97 33.630 33.630 32.717 0.913 25642 762 1 2 . 1 1 97 97 VAL H H 97 9.260 9.260 8.932 0.328 25642 763 1 2 . 1 1 98 98 GLY N N 98 116.340 116.340 115.023 1.317 25642 764 1 2 . 1 1 98 98 GLY C C 98 171.770 171.770 172.128 -0.358 25642 765 1 2 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.330 -0.440 25642 766 1 2 . 1 1 98 98 GLY H H 98 8.600 8.600 8.430 0.170 25642 767 1 2 . 1 1 99 99 ALA N N 99 124.110 124.110 123.402 0.708 25642 768 1 2 . 1 1 99 99 ALA C C 99 176.060 176.060 174.882 1.178 25642 769 1 2 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.854 -0.164 25642 770 1 2 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.124 -0.424 25642 771 1 2 . 1 1 99 99 ALA H H 99 8.110 8.110 7.725 0.385 25642 772 1 2 . 1 1 100 100 ILE N N 100 119.340 119.340 115.781 3.559 25642 773 1 2 . 1 1 100 100 ILE C C 100 174.770 174.770 173.539 1.231 25642 774 1 2 . 1 1 100 100 ILE CA C 100 60.620 60.620 60.270 0.350 25642 775 1 2 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.673 0.647 25642 776 1 2 . 1 1 100 100 ILE H H 100 8.910 8.910 8.258 0.652 25642 777 1 2 . 1 1 101 101 THR N N 101 127.010 127.010 123.184 3.826 25642 778 1 2 . 1 1 101 101 THR C C 101 173.980 173.980 173.634 0.346 25642 779 1 2 . 1 1 101 101 THR CA C 101 61.620 61.620 61.377 0.243 25642 780 1 2 . 1 1 101 101 THR CB C 101 69.700 69.700 70.677 -0.977 25642 781 1 2 . 1 1 101 101 THR H H 101 8.950 8.950 8.737 0.213 25642 782 1 2 . 1 1 102 102 SER N N 102 119.870 119.870 121.549 -1.679 25642 783 1 2 . 1 1 102 102 SER C C 102 174.000 174.000 173.577 0.423 25642 784 1 2 . 1 1 102 102 SER CA C 102 56.190 56.190 57.235 -1.045 25642 785 1 2 . 1 1 102 102 SER CB C 102 64.710 64.710 67.078 -2.368 25642 786 1 2 . 1 1 102 102 SER H H 102 8.800 8.800 8.252 0.548 25642 787 1 2 . 1 1 103 103 LYS N N 103 124.650 124.650 121.819 2.831 25642 788 1 2 . 1 1 103 103 LYS C C 103 177.200 177.200 176.006 1.194 25642 789 1 2 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.898 3.402 25642 790 1 2 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.453 -0.943 25642 791 1 2 . 1 1 103 103 LYS H H 103 7.560 7.560 8.519 -0.959 25642 792 1 2 . 1 1 104 104 GLN N N 104 115.370 115.370 117.300 -1.930 25642 793 1 2 . 1 1 104 104 GLN C C 104 174.650 174.650 173.787 0.863 25642 794 1 2 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.364 0.496 25642 795 1 2 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.940 -1.060 25642 796 1 2 . 1 1 104 104 GLN H H 104 7.650 7.650 7.885 -0.235 25642 797 1 2 . 1 1 105 105 VAL N N 105 125.510 125.510 124.715 0.795 25642 798 1 2 . 1 1 105 105 VAL C C 105 174.530 174.530 173.133 1.397 25642 799 1 2 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.438 0.482 25642 800 1 2 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.002 -0.001 25642 801 1 2 . 1 1 105 105 VAL H H 105 8.670 8.670 8.249 0.421 25642 802 1 2 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.648 1.403 25642 803 1 2 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.621 0.119 25642 804 1 2 . 1 1 106 106 ARG H H 106 8.560 8.560 8.487 0.073 25642 805 1 2 . 1 1 107 107 LEU N N 107 125.820 125.820 125.252 0.568 25642 806 1 2 . 1 1 107 107 LEU C C 107 176.190 176.190 175.246 0.944 25642 807 1 2 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.172 -0.603 25642 808 1 2 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.649 0.481 25642 809 1 2 . 1 1 107 107 LEU H H 107 8.730 8.730 8.180 0.550 25642 810 1 2 . 1 1 108 108 TYR N N 108 120.870 120.870 124.100 -3.230 25642 811 1 2 . 1 1 108 108 TYR C C 108 178.880 178.880 177.028 1.852 25642 812 1 2 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.530 1.000 25642 813 1 2 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.577 -0.797 25642 814 1 2 . 1 1 108 108 TYR H H 108 8.280 8.280 7.772 0.508 25642 815 1 2 . 1 1 109 109 GLY N N 109 112.380 112.380 109.958 2.422 25642 816 1 2 . 1 1 109 109 GLY C C 109 172.330 172.330 175.209 -2.879 25642 817 1 2 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.145 2.135 25642 818 1 2 . 1 1 109 109 GLY H H 109 10.080 10.080 8.841 1.239 25642 819 1 2 . 1 1 110 110 THR N N 110 103.280 103.280 117.263 -13.983 25642 820 1 2 . 1 1 110 110 THR C C 110 175.370 175.370 174.900 0.470 25642 821 1 2 . 1 1 110 110 THR CA C 110 61.220 61.220 62.474 -1.254 25642 822 1 2 . 1 1 110 110 THR CB C 110 70.160 70.160 67.546 2.614 25642 823 1 2 . 1 1 110 110 THR H H 110 6.910 6.910 8.524 -1.614 25642 824 1 2 . 1 1 111 111 SER N N 111 118.040 118.040 116.245 1.795 25642 825 1 2 . 1 1 111 111 SER C C 111 174.740 174.740 173.192 1.548 25642 826 1 2 . 1 1 111 111 SER CA C 111 59.070 59.070 59.797 -0.727 25642 827 1 2 . 1 1 111 111 SER CB C 111 67.870 67.870 64.689 3.181 25642 828 1 2 . 1 1 111 111 SER H H 111 7.960 7.960 7.865 0.095 25642 829 1 2 . 1 1 112 112 TYR N N 112 124.220 124.220 120.278 3.942 25642 830 1 2 . 1 1 112 112 TYR C C 112 174.090 174.090 173.718 0.372 25642 831 1 2 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.452 -0.042 25642 832 1 2 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.454 -1.764 25642 833 1 2 . 1 1 112 112 TYR H H 112 8.720 8.720 7.971 0.749 25642 834 1 2 . 1 1 113 113 VAL N N 113 129.090 129.090 124.582 4.508 25642 835 1 2 . 1 1 113 113 VAL C C 113 173.870 173.870 174.125 -0.255 25642 836 1 2 . 1 1 113 113 VAL CA C 113 61.040 61.040 61.290 -0.250 25642 837 1 2 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.725 0.205 25642 838 1 2 . 1 1 113 113 VAL H H 113 9.640 9.640 7.911 1.729 25642 839 1 2 . 1 1 114 114 ASP N N 114 127.460 127.460 126.404 1.056 25642 840 1 2 . 1 1 114 114 ASP C C 114 176.250 176.250 175.332 0.918 25642 841 1 2 . 1 1 114 114 ASP CA C 114 51.470 51.470 53.102 -1.632 25642 842 1 2 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.634 -0.414 25642 843 1 2 . 1 1 114 114 ASP H H 114 8.630 8.630 8.150 0.480 25642 844 1 2 . 1 1 115 115 GLY N N 115 113.040 113.040 111.097 1.943 25642 845 1 2 . 1 1 115 115 GLY C C 115 171.140 171.140 172.318 -1.178 25642 846 1 2 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.927 0.223 25642 847 1 2 . 1 1 115 115 GLY H H 115 8.880 8.880 8.216 0.664 25642 848 1 2 . 1 1 116 116 ASP N N 116 117.450 117.450 122.634 -5.184 25642 849 1 2 . 1 1 116 116 ASP C C 116 176.850 176.850 175.394 1.456 25642 850 1 2 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.683 -0.323 25642 851 1 2 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.917 0.453 25642 852 1 2 . 1 1 116 116 ASP H H 116 7.390 7.390 8.041 -0.651 25642 853 1 2 . 1 1 117 117 ILE N N 117 121.440 121.440 126.337 -4.897 25642 854 1 2 . 1 1 117 117 ILE C C 117 176.780 176.780 174.860 1.920 25642 855 1 2 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.126 0.594 25642 856 1 2 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.269 -1.639 25642 857 1 2 . 1 1 117 117 ILE H H 117 9.200 9.200 7.992 1.208 25642 858 1 2 . 1 1 118 118 THR N N 118 131.550 131.550 123.169 8.381 25642 859 1 2 . 1 1 118 118 THR C C 118 173.630 173.630 172.995 0.635 25642 860 1 2 . 1 1 118 118 THR CA C 118 62.110 62.110 61.366 0.744 25642 861 1 2 . 1 1 118 118 THR CB C 118 67.860 67.860 69.209 -1.349 25642 862 1 2 . 1 1 118 118 THR H H 118 9.560 9.560 8.534 1.026 25642 863 1 2 . 1 1 119 119 HIS N N 119 121.300 121.300 123.496 -2.196 25642 864 1 2 . 1 1 119 119 HIS C C 119 174.780 174.780 174.168 0.612 25642 865 1 2 . 1 1 119 119 HIS CA C 119 55.850 55.850 52.711 3.139 25642 866 1 2 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.438 1.112 25642 867 1 2 . 1 1 119 119 HIS H H 119 8.290 8.290 8.051 0.239 25642 868 1 2 . 1 1 120 120 GLU N N 120 118.130 118.130 119.449 -1.319 25642 869 1 2 . 1 1 120 120 GLU C C 120 177.120 177.120 177.024 0.096 25642 870 1 2 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.370 1.409 25642 871 1 2 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.895 -0.596 25642 872 1 2 . 1 1 120 120 GLU H H 120 7.710 7.710 8.552 -0.842 25642 873 1 2 . 1 1 121 121 GLN N N 121 117.670 117.670 117.858 -0.188 25642 874 1 2 . 1 1 121 121 GLN C C 121 172.760 172.760 174.170 -1.410 25642 875 1 2 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.962 0.919 25642 876 1 2 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.169 1.411 25642 877 1 2 . 1 1 121 121 GLN H H 121 8.950 8.950 8.008 0.942 25642 878 1 2 . 1 1 122 122 LEU N N 122 126.250 126.250 118.068 8.182 25642 879 1 2 . 1 1 122 122 LEU C C 122 173.300 173.300 175.315 -2.015 25642 880 1 2 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.285 0.535 25642 881 1 2 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.933 -0.483 25642 882 1 2 . 1 1 122 122 LEU H H 122 8.660 8.660 8.247 0.413 25642 883 1 2 . 1 1 123 123 ALA N N 123 126.670 126.670 124.946 1.724 25642 884 1 2 . 1 1 123 123 ALA C C 123 175.940 175.940 175.803 0.137 25642 885 1 2 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.448 -1.878 25642 886 1 2 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.296 0.055 25642 887 1 2 . 1 1 123 123 ALA H H 123 8.090 8.090 8.440 -0.350 25642 888 1 2 . 1 1 124 124 MET N N 124 119.800 119.800 120.682 -0.882 25642 889 1 2 . 1 1 124 124 MET C C 124 174.960 174.960 175.202 -0.242 25642 890 1 2 . 1 1 124 124 MET CA C 124 54.770 54.770 53.681 1.089 25642 891 1 2 . 1 1 124 124 MET CB C 124 37.620 37.620 32.438 5.182 25642 892 1 2 . 1 1 124 124 MET H H 124 8.810 8.810 8.492 0.318 25642 893 1 2 . 1 1 125 125 GLU N N 125 125.500 125.500 123.991 1.509 25642 894 1 2 . 1 1 125 125 GLU C C 125 175.410 175.410 176.116 -0.706 25642 895 1 2 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.371 0.299 25642 896 1 2 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.697 -0.187 25642 897 1 2 . 1 1 125 125 GLU H H 125 8.760 8.760 7.941 0.819 25642 898 1 2 . 1 1 126 126 THR N N 126 118.440 118.440 114.949 3.491 25642 899 1 2 . 1 1 126 126 THR C C 126 174.300 174.300 175.325 -1.025 25642 900 1 2 . 1 1 126 126 THR CA C 126 65.870 65.870 64.687 1.183 25642 901 1 2 . 1 1 126 126 THR CB C 126 69.050 69.050 69.064 -0.014 25642 902 1 2 . 1 1 127 127 GLY N N 127 116.970 116.970 112.557 4.413 25642 903 1 2 . 1 1 127 127 GLY C C 127 175.320 175.320 173.073 2.247 25642 904 1 2 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.968 0.032 25642 905 1 2 . 1 1 128 128 ALA N N 128 124.190 124.190 123.703 0.487 25642 906 1 2 . 1 1 128 128 ALA C C 128 177.670 177.670 175.859 1.811 25642 907 1 2 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.527 2.113 25642 908 1 2 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.621 0.129 25642 909 1 2 . 1 1 128 128 ALA H H 128 7.930 7.930 7.415 0.515 25642 910 1 2 . 1 1 129 129 PHE N N 129 127.300 127.300 126.097 1.203 25642 911 1 2 . 1 1 129 129 PHE C C 129 173.400 173.400 173.052 0.348 25642 912 1 2 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.526 0.364 25642 913 1 2 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.391 -0.871 25642 914 1 2 . 1 1 129 129 PHE H H 129 8.550 8.550 8.062 0.488 25642 915 1 2 . 1 1 130 130 PHE N N 130 131.220 131.220 120.283 10.937 25642 916 1 2 . 1 1 130 130 PHE C C 130 173.550 173.550 174.032 -0.482 25642 917 1 2 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.557 -2.187 25642 918 1 2 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.569 -1.109 25642 919 1 2 . 1 1 130 130 PHE H H 130 8.860 8.860 7.577 1.283 25642 920 1 2 . 1 1 131 131 GLN N N 131 130.230 130.230 124.738 5.492 25642 921 1 2 . 1 1 131 131 GLN C C 131 173.350 173.350 174.592 -1.242 25642 922 1 2 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.628 -1.208 25642 923 1 2 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.564 2.436 25642 924 1 2 . 1 1 131 131 GLN H H 131 8.840 8.840 8.437 0.403 25642 925 1 2 . 1 1 132 132 GLY N N 132 112.460 112.460 109.629 2.831 25642 926 1 2 . 1 1 132 132 GLY C C 132 172.750 172.750 172.683 0.067 25642 927 1 2 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.997 -0.527 25642 928 1 2 . 1 1 133 133 ARG N N 133 119.950 119.950 121.003 -1.053 25642 929 1 2 . 1 1 133 133 ARG C C 133 173.910 173.910 175.635 -1.725 25642 930 1 2 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.763 0.107 25642 931 1 2 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.774 1.416 25642 932 1 2 . 1 1 133 133 ARG H H 133 8.470 8.470 8.249 0.221 25642 933 1 2 . 1 1 134 134 SER N N 134 119.120 119.120 119.552 -0.432 25642 934 1 2 . 1 1 134 134 SER C C 134 174.260 174.260 173.694 0.566 25642 935 1 2 . 1 1 134 134 SER CA C 134 57.140 57.140 57.916 -0.776 25642 936 1 2 . 1 1 134 134 SER CB C 134 63.450 63.450 64.589 -1.139 25642 937 1 2 . 1 1 134 134 SER H H 134 8.680 8.680 8.558 0.122 25642 938 1 2 . 1 1 135 135 LEU N N 135 127.740 127.740 126.426 1.314 25642 939 1 2 . 1 1 135 135 LEU C C 135 174.990 174.990 174.826 0.164 25642 940 1 2 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.425 -1.205 25642 941 1 2 . 1 1 135 135 LEU CB C 135 45.180 45.180 44.428 0.752 25642 942 1 2 . 1 1 135 135 LEU H H 135 8.560 8.560 8.234 0.326 25642 943 1 2 . 1 1 136 136 LYS N N 136 118.190 118.190 125.418 -7.228 25642 944 1 2 . 1 1 136 136 LYS C C 136 178.030 178.030 176.576 1.454 25642 945 1 2 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.338 -3.278 25642 946 1 2 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.731 -0.721 25642 947 1 2 . 1 1 136 136 LYS H H 136 8.180 8.180 8.476 -0.296 25642 948 1 2 . 1 1 137 137 PHE N N 137 121.570 121.570 127.863 -6.293 25642 949 1 2 . 1 1 137 137 PHE C C 137 176.370 176.370 175.183 1.187 25642 950 1 2 . 1 1 137 137 PHE CA C 137 58.940 58.940 59.638 -0.698 25642 951 1 2 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.148 0.582 25642 952 1 2 . 1 1 137 137 PHE H H 137 7.800 7.800 8.479 -0.679 25642 953 1 2 . 1 1 138 138 GLN N N 138 123.070 123.070 126.140 -3.070 25642 954 1 2 . 1 1 138 138 GLN H H 138 8.560 8.560 8.172 0.388 25642 955 1 3 . 1 1 38 38 VAL C C 38 175.900 175.900 175.708 0.192 25642 956 1 3 . 1 1 39 39 ALA N N 39 130.020 130.020 118.898 11.122 25642 957 1 3 . 1 1 39 39 ALA C C 39 177.440 177.440 176.826 0.614 25642 958 1 3 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.154 1.226 25642 959 1 3 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.453 -0.633 25642 960 1 3 . 1 1 39 39 ALA H H 39 8.200 8.200 7.711 0.489 25642 961 1 3 . 1 1 40 40 SER N N 40 115.080 115.080 119.197 -4.117 25642 962 1 3 . 1 1 40 40 SER C C 40 173.460 173.460 172.835 0.625 25642 963 1 3 . 1 1 40 40 SER CA C 40 60.040 60.040 57.348 2.692 25642 964 1 3 . 1 1 40 40 SER CB C 40 66.420 66.420 65.366 1.054 25642 965 1 3 . 1 1 40 40 SER H H 40 7.970 7.970 8.283 -0.313 25642 966 1 3 . 1 1 41 41 LEU N N 41 127.860 127.860 126.989 0.871 25642 967 1 3 . 1 1 41 41 LEU C C 41 174.130 174.130 176.679 -2.549 25642 968 1 3 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.243 0.417 25642 969 1 3 . 1 1 41 41 LEU CB C 41 46.300 46.300 42.959 3.341 25642 970 1 3 . 1 1 41 41 LEU H H 41 9.490 9.490 8.677 0.813 25642 971 1 3 . 1 1 42 42 LEU N N 42 126.730 126.730 127.150 -0.420 25642 972 1 3 . 1 1 42 42 LEU C C 42 175.120 175.120 176.090 -0.970 25642 973 1 3 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.528 -0.818 25642 974 1 3 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.999 -1.539 25642 975 1 3 . 1 1 42 42 LEU H H 42 8.640 8.640 8.664 -0.024 25642 976 1 3 . 1 1 43 43 SER N N 43 123.530 123.530 121.536 1.994 25642 977 1 3 . 1 1 43 43 SER C C 43 172.810 172.810 175.453 -2.643 25642 978 1 3 . 1 1 43 43 SER CA C 43 58.990 58.990 58.346 0.644 25642 979 1 3 . 1 1 43 43 SER CB C 43 64.200 64.200 64.259 -0.059 25642 980 1 3 . 1 1 43 43 SER H H 43 9.060 9.060 8.728 0.332 25642 981 1 3 . 1 1 44 44 ALA N N 44 119.250 119.250 120.979 -1.729 25642 982 1 3 . 1 1 44 44 ALA C C 44 177.720 177.720 178.572 -0.852 25642 983 1 3 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.697 0.303 25642 984 1 3 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.804 -0.074 25642 985 1 3 . 1 1 44 44 ALA H H 44 8.490 8.490 8.469 0.021 25642 986 1 3 . 1 1 45 45 ASP N N 45 114.450 114.450 117.391 -2.941 25642 987 1 3 . 1 1 45 45 ASP C C 45 175.800 175.800 175.393 0.407 25642 988 1 3 . 1 1 45 45 ASP CA C 45 53.980 53.980 55.069 -1.089 25642 989 1 3 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.345 1.335 25642 990 1 3 . 1 1 45 45 ASP H H 45 8.080 8.080 7.856 0.224 25642 991 1 3 . 1 1 46 46 LEU N N 46 122.200 122.200 121.100 1.100 25642 992 1 3 . 1 1 46 46 LEU C C 46 176.290 176.290 175.757 0.533 25642 993 1 3 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.285 0.335 25642 994 1 3 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.219 2.741 25642 995 1 3 . 1 1 46 46 LEU H H 46 7.860 7.860 7.142 0.718 25642 996 1 3 . 1 1 47 47 THR N N 47 119.850 119.850 118.731 1.119 25642 997 1 3 . 1 1 47 47 THR C C 47 174.140 174.140 174.143 -0.003 25642 998 1 3 . 1 1 47 47 THR CA C 47 61.650 61.650 60.552 1.098 25642 999 1 3 . 1 1 47 47 THR CB C 47 71.210 71.210 69.523 1.687 25642 1000 1 3 . 1 1 47 47 THR H H 47 9.000 9.000 8.340 0.660 25642 1001 1 3 . 1 1 48 48 ILE N N 48 128.090 128.090 128.559 -0.469 25642 1002 1 3 . 1 1 48 48 ILE C C 48 174.810 174.810 175.003 -0.193 25642 1003 1 3 . 1 1 48 48 ILE CA C 48 59.150 59.150 61.345 -2.195 25642 1004 1 3 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.869 1.241 25642 1005 1 3 . 1 1 48 48 ILE H H 48 9.330 9.330 8.124 1.206 25642 1006 1 3 . 1 1 49 49 GLU N N 49 129.080 129.080 124.304 4.776 25642 1007 1 3 . 1 1 49 49 GLU C C 49 175.160 175.160 177.047 -1.887 25642 1008 1 3 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.486 -0.986 25642 1009 1 3 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.944 -2.584 25642 1010 1 3 . 1 1 49 49 GLU H H 49 8.830 8.830 8.444 0.386 25642 1011 1 3 . 1 1 50 50 GLY N N 50 114.250 114.250 114.424 -0.174 25642 1012 1 3 . 1 1 50 50 GLY C C 50 170.510 170.510 173.458 -2.948 25642 1013 1 3 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.208 -0.148 25642 1014 1 3 . 1 1 50 50 GLY H H 50 8.320 8.320 8.627 -0.307 25642 1015 1 3 . 1 1 51 51 GLY N N 51 102.740 102.740 109.322 -6.582 25642 1016 1 3 . 1 1 51 51 GLY C C 51 174.230 174.230 173.480 0.750 25642 1017 1 3 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.262 -0.382 25642 1018 1 3 . 1 1 51 51 GLY H H 51 8.000 8.000 7.703 0.297 25642 1019 1 3 . 1 1 52 52 VAL N N 52 122.770 122.770 119.359 3.411 25642 1020 1 3 . 1 1 52 52 VAL C C 52 175.290 175.290 174.674 0.616 25642 1021 1 3 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.824 1.346 25642 1022 1 3 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.040 0.910 25642 1023 1 3 . 1 1 52 52 VAL H H 52 8.550 8.550 7.990 0.560 25642 1024 1 3 . 1 1 53 53 THR N N 53 121.860 121.860 116.833 5.027 25642 1025 1 3 . 1 1 53 53 THR C C 53 173.790 173.790 174.073 -0.283 25642 1026 1 3 . 1 1 53 53 THR CA C 53 60.580 60.580 60.366 0.214 25642 1027 1 3 . 1 1 53 53 THR CB C 53 72.310 72.310 70.074 2.236 25642 1028 1 3 . 1 1 53 53 THR H H 53 9.150 9.150 8.295 0.855 25642 1029 1 3 . 1 1 54 54 GLY N N 54 112.960 112.960 116.263 -3.303 25642 1030 1 3 . 1 1 54 54 GLY C C 54 172.530 172.530 173.264 -0.734 25642 1031 1 3 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.877 -0.007 25642 1032 1 3 . 1 1 54 54 GLY H H 54 9.080 9.080 8.320 0.760 25642 1033 1 3 . 1 1 55 55 GLU N N 55 118.200 118.200 122.267 -4.067 25642 1034 1 3 . 1 1 55 55 GLU C C 55 177.350 177.350 177.113 0.237 25642 1035 1 3 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.324 -1.224 25642 1036 1 3 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.302 0.838 25642 1037 1 3 . 1 1 55 55 GLU H H 55 8.790 8.790 8.556 0.234 25642 1038 1 3 . 1 1 56 56 GLY N N 56 109.740 109.740 107.593 2.147 25642 1039 1 3 . 1 1 56 56 GLY C C 56 173.400 173.400 173.040 0.360 25642 1040 1 3 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.431 0.259 25642 1041 1 3 . 1 1 56 56 GLY H H 56 8.580 8.580 8.265 0.315 25642 1042 1 3 . 1 1 57 57 GLU N N 57 122.180 122.180 120.766 1.414 25642 1043 1 3 . 1 1 57 57 GLU C C 57 175.970 175.970 175.128 0.842 25642 1044 1 3 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.537 -0.437 25642 1045 1 3 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.805 -0.035 25642 1046 1 3 . 1 1 57 57 GLU H H 57 8.810 8.810 8.213 0.597 25642 1047 1 3 . 1 1 58 58 LEU N N 58 126.040 126.040 128.283 -2.243 25642 1048 1 3 . 1 1 58 58 LEU C C 58 173.100 173.100 174.151 -1.051 25642 1049 1 3 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.092 -0.412 25642 1050 1 3 . 1 1 58 58 LEU CB C 58 46.440 46.440 45.228 1.212 25642 1051 1 3 . 1 1 58 58 LEU H H 58 8.720 8.720 8.455 0.265 25642 1052 1 3 . 1 1 59 59 GLN N N 59 127.940 127.940 128.549 -0.609 25642 1053 1 3 . 1 1 59 59 GLN C C 59 174.540 174.540 174.120 0.420 25642 1054 1 3 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.361 -0.521 25642 1055 1 3 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.543 0.248 25642 1056 1 3 . 1 1 59 59 GLN H H 59 8.400 8.400 8.498 -0.098 25642 1057 1 3 . 1 1 60 60 ILE N N 60 124.610 124.610 127.741 -3.131 25642 1058 1 3 . 1 1 60 60 ILE C C 60 174.340 174.340 173.272 1.068 25642 1059 1 3 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.080 2.250 25642 1060 1 3 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.262 -0.512 25642 1061 1 3 . 1 1 60 60 ILE H H 60 9.100 9.100 8.330 0.770 25642 1062 1 3 . 1 1 61 61 ASP N N 61 127.350 127.350 126.669 0.681 25642 1063 1 3 . 1 1 61 61 ASP C C 61 176.210 176.210 174.703 1.507 25642 1064 1 3 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.949 0.951 25642 1065 1 3 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.793 1.687 25642 1066 1 3 . 1 1 61 61 ASP H H 61 9.070 9.070 8.805 0.265 25642 1067 1 3 . 1 1 62 62 GLY N N 62 110.340 110.340 107.059 3.281 25642 1068 1 3 . 1 1 62 62 GLY C C 62 170.870 170.870 172.242 -1.372 25642 1069 1 3 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.941 0.549 25642 1070 1 3 . 1 1 62 62 GLY H H 62 6.590 6.590 7.796 -1.206 25642 1071 1 3 . 1 1 63 63 VAL N N 63 122.570 122.570 119.812 2.758 25642 1072 1 3 . 1 1 63 63 VAL C C 63 176.030 176.030 174.701 1.329 25642 1073 1 3 . 1 1 63 63 VAL CA C 63 61.010 61.010 61.741 -0.731 25642 1074 1 3 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.951 1.899 25642 1075 1 3 . 1 1 63 63 VAL H H 63 8.070 8.070 7.771 0.299 25642 1076 1 3 . 1 1 64 64 VAL N N 64 125.470 125.470 128.450 -2.980 25642 1077 1 3 . 1 1 64 64 VAL C C 64 174.410 174.410 173.758 0.652 25642 1078 1 3 . 1 1 64 64 VAL CA C 64 61.220 61.220 60.225 0.995 25642 1079 1 3 . 1 1 64 64 VAL CB C 64 35.690 35.690 33.574 2.116 25642 1080 1 3 . 1 1 64 64 VAL H H 64 9.010 9.010 8.129 0.881 25642 1081 1 3 . 1 1 65 65 LYS N N 65 129.120 129.120 128.676 0.444 25642 1082 1 3 . 1 1 65 65 LYS C C 65 175.120 175.120 176.009 -0.889 25642 1083 1 3 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.434 -0.123 25642 1084 1 3 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.544 -3.103 25642 1085 1 3 . 1 1 65 65 LYS H H 65 9.150 9.150 8.001 1.149 25642 1086 1 3 . 1 1 66 66 GLY N N 66 115.020 115.020 111.565 3.455 25642 1087 1 3 . 1 1 66 66 GLY C C 66 170.210 170.210 172.491 -2.281 25642 1088 1 3 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.508 -0.028 25642 1089 1 3 . 1 1 66 66 GLY H H 66 8.300 8.300 7.951 0.349 25642 1090 1 3 . 1 1 67 67 ASP N N 67 115.420 115.420 123.330 -7.910 25642 1091 1 3 . 1 1 67 67 ASP C C 67 176.920 176.920 175.859 1.061 25642 1092 1 3 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.706 -0.376 25642 1093 1 3 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.230 -0.280 25642 1094 1 3 . 1 1 67 67 ASP H H 67 7.690 7.690 8.257 -0.567 25642 1095 1 3 . 1 1 68 68 VAL N N 68 122.440 122.440 125.973 -3.533 25642 1096 1 3 . 1 1 68 68 VAL C C 68 174.450 174.450 174.207 0.243 25642 1097 1 3 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.532 -0.562 25642 1098 1 3 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.291 1.949 25642 1099 1 3 . 1 1 68 68 VAL H H 68 8.930 8.930 8.258 0.672 25642 1100 1 3 . 1 1 69 69 ARG N N 69 130.610 130.610 128.766 1.844 25642 1101 1 3 . 1 1 69 69 ARG C C 69 175.150 175.150 174.569 0.581 25642 1102 1 3 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.611 0.209 25642 1103 1 3 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.313 -0.313 25642 1104 1 3 . 1 1 69 69 ARG H H 69 9.110 9.110 8.540 0.570 25642 1105 1 3 . 1 1 70 70 VAL N N 70 114.530 114.530 124.778 -10.248 25642 1106 1 3 . 1 1 70 70 VAL C C 70 175.440 175.440 174.637 0.803 25642 1107 1 3 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.758 -2.358 25642 1108 1 3 . 1 1 70 70 VAL CB C 70 35.370 35.370 36.693 -1.323 25642 1109 1 3 . 1 1 70 70 VAL H H 70 8.290 8.290 7.913 0.377 25642 1110 1 3 . 1 1 71 71 GLY N N 71 108.150 108.150 109.607 -1.457 25642 1111 1 3 . 1 1 71 71 GLY C C 71 174.710 174.710 173.837 0.873 25642 1112 1 3 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.528 1.372 25642 1113 1 3 . 1 1 71 71 GLY H H 71 8.110 8.110 8.597 -0.487 25642 1114 1 3 . 1 1 72 72 ARG N N 72 120.660 120.660 119.200 1.460 25642 1115 1 3 . 1 1 72 72 ARG C C 72 173.620 173.620 173.881 -0.261 25642 1116 1 3 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.587 0.732 25642 1117 1 3 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.908 0.872 25642 1118 1 3 . 1 1 72 72 ARG H H 72 7.690 7.690 7.730 -0.040 25642 1119 1 3 . 1 1 73 73 LEU N N 73 125.710 125.710 128.362 -2.652 25642 1120 1 3 . 1 1 73 73 LEU C C 73 175.230 175.230 175.015 0.215 25642 1121 1 3 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.625 -1.075 25642 1122 1 3 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.642 1.888 25642 1123 1 3 . 1 1 73 73 LEU H H 73 8.570 8.570 8.683 -0.113 25642 1124 1 3 . 1 1 74 74 THR N N 74 123.150 123.150 124.545 -1.395 25642 1125 1 3 . 1 1 74 74 THR C C 74 173.670 173.670 173.826 -0.156 25642 1126 1 3 . 1 1 74 74 THR CA C 74 61.480 61.480 61.843 -0.363 25642 1127 1 3 . 1 1 74 74 THR CB C 74 70.710 70.710 69.824 0.886 25642 1128 1 3 . 1 1 74 74 THR H H 74 8.860 8.860 8.548 0.312 25642 1129 1 3 . 1 1 75 75 VAL N N 75 127.890 127.890 128.066 -0.176 25642 1130 1 3 . 1 1 75 75 VAL C C 75 176.800 176.800 176.705 0.095 25642 1131 1 3 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.442 -1.312 25642 1132 1 3 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.103 1.737 25642 1133 1 3 . 1 1 75 75 VAL H H 75 8.910 8.910 8.190 0.720 25642 1134 1 3 . 1 1 76 76 GLY N N 76 116.590 116.590 116.206 0.384 25642 1135 1 3 . 1 1 76 76 GLY C C 76 174.060 174.060 174.320 -0.260 25642 1136 1 3 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.299 -0.069 25642 1137 1 3 . 1 1 76 76 GLY H H 76 8.980 8.980 9.054 -0.074 25642 1138 1 3 . 1 1 77 77 GLU N N 77 121.140 121.140 118.379 2.761 25642 1139 1 3 . 1 1 77 77 GLU C C 77 178.620 178.620 178.369 0.251 25642 1140 1 3 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.258 2.243 25642 1141 1 3 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.034 0.086 25642 1142 1 3 . 1 1 77 77 GLU H H 77 9.260 9.260 8.534 0.726 25642 1143 1 3 . 1 1 78 78 THR N N 78 105.330 105.330 113.520 -8.190 25642 1144 1 3 . 1 1 78 78 THR C C 78 174.990 174.990 175.673 -0.683 25642 1145 1 3 . 1 1 78 78 THR CA C 78 62.040 62.040 64.345 -2.305 25642 1146 1 3 . 1 1 78 78 THR CB C 78 69.880 69.880 68.547 1.333 25642 1147 1 3 . 1 1 78 78 THR H H 78 8.010 8.010 8.059 -0.049 25642 1148 1 3 . 1 1 79 79 GLY N N 79 111.420 111.420 109.522 1.898 25642 1149 1 3 . 1 1 79 79 GLY C C 79 174.270 174.270 174.329 -0.059 25642 1150 1 3 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.101 -0.851 25642 1151 1 3 . 1 1 79 79 GLY H H 79 8.240 8.240 8.433 -0.193 25642 1152 1 3 . 1 1 80 80 HIS N N 80 123.970 123.970 118.347 5.623 25642 1153 1 3 . 1 1 80 80 HIS C C 80 173.800 173.800 173.827 -0.027 25642 1154 1 3 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.809 -0.949 25642 1155 1 3 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.354 3.716 25642 1156 1 3 . 1 1 80 80 HIS H H 80 8.860 8.860 7.657 1.203 25642 1157 1 3 . 1 1 81 81 VAL N N 81 125.720 125.720 125.686 0.034 25642 1158 1 3 . 1 1 81 81 VAL C C 81 174.580 174.580 173.952 0.628 25642 1159 1 3 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.263 -1.603 25642 1160 1 3 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.831 0.029 25642 1161 1 3 . 1 1 81 81 VAL H H 81 8.900 8.900 8.090 0.810 25642 1162 1 3 . 1 1 82 82 GLU N N 82 129.500 129.500 127.027 2.473 25642 1163 1 3 . 1 1 82 82 GLU C C 82 175.200 175.200 175.870 -0.670 25642 1164 1 3 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.970 -1.070 25642 1165 1 3 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.403 -1.533 25642 1166 1 3 . 1 1 82 82 GLU H H 82 9.270 9.270 8.303 0.967 25642 1167 1 3 . 1 1 83 83 GLY N N 83 114.070 114.070 112.225 1.845 25642 1168 1 3 . 1 1 83 83 GLY C C 83 171.310 171.310 172.109 -0.799 25642 1169 1 3 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.368 -0.418 25642 1170 1 3 . 1 1 83 83 GLY H H 83 8.450 8.450 8.078 0.372 25642 1171 1 3 . 1 1 84 84 SER N N 84 113.810 113.810 117.625 -3.815 25642 1172 1 3 . 1 1 84 84 SER C C 84 173.140 173.140 173.860 -0.720 25642 1173 1 3 . 1 1 84 84 SER CA C 84 57.720 57.720 57.299 0.421 25642 1174 1 3 . 1 1 84 84 SER CB C 84 64.950 64.950 63.937 1.013 25642 1175 1 3 . 1 1 84 84 SER H H 84 8.320 8.320 8.074 0.246 25642 1176 1 3 . 1 1 85 85 VAL N N 85 121.060 121.060 127.986 -6.926 25642 1177 1 3 . 1 1 85 85 VAL C C 85 174.960 174.960 174.203 0.757 25642 1178 1 3 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.773 -1.353 25642 1179 1 3 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.982 1.918 25642 1180 1 3 . 1 1 85 85 VAL H H 85 8.730 8.730 8.373 0.357 25642 1181 1 3 . 1 1 86 86 TYR N N 86 129.090 129.090 126.412 2.678 25642 1182 1 3 . 1 1 86 86 TYR C C 86 174.420 174.420 174.457 -0.037 25642 1183 1 3 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.544 -0.084 25642 1184 1 3 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.954 -0.104 25642 1185 1 3 . 1 1 86 86 TYR H H 86 9.580 9.580 8.796 0.784 25642 1186 1 3 . 1 1 87 87 ALA N N 87 122.670 122.670 126.131 -3.461 25642 1187 1 3 . 1 1 87 87 ALA C C 87 177.320 177.320 175.441 1.879 25642 1188 1 3 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.130 0.130 25642 1189 1 3 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.990 0.460 25642 1190 1 3 . 1 1 87 87 ALA H H 87 8.080 8.080 8.296 -0.216 25642 1191 1 3 . 1 1 88 88 GLU N N 88 120.180 120.180 118.658 1.522 25642 1192 1 3 . 1 1 88 88 GLU C C 88 177.310 177.310 176.398 0.912 25642 1193 1 3 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.079 1.111 25642 1194 1 3 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.361 -1.711 25642 1195 1 3 . 1 1 88 88 GLU H H 88 8.640 8.640 8.285 0.355 25642 1196 1 3 . 1 1 89 89 ALA N N 89 118.770 118.770 120.035 -1.265 25642 1197 1 3 . 1 1 89 89 ALA C C 89 175.890 175.890 175.166 0.724 25642 1198 1 3 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.435 1.075 25642 1199 1 3 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.708 -0.438 25642 1200 1 3 . 1 1 89 89 ALA H H 89 7.340 7.340 7.969 -0.629 25642 1201 1 3 . 1 1 90 90 VAL N N 90 119.720 119.720 122.668 -2.948 25642 1202 1 3 . 1 1 90 90 VAL C C 90 174.710 174.710 174.647 0.063 25642 1203 1 3 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.831 -0.311 25642 1204 1 3 . 1 1 90 90 VAL CB C 90 35.990 35.990 34.205 1.785 25642 1205 1 3 . 1 1 90 90 VAL H H 90 8.490 8.490 8.066 0.424 25642 1206 1 3 . 1 1 91 91 GLU N N 91 128.200 128.200 128.051 0.149 25642 1207 1 3 . 1 1 91 91 GLU C C 91 175.470 175.470 175.757 -0.287 25642 1208 1 3 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.991 -0.201 25642 1209 1 3 . 1 1 91 91 GLU CB C 91 32.680 32.680 30.685 1.995 25642 1210 1 3 . 1 1 91 91 GLU H H 91 9.070 9.070 8.182 0.888 25642 1211 1 3 . 1 1 92 92 VAL N N 92 122.080 122.080 125.089 -3.009 25642 1212 1 3 . 1 1 92 92 VAL C C 92 174.490 174.490 175.292 -0.802 25642 1213 1 3 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.161 0.499 25642 1214 1 3 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.150 0.940 25642 1215 1 3 . 1 1 92 92 VAL H H 92 9.450 9.450 8.177 1.273 25642 1216 1 3 . 1 1 93 93 ARG N N 93 123.900 123.900 125.181 -1.281 25642 1217 1 3 . 1 1 93 93 ARG C C 93 176.280 176.280 174.880 1.400 25642 1218 1 3 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.328 0.962 25642 1219 1 3 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.837 -0.947 25642 1220 1 3 . 1 1 93 93 ARG H H 93 9.200 9.200 8.224 0.976 25642 1221 1 3 . 1 1 94 94 GLY N N 94 111.100 111.100 105.653 5.447 25642 1222 1 3 . 1 1 94 94 GLY C C 94 170.710 170.710 172.122 -1.412 25642 1223 1 3 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.924 0.866 25642 1224 1 3 . 1 1 94 94 GLY H H 94 6.250 6.250 8.059 -1.809 25642 1225 1 3 . 1 1 95 95 ARG N N 95 126.190 126.190 119.696 6.494 25642 1226 1 3 . 1 1 95 95 ARG C C 95 175.570 175.570 174.483 1.087 25642 1227 1 3 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.702 -1.032 25642 1228 1 3 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.503 1.417 25642 1229 1 3 . 1 1 95 95 ARG H H 95 8.140 8.140 7.755 0.385 25642 1230 1 3 . 1 1 96 96 VAL N N 96 124.800 124.800 123.474 1.326 25642 1231 1 3 . 1 1 96 96 VAL C C 96 174.070 174.070 173.166 0.904 25642 1232 1 3 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.951 1.209 25642 1233 1 3 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.176 0.684 25642 1234 1 3 . 1 1 96 96 VAL H H 96 9.430 9.430 8.825 0.605 25642 1235 1 3 . 1 1 97 97 VAL N N 97 128.010 128.010 123.314 4.696 25642 1236 1 3 . 1 1 97 97 VAL C C 97 176.430 176.430 174.285 2.145 25642 1237 1 3 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.801 1.279 25642 1238 1 3 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.972 -0.342 25642 1239 1 3 . 1 1 97 97 VAL H H 97 9.260 9.260 8.569 0.691 25642 1240 1 3 . 1 1 98 98 GLY N N 98 116.340 116.340 114.670 1.670 25642 1241 1 3 . 1 1 98 98 GLY C C 98 171.770 171.770 172.080 -0.310 25642 1242 1 3 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.135 -0.245 25642 1243 1 3 . 1 1 98 98 GLY H H 98 8.600 8.600 8.444 0.156 25642 1244 1 3 . 1 1 99 99 ALA N N 99 124.110 124.110 123.604 0.506 25642 1245 1 3 . 1 1 99 99 ALA C C 99 176.060 176.060 174.550 1.510 25642 1246 1 3 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.874 -0.184 25642 1247 1 3 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.384 -0.684 25642 1248 1 3 . 1 1 99 99 ALA H H 99 8.110 8.110 7.841 0.269 25642 1249 1 3 . 1 1 100 100 ILE N N 100 119.340 119.340 123.291 -3.951 25642 1250 1 3 . 1 1 100 100 ILE C C 100 174.770 174.770 173.347 1.423 25642 1251 1 3 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.779 0.841 25642 1252 1 3 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.740 0.580 25642 1253 1 3 . 1 1 100 100 ILE H H 100 8.910 8.910 8.170 0.740 25642 1254 1 3 . 1 1 101 101 THR N N 101 127.010 127.010 125.594 1.416 25642 1255 1 3 . 1 1 101 101 THR C C 101 173.980 173.980 173.376 0.604 25642 1256 1 3 . 1 1 101 101 THR CA C 101 61.620 61.620 60.977 0.643 25642 1257 1 3 . 1 1 101 101 THR CB C 101 69.700 69.700 71.212 -1.512 25642 1258 1 3 . 1 1 101 101 THR H H 101 8.950 8.950 8.777 0.173 25642 1259 1 3 . 1 1 102 102 SER N N 102 119.870 119.870 119.332 0.538 25642 1260 1 3 . 1 1 102 102 SER C C 102 174.000 174.000 173.056 0.944 25642 1261 1 3 . 1 1 102 102 SER CA C 102 56.190 56.190 57.465 -1.275 25642 1262 1 3 . 1 1 102 102 SER CB C 102 64.710 64.710 65.626 -0.916 25642 1263 1 3 . 1 1 102 102 SER H H 102 8.800 8.800 8.599 0.201 25642 1264 1 3 . 1 1 103 103 LYS N N 103 124.650 124.650 119.968 4.682 25642 1265 1 3 . 1 1 103 103 LYS C C 103 177.200 177.200 176.404 0.796 25642 1266 1 3 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.993 3.307 25642 1267 1 3 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.253 -0.743 25642 1268 1 3 . 1 1 103 103 LYS H H 103 7.560 7.560 8.593 -1.033 25642 1269 1 3 . 1 1 104 104 GLN N N 104 115.370 115.370 117.942 -2.572 25642 1270 1 3 . 1 1 104 104 GLN C C 104 174.650 174.650 174.226 0.424 25642 1271 1 3 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.589 0.271 25642 1272 1 3 . 1 1 104 104 GLN CB C 104 31.880 31.880 31.688 0.192 25642 1273 1 3 . 1 1 104 104 GLN H H 104 7.650 7.650 8.064 -0.414 25642 1274 1 3 . 1 1 105 105 VAL N N 105 125.510 125.510 126.473 -0.963 25642 1275 1 3 . 1 1 105 105 VAL C C 105 174.530 174.530 174.302 0.228 25642 1276 1 3 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.526 -0.606 25642 1277 1 3 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.105 -0.104 25642 1278 1 3 . 1 1 105 105 VAL H H 105 8.670 8.670 8.332 0.338 25642 1279 1 3 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.211 0.839 25642 1280 1 3 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.050 0.690 25642 1281 1 3 . 1 1 106 106 ARG H H 106 8.560 8.560 8.716 -0.156 25642 1282 1 3 . 1 1 107 107 LEU N N 107 125.820 125.820 127.099 -1.279 25642 1283 1 3 . 1 1 107 107 LEU C C 107 176.190 176.190 175.243 0.947 25642 1284 1 3 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.218 -0.648 25642 1285 1 3 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.660 0.470 25642 1286 1 3 . 1 1 107 107 LEU H H 107 8.730 8.730 8.190 0.540 25642 1287 1 3 . 1 1 108 108 TYR N N 108 120.870 120.870 123.756 -2.886 25642 1288 1 3 . 1 1 108 108 TYR C C 108 178.880 178.880 177.451 1.429 25642 1289 1 3 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.546 0.984 25642 1290 1 3 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.580 -0.800 25642 1291 1 3 . 1 1 108 108 TYR H H 108 8.280 8.280 7.812 0.468 25642 1292 1 3 . 1 1 109 109 GLY N N 109 112.380 112.380 111.119 1.261 25642 1293 1 3 . 1 1 109 109 GLY C C 109 172.330 172.330 175.495 -3.165 25642 1294 1 3 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.965 1.315 25642 1295 1 3 . 1 1 109 109 GLY H H 109 10.080 10.080 8.771 1.309 25642 1296 1 3 . 1 1 110 110 THR N N 110 103.280 103.280 119.179 -15.899 25642 1297 1 3 . 1 1 110 110 THR C C 110 175.370 175.370 174.849 0.521 25642 1298 1 3 . 1 1 110 110 THR CA C 110 61.220 61.220 61.339 -0.119 25642 1299 1 3 . 1 1 110 110 THR CB C 110 70.160 70.160 67.760 2.400 25642 1300 1 3 . 1 1 110 110 THR H H 110 6.910 6.910 8.552 -1.642 25642 1301 1 3 . 1 1 111 111 SER N N 111 118.040 118.040 117.046 0.994 25642 1302 1 3 . 1 1 111 111 SER C C 111 174.740 174.740 173.677 1.063 25642 1303 1 3 . 1 1 111 111 SER CA C 111 59.070 59.070 59.620 -0.550 25642 1304 1 3 . 1 1 111 111 SER CB C 111 67.870 67.870 63.594 4.276 25642 1305 1 3 . 1 1 111 111 SER H H 111 7.960 7.960 7.958 0.002 25642 1306 1 3 . 1 1 112 112 TYR N N 112 124.220 124.220 126.299 -2.079 25642 1307 1 3 . 1 1 112 112 TYR C C 112 174.090 174.090 173.486 0.604 25642 1308 1 3 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.944 0.466 25642 1309 1 3 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.047 -0.357 25642 1310 1 3 . 1 1 112 112 TYR H H 112 8.720 8.720 8.137 0.583 25642 1311 1 3 . 1 1 113 113 VAL N N 113 129.090 129.090 128.366 0.724 25642 1312 1 3 . 1 1 113 113 VAL C C 113 173.870 173.870 174.056 -0.186 25642 1313 1 3 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.764 0.276 25642 1314 1 3 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.740 1.190 25642 1315 1 3 . 1 1 113 113 VAL H H 113 9.640 9.640 7.746 1.894 25642 1316 1 3 . 1 1 114 114 ASP N N 114 127.460 127.460 126.079 1.381 25642 1317 1 3 . 1 1 114 114 ASP C C 114 176.250 176.250 175.465 0.785 25642 1318 1 3 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.416 -0.946 25642 1319 1 3 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.978 0.242 25642 1320 1 3 . 1 1 114 114 ASP H H 114 8.630 8.630 7.867 0.763 25642 1321 1 3 . 1 1 115 115 GLY N N 115 113.040 113.040 111.674 1.366 25642 1322 1 3 . 1 1 115 115 GLY C C 115 171.140 171.140 172.506 -1.366 25642 1323 1 3 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.067 0.083 25642 1324 1 3 . 1 1 115 115 GLY H H 115 8.880 8.880 7.990 0.890 25642 1325 1 3 . 1 1 116 116 ASP N N 116 117.450 117.450 122.795 -5.345 25642 1326 1 3 . 1 1 116 116 ASP C C 116 176.850 176.850 174.983 1.867 25642 1327 1 3 . 1 1 116 116 ASP CA C 116 53.360 53.360 54.483 -1.123 25642 1328 1 3 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.469 0.901 25642 1329 1 3 . 1 1 116 116 ASP H H 116 7.390 7.390 7.988 -0.598 25642 1330 1 3 . 1 1 117 117 ILE N N 117 121.440 121.440 125.536 -4.096 25642 1331 1 3 . 1 1 117 117 ILE C C 117 176.780 176.780 173.509 3.271 25642 1332 1 3 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.248 1.472 25642 1333 1 3 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.584 -2.954 25642 1334 1 3 . 1 1 117 117 ILE H H 117 9.200 9.200 7.951 1.249 25642 1335 1 3 . 1 1 118 118 THR N N 118 131.550 131.550 125.360 6.190 25642 1336 1 3 . 1 1 118 118 THR C C 118 173.630 173.630 173.347 0.283 25642 1337 1 3 . 1 1 118 118 THR CA C 118 62.110 62.110 60.726 1.384 25642 1338 1 3 . 1 1 118 118 THR CB C 118 67.860 67.860 70.612 -2.752 25642 1339 1 3 . 1 1 118 118 THR H H 118 9.560 9.560 8.154 1.406 25642 1340 1 3 . 1 1 119 119 HIS N N 119 121.300 121.300 120.257 1.043 25642 1341 1 3 . 1 1 119 119 HIS C C 119 174.780 174.780 174.135 0.645 25642 1342 1 3 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.656 1.194 25642 1343 1 3 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.830 0.720 25642 1344 1 3 . 1 1 119 119 HIS H H 119 8.290 8.290 8.392 -0.102 25642 1345 1 3 . 1 1 120 120 GLU N N 120 118.130 118.130 119.133 -1.003 25642 1346 1 3 . 1 1 120 120 GLU C C 120 177.120 177.120 176.751 0.369 25642 1347 1 3 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.795 1.985 25642 1348 1 3 . 1 1 120 120 GLU CB C 120 30.300 30.300 31.027 -0.727 25642 1349 1 3 . 1 1 120 120 GLU H H 120 7.710 7.710 8.673 -0.963 25642 1350 1 3 . 1 1 121 121 GLN N N 121 117.670 117.670 118.299 -0.629 25642 1351 1 3 . 1 1 121 121 GLN C C 121 172.760 172.760 173.852 -1.092 25642 1352 1 3 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.745 1.135 25642 1353 1 3 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.822 0.758 25642 1354 1 3 . 1 1 121 121 GLN H H 121 8.950 8.950 7.766 1.184 25642 1355 1 3 . 1 1 122 122 LEU N N 122 126.250 126.250 118.338 7.912 25642 1356 1 3 . 1 1 122 122 LEU C C 122 173.300 173.300 175.378 -2.078 25642 1357 1 3 . 1 1 122 122 LEU CA C 122 53.820 53.820 52.948 0.872 25642 1358 1 3 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.532 -0.082 25642 1359 1 3 . 1 1 122 122 LEU H H 122 8.660 8.660 8.292 0.368 25642 1360 1 3 . 1 1 123 123 ALA N N 123 126.670 126.670 125.182 1.488 25642 1361 1 3 . 1 1 123 123 ALA C C 123 175.940 175.940 175.783 0.157 25642 1362 1 3 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.430 -1.860 25642 1363 1 3 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.093 0.257 25642 1364 1 3 . 1 1 123 123 ALA H H 123 8.090 8.090 8.928 -0.838 25642 1365 1 3 . 1 1 124 124 MET N N 124 119.800 119.800 121.612 -1.812 25642 1366 1 3 . 1 1 124 124 MET C C 124 174.960 174.960 175.339 -0.379 25642 1367 1 3 . 1 1 124 124 MET CA C 124 54.770 54.770 53.902 0.868 25642 1368 1 3 . 1 1 124 124 MET CB C 124 37.620 37.620 33.192 4.428 25642 1369 1 3 . 1 1 124 124 MET H H 124 8.810 8.810 8.538 0.272 25642 1370 1 3 . 1 1 125 125 GLU N N 125 125.500 125.500 124.281 1.219 25642 1371 1 3 . 1 1 125 125 GLU C C 125 175.410 175.410 175.399 0.011 25642 1372 1 3 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.022 0.648 25642 1373 1 3 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.963 -1.453 25642 1374 1 3 . 1 1 125 125 GLU H H 125 8.760 8.760 8.159 0.601 25642 1375 1 3 . 1 1 126 126 THR N N 126 118.440 118.440 117.250 1.190 25642 1376 1 3 . 1 1 126 126 THR C C 126 174.300 174.300 175.414 -1.114 25642 1377 1 3 . 1 1 126 126 THR CA C 126 65.870 65.870 64.412 1.458 25642 1378 1 3 . 1 1 126 126 THR CB C 126 69.050 69.050 69.103 -0.053 25642 1379 1 3 . 1 1 127 127 GLY N N 127 116.970 116.970 112.364 4.606 25642 1380 1 3 . 1 1 127 127 GLY C C 127 175.320 175.320 173.098 2.222 25642 1381 1 3 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.181 -0.181 25642 1382 1 3 . 1 1 128 128 ALA N N 128 124.190 124.190 123.498 0.692 25642 1383 1 3 . 1 1 128 128 ALA C C 128 177.670 177.670 176.026 1.644 25642 1384 1 3 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.310 2.330 25642 1385 1 3 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.787 -0.037 25642 1386 1 3 . 1 1 128 128 ALA H H 128 7.930 7.930 7.236 0.694 25642 1387 1 3 . 1 1 129 129 PHE N N 129 127.300 127.300 126.551 0.749 25642 1388 1 3 . 1 1 129 129 PHE C C 129 173.400 173.400 173.630 -0.230 25642 1389 1 3 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.883 0.007 25642 1390 1 3 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.742 -1.222 25642 1391 1 3 . 1 1 129 129 PHE H H 129 8.550 8.550 9.142 -0.592 25642 1392 1 3 . 1 1 130 130 PHE N N 130 131.220 131.220 121.391 9.829 25642 1393 1 3 . 1 1 130 130 PHE C C 130 173.550 173.550 174.281 -0.731 25642 1394 1 3 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.560 -2.191 25642 1395 1 3 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.169 -0.709 25642 1396 1 3 . 1 1 130 130 PHE H H 130 8.860 8.860 8.018 0.842 25642 1397 1 3 . 1 1 131 131 GLN N N 131 130.230 130.230 124.877 5.353 25642 1398 1 3 . 1 1 131 131 GLN C C 131 173.350 173.350 174.674 -1.324 25642 1399 1 3 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.664 -1.244 25642 1400 1 3 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.174 2.826 25642 1401 1 3 . 1 1 131 131 GLN H H 131 8.840 8.840 8.271 0.569 25642 1402 1 3 . 1 1 132 132 GLY N N 132 112.460 112.460 109.783 2.677 25642 1403 1 3 . 1 1 132 132 GLY C C 132 172.750 172.750 172.552 0.198 25642 1404 1 3 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.967 -0.497 25642 1405 1 3 . 1 1 133 133 ARG N N 133 119.950 119.950 120.238 -0.288 25642 1406 1 3 . 1 1 133 133 ARG C C 133 173.910 173.910 175.336 -1.426 25642 1407 1 3 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.935 -0.066 25642 1408 1 3 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.952 1.238 25642 1409 1 3 . 1 1 133 133 ARG H H 133 8.470 8.470 8.165 0.305 25642 1410 1 3 . 1 1 134 134 SER N N 134 119.120 119.120 121.387 -2.267 25642 1411 1 3 . 1 1 134 134 SER C C 134 174.260 174.260 174.294 -0.034 25642 1412 1 3 . 1 1 134 134 SER CA C 134 57.140 57.140 57.981 -0.841 25642 1413 1 3 . 1 1 134 134 SER CB C 134 63.450 63.450 63.837 -0.387 25642 1414 1 3 . 1 1 134 134 SER H H 134 8.680 8.680 8.621 0.059 25642 1415 1 3 . 1 1 135 135 LEU N N 135 127.740 127.740 130.812 -3.072 25642 1416 1 3 . 1 1 135 135 LEU C C 135 174.990 174.990 175.848 -0.858 25642 1417 1 3 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.012 -0.792 25642 1418 1 3 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.314 2.866 25642 1419 1 3 . 1 1 135 135 LEU H H 135 8.560 8.560 8.860 -0.300 25642 1420 1 3 . 1 1 136 136 LYS N N 136 118.190 118.190 123.116 -4.926 25642 1421 1 3 . 1 1 136 136 LYS C C 136 178.030 178.030 176.165 1.865 25642 1422 1 3 . 1 1 136 136 LYS CA C 136 52.060 52.060 53.945 -1.885 25642 1423 1 3 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.456 -1.446 25642 1424 1 3 . 1 1 136 136 LYS H H 136 8.180 8.180 8.340 -0.160 25642 1425 1 3 . 1 1 137 137 PHE N N 137 121.570 121.570 124.462 -2.892 25642 1426 1 3 . 1 1 137 137 PHE C C 137 176.370 176.370 175.003 1.367 25642 1427 1 3 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.789 0.151 25642 1428 1 3 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.374 0.356 25642 1429 1 3 . 1 1 137 137 PHE H H 137 7.800 7.800 8.165 -0.365 25642 1430 1 3 . 1 1 138 138 GLN N N 138 123.070 123.070 125.391 -2.321 25642 1431 1 3 . 1 1 138 138 GLN H H 138 8.560 8.560 8.291 0.269 25642 1432 1 4 . 1 1 38 38 VAL C C 38 175.900 175.900 174.093 1.807 25642 1433 1 4 . 1 1 39 39 ALA N N 39 130.020 130.020 128.269 1.751 25642 1434 1 4 . 1 1 39 39 ALA C C 39 177.440 177.440 177.719 -0.279 25642 1435 1 4 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.031 1.349 25642 1436 1 4 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.217 -0.397 25642 1437 1 4 . 1 1 39 39 ALA H H 39 8.200 8.200 8.380 -0.180 25642 1438 1 4 . 1 1 40 40 SER N N 40 115.080 115.080 118.523 -3.443 25642 1439 1 4 . 1 1 40 40 SER C C 40 173.460 173.460 173.036 0.424 25642 1440 1 4 . 1 1 40 40 SER CA C 40 60.040 60.040 57.953 2.087 25642 1441 1 4 . 1 1 40 40 SER CB C 40 66.420 66.420 64.163 2.257 25642 1442 1 4 . 1 1 40 40 SER H H 40 7.970 7.970 8.332 -0.362 25642 1443 1 4 . 1 1 41 41 LEU N N 41 127.860 127.860 123.624 4.236 25642 1444 1 4 . 1 1 41 41 LEU C C 41 174.130 174.130 175.451 -1.321 25642 1445 1 4 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.097 0.563 25642 1446 1 4 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.999 1.301 25642 1447 1 4 . 1 1 41 41 LEU H H 41 9.490 9.490 8.336 1.154 25642 1448 1 4 . 1 1 42 42 LEU N N 42 126.730 126.730 127.632 -0.902 25642 1449 1 4 . 1 1 42 42 LEU C C 42 175.120 175.120 176.587 -1.467 25642 1450 1 4 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.586 -0.875 25642 1451 1 4 . 1 1 42 42 LEU CB C 42 41.460 41.460 44.475 -3.015 25642 1452 1 4 . 1 1 42 42 LEU H H 42 8.640 8.640 8.384 0.256 25642 1453 1 4 . 1 1 43 43 SER N N 43 123.530 123.530 118.507 5.023 25642 1454 1 4 . 1 1 43 43 SER C C 43 172.810 172.810 175.083 -2.273 25642 1455 1 4 . 1 1 43 43 SER CA C 43 58.990 58.990 58.794 0.196 25642 1456 1 4 . 1 1 43 43 SER CB C 43 64.200 64.200 64.147 0.053 25642 1457 1 4 . 1 1 43 43 SER H H 43 9.060 9.060 8.738 0.322 25642 1458 1 4 . 1 1 44 44 ALA N N 44 119.250 119.250 121.312 -2.062 25642 1459 1 4 . 1 1 44 44 ALA C C 44 177.720 177.720 176.975 0.745 25642 1460 1 4 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.386 0.614 25642 1461 1 4 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.974 -0.244 25642 1462 1 4 . 1 1 44 44 ALA H H 44 8.490 8.490 8.561 -0.071 25642 1463 1 4 . 1 1 45 45 ASP N N 45 114.450 114.450 116.546 -2.096 25642 1464 1 4 . 1 1 45 45 ASP C C 45 175.800 175.800 175.427 0.373 25642 1465 1 4 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.407 -0.427 25642 1466 1 4 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.557 2.123 25642 1467 1 4 . 1 1 45 45 ASP H H 45 8.080 8.080 8.334 -0.254 25642 1468 1 4 . 1 1 46 46 LEU N N 46 122.200 122.200 120.138 2.062 25642 1469 1 4 . 1 1 46 46 LEU C C 46 176.290 176.290 175.374 0.916 25642 1470 1 4 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.108 0.512 25642 1471 1 4 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.559 0.401 25642 1472 1 4 . 1 1 46 46 LEU H H 46 7.860 7.860 7.326 0.534 25642 1473 1 4 . 1 1 47 47 THR N N 47 119.850 119.850 113.183 6.667 25642 1474 1 4 . 1 1 47 47 THR C C 47 174.140 174.140 174.110 0.030 25642 1475 1 4 . 1 1 47 47 THR CA C 47 61.650 61.650 60.465 1.185 25642 1476 1 4 . 1 1 47 47 THR CB C 47 71.210 71.210 70.934 0.276 25642 1477 1 4 . 1 1 47 47 THR H H 47 9.000 9.000 8.249 0.751 25642 1478 1 4 . 1 1 48 48 ILE N N 48 128.090 128.090 125.493 2.597 25642 1479 1 4 . 1 1 48 48 ILE C C 48 174.810 174.810 175.647 -0.837 25642 1480 1 4 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.077 -0.927 25642 1481 1 4 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.060 2.050 25642 1482 1 4 . 1 1 48 48 ILE H H 48 9.330 9.330 8.215 1.115 25642 1483 1 4 . 1 1 49 49 GLU N N 49 129.080 129.080 124.820 4.260 25642 1484 1 4 . 1 1 49 49 GLU C C 49 175.160 175.160 177.060 -1.900 25642 1485 1 4 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.406 -0.906 25642 1486 1 4 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.867 -2.507 25642 1487 1 4 . 1 1 49 49 GLU H H 49 8.830 8.830 8.453 0.377 25642 1488 1 4 . 1 1 50 50 GLY N N 50 114.250 114.250 114.930 -0.680 25642 1489 1 4 . 1 1 50 50 GLY C C 50 170.510 170.510 173.501 -2.991 25642 1490 1 4 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.262 -0.202 25642 1491 1 4 . 1 1 50 50 GLY H H 50 8.320 8.320 8.731 -0.411 25642 1492 1 4 . 1 1 51 51 GLY N N 51 102.740 102.740 109.227 -6.487 25642 1493 1 4 . 1 1 51 51 GLY C C 51 174.230 174.230 173.204 1.026 25642 1494 1 4 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.344 -0.464 25642 1495 1 4 . 1 1 51 51 GLY H H 51 8.000 8.000 7.909 0.091 25642 1496 1 4 . 1 1 52 52 VAL N N 52 122.770 122.770 122.499 0.271 25642 1497 1 4 . 1 1 52 52 VAL C C 52 175.290 175.290 174.307 0.983 25642 1498 1 4 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.923 0.247 25642 1499 1 4 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.233 0.717 25642 1500 1 4 . 1 1 52 52 VAL H H 52 8.550 8.550 8.231 0.319 25642 1501 1 4 . 1 1 53 53 THR N N 53 121.860 121.860 120.510 1.350 25642 1502 1 4 . 1 1 53 53 THR C C 53 173.790 173.790 173.757 0.033 25642 1503 1 4 . 1 1 53 53 THR CA C 53 60.580 60.580 61.202 -0.622 25642 1504 1 4 . 1 1 53 53 THR CB C 53 72.310 72.310 69.453 2.857 25642 1505 1 4 . 1 1 53 53 THR H H 53 9.150 9.150 8.213 0.937 25642 1506 1 4 . 1 1 54 54 GLY N N 54 112.960 112.960 116.848 -3.888 25642 1507 1 4 . 1 1 54 54 GLY C C 54 172.530 172.530 173.637 -1.107 25642 1508 1 4 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.897 -0.027 25642 1509 1 4 . 1 1 54 54 GLY H H 54 9.080 9.080 8.190 0.890 25642 1510 1 4 . 1 1 55 55 GLU N N 55 118.200 118.200 122.130 -3.930 25642 1511 1 4 . 1 1 55 55 GLU C C 55 177.350 177.350 177.591 -0.241 25642 1512 1 4 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.383 -1.283 25642 1513 1 4 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.192 0.948 25642 1514 1 4 . 1 1 55 55 GLU H H 55 8.790 8.790 8.430 0.360 25642 1515 1 4 . 1 1 56 56 GLY N N 56 109.740 109.740 106.823 2.917 25642 1516 1 4 . 1 1 56 56 GLY C C 56 173.400 173.400 173.076 0.324 25642 1517 1 4 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.522 0.168 25642 1518 1 4 . 1 1 56 56 GLY H H 56 8.580 8.580 8.260 0.320 25642 1519 1 4 . 1 1 57 57 GLU N N 57 122.180 122.180 121.004 1.176 25642 1520 1 4 . 1 1 57 57 GLU C C 57 175.970 175.970 174.730 1.240 25642 1521 1 4 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.723 -0.623 25642 1522 1 4 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.359 0.411 25642 1523 1 4 . 1 1 57 57 GLU H H 57 8.810 8.810 8.188 0.622 25642 1524 1 4 . 1 1 58 58 LEU N N 58 126.040 126.040 128.516 -2.476 25642 1525 1 4 . 1 1 58 58 LEU C C 58 173.100 173.100 174.185 -1.085 25642 1526 1 4 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.819 -0.139 25642 1527 1 4 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.619 1.821 25642 1528 1 4 . 1 1 58 58 LEU H H 58 8.720 8.720 8.237 0.483 25642 1529 1 4 . 1 1 59 59 GLN N N 59 127.940 127.940 128.148 -0.208 25642 1530 1 4 . 1 1 59 59 GLN C C 59 174.540 174.540 174.322 0.218 25642 1531 1 4 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.246 -0.406 25642 1532 1 4 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.780 0.010 25642 1533 1 4 . 1 1 59 59 GLN H H 59 8.400 8.400 8.300 0.100 25642 1534 1 4 . 1 1 60 60 ILE N N 60 124.610 124.610 126.626 -2.016 25642 1535 1 4 . 1 1 60 60 ILE C C 60 174.340 174.340 173.181 1.159 25642 1536 1 4 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.328 2.002 25642 1537 1 4 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.506 -0.756 25642 1538 1 4 . 1 1 60 60 ILE H H 60 9.100 9.100 8.308 0.792 25642 1539 1 4 . 1 1 61 61 ASP N N 61 127.350 127.350 127.546 -0.196 25642 1540 1 4 . 1 1 61 61 ASP C C 61 176.210 176.210 174.571 1.639 25642 1541 1 4 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.789 1.111 25642 1542 1 4 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.481 0.999 25642 1543 1 4 . 1 1 61 61 ASP H H 61 9.070 9.070 8.180 0.890 25642 1544 1 4 . 1 1 62 62 GLY N N 62 110.340 110.340 106.455 3.885 25642 1545 1 4 . 1 1 62 62 GLY C C 62 170.870 170.870 172.515 -1.645 25642 1546 1 4 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.197 1.293 25642 1547 1 4 . 1 1 62 62 GLY H H 62 6.590 6.590 7.641 -1.051 25642 1548 1 4 . 1 1 63 63 VAL N N 63 122.570 122.570 119.770 2.800 25642 1549 1 4 . 1 1 63 63 VAL C C 63 176.030 176.030 175.306 0.724 25642 1550 1 4 . 1 1 63 63 VAL CA C 63 61.010 61.010 61.789 -0.779 25642 1551 1 4 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.452 2.398 25642 1552 1 4 . 1 1 63 63 VAL H H 63 8.070 8.070 7.732 0.338 25642 1553 1 4 . 1 1 64 64 VAL N N 64 125.470 125.470 129.658 -4.188 25642 1554 1 4 . 1 1 64 64 VAL C C 64 174.410 174.410 174.018 0.392 25642 1555 1 4 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.830 -0.610 25642 1556 1 4 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.554 3.136 25642 1557 1 4 . 1 1 64 64 VAL H H 64 9.010 9.010 8.402 0.608 25642 1558 1 4 . 1 1 65 65 LYS N N 65 129.120 129.120 128.359 0.761 25642 1559 1 4 . 1 1 65 65 LYS C C 65 175.120 175.120 176.165 -1.045 25642 1560 1 4 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.414 -0.104 25642 1561 1 4 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.733 -3.293 25642 1562 1 4 . 1 1 65 65 LYS H H 65 9.150 9.150 8.046 1.104 25642 1563 1 4 . 1 1 66 66 GLY N N 66 115.020 115.020 115.280 -0.260 25642 1564 1 4 . 1 1 66 66 GLY C C 66 170.210 170.210 173.082 -2.872 25642 1565 1 4 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.447 0.033 25642 1566 1 4 . 1 1 66 66 GLY H H 66 8.300 8.300 7.939 0.361 25642 1567 1 4 . 1 1 67 67 ASP N N 67 115.420 115.420 123.774 -8.354 25642 1568 1 4 . 1 1 67 67 ASP C C 67 176.920 176.920 176.245 0.675 25642 1569 1 4 . 1 1 67 67 ASP CA C 67 53.330 53.330 54.178 -0.848 25642 1570 1 4 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.566 -0.616 25642 1571 1 4 . 1 1 67 67 ASP H H 67 7.690 7.690 8.308 -0.618 25642 1572 1 4 . 1 1 68 68 VAL N N 68 122.440 122.440 119.327 3.113 25642 1573 1 4 . 1 1 68 68 VAL C C 68 174.450 174.450 174.674 -0.224 25642 1574 1 4 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.158 -0.188 25642 1575 1 4 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.529 1.711 25642 1576 1 4 . 1 1 68 68 VAL H H 68 8.930 8.930 8.167 0.763 25642 1577 1 4 . 1 1 69 69 ARG N N 69 130.610 130.610 126.545 4.065 25642 1578 1 4 . 1 1 69 69 ARG C C 69 175.150 175.150 174.448 0.702 25642 1579 1 4 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.907 -0.087 25642 1580 1 4 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.827 -0.827 25642 1581 1 4 . 1 1 69 69 ARG H H 69 9.110 9.110 8.663 0.447 25642 1582 1 4 . 1 1 70 70 VAL N N 70 114.530 114.530 122.678 -8.148 25642 1583 1 4 . 1 1 70 70 VAL C C 70 175.440 175.440 174.134 1.306 25642 1584 1 4 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.333 -1.933 25642 1585 1 4 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.653 -0.283 25642 1586 1 4 . 1 1 70 70 VAL H H 70 8.290 8.290 7.640 0.650 25642 1587 1 4 . 1 1 71 71 GLY N N 71 108.150 108.150 109.596 -1.446 25642 1588 1 4 . 1 1 71 71 GLY C C 71 174.710 174.710 173.872 0.838 25642 1589 1 4 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.667 1.233 25642 1590 1 4 . 1 1 71 71 GLY H H 71 8.110 8.110 8.570 -0.460 25642 1591 1 4 . 1 1 72 72 ARG N N 72 120.660 120.660 118.936 1.724 25642 1592 1 4 . 1 1 72 72 ARG C C 72 173.620 173.620 173.904 -0.284 25642 1593 1 4 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.675 0.645 25642 1594 1 4 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.765 1.015 25642 1595 1 4 . 1 1 72 72 ARG H H 72 7.690 7.690 7.724 -0.034 25642 1596 1 4 . 1 1 73 73 LEU N N 73 125.710 125.710 128.230 -2.520 25642 1597 1 4 . 1 1 73 73 LEU C C 73 175.230 175.230 174.852 0.378 25642 1598 1 4 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.936 -1.386 25642 1599 1 4 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.721 1.809 25642 1600 1 4 . 1 1 73 73 LEU H H 73 8.570 8.570 8.396 0.174 25642 1601 1 4 . 1 1 74 74 THR N N 74 123.150 123.150 125.250 -2.100 25642 1602 1 4 . 1 1 74 74 THR C C 74 173.670 173.670 173.711 -0.041 25642 1603 1 4 . 1 1 74 74 THR CA C 74 61.480 61.480 61.370 0.110 25642 1604 1 4 . 1 1 74 74 THR CB C 74 70.710 70.710 69.707 1.003 25642 1605 1 4 . 1 1 74 74 THR H H 74 8.860 8.860 8.428 0.432 25642 1606 1 4 . 1 1 75 75 VAL N N 75 127.890 127.890 128.172 -0.282 25642 1607 1 4 . 1 1 75 75 VAL C C 75 176.800 176.800 176.830 -0.030 25642 1608 1 4 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.735 -0.605 25642 1609 1 4 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.592 2.248 25642 1610 1 4 . 1 1 75 75 VAL H H 75 8.910 8.910 8.184 0.726 25642 1611 1 4 . 1 1 76 76 GLY N N 76 116.590 116.590 116.065 0.525 25642 1612 1 4 . 1 1 76 76 GLY C C 76 174.060 174.060 174.412 -0.352 25642 1613 1 4 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.527 -0.297 25642 1614 1 4 . 1 1 76 76 GLY H H 76 8.980 8.980 9.140 -0.160 25642 1615 1 4 . 1 1 77 77 GLU N N 77 121.140 121.140 118.833 2.307 25642 1616 1 4 . 1 1 77 77 GLU C C 77 178.620 178.620 178.802 -0.182 25642 1617 1 4 . 1 1 77 77 GLU CA C 77 60.500 60.500 57.722 2.777 25642 1618 1 4 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.092 0.028 25642 1619 1 4 . 1 1 77 77 GLU H H 77 9.260 9.260 8.534 0.726 25642 1620 1 4 . 1 1 78 78 THR N N 78 105.330 105.330 115.517 -10.187 25642 1621 1 4 . 1 1 78 78 THR C C 78 174.990 174.990 174.761 0.229 25642 1622 1 4 . 1 1 78 78 THR CA C 78 62.040 62.040 64.310 -2.270 25642 1623 1 4 . 1 1 78 78 THR CB C 78 69.880 69.880 68.938 0.942 25642 1624 1 4 . 1 1 78 78 THR H H 78 8.010 8.010 8.539 -0.529 25642 1625 1 4 . 1 1 79 79 GLY N N 79 111.420 111.420 108.006 3.414 25642 1626 1 4 . 1 1 79 79 GLY C C 79 174.270 174.270 174.198 0.072 25642 1627 1 4 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.826 -0.576 25642 1628 1 4 . 1 1 79 79 GLY H H 79 8.240 8.240 7.824 0.416 25642 1629 1 4 . 1 1 80 80 HIS N N 80 123.970 123.970 117.873 6.097 25642 1630 1 4 . 1 1 80 80 HIS C C 80 173.800 173.800 173.842 -0.042 25642 1631 1 4 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.094 0.765 25642 1632 1 4 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.442 4.628 25642 1633 1 4 . 1 1 80 80 HIS H H 80 8.860 8.860 7.446 1.414 25642 1634 1 4 . 1 1 81 81 VAL N N 81 125.720 125.720 125.683 0.037 25642 1635 1 4 . 1 1 81 81 VAL C C 81 174.580 174.580 173.772 0.808 25642 1636 1 4 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.027 -1.367 25642 1637 1 4 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.470 0.390 25642 1638 1 4 . 1 1 81 81 VAL H H 81 8.900 8.900 8.242 0.658 25642 1639 1 4 . 1 1 82 82 GLU N N 82 129.500 129.500 127.233 2.267 25642 1640 1 4 . 1 1 82 82 GLU C C 82 175.200 175.200 175.870 -0.670 25642 1641 1 4 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.761 -0.861 25642 1642 1 4 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.567 -1.697 25642 1643 1 4 . 1 1 82 82 GLU H H 82 9.270 9.270 8.704 0.566 25642 1644 1 4 . 1 1 83 83 GLY N N 83 114.070 114.070 112.545 1.525 25642 1645 1 4 . 1 1 83 83 GLY C C 83 171.310 171.310 172.282 -0.972 25642 1646 1 4 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.538 -0.588 25642 1647 1 4 . 1 1 83 83 GLY H H 83 8.450 8.450 7.901 0.549 25642 1648 1 4 . 1 1 84 84 SER N N 84 113.810 113.810 117.548 -3.738 25642 1649 1 4 . 1 1 84 84 SER C C 84 173.140 173.140 174.400 -1.260 25642 1650 1 4 . 1 1 84 84 SER CA C 84 57.720 57.720 56.541 1.179 25642 1651 1 4 . 1 1 84 84 SER CB C 84 64.950 64.950 64.498 0.452 25642 1652 1 4 . 1 1 84 84 SER H H 84 8.320 8.320 8.091 0.229 25642 1653 1 4 . 1 1 85 85 VAL N N 85 121.060 121.060 124.154 -3.094 25642 1654 1 4 . 1 1 85 85 VAL C C 85 174.960 174.960 173.736 1.224 25642 1655 1 4 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.507 -1.087 25642 1656 1 4 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.389 1.511 25642 1657 1 4 . 1 1 85 85 VAL H H 85 8.730 8.730 8.043 0.687 25642 1658 1 4 . 1 1 86 86 TYR N N 86 129.090 129.090 125.210 3.880 25642 1659 1 4 . 1 1 86 86 TYR C C 86 174.420 174.420 174.177 0.243 25642 1660 1 4 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.093 0.367 25642 1661 1 4 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.479 0.371 25642 1662 1 4 . 1 1 86 86 TYR H H 86 9.580 9.580 8.813 0.767 25642 1663 1 4 . 1 1 87 87 ALA N N 87 122.670 122.670 125.193 -2.523 25642 1664 1 4 . 1 1 87 87 ALA C C 87 177.320 177.320 176.366 0.954 25642 1665 1 4 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.263 -0.003 25642 1666 1 4 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.000 0.450 25642 1667 1 4 . 1 1 87 87 ALA H H 87 8.080 8.080 8.145 -0.065 25642 1668 1 4 . 1 1 88 88 GLU N N 88 120.180 120.180 118.780 1.400 25642 1669 1 4 . 1 1 88 88 GLU C C 88 177.310 177.310 176.283 1.027 25642 1670 1 4 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.468 1.722 25642 1671 1 4 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.690 -1.040 25642 1672 1 4 . 1 1 88 88 GLU H H 88 8.640 8.640 8.748 -0.108 25642 1673 1 4 . 1 1 89 89 ALA N N 89 118.770 118.770 119.846 -1.076 25642 1674 1 4 . 1 1 89 89 ALA C C 89 175.890 175.890 175.090 0.800 25642 1675 1 4 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.700 0.810 25642 1676 1 4 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.323 -0.053 25642 1677 1 4 . 1 1 89 89 ALA H H 89 7.340 7.340 7.556 -0.216 25642 1678 1 4 . 1 1 90 90 VAL N N 90 119.720 119.720 122.370 -2.650 25642 1679 1 4 . 1 1 90 90 VAL C C 90 174.710 174.710 173.984 0.726 25642 1680 1 4 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.458 -0.938 25642 1681 1 4 . 1 1 90 90 VAL CB C 90 35.990 35.990 34.494 1.496 25642 1682 1 4 . 1 1 90 90 VAL H H 90 8.490 8.490 8.165 0.325 25642 1683 1 4 . 1 1 91 91 GLU N N 91 128.200 128.200 128.881 -0.681 25642 1684 1 4 . 1 1 91 91 GLU C C 91 175.470 175.470 175.098 0.372 25642 1685 1 4 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.150 0.640 25642 1686 1 4 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.503 0.177 25642 1687 1 4 . 1 1 91 91 GLU H H 91 9.070 9.070 8.749 0.321 25642 1688 1 4 . 1 1 92 92 VAL N N 92 122.080 122.080 127.422 -5.342 25642 1689 1 4 . 1 1 92 92 VAL C C 92 174.490 174.490 175.190 -0.700 25642 1690 1 4 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.400 1.260 25642 1691 1 4 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.923 0.167 25642 1692 1 4 . 1 1 92 92 VAL H H 92 9.450 9.450 8.644 0.806 25642 1693 1 4 . 1 1 93 93 ARG N N 93 123.900 123.900 122.540 1.360 25642 1694 1 4 . 1 1 93 93 ARG C C 93 176.280 176.280 175.386 0.894 25642 1695 1 4 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.305 0.985 25642 1696 1 4 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.744 -0.854 25642 1697 1 4 . 1 1 93 93 ARG H H 93 9.200 9.200 8.227 0.973 25642 1698 1 4 . 1 1 94 94 GLY N N 94 111.100 111.100 106.307 4.793 25642 1699 1 4 . 1 1 94 94 GLY C C 94 170.710 170.710 172.536 -1.826 25642 1700 1 4 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.020 0.770 25642 1701 1 4 . 1 1 94 94 GLY H H 94 6.250 6.250 7.940 -1.690 25642 1702 1 4 . 1 1 95 95 ARG N N 95 126.190 126.190 119.639 6.551 25642 1703 1 4 . 1 1 95 95 ARG C C 95 175.570 175.570 174.642 0.928 25642 1704 1 4 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.855 -1.185 25642 1705 1 4 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.731 1.189 25642 1706 1 4 . 1 1 95 95 ARG H H 95 8.140 8.140 7.917 0.223 25642 1707 1 4 . 1 1 96 96 VAL N N 96 124.800 124.800 123.540 1.260 25642 1708 1 4 . 1 1 96 96 VAL C C 96 174.070 174.070 173.294 0.776 25642 1709 1 4 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.411 0.749 25642 1710 1 4 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.905 -0.045 25642 1711 1 4 . 1 1 96 96 VAL H H 96 9.430 9.430 8.777 0.653 25642 1712 1 4 . 1 1 97 97 VAL N N 97 128.010 128.010 124.236 3.774 25642 1713 1 4 . 1 1 97 97 VAL C C 97 176.430 176.430 174.458 1.972 25642 1714 1 4 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.734 1.346 25642 1715 1 4 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.912 -0.282 25642 1716 1 4 . 1 1 97 97 VAL H H 97 9.260 9.260 8.677 0.583 25642 1717 1 4 . 1 1 98 98 GLY N N 98 116.340 116.340 114.789 1.551 25642 1718 1 4 . 1 1 98 98 GLY C C 98 171.770 171.770 172.132 -0.362 25642 1719 1 4 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.233 -0.343 25642 1720 1 4 . 1 1 98 98 GLY H H 98 8.600 8.600 8.534 0.066 25642 1721 1 4 . 1 1 99 99 ALA N N 99 124.110 124.110 123.780 0.330 25642 1722 1 4 . 1 1 99 99 ALA C C 99 176.060 176.060 174.781 1.279 25642 1723 1 4 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.680 0.010 25642 1724 1 4 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.110 -0.410 25642 1725 1 4 . 1 1 99 99 ALA H H 99 8.110 8.110 7.741 0.369 25642 1726 1 4 . 1 1 100 100 ILE N N 100 119.340 119.340 116.863 2.477 25642 1727 1 4 . 1 1 100 100 ILE C C 100 174.770 174.770 173.461 1.309 25642 1728 1 4 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.682 0.938 25642 1729 1 4 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.900 0.420 25642 1730 1 4 . 1 1 100 100 ILE H H 100 8.910 8.910 8.160 0.750 25642 1731 1 4 . 1 1 101 101 THR N N 101 127.010 127.010 120.191 6.819 25642 1732 1 4 . 1 1 101 101 THR C C 101 173.980 173.980 172.892 1.088 25642 1733 1 4 . 1 1 101 101 THR CA C 101 61.620 61.620 61.108 0.512 25642 1734 1 4 . 1 1 101 101 THR CB C 101 69.700 69.700 70.307 -0.607 25642 1735 1 4 . 1 1 101 101 THR H H 101 8.950 8.950 8.502 0.448 25642 1736 1 4 . 1 1 102 102 SER N N 102 119.870 119.870 122.269 -2.399 25642 1737 1 4 . 1 1 102 102 SER C C 102 174.000 174.000 173.794 0.206 25642 1738 1 4 . 1 1 102 102 SER CA C 102 56.190 56.190 56.727 -0.537 25642 1739 1 4 . 1 1 102 102 SER CB C 102 64.710 64.710 65.807 -1.097 25642 1740 1 4 . 1 1 102 102 SER H H 102 8.800 8.800 8.198 0.602 25642 1741 1 4 . 1 1 103 103 LYS N N 103 124.650 124.650 122.715 1.935 25642 1742 1 4 . 1 1 103 103 LYS C C 103 177.200 177.200 176.434 0.766 25642 1743 1 4 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.004 3.296 25642 1744 1 4 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.090 -0.580 25642 1745 1 4 . 1 1 103 103 LYS H H 103 7.560 7.560 8.825 -1.265 25642 1746 1 4 . 1 1 104 104 GLN N N 104 115.370 115.370 116.574 -1.204 25642 1747 1 4 . 1 1 104 104 GLN C C 104 174.650 174.650 173.851 0.799 25642 1748 1 4 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.538 0.322 25642 1749 1 4 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.866 -0.986 25642 1750 1 4 . 1 1 104 104 GLN H H 104 7.650 7.650 7.655 -0.005 25642 1751 1 4 . 1 1 105 105 VAL N N 105 125.510 125.510 123.714 1.796 25642 1752 1 4 . 1 1 105 105 VAL C C 105 174.530 174.530 174.155 0.375 25642 1753 1 4 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.921 -0.001 25642 1754 1 4 . 1 1 105 105 VAL CB C 105 35.000 35.000 34.626 0.374 25642 1755 1 4 . 1 1 105 105 VAL H H 105 8.670 8.670 8.124 0.546 25642 1756 1 4 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.172 0.878 25642 1757 1 4 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.689 1.051 25642 1758 1 4 . 1 1 106 106 ARG H H 106 8.560 8.560 9.219 -0.659 25642 1759 1 4 . 1 1 107 107 LEU N N 107 125.820 125.820 126.671 -0.851 25642 1760 1 4 . 1 1 107 107 LEU C C 107 176.190 176.190 175.748 0.442 25642 1761 1 4 . 1 1 107 107 LEU CA C 107 53.570 53.570 53.321 0.249 25642 1762 1 4 . 1 1 107 107 LEU CB C 107 41.130 41.130 39.411 1.718 25642 1763 1 4 . 1 1 107 107 LEU H H 107 8.730 8.730 8.353 0.377 25642 1764 1 4 . 1 1 108 108 TYR N N 108 120.870 120.870 123.663 -2.793 25642 1765 1 4 . 1 1 108 108 TYR C C 108 178.880 178.880 176.833 2.047 25642 1766 1 4 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.536 0.994 25642 1767 1 4 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.726 -0.946 25642 1768 1 4 . 1 1 108 108 TYR H H 108 8.280 8.280 8.799 -0.519 25642 1769 1 4 . 1 1 109 109 GLY N N 109 112.380 112.380 109.245 3.135 25642 1770 1 4 . 1 1 109 109 GLY C C 109 172.330 172.330 174.552 -2.222 25642 1771 1 4 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.159 2.121 25642 1772 1 4 . 1 1 109 109 GLY H H 109 10.080 10.080 8.697 1.383 25642 1773 1 4 . 1 1 110 110 THR N N 110 103.280 103.280 112.724 -9.444 25642 1774 1 4 . 1 1 110 110 THR C C 110 175.370 175.370 175.086 0.284 25642 1775 1 4 . 1 1 110 110 THR CA C 110 61.220 61.220 61.748 -0.528 25642 1776 1 4 . 1 1 110 110 THR CB C 110 70.160 70.160 68.033 2.127 25642 1777 1 4 . 1 1 110 110 THR H H 110 6.910 6.910 8.545 -1.635 25642 1778 1 4 . 1 1 111 111 SER N N 111 118.040 118.040 116.822 1.218 25642 1779 1 4 . 1 1 111 111 SER C C 111 174.740 174.740 173.331 1.409 25642 1780 1 4 . 1 1 111 111 SER CA C 111 59.070 59.070 60.113 -1.043 25642 1781 1 4 . 1 1 111 111 SER CB C 111 67.870 67.870 64.103 3.767 25642 1782 1 4 . 1 1 111 111 SER H H 111 7.960 7.960 7.838 0.122 25642 1783 1 4 . 1 1 112 112 TYR N N 112 124.220 124.220 121.714 2.506 25642 1784 1 4 . 1 1 112 112 TYR C C 112 174.090 174.090 173.758 0.332 25642 1785 1 4 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.117 0.293 25642 1786 1 4 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.183 -0.493 25642 1787 1 4 . 1 1 112 112 TYR H H 112 8.720 8.720 8.033 0.687 25642 1788 1 4 . 1 1 113 113 VAL N N 113 129.090 129.090 127.472 1.618 25642 1789 1 4 . 1 1 113 113 VAL C C 113 173.870 173.870 173.727 0.143 25642 1790 1 4 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.406 0.635 25642 1791 1 4 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.167 0.763 25642 1792 1 4 . 1 1 113 113 VAL H H 113 9.640 9.640 8.566 1.074 25642 1793 1 4 . 1 1 114 114 ASP N N 114 127.460 127.460 126.753 0.707 25642 1794 1 4 . 1 1 114 114 ASP C C 114 176.250 176.250 175.231 1.019 25642 1795 1 4 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.829 -1.359 25642 1796 1 4 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.536 -0.316 25642 1797 1 4 . 1 1 114 114 ASP H H 114 8.630 8.630 8.081 0.549 25642 1798 1 4 . 1 1 115 115 GLY N N 115 113.040 113.040 111.398 1.642 25642 1799 1 4 . 1 1 115 115 GLY C C 115 171.140 171.140 172.010 -0.870 25642 1800 1 4 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.159 -0.009 25642 1801 1 4 . 1 1 115 115 GLY H H 115 8.880 8.880 8.184 0.696 25642 1802 1 4 . 1 1 116 116 ASP N N 116 117.450 117.450 122.157 -4.707 25642 1803 1 4 . 1 1 116 116 ASP C C 116 176.850 176.850 176.083 0.767 25642 1804 1 4 . 1 1 116 116 ASP CA C 116 53.360 53.360 52.108 1.252 25642 1805 1 4 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.797 0.573 25642 1806 1 4 . 1 1 116 116 ASP H H 116 7.390 7.390 7.972 -0.582 25642 1807 1 4 . 1 1 117 117 ILE N N 117 121.440 121.440 126.382 -4.942 25642 1808 1 4 . 1 1 117 117 ILE C C 117 176.780 176.780 175.562 1.218 25642 1809 1 4 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.031 0.689 25642 1810 1 4 . 1 1 117 117 ILE CB C 117 38.630 38.630 39.809 -1.179 25642 1811 1 4 . 1 1 117 117 ILE H H 117 9.200 9.200 8.039 1.161 25642 1812 1 4 . 1 1 118 118 THR N N 118 131.550 131.550 122.443 9.107 25642 1813 1 4 . 1 1 118 118 THR C C 118 173.630 173.630 173.209 0.421 25642 1814 1 4 . 1 1 118 118 THR CA C 118 62.110 62.110 61.389 0.721 25642 1815 1 4 . 1 1 118 118 THR CB C 118 67.860 67.860 69.013 -1.153 25642 1816 1 4 . 1 1 118 118 THR H H 118 9.560 9.560 8.489 1.071 25642 1817 1 4 . 1 1 119 119 HIS N N 119 121.300 121.300 123.046 -1.746 25642 1818 1 4 . 1 1 119 119 HIS C C 119 174.780 174.780 174.054 0.726 25642 1819 1 4 . 1 1 119 119 HIS CA C 119 55.850 55.850 52.820 3.030 25642 1820 1 4 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.426 1.124 25642 1821 1 4 . 1 1 119 119 HIS H H 119 8.290 8.290 7.902 0.388 25642 1822 1 4 . 1 1 120 120 GLU N N 120 118.130 118.130 118.716 -0.586 25642 1823 1 4 . 1 1 120 120 GLU C C 120 177.120 177.120 176.755 0.365 25642 1824 1 4 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.811 1.969 25642 1825 1 4 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.717 -0.417 25642 1826 1 4 . 1 1 120 120 GLU H H 120 7.710 7.710 8.698 -0.988 25642 1827 1 4 . 1 1 121 121 GLN N N 121 117.670 117.670 118.317 -0.647 25642 1828 1 4 . 1 1 121 121 GLN C C 121 172.760 172.760 173.820 -1.060 25642 1829 1 4 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.730 1.150 25642 1830 1 4 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.806 0.774 25642 1831 1 4 . 1 1 121 121 GLN H H 121 8.950 8.950 7.627 1.323 25642 1832 1 4 . 1 1 122 122 LEU N N 122 126.250 126.250 119.554 6.696 25642 1833 1 4 . 1 1 122 122 LEU C C 122 173.300 173.300 175.814 -2.514 25642 1834 1 4 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.061 0.759 25642 1835 1 4 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.823 0.627 25642 1836 1 4 . 1 1 122 122 LEU H H 122 8.660 8.660 8.329 0.331 25642 1837 1 4 . 1 1 123 123 ALA N N 123 126.670 126.670 125.239 1.431 25642 1838 1 4 . 1 1 123 123 ALA C C 123 175.940 175.940 175.530 0.410 25642 1839 1 4 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.771 -2.201 25642 1840 1 4 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.707 0.643 25642 1841 1 4 . 1 1 123 123 ALA H H 123 8.090 8.090 8.720 -0.630 25642 1842 1 4 . 1 1 124 124 MET N N 124 119.800 119.800 122.093 -2.293 25642 1843 1 4 . 1 1 124 124 MET C C 124 174.960 174.960 175.336 -0.376 25642 1844 1 4 . 1 1 124 124 MET CA C 124 54.770 54.770 54.838 -0.068 25642 1845 1 4 . 1 1 124 124 MET CB C 124 37.620 37.620 33.807 3.813 25642 1846 1 4 . 1 1 124 124 MET H H 124 8.810 8.810 8.583 0.227 25642 1847 1 4 . 1 1 125 125 GLU N N 125 125.500 125.500 123.480 2.020 25642 1848 1 4 . 1 1 125 125 GLU C C 125 175.410 175.410 175.348 0.062 25642 1849 1 4 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.035 0.635 25642 1850 1 4 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.517 -0.007 25642 1851 1 4 . 1 1 125 125 GLU H H 125 8.760 8.760 8.226 0.534 25642 1852 1 4 . 1 1 126 126 THR N N 126 118.440 118.440 113.782 4.658 25642 1853 1 4 . 1 1 126 126 THR C C 126 174.300 174.300 174.828 -0.528 25642 1854 1 4 . 1 1 126 126 THR CA C 126 65.870 65.870 64.050 1.820 25642 1855 1 4 . 1 1 126 126 THR CB C 126 69.050 69.050 69.165 -0.115 25642 1856 1 4 . 1 1 127 127 GLY N N 127 116.970 116.970 110.506 6.464 25642 1857 1 4 . 1 1 127 127 GLY C C 127 175.320 175.320 173.182 2.138 25642 1858 1 4 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.946 0.054 25642 1859 1 4 . 1 1 128 128 ALA N N 128 124.190 124.190 123.175 1.015 25642 1860 1 4 . 1 1 128 128 ALA C C 128 177.670 177.670 175.941 1.729 25642 1861 1 4 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.279 2.361 25642 1862 1 4 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.569 0.181 25642 1863 1 4 . 1 1 128 128 ALA H H 128 7.930 7.930 7.388 0.542 25642 1864 1 4 . 1 1 129 129 PHE N N 129 127.300 127.300 124.631 2.669 25642 1865 1 4 . 1 1 129 129 PHE C C 129 173.400 173.400 173.584 -0.184 25642 1866 1 4 . 1 1 129 129 PHE CA C 129 56.890 56.890 57.217 -0.327 25642 1867 1 4 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.939 -1.419 25642 1868 1 4 . 1 1 129 129 PHE H H 129 8.550 8.550 8.193 0.357 25642 1869 1 4 . 1 1 130 130 PHE N N 130 131.220 131.220 125.623 5.597 25642 1870 1 4 . 1 1 130 130 PHE C C 130 173.550 173.550 173.851 -0.301 25642 1871 1 4 . 1 1 130 130 PHE CA C 130 53.370 53.370 56.143 -2.773 25642 1872 1 4 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.009 -0.549 25642 1873 1 4 . 1 1 130 130 PHE H H 130 8.860 8.860 8.893 -0.033 25642 1874 1 4 . 1 1 131 131 GLN N N 131 130.230 130.230 128.658 1.572 25642 1875 1 4 . 1 1 131 131 GLN C C 131 173.350 173.350 174.078 -0.728 25642 1876 1 4 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.296 -0.876 25642 1877 1 4 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.807 2.193 25642 1878 1 4 . 1 1 131 131 GLN H H 131 8.840 8.840 8.238 0.602 25642 1879 1 4 . 1 1 132 132 GLY N N 132 112.460 112.460 109.109 3.351 25642 1880 1 4 . 1 1 132 132 GLY C C 132 172.750 172.750 172.425 0.325 25642 1881 1 4 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.825 -0.355 25642 1882 1 4 . 1 1 133 133 ARG N N 133 119.950 119.950 120.215 -0.265 25642 1883 1 4 . 1 1 133 133 ARG C C 133 173.910 173.910 175.337 -1.427 25642 1884 1 4 . 1 1 133 133 ARG CA C 133 55.870 55.870 56.034 -0.164 25642 1885 1 4 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.872 1.318 25642 1886 1 4 . 1 1 133 133 ARG H H 133 8.470 8.470 8.193 0.277 25642 1887 1 4 . 1 1 134 134 SER N N 134 119.120 119.120 120.107 -0.987 25642 1888 1 4 . 1 1 134 134 SER C C 134 174.260 174.260 174.225 0.035 25642 1889 1 4 . 1 1 134 134 SER CA C 134 57.140 57.140 57.613 -0.473 25642 1890 1 4 . 1 1 134 134 SER CB C 134 63.450 63.450 64.304 -0.854 25642 1891 1 4 . 1 1 134 134 SER H H 134 8.680 8.680 8.528 0.152 25642 1892 1 4 . 1 1 135 135 LEU N N 135 127.740 127.740 129.316 -1.576 25642 1893 1 4 . 1 1 135 135 LEU C C 135 174.990 174.990 175.608 -0.618 25642 1894 1 4 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.869 -0.649 25642 1895 1 4 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.509 2.671 25642 1896 1 4 . 1 1 135 135 LEU H H 135 8.560 8.560 8.446 0.114 25642 1897 1 4 . 1 1 136 136 LYS N N 136 118.190 118.190 123.337 -5.147 25642 1898 1 4 . 1 1 136 136 LYS C C 136 178.030 178.030 175.975 2.055 25642 1899 1 4 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.542 -3.482 25642 1900 1 4 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.493 -1.483 25642 1901 1 4 . 1 1 136 136 LYS H H 136 8.180 8.180 8.355 -0.175 25642 1902 1 4 . 1 1 137 137 PHE N N 137 121.570 121.570 124.112 -2.542 25642 1903 1 4 . 1 1 137 137 PHE C C 137 176.370 176.370 175.554 0.816 25642 1904 1 4 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.185 1.755 25642 1905 1 4 . 1 1 137 137 PHE CB C 137 39.730 39.730 41.085 -1.355 25642 1906 1 4 . 1 1 137 137 PHE H H 137 7.800 7.800 8.509 -0.709 25642 1907 1 4 . 1 1 138 138 GLN N N 138 123.070 123.070 126.229 -3.159 25642 1908 1 4 . 1 1 138 138 GLN H H 138 8.560 8.560 8.005 0.555 25642 1909 1 5 . 1 1 38 38 VAL C C 38 175.900 175.900 174.959 0.941 25642 1910 1 5 . 1 1 39 39 ALA N N 39 130.020 130.020 120.782 9.238 25642 1911 1 5 . 1 1 39 39 ALA C C 39 177.440 177.440 176.724 0.716 25642 1912 1 5 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.285 1.095 25642 1913 1 5 . 1 1 39 39 ALA CB C 39 19.820 19.820 22.274 -2.454 25642 1914 1 5 . 1 1 39 39 ALA H H 39 8.200 8.200 7.545 0.655 25642 1915 1 5 . 1 1 40 40 SER N N 40 115.080 115.080 115.179 -0.099 25642 1916 1 5 . 1 1 40 40 SER C C 40 173.460 173.460 172.238 1.222 25642 1917 1 5 . 1 1 40 40 SER CA C 40 60.040 60.040 57.998 2.042 25642 1918 1 5 . 1 1 40 40 SER CB C 40 66.420 66.420 65.819 0.601 25642 1919 1 5 . 1 1 40 40 SER H H 40 7.970 7.970 8.135 -0.165 25642 1920 1 5 . 1 1 41 41 LEU N N 41 127.860 127.860 120.394 7.466 25642 1921 1 5 . 1 1 41 41 LEU C C 41 174.130 174.130 175.761 -1.631 25642 1922 1 5 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.965 0.695 25642 1923 1 5 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.233 2.067 25642 1924 1 5 . 1 1 41 41 LEU H H 41 9.490 9.490 8.340 1.150 25642 1925 1 5 . 1 1 42 42 LEU N N 42 126.730 126.730 124.001 2.729 25642 1926 1 5 . 1 1 42 42 LEU C C 42 175.120 175.120 176.855 -1.735 25642 1927 1 5 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.755 -1.044 25642 1928 1 5 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.840 -2.380 25642 1929 1 5 . 1 1 42 42 LEU H H 42 8.640 8.640 8.867 -0.227 25642 1930 1 5 . 1 1 43 43 SER N N 43 123.530 123.530 120.922 2.608 25642 1931 1 5 . 1 1 43 43 SER C C 43 172.810 172.810 175.017 -2.207 25642 1932 1 5 . 1 1 43 43 SER CA C 43 58.990 58.990 58.749 0.241 25642 1933 1 5 . 1 1 43 43 SER CB C 43 64.200 64.200 63.862 0.338 25642 1934 1 5 . 1 1 43 43 SER H H 43 9.060 9.060 8.695 0.365 25642 1935 1 5 . 1 1 44 44 ALA N N 44 119.250 119.250 121.045 -1.795 25642 1936 1 5 . 1 1 44 44 ALA C C 44 177.720 177.720 179.105 -1.385 25642 1937 1 5 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.566 0.434 25642 1938 1 5 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.886 -0.156 25642 1939 1 5 . 1 1 44 44 ALA H H 44 8.490 8.490 8.458 0.032 25642 1940 1 5 . 1 1 45 45 ASP N N 45 114.450 114.450 117.394 -2.944 25642 1941 1 5 . 1 1 45 45 ASP C C 45 175.800 175.800 174.835 0.965 25642 1942 1 5 . 1 1 45 45 ASP CA C 45 53.980 53.980 53.917 0.063 25642 1943 1 5 . 1 1 45 45 ASP CB C 45 41.680 41.680 38.519 3.161 25642 1944 1 5 . 1 1 45 45 ASP H H 45 8.080 8.080 8.755 -0.675 25642 1945 1 5 . 1 1 46 46 LEU N N 46 122.200 122.200 120.858 1.342 25642 1946 1 5 . 1 1 46 46 LEU C C 46 176.290 176.290 174.962 1.328 25642 1947 1 5 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.604 0.016 25642 1948 1 5 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.368 0.592 25642 1949 1 5 . 1 1 46 46 LEU H H 46 7.860 7.860 7.654 0.206 25642 1950 1 5 . 1 1 47 47 THR N N 47 119.850 119.850 120.069 -0.219 25642 1951 1 5 . 1 1 47 47 THR C C 47 174.140 174.140 173.632 0.508 25642 1952 1 5 . 1 1 47 47 THR CA C 47 61.650 61.650 61.266 0.384 25642 1953 1 5 . 1 1 47 47 THR CB C 47 71.210 71.210 71.348 -0.138 25642 1954 1 5 . 1 1 47 47 THR H H 47 9.000 9.000 8.271 0.729 25642 1955 1 5 . 1 1 48 48 ILE N N 48 128.090 128.090 126.380 1.710 25642 1956 1 5 . 1 1 48 48 ILE C C 48 174.810 174.810 175.093 -0.283 25642 1957 1 5 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.175 -1.025 25642 1958 1 5 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.034 1.076 25642 1959 1 5 . 1 1 48 48 ILE H H 48 9.330 9.330 8.230 1.100 25642 1960 1 5 . 1 1 49 49 GLU N N 49 129.080 129.080 124.631 4.449 25642 1961 1 5 . 1 1 49 49 GLU C C 49 175.160 175.160 177.166 -2.006 25642 1962 1 5 . 1 1 49 49 GLU CA C 49 54.500 54.500 54.905 -0.405 25642 1963 1 5 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.770 -2.410 25642 1964 1 5 . 1 1 49 49 GLU H H 49 8.830 8.830 8.296 0.534 25642 1965 1 5 . 1 1 50 50 GLY N N 50 114.250 114.250 114.558 -0.308 25642 1966 1 5 . 1 1 50 50 GLY C C 50 170.510 170.510 173.506 -2.996 25642 1967 1 5 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.544 -0.484 25642 1968 1 5 . 1 1 50 50 GLY H H 50 8.320 8.320 8.733 -0.413 25642 1969 1 5 . 1 1 51 51 GLY N N 51 102.740 102.740 109.127 -6.387 25642 1970 1 5 . 1 1 51 51 GLY C C 51 174.230 174.230 172.786 1.444 25642 1971 1 5 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.304 -0.424 25642 1972 1 5 . 1 1 51 51 GLY H H 51 8.000 8.000 8.009 -0.009 25642 1973 1 5 . 1 1 52 52 VAL N N 52 122.770 122.770 124.036 -1.266 25642 1974 1 5 . 1 1 52 52 VAL C C 52 175.290 175.290 174.521 0.769 25642 1975 1 5 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.730 0.440 25642 1976 1 5 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.508 -0.558 25642 1977 1 5 . 1 1 52 52 VAL H H 52 8.550 8.550 8.279 0.271 25642 1978 1 5 . 1 1 53 53 THR N N 53 121.860 121.860 122.029 -0.169 25642 1979 1 5 . 1 1 53 53 THR C C 53 173.790 173.790 174.133 -0.343 25642 1980 1 5 . 1 1 53 53 THR CA C 53 60.580 60.580 60.184 0.396 25642 1981 1 5 . 1 1 53 53 THR CB C 53 72.310 72.310 69.936 2.374 25642 1982 1 5 . 1 1 53 53 THR H H 53 9.150 9.150 8.400 0.750 25642 1983 1 5 . 1 1 54 54 GLY N N 54 112.960 112.960 112.822 0.138 25642 1984 1 5 . 1 1 54 54 GLY C C 54 172.530 172.530 171.956 0.574 25642 1985 1 5 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.379 0.491 25642 1986 1 5 . 1 1 54 54 GLY H H 54 9.080 9.080 8.216 0.864 25642 1987 1 5 . 1 1 55 55 GLU N N 55 118.200 118.200 117.159 1.041 25642 1988 1 5 . 1 1 55 55 GLU C C 55 177.350 177.350 176.023 1.327 25642 1989 1 5 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.593 0.507 25642 1990 1 5 . 1 1 55 55 GLU CB C 55 31.140 31.140 32.570 -1.430 25642 1991 1 5 . 1 1 55 55 GLU H H 55 8.790 8.790 8.648 0.142 25642 1992 1 5 . 1 1 56 56 GLY N N 56 109.740 109.740 109.193 0.547 25642 1993 1 5 . 1 1 56 56 GLY C C 56 173.400 173.400 173.405 -0.005 25642 1994 1 5 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.621 0.069 25642 1995 1 5 . 1 1 56 56 GLY H H 56 8.580 8.580 8.445 0.135 25642 1996 1 5 . 1 1 57 57 GLU N N 57 122.180 122.180 121.826 0.354 25642 1997 1 5 . 1 1 57 57 GLU C C 57 175.970 175.970 174.936 1.034 25642 1998 1 5 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.677 -0.577 25642 1999 1 5 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.836 -0.066 25642 2000 1 5 . 1 1 57 57 GLU H H 57 8.810 8.810 8.246 0.564 25642 2001 1 5 . 1 1 58 58 LEU N N 58 126.040 126.040 127.853 -1.813 25642 2002 1 5 . 1 1 58 58 LEU C C 58 173.100 173.100 174.130 -1.030 25642 2003 1 5 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.099 -0.419 25642 2004 1 5 . 1 1 58 58 LEU CB C 58 46.440 46.440 45.584 0.856 25642 2005 1 5 . 1 1 58 58 LEU H H 58 8.720 8.720 8.278 0.442 25642 2006 1 5 . 1 1 59 59 GLN N N 59 127.940 127.940 128.125 -0.185 25642 2007 1 5 . 1 1 59 59 GLN C C 59 174.540 174.540 174.122 0.418 25642 2008 1 5 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.483 -0.643 25642 2009 1 5 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.280 0.510 25642 2010 1 5 . 1 1 59 59 GLN H H 59 8.400 8.400 9.065 -0.665 25642 2011 1 5 . 1 1 60 60 ILE N N 60 124.610 124.610 128.917 -4.307 25642 2012 1 5 . 1 1 60 60 ILE C C 60 174.340 174.340 173.638 0.702 25642 2013 1 5 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.220 2.110 25642 2014 1 5 . 1 1 60 60 ILE CB C 60 40.750 40.750 39.088 1.662 25642 2015 1 5 . 1 1 60 60 ILE H H 60 9.100 9.100 8.380 0.720 25642 2016 1 5 . 1 1 61 61 ASP N N 61 127.350 127.350 129.429 -2.079 25642 2017 1 5 . 1 1 61 61 ASP C C 61 176.210 176.210 174.866 1.344 25642 2018 1 5 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.128 0.772 25642 2019 1 5 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.516 0.964 25642 2020 1 5 . 1 1 61 61 ASP H H 61 9.070 9.070 8.018 1.052 25642 2021 1 5 . 1 1 62 62 GLY N N 62 110.340 110.340 106.907 3.433 25642 2022 1 5 . 1 1 62 62 GLY C C 62 170.870 170.870 171.964 -1.094 25642 2023 1 5 . 1 1 62 62 GLY CA C 62 45.490 45.490 43.962 1.528 25642 2024 1 5 . 1 1 62 62 GLY H H 62 6.590 6.590 7.605 -1.015 25642 2025 1 5 . 1 1 63 63 VAL N N 63 122.570 122.570 119.729 2.841 25642 2026 1 5 . 1 1 63 63 VAL C C 63 176.030 176.030 174.436 1.594 25642 2027 1 5 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.011 0.999 25642 2028 1 5 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.385 1.465 25642 2029 1 5 . 1 1 63 63 VAL H H 63 8.070 8.070 7.783 0.287 25642 2030 1 5 . 1 1 64 64 VAL N N 64 125.470 125.470 130.348 -4.878 25642 2031 1 5 . 1 1 64 64 VAL C C 64 174.410 174.410 174.049 0.361 25642 2032 1 5 . 1 1 64 64 VAL CA C 64 61.220 61.220 62.094 -0.874 25642 2033 1 5 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.384 3.306 25642 2034 1 5 . 1 1 64 64 VAL H H 64 9.010 9.010 8.045 0.965 25642 2035 1 5 . 1 1 65 65 LYS N N 65 129.120 129.120 129.021 0.099 25642 2036 1 5 . 1 1 65 65 LYS C C 65 175.120 175.120 175.906 -0.786 25642 2037 1 5 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.102 0.208 25642 2038 1 5 . 1 1 65 65 LYS CB C 65 32.440 32.440 33.574 -1.134 25642 2039 1 5 . 1 1 65 65 LYS H H 65 9.150 9.150 8.566 0.584 25642 2040 1 5 . 1 1 66 66 GLY N N 66 115.020 115.020 114.862 0.158 25642 2041 1 5 . 1 1 66 66 GLY C C 66 170.210 170.210 172.249 -2.039 25642 2042 1 5 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.864 -0.384 25642 2043 1 5 . 1 1 66 66 GLY H H 66 8.300 8.300 7.866 0.434 25642 2044 1 5 . 1 1 67 67 ASP N N 67 115.420 115.420 122.342 -6.922 25642 2045 1 5 . 1 1 67 67 ASP C C 67 176.920 176.920 174.659 2.261 25642 2046 1 5 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.563 0.767 25642 2047 1 5 . 1 1 67 67 ASP CB C 67 41.950 41.950 44.393 -2.443 25642 2048 1 5 . 1 1 67 67 ASP H H 67 7.690 7.690 8.219 -0.529 25642 2049 1 5 . 1 1 68 68 VAL N N 68 122.440 122.440 121.898 0.542 25642 2050 1 5 . 1 1 68 68 VAL C C 68 174.450 174.450 173.097 1.353 25642 2051 1 5 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.034 0.936 25642 2052 1 5 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.791 -0.551 25642 2053 1 5 . 1 1 68 68 VAL H H 68 8.930 8.930 8.124 0.806 25642 2054 1 5 . 1 1 69 69 ARG N N 69 130.610 130.610 128.165 2.445 25642 2055 1 5 . 1 1 69 69 ARG C C 69 175.150 175.150 174.247 0.903 25642 2056 1 5 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.411 0.409 25642 2057 1 5 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.374 -1.374 25642 2058 1 5 . 1 1 69 69 ARG H H 69 9.110 9.110 8.439 0.671 25642 2059 1 5 . 1 1 70 70 VAL N N 70 114.530 114.530 122.921 -8.391 25642 2060 1 5 . 1 1 70 70 VAL C C 70 175.440 175.440 173.993 1.447 25642 2061 1 5 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.893 -2.493 25642 2062 1 5 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.787 -0.417 25642 2063 1 5 . 1 1 70 70 VAL H H 70 8.290 8.290 7.787 0.503 25642 2064 1 5 . 1 1 71 71 GLY N N 71 108.150 108.150 108.760 -0.610 25642 2065 1 5 . 1 1 71 71 GLY C C 71 174.710 174.710 173.872 0.838 25642 2066 1 5 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.344 1.556 25642 2067 1 5 . 1 1 71 71 GLY H H 71 8.110 8.110 8.347 -0.237 25642 2068 1 5 . 1 1 72 72 ARG N N 72 120.660 120.660 121.033 -0.373 25642 2069 1 5 . 1 1 72 72 ARG C C 72 173.620 173.620 174.288 -0.668 25642 2070 1 5 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.793 0.527 25642 2071 1 5 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.117 1.663 25642 2072 1 5 . 1 1 72 72 ARG H H 72 7.690 7.690 8.101 -0.411 25642 2073 1 5 . 1 1 73 73 LEU N N 73 125.710 125.710 127.870 -2.160 25642 2074 1 5 . 1 1 73 73 LEU C C 73 175.230 175.230 174.992 0.238 25642 2075 1 5 . 1 1 73 73 LEU CA C 73 52.550 52.550 54.033 -1.483 25642 2076 1 5 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.224 1.306 25642 2077 1 5 . 1 1 73 73 LEU H H 73 8.570 8.570 8.736 -0.166 25642 2078 1 5 . 1 1 74 74 THR N N 74 123.150 123.150 124.583 -1.433 25642 2079 1 5 . 1 1 74 74 THR C C 74 173.670 173.670 173.596 0.074 25642 2080 1 5 . 1 1 74 74 THR CA C 74 61.480 61.480 61.554 -0.074 25642 2081 1 5 . 1 1 74 74 THR CB C 74 70.710 70.710 69.951 0.759 25642 2082 1 5 . 1 1 74 74 THR H H 74 8.860 8.860 8.454 0.406 25642 2083 1 5 . 1 1 75 75 VAL N N 75 127.890 127.890 128.570 -0.680 25642 2084 1 5 . 1 1 75 75 VAL C C 75 176.800 176.800 176.606 0.194 25642 2085 1 5 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.450 -1.321 25642 2086 1 5 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.543 2.297 25642 2087 1 5 . 1 1 75 75 VAL H H 75 8.910 8.910 8.605 0.305 25642 2088 1 5 . 1 1 76 76 GLY N N 76 116.590 116.590 115.364 1.226 25642 2089 1 5 . 1 1 76 76 GLY C C 76 174.060 174.060 174.497 -0.437 25642 2090 1 5 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.507 -0.277 25642 2091 1 5 . 1 1 76 76 GLY H H 76 8.980 8.980 8.293 0.687 25642 2092 1 5 . 1 1 77 77 GLU N N 77 121.140 121.140 118.950 2.190 25642 2093 1 5 . 1 1 77 77 GLU C C 77 178.620 178.620 178.754 -0.134 25642 2094 1 5 . 1 1 77 77 GLU CA C 77 60.500 60.500 57.436 3.064 25642 2095 1 5 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.698 0.422 25642 2096 1 5 . 1 1 77 77 GLU H H 77 9.260 9.260 8.319 0.941 25642 2097 1 5 . 1 1 78 78 THR N N 78 105.330 105.330 116.015 -10.685 25642 2098 1 5 . 1 1 78 78 THR C C 78 174.990 174.990 174.766 0.224 25642 2099 1 5 . 1 1 78 78 THR CA C 78 62.040 62.040 64.368 -2.328 25642 2100 1 5 . 1 1 78 78 THR CB C 78 69.880 69.880 68.774 1.106 25642 2101 1 5 . 1 1 78 78 THR H H 78 8.010 8.010 8.806 -0.796 25642 2102 1 5 . 1 1 79 79 GLY N N 79 111.420 111.420 108.914 2.506 25642 2103 1 5 . 1 1 79 79 GLY C C 79 174.270 174.270 173.622 0.648 25642 2104 1 5 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.956 -0.707 25642 2105 1 5 . 1 1 79 79 GLY H H 79 8.240 8.240 7.770 0.470 25642 2106 1 5 . 1 1 80 80 HIS N N 80 123.970 123.970 117.327 6.643 25642 2107 1 5 . 1 1 80 80 HIS C C 80 173.800 173.800 174.165 -0.365 25642 2108 1 5 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.647 0.213 25642 2109 1 5 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.779 3.291 25642 2110 1 5 . 1 1 80 80 HIS H H 80 8.860 8.860 7.357 1.503 25642 2111 1 5 . 1 1 81 81 VAL N N 81 125.720 125.720 125.545 0.175 25642 2112 1 5 . 1 1 81 81 VAL C C 81 174.580 174.580 173.221 1.359 25642 2113 1 5 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.319 -1.659 25642 2114 1 5 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.836 0.024 25642 2115 1 5 . 1 1 81 81 VAL H H 81 8.900 8.900 8.467 0.433 25642 2116 1 5 . 1 1 82 82 GLU N N 82 129.500 129.500 128.137 1.363 25642 2117 1 5 . 1 1 82 82 GLU C C 82 175.200 175.200 174.898 0.302 25642 2118 1 5 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.972 -1.072 25642 2119 1 5 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.639 -1.769 25642 2120 1 5 . 1 1 82 82 GLU H H 82 9.270 9.270 8.747 0.523 25642 2121 1 5 . 1 1 83 83 GLY N N 83 114.070 114.070 111.622 2.448 25642 2122 1 5 . 1 1 83 83 GLY C C 83 171.310 171.310 172.484 -1.174 25642 2123 1 5 . 1 1 83 83 GLY CA C 83 44.950 44.950 44.959 -0.009 25642 2124 1 5 . 1 1 83 83 GLY H H 83 8.450 8.450 8.110 0.340 25642 2125 1 5 . 1 1 84 84 SER N N 84 113.810 113.810 117.946 -4.136 25642 2126 1 5 . 1 1 84 84 SER C C 84 173.140 173.140 173.898 -0.758 25642 2127 1 5 . 1 1 84 84 SER CA C 84 57.720 57.720 57.719 0.001 25642 2128 1 5 . 1 1 84 84 SER CB C 84 64.950 64.950 63.836 1.114 25642 2129 1 5 . 1 1 84 84 SER H H 84 8.320 8.320 8.225 0.095 25642 2130 1 5 . 1 1 85 85 VAL N N 85 121.060 121.060 125.613 -4.553 25642 2131 1 5 . 1 1 85 85 VAL C C 85 174.960 174.960 174.376 0.584 25642 2132 1 5 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.006 -0.586 25642 2133 1 5 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.744 2.156 25642 2134 1 5 . 1 1 85 85 VAL H H 85 8.730 8.730 7.865 0.865 25642 2135 1 5 . 1 1 86 86 TYR N N 86 129.090 129.090 126.088 3.002 25642 2136 1 5 . 1 1 86 86 TYR C C 86 174.420 174.420 174.109 0.311 25642 2137 1 5 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.584 -0.124 25642 2138 1 5 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.929 -0.079 25642 2139 1 5 . 1 1 86 86 TYR H H 86 9.580 9.580 8.494 1.086 25642 2140 1 5 . 1 1 87 87 ALA N N 87 122.670 122.670 126.034 -3.364 25642 2141 1 5 . 1 1 87 87 ALA C C 87 177.320 177.320 176.046 1.274 25642 2142 1 5 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.058 0.202 25642 2143 1 5 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.968 0.482 25642 2144 1 5 . 1 1 87 87 ALA H H 87 8.080 8.080 8.402 -0.322 25642 2145 1 5 . 1 1 88 88 GLU N N 88 120.180 120.180 118.618 1.562 25642 2146 1 5 . 1 1 88 88 GLU C C 88 177.310 177.310 176.214 1.096 25642 2147 1 5 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.447 1.743 25642 2148 1 5 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.010 -1.360 25642 2149 1 5 . 1 1 88 88 GLU H H 88 8.640 8.640 8.135 0.505 25642 2150 1 5 . 1 1 89 89 ALA N N 89 118.770 118.770 119.538 -0.768 25642 2151 1 5 . 1 1 89 89 ALA C C 89 175.890 175.890 175.133 0.757 25642 2152 1 5 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.678 0.832 25642 2153 1 5 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.706 -0.436 25642 2154 1 5 . 1 1 89 89 ALA H H 89 7.340 7.340 7.715 -0.375 25642 2155 1 5 . 1 1 90 90 VAL N N 90 119.720 119.720 117.295 2.425 25642 2156 1 5 . 1 1 90 90 VAL C C 90 174.710 174.710 173.737 0.973 25642 2157 1 5 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.050 -0.530 25642 2158 1 5 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.657 0.333 25642 2159 1 5 . 1 1 90 90 VAL H H 90 8.490 8.490 8.055 0.435 25642 2160 1 5 . 1 1 91 91 GLU N N 91 128.200 128.200 126.912 1.288 25642 2161 1 5 . 1 1 91 91 GLU C C 91 175.470 175.470 175.100 0.370 25642 2162 1 5 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.100 0.690 25642 2163 1 5 . 1 1 91 91 GLU CB C 91 32.680 32.680 33.015 -0.335 25642 2164 1 5 . 1 1 91 91 GLU H H 91 9.070 9.070 9.041 0.029 25642 2165 1 5 . 1 1 92 92 VAL N N 92 122.080 122.080 126.937 -4.857 25642 2166 1 5 . 1 1 92 92 VAL C C 92 174.490 174.490 174.823 -0.333 25642 2167 1 5 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.617 1.043 25642 2168 1 5 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.712 0.378 25642 2169 1 5 . 1 1 92 92 VAL H H 92 9.450 9.450 8.518 0.932 25642 2170 1 5 . 1 1 93 93 ARG N N 93 123.900 123.900 124.749 -0.849 25642 2171 1 5 . 1 1 93 93 ARG C C 93 176.280 176.280 174.984 1.296 25642 2172 1 5 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.217 1.073 25642 2173 1 5 . 1 1 93 93 ARG CB C 93 30.890 30.890 32.147 -1.257 25642 2174 1 5 . 1 1 93 93 ARG H H 93 9.200 9.200 8.270 0.930 25642 2175 1 5 . 1 1 94 94 GLY N N 94 111.100 111.100 105.674 5.426 25642 2176 1 5 . 1 1 94 94 GLY C C 94 170.710 170.710 172.402 -1.692 25642 2177 1 5 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.933 0.857 25642 2178 1 5 . 1 1 94 94 GLY H H 94 6.250 6.250 8.032 -1.782 25642 2179 1 5 . 1 1 95 95 ARG N N 95 126.190 126.190 120.280 5.910 25642 2180 1 5 . 1 1 95 95 ARG C C 95 175.570 175.570 175.251 0.319 25642 2181 1 5 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.482 -0.812 25642 2182 1 5 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.855 1.065 25642 2183 1 5 . 1 1 95 95 ARG H H 95 8.140 8.140 7.752 0.388 25642 2184 1 5 . 1 1 96 96 VAL N N 96 124.800 124.800 122.784 2.016 25642 2185 1 5 . 1 1 96 96 VAL C C 96 174.070 174.070 174.468 -0.398 25642 2186 1 5 . 1 1 96 96 VAL CA C 96 61.160 61.160 61.066 0.094 25642 2187 1 5 . 1 1 96 96 VAL CB C 96 35.860 35.860 33.904 1.956 25642 2188 1 5 . 1 1 96 96 VAL H H 96 9.430 9.430 8.567 0.863 25642 2189 1 5 . 1 1 97 97 VAL N N 97 128.010 128.010 120.817 7.193 25642 2190 1 5 . 1 1 97 97 VAL C C 97 176.430 176.430 175.233 1.197 25642 2191 1 5 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.384 1.696 25642 2192 1 5 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.220 0.410 25642 2193 1 5 . 1 1 97 97 VAL H H 97 9.260 9.260 8.938 0.322 25642 2194 1 5 . 1 1 98 98 GLY N N 98 116.340 116.340 115.313 1.027 25642 2195 1 5 . 1 1 98 98 GLY C C 98 171.770 171.770 172.093 -0.323 25642 2196 1 5 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.346 -0.456 25642 2197 1 5 . 1 1 98 98 GLY H H 98 8.600 8.600 8.260 0.340 25642 2198 1 5 . 1 1 99 99 ALA N N 99 124.110 124.110 123.388 0.722 25642 2199 1 5 . 1 1 99 99 ALA C C 99 176.060 176.060 174.880 1.180 25642 2200 1 5 . 1 1 99 99 ALA CA C 99 51.690 51.690 52.015 -0.325 25642 2201 1 5 . 1 1 99 99 ALA CB C 99 21.700 21.700 21.758 -0.058 25642 2202 1 5 . 1 1 99 99 ALA H H 99 8.110 8.110 7.660 0.450 25642 2203 1 5 . 1 1 100 100 ILE N N 100 119.340 119.340 116.135 3.205 25642 2204 1 5 . 1 1 100 100 ILE C C 100 174.770 174.770 173.502 1.268 25642 2205 1 5 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.642 0.978 25642 2206 1 5 . 1 1 100 100 ILE CB C 100 42.320 42.320 42.009 0.311 25642 2207 1 5 . 1 1 100 100 ILE H H 100 8.910 8.910 8.141 0.769 25642 2208 1 5 . 1 1 101 101 THR N N 101 127.010 127.010 120.819 6.191 25642 2209 1 5 . 1 1 101 101 THR C C 101 173.980 173.980 173.416 0.564 25642 2210 1 5 . 1 1 101 101 THR CA C 101 61.620 61.620 61.351 0.269 25642 2211 1 5 . 1 1 101 101 THR CB C 101 69.700 69.700 70.570 -0.870 25642 2212 1 5 . 1 1 101 101 THR H H 101 8.950 8.950 8.670 0.280 25642 2213 1 5 . 1 1 102 102 SER N N 102 119.870 119.870 121.117 -1.247 25642 2214 1 5 . 1 1 102 102 SER C C 102 174.000 174.000 174.385 -0.385 25642 2215 1 5 . 1 1 102 102 SER CA C 102 56.190 56.190 56.465 -0.275 25642 2216 1 5 . 1 1 102 102 SER CB C 102 64.710 64.710 66.504 -1.794 25642 2217 1 5 . 1 1 102 102 SER H H 102 8.800 8.800 8.471 0.329 25642 2218 1 5 . 1 1 103 103 LYS N N 103 124.650 124.650 121.243 3.407 25642 2219 1 5 . 1 1 103 103 LYS C C 103 177.200 177.200 177.003 0.197 25642 2220 1 5 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.159 3.141 25642 2221 1 5 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.221 -0.711 25642 2222 1 5 . 1 1 103 103 LYS H H 103 7.560 7.560 8.678 -1.118 25642 2223 1 5 . 1 1 104 104 GLN N N 104 115.370 115.370 116.786 -1.416 25642 2224 1 5 . 1 1 104 104 GLN C C 104 174.650 174.650 173.464 1.186 25642 2225 1 5 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.802 0.058 25642 2226 1 5 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.101 -1.221 25642 2227 1 5 . 1 1 104 104 GLN H H 104 7.650 7.650 7.584 0.066 25642 2228 1 5 . 1 1 105 105 VAL N N 105 125.510 125.510 123.724 1.786 25642 2229 1 5 . 1 1 105 105 VAL C C 105 174.530 174.530 173.267 1.263 25642 2230 1 5 . 1 1 105 105 VAL CA C 105 60.920 60.920 59.899 1.021 25642 2231 1 5 . 1 1 105 105 VAL CB C 105 35.000 35.000 36.096 -1.096 25642 2232 1 5 . 1 1 105 105 VAL H H 105 8.670 8.670 8.282 0.388 25642 2233 1 5 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.506 0.544 25642 2234 1 5 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.468 0.272 25642 2235 1 5 . 1 1 106 106 ARG H H 106 8.560 8.560 8.370 0.190 25642 2236 1 5 . 1 1 107 107 LEU N N 107 125.820 125.820 126.542 -0.722 25642 2237 1 5 . 1 1 107 107 LEU C C 107 176.190 176.190 175.789 0.401 25642 2238 1 5 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.439 -0.869 25642 2239 1 5 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.648 0.482 25642 2240 1 5 . 1 1 107 107 LEU H H 107 8.730 8.730 8.332 0.398 25642 2241 1 5 . 1 1 108 108 TYR N N 108 120.870 120.870 124.076 -3.206 25642 2242 1 5 . 1 1 108 108 TYR C C 108 178.880 178.880 177.100 1.780 25642 2243 1 5 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.685 0.845 25642 2244 1 5 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.553 -0.773 25642 2245 1 5 . 1 1 108 108 TYR H H 108 8.280 8.280 8.622 -0.342 25642 2246 1 5 . 1 1 109 109 GLY N N 109 112.380 112.380 109.688 2.692 25642 2247 1 5 . 1 1 109 109 GLY C C 109 172.330 172.330 174.916 -2.586 25642 2248 1 5 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.110 2.170 25642 2249 1 5 . 1 1 109 109 GLY H H 109 10.080 10.080 8.687 1.393 25642 2250 1 5 . 1 1 110 110 THR N N 110 103.280 103.280 113.610 -10.330 25642 2251 1 5 . 1 1 110 110 THR C C 110 175.370 175.370 174.859 0.511 25642 2252 1 5 . 1 1 110 110 THR CA C 110 61.220 61.220 61.252 -0.032 25642 2253 1 5 . 1 1 110 110 THR CB C 110 70.160 70.160 67.887 2.273 25642 2254 1 5 . 1 1 110 110 THR H H 110 6.910 6.910 8.473 -1.563 25642 2255 1 5 . 1 1 111 111 SER N N 111 118.040 118.040 116.127 1.913 25642 2256 1 5 . 1 1 111 111 SER C C 111 174.740 174.740 173.402 1.338 25642 2257 1 5 . 1 1 111 111 SER CA C 111 59.070 59.070 59.204 -0.134 25642 2258 1 5 . 1 1 111 111 SER CB C 111 67.870 67.870 64.239 3.631 25642 2259 1 5 . 1 1 111 111 SER H H 111 7.960 7.960 7.734 0.226 25642 2260 1 5 . 1 1 112 112 TYR N N 112 124.220 124.220 122.277 1.943 25642 2261 1 5 . 1 1 112 112 TYR C C 112 174.090 174.090 173.888 0.202 25642 2262 1 5 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.099 0.311 25642 2263 1 5 . 1 1 112 112 TYR CB C 112 41.690 41.690 41.435 0.255 25642 2264 1 5 . 1 1 112 112 TYR H H 112 8.720 8.720 8.069 0.651 25642 2265 1 5 . 1 1 113 113 VAL N N 113 129.090 129.090 129.815 -0.725 25642 2266 1 5 . 1 1 113 113 VAL C C 113 173.870 173.870 173.526 0.344 25642 2267 1 5 . 1 1 113 113 VAL CA C 113 61.040 61.040 61.014 0.027 25642 2268 1 5 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.703 1.227 25642 2269 1 5 . 1 1 113 113 VAL H H 113 9.640 9.640 8.693 0.947 25642 2270 1 5 . 1 1 114 114 ASP N N 114 127.460 127.460 126.576 0.884 25642 2271 1 5 . 1 1 114 114 ASP C C 114 176.250 176.250 174.840 1.410 25642 2272 1 5 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.287 -0.817 25642 2273 1 5 . 1 1 114 114 ASP CB C 114 43.220 43.220 44.001 -0.781 25642 2274 1 5 . 1 1 114 114 ASP H H 114 8.630 8.630 8.339 0.291 25642 2275 1 5 . 1 1 115 115 GLY N N 115 113.040 113.040 111.236 1.804 25642 2276 1 5 . 1 1 115 115 GLY C C 115 171.140 171.140 172.579 -1.439 25642 2277 1 5 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.851 0.299 25642 2278 1 5 . 1 1 115 115 GLY H H 115 8.880 8.880 8.013 0.867 25642 2279 1 5 . 1 1 116 116 ASP N N 116 117.450 117.450 122.480 -5.030 25642 2280 1 5 . 1 1 116 116 ASP C C 116 176.850 176.850 175.670 1.180 25642 2281 1 5 . 1 1 116 116 ASP CA C 116 53.360 53.360 54.029 -0.669 25642 2282 1 5 . 1 1 116 116 ASP CB C 116 42.370 42.370 40.922 1.448 25642 2283 1 5 . 1 1 116 116 ASP H H 116 7.390 7.390 8.117 -0.727 25642 2284 1 5 . 1 1 117 117 ILE N N 117 121.440 121.440 126.983 -5.543 25642 2285 1 5 . 1 1 117 117 ILE C C 117 176.780 176.780 173.718 3.062 25642 2286 1 5 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.660 1.060 25642 2287 1 5 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.490 -2.861 25642 2288 1 5 . 1 1 117 117 ILE H H 117 9.200 9.200 7.944 1.256 25642 2289 1 5 . 1 1 118 118 THR N N 118 131.550 131.550 124.466 7.084 25642 2290 1 5 . 1 1 118 118 THR C C 118 173.630 173.630 172.711 0.919 25642 2291 1 5 . 1 1 118 118 THR CA C 118 62.110 62.110 61.206 0.904 25642 2292 1 5 . 1 1 118 118 THR CB C 118 67.860 67.860 70.311 -2.451 25642 2293 1 5 . 1 1 118 118 THR H H 118 9.560 9.560 8.398 1.162 25642 2294 1 5 . 1 1 119 119 HIS N N 119 121.300 121.300 123.205 -1.905 25642 2295 1 5 . 1 1 119 119 HIS C C 119 174.780 174.780 173.563 1.217 25642 2296 1 5 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.885 1.966 25642 2297 1 5 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.593 0.957 25642 2298 1 5 . 1 1 119 119 HIS H H 119 8.290 8.290 8.163 0.127 25642 2299 1 5 . 1 1 120 120 GLU N N 120 118.130 118.130 119.066 -0.936 25642 2300 1 5 . 1 1 120 120 GLU C C 120 177.120 177.120 176.669 0.451 25642 2301 1 5 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.256 1.524 25642 2302 1 5 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.650 -0.350 25642 2303 1 5 . 1 1 120 120 GLU H H 120 7.710 7.710 8.768 -1.058 25642 2304 1 5 . 1 1 121 121 GLN N N 121 117.670 117.670 118.081 -0.411 25642 2305 1 5 . 1 1 121 121 GLN C C 121 172.760 172.760 174.260 -1.500 25642 2306 1 5 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.846 1.034 25642 2307 1 5 . 1 1 121 121 GLN CB C 121 32.580 32.580 30.793 1.787 25642 2308 1 5 . 1 1 121 121 GLN H H 121 8.950 8.950 7.717 1.233 25642 2309 1 5 . 1 1 122 122 LEU N N 122 126.250 126.250 119.043 7.207 25642 2310 1 5 . 1 1 122 122 LEU C C 122 173.300 173.300 175.523 -2.223 25642 2311 1 5 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.195 0.625 25642 2312 1 5 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.221 0.229 25642 2313 1 5 . 1 1 122 122 LEU H H 122 8.660 8.660 8.284 0.376 25642 2314 1 5 . 1 1 123 123 ALA N N 123 126.670 126.670 125.636 1.034 25642 2315 1 5 . 1 1 123 123 ALA C C 123 175.940 175.940 175.583 0.357 25642 2316 1 5 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.022 -1.452 25642 2317 1 5 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.562 -0.212 25642 2318 1 5 . 1 1 123 123 ALA H H 123 8.090 8.090 8.977 -0.887 25642 2319 1 5 . 1 1 124 124 MET N N 124 119.800 119.800 120.407 -0.607 25642 2320 1 5 . 1 1 124 124 MET C C 124 174.960 174.960 175.117 -0.157 25642 2321 1 5 . 1 1 124 124 MET CA C 124 54.770 54.770 54.672 0.098 25642 2322 1 5 . 1 1 124 124 MET CB C 124 37.620 37.620 34.205 3.415 25642 2323 1 5 . 1 1 124 124 MET H H 124 8.810 8.810 8.445 0.365 25642 2324 1 5 . 1 1 125 125 GLU N N 125 125.500 125.500 123.698 1.802 25642 2325 1 5 . 1 1 125 125 GLU C C 125 175.410 175.410 175.612 -0.202 25642 2326 1 5 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.339 0.331 25642 2327 1 5 . 1 1 125 125 GLU CB C 125 31.510 31.510 30.704 0.806 25642 2328 1 5 . 1 1 125 125 GLU H H 125 8.760 8.760 8.199 0.561 25642 2329 1 5 . 1 1 126 126 THR N N 126 118.440 118.440 114.331 4.109 25642 2330 1 5 . 1 1 126 126 THR C C 126 174.300 174.300 175.043 -0.743 25642 2331 1 5 . 1 1 126 126 THR CA C 126 65.870 65.870 64.775 1.095 25642 2332 1 5 . 1 1 126 126 THR CB C 126 69.050 69.050 69.159 -0.109 25642 2333 1 5 . 1 1 127 127 GLY N N 127 116.970 116.970 112.222 4.748 25642 2334 1 5 . 1 1 127 127 GLY C C 127 175.320 175.320 172.957 2.363 25642 2335 1 5 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.118 -0.118 25642 2336 1 5 . 1 1 128 128 ALA N N 128 124.190 124.190 123.080 1.110 25642 2337 1 5 . 1 1 128 128 ALA C C 128 177.670 177.670 175.852 1.818 25642 2338 1 5 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.263 2.377 25642 2339 1 5 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.593 0.157 25642 2340 1 5 . 1 1 128 128 ALA H H 128 7.930 7.930 7.257 0.673 25642 2341 1 5 . 1 1 129 129 PHE N N 129 127.300 127.300 123.996 3.304 25642 2342 1 5 . 1 1 129 129 PHE C C 129 173.400 173.400 173.564 -0.164 25642 2343 1 5 . 1 1 129 129 PHE CA C 129 56.890 56.890 57.248 -0.358 25642 2344 1 5 . 1 1 129 129 PHE CB C 129 40.520 40.520 42.756 -2.236 25642 2345 1 5 . 1 1 129 129 PHE H H 129 8.550 8.550 8.111 0.440 25642 2346 1 5 . 1 1 130 130 PHE N N 130 131.220 131.220 125.105 6.115 25642 2347 1 5 . 1 1 130 130 PHE C C 130 173.550 173.550 174.151 -0.601 25642 2348 1 5 . 1 1 130 130 PHE CA C 130 53.370 53.370 56.627 -3.257 25642 2349 1 5 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.440 -0.980 25642 2350 1 5 . 1 1 130 130 PHE H H 130 8.860 8.860 8.992 -0.132 25642 2351 1 5 . 1 1 131 131 GLN N N 131 130.230 130.230 127.240 2.990 25642 2352 1 5 . 1 1 131 131 GLN C C 131 173.350 173.350 173.798 -0.448 25642 2353 1 5 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.110 -0.690 25642 2354 1 5 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.303 2.697 25642 2355 1 5 . 1 1 131 131 GLN H H 131 8.840 8.840 7.706 1.134 25642 2356 1 5 . 1 1 132 132 GLY N N 132 112.460 112.460 107.058 5.402 25642 2357 1 5 . 1 1 132 132 GLY C C 132 172.750 172.750 172.403 0.347 25642 2358 1 5 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.588 -0.118 25642 2359 1 5 . 1 1 133 133 ARG N N 133 119.950 119.950 119.821 0.129 25642 2360 1 5 . 1 1 133 133 ARG C C 133 173.910 173.910 175.446 -1.536 25642 2361 1 5 . 1 1 133 133 ARG CA C 133 55.870 55.870 56.069 -0.200 25642 2362 1 5 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.834 1.356 25642 2363 1 5 . 1 1 133 133 ARG H H 133 8.470 8.470 8.071 0.399 25642 2364 1 5 . 1 1 134 134 SER N N 134 119.120 119.120 121.100 -1.980 25642 2365 1 5 . 1 1 134 134 SER C C 134 174.260 174.260 173.685 0.575 25642 2366 1 5 . 1 1 134 134 SER CA C 134 57.140 57.140 57.933 -0.793 25642 2367 1 5 . 1 1 134 134 SER CB C 134 63.450 63.450 64.264 -0.814 25642 2368 1 5 . 1 1 134 134 SER H H 134 8.680 8.680 8.693 -0.013 25642 2369 1 5 . 1 1 135 135 LEU N N 135 127.740 127.740 128.713 -0.973 25642 2370 1 5 . 1 1 135 135 LEU C C 135 174.990 174.990 175.919 -0.929 25642 2371 1 5 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.099 -0.879 25642 2372 1 5 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.961 2.219 25642 2373 1 5 . 1 1 135 135 LEU H H 135 8.560 8.560 8.168 0.392 25642 2374 1 5 . 1 1 136 136 LYS N N 136 118.190 118.190 123.371 -5.181 25642 2375 1 5 . 1 1 136 136 LYS C C 136 178.030 178.030 176.299 1.731 25642 2376 1 5 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.232 -2.172 25642 2377 1 5 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.043 -0.033 25642 2378 1 5 . 1 1 136 136 LYS H H 136 8.180 8.180 8.453 -0.273 25642 2379 1 5 . 1 1 137 137 PHE N N 137 121.570 121.570 121.894 -0.324 25642 2380 1 5 . 1 1 137 137 PHE C C 137 176.370 176.370 175.723 0.647 25642 2381 1 5 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.384 0.556 25642 2382 1 5 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.372 0.358 25642 2383 1 5 . 1 1 137 137 PHE H H 137 7.800 7.800 7.954 -0.154 25642 2384 1 5 . 1 1 138 138 GLN N N 138 123.070 123.070 123.672 -0.602 25642 2385 1 5 . 1 1 138 138 GLN H H 138 8.560 8.560 8.996 -0.436 25642 2386 1 6 . 1 1 38 38 VAL C C 38 175.900 175.900 174.563 1.337 25642 2387 1 6 . 1 1 39 39 ALA N N 39 130.020 130.020 121.593 8.427 25642 2388 1 6 . 1 1 39 39 ALA C C 39 177.440 177.440 176.161 1.279 25642 2389 1 6 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.743 1.637 25642 2390 1 6 . 1 1 39 39 ALA CB C 39 19.820 19.820 21.789 -1.969 25642 2391 1 6 . 1 1 39 39 ALA H H 39 8.200 8.200 7.630 0.570 25642 2392 1 6 . 1 1 40 40 SER N N 40 115.080 115.080 114.842 0.238 25642 2393 1 6 . 1 1 40 40 SER C C 40 173.460 173.460 172.841 0.619 25642 2394 1 6 . 1 1 40 40 SER CA C 40 60.040 60.040 57.826 2.214 25642 2395 1 6 . 1 1 40 40 SER CB C 40 66.420 66.420 65.317 1.103 25642 2396 1 6 . 1 1 40 40 SER H H 40 7.970 7.970 8.217 -0.247 25642 2397 1 6 . 1 1 41 41 LEU N N 41 127.860 127.860 126.933 0.927 25642 2398 1 6 . 1 1 41 41 LEU C C 41 174.130 174.130 176.521 -2.391 25642 2399 1 6 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.257 0.403 25642 2400 1 6 . 1 1 41 41 LEU CB C 41 46.300 46.300 42.563 3.737 25642 2401 1 6 . 1 1 41 41 LEU H H 41 9.490 9.490 8.626 0.864 25642 2402 1 6 . 1 1 42 42 LEU N N 42 126.730 126.730 128.356 -1.626 25642 2403 1 6 . 1 1 42 42 LEU C C 42 175.120 175.120 176.370 -1.250 25642 2404 1 6 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.773 -1.062 25642 2405 1 6 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.362 -0.902 25642 2406 1 6 . 1 1 42 42 LEU H H 42 8.640 8.640 9.087 -0.447 25642 2407 1 6 . 1 1 43 43 SER N N 43 123.530 123.530 121.326 2.204 25642 2408 1 6 . 1 1 43 43 SER C C 43 172.810 172.810 175.165 -2.355 25642 2409 1 6 . 1 1 43 43 SER CA C 43 58.990 58.990 59.057 -0.067 25642 2410 1 6 . 1 1 43 43 SER CB C 43 64.200 64.200 63.926 0.274 25642 2411 1 6 . 1 1 43 43 SER H H 43 9.060 9.060 8.698 0.362 25642 2412 1 6 . 1 1 44 44 ALA N N 44 119.250 119.250 121.911 -2.661 25642 2413 1 6 . 1 1 44 44 ALA C C 44 177.720 177.720 178.210 -0.490 25642 2414 1 6 . 1 1 44 44 ALA CA C 44 54.000 54.000 54.034 -0.034 25642 2415 1 6 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.023 -0.293 25642 2416 1 6 . 1 1 44 44 ALA H H 44 8.490 8.490 8.448 0.042 25642 2417 1 6 . 1 1 45 45 ASP N N 45 114.450 114.450 117.696 -3.246 25642 2418 1 6 . 1 1 45 45 ASP C C 45 175.800 175.800 175.003 0.797 25642 2419 1 6 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.271 -0.291 25642 2420 1 6 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.901 1.778 25642 2421 1 6 . 1 1 45 45 ASP H H 45 8.080 8.080 8.398 -0.318 25642 2422 1 6 . 1 1 46 46 LEU N N 46 122.200 122.200 119.708 2.492 25642 2423 1 6 . 1 1 46 46 LEU C C 46 176.290 176.290 175.350 0.940 25642 2424 1 6 . 1 1 46 46 LEU CA C 46 54.620 54.620 53.898 0.722 25642 2425 1 6 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.586 0.374 25642 2426 1 6 . 1 1 46 46 LEU H H 46 7.860 7.860 7.224 0.636 25642 2427 1 6 . 1 1 47 47 THR N N 47 119.850 119.850 113.603 6.247 25642 2428 1 6 . 1 1 47 47 THR C C 47 174.140 174.140 174.065 0.075 25642 2429 1 6 . 1 1 47 47 THR CA C 47 61.650 61.650 59.940 1.710 25642 2430 1 6 . 1 1 47 47 THR CB C 47 71.210 71.210 70.698 0.512 25642 2431 1 6 . 1 1 47 47 THR H H 47 9.000 9.000 8.237 0.763 25642 2432 1 6 . 1 1 48 48 ILE N N 48 128.090 128.090 124.757 3.333 25642 2433 1 6 . 1 1 48 48 ILE C C 48 174.810 174.810 175.381 -0.571 25642 2434 1 6 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.957 -0.807 25642 2435 1 6 . 1 1 48 48 ILE CB C 48 40.110 40.110 37.890 2.220 25642 2436 1 6 . 1 1 48 48 ILE H H 48 9.330 9.330 8.217 1.113 25642 2437 1 6 . 1 1 49 49 GLU N N 49 129.080 129.080 125.041 4.039 25642 2438 1 6 . 1 1 49 49 GLU C C 49 175.160 175.160 176.997 -1.837 25642 2439 1 6 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.250 -0.750 25642 2440 1 6 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.961 -2.601 25642 2441 1 6 . 1 1 49 49 GLU H H 49 8.830 8.830 8.478 0.352 25642 2442 1 6 . 1 1 50 50 GLY N N 50 114.250 114.250 114.992 -0.742 25642 2443 1 6 . 1 1 50 50 GLY C C 50 170.510 170.510 173.245 -2.735 25642 2444 1 6 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.182 -0.122 25642 2445 1 6 . 1 1 50 50 GLY H H 50 8.320 8.320 8.413 -0.093 25642 2446 1 6 . 1 1 51 51 GLY N N 51 102.740 102.740 109.128 -6.388 25642 2447 1 6 . 1 1 51 51 GLY C C 51 174.230 174.230 173.220 1.010 25642 2448 1 6 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.278 -0.398 25642 2449 1 6 . 1 1 51 51 GLY H H 51 8.000 8.000 8.035 -0.035 25642 2450 1 6 . 1 1 52 52 VAL N N 52 122.770 122.770 123.869 -1.099 25642 2451 1 6 . 1 1 52 52 VAL C C 52 175.290 175.290 174.419 0.871 25642 2452 1 6 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.711 1.459 25642 2453 1 6 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.122 -0.172 25642 2454 1 6 . 1 1 52 52 VAL H H 52 8.550 8.550 8.208 0.342 25642 2455 1 6 . 1 1 53 53 THR N N 53 121.860 121.860 119.323 2.537 25642 2456 1 6 . 1 1 53 53 THR C C 53 173.790 173.790 174.067 -0.277 25642 2457 1 6 . 1 1 53 53 THR CA C 53 60.580 60.580 60.230 0.350 25642 2458 1 6 . 1 1 53 53 THR CB C 53 72.310 72.310 70.342 1.968 25642 2459 1 6 . 1 1 53 53 THR H H 53 9.150 9.150 8.244 0.906 25642 2460 1 6 . 1 1 54 54 GLY N N 54 112.960 112.960 115.350 -2.390 25642 2461 1 6 . 1 1 54 54 GLY C C 54 172.530 172.530 173.368 -0.838 25642 2462 1 6 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.938 -0.068 25642 2463 1 6 . 1 1 54 54 GLY H H 54 9.080 9.080 8.229 0.851 25642 2464 1 6 . 1 1 55 55 GLU N N 55 118.200 118.200 124.033 -5.833 25642 2465 1 6 . 1 1 55 55 GLU C C 55 177.350 177.350 175.985 1.365 25642 2466 1 6 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.650 -1.550 25642 2467 1 6 . 1 1 55 55 GLU CB C 55 31.140 31.140 29.580 1.560 25642 2468 1 6 . 1 1 55 55 GLU H H 55 8.790 8.790 8.498 0.292 25642 2469 1 6 . 1 1 56 56 GLY N N 56 109.740 109.740 112.891 -3.151 25642 2470 1 6 . 1 1 56 56 GLY C C 56 173.400 173.400 173.186 0.214 25642 2471 1 6 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.423 0.266 25642 2472 1 6 . 1 1 56 56 GLY H H 56 8.580 8.580 8.080 0.500 25642 2473 1 6 . 1 1 57 57 GLU N N 57 122.180 122.180 121.652 0.528 25642 2474 1 6 . 1 1 57 57 GLU C C 57 175.970 175.970 174.870 1.100 25642 2475 1 6 . 1 1 57 57 GLU CA C 57 55.100 55.100 56.229 -1.129 25642 2476 1 6 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.611 1.159 25642 2477 1 6 . 1 1 57 57 GLU H H 57 8.810 8.810 8.210 0.600 25642 2478 1 6 . 1 1 58 58 LEU N N 58 126.040 126.040 129.386 -3.346 25642 2479 1 6 . 1 1 58 58 LEU C C 58 173.100 173.100 174.347 -1.247 25642 2480 1 6 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.911 -0.231 25642 2481 1 6 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.720 1.720 25642 2482 1 6 . 1 1 58 58 LEU H H 58 8.720 8.720 8.217 0.503 25642 2483 1 6 . 1 1 59 59 GLN N N 59 127.940 127.940 128.382 -0.442 25642 2484 1 6 . 1 1 59 59 GLN C C 59 174.540 174.540 174.129 0.411 25642 2485 1 6 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.237 -0.397 25642 2486 1 6 . 1 1 59 59 GLN CB C 59 29.790 29.790 30.555 -0.765 25642 2487 1 6 . 1 1 59 59 GLN H H 59 8.400 8.400 8.802 -0.402 25642 2488 1 6 . 1 1 60 60 ILE N N 60 124.610 124.610 127.407 -2.797 25642 2489 1 6 . 1 1 60 60 ILE C C 60 174.340 174.340 173.153 1.187 25642 2490 1 6 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.159 2.171 25642 2491 1 6 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.791 -1.041 25642 2492 1 6 . 1 1 60 60 ILE H H 60 9.100 9.100 8.355 0.745 25642 2493 1 6 . 1 1 61 61 ASP N N 61 127.350 127.350 127.654 -0.304 25642 2494 1 6 . 1 1 61 61 ASP C C 61 176.210 176.210 175.066 1.144 25642 2495 1 6 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.547 0.353 25642 2496 1 6 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.793 1.687 25642 2497 1 6 . 1 1 61 61 ASP H H 61 9.070 9.070 8.252 0.818 25642 2498 1 6 . 1 1 62 62 GLY N N 62 110.340 110.340 107.510 2.830 25642 2499 1 6 . 1 1 62 62 GLY C C 62 170.870 170.870 172.091 -1.221 25642 2500 1 6 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.071 1.419 25642 2501 1 6 . 1 1 62 62 GLY H H 62 6.590 6.590 7.625 -1.035 25642 2502 1 6 . 1 1 63 63 VAL N N 63 122.570 122.570 119.237 3.333 25642 2503 1 6 . 1 1 63 63 VAL C C 63 176.030 176.030 174.559 1.471 25642 2504 1 6 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.039 0.971 25642 2505 1 6 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.416 0.434 25642 2506 1 6 . 1 1 63 63 VAL H H 63 8.070 8.070 7.708 0.362 25642 2507 1 6 . 1 1 64 64 VAL N N 64 125.470 125.470 130.800 -5.330 25642 2508 1 6 . 1 1 64 64 VAL C C 64 174.410 174.410 174.253 0.157 25642 2509 1 6 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.948 -0.728 25642 2510 1 6 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.610 3.080 25642 2511 1 6 . 1 1 64 64 VAL H H 64 9.010 9.010 8.110 0.900 25642 2512 1 6 . 1 1 65 65 LYS N N 65 129.120 129.120 128.917 0.203 25642 2513 1 6 . 1 1 65 65 LYS C C 65 175.120 175.120 175.731 -0.611 25642 2514 1 6 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.383 -0.073 25642 2515 1 6 . 1 1 65 65 LYS CB C 65 32.440 32.440 33.694 -1.254 25642 2516 1 6 . 1 1 65 65 LYS H H 65 9.150 9.150 8.070 1.080 25642 2517 1 6 . 1 1 66 66 GLY N N 66 115.020 115.020 113.145 1.875 25642 2518 1 6 . 1 1 66 66 GLY C C 66 170.210 170.210 172.034 -1.824 25642 2519 1 6 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.347 -0.867 25642 2520 1 6 . 1 1 66 66 GLY H H 66 8.300 8.300 7.734 0.566 25642 2521 1 6 . 1 1 67 67 ASP N N 67 115.420 115.420 122.372 -6.952 25642 2522 1 6 . 1 1 67 67 ASP C C 67 176.920 176.920 175.195 1.725 25642 2523 1 6 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.042 1.288 25642 2524 1 6 . 1 1 67 67 ASP CB C 67 41.950 41.950 44.643 -2.693 25642 2525 1 6 . 1 1 67 67 ASP H H 67 7.690 7.690 8.351 -0.661 25642 2526 1 6 . 1 1 68 68 VAL N N 68 122.440 122.440 120.460 1.980 25642 2527 1 6 . 1 1 68 68 VAL C C 68 174.450 174.450 173.588 0.862 25642 2528 1 6 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.129 -0.159 25642 2529 1 6 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.474 -0.234 25642 2530 1 6 . 1 1 68 68 VAL H H 68 8.930 8.930 8.075 0.855 25642 2531 1 6 . 1 1 69 69 ARG N N 69 130.610 130.610 128.390 2.220 25642 2532 1 6 . 1 1 69 69 ARG C C 69 175.150 175.150 174.194 0.956 25642 2533 1 6 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.661 0.159 25642 2534 1 6 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.911 -0.911 25642 2535 1 6 . 1 1 69 69 ARG H H 69 9.110 9.110 8.585 0.525 25642 2536 1 6 . 1 1 70 70 VAL N N 70 114.530 114.530 124.716 -10.186 25642 2537 1 6 . 1 1 70 70 VAL C C 70 175.440 175.440 175.255 0.185 25642 2538 1 6 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.701 -2.301 25642 2539 1 6 . 1 1 70 70 VAL CB C 70 35.370 35.370 36.379 -1.009 25642 2540 1 6 . 1 1 70 70 VAL H H 70 8.290 8.290 7.814 0.476 25642 2541 1 6 . 1 1 71 71 GLY N N 71 108.150 108.150 110.277 -2.127 25642 2542 1 6 . 1 1 71 71 GLY C C 71 174.710 174.710 173.560 1.150 25642 2543 1 6 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.974 0.926 25642 2544 1 6 . 1 1 71 71 GLY H H 71 8.110 8.110 8.891 -0.781 25642 2545 1 6 . 1 1 72 72 ARG N N 72 120.660 120.660 120.115 0.545 25642 2546 1 6 . 1 1 72 72 ARG C C 72 173.620 173.620 173.840 -0.220 25642 2547 1 6 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.637 0.683 25642 2548 1 6 . 1 1 72 72 ARG CB C 72 33.780 33.780 34.077 -0.297 25642 2549 1 6 . 1 1 72 72 ARG H H 72 7.690 7.690 7.935 -0.245 25642 2550 1 6 . 1 1 73 73 LEU N N 73 125.710 125.710 128.468 -2.758 25642 2551 1 6 . 1 1 73 73 LEU C C 73 175.230 175.230 174.647 0.583 25642 2552 1 6 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.495 -0.945 25642 2553 1 6 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.889 0.641 25642 2554 1 6 . 1 1 73 73 LEU H H 73 8.570 8.570 8.947 -0.377 25642 2555 1 6 . 1 1 74 74 THR N N 74 123.150 123.150 119.615 3.535 25642 2556 1 6 . 1 1 74 74 THR C C 74 173.670 173.670 174.274 -0.604 25642 2557 1 6 . 1 1 74 74 THR CA C 74 61.480 61.480 60.008 1.472 25642 2558 1 6 . 1 1 74 74 THR CB C 74 70.710 70.710 69.956 0.754 25642 2559 1 6 . 1 1 74 74 THR H H 74 8.860 8.860 8.520 0.340 25642 2560 1 6 . 1 1 75 75 VAL N N 75 127.890 127.890 127.168 0.722 25642 2561 1 6 . 1 1 75 75 VAL C C 75 176.800 176.800 177.155 -0.355 25642 2562 1 6 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.265 -1.135 25642 2563 1 6 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.674 2.166 25642 2564 1 6 . 1 1 75 75 VAL H H 75 8.910 8.910 8.117 0.793 25642 2565 1 6 . 1 1 76 76 GLY N N 76 116.590 116.590 115.723 0.867 25642 2566 1 6 . 1 1 76 76 GLY C C 76 174.060 174.060 173.936 0.124 25642 2567 1 6 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.716 -0.486 25642 2568 1 6 . 1 1 76 76 GLY H H 76 8.980 8.980 9.053 -0.073 25642 2569 1 6 . 1 1 77 77 GLU N N 77 121.140 121.140 118.566 2.574 25642 2570 1 6 . 1 1 77 77 GLU C C 77 178.620 178.620 178.643 -0.023 25642 2571 1 6 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.168 2.332 25642 2572 1 6 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.848 0.273 25642 2573 1 6 . 1 1 77 77 GLU H H 77 9.260 9.260 8.233 1.027 25642 2574 1 6 . 1 1 78 78 THR N N 78 105.330 105.330 114.358 -9.028 25642 2575 1 6 . 1 1 78 78 THR C C 78 174.990 174.990 175.019 -0.029 25642 2576 1 6 . 1 1 78 78 THR CA C 78 62.040 62.040 64.315 -2.275 25642 2577 1 6 . 1 1 78 78 THR CB C 78 69.880 69.880 68.519 1.361 25642 2578 1 6 . 1 1 78 78 THR H H 78 8.010 8.010 8.047 -0.037 25642 2579 1 6 . 1 1 79 79 GLY N N 79 111.420 111.420 108.941 2.479 25642 2580 1 6 . 1 1 79 79 GLY C C 79 174.270 174.270 173.501 0.769 25642 2581 1 6 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.806 -0.556 25642 2582 1 6 . 1 1 79 79 GLY H H 79 8.240 8.240 8.244 -0.004 25642 2583 1 6 . 1 1 80 80 HIS N N 80 123.970 123.970 117.426 6.544 25642 2584 1 6 . 1 1 80 80 HIS C C 80 173.800 173.800 174.018 -0.218 25642 2585 1 6 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.895 -0.035 25642 2586 1 6 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.971 3.099 25642 2587 1 6 . 1 1 80 80 HIS H H 80 8.860 8.860 7.397 1.463 25642 2588 1 6 . 1 1 81 81 VAL N N 81 125.720 125.720 126.964 -1.244 25642 2589 1 6 . 1 1 81 81 VAL C C 81 174.580 174.580 173.855 0.725 25642 2590 1 6 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.489 -1.829 25642 2591 1 6 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.272 0.588 25642 2592 1 6 . 1 1 81 81 VAL H H 81 8.900 8.900 8.348 0.552 25642 2593 1 6 . 1 1 82 82 GLU N N 82 129.500 129.500 126.965 2.535 25642 2594 1 6 . 1 1 82 82 GLU C C 82 175.200 175.200 175.659 -0.459 25642 2595 1 6 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.888 -0.988 25642 2596 1 6 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.305 -1.435 25642 2597 1 6 . 1 1 82 82 GLU H H 82 9.270 9.270 8.825 0.445 25642 2598 1 6 . 1 1 83 83 GLY N N 83 114.070 114.070 111.802 2.268 25642 2599 1 6 . 1 1 83 83 GLY C C 83 171.310 171.310 172.000 -0.690 25642 2600 1 6 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.352 -0.402 25642 2601 1 6 . 1 1 83 83 GLY H H 83 8.450 8.450 8.139 0.311 25642 2602 1 6 . 1 1 84 84 SER N N 84 113.810 113.810 116.999 -3.189 25642 2603 1 6 . 1 1 84 84 SER C C 84 173.140 173.140 173.905 -0.765 25642 2604 1 6 . 1 1 84 84 SER CA C 84 57.720 57.720 57.026 0.694 25642 2605 1 6 . 1 1 84 84 SER CB C 84 64.950 64.950 63.992 0.958 25642 2606 1 6 . 1 1 84 84 SER H H 84 8.320 8.320 8.282 0.038 25642 2607 1 6 . 1 1 85 85 VAL N N 85 121.060 121.060 128.136 -7.076 25642 2608 1 6 . 1 1 85 85 VAL C C 85 174.960 174.960 174.191 0.769 25642 2609 1 6 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.915 -1.495 25642 2610 1 6 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.997 1.903 25642 2611 1 6 . 1 1 85 85 VAL H H 85 8.730 8.730 8.062 0.668 25642 2612 1 6 . 1 1 86 86 TYR N N 86 129.090 129.090 126.799 2.291 25642 2613 1 6 . 1 1 86 86 TYR C C 86 174.420 174.420 174.532 -0.112 25642 2614 1 6 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.355 0.104 25642 2615 1 6 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.943 -0.093 25642 2616 1 6 . 1 1 86 86 TYR H H 86 9.580 9.580 8.653 0.927 25642 2617 1 6 . 1 1 87 87 ALA N N 87 122.670 122.670 125.849 -3.179 25642 2618 1 6 . 1 1 87 87 ALA C C 87 177.320 177.320 175.612 1.708 25642 2619 1 6 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.854 0.406 25642 2620 1 6 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.151 0.300 25642 2621 1 6 . 1 1 87 87 ALA H H 87 8.080 8.080 8.291 -0.211 25642 2622 1 6 . 1 1 88 88 GLU N N 88 120.180 120.180 118.393 1.787 25642 2623 1 6 . 1 1 88 88 GLU C C 88 177.310 177.310 176.552 0.758 25642 2624 1 6 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.188 2.002 25642 2625 1 6 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.164 -1.514 25642 2626 1 6 . 1 1 88 88 GLU H H 88 8.640 8.640 8.277 0.363 25642 2627 1 6 . 1 1 89 89 ALA N N 89 118.770 118.770 120.580 -1.810 25642 2628 1 6 . 1 1 89 89 ALA C C 89 175.890 175.890 175.085 0.805 25642 2629 1 6 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.705 0.805 25642 2630 1 6 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.371 -0.101 25642 2631 1 6 . 1 1 89 89 ALA H H 89 7.340 7.340 7.731 -0.391 25642 2632 1 6 . 1 1 90 90 VAL N N 90 119.720 119.720 122.693 -2.973 25642 2633 1 6 . 1 1 90 90 VAL C C 90 174.710 174.710 174.518 0.192 25642 2634 1 6 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.631 -0.111 25642 2635 1 6 . 1 1 90 90 VAL CB C 90 35.990 35.990 34.986 1.004 25642 2636 1 6 . 1 1 90 90 VAL H H 90 8.490 8.490 8.010 0.480 25642 2637 1 6 . 1 1 91 91 GLU N N 91 128.200 128.200 127.386 0.814 25642 2638 1 6 . 1 1 91 91 GLU C C 91 175.470 175.470 175.674 -0.204 25642 2639 1 6 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.857 -0.067 25642 2640 1 6 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.249 0.431 25642 2641 1 6 . 1 1 91 91 GLU H H 91 9.070 9.070 8.476 0.594 25642 2642 1 6 . 1 1 92 92 VAL N N 92 122.080 122.080 125.206 -3.126 25642 2643 1 6 . 1 1 92 92 VAL C C 92 174.490 174.490 175.715 -1.225 25642 2644 1 6 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.940 -0.280 25642 2645 1 6 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.416 0.674 25642 2646 1 6 . 1 1 92 92 VAL H H 92 9.450 9.450 8.207 1.243 25642 2647 1 6 . 1 1 93 93 ARG N N 93 123.900 123.900 121.049 2.851 25642 2648 1 6 . 1 1 93 93 ARG C C 93 176.280 176.280 175.591 0.689 25642 2649 1 6 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.213 1.077 25642 2650 1 6 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.917 -1.027 25642 2651 1 6 . 1 1 93 93 ARG H H 93 9.200 9.200 8.308 0.892 25642 2652 1 6 . 1 1 94 94 GLY N N 94 111.100 111.100 106.655 4.445 25642 2653 1 6 . 1 1 94 94 GLY C C 94 170.710 170.710 172.081 -1.371 25642 2654 1 6 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.348 0.442 25642 2655 1 6 . 1 1 94 94 GLY H H 94 6.250 6.250 8.179 -1.929 25642 2656 1 6 . 1 1 95 95 ARG N N 95 126.190 126.190 119.453 6.737 25642 2657 1 6 . 1 1 95 95 ARG C C 95 175.570 175.570 174.621 0.949 25642 2658 1 6 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.717 -1.047 25642 2659 1 6 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.533 1.387 25642 2660 1 6 . 1 1 95 95 ARG H H 95 8.140 8.140 7.726 0.414 25642 2661 1 6 . 1 1 96 96 VAL N N 96 124.800 124.800 124.168 0.632 25642 2662 1 6 . 1 1 96 96 VAL C C 96 174.070 174.070 173.445 0.625 25642 2663 1 6 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.878 0.282 25642 2664 1 6 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.202 0.658 25642 2665 1 6 . 1 1 96 96 VAL H H 96 9.430 9.430 8.544 0.886 25642 2666 1 6 . 1 1 97 97 VAL N N 97 128.010 128.010 125.559 2.451 25642 2667 1 6 . 1 1 97 97 VAL C C 97 176.430 176.430 174.453 1.977 25642 2668 1 6 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.577 1.503 25642 2669 1 6 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.935 -0.305 25642 2670 1 6 . 1 1 97 97 VAL H H 97 9.260 9.260 8.211 1.049 25642 2671 1 6 . 1 1 98 98 GLY N N 98 116.340 116.340 114.889 1.451 25642 2672 1 6 . 1 1 98 98 GLY C C 98 171.770 171.770 172.231 -0.461 25642 2673 1 6 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.148 -0.258 25642 2674 1 6 . 1 1 98 98 GLY H H 98 8.600 8.600 8.601 -0.001 25642 2675 1 6 . 1 1 99 99 ALA N N 99 124.110 124.110 123.996 0.114 25642 2676 1 6 . 1 1 99 99 ALA C C 99 176.060 176.060 174.875 1.185 25642 2677 1 6 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.778 -0.088 25642 2678 1 6 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.098 -0.398 25642 2679 1 6 . 1 1 99 99 ALA H H 99 8.110 8.110 7.667 0.443 25642 2680 1 6 . 1 1 100 100 ILE N N 100 119.340 119.340 117.119 2.221 25642 2681 1 6 . 1 1 100 100 ILE C C 100 174.770 174.770 173.663 1.107 25642 2682 1 6 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.927 0.693 25642 2683 1 6 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.849 0.471 25642 2684 1 6 . 1 1 100 100 ILE H H 100 8.910 8.910 8.345 0.565 25642 2685 1 6 . 1 1 101 101 THR N N 101 127.010 127.010 121.208 5.802 25642 2686 1 6 . 1 1 101 101 THR C C 101 173.980 173.980 173.918 0.062 25642 2687 1 6 . 1 1 101 101 THR CA C 101 61.620 61.620 61.216 0.404 25642 2688 1 6 . 1 1 101 101 THR CB C 101 69.700 69.700 71.182 -1.482 25642 2689 1 6 . 1 1 101 101 THR H H 101 8.950 8.950 8.684 0.266 25642 2690 1 6 . 1 1 102 102 SER N N 102 119.870 119.870 120.092 -0.222 25642 2691 1 6 . 1 1 102 102 SER C C 102 174.000 174.000 173.780 0.220 25642 2692 1 6 . 1 1 102 102 SER CA C 102 56.190 56.190 57.414 -1.224 25642 2693 1 6 . 1 1 102 102 SER CB C 102 64.710 64.710 66.983 -2.273 25642 2694 1 6 . 1 1 102 102 SER H H 102 8.800 8.800 9.105 -0.305 25642 2695 1 6 . 1 1 103 103 LYS N N 103 124.650 124.650 120.531 4.119 25642 2696 1 6 . 1 1 103 103 LYS C C 103 177.200 177.200 176.522 0.678 25642 2697 1 6 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.538 3.762 25642 2698 1 6 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.286 -0.776 25642 2699 1 6 . 1 1 103 103 LYS H H 103 7.560 7.560 8.295 -0.735 25642 2700 1 6 . 1 1 104 104 GLN N N 104 115.370 115.370 116.188 -0.818 25642 2701 1 6 . 1 1 104 104 GLN C C 104 174.650 174.650 174.196 0.454 25642 2702 1 6 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.646 0.214 25642 2703 1 6 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.755 -0.875 25642 2704 1 6 . 1 1 104 104 GLN H H 104 7.650 7.650 7.776 -0.126 25642 2705 1 6 . 1 1 105 105 VAL N N 105 125.510 125.510 122.256 3.254 25642 2706 1 6 . 1 1 105 105 VAL C C 105 174.530 174.530 173.249 1.281 25642 2707 1 6 . 1 1 105 105 VAL CA C 105 60.920 60.920 59.613 1.307 25642 2708 1 6 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.128 -0.128 25642 2709 1 6 . 1 1 105 105 VAL H H 105 8.670 8.670 7.788 0.882 25642 2710 1 6 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.906 1.144 25642 2711 1 6 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.280 1.460 25642 2712 1 6 . 1 1 106 106 ARG H H 106 8.560 8.560 8.746 -0.186 25642 2713 1 6 . 1 1 107 107 LEU N N 107 125.820 125.820 126.884 -1.064 25642 2714 1 6 . 1 1 107 107 LEU C C 107 176.190 176.190 175.476 0.714 25642 2715 1 6 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.410 -0.840 25642 2716 1 6 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.680 0.450 25642 2717 1 6 . 1 1 107 107 LEU H H 107 8.730 8.730 7.955 0.775 25642 2718 1 6 . 1 1 108 108 TYR N N 108 120.870 120.870 123.588 -2.718 25642 2719 1 6 . 1 1 108 108 TYR C C 108 178.880 178.880 177.163 1.717 25642 2720 1 6 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.352 1.178 25642 2721 1 6 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.345 -0.565 25642 2722 1 6 . 1 1 108 108 TYR H H 108 8.280 8.280 7.688 0.592 25642 2723 1 6 . 1 1 109 109 GLY N N 109 112.380 112.380 109.436 2.944 25642 2724 1 6 . 1 1 109 109 GLY C C 109 172.330 172.330 175.012 -2.682 25642 2725 1 6 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.107 2.173 25642 2726 1 6 . 1 1 109 109 GLY H H 109 10.080 10.080 8.575 1.505 25642 2727 1 6 . 1 1 110 110 THR N N 110 103.280 103.280 112.905 -9.625 25642 2728 1 6 . 1 1 110 110 THR C C 110 175.370 175.370 174.636 0.734 25642 2729 1 6 . 1 1 110 110 THR CA C 110 61.220 61.220 61.373 -0.153 25642 2730 1 6 . 1 1 110 110 THR CB C 110 70.160 70.160 68.291 1.869 25642 2731 1 6 . 1 1 110 110 THR H H 110 6.910 6.910 8.465 -1.555 25642 2732 1 6 . 1 1 111 111 SER N N 111 118.040 118.040 117.165 0.875 25642 2733 1 6 . 1 1 111 111 SER C C 111 174.740 174.740 173.447 1.293 25642 2734 1 6 . 1 1 111 111 SER CA C 111 59.070 59.070 60.014 -0.944 25642 2735 1 6 . 1 1 111 111 SER CB C 111 67.870 67.870 64.027 3.843 25642 2736 1 6 . 1 1 111 111 SER H H 111 7.960 7.960 7.929 0.031 25642 2737 1 6 . 1 1 112 112 TYR N N 112 124.220 124.220 120.153 4.067 25642 2738 1 6 . 1 1 112 112 TYR C C 112 174.090 174.090 174.497 -0.407 25642 2739 1 6 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.328 0.082 25642 2740 1 6 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.432 -1.742 25642 2741 1 6 . 1 1 112 112 TYR H H 112 8.720 8.720 8.237 0.483 25642 2742 1 6 . 1 1 113 113 VAL N N 113 129.090 129.090 123.292 5.798 25642 2743 1 6 . 1 1 113 113 VAL C C 113 173.870 173.870 174.008 -0.138 25642 2744 1 6 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.831 0.209 25642 2745 1 6 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.602 0.328 25642 2746 1 6 . 1 1 113 113 VAL H H 113 9.640 9.640 8.130 1.510 25642 2747 1 6 . 1 1 114 114 ASP N N 114 127.460 127.460 126.967 0.493 25642 2748 1 6 . 1 1 114 114 ASP C C 114 176.250 176.250 175.587 0.663 25642 2749 1 6 . 1 1 114 114 ASP CA C 114 51.470 51.470 53.258 -1.788 25642 2750 1 6 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.745 -0.525 25642 2751 1 6 . 1 1 114 114 ASP H H 114 8.630 8.630 8.186 0.444 25642 2752 1 6 . 1 1 115 115 GLY N N 115 113.040 113.040 109.902 3.138 25642 2753 1 6 . 1 1 115 115 GLY C C 115 171.140 171.140 172.225 -1.085 25642 2754 1 6 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.390 -0.240 25642 2755 1 6 . 1 1 115 115 GLY H H 115 8.880 8.880 8.233 0.647 25642 2756 1 6 . 1 1 116 116 ASP N N 116 117.450 117.450 122.336 -4.886 25642 2757 1 6 . 1 1 116 116 ASP C C 116 176.850 176.850 175.504 1.346 25642 2758 1 6 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.047 0.313 25642 2759 1 6 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.037 0.333 25642 2760 1 6 . 1 1 116 116 ASP H H 116 7.390 7.390 8.080 -0.690 25642 2761 1 6 . 1 1 117 117 ILE N N 117 121.440 121.440 126.651 -5.211 25642 2762 1 6 . 1 1 117 117 ILE C C 117 176.780 176.780 174.597 2.183 25642 2763 1 6 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.191 0.529 25642 2764 1 6 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.388 -2.758 25642 2765 1 6 . 1 1 117 117 ILE H H 117 9.200 9.200 8.085 1.115 25642 2766 1 6 . 1 1 118 118 THR N N 118 131.550 131.550 123.783 7.767 25642 2767 1 6 . 1 1 118 118 THR C C 118 173.630 173.630 172.481 1.149 25642 2768 1 6 . 1 1 118 118 THR CA C 118 62.110 62.110 61.085 1.025 25642 2769 1 6 . 1 1 118 118 THR CB C 118 67.860 67.860 70.133 -2.273 25642 2770 1 6 . 1 1 118 118 THR H H 118 9.560 9.560 7.598 1.962 25642 2771 1 6 . 1 1 119 119 HIS N N 119 121.300 121.300 124.448 -3.148 25642 2772 1 6 . 1 1 119 119 HIS C C 119 174.780 174.780 174.704 0.076 25642 2773 1 6 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.885 0.965 25642 2774 1 6 . 1 1 119 119 HIS CB C 119 32.550 32.550 33.640 -1.090 25642 2775 1 6 . 1 1 119 119 HIS H H 119 8.290 8.290 7.983 0.307 25642 2776 1 6 . 1 1 120 120 GLU N N 120 118.130 118.130 118.722 -0.592 25642 2777 1 6 . 1 1 120 120 GLU C C 120 177.120 177.120 176.903 0.217 25642 2778 1 6 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.370 2.410 25642 2779 1 6 . 1 1 120 120 GLU CB C 120 30.300 30.300 31.083 -0.783 25642 2780 1 6 . 1 1 120 120 GLU H H 120 7.710 7.710 8.511 -0.801 25642 2781 1 6 . 1 1 121 121 GLN N N 121 117.670 117.670 118.785 -1.115 25642 2782 1 6 . 1 1 121 121 GLN C C 121 172.760 172.760 173.903 -1.143 25642 2783 1 6 . 1 1 121 121 GLN CA C 121 55.880 55.880 55.025 0.855 25642 2784 1 6 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.551 1.029 25642 2785 1 6 . 1 1 121 121 GLN H H 121 8.950 8.950 7.840 1.110 25642 2786 1 6 . 1 1 122 122 LEU N N 122 126.250 126.250 123.775 2.475 25642 2787 1 6 . 1 1 122 122 LEU C C 122 173.300 173.300 176.356 -3.056 25642 2788 1 6 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.568 0.252 25642 2789 1 6 . 1 1 122 122 LEU CB C 122 45.450 45.450 43.037 2.413 25642 2790 1 6 . 1 1 122 122 LEU H H 122 8.660 8.660 8.599 0.061 25642 2791 1 6 . 1 1 123 123 ALA N N 123 126.670 126.670 127.821 -1.151 25642 2792 1 6 . 1 1 123 123 ALA C C 123 175.940 175.940 175.574 0.366 25642 2793 1 6 . 1 1 123 123 ALA CA C 123 49.570 49.570 52.005 -2.434 25642 2794 1 6 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.606 0.744 25642 2795 1 6 . 1 1 123 123 ALA H H 123 8.090 8.090 8.127 -0.037 25642 2796 1 6 . 1 1 124 124 MET N N 124 119.800 119.800 121.279 -1.479 25642 2797 1 6 . 1 1 124 124 MET C C 124 174.960 174.960 175.087 -0.127 25642 2798 1 6 . 1 1 124 124 MET CA C 124 54.770 54.770 52.900 1.870 25642 2799 1 6 . 1 1 124 124 MET CB C 124 37.620 37.620 32.628 4.992 25642 2800 1 6 . 1 1 124 124 MET H H 124 8.810 8.810 8.436 0.374 25642 2801 1 6 . 1 1 125 125 GLU N N 125 125.500 125.500 123.607 1.893 25642 2802 1 6 . 1 1 125 125 GLU C C 125 175.410 175.410 175.763 -0.353 25642 2803 1 6 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.812 0.858 25642 2804 1 6 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.604 -0.094 25642 2805 1 6 . 1 1 125 125 GLU H H 125 8.760 8.760 8.122 0.638 25642 2806 1 6 . 1 1 126 126 THR N N 126 118.440 118.440 115.714 2.726 25642 2807 1 6 . 1 1 126 126 THR C C 126 174.300 174.300 174.725 -0.425 25642 2808 1 6 . 1 1 126 126 THR CA C 126 65.870 65.870 64.878 0.992 25642 2809 1 6 . 1 1 126 126 THR CB C 126 69.050 69.050 68.911 0.139 25642 2810 1 6 . 1 1 127 127 GLY N N 127 116.970 116.970 110.584 6.386 25642 2811 1 6 . 1 1 127 127 GLY C C 127 175.320 175.320 173.049 2.271 25642 2812 1 6 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.213 -0.213 25642 2813 1 6 . 1 1 128 128 ALA N N 128 124.190 124.190 122.983 1.207 25642 2814 1 6 . 1 1 128 128 ALA C C 128 177.670 177.670 175.642 2.028 25642 2815 1 6 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.490 2.150 25642 2816 1 6 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.323 0.427 25642 2817 1 6 . 1 1 128 128 ALA H H 128 7.930 7.930 7.341 0.589 25642 2818 1 6 . 1 1 129 129 PHE N N 129 127.300 127.300 125.437 1.863 25642 2819 1 6 . 1 1 129 129 PHE C C 129 173.400 173.400 173.231 0.169 25642 2820 1 6 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.554 0.336 25642 2821 1 6 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.191 -0.671 25642 2822 1 6 . 1 1 129 129 PHE H H 129 8.550 8.550 7.931 0.619 25642 2823 1 6 . 1 1 130 130 PHE N N 130 131.220 131.220 124.532 6.688 25642 2824 1 6 . 1 1 130 130 PHE C C 130 173.550 173.550 174.077 -0.527 25642 2825 1 6 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.737 -2.367 25642 2826 1 6 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.840 -0.380 25642 2827 1 6 . 1 1 130 130 PHE H H 130 8.860 8.860 8.713 0.147 25642 2828 1 6 . 1 1 131 131 GLN N N 131 130.230 130.230 127.495 2.735 25642 2829 1 6 . 1 1 131 131 GLN C C 131 173.350 173.350 174.396 -1.046 25642 2830 1 6 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.315 -0.895 25642 2831 1 6 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.352 2.648 25642 2832 1 6 . 1 1 131 131 GLN H H 131 8.840 8.840 8.247 0.593 25642 2833 1 6 . 1 1 132 132 GLY N N 132 112.460 112.460 108.138 4.322 25642 2834 1 6 . 1 1 132 132 GLY C C 132 172.750 172.750 172.933 -0.183 25642 2835 1 6 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.042 -0.572 25642 2836 1 6 . 1 1 133 133 ARG N N 133 119.950 119.950 120.675 -0.725 25642 2837 1 6 . 1 1 133 133 ARG C C 133 173.910 173.910 175.389 -1.479 25642 2838 1 6 . 1 1 133 133 ARG CA C 133 55.870 55.870 54.752 1.118 25642 2839 1 6 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.201 1.989 25642 2840 1 6 . 1 1 133 133 ARG H H 133 8.470 8.470 8.248 0.222 25642 2841 1 6 . 1 1 134 134 SER N N 134 119.120 119.120 119.907 -0.787 25642 2842 1 6 . 1 1 134 134 SER C C 134 174.260 174.260 173.988 0.272 25642 2843 1 6 . 1 1 134 134 SER CA C 134 57.140 57.140 57.719 -0.579 25642 2844 1 6 . 1 1 134 134 SER CB C 134 63.450 63.450 64.173 -0.723 25642 2845 1 6 . 1 1 134 134 SER H H 134 8.680 8.680 8.597 0.083 25642 2846 1 6 . 1 1 135 135 LEU N N 135 127.740 127.740 128.568 -0.828 25642 2847 1 6 . 1 1 135 135 LEU C C 135 174.990 174.990 175.500 -0.510 25642 2848 1 6 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.852 -0.632 25642 2849 1 6 . 1 1 135 135 LEU CB C 135 45.180 45.180 43.694 1.486 25642 2850 1 6 . 1 1 135 135 LEU H H 135 8.560 8.560 8.736 -0.176 25642 2851 1 6 . 1 1 136 136 LYS N N 136 118.190 118.190 125.247 -7.057 25642 2852 1 6 . 1 1 136 136 LYS C C 136 178.030 178.030 175.703 2.327 25642 2853 1 6 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.666 -3.606 25642 2854 1 6 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.372 -0.362 25642 2855 1 6 . 1 1 136 136 LYS H H 136 8.180 8.180 8.644 -0.464 25642 2856 1 6 . 1 1 137 137 PHE N N 137 121.570 121.570 128.560 -6.990 25642 2857 1 6 . 1 1 137 137 PHE C C 137 176.370 176.370 174.325 2.045 25642 2858 1 6 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.839 0.101 25642 2859 1 6 . 1 1 137 137 PHE CB C 137 39.730 39.730 40.062 -0.332 25642 2860 1 6 . 1 1 137 137 PHE H H 137 7.800 7.800 8.122 -0.322 25642 2861 1 6 . 1 1 138 138 GLN N N 138 123.070 123.070 124.707 -1.637 25642 2862 1 6 . 1 1 138 138 GLN H H 138 8.560 8.560 7.864 0.696 25642 2863 1 7 . 1 1 38 38 VAL C C 38 175.900 175.900 175.301 0.599 25642 2864 1 7 . 1 1 39 39 ALA N N 39 130.020 130.020 123.749 6.271 25642 2865 1 7 . 1 1 39 39 ALA C C 39 177.440 177.440 176.905 0.535 25642 2866 1 7 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.185 1.195 25642 2867 1 7 . 1 1 39 39 ALA CB C 39 19.820 19.820 18.750 1.070 25642 2868 1 7 . 1 1 39 39 ALA H H 39 8.200 8.200 7.935 0.265 25642 2869 1 7 . 1 1 40 40 SER N N 40 115.080 115.080 118.314 -3.234 25642 2870 1 7 . 1 1 40 40 SER C C 40 173.460 173.460 173.482 -0.022 25642 2871 1 7 . 1 1 40 40 SER CA C 40 60.040 60.040 58.199 1.841 25642 2872 1 7 . 1 1 40 40 SER CB C 40 66.420 66.420 65.028 1.392 25642 2873 1 7 . 1 1 40 40 SER H H 40 7.970 7.970 7.894 0.076 25642 2874 1 7 . 1 1 41 41 LEU N N 41 127.860 127.860 126.287 1.573 25642 2875 1 7 . 1 1 41 41 LEU C C 41 174.130 174.130 175.619 -1.489 25642 2876 1 7 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.846 0.814 25642 2877 1 7 . 1 1 41 41 LEU CB C 41 46.300 46.300 43.826 2.474 25642 2878 1 7 . 1 1 41 41 LEU H H 41 9.490 9.490 8.416 1.074 25642 2879 1 7 . 1 1 42 42 LEU N N 42 126.730 126.730 128.696 -1.966 25642 2880 1 7 . 1 1 42 42 LEU C C 42 175.120 175.120 176.605 -1.485 25642 2881 1 7 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.275 -0.565 25642 2882 1 7 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.709 -1.249 25642 2883 1 7 . 1 1 42 42 LEU H H 42 8.640 8.640 8.895 -0.255 25642 2884 1 7 . 1 1 43 43 SER N N 43 123.530 123.530 120.243 3.287 25642 2885 1 7 . 1 1 43 43 SER C C 43 172.810 172.810 175.062 -2.252 25642 2886 1 7 . 1 1 43 43 SER CA C 43 58.990 58.990 58.574 0.416 25642 2887 1 7 . 1 1 43 43 SER CB C 43 64.200 64.200 63.628 0.572 25642 2888 1 7 . 1 1 43 43 SER H H 43 9.060 9.060 8.715 0.345 25642 2889 1 7 . 1 1 44 44 ALA N N 44 119.250 119.250 120.604 -1.354 25642 2890 1 7 . 1 1 44 44 ALA C C 44 177.720 177.720 177.274 0.446 25642 2891 1 7 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.728 0.272 25642 2892 1 7 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.138 -0.408 25642 2893 1 7 . 1 1 44 44 ALA H H 44 8.490 8.490 8.318 0.172 25642 2894 1 7 . 1 1 45 45 ASP N N 45 114.450 114.450 116.141 -1.691 25642 2895 1 7 . 1 1 45 45 ASP C C 45 175.800 175.800 175.061 0.739 25642 2896 1 7 . 1 1 45 45 ASP CA C 45 53.980 53.980 53.806 0.174 25642 2897 1 7 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.515 2.165 25642 2898 1 7 . 1 1 45 45 ASP H H 45 8.080 8.080 8.304 -0.224 25642 2899 1 7 . 1 1 46 46 LEU N N 46 122.200 122.200 122.112 0.088 25642 2900 1 7 . 1 1 46 46 LEU C C 46 176.290 176.290 175.340 0.950 25642 2901 1 7 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.495 0.125 25642 2902 1 7 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.105 2.854 25642 2903 1 7 . 1 1 46 46 LEU H H 46 7.860 7.860 7.188 0.672 25642 2904 1 7 . 1 1 47 47 THR N N 47 119.850 119.850 121.806 -1.956 25642 2905 1 7 . 1 1 47 47 THR C C 47 174.140 174.140 173.854 0.286 25642 2906 1 7 . 1 1 47 47 THR CA C 47 61.650 61.650 61.196 0.454 25642 2907 1 7 . 1 1 47 47 THR CB C 47 71.210 71.210 70.802 0.408 25642 2908 1 7 . 1 1 47 47 THR H H 47 9.000 9.000 8.448 0.552 25642 2909 1 7 . 1 1 48 48 ILE N N 48 128.090 128.090 127.091 0.999 25642 2910 1 7 . 1 1 48 48 ILE C C 48 174.810 174.810 175.317 -0.507 25642 2911 1 7 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.774 -0.624 25642 2912 1 7 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.126 1.984 25642 2913 1 7 . 1 1 48 48 ILE H H 48 9.330 9.330 8.273 1.057 25642 2914 1 7 . 1 1 49 49 GLU N N 49 129.080 129.080 125.700 3.380 25642 2915 1 7 . 1 1 49 49 GLU C C 49 175.160 175.160 176.807 -1.647 25642 2916 1 7 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.523 -1.023 25642 2917 1 7 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.592 -2.232 25642 2918 1 7 . 1 1 49 49 GLU H H 49 8.830 8.830 8.525 0.305 25642 2919 1 7 . 1 1 50 50 GLY N N 50 114.250 114.250 115.274 -1.024 25642 2920 1 7 . 1 1 50 50 GLY C C 50 170.510 170.510 173.183 -2.673 25642 2921 1 7 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.066 -0.007 25642 2922 1 7 . 1 1 50 50 GLY H H 50 8.320 8.320 8.465 -0.145 25642 2923 1 7 . 1 1 51 51 GLY N N 51 102.740 102.740 109.005 -6.265 25642 2924 1 7 . 1 1 51 51 GLY C C 51 174.230 174.230 173.219 1.011 25642 2925 1 7 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.306 -0.426 25642 2926 1 7 . 1 1 51 51 GLY H H 51 8.000 8.000 8.038 -0.038 25642 2927 1 7 . 1 1 52 52 VAL N N 52 122.770 122.770 123.249 -0.479 25642 2928 1 7 . 1 1 52 52 VAL C C 52 175.290 175.290 174.484 0.806 25642 2929 1 7 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.593 1.577 25642 2930 1 7 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.203 -0.253 25642 2931 1 7 . 1 1 52 52 VAL H H 52 8.550 8.550 8.263 0.287 25642 2932 1 7 . 1 1 53 53 THR N N 53 121.860 121.860 118.424 3.436 25642 2933 1 7 . 1 1 53 53 THR C C 53 173.790 173.790 173.707 0.083 25642 2934 1 7 . 1 1 53 53 THR CA C 53 60.580 60.580 59.813 0.767 25642 2935 1 7 . 1 1 53 53 THR CB C 53 72.310 72.310 70.063 2.247 25642 2936 1 7 . 1 1 53 53 THR H H 53 9.150 9.150 8.201 0.949 25642 2937 1 7 . 1 1 54 54 GLY N N 54 112.960 112.960 111.897 1.063 25642 2938 1 7 . 1 1 54 54 GLY C C 54 172.530 172.530 172.061 0.469 25642 2939 1 7 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.986 -0.116 25642 2940 1 7 . 1 1 54 54 GLY H H 54 9.080 9.080 8.540 0.540 25642 2941 1 7 . 1 1 55 55 GLU N N 55 118.200 118.200 118.095 0.105 25642 2942 1 7 . 1 1 55 55 GLU C C 55 177.350 177.350 176.520 0.830 25642 2943 1 7 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.327 0.773 25642 2944 1 7 . 1 1 55 55 GLU CB C 55 31.140 31.140 32.738 -1.598 25642 2945 1 7 . 1 1 55 55 GLU H H 55 8.790 8.790 8.843 -0.053 25642 2946 1 7 . 1 1 56 56 GLY N N 56 109.740 109.740 110.340 -0.600 25642 2947 1 7 . 1 1 56 56 GLY C C 56 173.400 173.400 172.955 0.445 25642 2948 1 7 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.524 0.166 25642 2949 1 7 . 1 1 56 56 GLY H H 56 8.580 8.580 8.310 0.270 25642 2950 1 7 . 1 1 57 57 GLU N N 57 122.180 122.180 121.911 0.269 25642 2951 1 7 . 1 1 57 57 GLU C C 57 175.970 175.970 174.818 1.152 25642 2952 1 7 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.317 -0.217 25642 2953 1 7 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.384 0.386 25642 2954 1 7 . 1 1 57 57 GLU H H 57 8.810 8.810 8.246 0.564 25642 2955 1 7 . 1 1 58 58 LEU N N 58 126.040 126.040 127.885 -1.845 25642 2956 1 7 . 1 1 58 58 LEU C C 58 173.100 173.100 174.532 -1.432 25642 2957 1 7 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.374 0.306 25642 2958 1 7 . 1 1 58 58 LEU CB C 58 46.440 46.440 43.729 2.711 25642 2959 1 7 . 1 1 58 58 LEU H H 58 8.720 8.720 8.291 0.429 25642 2960 1 7 . 1 1 59 59 GLN N N 59 127.940 127.940 128.187 -0.247 25642 2961 1 7 . 1 1 59 59 GLN C C 59 174.540 174.540 174.340 0.200 25642 2962 1 7 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.224 -0.384 25642 2963 1 7 . 1 1 59 59 GLN CB C 59 29.790 29.790 28.840 0.950 25642 2964 1 7 . 1 1 59 59 GLN H H 59 8.400 8.400 8.619 -0.219 25642 2965 1 7 . 1 1 60 60 ILE N N 60 124.610 124.610 126.928 -2.318 25642 2966 1 7 . 1 1 60 60 ILE C C 60 174.340 174.340 173.201 1.139 25642 2967 1 7 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.119 2.211 25642 2968 1 7 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.420 -0.670 25642 2969 1 7 . 1 1 60 60 ILE H H 60 9.100 9.100 8.210 0.890 25642 2970 1 7 . 1 1 61 61 ASP N N 61 127.350 127.350 127.930 -0.580 25642 2971 1 7 . 1 1 61 61 ASP C C 61 176.210 176.210 174.912 1.298 25642 2972 1 7 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.258 0.642 25642 2973 1 7 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.780 1.700 25642 2974 1 7 . 1 1 61 61 ASP H H 61 9.070 9.070 8.227 0.843 25642 2975 1 7 . 1 1 62 62 GLY N N 62 110.340 110.340 107.175 3.165 25642 2976 1 7 . 1 1 62 62 GLY C C 62 170.870 170.870 172.391 -1.521 25642 2977 1 7 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.534 0.956 25642 2978 1 7 . 1 1 62 62 GLY H H 62 6.590 6.590 7.720 -1.130 25642 2979 1 7 . 1 1 63 63 VAL N N 63 122.570 122.570 119.811 2.759 25642 2980 1 7 . 1 1 63 63 VAL C C 63 176.030 176.030 175.214 0.816 25642 2981 1 7 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.490 0.520 25642 2982 1 7 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.264 2.586 25642 2983 1 7 . 1 1 63 63 VAL H H 63 8.070 8.070 7.797 0.273 25642 2984 1 7 . 1 1 64 64 VAL N N 64 125.470 125.470 128.880 -3.410 25642 2985 1 7 . 1 1 64 64 VAL C C 64 174.410 174.410 174.382 0.028 25642 2986 1 7 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.536 -0.316 25642 2987 1 7 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.081 3.609 25642 2988 1 7 . 1 1 64 64 VAL H H 64 9.010 9.010 8.162 0.848 25642 2989 1 7 . 1 1 65 65 LYS N N 65 129.120 129.120 128.193 0.927 25642 2990 1 7 . 1 1 65 65 LYS C C 65 175.120 175.120 175.896 -0.776 25642 2991 1 7 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.872 -0.562 25642 2992 1 7 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.516 -2.076 25642 2993 1 7 . 1 1 65 65 LYS H H 65 9.150 9.150 8.692 0.458 25642 2994 1 7 . 1 1 66 66 GLY N N 66 115.020 115.020 112.267 2.753 25642 2995 1 7 . 1 1 66 66 GLY C C 66 170.210 170.210 172.478 -2.268 25642 2996 1 7 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.649 -0.169 25642 2997 1 7 . 1 1 66 66 GLY H H 66 8.300 8.300 7.882 0.418 25642 2998 1 7 . 1 1 67 67 ASP N N 67 115.420 115.420 122.033 -6.613 25642 2999 1 7 . 1 1 67 67 ASP C C 67 176.920 176.920 175.553 1.367 25642 3000 1 7 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.070 0.260 25642 3001 1 7 . 1 1 67 67 ASP CB C 67 41.950 41.950 43.646 -1.696 25642 3002 1 7 . 1 1 67 67 ASP H H 67 7.690 7.690 8.374 -0.684 25642 3003 1 7 . 1 1 68 68 VAL N N 68 122.440 122.440 120.682 1.758 25642 3004 1 7 . 1 1 68 68 VAL C C 68 174.450 174.450 173.814 0.636 25642 3005 1 7 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.059 -0.089 25642 3006 1 7 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.948 -0.708 25642 3007 1 7 . 1 1 68 68 VAL H H 68 8.930 8.930 8.076 0.854 25642 3008 1 7 . 1 1 69 69 ARG N N 69 130.610 130.610 128.101 2.509 25642 3009 1 7 . 1 1 69 69 ARG C C 69 175.150 175.150 174.139 1.011 25642 3010 1 7 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.905 -0.085 25642 3011 1 7 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.710 -0.710 25642 3012 1 7 . 1 1 69 69 ARG H H 69 9.110 9.110 8.336 0.774 25642 3013 1 7 . 1 1 70 70 VAL N N 70 114.530 114.530 124.824 -10.294 25642 3014 1 7 . 1 1 70 70 VAL C C 70 175.440 175.440 175.357 0.083 25642 3015 1 7 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.278 -1.878 25642 3016 1 7 . 1 1 70 70 VAL CB C 70 35.370 35.370 36.378 -1.008 25642 3017 1 7 . 1 1 70 70 VAL H H 70 8.290 8.290 8.184 0.106 25642 3018 1 7 . 1 1 71 71 GLY N N 71 108.150 108.150 109.504 -1.354 25642 3019 1 7 . 1 1 71 71 GLY C C 71 174.710 174.710 173.709 1.001 25642 3020 1 7 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.051 1.849 25642 3021 1 7 . 1 1 71 71 GLY H H 71 8.110 8.110 8.650 -0.540 25642 3022 1 7 . 1 1 72 72 ARG N N 72 120.660 120.660 120.252 0.408 25642 3023 1 7 . 1 1 72 72 ARG C C 72 173.620 173.620 173.891 -0.271 25642 3024 1 7 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.884 0.436 25642 3025 1 7 . 1 1 72 72 ARG CB C 72 33.780 33.780 33.901 -0.121 25642 3026 1 7 . 1 1 72 72 ARG H H 72 7.690 7.690 8.054 -0.364 25642 3027 1 7 . 1 1 73 73 LEU N N 73 125.710 125.710 127.928 -2.218 25642 3028 1 7 . 1 1 73 73 LEU C C 73 175.230 175.230 174.663 0.567 25642 3029 1 7 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.977 -1.427 25642 3030 1 7 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.395 1.135 25642 3031 1 7 . 1 1 73 73 LEU H H 73 8.570 8.570 8.576 -0.006 25642 3032 1 7 . 1 1 74 74 THR N N 74 123.150 123.150 124.379 -1.229 25642 3033 1 7 . 1 1 74 74 THR C C 74 173.670 173.670 173.604 0.066 25642 3034 1 7 . 1 1 74 74 THR CA C 74 61.480 61.480 61.532 -0.052 25642 3035 1 7 . 1 1 74 74 THR CB C 74 70.710 70.710 70.186 0.524 25642 3036 1 7 . 1 1 74 74 THR H H 74 8.860 8.860 8.349 0.511 25642 3037 1 7 . 1 1 75 75 VAL N N 75 127.890 127.890 127.597 0.293 25642 3038 1 7 . 1 1 75 75 VAL C C 75 176.800 176.800 176.710 0.090 25642 3039 1 7 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.315 -1.185 25642 3040 1 7 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.072 1.768 25642 3041 1 7 . 1 1 75 75 VAL H H 75 8.910 8.910 8.115 0.795 25642 3042 1 7 . 1 1 76 76 GLY N N 76 116.590 116.590 115.243 1.347 25642 3043 1 7 . 1 1 76 76 GLY C C 76 174.060 174.060 174.106 -0.046 25642 3044 1 7 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.509 -0.279 25642 3045 1 7 . 1 1 76 76 GLY H H 76 8.980 8.980 9.048 -0.068 25642 3046 1 7 . 1 1 77 77 GLU N N 77 121.140 121.140 118.156 2.984 25642 3047 1 7 . 1 1 77 77 GLU C C 77 178.620 178.620 178.396 0.224 25642 3048 1 7 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.063 2.437 25642 3049 1 7 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.133 -0.012 25642 3050 1 7 . 1 1 77 77 GLU H H 77 9.260 9.260 8.223 1.037 25642 3051 1 7 . 1 1 78 78 THR N N 78 105.330 105.330 113.759 -8.429 25642 3052 1 7 . 1 1 78 78 THR C C 78 174.990 174.990 174.734 0.256 25642 3053 1 7 . 1 1 78 78 THR CA C 78 62.040 62.040 63.738 -1.698 25642 3054 1 7 . 1 1 78 78 THR CB C 78 69.880 69.880 68.778 1.102 25642 3055 1 7 . 1 1 78 78 THR H H 78 8.010 8.010 7.954 0.056 25642 3056 1 7 . 1 1 79 79 GLY N N 79 111.420 111.420 109.129 2.291 25642 3057 1 7 . 1 1 79 79 GLY C C 79 174.270 174.270 174.306 -0.036 25642 3058 1 7 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.867 -0.617 25642 3059 1 7 . 1 1 79 79 GLY H H 79 8.240 8.240 7.832 0.408 25642 3060 1 7 . 1 1 80 80 HIS N N 80 123.970 123.970 118.688 5.282 25642 3061 1 7 . 1 1 80 80 HIS C C 80 173.800 173.800 173.810 -0.010 25642 3062 1 7 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.392 0.468 25642 3063 1 7 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.877 4.193 25642 3064 1 7 . 1 1 80 80 HIS H H 80 8.860 8.860 7.509 1.351 25642 3065 1 7 . 1 1 81 81 VAL N N 81 125.720 125.720 125.655 0.065 25642 3066 1 7 . 1 1 81 81 VAL C C 81 174.580 174.580 173.717 0.863 25642 3067 1 7 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.292 -1.632 25642 3068 1 7 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.113 0.747 25642 3069 1 7 . 1 1 81 81 VAL H H 81 8.900 8.900 8.250 0.650 25642 3070 1 7 . 1 1 82 82 GLU N N 82 129.500 129.500 127.061 2.439 25642 3071 1 7 . 1 1 82 82 GLU C C 82 175.200 175.200 175.608 -0.408 25642 3072 1 7 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.023 -1.123 25642 3073 1 7 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.677 -1.807 25642 3074 1 7 . 1 1 82 82 GLU H H 82 9.270 9.270 8.819 0.451 25642 3075 1 7 . 1 1 83 83 GLY N N 83 114.070 114.070 112.072 1.998 25642 3076 1 7 . 1 1 83 83 GLY C C 83 171.310 171.310 171.891 -0.581 25642 3077 1 7 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.347 -0.397 25642 3078 1 7 . 1 1 83 83 GLY H H 83 8.450 8.450 8.064 0.386 25642 3079 1 7 . 1 1 84 84 SER N N 84 113.810 113.810 117.643 -3.833 25642 3080 1 7 . 1 1 84 84 SER C C 84 173.140 173.140 174.023 -0.883 25642 3081 1 7 . 1 1 84 84 SER CA C 84 57.720 57.720 56.458 1.262 25642 3082 1 7 . 1 1 84 84 SER CB C 84 64.950 64.950 64.519 0.431 25642 3083 1 7 . 1 1 84 84 SER H H 84 8.320 8.320 8.051 0.269 25642 3084 1 7 . 1 1 85 85 VAL N N 85 121.060 121.060 121.397 -0.337 25642 3085 1 7 . 1 1 85 85 VAL C C 85 174.960 174.960 173.362 1.598 25642 3086 1 7 . 1 1 85 85 VAL CA C 85 60.420 60.420 59.854 0.566 25642 3087 1 7 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.826 1.074 25642 3088 1 7 . 1 1 85 85 VAL H H 85 8.730 8.730 7.988 0.742 25642 3089 1 7 . 1 1 86 86 TYR N N 86 129.090 129.090 123.765 5.325 25642 3090 1 7 . 1 1 86 86 TYR C C 86 174.420 174.420 174.724 -0.304 25642 3091 1 7 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.841 0.619 25642 3092 1 7 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.658 0.192 25642 3093 1 7 . 1 1 86 86 TYR H H 86 9.580 9.580 8.931 0.649 25642 3094 1 7 . 1 1 87 87 ALA N N 87 122.670 122.670 125.688 -3.018 25642 3095 1 7 . 1 1 87 87 ALA C C 87 177.320 177.320 175.753 1.567 25642 3096 1 7 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.636 0.624 25642 3097 1 7 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.253 0.197 25642 3098 1 7 . 1 1 87 87 ALA H H 87 8.080 8.080 8.328 -0.248 25642 3099 1 7 . 1 1 88 88 GLU N N 88 120.180 120.180 118.914 1.266 25642 3100 1 7 . 1 1 88 88 GLU C C 88 177.310 177.310 176.342 0.968 25642 3101 1 7 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.182 1.008 25642 3102 1 7 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.419 -1.769 25642 3103 1 7 . 1 1 88 88 GLU H H 88 8.640 8.640 8.286 0.354 25642 3104 1 7 . 1 1 89 89 ALA N N 89 118.770 118.770 119.639 -0.869 25642 3105 1 7 . 1 1 89 89 ALA C C 89 175.890 175.890 175.116 0.774 25642 3106 1 7 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.332 1.178 25642 3107 1 7 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.324 -0.054 25642 3108 1 7 . 1 1 89 89 ALA H H 89 7.340 7.340 7.720 -0.380 25642 3109 1 7 . 1 1 90 90 VAL N N 90 119.720 119.720 117.408 2.312 25642 3110 1 7 . 1 1 90 90 VAL C C 90 174.710 174.710 173.865 0.845 25642 3111 1 7 . 1 1 90 90 VAL CA C 90 60.520 60.520 59.892 0.629 25642 3112 1 7 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.492 0.498 25642 3113 1 7 . 1 1 90 90 VAL H H 90 8.490 8.490 7.963 0.527 25642 3114 1 7 . 1 1 91 91 GLU N N 91 128.200 128.200 124.979 3.221 25642 3115 1 7 . 1 1 91 91 GLU C C 91 175.470 175.470 176.107 -0.637 25642 3116 1 7 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.815 -0.025 25642 3117 1 7 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.243 0.437 25642 3118 1 7 . 1 1 91 91 GLU H H 91 9.070 9.070 8.110 0.960 25642 3119 1 7 . 1 1 92 92 VAL N N 92 122.080 122.080 124.196 -2.116 25642 3120 1 7 . 1 1 92 92 VAL C C 92 174.490 174.490 175.663 -1.173 25642 3121 1 7 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.269 0.391 25642 3122 1 7 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.190 0.900 25642 3123 1 7 . 1 1 92 92 VAL H H 92 9.450 9.450 8.243 1.206 25642 3124 1 7 . 1 1 93 93 ARG N N 93 123.900 123.900 122.687 1.213 25642 3125 1 7 . 1 1 93 93 ARG C C 93 176.280 176.280 175.226 1.054 25642 3126 1 7 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.158 1.132 25642 3127 1 7 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.761 -0.871 25642 3128 1 7 . 1 1 93 93 ARG H H 93 9.200 9.200 8.272 0.928 25642 3129 1 7 . 1 1 94 94 GLY N N 94 111.100 111.100 106.721 4.379 25642 3130 1 7 . 1 1 94 94 GLY C C 94 170.710 170.710 171.969 -1.259 25642 3131 1 7 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.314 0.476 25642 3132 1 7 . 1 1 94 94 GLY H H 94 6.250 6.250 8.178 -1.928 25642 3133 1 7 . 1 1 95 95 ARG N N 95 126.190 126.190 119.885 6.305 25642 3134 1 7 . 1 1 95 95 ARG C C 95 175.570 175.570 174.649 0.921 25642 3135 1 7 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.898 -1.228 25642 3136 1 7 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.652 1.268 25642 3137 1 7 . 1 1 95 95 ARG H H 95 8.140 8.140 7.812 0.328 25642 3138 1 7 . 1 1 96 96 VAL N N 96 124.800 124.800 123.934 0.866 25642 3139 1 7 . 1 1 96 96 VAL C C 96 174.070 174.070 173.243 0.827 25642 3140 1 7 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.200 0.960 25642 3141 1 7 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.084 0.776 25642 3142 1 7 . 1 1 96 96 VAL H H 96 9.430 9.430 8.666 0.764 25642 3143 1 7 . 1 1 97 97 VAL N N 97 128.010 128.010 124.108 3.902 25642 3144 1 7 . 1 1 97 97 VAL C C 97 176.430 176.430 174.377 2.053 25642 3145 1 7 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.067 2.013 25642 3146 1 7 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.435 0.195 25642 3147 1 7 . 1 1 97 97 VAL H H 97 9.260 9.260 8.623 0.637 25642 3148 1 7 . 1 1 98 98 GLY N N 98 116.340 116.340 114.698 1.642 25642 3149 1 7 . 1 1 98 98 GLY C C 98 171.770 171.770 172.032 -0.262 25642 3150 1 7 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.373 -0.483 25642 3151 1 7 . 1 1 98 98 GLY H H 98 8.600 8.600 8.602 -0.002 25642 3152 1 7 . 1 1 99 99 ALA N N 99 124.110 124.110 123.701 0.409 25642 3153 1 7 . 1 1 99 99 ALA C C 99 176.060 176.060 174.397 1.663 25642 3154 1 7 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.932 -0.242 25642 3155 1 7 . 1 1 99 99 ALA CB C 99 21.700 21.700 21.652 0.048 25642 3156 1 7 . 1 1 99 99 ALA H H 99 8.110 8.110 7.864 0.246 25642 3157 1 7 . 1 1 100 100 ILE N N 100 119.340 119.340 123.721 -4.381 25642 3158 1 7 . 1 1 100 100 ILE C C 100 174.770 174.770 173.419 1.351 25642 3159 1 7 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.292 1.328 25642 3160 1 7 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.571 0.749 25642 3161 1 7 . 1 1 100 100 ILE H H 100 8.910 8.910 8.061 0.849 25642 3162 1 7 . 1 1 101 101 THR N N 101 127.010 127.010 125.208 1.802 25642 3163 1 7 . 1 1 101 101 THR C C 101 173.980 173.980 173.446 0.534 25642 3164 1 7 . 1 1 101 101 THR CA C 101 61.620 61.620 61.433 0.187 25642 3165 1 7 . 1 1 101 101 THR CB C 101 69.700 69.700 70.107 -0.407 25642 3166 1 7 . 1 1 101 101 THR H H 101 8.950 8.950 8.372 0.578 25642 3167 1 7 . 1 1 102 102 SER N N 102 119.870 119.870 121.553 -1.683 25642 3168 1 7 . 1 1 102 102 SER C C 102 174.000 174.000 173.586 0.414 25642 3169 1 7 . 1 1 102 102 SER CA C 102 56.190 56.190 56.971 -0.781 25642 3170 1 7 . 1 1 102 102 SER CB C 102 64.710 64.710 67.097 -2.387 25642 3171 1 7 . 1 1 102 102 SER H H 102 8.800 8.800 8.463 0.337 25642 3172 1 7 . 1 1 103 103 LYS N N 103 124.650 124.650 120.882 3.768 25642 3173 1 7 . 1 1 103 103 LYS C C 103 177.200 177.200 176.423 0.777 25642 3174 1 7 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.172 3.128 25642 3175 1 7 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.731 -1.222 25642 3176 1 7 . 1 1 103 103 LYS H H 103 7.560 7.560 8.518 -0.958 25642 3177 1 7 . 1 1 104 104 GLN N N 104 115.370 115.370 117.778 -2.408 25642 3178 1 7 . 1 1 104 104 GLN C C 104 174.650 174.650 173.744 0.906 25642 3179 1 7 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.623 0.237 25642 3180 1 7 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.957 -1.077 25642 3181 1 7 . 1 1 104 104 GLN H H 104 7.650 7.650 7.961 -0.311 25642 3182 1 7 . 1 1 105 105 VAL N N 105 125.510 125.510 124.885 0.625 25642 3183 1 7 . 1 1 105 105 VAL C C 105 174.530 174.530 173.168 1.362 25642 3184 1 7 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.253 0.667 25642 3185 1 7 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.367 -0.367 25642 3186 1 7 . 1 1 105 105 VAL H H 105 8.670 8.670 8.269 0.401 25642 3187 1 7 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.983 1.067 25642 3188 1 7 . 1 1 106 106 ARG CB C 106 33.740 33.740 34.087 -0.347 25642 3189 1 7 . 1 1 106 106 ARG H H 106 8.560 8.560 8.272 0.288 25642 3190 1 7 . 1 1 107 107 LEU N N 107 125.820 125.820 126.477 -0.657 25642 3191 1 7 . 1 1 107 107 LEU C C 107 176.190 176.190 175.252 0.938 25642 3192 1 7 . 1 1 107 107 LEU CA C 107 53.570 53.570 53.977 -0.407 25642 3193 1 7 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.516 0.614 25642 3194 1 7 . 1 1 107 107 LEU H H 107 8.730 8.730 8.041 0.689 25642 3195 1 7 . 1 1 108 108 TYR N N 108 120.870 120.870 124.162 -3.292 25642 3196 1 7 . 1 1 108 108 TYR C C 108 178.880 178.880 176.403 2.477 25642 3197 1 7 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.603 0.927 25642 3198 1 7 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.785 -1.004 25642 3199 1 7 . 1 1 108 108 TYR H H 108 8.280 8.280 7.729 0.551 25642 3200 1 7 . 1 1 109 109 GLY N N 109 112.380 112.380 108.561 3.819 25642 3201 1 7 . 1 1 109 109 GLY C C 109 172.330 172.330 175.127 -2.797 25642 3202 1 7 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.387 1.893 25642 3203 1 7 . 1 1 109 109 GLY H H 109 10.080 10.080 8.781 1.299 25642 3204 1 7 . 1 1 110 110 THR N N 110 103.280 103.280 117.007 -13.727 25642 3205 1 7 . 1 1 110 110 THR C C 110 175.370 175.370 174.699 0.671 25642 3206 1 7 . 1 1 110 110 THR CA C 110 61.220 61.220 63.220 -2.000 25642 3207 1 7 . 1 1 110 110 THR CB C 110 70.160 70.160 68.324 1.836 25642 3208 1 7 . 1 1 110 110 THR H H 110 6.910 6.910 8.547 -1.637 25642 3209 1 7 . 1 1 111 111 SER N N 111 118.040 118.040 117.777 0.263 25642 3210 1 7 . 1 1 111 111 SER C C 111 174.740 174.740 173.264 1.476 25642 3211 1 7 . 1 1 111 111 SER CA C 111 59.070 59.070 60.687 -1.617 25642 3212 1 7 . 1 1 111 111 SER CB C 111 67.870 67.870 64.122 3.748 25642 3213 1 7 . 1 1 111 111 SER H H 111 7.960 7.960 7.765 0.195 25642 3214 1 7 . 1 1 112 112 TYR N N 112 124.220 124.220 119.644 4.576 25642 3215 1 7 . 1 1 112 112 TYR C C 112 174.090 174.090 173.711 0.379 25642 3216 1 7 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.391 0.019 25642 3217 1 7 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.479 -1.789 25642 3218 1 7 . 1 1 112 112 TYR H H 112 8.720 8.720 8.275 0.445 25642 3219 1 7 . 1 1 113 113 VAL N N 113 129.090 129.090 125.484 3.606 25642 3220 1 7 . 1 1 113 113 VAL C C 113 173.870 173.870 174.149 -0.279 25642 3221 1 7 . 1 1 113 113 VAL CA C 113 61.040 61.040 61.285 -0.244 25642 3222 1 7 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.119 0.811 25642 3223 1 7 . 1 1 113 113 VAL H H 113 9.640 9.640 7.950 1.690 25642 3224 1 7 . 1 1 114 114 ASP N N 114 127.460 127.460 126.113 1.347 25642 3225 1 7 . 1 1 114 114 ASP C C 114 176.250 176.250 175.346 0.904 25642 3226 1 7 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.757 -1.287 25642 3227 1 7 . 1 1 114 114 ASP CB C 114 43.220 43.220 44.075 -0.855 25642 3228 1 7 . 1 1 114 114 ASP H H 114 8.630 8.630 8.155 0.475 25642 3229 1 7 . 1 1 115 115 GLY N N 115 113.040 113.040 111.066 1.974 25642 3230 1 7 . 1 1 115 115 GLY C C 115 171.140 171.140 172.462 -1.322 25642 3231 1 7 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.043 0.107 25642 3232 1 7 . 1 1 115 115 GLY H H 115 8.880 8.880 8.171 0.709 25642 3233 1 7 . 1 1 116 116 ASP N N 116 117.450 117.450 123.297 -5.847 25642 3234 1 7 . 1 1 116 116 ASP C C 116 176.850 176.850 175.871 0.979 25642 3235 1 7 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.704 -0.344 25642 3236 1 7 . 1 1 116 116 ASP CB C 116 42.370 42.370 40.817 1.553 25642 3237 1 7 . 1 1 116 116 ASP H H 116 7.390 7.390 8.079 -0.689 25642 3238 1 7 . 1 1 117 117 ILE N N 117 121.440 121.440 127.323 -5.883 25642 3239 1 7 . 1 1 117 117 ILE C C 117 176.780 176.780 175.184 1.596 25642 3240 1 7 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.955 -0.235 25642 3241 1 7 . 1 1 117 117 ILE CB C 117 38.630 38.630 39.914 -1.284 25642 3242 1 7 . 1 1 117 117 ILE H H 117 9.200 9.200 8.089 1.111 25642 3243 1 7 . 1 1 118 118 THR N N 118 131.550 131.550 122.656 8.894 25642 3244 1 7 . 1 1 118 118 THR C C 118 173.630 173.630 172.855 0.775 25642 3245 1 7 . 1 1 118 118 THR CA C 118 62.110 62.110 61.668 0.442 25642 3246 1 7 . 1 1 118 118 THR CB C 118 67.860 67.860 69.467 -1.607 25642 3247 1 7 . 1 1 118 118 THR H H 118 9.560 9.560 8.164 1.396 25642 3248 1 7 . 1 1 119 119 HIS N N 119 121.300 121.300 122.157 -0.857 25642 3249 1 7 . 1 1 119 119 HIS C C 119 174.780 174.780 174.798 -0.018 25642 3250 1 7 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.031 1.819 25642 3251 1 7 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.629 -0.079 25642 3252 1 7 . 1 1 119 119 HIS H H 119 8.290 8.290 8.087 0.203 25642 3253 1 7 . 1 1 120 120 GLU N N 120 118.130 118.130 120.405 -2.275 25642 3254 1 7 . 1 1 120 120 GLU C C 120 177.120 177.120 176.839 0.281 25642 3255 1 7 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.677 2.103 25642 3256 1 7 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.393 -0.093 25642 3257 1 7 . 1 1 120 120 GLU H H 120 7.710 7.710 8.855 -1.145 25642 3258 1 7 . 1 1 121 121 GLN N N 121 117.670 117.670 118.931 -1.261 25642 3259 1 7 . 1 1 121 121 GLN C C 121 172.760 172.760 173.909 -1.149 25642 3260 1 7 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.838 1.042 25642 3261 1 7 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.259 1.321 25642 3262 1 7 . 1 1 121 121 GLN H H 121 8.950 8.950 7.664 1.286 25642 3263 1 7 . 1 1 122 122 LEU N N 122 126.250 126.250 118.097 8.153 25642 3264 1 7 . 1 1 122 122 LEU C C 122 173.300 173.300 175.226 -1.926 25642 3265 1 7 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.167 0.653 25642 3266 1 7 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.661 -0.211 25642 3267 1 7 . 1 1 122 122 LEU H H 122 8.660 8.660 8.265 0.395 25642 3268 1 7 . 1 1 123 123 ALA N N 123 126.670 126.670 123.187 3.483 25642 3269 1 7 . 1 1 123 123 ALA C C 123 175.940 175.940 174.820 1.120 25642 3270 1 7 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.497 -1.927 25642 3271 1 7 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.760 0.590 25642 3272 1 7 . 1 1 123 123 ALA H H 123 8.090 8.090 8.379 -0.289 25642 3273 1 7 . 1 1 124 124 MET N N 124 119.800 119.800 121.152 -1.352 25642 3274 1 7 . 1 1 124 124 MET C C 124 174.960 174.960 175.470 -0.510 25642 3275 1 7 . 1 1 124 124 MET CA C 124 54.770 54.770 54.087 0.682 25642 3276 1 7 . 1 1 124 124 MET CB C 124 37.620 37.620 33.843 3.777 25642 3277 1 7 . 1 1 124 124 MET H H 124 8.810 8.810 8.443 0.367 25642 3278 1 7 . 1 1 125 125 GLU N N 125 125.500 125.500 123.940 1.560 25642 3279 1 7 . 1 1 125 125 GLU C C 125 175.410 175.410 176.004 -0.594 25642 3280 1 7 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.772 0.898 25642 3281 1 7 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.082 -0.572 25642 3282 1 7 . 1 1 125 125 GLU H H 125 8.760 8.760 8.166 0.594 25642 3283 1 7 . 1 1 126 126 THR N N 126 118.440 118.440 117.713 0.727 25642 3284 1 7 . 1 1 126 126 THR C C 126 174.300 174.300 174.794 -0.494 25642 3285 1 7 . 1 1 126 126 THR CA C 126 65.870 65.870 64.472 1.398 25642 3286 1 7 . 1 1 126 126 THR CB C 126 69.050 69.050 68.903 0.147 25642 3287 1 7 . 1 1 127 127 GLY N N 127 116.970 116.970 110.938 6.032 25642 3288 1 7 . 1 1 127 127 GLY C C 127 175.320 175.320 172.908 2.412 25642 3289 1 7 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.717 0.283 25642 3290 1 7 . 1 1 128 128 ALA N N 128 124.190 124.190 123.466 0.724 25642 3291 1 7 . 1 1 128 128 ALA C C 128 177.670 177.670 175.728 1.942 25642 3292 1 7 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.370 2.270 25642 3293 1 7 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.570 0.180 25642 3294 1 7 . 1 1 128 128 ALA H H 128 7.930 7.930 7.289 0.641 25642 3295 1 7 . 1 1 129 129 PHE N N 129 127.300 127.300 126.107 1.193 25642 3296 1 7 . 1 1 129 129 PHE C C 129 173.400 173.400 172.980 0.420 25642 3297 1 7 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.478 0.412 25642 3298 1 7 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.284 -0.764 25642 3299 1 7 . 1 1 129 129 PHE H H 129 8.550 8.550 7.990 0.560 25642 3300 1 7 . 1 1 130 130 PHE N N 130 131.220 131.220 120.118 11.102 25642 3301 1 7 . 1 1 130 130 PHE C C 130 173.550 173.550 173.986 -0.436 25642 3302 1 7 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.338 -1.968 25642 3303 1 7 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.869 -1.409 25642 3304 1 7 . 1 1 130 130 PHE H H 130 8.860 8.860 7.773 1.087 25642 3305 1 7 . 1 1 131 131 GLN N N 131 130.230 130.230 124.158 6.072 25642 3306 1 7 . 1 1 131 131 GLN C C 131 173.350 173.350 174.508 -1.158 25642 3307 1 7 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.797 -1.377 25642 3308 1 7 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.884 2.116 25642 3309 1 7 . 1 1 131 131 GLN H H 131 8.840 8.840 8.511 0.329 25642 3310 1 7 . 1 1 132 132 GLY N N 132 112.460 112.460 109.688 2.772 25642 3311 1 7 . 1 1 132 132 GLY C C 132 172.750 172.750 173.078 -0.328 25642 3312 1 7 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.058 -0.588 25642 3313 1 7 . 1 1 133 133 ARG N N 133 119.950 119.950 120.171 -0.221 25642 3314 1 7 . 1 1 133 133 ARG C C 133 173.910 173.910 175.681 -1.771 25642 3315 1 7 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.936 -0.066 25642 3316 1 7 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.674 1.516 25642 3317 1 7 . 1 1 133 133 ARG H H 133 8.470 8.470 8.156 0.314 25642 3318 1 7 . 1 1 134 134 SER N N 134 119.120 119.120 120.216 -1.096 25642 3319 1 7 . 1 1 134 134 SER C C 134 174.260 174.260 174.001 0.259 25642 3320 1 7 . 1 1 134 134 SER CA C 134 57.140 57.140 58.038 -0.897 25642 3321 1 7 . 1 1 134 134 SER CB C 134 63.450 63.450 63.439 0.011 25642 3322 1 7 . 1 1 134 134 SER H H 134 8.680 8.680 8.719 -0.039 25642 3323 1 7 . 1 1 135 135 LEU N N 135 127.740 127.740 128.573 -0.833 25642 3324 1 7 . 1 1 135 135 LEU C C 135 174.990 174.990 175.687 -0.697 25642 3325 1 7 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.140 -0.920 25642 3326 1 7 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.222 2.958 25642 3327 1 7 . 1 1 135 135 LEU H H 135 8.560 8.560 8.178 0.382 25642 3328 1 7 . 1 1 136 136 LYS N N 136 118.190 118.190 123.412 -5.222 25642 3329 1 7 . 1 1 136 136 LYS C C 136 178.030 178.030 176.050 1.980 25642 3330 1 7 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.750 -2.690 25642 3331 1 7 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.603 -1.593 25642 3332 1 7 . 1 1 136 136 LYS H H 136 8.180 8.180 8.363 -0.183 25642 3333 1 7 . 1 1 137 137 PHE N N 137 121.570 121.570 126.950 -5.380 25642 3334 1 7 . 1 1 137 137 PHE C C 137 176.370 176.370 175.837 0.533 25642 3335 1 7 . 1 1 137 137 PHE CA C 137 58.940 58.940 59.818 -0.878 25642 3336 1 7 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.392 0.337 25642 3337 1 7 . 1 1 137 137 PHE H H 137 7.800 7.800 8.620 -0.820 25642 3338 1 7 . 1 1 138 138 GLN N N 138 123.070 123.070 121.253 1.817 25642 3339 1 7 . 1 1 138 138 GLN H H 138 8.560 8.560 8.307 0.253 25642 3340 1 8 . 1 1 38 38 VAL C C 38 175.900 175.900 175.836 0.064 25642 3341 1 8 . 1 1 39 39 ALA N N 39 130.020 130.020 120.151 9.869 25642 3342 1 8 . 1 1 39 39 ALA C C 39 177.440 177.440 176.587 0.853 25642 3343 1 8 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.742 1.639 25642 3344 1 8 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.430 -0.610 25642 3345 1 8 . 1 1 39 39 ALA H H 39 8.200 8.200 7.655 0.545 25642 3346 1 8 . 1 1 40 40 SER N N 40 115.080 115.080 118.170 -3.090 25642 3347 1 8 . 1 1 40 40 SER C C 40 173.460 173.460 173.032 0.428 25642 3348 1 8 . 1 1 40 40 SER CA C 40 60.040 60.040 57.103 2.937 25642 3349 1 8 . 1 1 40 40 SER CB C 40 66.420 66.420 65.219 1.201 25642 3350 1 8 . 1 1 40 40 SER H H 40 7.970 7.970 8.295 -0.325 25642 3351 1 8 . 1 1 41 41 LEU N N 41 127.860 127.860 126.473 1.387 25642 3352 1 8 . 1 1 41 41 LEU C C 41 174.130 174.130 175.102 -0.972 25642 3353 1 8 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.431 0.229 25642 3354 1 8 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.010 2.290 25642 3355 1 8 . 1 1 41 41 LEU H H 41 9.490 9.490 8.442 1.048 25642 3356 1 8 . 1 1 42 42 LEU N N 42 126.730 126.730 128.689 -1.959 25642 3357 1 8 . 1 1 42 42 LEU C C 42 175.120 175.120 176.609 -1.489 25642 3358 1 8 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.639 -0.929 25642 3359 1 8 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.783 -2.323 25642 3360 1 8 . 1 1 42 42 LEU H H 42 8.640 8.640 8.218 0.422 25642 3361 1 8 . 1 1 43 43 SER N N 43 123.530 123.530 120.096 3.434 25642 3362 1 8 . 1 1 43 43 SER C C 43 172.810 172.810 175.268 -2.458 25642 3363 1 8 . 1 1 43 43 SER CA C 43 58.990 58.990 58.203 0.787 25642 3364 1 8 . 1 1 43 43 SER CB C 43 64.200 64.200 63.806 0.394 25642 3365 1 8 . 1 1 43 43 SER H H 43 9.060 9.060 8.474 0.586 25642 3366 1 8 . 1 1 44 44 ALA N N 44 119.250 119.250 122.024 -2.774 25642 3367 1 8 . 1 1 44 44 ALA C C 44 177.720 177.720 179.425 -1.705 25642 3368 1 8 . 1 1 44 44 ALA CA C 44 54.000 54.000 54.275 -0.275 25642 3369 1 8 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.969 -0.239 25642 3370 1 8 . 1 1 44 44 ALA H H 44 8.490 8.490 8.301 0.189 25642 3371 1 8 . 1 1 45 45 ASP N N 45 114.450 114.450 118.776 -4.326 25642 3372 1 8 . 1 1 45 45 ASP C C 45 175.800 175.800 174.590 1.210 25642 3373 1 8 . 1 1 45 45 ASP CA C 45 53.980 53.980 53.901 0.079 25642 3374 1 8 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.189 1.491 25642 3375 1 8 . 1 1 45 45 ASP H H 45 8.080 8.080 8.592 -0.512 25642 3376 1 8 . 1 1 46 46 LEU N N 46 122.200 122.200 120.530 1.670 25642 3377 1 8 . 1 1 46 46 LEU C C 46 176.290 176.290 175.565 0.725 25642 3378 1 8 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.172 0.448 25642 3379 1 8 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.614 2.346 25642 3380 1 8 . 1 1 46 46 LEU H H 46 7.860 7.860 7.357 0.503 25642 3381 1 8 . 1 1 47 47 THR N N 47 119.850 119.850 118.446 1.404 25642 3382 1 8 . 1 1 47 47 THR C C 47 174.140 174.140 174.017 0.123 25642 3383 1 8 . 1 1 47 47 THR CA C 47 61.650 61.650 60.734 0.916 25642 3384 1 8 . 1 1 47 47 THR CB C 47 71.210 71.210 69.252 1.958 25642 3385 1 8 . 1 1 47 47 THR H H 47 9.000 9.000 8.429 0.571 25642 3386 1 8 . 1 1 48 48 ILE N N 48 128.090 128.090 128.433 -0.343 25642 3387 1 8 . 1 1 48 48 ILE C C 48 174.810 174.810 175.596 -0.786 25642 3388 1 8 . 1 1 48 48 ILE CA C 48 59.150 59.150 58.878 0.272 25642 3389 1 8 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.630 0.480 25642 3390 1 8 . 1 1 48 48 ILE H H 48 9.330 9.330 8.157 1.173 25642 3391 1 8 . 1 1 49 49 GLU N N 49 129.080 129.080 125.288 3.792 25642 3392 1 8 . 1 1 49 49 GLU C C 49 175.160 175.160 176.546 -1.386 25642 3393 1 8 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.173 -0.673 25642 3394 1 8 . 1 1 49 49 GLU CB C 49 30.360 30.360 29.746 0.614 25642 3395 1 8 . 1 1 49 49 GLU H H 49 8.830 8.830 8.695 0.135 25642 3396 1 8 . 1 1 50 50 GLY N N 50 114.250 114.250 110.789 3.461 25642 3397 1 8 . 1 1 50 50 GLY C C 50 170.510 170.510 174.833 -4.323 25642 3398 1 8 . 1 1 50 50 GLY CA C 50 45.060 45.060 46.035 -0.975 25642 3399 1 8 . 1 1 50 50 GLY H H 50 8.320 8.320 8.807 -0.487 25642 3400 1 8 . 1 1 51 51 GLY N N 51 102.740 102.740 111.758 -9.018 25642 3401 1 8 . 1 1 51 51 GLY C C 51 174.230 174.230 173.831 0.399 25642 3402 1 8 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.345 -0.465 25642 3403 1 8 . 1 1 51 51 GLY H H 51 8.000 8.000 8.364 -0.364 25642 3404 1 8 . 1 1 52 52 VAL N N 52 122.770 122.770 118.201 4.569 25642 3405 1 8 . 1 1 52 52 VAL C C 52 175.290 175.290 174.585 0.705 25642 3406 1 8 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.248 0.922 25642 3407 1 8 . 1 1 52 52 VAL CB C 52 34.950 34.950 32.856 2.094 25642 3408 1 8 . 1 1 52 52 VAL H H 52 8.550 8.550 7.417 1.133 25642 3409 1 8 . 1 1 53 53 THR N N 53 121.860 121.860 115.212 6.648 25642 3410 1 8 . 1 1 53 53 THR C C 53 173.790 173.790 174.461 -0.671 25642 3411 1 8 . 1 1 53 53 THR CA C 53 60.580 60.580 60.755 -0.175 25642 3412 1 8 . 1 1 53 53 THR CB C 53 72.310 72.310 70.835 1.475 25642 3413 1 8 . 1 1 53 53 THR H H 53 9.150 9.150 8.112 1.038 25642 3414 1 8 . 1 1 54 54 GLY N N 54 112.960 112.960 113.048 -0.088 25642 3415 1 8 . 1 1 54 54 GLY C C 54 172.530 172.530 172.141 0.389 25642 3416 1 8 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.012 0.858 25642 3417 1 8 . 1 1 54 54 GLY H H 54 9.080 9.080 8.130 0.950 25642 3418 1 8 . 1 1 55 55 GLU N N 55 118.200 118.200 120.338 -2.138 25642 3419 1 8 . 1 1 55 55 GLU C C 55 177.350 177.350 174.752 2.598 25642 3420 1 8 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.968 0.132 25642 3421 1 8 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.522 0.618 25642 3422 1 8 . 1 1 55 55 GLU H H 55 8.790 8.790 8.662 0.128 25642 3423 1 8 . 1 1 56 56 GLY N N 56 109.740 109.740 110.693 -0.953 25642 3424 1 8 . 1 1 56 56 GLY C C 56 173.400 173.400 172.673 0.727 25642 3425 1 8 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.055 -0.365 25642 3426 1 8 . 1 1 56 56 GLY H H 56 8.580 8.580 8.160 0.420 25642 3427 1 8 . 1 1 57 57 GLU N N 57 122.180 122.180 121.673 0.507 25642 3428 1 8 . 1 1 57 57 GLU C C 57 175.970 175.970 174.679 1.291 25642 3429 1 8 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.530 -0.430 25642 3430 1 8 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.932 0.838 25642 3431 1 8 . 1 1 57 57 GLU H H 57 8.810 8.810 8.132 0.678 25642 3432 1 8 . 1 1 58 58 LEU N N 58 126.040 126.040 129.342 -3.302 25642 3433 1 8 . 1 1 58 58 LEU C C 58 173.100 173.100 174.150 -1.050 25642 3434 1 8 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.777 -0.097 25642 3435 1 8 . 1 1 58 58 LEU CB C 58 46.440 46.440 43.968 2.473 25642 3436 1 8 . 1 1 58 58 LEU H H 58 8.720 8.720 8.410 0.310 25642 3437 1 8 . 1 1 59 59 GLN N N 59 127.940 127.940 128.463 -0.523 25642 3438 1 8 . 1 1 59 59 GLN C C 59 174.540 174.540 174.156 0.384 25642 3439 1 8 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.250 -0.410 25642 3440 1 8 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.650 0.140 25642 3441 1 8 . 1 1 59 59 GLN H H 59 8.400 8.400 8.113 0.287 25642 3442 1 8 . 1 1 60 60 ILE N N 60 124.610 124.610 126.219 -1.609 25642 3443 1 8 . 1 1 60 60 ILE C C 60 174.340 174.340 172.963 1.377 25642 3444 1 8 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.580 1.750 25642 3445 1 8 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.364 -0.614 25642 3446 1 8 . 1 1 60 60 ILE H H 60 9.100 9.100 8.168 0.932 25642 3447 1 8 . 1 1 61 61 ASP N N 61 127.350 127.350 126.973 0.377 25642 3448 1 8 . 1 1 61 61 ASP C C 61 176.210 176.210 174.647 1.563 25642 3449 1 8 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.545 0.355 25642 3450 1 8 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.246 1.234 25642 3451 1 8 . 1 1 61 61 ASP H H 61 9.070 9.070 8.095 0.975 25642 3452 1 8 . 1 1 62 62 GLY N N 62 110.340 110.340 106.946 3.394 25642 3453 1 8 . 1 1 62 62 GLY C C 62 170.870 170.870 172.427 -1.557 25642 3454 1 8 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.549 0.941 25642 3455 1 8 . 1 1 62 62 GLY H H 62 6.590 6.590 7.715 -1.125 25642 3456 1 8 . 1 1 63 63 VAL N N 63 122.570 122.570 119.980 2.590 25642 3457 1 8 . 1 1 63 63 VAL C C 63 176.030 176.030 174.701 1.329 25642 3458 1 8 . 1 1 63 63 VAL CA C 63 61.010 61.010 61.430 -0.420 25642 3459 1 8 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.233 2.617 25642 3460 1 8 . 1 1 63 63 VAL H H 63 8.070 8.070 7.873 0.197 25642 3461 1 8 . 1 1 64 64 VAL N N 64 125.470 125.470 128.940 -3.470 25642 3462 1 8 . 1 1 64 64 VAL C C 64 174.410 174.410 174.027 0.383 25642 3463 1 8 . 1 1 64 64 VAL CA C 64 61.220 61.220 59.535 1.685 25642 3464 1 8 . 1 1 64 64 VAL CB C 64 35.690 35.690 34.157 1.533 25642 3465 1 8 . 1 1 64 64 VAL H H 64 9.010 9.010 8.151 0.859 25642 3466 1 8 . 1 1 65 65 LYS N N 65 129.120 129.120 128.489 0.631 25642 3467 1 8 . 1 1 65 65 LYS C C 65 175.120 175.120 176.121 -1.001 25642 3468 1 8 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.499 -0.189 25642 3469 1 8 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.369 -2.929 25642 3470 1 8 . 1 1 65 65 LYS H H 65 9.150 9.150 7.968 1.182 25642 3471 1 8 . 1 1 66 66 GLY N N 66 115.020 115.020 112.557 2.463 25642 3472 1 8 . 1 1 66 66 GLY C C 66 170.210 170.210 172.173 -1.963 25642 3473 1 8 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.754 -0.274 25642 3474 1 8 . 1 1 66 66 GLY H H 66 8.300 8.300 8.231 0.069 25642 3475 1 8 . 1 1 67 67 ASP N N 67 115.420 115.420 124.887 -9.467 25642 3476 1 8 . 1 1 67 67 ASP C C 67 176.920 176.920 174.891 2.029 25642 3477 1 8 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.116 0.214 25642 3478 1 8 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.941 -0.990 25642 3479 1 8 . 1 1 67 67 ASP H H 67 7.690 7.690 8.572 -0.882 25642 3480 1 8 . 1 1 68 68 VAL N N 68 122.440 122.440 123.300 -0.860 25642 3481 1 8 . 1 1 68 68 VAL C C 68 174.450 174.450 174.046 0.404 25642 3482 1 8 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.673 0.297 25642 3483 1 8 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.653 1.587 25642 3484 1 8 . 1 1 68 68 VAL H H 68 8.930 8.930 8.058 0.872 25642 3485 1 8 . 1 1 69 69 ARG N N 69 130.610 130.610 128.657 1.953 25642 3486 1 8 . 1 1 69 69 ARG C C 69 175.150 175.150 174.205 0.945 25642 3487 1 8 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.515 0.305 25642 3488 1 8 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.151 -1.151 25642 3489 1 8 . 1 1 69 69 ARG H H 69 9.110 9.110 8.506 0.604 25642 3490 1 8 . 1 1 70 70 VAL N N 70 114.530 114.530 124.631 -10.101 25642 3491 1 8 . 1 1 70 70 VAL C C 70 175.440 175.440 174.273 1.167 25642 3492 1 8 . 1 1 70 70 VAL CA C 70 58.400 58.400 59.893 -1.493 25642 3493 1 8 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.190 0.180 25642 3494 1 8 . 1 1 70 70 VAL H H 70 8.290 8.290 7.726 0.564 25642 3495 1 8 . 1 1 71 71 GLY N N 71 108.150 108.150 109.512 -1.362 25642 3496 1 8 . 1 1 71 71 GLY C C 71 174.710 174.710 173.437 1.273 25642 3497 1 8 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.674 1.226 25642 3498 1 8 . 1 1 71 71 GLY H H 71 8.110 8.110 8.740 -0.630 25642 3499 1 8 . 1 1 72 72 ARG N N 72 120.660 120.660 120.238 0.422 25642 3500 1 8 . 1 1 72 72 ARG C C 72 173.620 173.620 173.504 0.116 25642 3501 1 8 . 1 1 72 72 ARG CA C 72 55.320 55.320 55.056 0.264 25642 3502 1 8 . 1 1 72 72 ARG CB C 72 33.780 33.780 33.836 -0.056 25642 3503 1 8 . 1 1 72 72 ARG H H 72 7.690 7.690 7.747 -0.057 25642 3504 1 8 . 1 1 73 73 LEU N N 73 125.710 125.710 129.825 -4.115 25642 3505 1 8 . 1 1 73 73 LEU C C 73 175.230 175.230 174.904 0.326 25642 3506 1 8 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.676 -1.126 25642 3507 1 8 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.708 1.822 25642 3508 1 8 . 1 1 73 73 LEU H H 73 8.570 8.570 8.808 -0.238 25642 3509 1 8 . 1 1 74 74 THR N N 74 123.150 123.150 125.135 -1.985 25642 3510 1 8 . 1 1 74 74 THR C C 74 173.670 173.670 173.575 0.095 25642 3511 1 8 . 1 1 74 74 THR CA C 74 61.480 61.480 61.853 -0.373 25642 3512 1 8 . 1 1 74 74 THR CB C 74 70.710 70.710 69.986 0.724 25642 3513 1 8 . 1 1 74 74 THR H H 74 8.860 8.860 8.861 -0.001 25642 3514 1 8 . 1 1 75 75 VAL N N 75 127.890 127.890 127.933 -0.043 25642 3515 1 8 . 1 1 75 75 VAL C C 75 176.800 176.800 176.796 0.004 25642 3516 1 8 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.707 -0.577 25642 3517 1 8 . 1 1 75 75 VAL CB C 75 32.840 32.840 29.999 2.841 25642 3518 1 8 . 1 1 75 75 VAL H H 75 8.910 8.910 8.517 0.393 25642 3519 1 8 . 1 1 76 76 GLY N N 76 116.590 116.590 115.957 0.633 25642 3520 1 8 . 1 1 76 76 GLY C C 76 174.060 174.060 174.316 -0.256 25642 3521 1 8 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.558 -0.328 25642 3522 1 8 . 1 1 76 76 GLY H H 76 8.980 8.980 9.146 -0.166 25642 3523 1 8 . 1 1 77 77 GLU N N 77 121.140 121.140 118.530 2.610 25642 3524 1 8 . 1 1 77 77 GLU C C 77 178.620 178.620 178.286 0.334 25642 3525 1 8 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.078 2.422 25642 3526 1 8 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.065 0.055 25642 3527 1 8 . 1 1 77 77 GLU H H 77 9.260 9.260 8.246 1.014 25642 3528 1 8 . 1 1 78 78 THR N N 78 105.330 105.330 113.524 -8.194 25642 3529 1 8 . 1 1 78 78 THR C C 78 174.990 174.990 175.473 -0.483 25642 3530 1 8 . 1 1 78 78 THR CA C 78 62.040 62.040 64.514 -2.474 25642 3531 1 8 . 1 1 78 78 THR CB C 78 69.880 69.880 68.683 1.197 25642 3532 1 8 . 1 1 78 78 THR H H 78 8.010 8.010 8.041 -0.031 25642 3533 1 8 . 1 1 79 79 GLY N N 79 111.420 111.420 109.069 2.351 25642 3534 1 8 . 1 1 79 79 GLY C C 79 174.270 174.270 174.490 -0.220 25642 3535 1 8 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.164 -0.914 25642 3536 1 8 . 1 1 79 79 GLY H H 79 8.240 8.240 8.389 -0.149 25642 3537 1 8 . 1 1 80 80 HIS N N 80 123.970 123.970 118.402 5.568 25642 3538 1 8 . 1 1 80 80 HIS C C 80 173.800 173.800 173.753 0.047 25642 3539 1 8 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.738 -0.878 25642 3540 1 8 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.395 3.675 25642 3541 1 8 . 1 1 80 80 HIS H H 80 8.860 8.860 7.665 1.195 25642 3542 1 8 . 1 1 81 81 VAL N N 81 125.720 125.720 125.493 0.227 25642 3543 1 8 . 1 1 81 81 VAL C C 81 174.580 174.580 173.597 0.983 25642 3544 1 8 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.094 -1.434 25642 3545 1 8 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.904 -0.044 25642 3546 1 8 . 1 1 81 81 VAL H H 81 8.900 8.900 8.198 0.702 25642 3547 1 8 . 1 1 82 82 GLU N N 82 129.500 129.500 128.085 1.415 25642 3548 1 8 . 1 1 82 82 GLU C C 82 175.200 175.200 175.386 -0.186 25642 3549 1 8 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.784 -0.884 25642 3550 1 8 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.475 -1.605 25642 3551 1 8 . 1 1 82 82 GLU H H 82 9.270 9.270 8.216 1.054 25642 3552 1 8 . 1 1 83 83 GLY N N 83 114.070 114.070 113.058 1.012 25642 3553 1 8 . 1 1 83 83 GLY C C 83 171.310 171.310 172.320 -1.010 25642 3554 1 8 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.102 -0.152 25642 3555 1 8 . 1 1 83 83 GLY H H 83 8.450 8.450 7.889 0.561 25642 3556 1 8 . 1 1 84 84 SER N N 84 113.810 113.810 117.356 -3.546 25642 3557 1 8 . 1 1 84 84 SER C C 84 173.140 173.140 174.359 -1.219 25642 3558 1 8 . 1 1 84 84 SER CA C 84 57.720 57.720 57.352 0.368 25642 3559 1 8 . 1 1 84 84 SER CB C 84 64.950 64.950 64.577 0.373 25642 3560 1 8 . 1 1 84 84 SER H H 84 8.320 8.320 8.419 -0.099 25642 3561 1 8 . 1 1 85 85 VAL N N 85 121.060 121.060 124.601 -3.541 25642 3562 1 8 . 1 1 85 85 VAL C C 85 174.960 174.960 174.002 0.958 25642 3563 1 8 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.736 -1.316 25642 3564 1 8 . 1 1 85 85 VAL CB C 85 34.900 34.900 35.077 -0.177 25642 3565 1 8 . 1 1 85 85 VAL H H 85 8.730 8.730 7.907 0.823 25642 3566 1 8 . 1 1 86 86 TYR N N 86 129.090 129.090 124.789 4.301 25642 3567 1 8 . 1 1 86 86 TYR C C 86 174.420 174.420 174.718 -0.298 25642 3568 1 8 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.141 0.319 25642 3569 1 8 . 1 1 86 86 TYR CB C 86 40.850 40.850 42.142 -1.292 25642 3570 1 8 . 1 1 86 86 TYR H H 86 9.580 9.580 9.019 0.561 25642 3571 1 8 . 1 1 87 87 ALA N N 87 122.670 122.670 124.854 -2.184 25642 3572 1 8 . 1 1 87 87 ALA C C 87 177.320 177.320 175.364 1.956 25642 3573 1 8 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.608 -0.348 25642 3574 1 8 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.748 0.702 25642 3575 1 8 . 1 1 87 87 ALA H H 87 8.080 8.080 8.369 -0.289 25642 3576 1 8 . 1 1 88 88 GLU N N 88 120.180 120.180 119.123 1.057 25642 3577 1 8 . 1 1 88 88 GLU C C 88 177.310 177.310 176.052 1.258 25642 3578 1 8 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.430 0.760 25642 3579 1 8 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.127 -1.477 25642 3580 1 8 . 1 1 88 88 GLU H H 88 8.640 8.640 8.305 0.335 25642 3581 1 8 . 1 1 89 89 ALA N N 89 118.770 118.770 120.091 -1.321 25642 3582 1 8 . 1 1 89 89 ALA C C 89 175.890 175.890 175.142 0.748 25642 3583 1 8 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.595 0.915 25642 3584 1 8 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.459 -0.189 25642 3585 1 8 . 1 1 89 89 ALA H H 89 7.340 7.340 7.639 -0.299 25642 3586 1 8 . 1 1 90 90 VAL N N 90 119.720 119.720 122.914 -3.194 25642 3587 1 8 . 1 1 90 90 VAL C C 90 174.710 174.710 174.243 0.467 25642 3588 1 8 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.568 -1.048 25642 3589 1 8 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.173 0.817 25642 3590 1 8 . 1 1 90 90 VAL H H 90 8.490 8.490 8.083 0.407 25642 3591 1 8 . 1 1 91 91 GLU N N 91 128.200 128.200 128.284 -0.084 25642 3592 1 8 . 1 1 91 91 GLU C C 91 175.470 175.470 175.396 0.074 25642 3593 1 8 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.559 0.231 25642 3594 1 8 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.923 0.757 25642 3595 1 8 . 1 1 91 91 GLU H H 91 9.070 9.070 8.364 0.706 25642 3596 1 8 . 1 1 92 92 VAL N N 92 122.080 122.080 127.841 -5.761 25642 3597 1 8 . 1 1 92 92 VAL C C 92 174.490 174.490 175.311 -0.821 25642 3598 1 8 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.356 0.304 25642 3599 1 8 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.359 0.731 25642 3600 1 8 . 1 1 92 92 VAL H H 92 9.450 9.450 8.281 1.169 25642 3601 1 8 . 1 1 93 93 ARG N N 93 123.900 123.900 122.519 1.381 25642 3602 1 8 . 1 1 93 93 ARG C C 93 176.280 176.280 175.275 1.005 25642 3603 1 8 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.267 1.023 25642 3604 1 8 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.772 -0.882 25642 3605 1 8 . 1 1 93 93 ARG H H 93 9.200 9.200 8.180 1.020 25642 3606 1 8 . 1 1 94 94 GLY N N 94 111.100 111.100 106.511 4.589 25642 3607 1 8 . 1 1 94 94 GLY C C 94 170.710 170.710 172.273 -1.563 25642 3608 1 8 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.014 0.776 25642 3609 1 8 . 1 1 94 94 GLY H H 94 6.250 6.250 8.020 -1.770 25642 3610 1 8 . 1 1 95 95 ARG N N 95 126.190 126.190 119.797 6.393 25642 3611 1 8 . 1 1 95 95 ARG C C 95 175.570 175.570 174.382 1.188 25642 3612 1 8 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.816 -1.146 25642 3613 1 8 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.769 1.151 25642 3614 1 8 . 1 1 95 95 ARG H H 95 8.140 8.140 7.799 0.341 25642 3615 1 8 . 1 1 96 96 VAL N N 96 124.800 124.800 123.893 0.907 25642 3616 1 8 . 1 1 96 96 VAL C C 96 174.070 174.070 173.272 0.798 25642 3617 1 8 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.700 1.460 25642 3618 1 8 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.531 0.329 25642 3619 1 8 . 1 1 96 96 VAL H H 96 9.430 9.430 8.892 0.538 25642 3620 1 8 . 1 1 97 97 VAL N N 97 128.010 128.010 123.938 4.072 25642 3621 1 8 . 1 1 97 97 VAL C C 97 176.430 176.430 174.043 2.387 25642 3622 1 8 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.992 1.088 25642 3623 1 8 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.677 -0.047 25642 3624 1 8 . 1 1 97 97 VAL H H 97 9.260 9.260 8.741 0.519 25642 3625 1 8 . 1 1 98 98 GLY N N 98 116.340 116.340 114.901 1.439 25642 3626 1 8 . 1 1 98 98 GLY C C 98 171.770 171.770 172.071 -0.301 25642 3627 1 8 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.216 -0.326 25642 3628 1 8 . 1 1 98 98 GLY H H 98 8.600 8.600 8.227 0.373 25642 3629 1 8 . 1 1 99 99 ALA N N 99 124.110 124.110 123.639 0.471 25642 3630 1 8 . 1 1 99 99 ALA C C 99 176.060 176.060 174.812 1.248 25642 3631 1 8 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.708 -0.018 25642 3632 1 8 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.070 -0.370 25642 3633 1 8 . 1 1 99 99 ALA H H 99 8.110 8.110 7.678 0.432 25642 3634 1 8 . 1 1 100 100 ILE N N 100 119.340 119.340 117.041 2.299 25642 3635 1 8 . 1 1 100 100 ILE C C 100 174.770 174.770 173.523 1.247 25642 3636 1 8 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.465 1.155 25642 3637 1 8 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.935 0.385 25642 3638 1 8 . 1 1 100 100 ILE H H 100 8.910 8.910 8.167 0.743 25642 3639 1 8 . 1 1 101 101 THR N N 101 127.010 127.010 121.654 5.356 25642 3640 1 8 . 1 1 101 101 THR C C 101 173.980 173.980 173.918 0.062 25642 3641 1 8 . 1 1 101 101 THR CA C 101 61.620 61.620 61.483 0.137 25642 3642 1 8 . 1 1 101 101 THR CB C 101 69.700 69.700 70.984 -1.284 25642 3643 1 8 . 1 1 101 101 THR H H 101 8.950 8.950 8.545 0.405 25642 3644 1 8 . 1 1 102 102 SER N N 102 119.870 119.870 121.363 -1.493 25642 3645 1 8 . 1 1 102 102 SER C C 102 174.000 174.000 173.420 0.580 25642 3646 1 8 . 1 1 102 102 SER CA C 102 56.190 56.190 57.733 -1.543 25642 3647 1 8 . 1 1 102 102 SER CB C 102 64.710 64.710 67.096 -2.386 25642 3648 1 8 . 1 1 102 102 SER H H 102 8.800 8.800 8.416 0.384 25642 3649 1 8 . 1 1 103 103 LYS N N 103 124.650 124.650 121.325 3.325 25642 3650 1 8 . 1 1 103 103 LYS C C 103 177.200 177.200 176.560 0.640 25642 3651 1 8 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.140 4.160 25642 3652 1 8 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.632 -1.122 25642 3653 1 8 . 1 1 103 103 LYS H H 103 7.560 7.560 8.500 -0.940 25642 3654 1 8 . 1 1 104 104 GLN N N 104 115.370 115.370 117.933 -2.563 25642 3655 1 8 . 1 1 104 104 GLN C C 104 174.650 174.650 174.326 0.324 25642 3656 1 8 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.344 0.516 25642 3657 1 8 . 1 1 104 104 GLN CB C 104 31.880 31.880 31.792 0.088 25642 3658 1 8 . 1 1 104 104 GLN H H 104 7.650 7.650 7.792 -0.142 25642 3659 1 8 . 1 1 105 105 VAL N N 105 125.510 125.510 126.094 -0.584 25642 3660 1 8 . 1 1 105 105 VAL C C 105 174.530 174.530 174.231 0.299 25642 3661 1 8 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.200 -0.280 25642 3662 1 8 . 1 1 105 105 VAL CB C 105 35.000 35.000 34.614 0.386 25642 3663 1 8 . 1 1 105 105 VAL H H 105 8.670 8.670 8.224 0.446 25642 3664 1 8 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.041 1.009 25642 3665 1 8 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.940 0.800 25642 3666 1 8 . 1 1 106 106 ARG H H 106 8.560 8.560 8.672 -0.112 25642 3667 1 8 . 1 1 107 107 LEU N N 107 125.820 125.820 126.684 -0.864 25642 3668 1 8 . 1 1 107 107 LEU C C 107 176.190 176.190 175.510 0.680 25642 3669 1 8 . 1 1 107 107 LEU CA C 107 53.570 53.570 53.040 0.530 25642 3670 1 8 . 1 1 107 107 LEU CB C 107 41.130 41.130 39.572 1.558 25642 3671 1 8 . 1 1 107 107 LEU H H 107 8.730 8.730 8.020 0.710 25642 3672 1 8 . 1 1 108 108 TYR N N 108 120.870 120.870 123.667 -2.797 25642 3673 1 8 . 1 1 108 108 TYR C C 108 178.880 178.880 177.225 1.655 25642 3674 1 8 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.356 1.174 25642 3675 1 8 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.392 -0.612 25642 3676 1 8 . 1 1 108 108 TYR H H 108 8.280 8.280 7.784 0.496 25642 3677 1 8 . 1 1 109 109 GLY N N 109 112.380 112.380 110.497 1.883 25642 3678 1 8 . 1 1 109 109 GLY C C 109 172.330 172.330 175.643 -3.313 25642 3679 1 8 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.559 1.721 25642 3680 1 8 . 1 1 109 109 GLY H H 109 10.080 10.080 8.831 1.249 25642 3681 1 8 . 1 1 110 110 THR N N 110 103.280 103.280 115.743 -12.463 25642 3682 1 8 . 1 1 110 110 THR C C 110 175.370 175.370 174.980 0.390 25642 3683 1 8 . 1 1 110 110 THR CA C 110 61.220 61.220 62.099 -0.879 25642 3684 1 8 . 1 1 110 110 THR CB C 110 70.160 70.160 67.345 2.815 25642 3685 1 8 . 1 1 110 110 THR H H 110 6.910 6.910 8.570 -1.660 25642 3686 1 8 . 1 1 111 111 SER N N 111 118.040 118.040 116.899 1.141 25642 3687 1 8 . 1 1 111 111 SER C C 111 174.740 174.740 173.603 1.137 25642 3688 1 8 . 1 1 111 111 SER CA C 111 59.070 59.070 59.697 -0.627 25642 3689 1 8 . 1 1 111 111 SER CB C 111 67.870 67.870 63.979 3.891 25642 3690 1 8 . 1 1 111 111 SER H H 111 7.960 7.960 8.080 -0.120 25642 3691 1 8 . 1 1 112 112 TYR N N 112 124.220 124.220 124.678 -0.458 25642 3692 1 8 . 1 1 112 112 TYR C C 112 174.090 174.090 173.537 0.553 25642 3693 1 8 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.256 0.154 25642 3694 1 8 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.102 -0.413 25642 3695 1 8 . 1 1 112 112 TYR H H 112 8.720 8.720 8.051 0.669 25642 3696 1 8 . 1 1 113 113 VAL N N 113 129.090 129.090 128.262 0.828 25642 3697 1 8 . 1 1 113 113 VAL C C 113 173.870 173.870 173.771 0.099 25642 3698 1 8 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.471 0.569 25642 3699 1 8 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.108 0.821 25642 3700 1 8 . 1 1 113 113 VAL H H 113 9.640 9.640 7.669 1.971 25642 3701 1 8 . 1 1 114 114 ASP N N 114 127.460 127.460 125.839 1.621 25642 3702 1 8 . 1 1 114 114 ASP C C 114 176.250 176.250 175.345 0.905 25642 3703 1 8 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.580 -1.110 25642 3704 1 8 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.944 0.276 25642 3705 1 8 . 1 1 114 114 ASP H H 114 8.630 8.630 7.909 0.721 25642 3706 1 8 . 1 1 115 115 GLY N N 115 113.040 113.040 111.447 1.593 25642 3707 1 8 . 1 1 115 115 GLY C C 115 171.140 171.140 172.480 -1.340 25642 3708 1 8 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.892 0.258 25642 3709 1 8 . 1 1 115 115 GLY H H 115 8.880 8.880 7.893 0.987 25642 3710 1 8 . 1 1 116 116 ASP N N 116 117.450 117.450 122.787 -5.337 25642 3711 1 8 . 1 1 116 116 ASP C C 116 176.850 176.850 175.106 1.744 25642 3712 1 8 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.430 -0.070 25642 3713 1 8 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.428 0.942 25642 3714 1 8 . 1 1 116 116 ASP H H 116 7.390 7.390 8.049 -0.659 25642 3715 1 8 . 1 1 117 117 ILE N N 117 121.440 121.440 127.208 -5.768 25642 3716 1 8 . 1 1 117 117 ILE C C 117 176.780 176.780 173.498 3.282 25642 3717 1 8 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.506 1.214 25642 3718 1 8 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.008 -2.378 25642 3719 1 8 . 1 1 117 117 ILE H H 117 9.200 9.200 7.954 1.246 25642 3720 1 8 . 1 1 118 118 THR N N 118 131.550 131.550 126.059 5.491 25642 3721 1 8 . 1 1 118 118 THR C C 118 173.630 173.630 173.153 0.477 25642 3722 1 8 . 1 1 118 118 THR CA C 118 62.110 62.110 60.810 1.300 25642 3723 1 8 . 1 1 118 118 THR CB C 118 67.860 67.860 70.438 -2.578 25642 3724 1 8 . 1 1 118 118 THR H H 118 9.560 9.560 8.619 0.941 25642 3725 1 8 . 1 1 119 119 HIS N N 119 121.300 121.300 122.894 -1.594 25642 3726 1 8 . 1 1 119 119 HIS C C 119 174.780 174.780 174.117 0.663 25642 3727 1 8 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.241 1.609 25642 3728 1 8 . 1 1 119 119 HIS CB C 119 32.550 32.550 30.803 1.747 25642 3729 1 8 . 1 1 119 119 HIS H H 119 8.290 8.290 8.324 -0.034 25642 3730 1 8 . 1 1 120 120 GLU N N 120 118.130 118.130 120.105 -1.975 25642 3731 1 8 . 1 1 120 120 GLU C C 120 177.120 177.120 176.861 0.259 25642 3732 1 8 . 1 1 120 120 GLU CA C 120 58.780 58.780 58.343 0.437 25642 3733 1 8 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.925 -0.625 25642 3734 1 8 . 1 1 120 120 GLU H H 120 7.710 7.710 8.674 -0.964 25642 3735 1 8 . 1 1 121 121 GLN N N 121 117.670 117.670 117.091 0.579 25642 3736 1 8 . 1 1 121 121 GLN C C 121 172.760 172.760 174.310 -1.550 25642 3737 1 8 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.537 1.343 25642 3738 1 8 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.189 1.391 25642 3739 1 8 . 1 1 121 121 GLN H H 121 8.950 8.950 7.757 1.193 25642 3740 1 8 . 1 1 122 122 LEU N N 122 126.250 126.250 117.948 8.302 25642 3741 1 8 . 1 1 122 122 LEU C C 122 173.300 173.300 175.191 -1.891 25642 3742 1 8 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.259 0.561 25642 3743 1 8 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.672 -0.222 25642 3744 1 8 . 1 1 122 122 LEU H H 122 8.660 8.660 8.311 0.349 25642 3745 1 8 . 1 1 123 123 ALA N N 123 126.670 126.670 125.558 1.112 25642 3746 1 8 . 1 1 123 123 ALA C C 123 175.940 175.940 175.771 0.169 25642 3747 1 8 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.457 -1.887 25642 3748 1 8 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.944 0.406 25642 3749 1 8 . 1 1 123 123 ALA H H 123 8.090 8.090 8.899 -0.809 25642 3750 1 8 . 1 1 124 124 MET N N 124 119.800 119.800 120.753 -0.953 25642 3751 1 8 . 1 1 124 124 MET C C 124 174.960 174.960 175.233 -0.273 25642 3752 1 8 . 1 1 124 124 MET CA C 124 54.770 54.770 52.556 2.214 25642 3753 1 8 . 1 1 124 124 MET CB C 124 37.620 37.620 32.790 4.830 25642 3754 1 8 . 1 1 124 124 MET H H 124 8.810 8.810 8.483 0.327 25642 3755 1 8 . 1 1 125 125 GLU N N 125 125.500 125.500 122.856 2.644 25642 3756 1 8 . 1 1 125 125 GLU C C 125 175.410 175.410 175.754 -0.344 25642 3757 1 8 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.927 0.743 25642 3758 1 8 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.569 -0.059 25642 3759 1 8 . 1 1 125 125 GLU H H 125 8.760 8.760 8.281 0.479 25642 3760 1 8 . 1 1 126 126 THR N N 126 118.440 118.440 114.714 3.726 25642 3761 1 8 . 1 1 126 126 THR C C 126 174.300 174.300 175.507 -1.207 25642 3762 1 8 . 1 1 126 126 THR CA C 126 65.870 65.870 64.697 1.173 25642 3763 1 8 . 1 1 126 126 THR CB C 126 69.050 69.050 69.297 -0.247 25642 3764 1 8 . 1 1 127 127 GLY N N 127 116.970 116.970 113.095 3.875 25642 3765 1 8 . 1 1 127 127 GLY C C 127 175.320 175.320 173.021 2.299 25642 3766 1 8 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.461 -0.461 25642 3767 1 8 . 1 1 128 128 ALA N N 128 124.190 124.190 123.257 0.933 25642 3768 1 8 . 1 1 128 128 ALA C C 128 177.670 177.670 176.093 1.577 25642 3769 1 8 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.227 2.413 25642 3770 1 8 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.938 -0.188 25642 3771 1 8 . 1 1 128 128 ALA H H 128 7.930 7.930 7.251 0.679 25642 3772 1 8 . 1 1 129 129 PHE N N 129 127.300 127.300 126.465 0.835 25642 3773 1 8 . 1 1 129 129 PHE C C 129 173.400 173.400 173.605 -0.205 25642 3774 1 8 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.939 -0.049 25642 3775 1 8 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.737 -1.217 25642 3776 1 8 . 1 1 129 129 PHE H H 129 8.550 8.550 8.762 -0.212 25642 3777 1 8 . 1 1 130 130 PHE N N 130 131.220 131.220 120.632 10.588 25642 3778 1 8 . 1 1 130 130 PHE C C 130 173.550 173.550 174.548 -0.998 25642 3779 1 8 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.663 -2.292 25642 3780 1 8 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.800 -0.340 25642 3781 1 8 . 1 1 130 130 PHE H H 130 8.860 8.860 7.813 1.047 25642 3782 1 8 . 1 1 131 131 GLN N N 131 130.230 130.230 123.599 6.631 25642 3783 1 8 . 1 1 131 131 GLN C C 131 173.350 173.350 175.131 -1.781 25642 3784 1 8 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.809 -1.389 25642 3785 1 8 . 1 1 131 131 GLN CB C 131 33.000 33.000 29.746 3.254 25642 3786 1 8 . 1 1 131 131 GLN H H 131 8.840 8.840 8.295 0.545 25642 3787 1 8 . 1 1 132 132 GLY N N 132 112.460 112.460 108.454 4.006 25642 3788 1 8 . 1 1 132 132 GLY C C 132 172.750 172.750 172.985 -0.235 25642 3789 1 8 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.118 -0.648 25642 3790 1 8 . 1 1 133 133 ARG N N 133 119.950 119.950 120.738 -0.788 25642 3791 1 8 . 1 1 133 133 ARG C C 133 173.910 173.910 175.966 -2.056 25642 3792 1 8 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.508 0.362 25642 3793 1 8 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.242 1.948 25642 3794 1 8 . 1 1 133 133 ARG H H 133 8.470 8.470 8.169 0.301 25642 3795 1 8 . 1 1 134 134 SER N N 134 119.120 119.120 120.030 -0.910 25642 3796 1 8 . 1 1 134 134 SER C C 134 174.260 174.260 174.007 0.253 25642 3797 1 8 . 1 1 134 134 SER CA C 134 57.140 57.140 57.532 -0.392 25642 3798 1 8 . 1 1 134 134 SER CB C 134 63.450 63.450 63.970 -0.520 25642 3799 1 8 . 1 1 134 134 SER H H 134 8.680 8.680 8.604 0.076 25642 3800 1 8 . 1 1 135 135 LEU N N 135 127.740 127.740 128.452 -0.712 25642 3801 1 8 . 1 1 135 135 LEU C C 135 174.990 174.990 175.344 -0.354 25642 3802 1 8 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.115 -0.895 25642 3803 1 8 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.181 2.999 25642 3804 1 8 . 1 1 135 135 LEU H H 135 8.560 8.560 8.208 0.352 25642 3805 1 8 . 1 1 136 136 LYS N N 136 118.190 118.190 122.451 -4.261 25642 3806 1 8 . 1 1 136 136 LYS C C 136 178.030 178.030 176.021 2.009 25642 3807 1 8 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.462 -2.402 25642 3808 1 8 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.450 -1.440 25642 3809 1 8 . 1 1 136 136 LYS H H 136 8.180 8.180 8.167 0.013 25642 3810 1 8 . 1 1 137 137 PHE N N 137 121.570 121.570 124.824 -3.254 25642 3811 1 8 . 1 1 137 137 PHE C C 137 176.370 176.370 175.208 1.162 25642 3812 1 8 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.773 1.167 25642 3813 1 8 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.450 0.280 25642 3814 1 8 . 1 1 137 137 PHE H H 137 7.800 7.800 8.214 -0.414 25642 3815 1 8 . 1 1 138 138 GLN N N 138 123.070 123.070 121.517 1.553 25642 3816 1 8 . 1 1 138 138 GLN H H 138 8.560 8.560 8.832 -0.272 25642 3817 1 9 . 1 1 38 38 VAL C C 38 175.900 175.900 174.458 1.442 25642 3818 1 9 . 1 1 39 39 ALA N N 39 130.020 130.020 129.176 0.844 25642 3819 1 9 . 1 1 39 39 ALA C C 39 177.440 177.440 176.698 0.742 25642 3820 1 9 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.133 1.247 25642 3821 1 9 . 1 1 39 39 ALA CB C 39 19.820 19.820 21.837 -2.018 25642 3822 1 9 . 1 1 39 39 ALA H H 39 8.200 8.200 8.280 -0.080 25642 3823 1 9 . 1 1 40 40 SER N N 40 115.080 115.080 119.096 -4.016 25642 3824 1 9 . 1 1 40 40 SER C C 40 173.460 173.460 172.985 0.475 25642 3825 1 9 . 1 1 40 40 SER CA C 40 60.040 60.040 57.247 2.793 25642 3826 1 9 . 1 1 40 40 SER CB C 40 66.420 66.420 65.234 1.185 25642 3827 1 9 . 1 1 40 40 SER H H 40 7.970 7.970 8.338 -0.368 25642 3828 1 9 . 1 1 41 41 LEU N N 41 127.860 127.860 125.723 2.137 25642 3829 1 9 . 1 1 41 41 LEU C C 41 174.130 174.130 175.563 -1.433 25642 3830 1 9 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.811 0.849 25642 3831 1 9 . 1 1 41 41 LEU CB C 41 46.300 46.300 42.863 3.437 25642 3832 1 9 . 1 1 41 41 LEU H H 41 9.490 9.490 8.626 0.864 25642 3833 1 9 . 1 1 42 42 LEU N N 42 126.730 126.730 128.503 -1.773 25642 3834 1 9 . 1 1 42 42 LEU C C 42 175.120 175.120 176.179 -1.059 25642 3835 1 9 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.373 -0.663 25642 3836 1 9 . 1 1 42 42 LEU CB C 42 41.460 41.460 41.391 0.069 25642 3837 1 9 . 1 1 42 42 LEU H H 42 8.640 8.640 9.009 -0.369 25642 3838 1 9 . 1 1 43 43 SER N N 43 123.530 123.530 120.095 3.435 25642 3839 1 9 . 1 1 43 43 SER C C 43 172.810 172.810 174.743 -1.933 25642 3840 1 9 . 1 1 43 43 SER CA C 43 58.990 58.990 59.852 -0.862 25642 3841 1 9 . 1 1 43 43 SER CB C 43 64.200 64.200 63.940 0.260 25642 3842 1 9 . 1 1 43 43 SER H H 43 9.060 9.060 8.665 0.395 25642 3843 1 9 . 1 1 44 44 ALA N N 44 119.250 119.250 121.684 -2.434 25642 3844 1 9 . 1 1 44 44 ALA C C 44 177.720 177.720 177.677 0.043 25642 3845 1 9 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.983 0.017 25642 3846 1 9 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.880 -0.150 25642 3847 1 9 . 1 1 44 44 ALA H H 44 8.490 8.490 8.620 -0.130 25642 3848 1 9 . 1 1 45 45 ASP N N 45 114.450 114.450 117.271 -2.821 25642 3849 1 9 . 1 1 45 45 ASP C C 45 175.800 175.800 175.240 0.560 25642 3850 1 9 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.781 -0.801 25642 3851 1 9 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.696 1.984 25642 3852 1 9 . 1 1 45 45 ASP H H 45 8.080 8.080 8.392 -0.312 25642 3853 1 9 . 1 1 46 46 LEU N N 46 122.200 122.200 120.955 1.245 25642 3854 1 9 . 1 1 46 46 LEU C C 46 176.290 176.290 175.733 0.557 25642 3855 1 9 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.349 0.271 25642 3856 1 9 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.606 2.354 25642 3857 1 9 . 1 1 46 46 LEU H H 46 7.860 7.860 7.253 0.607 25642 3858 1 9 . 1 1 47 47 THR N N 47 119.850 119.850 114.011 5.839 25642 3859 1 9 . 1 1 47 47 THR C C 47 174.140 174.140 174.157 -0.017 25642 3860 1 9 . 1 1 47 47 THR CA C 47 61.650 61.650 60.018 1.632 25642 3861 1 9 . 1 1 47 47 THR CB C 47 71.210 71.210 70.765 0.445 25642 3862 1 9 . 1 1 47 47 THR H H 47 9.000 9.000 8.301 0.699 25642 3863 1 9 . 1 1 48 48 ILE N N 48 128.090 128.090 126.214 1.876 25642 3864 1 9 . 1 1 48 48 ILE C C 48 174.810 174.810 175.492 -0.682 25642 3865 1 9 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.955 -0.805 25642 3866 1 9 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.018 2.092 25642 3867 1 9 . 1 1 48 48 ILE H H 48 9.330 9.330 8.325 1.005 25642 3868 1 9 . 1 1 49 49 GLU N N 49 129.080 129.080 124.549 4.531 25642 3869 1 9 . 1 1 49 49 GLU C C 49 175.160 175.160 177.317 -2.157 25642 3870 1 9 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.489 -0.989 25642 3871 1 9 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.303 -2.943 25642 3872 1 9 . 1 1 49 49 GLU H H 49 8.830 8.830 8.521 0.309 25642 3873 1 9 . 1 1 50 50 GLY N N 50 114.250 114.250 114.672 -0.422 25642 3874 1 9 . 1 1 50 50 GLY C C 50 170.510 170.510 173.792 -3.282 25642 3875 1 9 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.490 -0.430 25642 3876 1 9 . 1 1 50 50 GLY H H 50 8.320 8.320 8.819 -0.499 25642 3877 1 9 . 1 1 51 51 GLY N N 51 102.740 102.740 109.115 -6.375 25642 3878 1 9 . 1 1 51 51 GLY C C 51 174.230 174.230 172.912 1.318 25642 3879 1 9 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.092 -0.211 25642 3880 1 9 . 1 1 51 51 GLY H H 51 8.000 8.000 7.784 0.216 25642 3881 1 9 . 1 1 52 52 VAL N N 52 122.770 122.770 118.823 3.947 25642 3882 1 9 . 1 1 52 52 VAL C C 52 175.290 175.290 175.186 0.104 25642 3883 1 9 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.736 1.435 25642 3884 1 9 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.725 0.225 25642 3885 1 9 . 1 1 52 52 VAL H H 52 8.550 8.550 7.906 0.644 25642 3886 1 9 . 1 1 53 53 THR N N 53 121.860 121.860 115.625 6.235 25642 3887 1 9 . 1 1 53 53 THR C C 53 173.790 173.790 174.733 -0.943 25642 3888 1 9 . 1 1 53 53 THR CA C 53 60.580 60.580 59.879 0.701 25642 3889 1 9 . 1 1 53 53 THR CB C 53 72.310 72.310 70.504 1.806 25642 3890 1 9 . 1 1 53 53 THR H H 53 9.150 9.150 8.210 0.940 25642 3891 1 9 . 1 1 54 54 GLY N N 54 112.960 112.960 110.119 2.841 25642 3892 1 9 . 1 1 54 54 GLY C C 54 172.530 172.530 172.108 0.422 25642 3893 1 9 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.719 0.151 25642 3894 1 9 . 1 1 54 54 GLY H H 54 9.080 9.080 7.990 1.090 25642 3895 1 9 . 1 1 55 55 GLU N N 55 118.200 118.200 118.230 -0.030 25642 3896 1 9 . 1 1 55 55 GLU C C 55 177.350 177.350 174.773 2.577 25642 3897 1 9 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.734 0.366 25642 3898 1 9 . 1 1 55 55 GLU CB C 55 31.140 31.140 31.974 -0.834 25642 3899 1 9 . 1 1 55 55 GLU H H 55 8.790 8.790 8.364 0.426 25642 3900 1 9 . 1 1 56 56 GLY N N 56 109.740 109.740 109.509 0.231 25642 3901 1 9 . 1 1 56 56 GLY C C 56 173.400 173.400 173.192 0.208 25642 3902 1 9 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.592 0.098 25642 3903 1 9 . 1 1 56 56 GLY H H 56 8.580 8.580 8.462 0.118 25642 3904 1 9 . 1 1 57 57 GLU N N 57 122.180 122.180 121.809 0.371 25642 3905 1 9 . 1 1 57 57 GLU C C 57 175.970 175.970 174.794 1.176 25642 3906 1 9 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.853 -0.753 25642 3907 1 9 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.309 0.461 25642 3908 1 9 . 1 1 57 57 GLU H H 57 8.810 8.810 8.220 0.590 25642 3909 1 9 . 1 1 58 58 LEU N N 58 126.040 126.040 128.783 -2.743 25642 3910 1 9 . 1 1 58 58 LEU C C 58 173.100 173.100 174.191 -1.091 25642 3911 1 9 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.747 -0.067 25642 3912 1 9 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.287 2.153 25642 3913 1 9 . 1 1 58 58 LEU H H 58 8.720 8.720 8.669 0.051 25642 3914 1 9 . 1 1 59 59 GLN N N 59 127.940 127.940 128.544 -0.604 25642 3915 1 9 . 1 1 59 59 GLN C C 59 174.540 174.540 174.144 0.396 25642 3916 1 9 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.313 -0.473 25642 3917 1 9 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.765 0.025 25642 3918 1 9 . 1 1 59 59 GLN H H 59 8.400 8.400 8.342 0.058 25642 3919 1 9 . 1 1 60 60 ILE N N 60 124.610 124.610 127.046 -2.436 25642 3920 1 9 . 1 1 60 60 ILE C C 60 174.340 174.340 173.089 1.251 25642 3921 1 9 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.871 2.459 25642 3922 1 9 . 1 1 60 60 ILE CB C 60 40.750 40.750 42.098 -1.348 25642 3923 1 9 . 1 1 60 60 ILE H H 60 9.100 9.100 8.345 0.755 25642 3924 1 9 . 1 1 61 61 ASP N N 61 127.350 127.350 125.682 1.668 25642 3925 1 9 . 1 1 61 61 ASP C C 61 176.210 176.210 174.624 1.586 25642 3926 1 9 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.705 1.195 25642 3927 1 9 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.078 1.402 25642 3928 1 9 . 1 1 61 61 ASP H H 61 9.070 9.070 8.253 0.817 25642 3929 1 9 . 1 1 62 62 GLY N N 62 110.340 110.340 106.896 3.444 25642 3930 1 9 . 1 1 62 62 GLY C C 62 170.870 170.870 172.555 -1.685 25642 3931 1 9 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.131 1.359 25642 3932 1 9 . 1 1 62 62 GLY H H 62 6.590 6.590 7.678 -1.088 25642 3933 1 9 . 1 1 63 63 VAL N N 63 122.570 122.570 119.527 3.043 25642 3934 1 9 . 1 1 63 63 VAL C C 63 176.030 176.030 175.009 1.021 25642 3935 1 9 . 1 1 63 63 VAL CA C 63 61.010 61.010 61.881 -0.871 25642 3936 1 9 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.542 2.308 25642 3937 1 9 . 1 1 63 63 VAL H H 63 8.070 8.070 7.751 0.319 25642 3938 1 9 . 1 1 64 64 VAL N N 64 125.470 125.470 129.785 -4.315 25642 3939 1 9 . 1 1 64 64 VAL C C 64 174.410 174.410 173.969 0.441 25642 3940 1 9 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.569 -0.349 25642 3941 1 9 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.273 3.417 25642 3942 1 9 . 1 1 64 64 VAL H H 64 9.010 9.010 8.357 0.653 25642 3943 1 9 . 1 1 65 65 LYS N N 65 129.120 129.120 129.009 0.111 25642 3944 1 9 . 1 1 65 65 LYS C C 65 175.120 175.120 175.427 -0.307 25642 3945 1 9 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.760 -0.450 25642 3946 1 9 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.495 -2.055 25642 3947 1 9 . 1 1 65 65 LYS H H 65 9.150 9.150 8.098 1.052 25642 3948 1 9 . 1 1 66 66 GLY N N 66 115.020 115.020 112.935 2.085 25642 3949 1 9 . 1 1 66 66 GLY C C 66 170.210 170.210 172.517 -2.307 25642 3950 1 9 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.720 -0.240 25642 3951 1 9 . 1 1 66 66 GLY H H 66 8.300 8.300 8.030 0.270 25642 3952 1 9 . 1 1 67 67 ASP N N 67 115.420 115.420 122.802 -7.382 25642 3953 1 9 . 1 1 67 67 ASP C C 67 176.920 176.920 175.800 1.120 25642 3954 1 9 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.867 -0.537 25642 3955 1 9 . 1 1 67 67 ASP CB C 67 41.950 41.950 41.752 0.198 25642 3956 1 9 . 1 1 67 67 ASP H H 67 7.690 7.690 8.297 -0.607 25642 3957 1 9 . 1 1 68 68 VAL N N 68 122.440 122.440 125.777 -3.337 25642 3958 1 9 . 1 1 68 68 VAL C C 68 174.450 174.450 174.376 0.074 25642 3959 1 9 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.062 -0.092 25642 3960 1 9 . 1 1 68 68 VAL CB C 68 35.240 35.240 34.228 1.012 25642 3961 1 9 . 1 1 68 68 VAL H H 68 8.930 8.930 8.044 0.886 25642 3962 1 9 . 1 1 69 69 ARG N N 69 130.610 130.610 127.355 3.255 25642 3963 1 9 . 1 1 69 69 ARG C C 69 175.150 175.150 174.204 0.946 25642 3964 1 9 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.196 0.624 25642 3965 1 9 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.504 -1.504 25642 3966 1 9 . 1 1 69 69 ARG H H 69 9.110 9.110 8.398 0.712 25642 3967 1 9 . 1 1 70 70 VAL N N 70 114.530 114.530 123.500 -8.970 25642 3968 1 9 . 1 1 70 70 VAL C C 70 175.440 175.440 174.288 1.152 25642 3969 1 9 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.147 -1.747 25642 3970 1 9 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.038 0.331 25642 3971 1 9 . 1 1 70 70 VAL H H 70 8.290 8.290 7.736 0.554 25642 3972 1 9 . 1 1 71 71 GLY N N 71 108.150 108.150 109.840 -1.690 25642 3973 1 9 . 1 1 71 71 GLY C C 71 174.710 174.710 173.916 0.794 25642 3974 1 9 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.637 1.263 25642 3975 1 9 . 1 1 71 71 GLY H H 71 8.110 8.110 8.681 -0.571 25642 3976 1 9 . 1 1 72 72 ARG N N 72 120.660 120.660 120.127 0.533 25642 3977 1 9 . 1 1 72 72 ARG C C 72 173.620 173.620 174.261 -0.641 25642 3978 1 9 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.504 0.816 25642 3979 1 9 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.296 1.484 25642 3980 1 9 . 1 1 72 72 ARG H H 72 7.690 7.690 8.076 -0.386 25642 3981 1 9 . 1 1 73 73 LEU N N 73 125.710 125.710 128.577 -2.867 25642 3982 1 9 . 1 1 73 73 LEU C C 73 175.230 175.230 175.070 0.160 25642 3983 1 9 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.716 -1.166 25642 3984 1 9 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.807 1.723 25642 3985 1 9 . 1 1 73 73 LEU H H 73 8.570 8.570 8.877 -0.307 25642 3986 1 9 . 1 1 74 74 THR N N 74 123.150 123.150 120.146 3.004 25642 3987 1 9 . 1 1 74 74 THR C C 74 173.670 173.670 174.266 -0.596 25642 3988 1 9 . 1 1 74 74 THR CA C 74 61.480 61.480 60.059 1.421 25642 3989 1 9 . 1 1 74 74 THR CB C 74 70.710 70.710 69.780 0.930 25642 3990 1 9 . 1 1 74 74 THR H H 74 8.860 8.860 8.755 0.105 25642 3991 1 9 . 1 1 75 75 VAL N N 75 127.890 127.890 126.912 0.978 25642 3992 1 9 . 1 1 75 75 VAL C C 75 176.800 176.800 176.824 -0.024 25642 3993 1 9 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.751 -1.621 25642 3994 1 9 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.718 2.122 25642 3995 1 9 . 1 1 75 75 VAL H H 75 8.910 8.910 7.982 0.928 25642 3996 1 9 . 1 1 76 76 GLY N N 76 116.590 116.590 114.731 1.859 25642 3997 1 9 . 1 1 76 76 GLY C C 76 174.060 174.060 174.549 -0.489 25642 3998 1 9 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.398 -0.168 25642 3999 1 9 . 1 1 76 76 GLY H H 76 8.980 8.980 8.732 0.248 25642 4000 1 9 . 1 1 77 77 GLU N N 77 121.140 121.140 117.925 3.215 25642 4001 1 9 . 1 1 77 77 GLU C C 77 178.620 178.620 178.572 0.048 25642 4002 1 9 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.960 1.540 25642 4003 1 9 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.395 0.725 25642 4004 1 9 . 1 1 77 77 GLU H H 77 9.260 9.260 8.702 0.558 25642 4005 1 9 . 1 1 78 78 THR N N 78 105.330 105.330 110.716 -5.386 25642 4006 1 9 . 1 1 78 78 THR C C 78 174.990 174.990 175.749 -0.759 25642 4007 1 9 . 1 1 78 78 THR CA C 78 62.040 62.040 63.349 -1.309 25642 4008 1 9 . 1 1 78 78 THR CB C 78 69.880 69.880 68.709 1.171 25642 4009 1 9 . 1 1 78 78 THR H H 78 8.010 8.010 7.927 0.083 25642 4010 1 9 . 1 1 79 79 GLY N N 79 111.420 111.420 111.003 0.417 25642 4011 1 9 . 1 1 79 79 GLY C C 79 174.270 174.270 174.049 0.221 25642 4012 1 9 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.896 -0.646 25642 4013 1 9 . 1 1 79 79 GLY H H 79 8.240 8.240 8.457 -0.217 25642 4014 1 9 . 1 1 80 80 HIS N N 80 123.970 123.970 118.374 5.596 25642 4015 1 9 . 1 1 80 80 HIS C C 80 173.800 173.800 173.825 -0.025 25642 4016 1 9 . 1 1 80 80 HIS CA C 80 54.860 54.860 56.016 -1.156 25642 4017 1 9 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.391 3.679 25642 4018 1 9 . 1 1 80 80 HIS H H 80 8.860 8.860 7.629 1.231 25642 4019 1 9 . 1 1 81 81 VAL N N 81 125.720 125.720 125.524 0.196 25642 4020 1 9 . 1 1 81 81 VAL C C 81 174.580 174.580 173.476 1.104 25642 4021 1 9 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.286 -1.626 25642 4022 1 9 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.922 -0.062 25642 4023 1 9 . 1 1 81 81 VAL H H 81 8.900 8.900 8.318 0.582 25642 4024 1 9 . 1 1 82 82 GLU N N 82 129.500 129.500 128.117 1.383 25642 4025 1 9 . 1 1 82 82 GLU C C 82 175.200 175.200 175.329 -0.129 25642 4026 1 9 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.718 -0.818 25642 4027 1 9 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.577 -1.707 25642 4028 1 9 . 1 1 82 82 GLU H H 82 9.270 9.270 8.763 0.507 25642 4029 1 9 . 1 1 83 83 GLY N N 83 114.070 114.070 113.426 0.644 25642 4030 1 9 . 1 1 83 83 GLY C C 83 171.310 171.310 172.159 -0.849 25642 4031 1 9 . 1 1 83 83 GLY CA C 83 44.950 44.950 44.979 -0.029 25642 4032 1 9 . 1 1 83 83 GLY H H 83 8.450 8.450 7.810 0.640 25642 4033 1 9 . 1 1 84 84 SER N N 84 113.810 113.810 117.773 -3.963 25642 4034 1 9 . 1 1 84 84 SER C C 84 173.140 173.140 173.737 -0.597 25642 4035 1 9 . 1 1 84 84 SER CA C 84 57.720 57.720 58.827 -1.107 25642 4036 1 9 . 1 1 84 84 SER CB C 84 64.950 64.950 64.224 0.726 25642 4037 1 9 . 1 1 84 84 SER H H 84 8.320 8.320 8.092 0.228 25642 4038 1 9 . 1 1 85 85 VAL N N 85 121.060 121.060 123.721 -2.661 25642 4039 1 9 . 1 1 85 85 VAL C C 85 174.960 174.960 173.975 0.985 25642 4040 1 9 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.132 -0.712 25642 4041 1 9 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.967 0.933 25642 4042 1 9 . 1 1 85 85 VAL H H 85 8.730 8.730 7.896 0.834 25642 4043 1 9 . 1 1 86 86 TYR N N 86 129.090 129.090 124.870 4.220 25642 4044 1 9 . 1 1 86 86 TYR C C 86 174.420 174.420 174.246 0.174 25642 4045 1 9 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.385 0.075 25642 4046 1 9 . 1 1 86 86 TYR CB C 86 40.850 40.850 42.256 -1.406 25642 4047 1 9 . 1 1 86 86 TYR H H 86 9.580 9.580 8.693 0.887 25642 4048 1 9 . 1 1 87 87 ALA N N 87 122.670 122.670 125.436 -2.766 25642 4049 1 9 . 1 1 87 87 ALA C C 87 177.320 177.320 175.324 1.996 25642 4050 1 9 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.526 -0.266 25642 4051 1 9 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.758 0.692 25642 4052 1 9 . 1 1 87 87 ALA H H 87 8.080 8.080 8.392 -0.312 25642 4053 1 9 . 1 1 88 88 GLU N N 88 120.180 120.180 118.691 1.489 25642 4054 1 9 . 1 1 88 88 GLU C C 88 177.310 177.310 176.222 1.088 25642 4055 1 9 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.184 1.006 25642 4056 1 9 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.115 -1.465 25642 4057 1 9 . 1 1 88 88 GLU H H 88 8.640 8.640 8.149 0.491 25642 4058 1 9 . 1 1 89 89 ALA N N 89 118.770 118.770 119.959 -1.189 25642 4059 1 9 . 1 1 89 89 ALA C C 89 175.890 175.890 175.133 0.757 25642 4060 1 9 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.656 0.854 25642 4061 1 9 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.689 -0.419 25642 4062 1 9 . 1 1 89 89 ALA H H 89 7.340 7.340 8.081 -0.741 25642 4063 1 9 . 1 1 90 90 VAL N N 90 119.720 119.720 122.937 -3.217 25642 4064 1 9 . 1 1 90 90 VAL C C 90 174.710 174.710 174.478 0.232 25642 4065 1 9 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.971 -1.452 25642 4066 1 9 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.067 0.923 25642 4067 1 9 . 1 1 90 90 VAL H H 90 8.490 8.490 8.098 0.392 25642 4068 1 9 . 1 1 91 91 GLU N N 91 128.200 128.200 128.099 0.101 25642 4069 1 9 . 1 1 91 91 GLU C C 91 175.470 175.470 175.635 -0.165 25642 4070 1 9 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.863 -0.073 25642 4071 1 9 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.762 0.918 25642 4072 1 9 . 1 1 91 91 GLU H H 91 9.070 9.070 8.465 0.605 25642 4073 1 9 . 1 1 92 92 VAL N N 92 122.080 122.080 125.042 -2.962 25642 4074 1 9 . 1 1 92 92 VAL C C 92 174.490 174.490 175.388 -0.898 25642 4075 1 9 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.134 0.526 25642 4076 1 9 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.325 0.765 25642 4077 1 9 . 1 1 92 92 VAL H H 92 9.450 9.450 8.292 1.158 25642 4078 1 9 . 1 1 93 93 ARG N N 93 123.900 123.900 122.027 1.873 25642 4079 1 9 . 1 1 93 93 ARG C C 93 176.280 176.280 175.278 1.002 25642 4080 1 9 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.300 0.990 25642 4081 1 9 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.825 -0.935 25642 4082 1 9 . 1 1 93 93 ARG H H 93 9.200 9.200 8.223 0.977 25642 4083 1 9 . 1 1 94 94 GLY N N 94 111.100 111.100 106.366 4.734 25642 4084 1 9 . 1 1 94 94 GLY C C 94 170.710 170.710 172.192 -1.482 25642 4085 1 9 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.962 0.829 25642 4086 1 9 . 1 1 94 94 GLY H H 94 6.250 6.250 7.950 -1.700 25642 4087 1 9 . 1 1 95 95 ARG N N 95 126.190 126.190 119.609 6.581 25642 4088 1 9 . 1 1 95 95 ARG C C 95 175.570 175.570 174.504 1.066 25642 4089 1 9 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.755 -1.085 25642 4090 1 9 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.583 1.337 25642 4091 1 9 . 1 1 95 95 ARG H H 95 8.140 8.140 7.724 0.416 25642 4092 1 9 . 1 1 96 96 VAL N N 96 124.800 124.800 123.002 1.798 25642 4093 1 9 . 1 1 96 96 VAL C C 96 174.070 174.070 173.323 0.747 25642 4094 1 9 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.648 1.512 25642 4095 1 9 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.575 0.285 25642 4096 1 9 . 1 1 96 96 VAL H H 96 9.430 9.430 8.853 0.577 25642 4097 1 9 . 1 1 97 97 VAL N N 97 128.010 128.010 123.206 4.804 25642 4098 1 9 . 1 1 97 97 VAL C C 97 176.430 176.430 174.146 2.284 25642 4099 1 9 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.119 0.961 25642 4100 1 9 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.337 0.293 25642 4101 1 9 . 1 1 97 97 VAL H H 97 9.260 9.260 8.877 0.383 25642 4102 1 9 . 1 1 98 98 GLY N N 98 116.340 116.340 115.252 1.088 25642 4103 1 9 . 1 1 98 98 GLY C C 98 171.770 171.770 172.192 -0.422 25642 4104 1 9 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.300 -0.410 25642 4105 1 9 . 1 1 98 98 GLY H H 98 8.600 8.600 7.967 0.633 25642 4106 1 9 . 1 1 99 99 ALA N N 99 124.110 124.110 123.087 1.023 25642 4107 1 9 . 1 1 99 99 ALA C C 99 176.060 176.060 174.527 1.533 25642 4108 1 9 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.184 0.506 25642 4109 1 9 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.619 -0.918 25642 4110 1 9 . 1 1 99 99 ALA H H 99 8.110 8.110 7.808 0.302 25642 4111 1 9 . 1 1 100 100 ILE N N 100 119.340 119.340 121.185 -1.845 25642 4112 1 9 . 1 1 100 100 ILE C C 100 174.770 174.770 173.145 1.625 25642 4113 1 9 . 1 1 100 100 ILE CA C 100 60.620 60.620 60.221 0.399 25642 4114 1 9 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.731 0.589 25642 4115 1 9 . 1 1 100 100 ILE H H 100 8.910 8.910 8.168 0.742 25642 4116 1 9 . 1 1 101 101 THR N N 101 127.010 127.010 124.153 2.857 25642 4117 1 9 . 1 1 101 101 THR C C 101 173.980 173.980 173.666 0.314 25642 4118 1 9 . 1 1 101 101 THR CA C 101 61.620 61.620 61.215 0.405 25642 4119 1 9 . 1 1 101 101 THR CB C 101 69.700 69.700 70.885 -1.185 25642 4120 1 9 . 1 1 101 101 THR H H 101 8.950 8.950 8.121 0.829 25642 4121 1 9 . 1 1 102 102 SER N N 102 119.870 119.870 121.392 -1.522 25642 4122 1 9 . 1 1 102 102 SER C C 102 174.000 174.000 173.498 0.502 25642 4123 1 9 . 1 1 102 102 SER CA C 102 56.190 56.190 57.667 -1.477 25642 4124 1 9 . 1 1 102 102 SER CB C 102 64.710 64.710 66.770 -2.060 25642 4125 1 9 . 1 1 102 102 SER H H 102 8.800 8.800 8.290 0.510 25642 4126 1 9 . 1 1 103 103 LYS N N 103 124.650 124.650 121.328 3.322 25642 4127 1 9 . 1 1 103 103 LYS C C 103 177.200 177.200 176.869 0.331 25642 4128 1 9 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.080 4.220 25642 4129 1 9 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.569 -1.060 25642 4130 1 9 . 1 1 103 103 LYS H H 103 7.560 7.560 8.555 -0.995 25642 4131 1 9 . 1 1 104 104 GLN N N 104 115.370 115.370 117.536 -2.166 25642 4132 1 9 . 1 1 104 104 GLN C C 104 174.650 174.650 174.020 0.630 25642 4133 1 9 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.596 0.264 25642 4134 1 9 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.495 -0.615 25642 4135 1 9 . 1 1 104 104 GLN H H 104 7.650 7.650 7.981 -0.331 25642 4136 1 9 . 1 1 105 105 VAL N N 105 125.510 125.510 124.745 0.765 25642 4137 1 9 . 1 1 105 105 VAL C C 105 174.530 174.530 174.010 0.520 25642 4138 1 9 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.350 -0.430 25642 4139 1 9 . 1 1 105 105 VAL CB C 105 35.000 35.000 34.978 0.022 25642 4140 1 9 . 1 1 105 105 VAL H H 105 8.670 8.670 8.468 0.202 25642 4141 1 9 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.237 0.813 25642 4142 1 9 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.821 -0.081 25642 4143 1 9 . 1 1 106 106 ARG H H 106 8.560 8.560 9.101 -0.541 25642 4144 1 9 . 1 1 107 107 LEU N N 107 125.820 125.820 125.895 -0.075 25642 4145 1 9 . 1 1 107 107 LEU C C 107 176.190 176.190 175.068 1.122 25642 4146 1 9 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.184 -0.614 25642 4147 1 9 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.925 0.205 25642 4148 1 9 . 1 1 107 107 LEU H H 107 8.730 8.730 8.395 0.335 25642 4149 1 9 . 1 1 108 108 TYR N N 108 120.870 120.870 123.589 -2.719 25642 4150 1 9 . 1 1 108 108 TYR C C 108 178.880 178.880 177.134 1.746 25642 4151 1 9 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.621 0.909 25642 4152 1 9 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.617 -0.837 25642 4153 1 9 . 1 1 108 108 TYR H H 108 8.280 8.280 7.795 0.485 25642 4154 1 9 . 1 1 109 109 GLY N N 109 112.380 112.380 110.264 2.116 25642 4155 1 9 . 1 1 109 109 GLY C C 109 172.330 172.330 175.657 -3.327 25642 4156 1 9 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.633 1.647 25642 4157 1 9 . 1 1 109 109 GLY H H 109 10.080 10.080 8.796 1.284 25642 4158 1 9 . 1 1 110 110 THR N N 110 103.280 103.280 118.595 -15.315 25642 4159 1 9 . 1 1 110 110 THR C C 110 175.370 175.370 174.796 0.574 25642 4160 1 9 . 1 1 110 110 THR CA C 110 61.220 61.220 61.978 -0.758 25642 4161 1 9 . 1 1 110 110 THR CB C 110 70.160 70.160 67.163 2.997 25642 4162 1 9 . 1 1 110 110 THR H H 110 6.910 6.910 8.540 -1.630 25642 4163 1 9 . 1 1 111 111 SER N N 111 118.040 118.040 118.087 -0.047 25642 4164 1 9 . 1 1 111 111 SER C C 111 174.740 174.740 173.406 1.334 25642 4165 1 9 . 1 1 111 111 SER CA C 111 59.070 59.070 59.368 -0.298 25642 4166 1 9 . 1 1 111 111 SER CB C 111 67.870 67.870 64.064 3.806 25642 4167 1 9 . 1 1 111 111 SER H H 111 7.960 7.960 7.987 -0.027 25642 4168 1 9 . 1 1 112 112 TYR N N 112 124.220 124.220 127.891 -3.671 25642 4169 1 9 . 1 1 112 112 TYR C C 112 174.090 174.090 173.819 0.271 25642 4170 1 9 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.458 0.952 25642 4171 1 9 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.799 -1.109 25642 4172 1 9 . 1 1 112 112 TYR H H 112 8.720 8.720 8.237 0.483 25642 4173 1 9 . 1 1 113 113 VAL N N 113 129.090 129.090 127.562 1.528 25642 4174 1 9 . 1 1 113 113 VAL C C 113 173.870 173.870 173.991 -0.121 25642 4175 1 9 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.886 0.154 25642 4176 1 9 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.576 0.354 25642 4177 1 9 . 1 1 113 113 VAL H H 113 9.640 9.640 7.712 1.928 25642 4178 1 9 . 1 1 114 114 ASP N N 114 127.460 127.460 125.653 1.807 25642 4179 1 9 . 1 1 114 114 ASP C C 114 176.250 176.250 175.496 0.754 25642 4180 1 9 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.420 -0.950 25642 4181 1 9 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.801 0.419 25642 4182 1 9 . 1 1 114 114 ASP H H 114 8.630 8.630 7.928 0.702 25642 4183 1 9 . 1 1 115 115 GLY N N 115 113.040 113.040 111.277 1.763 25642 4184 1 9 . 1 1 115 115 GLY C C 115 171.140 171.140 172.566 -1.426 25642 4185 1 9 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.063 0.087 25642 4186 1 9 . 1 1 115 115 GLY H H 115 8.880 8.880 7.915 0.965 25642 4187 1 9 . 1 1 116 116 ASP N N 116 117.450 117.450 123.200 -5.750 25642 4188 1 9 . 1 1 116 116 ASP C C 116 176.850 176.850 175.145 1.705 25642 4189 1 9 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.606 -0.246 25642 4190 1 9 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.693 0.677 25642 4191 1 9 . 1 1 116 116 ASP H H 116 7.390 7.390 7.986 -0.596 25642 4192 1 9 . 1 1 117 117 ILE N N 117 121.440 121.440 126.285 -4.845 25642 4193 1 9 . 1 1 117 117 ILE C C 117 176.780 176.780 174.535 2.245 25642 4194 1 9 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.607 1.113 25642 4195 1 9 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.666 -2.036 25642 4196 1 9 . 1 1 117 117 ILE H H 117 9.200 9.200 8.065 1.135 25642 4197 1 9 . 1 1 118 118 THR N N 118 131.550 131.550 123.634 7.916 25642 4198 1 9 . 1 1 118 118 THR C C 118 173.630 173.630 172.820 0.810 25642 4199 1 9 . 1 1 118 118 THR CA C 118 62.110 62.110 61.363 0.747 25642 4200 1 9 . 1 1 118 118 THR CB C 118 67.860 67.860 70.081 -2.220 25642 4201 1 9 . 1 1 118 118 THR H H 118 9.560 9.560 8.071 1.489 25642 4202 1 9 . 1 1 119 119 HIS N N 119 121.300 121.300 122.122 -0.822 25642 4203 1 9 . 1 1 119 119 HIS C C 119 174.780 174.780 174.098 0.682 25642 4204 1 9 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.208 1.642 25642 4205 1 9 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.640 -0.090 25642 4206 1 9 . 1 1 119 119 HIS H H 119 8.290 8.290 8.220 0.070 25642 4207 1 9 . 1 1 120 120 GLU N N 120 118.130 118.130 118.781 -0.651 25642 4208 1 9 . 1 1 120 120 GLU C C 120 177.120 177.120 176.433 0.687 25642 4209 1 9 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.766 2.014 25642 4210 1 9 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.423 -0.123 25642 4211 1 9 . 1 1 120 120 GLU H H 120 7.710 7.710 8.618 -0.908 25642 4212 1 9 . 1 1 121 121 GLN N N 121 117.670 117.670 118.098 -0.428 25642 4213 1 9 . 1 1 121 121 GLN C C 121 172.760 172.760 173.849 -1.089 25642 4214 1 9 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.764 1.116 25642 4215 1 9 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.632 0.948 25642 4216 1 9 . 1 1 121 121 GLN H H 121 8.950 8.950 7.593 1.357 25642 4217 1 9 . 1 1 122 122 LEU N N 122 126.250 126.250 119.562 6.688 25642 4218 1 9 . 1 1 122 122 LEU C C 122 173.300 173.300 175.720 -2.420 25642 4219 1 9 . 1 1 122 122 LEU CA C 122 53.820 53.820 52.621 1.199 25642 4220 1 9 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.128 0.322 25642 4221 1 9 . 1 1 122 122 LEU H H 122 8.660 8.660 8.262 0.398 25642 4222 1 9 . 1 1 123 123 ALA N N 123 126.670 126.670 124.987 1.683 25642 4223 1 9 . 1 1 123 123 ALA C C 123 175.940 175.940 175.600 0.340 25642 4224 1 9 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.541 -1.971 25642 4225 1 9 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.044 0.306 25642 4226 1 9 . 1 1 123 123 ALA H H 123 8.090 8.090 8.588 -0.498 25642 4227 1 9 . 1 1 124 124 MET N N 124 119.800 119.800 122.087 -2.287 25642 4228 1 9 . 1 1 124 124 MET C C 124 174.960 174.960 175.530 -0.570 25642 4229 1 9 . 1 1 124 124 MET CA C 124 54.770 54.770 53.741 1.029 25642 4230 1 9 . 1 1 124 124 MET CB C 124 37.620 37.620 32.379 5.241 25642 4231 1 9 . 1 1 124 124 MET H H 124 8.810 8.810 8.499 0.311 25642 4232 1 9 . 1 1 125 125 GLU N N 125 125.500 125.500 124.341 1.159 25642 4233 1 9 . 1 1 125 125 GLU C C 125 175.410 175.410 175.795 -0.385 25642 4234 1 9 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.014 0.656 25642 4235 1 9 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.448 0.062 25642 4236 1 9 . 1 1 125 125 GLU H H 125 8.760 8.760 8.096 0.664 25642 4237 1 9 . 1 1 126 126 THR N N 126 118.440 118.440 116.278 2.162 25642 4238 1 9 . 1 1 126 126 THR C C 126 174.300 174.300 175.249 -0.949 25642 4239 1 9 . 1 1 126 126 THR CA C 126 65.870 65.870 64.529 1.341 25642 4240 1 9 . 1 1 126 126 THR CB C 126 69.050 69.050 69.143 -0.093 25642 4241 1 9 . 1 1 127 127 GLY N N 127 116.970 116.970 112.335 4.635 25642 4242 1 9 . 1 1 127 127 GLY C C 127 175.320 175.320 173.159 2.161 25642 4243 1 9 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.008 -0.008 25642 4244 1 9 . 1 1 128 128 ALA N N 128 124.190 124.190 123.990 0.200 25642 4245 1 9 . 1 1 128 128 ALA C C 128 177.670 177.670 176.084 1.586 25642 4246 1 9 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.373 2.268 25642 4247 1 9 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.825 -0.075 25642 4248 1 9 . 1 1 128 128 ALA H H 128 7.930 7.930 7.414 0.516 25642 4249 1 9 . 1 1 129 129 PHE N N 129 127.300 127.300 126.470 0.830 25642 4250 1 9 . 1 1 129 129 PHE C C 129 173.400 173.400 173.579 -0.179 25642 4251 1 9 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.920 -0.030 25642 4252 1 9 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.816 -1.296 25642 4253 1 9 . 1 1 129 129 PHE H H 129 8.550 8.550 9.260 -0.710 25642 4254 1 9 . 1 1 130 130 PHE N N 130 131.220 131.220 121.604 9.616 25642 4255 1 9 . 1 1 130 130 PHE C C 130 173.550 173.550 174.390 -0.840 25642 4256 1 9 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.506 -2.136 25642 4257 1 9 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.930 -0.470 25642 4258 1 9 . 1 1 130 130 PHE H H 130 8.860 8.860 7.816 1.044 25642 4259 1 9 . 1 1 131 131 GLN N N 131 130.230 130.230 125.129 5.101 25642 4260 1 9 . 1 1 131 131 GLN C C 131 173.350 173.350 174.540 -1.190 25642 4261 1 9 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.574 -1.154 25642 4262 1 9 . 1 1 131 131 GLN CB C 131 33.000 33.000 29.652 3.348 25642 4263 1 9 . 1 1 131 131 GLN H H 131 8.840 8.840 8.282 0.558 25642 4264 1 9 . 1 1 132 132 GLY N N 132 112.460 112.460 110.012 2.448 25642 4265 1 9 . 1 1 132 132 GLY C C 132 172.750 172.750 172.609 0.141 25642 4266 1 9 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.101 -0.631 25642 4267 1 9 . 1 1 133 133 ARG N N 133 119.950 119.950 120.719 -0.769 25642 4268 1 9 . 1 1 133 133 ARG C C 133 173.910 173.910 175.725 -1.815 25642 4269 1 9 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.746 0.124 25642 4270 1 9 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.762 1.428 25642 4271 1 9 . 1 1 133 133 ARG H H 133 8.470 8.470 8.159 0.311 25642 4272 1 9 . 1 1 134 134 SER N N 134 119.120 119.120 121.704 -2.584 25642 4273 1 9 . 1 1 134 134 SER C C 134 174.260 174.260 173.971 0.289 25642 4274 1 9 . 1 1 134 134 SER CA C 134 57.140 57.140 58.469 -1.329 25642 4275 1 9 . 1 1 134 134 SER CB C 134 63.450 63.450 63.884 -0.434 25642 4276 1 9 . 1 1 134 134 SER H H 134 8.680 8.680 8.682 -0.002 25642 4277 1 9 . 1 1 135 135 LEU N N 135 127.740 127.740 128.232 -0.492 25642 4278 1 9 . 1 1 135 135 LEU C C 135 174.990 174.990 175.735 -0.745 25642 4279 1 9 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.814 -0.594 25642 4280 1 9 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.085 3.095 25642 4281 1 9 . 1 1 135 135 LEU H H 135 8.560 8.560 8.204 0.356 25642 4282 1 9 . 1 1 136 136 LYS N N 136 118.190 118.190 125.339 -7.149 25642 4283 1 9 . 1 1 136 136 LYS C C 136 178.030 178.030 176.811 1.219 25642 4284 1 9 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.533 -3.473 25642 4285 1 9 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.991 -1.981 25642 4286 1 9 . 1 1 136 136 LYS H H 136 8.180 8.180 8.514 -0.334 25642 4287 1 9 . 1 1 137 137 PHE N N 137 121.570 121.570 125.076 -3.506 25642 4288 1 9 . 1 1 137 137 PHE C C 137 176.370 176.370 175.262 1.108 25642 4289 1 9 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.397 0.543 25642 4290 1 9 . 1 1 137 137 PHE CB C 137 39.730 39.730 38.348 1.382 25642 4291 1 9 . 1 1 137 137 PHE H H 137 7.800 7.800 9.113 -1.313 25642 4292 1 9 . 1 1 138 138 GLN N N 138 123.070 123.070 126.440 -3.370 25642 4293 1 9 . 1 1 138 138 GLN H H 138 8.560 8.560 8.726 -0.166 25642 4294 1 10 . 1 1 38 38 VAL C C 38 175.900 175.900 175.937 -0.037 25642 4295 1 10 . 1 1 39 39 ALA N N 39 130.020 130.020 120.705 9.315 25642 4296 1 10 . 1 1 39 39 ALA C C 39 177.440 177.440 176.869 0.571 25642 4297 1 10 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.045 1.335 25642 4298 1 10 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.344 -0.524 25642 4299 1 10 . 1 1 39 39 ALA H H 39 8.200 8.200 7.555 0.645 25642 4300 1 10 . 1 1 40 40 SER N N 40 115.080 115.080 118.685 -3.605 25642 4301 1 10 . 1 1 40 40 SER C C 40 173.460 173.460 172.953 0.507 25642 4302 1 10 . 1 1 40 40 SER CA C 40 60.040 60.040 56.523 3.517 25642 4303 1 10 . 1 1 40 40 SER CB C 40 66.420 66.420 64.879 1.541 25642 4304 1 10 . 1 1 40 40 SER H H 40 7.970 7.970 8.164 -0.194 25642 4305 1 10 . 1 1 41 41 LEU N N 41 127.860 127.860 125.914 1.946 25642 4306 1 10 . 1 1 41 41 LEU C C 41 174.130 174.130 176.323 -2.193 25642 4307 1 10 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.832 0.828 25642 4308 1 10 . 1 1 41 41 LEU CB C 41 46.300 46.300 41.976 4.324 25642 4309 1 10 . 1 1 41 41 LEU H H 41 9.490 9.490 8.472 1.018 25642 4310 1 10 . 1 1 42 42 LEU N N 42 126.730 126.730 127.127 -0.397 25642 4311 1 10 . 1 1 42 42 LEU C C 42 175.120 175.120 176.924 -1.804 25642 4312 1 10 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.236 -0.526 25642 4313 1 10 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.624 -1.164 25642 4314 1 10 . 1 1 42 42 LEU H H 42 8.640 8.640 8.754 -0.114 25642 4315 1 10 . 1 1 43 43 SER N N 43 123.530 123.530 119.578 3.952 25642 4316 1 10 . 1 1 43 43 SER C C 43 172.810 172.810 174.952 -2.142 25642 4317 1 10 . 1 1 43 43 SER CA C 43 58.990 58.990 58.963 0.027 25642 4318 1 10 . 1 1 43 43 SER CB C 43 64.200 64.200 63.887 0.313 25642 4319 1 10 . 1 1 43 43 SER H H 43 9.060 9.060 8.720 0.340 25642 4320 1 10 . 1 1 44 44 ALA N N 44 119.250 119.250 120.972 -1.722 25642 4321 1 10 . 1 1 44 44 ALA C C 44 177.720 177.720 177.931 -0.211 25642 4322 1 10 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.900 0.100 25642 4323 1 10 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.108 -0.378 25642 4324 1 10 . 1 1 44 44 ALA H H 44 8.490 8.490 8.580 -0.090 25642 4325 1 10 . 1 1 45 45 ASP N N 45 114.450 114.450 117.241 -2.791 25642 4326 1 10 . 1 1 45 45 ASP C C 45 175.800 175.800 174.791 1.009 25642 4327 1 10 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.502 -0.522 25642 4328 1 10 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.313 2.367 25642 4329 1 10 . 1 1 45 45 ASP H H 45 8.080 8.080 8.455 -0.375 25642 4330 1 10 . 1 1 46 46 LEU N N 46 122.200 122.200 121.322 0.878 25642 4331 1 10 . 1 1 46 46 LEU C C 46 176.290 176.290 174.588 1.702 25642 4332 1 10 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.404 0.216 25642 4333 1 10 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.445 0.515 25642 4334 1 10 . 1 1 46 46 LEU H H 46 7.860 7.860 7.419 0.441 25642 4335 1 10 . 1 1 47 47 THR N N 47 119.850 119.850 121.254 -1.404 25642 4336 1 10 . 1 1 47 47 THR C C 47 174.140 174.140 173.679 0.461 25642 4337 1 10 . 1 1 47 47 THR CA C 47 61.650 61.650 61.105 0.545 25642 4338 1 10 . 1 1 47 47 THR CB C 47 71.210 71.210 70.608 0.602 25642 4339 1 10 . 1 1 47 47 THR H H 47 9.000 9.000 8.318 0.682 25642 4340 1 10 . 1 1 48 48 ILE N N 48 128.090 128.090 127.286 0.804 25642 4341 1 10 . 1 1 48 48 ILE C C 48 174.810 174.810 175.357 -0.547 25642 4342 1 10 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.544 -0.394 25642 4343 1 10 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.163 1.948 25642 4344 1 10 . 1 1 48 48 ILE H H 48 9.330 9.330 8.224 1.106 25642 4345 1 10 . 1 1 49 49 GLU N N 49 129.080 129.080 125.336 3.744 25642 4346 1 10 . 1 1 49 49 GLU C C 49 175.160 175.160 176.923 -1.763 25642 4347 1 10 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.643 -1.143 25642 4348 1 10 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.937 -2.577 25642 4349 1 10 . 1 1 49 49 GLU H H 49 8.830 8.830 8.523 0.307 25642 4350 1 10 . 1 1 50 50 GLY N N 50 114.250 114.250 114.042 0.208 25642 4351 1 10 . 1 1 50 50 GLY C C 50 170.510 170.510 173.601 -3.091 25642 4352 1 10 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.182 -0.122 25642 4353 1 10 . 1 1 50 50 GLY H H 50 8.320 8.320 8.788 -0.468 25642 4354 1 10 . 1 1 51 51 GLY N N 51 102.740 102.740 109.086 -6.346 25642 4355 1 10 . 1 1 51 51 GLY C C 51 174.230 174.230 173.167 1.063 25642 4356 1 10 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.406 -0.526 25642 4357 1 10 . 1 1 51 51 GLY H H 51 8.000 8.000 7.912 0.088 25642 4358 1 10 . 1 1 52 52 VAL N N 52 122.770 122.770 123.082 -0.312 25642 4359 1 10 . 1 1 52 52 VAL C C 52 175.290 175.290 174.466 0.824 25642 4360 1 10 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.672 1.498 25642 4361 1 10 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.369 -0.419 25642 4362 1 10 . 1 1 52 52 VAL H H 52 8.550 8.550 8.303 0.247 25642 4363 1 10 . 1 1 53 53 THR N N 53 121.860 121.860 120.809 1.051 25642 4364 1 10 . 1 1 53 53 THR C C 53 173.790 173.790 174.434 -0.644 25642 4365 1 10 . 1 1 53 53 THR CA C 53 60.580 60.580 59.731 0.849 25642 4366 1 10 . 1 1 53 53 THR CB C 53 72.310 72.310 69.713 2.597 25642 4367 1 10 . 1 1 53 53 THR H H 53 9.150 9.150 8.315 0.835 25642 4368 1 10 . 1 1 54 54 GLY N N 54 112.960 112.960 115.369 -2.409 25642 4369 1 10 . 1 1 54 54 GLY C C 54 172.530 172.530 172.734 -0.204 25642 4370 1 10 . 1 1 54 54 GLY CA C 54 45.870 45.870 43.728 2.142 25642 4371 1 10 . 1 1 54 54 GLY H H 54 9.080 9.080 8.853 0.227 25642 4372 1 10 . 1 1 55 55 GLU N N 55 118.200 118.200 118.558 -0.358 25642 4373 1 10 . 1 1 55 55 GLU C C 55 177.350 177.350 175.905 1.445 25642 4374 1 10 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.320 -0.220 25642 4375 1 10 . 1 1 55 55 GLU CB C 55 31.140 31.140 31.530 -0.390 25642 4376 1 10 . 1 1 55 55 GLU H H 55 8.790 8.790 8.428 0.362 25642 4377 1 10 . 1 1 56 56 GLY N N 56 109.740 109.740 114.529 -4.789 25642 4378 1 10 . 1 1 56 56 GLY C C 56 173.400 173.400 173.186 0.214 25642 4379 1 10 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.673 0.017 25642 4380 1 10 . 1 1 56 56 GLY H H 56 8.580 8.580 8.319 0.261 25642 4381 1 10 . 1 1 57 57 GLU N N 57 122.180 122.180 124.114 -1.934 25642 4382 1 10 . 1 1 57 57 GLU C C 57 175.970 175.970 175.296 0.674 25642 4383 1 10 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.819 -0.719 25642 4384 1 10 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.480 1.290 25642 4385 1 10 . 1 1 57 57 GLU H H 57 8.810 8.810 8.233 0.577 25642 4386 1 10 . 1 1 58 58 LEU N N 58 126.040 126.040 129.467 -3.427 25642 4387 1 10 . 1 1 58 58 LEU C C 58 173.100 173.100 174.206 -1.106 25642 4388 1 10 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.582 0.098 25642 4389 1 10 . 1 1 58 58 LEU CB C 58 46.440 46.440 43.495 2.945 25642 4390 1 10 . 1 1 58 58 LEU H H 58 8.720 8.720 8.693 0.027 25642 4391 1 10 . 1 1 59 59 GLN N N 59 127.940 127.940 128.724 -0.784 25642 4392 1 10 . 1 1 59 59 GLN C C 59 174.540 174.540 174.173 0.367 25642 4393 1 10 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.483 -0.643 25642 4394 1 10 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.279 0.511 25642 4395 1 10 . 1 1 59 59 GLN H H 59 8.400 8.400 8.609 -0.209 25642 4396 1 10 . 1 1 60 60 ILE N N 60 124.610 124.610 126.697 -2.087 25642 4397 1 10 . 1 1 60 60 ILE C C 60 174.340 174.340 172.936 1.404 25642 4398 1 10 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.858 2.472 25642 4399 1 10 . 1 1 60 60 ILE CB C 60 40.750 40.750 42.282 -1.532 25642 4400 1 10 . 1 1 60 60 ILE H H 60 9.100 9.100 8.271 0.829 25642 4401 1 10 . 1 1 61 61 ASP N N 61 127.350 127.350 125.830 1.520 25642 4402 1 10 . 1 1 61 61 ASP C C 61 176.210 176.210 174.557 1.653 25642 4403 1 10 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.931 0.969 25642 4404 1 10 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.104 1.376 25642 4405 1 10 . 1 1 61 61 ASP H H 61 9.070 9.070 8.265 0.805 25642 4406 1 10 . 1 1 62 62 GLY N N 62 110.340 110.340 107.226 3.114 25642 4407 1 10 . 1 1 62 62 GLY C C 62 170.870 170.870 172.166 -1.296 25642 4408 1 10 . 1 1 62 62 GLY CA C 62 45.490 45.490 43.891 1.599 25642 4409 1 10 . 1 1 62 62 GLY H H 62 6.590 6.590 7.532 -0.942 25642 4410 1 10 . 1 1 63 63 VAL N N 63 122.570 122.570 119.751 2.819 25642 4411 1 10 . 1 1 63 63 VAL C C 63 176.030 176.030 174.487 1.543 25642 4412 1 10 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.200 0.810 25642 4413 1 10 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.268 1.582 25642 4414 1 10 . 1 1 63 63 VAL H H 63 8.070 8.070 7.692 0.378 25642 4415 1 10 . 1 1 64 64 VAL N N 64 125.470 125.470 129.899 -4.429 25642 4416 1 10 . 1 1 64 64 VAL C C 64 174.410 174.410 174.307 0.103 25642 4417 1 10 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.240 -0.020 25642 4418 1 10 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.089 3.601 25642 4419 1 10 . 1 1 64 64 VAL H H 64 9.010 9.010 8.220 0.790 25642 4420 1 10 . 1 1 65 65 LYS N N 65 129.120 129.120 126.678 2.442 25642 4421 1 10 . 1 1 65 65 LYS C C 65 175.120 175.120 176.367 -1.247 25642 4422 1 10 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.458 -0.148 25642 4423 1 10 . 1 1 65 65 LYS CB C 65 32.440 32.440 36.135 -3.695 25642 4424 1 10 . 1 1 65 65 LYS H H 65 9.150 9.150 7.946 1.204 25642 4425 1 10 . 1 1 66 66 GLY N N 66 115.020 115.020 112.300 2.720 25642 4426 1 10 . 1 1 66 66 GLY C C 66 170.210 170.210 172.683 -2.473 25642 4427 1 10 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.431 0.049 25642 4428 1 10 . 1 1 66 66 GLY H H 66 8.300 8.300 8.093 0.207 25642 4429 1 10 . 1 1 67 67 ASP N N 67 115.420 115.420 123.517 -8.097 25642 4430 1 10 . 1 1 67 67 ASP C C 67 176.920 176.920 175.796 1.124 25642 4431 1 10 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.060 0.270 25642 4432 1 10 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.077 -0.127 25642 4433 1 10 . 1 1 67 67 ASP H H 67 7.690 7.690 8.207 -0.517 25642 4434 1 10 . 1 1 68 68 VAL N N 68 122.440 122.440 124.226 -1.786 25642 4435 1 10 . 1 1 68 68 VAL C C 68 174.450 174.450 174.512 -0.062 25642 4436 1 10 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.549 0.421 25642 4437 1 10 . 1 1 68 68 VAL CB C 68 35.240 35.240 32.999 2.241 25642 4438 1 10 . 1 1 68 68 VAL H H 68 8.930 8.930 8.056 0.874 25642 4439 1 10 . 1 1 69 69 ARG N N 69 130.610 130.610 128.625 1.985 25642 4440 1 10 . 1 1 69 69 ARG C C 69 175.150 175.150 174.023 1.127 25642 4441 1 10 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.295 0.524 25642 4442 1 10 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.491 -1.491 25642 4443 1 10 . 1 1 69 69 ARG H H 69 9.110 9.110 8.509 0.601 25642 4444 1 10 . 1 1 70 70 VAL N N 70 114.530 114.530 124.106 -9.576 25642 4445 1 10 . 1 1 70 70 VAL C C 70 175.440 175.440 174.001 1.439 25642 4446 1 10 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.307 -1.907 25642 4447 1 10 . 1 1 70 70 VAL CB C 70 35.370 35.370 34.944 0.426 25642 4448 1 10 . 1 1 70 70 VAL H H 70 8.290 8.290 7.746 0.544 25642 4449 1 10 . 1 1 71 71 GLY N N 71 108.150 108.150 110.281 -2.131 25642 4450 1 10 . 1 1 71 71 GLY C C 71 174.710 174.710 173.771 0.939 25642 4451 1 10 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.314 1.586 25642 4452 1 10 . 1 1 71 71 GLY H H 71 8.110 8.110 8.607 -0.497 25642 4453 1 10 . 1 1 72 72 ARG N N 72 120.660 120.660 120.952 -0.292 25642 4454 1 10 . 1 1 72 72 ARG C C 72 173.620 173.620 174.241 -0.621 25642 4455 1 10 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.904 0.416 25642 4456 1 10 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.191 1.589 25642 4457 1 10 . 1 1 72 72 ARG H H 72 7.690 7.690 8.093 -0.403 25642 4458 1 10 . 1 1 73 73 LEU N N 73 125.710 125.710 127.194 -1.484 25642 4459 1 10 . 1 1 73 73 LEU C C 73 175.230 175.230 174.543 0.687 25642 4460 1 10 . 1 1 73 73 LEU CA C 73 52.550 52.550 54.020 -1.470 25642 4461 1 10 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.959 1.571 25642 4462 1 10 . 1 1 73 73 LEU H H 73 8.570 8.570 8.201 0.369 25642 4463 1 10 . 1 1 74 74 THR N N 74 123.150 123.150 124.656 -1.506 25642 4464 1 10 . 1 1 74 74 THR C C 74 173.670 173.670 173.467 0.203 25642 4465 1 10 . 1 1 74 74 THR CA C 74 61.480 61.480 61.136 0.344 25642 4466 1 10 . 1 1 74 74 THR CB C 74 70.710 70.710 70.048 0.662 25642 4467 1 10 . 1 1 74 74 THR H H 74 8.860 8.860 8.489 0.371 25642 4468 1 10 . 1 1 75 75 VAL N N 75 127.890 127.890 127.188 0.702 25642 4469 1 10 . 1 1 75 75 VAL C C 75 176.800 176.800 177.063 -0.263 25642 4470 1 10 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.683 -1.553 25642 4471 1 10 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.914 1.926 25642 4472 1 10 . 1 1 75 75 VAL H H 75 8.910 8.910 7.987 0.923 25642 4473 1 10 . 1 1 76 76 GLY N N 76 116.590 116.590 116.963 -0.373 25642 4474 1 10 . 1 1 76 76 GLY C C 76 174.060 174.060 174.326 -0.266 25642 4475 1 10 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.522 -0.292 25642 4476 1 10 . 1 1 76 76 GLY H H 76 8.980 8.980 9.118 -0.138 25642 4477 1 10 . 1 1 77 77 GLU N N 77 121.140 121.140 118.129 3.011 25642 4478 1 10 . 1 1 77 77 GLU C C 77 178.620 178.620 178.434 0.186 25642 4479 1 10 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.326 2.174 25642 4480 1 10 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.002 0.118 25642 4481 1 10 . 1 1 77 77 GLU H H 77 9.260 9.260 8.530 0.730 25642 4482 1 10 . 1 1 78 78 THR N N 78 105.330 105.330 109.790 -4.460 25642 4483 1 10 . 1 1 78 78 THR C C 78 174.990 174.990 175.821 -0.831 25642 4484 1 10 . 1 1 78 78 THR CA C 78 62.040 62.040 63.282 -1.242 25642 4485 1 10 . 1 1 78 78 THR CB C 78 69.880 69.880 68.560 1.320 25642 4486 1 10 . 1 1 78 78 THR H H 78 8.010 8.010 8.038 -0.028 25642 4487 1 10 . 1 1 79 79 GLY N N 79 111.420 111.420 110.413 1.007 25642 4488 1 10 . 1 1 79 79 GLY C C 79 174.270 174.270 174.446 -0.176 25642 4489 1 10 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.019 -0.769 25642 4490 1 10 . 1 1 79 79 GLY H H 79 8.240 8.240 8.437 -0.197 25642 4491 1 10 . 1 1 80 80 HIS N N 80 123.970 123.970 118.606 5.364 25642 4492 1 10 . 1 1 80 80 HIS C C 80 173.800 173.800 174.001 -0.201 25642 4493 1 10 . 1 1 80 80 HIS CA C 80 54.860 54.860 56.120 -1.260 25642 4494 1 10 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.141 3.929 25642 4495 1 10 . 1 1 80 80 HIS H H 80 8.860 8.860 7.671 1.189 25642 4496 1 10 . 1 1 81 81 VAL N N 81 125.720 125.720 125.801 -0.081 25642 4497 1 10 . 1 1 81 81 VAL C C 81 174.580 174.580 173.447 1.133 25642 4498 1 10 . 1 1 81 81 VAL CA C 81 60.660 60.660 61.887 -1.227 25642 4499 1 10 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.617 0.243 25642 4500 1 10 . 1 1 81 81 VAL H H 81 8.900 8.900 8.304 0.596 25642 4501 1 10 . 1 1 82 82 GLU N N 82 129.500 129.500 127.683 1.817 25642 4502 1 10 . 1 1 82 82 GLU C C 82 175.200 175.200 175.443 -0.243 25642 4503 1 10 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.261 -0.361 25642 4504 1 10 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.590 -1.720 25642 4505 1 10 . 1 1 82 82 GLU H H 82 9.270 9.270 8.428 0.842 25642 4506 1 10 . 1 1 83 83 GLY N N 83 114.070 114.070 113.232 0.838 25642 4507 1 10 . 1 1 83 83 GLY C C 83 171.310 171.310 171.928 -0.618 25642 4508 1 10 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.287 -0.337 25642 4509 1 10 . 1 1 83 83 GLY H H 83 8.450 8.450 7.953 0.497 25642 4510 1 10 . 1 1 84 84 SER N N 84 113.810 113.810 116.306 -2.496 25642 4511 1 10 . 1 1 84 84 SER C C 84 173.140 173.140 173.275 -0.135 25642 4512 1 10 . 1 1 84 84 SER CA C 84 57.720 57.720 56.200 1.520 25642 4513 1 10 . 1 1 84 84 SER CB C 84 64.950 64.950 65.193 -0.243 25642 4514 1 10 . 1 1 84 84 SER H H 84 8.320 8.320 8.151 0.169 25642 4515 1 10 . 1 1 85 85 VAL N N 85 121.060 121.060 124.144 -3.084 25642 4516 1 10 . 1 1 85 85 VAL C C 85 174.960 174.960 172.957 2.003 25642 4517 1 10 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.196 0.224 25642 4518 1 10 . 1 1 85 85 VAL CB C 85 34.900 34.900 34.988 -0.088 25642 4519 1 10 . 1 1 85 85 VAL H H 85 8.730 8.730 7.924 0.806 25642 4520 1 10 . 1 1 86 86 TYR N N 86 129.090 129.090 125.465 3.625 25642 4521 1 10 . 1 1 86 86 TYR C C 86 174.420 174.420 174.265 0.155 25642 4522 1 10 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.940 0.520 25642 4523 1 10 . 1 1 86 86 TYR CB C 86 40.850 40.850 41.075 -0.225 25642 4524 1 10 . 1 1 86 86 TYR H H 86 9.580 9.580 9.172 0.408 25642 4525 1 10 . 1 1 87 87 ALA N N 87 122.670 122.670 125.776 -3.106 25642 4526 1 10 . 1 1 87 87 ALA C C 87 177.320 177.320 175.621 1.699 25642 4527 1 10 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.580 0.680 25642 4528 1 10 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.163 0.287 25642 4529 1 10 . 1 1 87 87 ALA H H 87 8.080 8.080 8.138 -0.058 25642 4530 1 10 . 1 1 88 88 GLU N N 88 120.180 120.180 118.558 1.622 25642 4531 1 10 . 1 1 88 88 GLU C C 88 177.310 177.310 176.119 1.191 25642 4532 1 10 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.056 2.134 25642 4533 1 10 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.075 -1.425 25642 4534 1 10 . 1 1 88 88 GLU H H 88 8.640 8.640 8.372 0.268 25642 4535 1 10 . 1 1 89 89 ALA N N 89 118.770 118.770 120.659 -1.889 25642 4536 1 10 . 1 1 89 89 ALA C C 89 175.890 175.890 175.247 0.643 25642 4537 1 10 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.565 0.945 25642 4538 1 10 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.300 -0.030 25642 4539 1 10 . 1 1 89 89 ALA H H 89 7.340 7.340 7.793 -0.453 25642 4540 1 10 . 1 1 90 90 VAL N N 90 119.720 119.720 122.369 -2.649 25642 4541 1 10 . 1 1 90 90 VAL C C 90 174.710 174.710 174.337 0.373 25642 4542 1 10 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.809 -0.290 25642 4543 1 10 . 1 1 90 90 VAL CB C 90 35.990 35.990 34.851 1.139 25642 4544 1 10 . 1 1 90 90 VAL H H 90 8.490 8.490 7.995 0.495 25642 4545 1 10 . 1 1 91 91 GLU N N 91 128.200 128.200 126.405 1.795 25642 4546 1 10 . 1 1 91 91 GLU C C 91 175.470 175.470 175.099 0.371 25642 4547 1 10 . 1 1 91 91 GLU CA C 91 54.790 54.790 55.052 -0.262 25642 4548 1 10 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.682 -0.002 25642 4549 1 10 . 1 1 91 91 GLU H H 91 9.070 9.070 8.914 0.156 25642 4550 1 10 . 1 1 92 92 VAL N N 92 122.080 122.080 124.053 -1.973 25642 4551 1 10 . 1 1 92 92 VAL C C 92 174.490 174.490 175.334 -0.844 25642 4552 1 10 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.158 1.502 25642 4553 1 10 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.775 0.315 25642 4554 1 10 . 1 1 92 92 VAL H H 92 9.450 9.450 8.069 1.381 25642 4555 1 10 . 1 1 93 93 ARG N N 93 123.900 123.900 121.297 2.603 25642 4556 1 10 . 1 1 93 93 ARG C C 93 176.280 176.280 175.305 0.975 25642 4557 1 10 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.232 1.058 25642 4558 1 10 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.601 -0.711 25642 4559 1 10 . 1 1 93 93 ARG H H 93 9.200 9.200 8.184 1.016 25642 4560 1 10 . 1 1 94 94 GLY N N 94 111.100 111.100 106.452 4.648 25642 4561 1 10 . 1 1 94 94 GLY C C 94 170.710 170.710 172.159 -1.449 25642 4562 1 10 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.934 0.856 25642 4563 1 10 . 1 1 94 94 GLY H H 94 6.250 6.250 7.950 -1.700 25642 4564 1 10 . 1 1 95 95 ARG N N 95 126.190 126.190 119.611 6.579 25642 4565 1 10 . 1 1 95 95 ARG C C 95 175.570 175.570 174.358 1.212 25642 4566 1 10 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.661 -0.991 25642 4567 1 10 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.764 1.156 25642 4568 1 10 . 1 1 95 95 ARG H H 95 8.140 8.140 7.717 0.423 25642 4569 1 10 . 1 1 96 96 VAL N N 96 124.800 124.800 123.174 1.626 25642 4570 1 10 . 1 1 96 96 VAL C C 96 174.070 174.070 173.131 0.939 25642 4571 1 10 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.047 1.113 25642 4572 1 10 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.666 0.194 25642 4573 1 10 . 1 1 96 96 VAL H H 96 9.430 9.430 8.901 0.529 25642 4574 1 10 . 1 1 97 97 VAL N N 97 128.010 128.010 128.425 -0.415 25642 4575 1 10 . 1 1 97 97 VAL C C 97 176.430 176.430 173.817 2.613 25642 4576 1 10 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.433 0.647 25642 4577 1 10 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.518 0.112 25642 4578 1 10 . 1 1 97 97 VAL H H 97 9.260 9.260 8.433 0.827 25642 4579 1 10 . 1 1 98 98 GLY N N 98 116.340 116.340 116.979 -0.639 25642 4580 1 10 . 1 1 98 98 GLY C C 98 171.770 171.770 172.112 -0.342 25642 4581 1 10 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.229 -0.339 25642 4582 1 10 . 1 1 98 98 GLY H H 98 8.600 8.600 7.869 0.731 25642 4583 1 10 . 1 1 99 99 ALA N N 99 124.110 124.110 123.161 0.949 25642 4584 1 10 . 1 1 99 99 ALA C C 99 176.060 176.060 174.488 1.572 25642 4585 1 10 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.285 0.405 25642 4586 1 10 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.596 -0.896 25642 4587 1 10 . 1 1 99 99 ALA H H 99 8.110 8.110 7.938 0.172 25642 4588 1 10 . 1 1 100 100 ILE N N 100 119.340 119.340 121.058 -1.718 25642 4589 1 10 . 1 1 100 100 ILE C C 100 174.770 174.770 173.443 1.327 25642 4590 1 10 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.843 0.777 25642 4591 1 10 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.818 0.502 25642 4592 1 10 . 1 1 100 100 ILE H H 100 8.910 8.910 8.116 0.794 25642 4593 1 10 . 1 1 101 101 THR N N 101 127.010 127.010 124.613 2.397 25642 4594 1 10 . 1 1 101 101 THR C C 101 173.980 173.980 173.346 0.634 25642 4595 1 10 . 1 1 101 101 THR CA C 101 61.620 61.620 61.093 0.527 25642 4596 1 10 . 1 1 101 101 THR CB C 101 69.700 69.700 69.854 -0.154 25642 4597 1 10 . 1 1 101 101 THR H H 101 8.950 8.950 8.237 0.713 25642 4598 1 10 . 1 1 102 102 SER N N 102 119.870 119.870 122.046 -2.176 25642 4599 1 10 . 1 1 102 102 SER C C 102 174.000 174.000 173.786 0.214 25642 4600 1 10 . 1 1 102 102 SER CA C 102 56.190 56.190 56.969 -0.779 25642 4601 1 10 . 1 1 102 102 SER CB C 102 64.710 64.710 67.310 -2.600 25642 4602 1 10 . 1 1 102 102 SER H H 102 8.800 8.800 8.382 0.418 25642 4603 1 10 . 1 1 103 103 LYS N N 103 124.650 124.650 121.821 2.829 25642 4604 1 10 . 1 1 103 103 LYS C C 103 177.200 177.200 176.738 0.462 25642 4605 1 10 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.864 3.436 25642 4606 1 10 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.597 -1.087 25642 4607 1 10 . 1 1 103 103 LYS H H 103 7.560 7.560 8.526 -0.966 25642 4608 1 10 . 1 1 104 104 GLN N N 104 115.370 115.370 116.006 -0.636 25642 4609 1 10 . 1 1 104 104 GLN C C 104 174.650 174.650 174.698 -0.048 25642 4610 1 10 . 1 1 104 104 GLN CA C 104 54.860 54.860 53.888 0.972 25642 4611 1 10 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.163 -0.284 25642 4612 1 10 . 1 1 104 104 GLN H H 104 7.650 7.650 7.681 -0.031 25642 4613 1 10 . 1 1 105 105 VAL N N 105 125.510 125.510 116.441 9.069 25642 4614 1 10 . 1 1 105 105 VAL C C 105 174.530 174.530 174.284 0.246 25642 4615 1 10 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.052 0.868 25642 4616 1 10 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.645 -0.645 25642 4617 1 10 . 1 1 105 105 VAL H H 105 8.670 8.670 8.540 0.130 25642 4618 1 10 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.553 0.497 25642 4619 1 10 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.052 0.688 25642 4620 1 10 . 1 1 106 106 ARG H H 106 8.560 8.560 8.566 -0.006 25642 4621 1 10 . 1 1 107 107 LEU N N 107 125.820 125.820 127.030 -1.210 25642 4622 1 10 . 1 1 107 107 LEU C C 107 176.190 176.190 175.449 0.741 25642 4623 1 10 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.644 -1.074 25642 4624 1 10 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.723 0.407 25642 4625 1 10 . 1 1 107 107 LEU H H 107 8.730 8.730 8.363 0.367 25642 4626 1 10 . 1 1 108 108 TYR N N 108 120.870 120.870 124.044 -3.174 25642 4627 1 10 . 1 1 108 108 TYR C C 108 178.880 178.880 177.155 1.725 25642 4628 1 10 . 1 1 108 108 TYR CA C 108 59.530 59.530 57.703 1.827 25642 4629 1 10 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.444 -0.664 25642 4630 1 10 . 1 1 108 108 TYR H H 108 8.280 8.280 7.855 0.425 25642 4631 1 10 . 1 1 109 109 GLY N N 109 112.380 112.380 109.794 2.586 25642 4632 1 10 . 1 1 109 109 GLY C C 109 172.330 172.330 175.458 -3.128 25642 4633 1 10 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.804 1.476 25642 4634 1 10 . 1 1 109 109 GLY H H 109 10.080 10.080 8.683 1.397 25642 4635 1 10 . 1 1 110 110 THR N N 110 103.280 103.280 118.574 -15.294 25642 4636 1 10 . 1 1 110 110 THR C C 110 175.370 175.370 174.547 0.823 25642 4637 1 10 . 1 1 110 110 THR CA C 110 61.220 61.220 62.780 -1.560 25642 4638 1 10 . 1 1 110 110 THR CB C 110 70.160 70.160 67.693 2.467 25642 4639 1 10 . 1 1 110 110 THR H H 110 6.910 6.910 8.535 -1.625 25642 4640 1 10 . 1 1 111 111 SER N N 111 118.040 118.040 117.767 0.273 25642 4641 1 10 . 1 1 111 111 SER C C 111 174.740 174.740 173.718 1.022 25642 4642 1 10 . 1 1 111 111 SER CA C 111 59.070 59.070 59.798 -0.728 25642 4643 1 10 . 1 1 111 111 SER CB C 111 67.870 67.870 64.057 3.813 25642 4644 1 10 . 1 1 111 111 SER H H 111 7.960 7.960 8.001 -0.041 25642 4645 1 10 . 1 1 112 112 TYR N N 112 124.220 124.220 129.057 -4.837 25642 4646 1 10 . 1 1 112 112 TYR C C 112 174.090 174.090 173.684 0.406 25642 4647 1 10 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.480 0.930 25642 4648 1 10 . 1 1 112 112 TYR CB C 112 41.690 41.690 41.635 0.056 25642 4649 1 10 . 1 1 112 112 TYR H H 112 8.720 8.720 8.204 0.516 25642 4650 1 10 . 1 1 113 113 VAL N N 113 129.090 129.090 128.292 0.798 25642 4651 1 10 . 1 1 113 113 VAL C C 113 173.870 173.870 173.892 -0.022 25642 4652 1 10 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.444 0.596 25642 4653 1 10 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.720 1.210 25642 4654 1 10 . 1 1 113 113 VAL H H 113 9.640 9.640 7.781 1.859 25642 4655 1 10 . 1 1 114 114 ASP N N 114 127.460 127.460 126.148 1.312 25642 4656 1 10 . 1 1 114 114 ASP C C 114 176.250 176.250 175.253 0.997 25642 4657 1 10 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.734 -1.264 25642 4658 1 10 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.998 0.223 25642 4659 1 10 . 1 1 114 114 ASP H H 114 8.630 8.630 7.828 0.802 25642 4660 1 10 . 1 1 115 115 GLY N N 115 113.040 113.040 111.710 1.330 25642 4661 1 10 . 1 1 115 115 GLY C C 115 171.140 171.140 172.327 -1.187 25642 4662 1 10 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.891 0.259 25642 4663 1 10 . 1 1 115 115 GLY H H 115 8.880 8.880 8.013 0.867 25642 4664 1 10 . 1 1 116 116 ASP N N 116 117.450 117.450 122.710 -5.260 25642 4665 1 10 . 1 1 116 116 ASP C C 116 176.850 176.850 175.774 1.076 25642 4666 1 10 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.797 -0.437 25642 4667 1 10 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.889 0.481 25642 4668 1 10 . 1 1 116 116 ASP H H 116 7.390 7.390 8.014 -0.624 25642 4669 1 10 . 1 1 117 117 ILE N N 117 121.440 121.440 126.427 -4.987 25642 4670 1 10 . 1 1 117 117 ILE C C 117 176.780 176.780 174.931 1.849 25642 4671 1 10 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.108 0.612 25642 4672 1 10 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.085 -2.455 25642 4673 1 10 . 1 1 117 117 ILE H H 117 9.200 9.200 8.131 1.069 25642 4674 1 10 . 1 1 118 118 THR N N 118 131.550 131.550 122.363 9.187 25642 4675 1 10 . 1 1 118 118 THR C C 118 173.630 173.630 172.852 0.778 25642 4676 1 10 . 1 1 118 118 THR CA C 118 62.110 62.110 61.687 0.423 25642 4677 1 10 . 1 1 118 118 THR CB C 118 67.860 67.860 69.749 -1.889 25642 4678 1 10 . 1 1 118 118 THR H H 118 9.560 9.560 8.373 1.187 25642 4679 1 10 . 1 1 119 119 HIS N N 119 121.300 121.300 122.534 -1.234 25642 4680 1 10 . 1 1 119 119 HIS C C 119 174.780 174.780 174.186 0.594 25642 4681 1 10 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.638 2.212 25642 4682 1 10 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.877 -0.327 25642 4683 1 10 . 1 1 119 119 HIS H H 119 8.290 8.290 8.045 0.245 25642 4684 1 10 . 1 1 120 120 GLU N N 120 118.130 118.130 119.162 -1.032 25642 4685 1 10 . 1 1 120 120 GLU C C 120 177.120 177.120 176.866 0.254 25642 4686 1 10 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.032 1.748 25642 4687 1 10 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.773 -0.473 25642 4688 1 10 . 1 1 120 120 GLU H H 120 7.710 7.710 8.393 -0.683 25642 4689 1 10 . 1 1 121 121 GLN N N 121 117.670 117.670 118.741 -1.071 25642 4690 1 10 . 1 1 121 121 GLN C C 121 172.760 172.760 173.995 -1.235 25642 4691 1 10 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.807 1.073 25642 4692 1 10 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.615 0.965 25642 4693 1 10 . 1 1 121 121 GLN H H 121 8.950 8.950 7.921 1.029 25642 4694 1 10 . 1 1 122 122 LEU N N 122 126.250 126.250 119.447 6.803 25642 4695 1 10 . 1 1 122 122 LEU C C 122 173.300 173.300 175.439 -2.139 25642 4696 1 10 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.272 0.548 25642 4697 1 10 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.599 0.851 25642 4698 1 10 . 1 1 122 122 LEU H H 122 8.660 8.660 8.387 0.273 25642 4699 1 10 . 1 1 123 123 ALA N N 123 126.670 126.670 127.880 -1.210 25642 4700 1 10 . 1 1 123 123 ALA C C 123 175.940 175.940 176.081 -0.141 25642 4701 1 10 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.165 -1.595 25642 4702 1 10 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.406 0.944 25642 4703 1 10 . 1 1 123 123 ALA H H 123 8.090 8.090 8.799 -0.709 25642 4704 1 10 . 1 1 124 124 MET N N 124 119.800 119.800 122.316 -2.516 25642 4705 1 10 . 1 1 124 124 MET C C 124 174.960 174.960 175.694 -0.734 25642 4706 1 10 . 1 1 124 124 MET CA C 124 54.770 54.770 53.753 1.017 25642 4707 1 10 . 1 1 124 124 MET CB C 124 37.620 37.620 31.966 5.654 25642 4708 1 10 . 1 1 124 124 MET H H 124 8.810 8.810 8.684 0.126 25642 4709 1 10 . 1 1 125 125 GLU N N 125 125.500 125.500 125.555 -0.055 25642 4710 1 10 . 1 1 125 125 GLU C C 125 175.410 175.410 175.731 -0.321 25642 4711 1 10 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.321 0.349 25642 4712 1 10 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.182 -0.672 25642 4713 1 10 . 1 1 125 125 GLU H H 125 8.760 8.760 8.299 0.461 25642 4714 1 10 . 1 1 126 126 THR N N 126 118.440 118.440 119.041 -0.601 25642 4715 1 10 . 1 1 126 126 THR C C 126 174.300 174.300 174.566 -0.266 25642 4716 1 10 . 1 1 126 126 THR CA C 126 65.870 65.870 64.586 1.284 25642 4717 1 10 . 1 1 126 126 THR CB C 126 69.050 69.050 69.046 0.004 25642 4718 1 10 . 1 1 127 127 GLY N N 127 116.970 116.970 111.141 5.829 25642 4719 1 10 . 1 1 127 127 GLY C C 127 175.320 175.320 172.935 2.385 25642 4720 1 10 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.879 0.121 25642 4721 1 10 . 1 1 128 128 ALA N N 128 124.190 124.190 123.379 0.811 25642 4722 1 10 . 1 1 128 128 ALA C C 128 177.670 177.670 175.992 1.678 25642 4723 1 10 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.344 2.296 25642 4724 1 10 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.848 -0.098 25642 4725 1 10 . 1 1 128 128 ALA H H 128 7.930 7.930 7.283 0.647 25642 4726 1 10 . 1 1 129 129 PHE N N 129 127.300 127.300 126.613 0.687 25642 4727 1 10 . 1 1 129 129 PHE C C 129 173.400 173.400 173.604 -0.204 25642 4728 1 10 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.942 -0.052 25642 4729 1 10 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.861 -1.341 25642 4730 1 10 . 1 1 129 129 PHE H H 129 8.550 8.550 9.106 -0.556 25642 4731 1 10 . 1 1 130 130 PHE N N 130 131.220 131.220 120.867 10.353 25642 4732 1 10 . 1 1 130 130 PHE C C 130 173.550 173.550 174.511 -0.961 25642 4733 1 10 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.630 -2.260 25642 4734 1 10 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.750 -0.290 25642 4735 1 10 . 1 1 130 130 PHE H H 130 8.860 8.860 7.996 0.864 25642 4736 1 10 . 1 1 131 131 GLN N N 131 130.230 130.230 123.670 6.560 25642 4737 1 10 . 1 1 131 131 GLN C C 131 173.350 173.350 175.000 -1.650 25642 4738 1 10 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.888 -1.468 25642 4739 1 10 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.171 2.829 25642 4740 1 10 . 1 1 131 131 GLN H H 131 8.840 8.840 8.370 0.470 25642 4741 1 10 . 1 1 132 132 GLY N N 132 112.460 112.460 108.712 3.748 25642 4742 1 10 . 1 1 132 132 GLY C C 132 172.750 172.750 172.894 -0.144 25642 4743 1 10 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.081 -0.611 25642 4744 1 10 . 1 1 133 133 ARG N N 133 119.950 119.950 120.553 -0.603 25642 4745 1 10 . 1 1 133 133 ARG C C 133 173.910 173.910 175.163 -1.253 25642 4746 1 10 . 1 1 133 133 ARG CA C 133 55.870 55.870 54.751 1.119 25642 4747 1 10 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.341 1.849 25642 4748 1 10 . 1 1 133 133 ARG H H 133 8.470 8.470 8.132 0.338 25642 4749 1 10 . 1 1 134 134 SER N N 134 119.120 119.120 119.968 -0.848 25642 4750 1 10 . 1 1 134 134 SER C C 134 174.260 174.260 174.304 -0.044 25642 4751 1 10 . 1 1 134 134 SER CA C 134 57.140 57.140 57.556 -0.416 25642 4752 1 10 . 1 1 134 134 SER CB C 134 63.450 63.450 64.166 -0.716 25642 4753 1 10 . 1 1 134 134 SER H H 134 8.680 8.680 8.576 0.104 25642 4754 1 10 . 1 1 135 135 LEU N N 135 127.740 127.740 129.353 -1.613 25642 4755 1 10 . 1 1 135 135 LEU C C 135 174.990 174.990 175.759 -0.769 25642 4756 1 10 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.069 -0.849 25642 4757 1 10 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.667 2.513 25642 4758 1 10 . 1 1 135 135 LEU H H 135 8.560 8.560 8.474 0.086 25642 4759 1 10 . 1 1 136 136 LYS N N 136 118.190 118.190 123.055 -4.865 25642 4760 1 10 . 1 1 136 136 LYS C C 136 178.030 178.030 176.094 1.936 25642 4761 1 10 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.895 -2.835 25642 4762 1 10 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.159 -1.149 25642 4763 1 10 . 1 1 136 136 LYS H H 136 8.180 8.180 8.366 -0.186 25642 4764 1 10 . 1 1 137 137 PHE N N 137 121.570 121.570 124.945 -3.375 25642 4765 1 10 . 1 1 137 137 PHE C C 137 176.370 176.370 175.940 0.430 25642 4766 1 10 . 1 1 137 137 PHE CA C 137 58.940 58.940 59.547 -0.608 25642 4767 1 10 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.310 0.420 25642 4768 1 10 . 1 1 137 137 PHE H H 137 7.800 7.800 8.590 -0.790 25642 4769 1 10 . 1 1 138 138 GLN N N 138 123.070 123.070 122.807 0.263 25642 4770 1 10 . 1 1 138 138 GLN H H 138 8.560 8.560 8.121 0.439 25642 4771 1 11 . 1 1 38 38 VAL C C 38 175.900 175.900 175.608 0.292 25642 4772 1 11 . 1 1 39 39 ALA N N 39 130.020 130.020 123.111 6.909 25642 4773 1 11 . 1 1 39 39 ALA C C 39 177.440 177.440 177.092 0.348 25642 4774 1 11 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.100 1.280 25642 4775 1 11 . 1 1 39 39 ALA CB C 39 19.820 19.820 19.704 0.116 25642 4776 1 11 . 1 1 39 39 ALA H H 39 8.200 8.200 7.629 0.571 25642 4777 1 11 . 1 1 40 40 SER N N 40 115.080 115.080 120.680 -5.600 25642 4778 1 11 . 1 1 40 40 SER C C 40 173.460 173.460 173.082 0.378 25642 4779 1 11 . 1 1 40 40 SER CA C 40 60.040 60.040 56.978 3.062 25642 4780 1 11 . 1 1 40 40 SER CB C 40 66.420 66.420 64.572 1.848 25642 4781 1 11 . 1 1 40 40 SER H H 40 7.970 7.970 8.317 -0.347 25642 4782 1 11 . 1 1 41 41 LEU N N 41 127.860 127.860 126.795 1.065 25642 4783 1 11 . 1 1 41 41 LEU C C 41 174.130 174.130 176.920 -2.790 25642 4784 1 11 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.245 0.416 25642 4785 1 11 . 1 1 41 41 LEU CB C 41 46.300 46.300 42.790 3.510 25642 4786 1 11 . 1 1 41 41 LEU H H 41 9.490 9.490 8.728 0.762 25642 4787 1 11 . 1 1 42 42 LEU N N 42 126.730 126.730 127.722 -0.992 25642 4788 1 11 . 1 1 42 42 LEU C C 42 175.120 175.120 176.364 -1.244 25642 4789 1 11 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.657 -0.947 25642 4790 1 11 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.810 -2.350 25642 4791 1 11 . 1 1 42 42 LEU H H 42 8.640 8.640 8.533 0.107 25642 4792 1 11 . 1 1 43 43 SER N N 43 123.530 123.530 119.808 3.722 25642 4793 1 11 . 1 1 43 43 SER C C 43 172.810 172.810 175.468 -2.658 25642 4794 1 11 . 1 1 43 43 SER CA C 43 58.990 58.990 59.406 -0.416 25642 4795 1 11 . 1 1 43 43 SER CB C 43 64.200 64.200 63.844 0.356 25642 4796 1 11 . 1 1 43 43 SER H H 43 9.060 9.060 8.922 0.138 25642 4797 1 11 . 1 1 44 44 ALA N N 44 119.250 119.250 121.342 -2.092 25642 4798 1 11 . 1 1 44 44 ALA C C 44 177.720 177.720 177.969 -0.249 25642 4799 1 11 . 1 1 44 44 ALA CA C 44 54.000 54.000 54.059 -0.058 25642 4800 1 11 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.077 -0.347 25642 4801 1 11 . 1 1 44 44 ALA H H 44 8.490 8.490 8.459 0.031 25642 4802 1 11 . 1 1 45 45 ASP N N 45 114.450 114.450 116.010 -1.560 25642 4803 1 11 . 1 1 45 45 ASP C C 45 175.800 175.800 175.393 0.407 25642 4804 1 11 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.335 -0.355 25642 4805 1 11 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.711 1.969 25642 4806 1 11 . 1 1 45 45 ASP H H 45 8.080 8.080 8.356 -0.276 25642 4807 1 11 . 1 1 46 46 LEU N N 46 122.200 122.200 121.589 0.611 25642 4808 1 11 . 1 1 46 46 LEU C C 46 176.290 176.290 176.026 0.264 25642 4809 1 11 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.750 -0.130 25642 4810 1 11 . 1 1 46 46 LEU CB C 46 45.960 45.960 42.493 3.467 25642 4811 1 11 . 1 1 46 46 LEU H H 46 7.860 7.860 7.226 0.634 25642 4812 1 11 . 1 1 47 47 THR N N 47 119.850 119.850 117.187 2.663 25642 4813 1 11 . 1 1 47 47 THR C C 47 174.140 174.140 174.327 -0.187 25642 4814 1 11 . 1 1 47 47 THR CA C 47 61.650 61.650 60.476 1.174 25642 4815 1 11 . 1 1 47 47 THR CB C 47 71.210 71.210 70.278 0.932 25642 4816 1 11 . 1 1 47 47 THR H H 47 9.000 9.000 8.370 0.630 25642 4817 1 11 . 1 1 48 48 ILE N N 48 128.090 128.090 129.167 -1.077 25642 4818 1 11 . 1 1 48 48 ILE C C 48 174.810 174.810 175.113 -0.303 25642 4819 1 11 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.467 -1.317 25642 4820 1 11 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.078 1.032 25642 4821 1 11 . 1 1 48 48 ILE H H 48 9.330 9.330 8.191 1.139 25642 4822 1 11 . 1 1 49 49 GLU N N 49 129.080 129.080 126.070 3.010 25642 4823 1 11 . 1 1 49 49 GLU C C 49 175.160 175.160 176.985 -1.825 25642 4824 1 11 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.717 -1.217 25642 4825 1 11 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.042 -1.682 25642 4826 1 11 . 1 1 49 49 GLU H H 49 8.830 8.830 8.596 0.234 25642 4827 1 11 . 1 1 50 50 GLY N N 50 114.250 114.250 116.047 -1.797 25642 4828 1 11 . 1 1 50 50 GLY C C 50 170.510 170.510 173.585 -3.075 25642 4829 1 11 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.211 -0.151 25642 4830 1 11 . 1 1 50 50 GLY H H 50 8.320 8.320 8.667 -0.347 25642 4831 1 11 . 1 1 51 51 GLY N N 51 102.740 102.740 108.806 -6.066 25642 4832 1 11 . 1 1 51 51 GLY C C 51 174.230 174.230 172.923 1.307 25642 4833 1 11 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.355 -0.475 25642 4834 1 11 . 1 1 51 51 GLY H H 51 8.000 8.000 7.725 0.275 25642 4835 1 11 . 1 1 52 52 VAL N N 52 122.770 122.770 124.844 -2.074 25642 4836 1 11 . 1 1 52 52 VAL C C 52 175.290 175.290 174.712 0.578 25642 4837 1 11 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.032 1.138 25642 4838 1 11 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.090 0.860 25642 4839 1 11 . 1 1 52 52 VAL H H 52 8.550 8.550 8.331 0.219 25642 4840 1 11 . 1 1 53 53 THR N N 53 121.860 121.860 119.283 2.577 25642 4841 1 11 . 1 1 53 53 THR C C 53 173.790 173.790 174.058 -0.268 25642 4842 1 11 . 1 1 53 53 THR CA C 53 60.580 60.580 60.461 0.119 25642 4843 1 11 . 1 1 53 53 THR CB C 53 72.310 72.310 70.287 2.023 25642 4844 1 11 . 1 1 53 53 THR H H 53 9.150 9.150 8.310 0.840 25642 4845 1 11 . 1 1 54 54 GLY N N 54 112.960 112.960 112.654 0.306 25642 4846 1 11 . 1 1 54 54 GLY C C 54 172.530 172.530 172.139 0.391 25642 4847 1 11 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.158 0.712 25642 4848 1 11 . 1 1 54 54 GLY H H 54 9.080 9.080 8.185 0.895 25642 4849 1 11 . 1 1 55 55 GLU N N 55 118.200 118.200 117.468 0.732 25642 4850 1 11 . 1 1 55 55 GLU C C 55 177.350 177.350 174.273 3.077 25642 4851 1 11 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.817 0.283 25642 4852 1 11 . 1 1 55 55 GLU CB C 55 31.140 31.140 29.654 1.486 25642 4853 1 11 . 1 1 55 55 GLU H H 55 8.790 8.790 8.655 0.135 25642 4854 1 11 . 1 1 56 56 GLY N N 56 109.740 109.740 108.620 1.120 25642 4855 1 11 . 1 1 56 56 GLY C C 56 173.400 173.400 172.651 0.749 25642 4856 1 11 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.233 -0.543 25642 4857 1 11 . 1 1 56 56 GLY H H 56 8.580 8.580 8.000 0.580 25642 4858 1 11 . 1 1 57 57 GLU N N 57 122.180 122.180 121.198 0.982 25642 4859 1 11 . 1 1 57 57 GLU C C 57 175.970 175.970 174.986 0.984 25642 4860 1 11 . 1 1 57 57 GLU CA C 57 55.100 55.100 56.531 -1.431 25642 4861 1 11 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.160 1.610 25642 4862 1 11 . 1 1 57 57 GLU H H 57 8.810 8.810 8.440 0.370 25642 4863 1 11 . 1 1 58 58 LEU N N 58 126.040 126.040 129.062 -3.022 25642 4864 1 11 . 1 1 58 58 LEU C C 58 173.100 173.100 174.528 -1.428 25642 4865 1 11 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.647 0.033 25642 4866 1 11 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.300 2.140 25642 4867 1 11 . 1 1 58 58 LEU H H 58 8.720 8.720 8.720 0.000 25642 4868 1 11 . 1 1 59 59 GLN N N 59 127.940 127.940 128.972 -1.032 25642 4869 1 11 . 1 1 59 59 GLN C C 59 174.540 174.540 174.067 0.473 25642 4870 1 11 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.250 -0.410 25642 4871 1 11 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.706 0.084 25642 4872 1 11 . 1 1 59 59 GLN H H 59 8.400 8.400 8.311 0.089 25642 4873 1 11 . 1 1 60 60 ILE N N 60 124.610 124.610 127.309 -2.699 25642 4874 1 11 . 1 1 60 60 ILE C C 60 174.340 174.340 173.276 1.064 25642 4875 1 11 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.859 2.471 25642 4876 1 11 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.532 -0.782 25642 4877 1 11 . 1 1 60 60 ILE H H 60 9.100 9.100 8.345 0.755 25642 4878 1 11 . 1 1 61 61 ASP N N 61 127.350 127.350 126.052 1.298 25642 4879 1 11 . 1 1 61 61 ASP C C 61 176.210 176.210 174.759 1.451 25642 4880 1 11 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.026 0.874 25642 4881 1 11 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.610 1.870 25642 4882 1 11 . 1 1 61 61 ASP H H 61 9.070 9.070 8.210 0.860 25642 4883 1 11 . 1 1 62 62 GLY N N 62 110.340 110.340 107.259 3.081 25642 4884 1 11 . 1 1 62 62 GLY C C 62 170.870 170.870 172.422 -1.552 25642 4885 1 11 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.240 1.250 25642 4886 1 11 . 1 1 62 62 GLY H H 62 6.590 6.590 7.631 -1.041 25642 4887 1 11 . 1 1 63 63 VAL N N 63 122.570 122.570 116.489 6.081 25642 4888 1 11 . 1 1 63 63 VAL C C 63 176.030 176.030 174.884 1.146 25642 4889 1 11 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.539 0.471 25642 4890 1 11 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.465 1.385 25642 4891 1 11 . 1 1 63 63 VAL H H 63 8.070 8.070 7.744 0.326 25642 4892 1 11 . 1 1 64 64 VAL N N 64 125.470 125.470 129.328 -3.858 25642 4893 1 11 . 1 1 64 64 VAL C C 64 174.410 174.410 174.732 -0.322 25642 4894 1 11 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.785 -0.565 25642 4895 1 11 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.778 2.912 25642 4896 1 11 . 1 1 64 64 VAL H H 64 9.010 9.010 8.102 0.908 25642 4897 1 11 . 1 1 65 65 LYS N N 65 129.120 129.120 127.866 1.254 25642 4898 1 11 . 1 1 65 65 LYS C C 65 175.120 175.120 176.180 -1.060 25642 4899 1 11 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.618 -0.308 25642 4900 1 11 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.414 -2.974 25642 4901 1 11 . 1 1 65 65 LYS H H 65 9.150 9.150 7.870 1.280 25642 4902 1 11 . 1 1 66 66 GLY N N 66 115.020 115.020 113.457 1.563 25642 4903 1 11 . 1 1 66 66 GLY C C 66 170.210 170.210 173.006 -2.796 25642 4904 1 11 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.466 0.014 25642 4905 1 11 . 1 1 66 66 GLY H H 66 8.300 8.300 7.993 0.307 25642 4906 1 11 . 1 1 67 67 ASP N N 67 115.420 115.420 123.479 -8.059 25642 4907 1 11 . 1 1 67 67 ASP C C 67 176.920 176.920 176.243 0.677 25642 4908 1 11 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.726 -0.396 25642 4909 1 11 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.714 -0.764 25642 4910 1 11 . 1 1 67 67 ASP H H 67 7.690 7.690 8.214 -0.524 25642 4911 1 11 . 1 1 68 68 VAL N N 68 122.440 122.440 117.920 4.520 25642 4912 1 11 . 1 1 68 68 VAL C C 68 174.450 174.450 174.246 0.204 25642 4913 1 11 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.063 -0.093 25642 4914 1 11 . 1 1 68 68 VAL CB C 68 35.240 35.240 34.053 1.187 25642 4915 1 11 . 1 1 68 68 VAL H H 68 8.930 8.930 8.120 0.810 25642 4916 1 11 . 1 1 69 69 ARG N N 69 130.610 130.610 127.808 2.802 25642 4917 1 11 . 1 1 69 69 ARG C C 69 175.150 175.150 173.889 1.261 25642 4918 1 11 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.544 0.276 25642 4919 1 11 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.035 -1.035 25642 4920 1 11 . 1 1 69 69 ARG H H 69 9.110 9.110 8.658 0.452 25642 4921 1 11 . 1 1 70 70 VAL N N 70 114.530 114.530 123.635 -9.105 25642 4922 1 11 . 1 1 70 70 VAL C C 70 175.440 175.440 174.177 1.263 25642 4923 1 11 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.946 -2.546 25642 4924 1 11 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.513 -0.143 25642 4925 1 11 . 1 1 70 70 VAL H H 70 8.290 8.290 7.694 0.596 25642 4926 1 11 . 1 1 71 71 GLY N N 71 108.150 108.150 109.555 -1.405 25642 4927 1 11 . 1 1 71 71 GLY C C 71 174.710 174.710 173.341 1.369 25642 4928 1 11 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.444 1.456 25642 4929 1 11 . 1 1 71 71 GLY H H 71 8.110 8.110 8.636 -0.526 25642 4930 1 11 . 1 1 72 72 ARG N N 72 120.660 120.660 121.931 -1.271 25642 4931 1 11 . 1 1 72 72 ARG C C 72 173.620 173.620 174.094 -0.474 25642 4932 1 11 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.651 0.669 25642 4933 1 11 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.564 1.216 25642 4934 1 11 . 1 1 72 72 ARG H H 72 7.690 7.690 7.534 0.156 25642 4935 1 11 . 1 1 73 73 LEU N N 73 125.710 125.710 129.424 -3.714 25642 4936 1 11 . 1 1 73 73 LEU C C 73 175.230 175.230 174.518 0.712 25642 4937 1 11 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.876 -1.326 25642 4938 1 11 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.827 1.703 25642 4939 1 11 . 1 1 73 73 LEU H H 73 8.570 8.570 8.620 -0.050 25642 4940 1 11 . 1 1 74 74 THR N N 74 123.150 123.150 123.763 -0.613 25642 4941 1 11 . 1 1 74 74 THR C C 74 173.670 173.670 173.923 -0.253 25642 4942 1 11 . 1 1 74 74 THR CA C 74 61.480 61.480 61.279 0.201 25642 4943 1 11 . 1 1 74 74 THR CB C 74 70.710 70.710 69.994 0.716 25642 4944 1 11 . 1 1 74 74 THR H H 74 8.860 8.860 8.888 -0.028 25642 4945 1 11 . 1 1 75 75 VAL N N 75 127.890 127.890 128.028 -0.138 25642 4946 1 11 . 1 1 75 75 VAL C C 75 176.800 176.800 176.808 -0.008 25642 4947 1 11 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.398 -1.268 25642 4948 1 11 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.252 1.589 25642 4949 1 11 . 1 1 75 75 VAL H H 75 8.910 8.910 8.002 0.908 25642 4950 1 11 . 1 1 76 76 GLY N N 76 116.590 116.590 115.082 1.508 25642 4951 1 11 . 1 1 76 76 GLY C C 76 174.060 174.060 174.014 0.046 25642 4952 1 11 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.478 -0.248 25642 4953 1 11 . 1 1 76 76 GLY H H 76 8.980 8.980 8.855 0.125 25642 4954 1 11 . 1 1 77 77 GLU N N 77 121.140 121.140 119.370 1.770 25642 4955 1 11 . 1 1 77 77 GLU C C 77 178.620 178.620 178.610 0.010 25642 4956 1 11 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.280 2.220 25642 4957 1 11 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.864 0.256 25642 4958 1 11 . 1 1 77 77 GLU H H 77 9.260 9.260 8.690 0.570 25642 4959 1 11 . 1 1 78 78 THR N N 78 105.330 105.330 114.947 -9.617 25642 4960 1 11 . 1 1 78 78 THR C C 78 174.990 174.990 175.243 -0.253 25642 4961 1 11 . 1 1 78 78 THR CA C 78 62.040 62.040 63.818 -1.778 25642 4962 1 11 . 1 1 78 78 THR CB C 78 69.880 69.880 68.694 1.186 25642 4963 1 11 . 1 1 78 78 THR H H 78 8.010 8.010 8.044 -0.034 25642 4964 1 11 . 1 1 79 79 GLY N N 79 111.420 111.420 108.265 3.155 25642 4965 1 11 . 1 1 79 79 GLY C C 79 174.270 174.270 174.074 0.196 25642 4966 1 11 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.516 -0.266 25642 4967 1 11 . 1 1 79 79 GLY H H 79 8.240 8.240 8.446 -0.206 25642 4968 1 11 . 1 1 80 80 HIS N N 80 123.970 123.970 118.613 5.357 25642 4969 1 11 . 1 1 80 80 HIS C C 80 173.800 173.800 173.964 -0.164 25642 4970 1 11 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.062 -0.202 25642 4971 1 11 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.540 3.530 25642 4972 1 11 . 1 1 80 80 HIS H H 80 8.860 8.860 7.603 1.257 25642 4973 1 11 . 1 1 81 81 VAL N N 81 125.720 125.720 126.221 -0.501 25642 4974 1 11 . 1 1 81 81 VAL C C 81 174.580 174.580 173.543 1.037 25642 4975 1 11 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.278 -1.617 25642 4976 1 11 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.775 0.085 25642 4977 1 11 . 1 1 81 81 VAL H H 81 8.900 8.900 8.291 0.609 25642 4978 1 11 . 1 1 82 82 GLU N N 82 129.500 129.500 127.098 2.402 25642 4979 1 11 . 1 1 82 82 GLU C C 82 175.200 175.200 175.579 -0.379 25642 4980 1 11 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.008 -1.108 25642 4981 1 11 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.815 -1.945 25642 4982 1 11 . 1 1 82 82 GLU H H 82 9.270 9.270 8.731 0.539 25642 4983 1 11 . 1 1 83 83 GLY N N 83 114.070 114.070 111.860 2.210 25642 4984 1 11 . 1 1 83 83 GLY C C 83 171.310 171.310 171.920 -0.610 25642 4985 1 11 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.306 -0.356 25642 4986 1 11 . 1 1 83 83 GLY H H 83 8.450 8.450 8.086 0.364 25642 4987 1 11 . 1 1 84 84 SER N N 84 113.810 113.810 117.027 -3.217 25642 4988 1 11 . 1 1 84 84 SER C C 84 173.140 173.140 173.946 -0.806 25642 4989 1 11 . 1 1 84 84 SER CA C 84 57.720 57.720 56.868 0.852 25642 4990 1 11 . 1 1 84 84 SER CB C 84 64.950 64.950 63.877 1.073 25642 4991 1 11 . 1 1 84 84 SER H H 84 8.320 8.320 8.133 0.187 25642 4992 1 11 . 1 1 85 85 VAL N N 85 121.060 121.060 128.286 -7.226 25642 4993 1 11 . 1 1 85 85 VAL C C 85 174.960 174.960 174.190 0.770 25642 4994 1 11 . 1 1 85 85 VAL CA C 85 60.420 60.420 62.036 -1.616 25642 4995 1 11 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.157 1.742 25642 4996 1 11 . 1 1 85 85 VAL H H 85 8.730 8.730 7.986 0.744 25642 4997 1 11 . 1 1 86 86 TYR N N 86 129.090 129.090 125.693 3.397 25642 4998 1 11 . 1 1 86 86 TYR C C 86 174.420 174.420 174.505 -0.085 25642 4999 1 11 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.608 -0.148 25642 5000 1 11 . 1 1 86 86 TYR CB C 86 40.850 40.850 41.136 -0.286 25642 5001 1 11 . 1 1 86 86 TYR H H 86 9.580 9.580 8.622 0.958 25642 5002 1 11 . 1 1 87 87 ALA N N 87 122.670 122.670 125.773 -3.103 25642 5003 1 11 . 1 1 87 87 ALA C C 87 177.320 177.320 176.372 0.948 25642 5004 1 11 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.587 -0.327 25642 5005 1 11 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.572 0.878 25642 5006 1 11 . 1 1 87 87 ALA H H 87 8.080 8.080 8.326 -0.246 25642 5007 1 11 . 1 1 88 88 GLU N N 88 120.180 120.180 119.881 0.299 25642 5008 1 11 . 1 1 88 88 GLU C C 88 177.310 177.310 176.330 0.980 25642 5009 1 11 . 1 1 88 88 GLU CA C 88 59.190 59.190 59.031 0.159 25642 5010 1 11 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.007 -1.357 25642 5011 1 11 . 1 1 88 88 GLU H H 88 8.640 8.640 8.517 0.123 25642 5012 1 11 . 1 1 89 89 ALA N N 89 118.770 118.770 119.241 -0.471 25642 5013 1 11 . 1 1 89 89 ALA C C 89 175.890 175.890 175.097 0.793 25642 5014 1 11 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.269 1.241 25642 5015 1 11 . 1 1 89 89 ALA CB C 89 22.270 22.270 23.191 -0.921 25642 5016 1 11 . 1 1 89 89 ALA H H 89 7.340 7.340 7.928 -0.588 25642 5017 1 11 . 1 1 90 90 VAL N N 90 119.720 119.720 121.915 -2.195 25642 5018 1 11 . 1 1 90 90 VAL C C 90 174.710 174.710 173.677 1.033 25642 5019 1 11 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.780 -0.260 25642 5020 1 11 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.529 0.461 25642 5021 1 11 . 1 1 90 90 VAL H H 90 8.490 8.490 8.071 0.419 25642 5022 1 11 . 1 1 91 91 GLU N N 91 128.200 128.200 129.994 -1.794 25642 5023 1 11 . 1 1 91 91 GLU C C 91 175.470 175.470 175.667 -0.197 25642 5024 1 11 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.616 0.174 25642 5025 1 11 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.484 1.196 25642 5026 1 11 . 1 1 91 91 GLU H H 91 9.070 9.070 8.697 0.373 25642 5027 1 11 . 1 1 92 92 VAL N N 92 122.080 122.080 124.742 -2.662 25642 5028 1 11 . 1 1 92 92 VAL C C 92 174.490 174.490 175.386 -0.896 25642 5029 1 11 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.389 0.271 25642 5030 1 11 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.231 0.859 25642 5031 1 11 . 1 1 92 92 VAL H H 92 9.450 9.450 8.107 1.343 25642 5032 1 11 . 1 1 93 93 ARG N N 93 123.900 123.900 124.657 -0.757 25642 5033 1 11 . 1 1 93 93 ARG C C 93 176.280 176.280 174.940 1.340 25642 5034 1 11 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.348 0.942 25642 5035 1 11 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.720 -0.830 25642 5036 1 11 . 1 1 93 93 ARG H H 93 9.200 9.200 8.266 0.934 25642 5037 1 11 . 1 1 94 94 GLY N N 94 111.100 111.100 105.693 5.407 25642 5038 1 11 . 1 1 94 94 GLY C C 94 170.710 170.710 172.062 -1.352 25642 5039 1 11 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.103 0.687 25642 5040 1 11 . 1 1 94 94 GLY H H 94 6.250 6.250 8.031 -1.781 25642 5041 1 11 . 1 1 95 95 ARG N N 95 126.190 126.190 120.155 6.035 25642 5042 1 11 . 1 1 95 95 ARG C C 95 175.570 175.570 174.433 1.137 25642 5043 1 11 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.134 -0.464 25642 5044 1 11 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.790 1.130 25642 5045 1 11 . 1 1 95 95 ARG H H 95 8.140 8.140 8.039 0.101 25642 5046 1 11 . 1 1 96 96 VAL N N 96 124.800 124.800 123.249 1.551 25642 5047 1 11 . 1 1 96 96 VAL C C 96 174.070 174.070 173.280 0.790 25642 5048 1 11 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.981 1.179 25642 5049 1 11 . 1 1 96 96 VAL CB C 96 35.860 35.860 34.969 0.891 25642 5050 1 11 . 1 1 96 96 VAL H H 96 9.430 9.430 9.062 0.368 25642 5051 1 11 . 1 1 97 97 VAL N N 97 128.010 128.010 127.268 0.742 25642 5052 1 11 . 1 1 97 97 VAL C C 97 176.430 176.430 174.910 1.520 25642 5053 1 11 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.508 0.573 25642 5054 1 11 . 1 1 97 97 VAL CB C 97 33.630 33.630 32.664 0.966 25642 5055 1 11 . 1 1 97 97 VAL H H 97 9.260 9.260 8.873 0.387 25642 5056 1 11 . 1 1 98 98 GLY N N 98 116.340 116.340 116.065 0.275 25642 5057 1 11 . 1 1 98 98 GLY C C 98 171.770 171.770 172.030 -0.260 25642 5058 1 11 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.355 -0.465 25642 5059 1 11 . 1 1 98 98 GLY H H 98 8.600 8.600 8.298 0.302 25642 5060 1 11 . 1 1 99 99 ALA N N 99 124.110 124.110 123.243 0.867 25642 5061 1 11 . 1 1 99 99 ALA C C 99 176.060 176.060 174.862 1.198 25642 5062 1 11 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.745 -0.055 25642 5063 1 11 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.207 -0.507 25642 5064 1 11 . 1 1 99 99 ALA H H 99 8.110 8.110 7.677 0.433 25642 5065 1 11 . 1 1 100 100 ILE N N 100 119.340 119.340 115.836 3.504 25642 5066 1 11 . 1 1 100 100 ILE C C 100 174.770 174.770 173.616 1.154 25642 5067 1 11 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.766 0.854 25642 5068 1 11 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.829 0.491 25642 5069 1 11 . 1 1 100 100 ILE H H 100 8.910 8.910 8.111 0.799 25642 5070 1 11 . 1 1 101 101 THR N N 101 127.010 127.010 121.337 5.673 25642 5071 1 11 . 1 1 101 101 THR C C 101 173.980 173.980 173.890 0.090 25642 5072 1 11 . 1 1 101 101 THR CA C 101 61.620 61.620 60.914 0.706 25642 5073 1 11 . 1 1 101 101 THR CB C 101 69.700 69.700 70.539 -0.839 25642 5074 1 11 . 1 1 101 101 THR H H 101 8.950 8.950 8.408 0.542 25642 5075 1 11 . 1 1 102 102 SER N N 102 119.870 119.870 120.947 -1.077 25642 5076 1 11 . 1 1 102 102 SER C C 102 174.000 174.000 173.589 0.411 25642 5077 1 11 . 1 1 102 102 SER CA C 102 56.190 56.190 57.255 -1.065 25642 5078 1 11 . 1 1 102 102 SER CB C 102 64.710 64.710 67.331 -2.621 25642 5079 1 11 . 1 1 102 102 SER H H 102 8.800 8.800 8.157 0.643 25642 5080 1 11 . 1 1 103 103 LYS N N 103 124.650 124.650 120.615 4.035 25642 5081 1 11 . 1 1 103 103 LYS C C 103 177.200 177.200 175.974 1.226 25642 5082 1 11 . 1 1 103 103 LYS CA C 103 61.300 61.300 56.492 4.808 25642 5083 1 11 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.617 -1.107 25642 5084 1 11 . 1 1 103 103 LYS H H 103 7.560 7.560 8.363 -0.803 25642 5085 1 11 . 1 1 104 104 GLN N N 104 115.370 115.370 117.024 -1.654 25642 5086 1 11 . 1 1 104 104 GLN C C 104 174.650 174.650 173.525 1.125 25642 5087 1 11 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.976 -0.116 25642 5088 1 11 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.033 -1.153 25642 5089 1 11 . 1 1 104 104 GLN H H 104 7.650 7.650 7.805 -0.155 25642 5090 1 11 . 1 1 105 105 VAL N N 105 125.510 125.510 120.482 5.028 25642 5091 1 11 . 1 1 105 105 VAL C C 105 174.530 174.530 174.013 0.517 25642 5092 1 11 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.024 0.896 25642 5093 1 11 . 1 1 105 105 VAL CB C 105 35.000 35.000 34.571 0.429 25642 5094 1 11 . 1 1 105 105 VAL H H 105 8.670 8.670 8.188 0.482 25642 5095 1 11 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.788 1.262 25642 5096 1 11 . 1 1 106 106 ARG CB C 106 33.740 33.740 31.695 2.045 25642 5097 1 11 . 1 1 106 106 ARG H H 106 8.560 8.560 8.700 -0.140 25642 5098 1 11 . 1 1 107 107 LEU N N 107 125.820 125.820 126.575 -0.755 25642 5099 1 11 . 1 1 107 107 LEU C C 107 176.190 176.190 175.236 0.954 25642 5100 1 11 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.487 -0.917 25642 5101 1 11 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.188 0.942 25642 5102 1 11 . 1 1 107 107 LEU H H 107 8.730 8.730 8.318 0.412 25642 5103 1 11 . 1 1 108 108 TYR N N 108 120.870 120.870 123.632 -2.762 25642 5104 1 11 . 1 1 108 108 TYR C C 108 178.880 178.880 177.220 1.660 25642 5105 1 11 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.560 0.970 25642 5106 1 11 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.334 -0.554 25642 5107 1 11 . 1 1 108 108 TYR H H 108 8.280 8.280 7.768 0.512 25642 5108 1 11 . 1 1 109 109 GLY N N 109 112.380 112.380 110.080 2.300 25642 5109 1 11 . 1 1 109 109 GLY C C 109 172.330 172.330 175.661 -3.331 25642 5110 1 11 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.815 1.465 25642 5111 1 11 . 1 1 109 109 GLY H H 109 10.080 10.080 8.793 1.287 25642 5112 1 11 . 1 1 110 110 THR N N 110 103.280 103.280 117.746 -14.466 25642 5113 1 11 . 1 1 110 110 THR C C 110 175.370 175.370 174.802 0.568 25642 5114 1 11 . 1 1 110 110 THR CA C 110 61.220 61.220 61.174 0.046 25642 5115 1 11 . 1 1 110 110 THR CB C 110 70.160 70.160 67.972 2.188 25642 5116 1 11 . 1 1 110 110 THR H H 110 6.910 6.910 8.565 -1.655 25642 5117 1 11 . 1 1 111 111 SER N N 111 118.040 118.040 117.955 0.085 25642 5118 1 11 . 1 1 111 111 SER C C 111 174.740 174.740 173.680 1.060 25642 5119 1 11 . 1 1 111 111 SER CA C 111 59.070 59.070 59.693 -0.623 25642 5120 1 11 . 1 1 111 111 SER CB C 111 67.870 67.870 63.929 3.941 25642 5121 1 11 . 1 1 111 111 SER H H 111 7.960 7.960 7.991 -0.031 25642 5122 1 11 . 1 1 112 112 TYR N N 112 124.220 124.220 129.431 -5.211 25642 5123 1 11 . 1 1 112 112 TYR C C 112 174.090 174.090 173.897 0.193 25642 5124 1 11 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.705 0.705 25642 5125 1 11 . 1 1 112 112 TYR CB C 112 41.690 41.690 41.788 -0.098 25642 5126 1 11 . 1 1 112 112 TYR H H 112 8.720 8.720 8.169 0.551 25642 5127 1 11 . 1 1 113 113 VAL N N 113 129.090 129.090 128.574 0.516 25642 5128 1 11 . 1 1 113 113 VAL C C 113 173.870 173.870 173.996 -0.126 25642 5129 1 11 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.216 0.824 25642 5130 1 11 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.028 1.902 25642 5131 1 11 . 1 1 113 113 VAL H H 113 9.640 9.640 8.432 1.208 25642 5132 1 11 . 1 1 114 114 ASP N N 114 127.460 127.460 125.909 1.551 25642 5133 1 11 . 1 1 114 114 ASP C C 114 176.250 176.250 175.328 0.922 25642 5134 1 11 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.770 -1.300 25642 5135 1 11 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.882 0.338 25642 5136 1 11 . 1 1 114 114 ASP H H 114 8.630 8.630 7.986 0.644 25642 5137 1 11 . 1 1 115 115 GLY N N 115 113.040 113.040 111.130 1.910 25642 5138 1 11 . 1 1 115 115 GLY C C 115 171.140 171.140 172.385 -1.245 25642 5139 1 11 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.955 0.195 25642 5140 1 11 . 1 1 115 115 GLY H H 115 8.880 8.880 8.025 0.855 25642 5141 1 11 . 1 1 116 116 ASP N N 116 117.450 117.450 122.792 -5.342 25642 5142 1 11 . 1 1 116 116 ASP C C 116 176.850 176.850 175.502 1.348 25642 5143 1 11 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.441 -0.081 25642 5144 1 11 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.267 0.103 25642 5145 1 11 . 1 1 116 116 ASP H H 116 7.390 7.390 8.018 -0.628 25642 5146 1 11 . 1 1 117 117 ILE N N 117 121.440 121.440 124.763 -3.323 25642 5147 1 11 . 1 1 117 117 ILE C C 117 176.780 176.780 174.835 1.945 25642 5148 1 11 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.850 0.870 25642 5149 1 11 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.995 -2.365 25642 5150 1 11 . 1 1 117 117 ILE H H 117 9.200 9.200 7.969 1.231 25642 5151 1 11 . 1 1 118 118 THR N N 118 131.550 131.550 120.747 10.803 25642 5152 1 11 . 1 1 118 118 THR C C 118 173.630 173.630 172.987 0.643 25642 5153 1 11 . 1 1 118 118 THR CA C 118 62.110 62.110 61.769 0.341 25642 5154 1 11 . 1 1 118 118 THR CB C 118 67.860 67.860 69.892 -2.033 25642 5155 1 11 . 1 1 118 118 THR H H 118 9.560 9.560 8.141 1.419 25642 5156 1 11 . 1 1 119 119 HIS N N 119 121.300 121.300 121.549 -0.249 25642 5157 1 11 . 1 1 119 119 HIS C C 119 174.780 174.780 173.557 1.223 25642 5158 1 11 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.537 2.313 25642 5159 1 11 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.454 0.096 25642 5160 1 11 . 1 1 119 119 HIS H H 119 8.290 8.290 8.367 -0.077 25642 5161 1 11 . 1 1 120 120 GLU N N 120 118.130 118.130 117.768 0.362 25642 5162 1 11 . 1 1 120 120 GLU C C 120 177.120 177.120 176.126 0.994 25642 5163 1 11 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.289 2.491 25642 5164 1 11 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.862 -0.562 25642 5165 1 11 . 1 1 120 120 GLU H H 120 7.710 7.710 8.571 -0.861 25642 5166 1 11 . 1 1 121 121 GLN N N 121 117.670 117.670 117.447 0.223 25642 5167 1 11 . 1 1 121 121 GLN C C 121 172.760 172.760 173.949 -1.189 25642 5168 1 11 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.555 1.325 25642 5169 1 11 . 1 1 121 121 GLN CB C 121 32.580 32.580 32.141 0.439 25642 5170 1 11 . 1 1 121 121 GLN H H 121 8.950 8.950 7.532 1.418 25642 5171 1 11 . 1 1 122 122 LEU N N 122 126.250 126.250 117.296 8.954 25642 5172 1 11 . 1 1 122 122 LEU C C 122 173.300 173.300 175.128 -1.828 25642 5173 1 11 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.641 0.179 25642 5174 1 11 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.714 -0.264 25642 5175 1 11 . 1 1 122 122 LEU H H 122 8.660 8.660 8.282 0.378 25642 5176 1 11 . 1 1 123 123 ALA N N 123 126.670 126.670 124.520 2.150 25642 5177 1 11 . 1 1 123 123 ALA C C 123 175.940 175.940 175.433 0.507 25642 5178 1 11 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.736 -2.166 25642 5179 1 11 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.388 -0.038 25642 5180 1 11 . 1 1 123 123 ALA H H 123 8.090 8.090 8.725 -0.635 25642 5181 1 11 . 1 1 124 124 MET N N 124 119.800 119.800 121.681 -1.881 25642 5182 1 11 . 1 1 124 124 MET C C 124 174.960 174.960 175.076 -0.116 25642 5183 1 11 . 1 1 124 124 MET CA C 124 54.770 54.770 54.764 0.007 25642 5184 1 11 . 1 1 124 124 MET CB C 124 37.620 37.620 35.171 2.449 25642 5185 1 11 . 1 1 124 124 MET H H 124 8.810 8.810 8.548 0.262 25642 5186 1 11 . 1 1 125 125 GLU N N 125 125.500 125.500 121.479 4.021 25642 5187 1 11 . 1 1 125 125 GLU C C 125 175.410 175.410 175.417 -0.007 25642 5188 1 11 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.831 0.839 25642 5189 1 11 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.948 -0.438 25642 5190 1 11 . 1 1 125 125 GLU H H 125 8.760 8.760 8.408 0.352 25642 5191 1 11 . 1 1 126 126 THR N N 126 118.440 118.440 114.881 3.559 25642 5192 1 11 . 1 1 126 126 THR C C 126 174.300 174.300 175.466 -1.166 25642 5193 1 11 . 1 1 126 126 THR CA C 126 65.870 65.870 64.731 1.139 25642 5194 1 11 . 1 1 126 126 THR CB C 126 69.050 69.050 69.216 -0.165 25642 5195 1 11 . 1 1 127 127 GLY N N 127 116.970 116.970 112.990 3.980 25642 5196 1 11 . 1 1 127 127 GLY C C 127 175.320 175.320 172.842 2.478 25642 5197 1 11 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.428 -0.428 25642 5198 1 11 . 1 1 128 128 ALA N N 128 124.190 124.190 122.822 1.368 25642 5199 1 11 . 1 1 128 128 ALA C C 128 177.670 177.670 175.727 1.943 25642 5200 1 11 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.447 2.193 25642 5201 1 11 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.485 0.265 25642 5202 1 11 . 1 1 128 128 ALA H H 128 7.930 7.930 7.232 0.698 25642 5203 1 11 . 1 1 129 129 PHE N N 129 127.300 127.300 124.534 2.766 25642 5204 1 11 . 1 1 129 129 PHE C C 129 173.400 173.400 173.445 -0.045 25642 5205 1 11 . 1 1 129 129 PHE CA C 129 56.890 56.890 57.064 -0.174 25642 5206 1 11 . 1 1 129 129 PHE CB C 129 40.520 40.520 42.018 -1.498 25642 5207 1 11 . 1 1 129 129 PHE H H 129 8.550 8.550 8.870 -0.320 25642 5208 1 11 . 1 1 130 130 PHE N N 130 131.220 131.220 125.447 5.773 25642 5209 1 11 . 1 1 130 130 PHE C C 130 173.550 173.550 174.091 -0.541 25642 5210 1 11 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.827 -2.457 25642 5211 1 11 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.778 -0.318 25642 5212 1 11 . 1 1 130 130 PHE H H 130 8.860 8.860 8.909 -0.049 25642 5213 1 11 . 1 1 131 131 GLN N N 131 130.230 130.230 127.761 2.469 25642 5214 1 11 . 1 1 131 131 GLN C C 131 173.350 173.350 174.392 -1.042 25642 5215 1 11 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.678 -1.258 25642 5216 1 11 . 1 1 131 131 GLN CB C 131 33.000 33.000 31.069 1.931 25642 5217 1 11 . 1 1 131 131 GLN H H 131 8.840 8.840 8.358 0.482 25642 5218 1 11 . 1 1 132 132 GLY N N 132 112.460 112.460 108.059 4.401 25642 5219 1 11 . 1 1 132 132 GLY C C 132 172.750 172.750 172.585 0.165 25642 5220 1 11 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.033 -0.563 25642 5221 1 11 . 1 1 133 133 ARG N N 133 119.950 119.950 121.287 -1.337 25642 5222 1 11 . 1 1 133 133 ARG C C 133 173.910 173.910 175.778 -1.868 25642 5223 1 11 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.761 0.109 25642 5224 1 11 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.581 1.609 25642 5225 1 11 . 1 1 133 133 ARG H H 133 8.470 8.470 8.215 0.255 25642 5226 1 11 . 1 1 134 134 SER N N 134 119.120 119.120 120.505 -1.385 25642 5227 1 11 . 1 1 134 134 SER C C 134 174.260 174.260 173.812 0.448 25642 5228 1 11 . 1 1 134 134 SER CA C 134 57.140 57.140 57.891 -0.751 25642 5229 1 11 . 1 1 134 134 SER CB C 134 63.450 63.450 64.911 -1.461 25642 5230 1 11 . 1 1 134 134 SER H H 134 8.680 8.680 8.449 0.231 25642 5231 1 11 . 1 1 135 135 LEU N N 135 127.740 127.740 124.696 3.044 25642 5232 1 11 . 1 1 135 135 LEU C C 135 174.990 174.990 175.772 -0.782 25642 5233 1 11 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.267 -1.047 25642 5234 1 11 . 1 1 135 135 LEU CB C 135 45.180 45.180 43.735 1.445 25642 5235 1 11 . 1 1 135 135 LEU H H 135 8.560 8.560 8.322 0.238 25642 5236 1 11 . 1 1 136 136 LYS N N 136 118.190 118.190 126.064 -7.874 25642 5237 1 11 . 1 1 136 136 LYS C C 136 178.030 178.030 176.225 1.805 25642 5238 1 11 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.623 -3.563 25642 5239 1 11 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.704 -0.694 25642 5240 1 11 . 1 1 136 136 LYS H H 136 8.180 8.180 8.441 -0.261 25642 5241 1 11 . 1 1 137 137 PHE N N 137 121.570 121.570 123.248 -1.678 25642 5242 1 11 . 1 1 137 137 PHE C C 137 176.370 176.370 176.196 0.174 25642 5243 1 11 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.659 1.281 25642 5244 1 11 . 1 1 137 137 PHE CB C 137 39.730 39.730 38.953 0.777 25642 5245 1 11 . 1 1 137 137 PHE H H 137 7.800 7.800 8.590 -0.790 25642 5246 1 11 . 1 1 138 138 GLN N N 138 123.070 123.070 124.411 -1.341 25642 5247 1 11 . 1 1 138 138 GLN H H 138 8.560 8.560 8.550 0.010 25642 5248 1 12 . 1 1 38 38 VAL C C 38 175.900 175.900 175.248 0.652 25642 5249 1 12 . 1 1 39 39 ALA N N 39 130.020 130.020 129.544 0.476 25642 5250 1 12 . 1 1 39 39 ALA C C 39 177.440 177.440 176.208 1.232 25642 5251 1 12 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.272 1.108 25642 5252 1 12 . 1 1 39 39 ALA CB C 39 19.820 19.820 21.292 -1.472 25642 5253 1 12 . 1 1 39 39 ALA H H 39 8.200 8.200 8.431 -0.231 25642 5254 1 12 . 1 1 40 40 SER N N 40 115.080 115.080 118.724 -3.644 25642 5255 1 12 . 1 1 40 40 SER C C 40 173.460 173.460 173.245 0.215 25642 5256 1 12 . 1 1 40 40 SER CA C 40 60.040 60.040 56.552 3.488 25642 5257 1 12 . 1 1 40 40 SER CB C 40 66.420 66.420 64.772 1.648 25642 5258 1 12 . 1 1 40 40 SER H H 40 7.970 7.970 8.336 -0.366 25642 5259 1 12 . 1 1 41 41 LEU N N 41 127.860 127.860 124.127 3.733 25642 5260 1 12 . 1 1 41 41 LEU C C 41 174.130 174.130 175.995 -1.865 25642 5261 1 12 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.852 0.808 25642 5262 1 12 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.488 1.812 25642 5263 1 12 . 1 1 41 41 LEU H H 41 9.490 9.490 8.485 1.005 25642 5264 1 12 . 1 1 42 42 LEU N N 42 126.730 126.730 125.405 1.325 25642 5265 1 12 . 1 1 42 42 LEU C C 42 175.120 175.120 176.662 -1.542 25642 5266 1 12 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.531 -0.821 25642 5267 1 12 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.180 -1.720 25642 5268 1 12 . 1 1 42 42 LEU H H 42 8.640 8.640 8.104 0.536 25642 5269 1 12 . 1 1 43 43 SER N N 43 123.530 123.530 120.999 2.531 25642 5270 1 12 . 1 1 43 43 SER C C 43 172.810 172.810 175.168 -2.358 25642 5271 1 12 . 1 1 43 43 SER CA C 43 58.990 58.990 58.240 0.750 25642 5272 1 12 . 1 1 43 43 SER CB C 43 64.200 64.200 65.049 -0.849 25642 5273 1 12 . 1 1 43 43 SER H H 43 9.060 9.060 8.480 0.580 25642 5274 1 12 . 1 1 44 44 ALA N N 44 119.250 119.250 120.322 -1.072 25642 5275 1 12 . 1 1 44 44 ALA C C 44 177.720 177.720 178.410 -0.690 25642 5276 1 12 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.704 0.296 25642 5277 1 12 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.283 -0.553 25642 5278 1 12 . 1 1 44 44 ALA H H 44 8.490 8.490 8.336 0.154 25642 5279 1 12 . 1 1 45 45 ASP N N 45 114.450 114.450 117.700 -3.250 25642 5280 1 12 . 1 1 45 45 ASP C C 45 175.800 175.800 175.058 0.742 25642 5281 1 12 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.646 -0.666 25642 5282 1 12 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.235 1.445 25642 5283 1 12 . 1 1 45 45 ASP H H 45 8.080 8.080 7.901 0.179 25642 5284 1 12 . 1 1 46 46 LEU N N 46 122.200 122.200 121.696 0.504 25642 5285 1 12 . 1 1 46 46 LEU C C 46 176.290 176.290 175.409 0.881 25642 5286 1 12 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.062 0.558 25642 5287 1 12 . 1 1 46 46 LEU CB C 46 45.960 45.960 42.954 3.006 25642 5288 1 12 . 1 1 46 46 LEU H H 46 7.860 7.860 7.294 0.566 25642 5289 1 12 . 1 1 47 47 THR N N 47 119.850 119.850 118.664 1.186 25642 5290 1 12 . 1 1 47 47 THR C C 47 174.140 174.140 174.212 -0.072 25642 5291 1 12 . 1 1 47 47 THR CA C 47 61.650 61.650 60.189 1.461 25642 5292 1 12 . 1 1 47 47 THR CB C 47 71.210 71.210 69.904 1.306 25642 5293 1 12 . 1 1 47 47 THR H H 47 9.000 9.000 8.367 0.633 25642 5294 1 12 . 1 1 48 48 ILE N N 48 128.090 128.090 128.173 -0.083 25642 5295 1 12 . 1 1 48 48 ILE C C 48 174.810 174.810 175.316 -0.506 25642 5296 1 12 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.633 -0.482 25642 5297 1 12 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.453 1.657 25642 5298 1 12 . 1 1 48 48 ILE H H 48 9.330 9.330 8.176 1.154 25642 5299 1 12 . 1 1 49 49 GLU N N 49 129.080 129.080 123.599 5.481 25642 5300 1 12 . 1 1 49 49 GLU C C 49 175.160 175.160 177.062 -1.902 25642 5301 1 12 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.368 -0.868 25642 5302 1 12 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.562 -3.202 25642 5303 1 12 . 1 1 49 49 GLU H H 49 8.830 8.830 8.370 0.460 25642 5304 1 12 . 1 1 50 50 GLY N N 50 114.250 114.250 114.202 0.048 25642 5305 1 12 . 1 1 50 50 GLY C C 50 170.510 170.510 173.282 -2.772 25642 5306 1 12 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.596 -0.536 25642 5307 1 12 . 1 1 50 50 GLY H H 50 8.320 8.320 8.378 -0.058 25642 5308 1 12 . 1 1 51 51 GLY N N 51 102.740 102.740 108.994 -6.254 25642 5309 1 12 . 1 1 51 51 GLY C C 51 174.230 174.230 173.140 1.090 25642 5310 1 12 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.369 -0.489 25642 5311 1 12 . 1 1 51 51 GLY H H 51 8.000 8.000 7.706 0.294 25642 5312 1 12 . 1 1 52 52 VAL N N 52 122.770 122.770 120.443 2.327 25642 5313 1 12 . 1 1 52 52 VAL C C 52 175.290 175.290 175.059 0.231 25642 5314 1 12 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.866 1.304 25642 5315 1 12 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.137 0.813 25642 5316 1 12 . 1 1 52 52 VAL H H 52 8.550 8.550 8.157 0.393 25642 5317 1 12 . 1 1 53 53 THR N N 53 121.860 121.860 116.326 5.534 25642 5318 1 12 . 1 1 53 53 THR C C 53 173.790 173.790 174.475 -0.685 25642 5319 1 12 . 1 1 53 53 THR CA C 53 60.580 60.580 59.849 0.731 25642 5320 1 12 . 1 1 53 53 THR CB C 53 72.310 72.310 70.880 1.430 25642 5321 1 12 . 1 1 53 53 THR H H 53 9.150 9.150 8.318 0.832 25642 5322 1 12 . 1 1 54 54 GLY N N 54 112.960 112.960 108.118 4.842 25642 5323 1 12 . 1 1 54 54 GLY C C 54 172.530 172.530 172.518 0.012 25642 5324 1 12 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.889 -0.019 25642 5325 1 12 . 1 1 54 54 GLY H H 54 9.080 9.080 8.046 1.034 25642 5326 1 12 . 1 1 55 55 GLU N N 55 118.200 118.200 120.174 -1.974 25642 5327 1 12 . 1 1 55 55 GLU C C 55 177.350 177.350 174.946 2.404 25642 5328 1 12 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.605 -0.505 25642 5329 1 12 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.108 1.032 25642 5330 1 12 . 1 1 55 55 GLU H H 55 8.790 8.790 8.667 0.123 25642 5331 1 12 . 1 1 56 56 GLY N N 56 109.740 109.740 109.638 0.102 25642 5332 1 12 . 1 1 56 56 GLY C C 56 173.400 173.400 172.418 0.982 25642 5333 1 12 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.450 -0.760 25642 5334 1 12 . 1 1 56 56 GLY H H 56 8.580 8.580 7.956 0.624 25642 5335 1 12 . 1 1 57 57 GLU N N 57 122.180 122.180 121.976 0.204 25642 5336 1 12 . 1 1 57 57 GLU C C 57 175.970 175.970 174.688 1.282 25642 5337 1 12 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.690 -0.590 25642 5338 1 12 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.509 0.261 25642 5339 1 12 . 1 1 57 57 GLU H H 57 8.810 8.810 8.234 0.576 25642 5340 1 12 . 1 1 58 58 LEU N N 58 126.040 126.040 128.847 -2.807 25642 5341 1 12 . 1 1 58 58 LEU C C 58 173.100 173.100 174.138 -1.038 25642 5342 1 12 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.083 -0.403 25642 5343 1 12 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.541 1.899 25642 5344 1 12 . 1 1 58 58 LEU H H 58 8.720 8.720 8.319 0.401 25642 5345 1 12 . 1 1 59 59 GLN N N 59 127.940 127.940 128.427 -0.487 25642 5346 1 12 . 1 1 59 59 GLN C C 59 174.540 174.540 174.134 0.406 25642 5347 1 12 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.161 -0.321 25642 5348 1 12 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.722 0.068 25642 5349 1 12 . 1 1 59 59 GLN H H 59 8.400 8.400 8.140 0.260 25642 5350 1 12 . 1 1 60 60 ILE N N 60 124.610 124.610 126.607 -1.997 25642 5351 1 12 . 1 1 60 60 ILE C C 60 174.340 174.340 173.152 1.188 25642 5352 1 12 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.292 2.038 25642 5353 1 12 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.406 -0.656 25642 5354 1 12 . 1 1 60 60 ILE H H 60 9.100 9.100 8.112 0.988 25642 5355 1 12 . 1 1 61 61 ASP N N 61 127.350 127.350 127.796 -0.446 25642 5356 1 12 . 1 1 61 61 ASP C C 61 176.210 176.210 175.067 1.143 25642 5357 1 12 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.247 0.653 25642 5358 1 12 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.357 1.123 25642 5359 1 12 . 1 1 61 61 ASP H H 61 9.070 9.070 8.178 0.892 25642 5360 1 12 . 1 1 62 62 GLY N N 62 110.340 110.340 107.344 2.996 25642 5361 1 12 . 1 1 62 62 GLY C C 62 170.870 170.870 171.788 -0.918 25642 5362 1 12 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.978 0.512 25642 5363 1 12 . 1 1 62 62 GLY H H 62 6.590 6.590 7.833 -1.243 25642 5364 1 12 . 1 1 63 63 VAL N N 63 122.570 122.570 120.032 2.538 25642 5365 1 12 . 1 1 63 63 VAL C C 63 176.030 176.030 174.581 1.449 25642 5366 1 12 . 1 1 63 63 VAL CA C 63 61.010 61.010 59.996 1.014 25642 5367 1 12 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.103 0.747 25642 5368 1 12 . 1 1 63 63 VAL H H 63 8.070 8.070 7.719 0.351 25642 5369 1 12 . 1 1 64 64 VAL N N 64 125.470 125.470 130.214 -4.744 25642 5370 1 12 . 1 1 64 64 VAL C C 64 174.410 174.410 174.669 -0.259 25642 5371 1 12 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.748 -0.527 25642 5372 1 12 . 1 1 64 64 VAL CB C 64 35.690 35.690 33.101 2.589 25642 5373 1 12 . 1 1 64 64 VAL H H 64 9.010 9.010 8.099 0.911 25642 5374 1 12 . 1 1 65 65 LYS N N 65 129.120 129.120 127.909 1.211 25642 5375 1 12 . 1 1 65 65 LYS C C 65 175.120 175.120 175.980 -0.860 25642 5376 1 12 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.262 0.048 25642 5377 1 12 . 1 1 65 65 LYS CB C 65 32.440 32.440 32.751 -0.311 25642 5378 1 12 . 1 1 65 65 LYS H H 65 9.150 9.150 8.049 1.101 25642 5379 1 12 . 1 1 66 66 GLY N N 66 115.020 115.020 111.922 3.098 25642 5380 1 12 . 1 1 66 66 GLY C C 66 170.210 170.210 172.187 -1.977 25642 5381 1 12 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.492 -1.012 25642 5382 1 12 . 1 1 66 66 GLY H H 66 8.300 8.300 8.005 0.295 25642 5383 1 12 . 1 1 67 67 ASP N N 67 115.420 115.420 121.229 -5.809 25642 5384 1 12 . 1 1 67 67 ASP C C 67 176.920 176.920 175.501 1.419 25642 5385 1 12 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.467 0.863 25642 5386 1 12 . 1 1 67 67 ASP CB C 67 41.950 41.950 44.327 -2.377 25642 5387 1 12 . 1 1 67 67 ASP H H 67 7.690 7.690 8.386 -0.696 25642 5388 1 12 . 1 1 68 68 VAL N N 68 122.440 122.440 117.378 5.062 25642 5389 1 12 . 1 1 68 68 VAL C C 68 174.450 174.450 174.146 0.304 25642 5390 1 12 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.989 -0.019 25642 5391 1 12 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.721 -0.481 25642 5392 1 12 . 1 1 68 68 VAL H H 68 8.930 8.930 8.048 0.882 25642 5393 1 12 . 1 1 69 69 ARG N N 69 130.610 130.610 127.652 2.958 25642 5394 1 12 . 1 1 69 69 ARG C C 69 175.150 175.150 173.953 1.197 25642 5395 1 12 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.605 0.215 25642 5396 1 12 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.997 -0.997 25642 5397 1 12 . 1 1 69 69 ARG H H 69 9.110 9.110 8.421 0.689 25642 5398 1 12 . 1 1 70 70 VAL N N 70 114.530 114.530 123.556 -9.026 25642 5399 1 12 . 1 1 70 70 VAL C C 70 175.440 175.440 173.812 1.628 25642 5400 1 12 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.262 -1.862 25642 5401 1 12 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.202 0.168 25642 5402 1 12 . 1 1 70 70 VAL H H 70 8.290 8.290 7.757 0.533 25642 5403 1 12 . 1 1 71 71 GLY N N 71 108.150 108.150 109.317 -1.167 25642 5404 1 12 . 1 1 71 71 GLY C C 71 174.710 174.710 173.814 0.896 25642 5405 1 12 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.425 1.475 25642 5406 1 12 . 1 1 71 71 GLY H H 71 8.110 8.110 8.542 -0.432 25642 5407 1 12 . 1 1 72 72 ARG N N 72 120.660 120.660 120.412 0.248 25642 5408 1 12 . 1 1 72 72 ARG C C 72 173.620 173.620 174.339 -0.719 25642 5409 1 12 . 1 1 72 72 ARG CA C 72 55.320 55.320 55.005 0.315 25642 5410 1 12 . 1 1 72 72 ARG CB C 72 33.780 33.780 33.494 0.286 25642 5411 1 12 . 1 1 72 72 ARG H H 72 7.690 7.690 7.923 -0.233 25642 5412 1 12 . 1 1 73 73 LEU N N 73 125.710 125.710 126.803 -1.093 25642 5413 1 12 . 1 1 73 73 LEU C C 73 175.230 175.230 174.725 0.505 25642 5414 1 12 . 1 1 73 73 LEU CA C 73 52.550 52.550 54.298 -1.748 25642 5415 1 12 . 1 1 73 73 LEU CB C 73 46.530 46.530 46.135 0.396 25642 5416 1 12 . 1 1 73 73 LEU H H 73 8.570 8.570 8.413 0.157 25642 5417 1 12 . 1 1 74 74 THR N N 74 123.150 123.150 124.278 -1.128 25642 5418 1 12 . 1 1 74 74 THR C C 74 173.670 173.670 173.097 0.573 25642 5419 1 12 . 1 1 74 74 THR CA C 74 61.480 61.480 61.306 0.174 25642 5420 1 12 . 1 1 74 74 THR CB C 74 70.710 70.710 71.066 -0.356 25642 5421 1 12 . 1 1 74 74 THR H H 74 8.860 8.860 8.391 0.469 25642 5422 1 12 . 1 1 75 75 VAL N N 75 127.890 127.890 125.314 2.576 25642 5423 1 12 . 1 1 75 75 VAL C C 75 176.800 176.800 175.921 0.879 25642 5424 1 12 . 1 1 75 75 VAL CA C 75 61.130 61.130 60.518 0.612 25642 5425 1 12 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.767 1.073 25642 5426 1 12 . 1 1 75 75 VAL H H 75 8.910 8.910 7.782 1.128 25642 5427 1 12 . 1 1 76 76 GLY N N 76 116.590 116.590 115.264 1.326 25642 5428 1 12 . 1 1 76 76 GLY C C 76 174.060 174.060 174.330 -0.270 25642 5429 1 12 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.300 -0.070 25642 5430 1 12 . 1 1 76 76 GLY H H 76 8.980 8.980 9.052 -0.072 25642 5431 1 12 . 1 1 77 77 GLU N N 77 121.140 121.140 118.487 2.653 25642 5432 1 12 . 1 1 77 77 GLU C C 77 178.620 178.620 178.289 0.331 25642 5433 1 12 . 1 1 77 77 GLU CA C 77 60.500 60.500 57.932 2.568 25642 5434 1 12 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.705 0.415 25642 5435 1 12 . 1 1 77 77 GLU H H 77 9.260 9.260 8.409 0.851 25642 5436 1 12 . 1 1 78 78 THR N N 78 105.330 105.330 109.341 -4.011 25642 5437 1 12 . 1 1 78 78 THR C C 78 174.990 174.990 175.803 -0.813 25642 5438 1 12 . 1 1 78 78 THR CA C 78 62.040 62.040 63.019 -0.979 25642 5439 1 12 . 1 1 78 78 THR CB C 78 69.880 69.880 68.514 1.366 25642 5440 1 12 . 1 1 78 78 THR H H 78 8.010 8.010 7.940 0.070 25642 5441 1 12 . 1 1 79 79 GLY N N 79 111.420 111.420 111.735 -0.315 25642 5442 1 12 . 1 1 79 79 GLY C C 79 174.270 174.270 173.799 0.471 25642 5443 1 12 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.949 -0.699 25642 5444 1 12 . 1 1 79 79 GLY H H 79 8.240 8.240 7.781 0.459 25642 5445 1 12 . 1 1 80 80 HIS N N 80 123.970 123.970 118.102 5.868 25642 5446 1 12 . 1 1 80 80 HIS C C 80 173.800 173.800 174.097 -0.297 25642 5447 1 12 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.534 -0.674 25642 5448 1 12 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.975 3.095 25642 5449 1 12 . 1 1 80 80 HIS H H 80 8.860 8.860 7.463 1.397 25642 5450 1 12 . 1 1 81 81 VAL N N 81 125.720 125.720 125.353 0.367 25642 5451 1 12 . 1 1 81 81 VAL C C 81 174.580 174.580 173.528 1.052 25642 5452 1 12 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.331 -1.671 25642 5453 1 12 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.718 0.142 25642 5454 1 12 . 1 1 81 81 VAL H H 81 8.900 8.900 8.287 0.613 25642 5455 1 12 . 1 1 82 82 GLU N N 82 129.500 129.500 127.466 2.034 25642 5456 1 12 . 1 1 82 82 GLU C C 82 175.200 175.200 175.696 -0.496 25642 5457 1 12 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.707 -0.807 25642 5458 1 12 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.883 -2.013 25642 5459 1 12 . 1 1 82 82 GLU H H 82 9.270 9.270 8.866 0.404 25642 5460 1 12 . 1 1 83 83 GLY N N 83 114.070 114.070 111.936 2.134 25642 5461 1 12 . 1 1 83 83 GLY C C 83 171.310 171.310 171.947 -0.637 25642 5462 1 12 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.651 -0.701 25642 5463 1 12 . 1 1 83 83 GLY H H 83 8.450 8.450 7.822 0.628 25642 5464 1 12 . 1 1 84 84 SER N N 84 113.810 113.810 116.546 -2.736 25642 5465 1 12 . 1 1 84 84 SER C C 84 173.140 173.140 174.302 -1.162 25642 5466 1 12 . 1 1 84 84 SER CA C 84 57.720 57.720 57.073 0.647 25642 5467 1 12 . 1 1 84 84 SER CB C 84 64.950 64.950 64.091 0.859 25642 5468 1 12 . 1 1 84 84 SER H H 84 8.320 8.320 8.091 0.229 25642 5469 1 12 . 1 1 85 85 VAL N N 85 121.060 121.060 126.513 -5.453 25642 5470 1 12 . 1 1 85 85 VAL C C 85 174.960 174.960 174.209 0.751 25642 5471 1 12 . 1 1 85 85 VAL CA C 85 60.420 60.420 62.282 -1.862 25642 5472 1 12 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.332 2.568 25642 5473 1 12 . 1 1 85 85 VAL H H 85 8.730 8.730 8.186 0.544 25642 5474 1 12 . 1 1 86 86 TYR N N 86 129.090 129.090 127.882 1.208 25642 5475 1 12 . 1 1 86 86 TYR C C 86 174.420 174.420 174.687 -0.267 25642 5476 1 12 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.409 0.051 25642 5477 1 12 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.028 0.822 25642 5478 1 12 . 1 1 86 86 TYR H H 86 9.580 9.580 8.463 1.117 25642 5479 1 12 . 1 1 87 87 ALA N N 87 122.670 122.670 126.238 -3.568 25642 5480 1 12 . 1 1 87 87 ALA C C 87 177.320 177.320 175.560 1.760 25642 5481 1 12 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.170 0.089 25642 5482 1 12 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.874 0.576 25642 5483 1 12 . 1 1 87 87 ALA H H 87 8.080 8.080 8.379 -0.299 25642 5484 1 12 . 1 1 88 88 GLU N N 88 120.180 120.180 118.771 1.409 25642 5485 1 12 . 1 1 88 88 GLU C C 88 177.310 177.310 176.211 1.099 25642 5486 1 12 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.097 1.093 25642 5487 1 12 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.543 -1.893 25642 5488 1 12 . 1 1 88 88 GLU H H 88 8.640 8.640 8.272 0.368 25642 5489 1 12 . 1 1 89 89 ALA N N 89 118.770 118.770 119.182 -0.412 25642 5490 1 12 . 1 1 89 89 ALA C C 89 175.890 175.890 174.975 0.915 25642 5491 1 12 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.687 0.823 25642 5492 1 12 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.668 -0.398 25642 5493 1 12 . 1 1 89 89 ALA H H 89 7.340 7.340 7.726 -0.386 25642 5494 1 12 . 1 1 90 90 VAL N N 90 119.720 119.720 116.500 3.220 25642 5495 1 12 . 1 1 90 90 VAL C C 90 174.710 174.710 174.014 0.696 25642 5496 1 12 . 1 1 90 90 VAL CA C 90 60.520 60.520 59.598 0.922 25642 5497 1 12 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.599 0.391 25642 5498 1 12 . 1 1 90 90 VAL H H 90 8.490 8.490 8.076 0.414 25642 5499 1 12 . 1 1 91 91 GLU N N 91 128.200 128.200 124.025 4.175 25642 5500 1 12 . 1 1 91 91 GLU C C 91 175.470 175.470 175.818 -0.348 25642 5501 1 12 . 1 1 91 91 GLU CA C 91 54.790 54.790 53.626 1.165 25642 5502 1 12 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.533 1.147 25642 5503 1 12 . 1 1 91 91 GLU H H 91 9.070 9.070 8.254 0.816 25642 5504 1 12 . 1 1 92 92 VAL N N 92 122.080 122.080 124.463 -2.383 25642 5505 1 12 . 1 1 92 92 VAL C C 92 174.490 174.490 175.396 -0.906 25642 5506 1 12 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.575 1.085 25642 5507 1 12 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.160 0.930 25642 5508 1 12 . 1 1 92 92 VAL H H 92 9.450 9.450 8.293 1.157 25642 5509 1 12 . 1 1 93 93 ARG N N 93 123.900 123.900 123.815 0.085 25642 5510 1 12 . 1 1 93 93 ARG C C 93 176.280 176.280 175.384 0.896 25642 5511 1 12 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.330 0.961 25642 5512 1 12 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.969 -1.079 25642 5513 1 12 . 1 1 93 93 ARG H H 93 9.200 9.200 8.175 1.025 25642 5514 1 12 . 1 1 94 94 GLY N N 94 111.100 111.100 105.899 5.201 25642 5515 1 12 . 1 1 94 94 GLY C C 94 170.710 170.710 171.775 -1.065 25642 5516 1 12 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.928 0.862 25642 5517 1 12 . 1 1 94 94 GLY H H 94 6.250 6.250 7.830 -1.580 25642 5518 1 12 . 1 1 95 95 ARG N N 95 126.190 126.190 121.333 4.857 25642 5519 1 12 . 1 1 95 95 ARG C C 95 175.570 175.570 174.193 1.377 25642 5520 1 12 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.796 -1.126 25642 5521 1 12 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.528 1.392 25642 5522 1 12 . 1 1 95 95 ARG H H 95 8.140 8.140 7.709 0.431 25642 5523 1 12 . 1 1 96 96 VAL N N 96 124.800 124.800 126.407 -1.607 25642 5524 1 12 . 1 1 96 96 VAL C C 96 174.070 174.070 173.088 0.982 25642 5525 1 12 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.473 1.687 25642 5526 1 12 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.696 0.165 25642 5527 1 12 . 1 1 96 96 VAL H H 96 9.430 9.430 8.963 0.467 25642 5528 1 12 . 1 1 97 97 VAL N N 97 128.010 128.010 123.215 4.795 25642 5529 1 12 . 1 1 97 97 VAL C C 97 176.430 176.430 174.250 2.180 25642 5530 1 12 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.278 1.802 25642 5531 1 12 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.705 -0.075 25642 5532 1 12 . 1 1 97 97 VAL H H 97 9.260 9.260 8.705 0.555 25642 5533 1 12 . 1 1 98 98 GLY N N 98 116.340 116.340 114.293 2.047 25642 5534 1 12 . 1 1 98 98 GLY C C 98 171.770 171.770 171.929 -0.159 25642 5535 1 12 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.247 -0.357 25642 5536 1 12 . 1 1 98 98 GLY H H 98 8.600 8.600 8.944 -0.344 25642 5537 1 12 . 1 1 99 99 ALA N N 99 124.110 124.110 123.023 1.087 25642 5538 1 12 . 1 1 99 99 ALA C C 99 176.060 176.060 174.535 1.525 25642 5539 1 12 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.367 0.323 25642 5540 1 12 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.582 -0.882 25642 5541 1 12 . 1 1 99 99 ALA H H 99 8.110 8.110 7.755 0.355 25642 5542 1 12 . 1 1 100 100 ILE N N 100 119.340 119.340 121.247 -1.907 25642 5543 1 12 . 1 1 100 100 ILE C C 100 174.770 174.770 173.410 1.360 25642 5544 1 12 . 1 1 100 100 ILE CA C 100 60.620 60.620 60.326 0.294 25642 5545 1 12 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.643 0.677 25642 5546 1 12 . 1 1 100 100 ILE H H 100 8.910 8.910 8.216 0.694 25642 5547 1 12 . 1 1 101 101 THR N N 101 127.010 127.010 125.370 1.640 25642 5548 1 12 . 1 1 101 101 THR C C 101 173.980 173.980 173.491 0.489 25642 5549 1 12 . 1 1 101 101 THR CA C 101 61.620 61.620 61.319 0.301 25642 5550 1 12 . 1 1 101 101 THR CB C 101 69.700 69.700 69.902 -0.202 25642 5551 1 12 . 1 1 101 101 THR H H 101 8.950 8.950 8.639 0.310 25642 5552 1 12 . 1 1 102 102 SER N N 102 119.870 119.870 121.599 -1.729 25642 5553 1 12 . 1 1 102 102 SER C C 102 174.000 174.000 174.095 -0.095 25642 5554 1 12 . 1 1 102 102 SER CA C 102 56.190 56.190 57.125 -0.935 25642 5555 1 12 . 1 1 102 102 SER CB C 102 64.710 64.710 66.042 -1.332 25642 5556 1 12 . 1 1 102 102 SER H H 102 8.800 8.800 8.620 0.180 25642 5557 1 12 . 1 1 103 103 LYS N N 103 124.650 124.650 120.224 4.426 25642 5558 1 12 . 1 1 103 103 LYS C C 103 177.200 177.200 176.447 0.753 25642 5559 1 12 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.946 3.354 25642 5560 1 12 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.401 -0.891 25642 5561 1 12 . 1 1 103 103 LYS H H 103 7.560 7.560 8.231 -0.671 25642 5562 1 12 . 1 1 104 104 GLN N N 104 115.370 115.370 115.254 0.116 25642 5563 1 12 . 1 1 104 104 GLN C C 104 174.650 174.650 174.132 0.518 25642 5564 1 12 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.027 0.833 25642 5565 1 12 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.347 -1.467 25642 5566 1 12 . 1 1 104 104 GLN H H 104 7.650 7.650 7.910 -0.260 25642 5567 1 12 . 1 1 105 105 VAL N N 105 125.510 125.510 122.806 2.704 25642 5568 1 12 . 1 1 105 105 VAL C C 105 174.530 174.530 173.399 1.131 25642 5569 1 12 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.350 0.570 25642 5570 1 12 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.399 -0.399 25642 5571 1 12 . 1 1 105 105 VAL H H 105 8.670 8.670 8.088 0.582 25642 5572 1 12 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.822 1.228 25642 5573 1 12 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.748 0.992 25642 5574 1 12 . 1 1 106 106 ARG H H 106 8.560 8.560 8.193 0.367 25642 5575 1 12 . 1 1 107 107 LEU N N 107 125.820 125.820 125.611 0.209 25642 5576 1 12 . 1 1 107 107 LEU C C 107 176.190 176.190 175.222 0.968 25642 5577 1 12 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.040 -0.470 25642 5578 1 12 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.557 0.573 25642 5579 1 12 . 1 1 107 107 LEU H H 107 8.730 8.730 8.470 0.260 25642 5580 1 12 . 1 1 108 108 TYR N N 108 120.870 120.870 123.637 -2.767 25642 5581 1 12 . 1 1 108 108 TYR C C 108 178.880 178.880 177.291 1.589 25642 5582 1 12 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.090 1.440 25642 5583 1 12 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.522 -0.742 25642 5584 1 12 . 1 1 108 108 TYR H H 108 8.280 8.280 8.380 -0.100 25642 5585 1 12 . 1 1 109 109 GLY N N 109 112.380 112.380 110.261 2.119 25642 5586 1 12 . 1 1 109 109 GLY C C 109 172.330 172.330 175.721 -3.391 25642 5587 1 12 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.816 1.464 25642 5588 1 12 . 1 1 109 109 GLY H H 109 10.080 10.080 8.904 1.176 25642 5589 1 12 . 1 1 110 110 THR N N 110 103.280 103.280 119.179 -15.899 25642 5590 1 12 . 1 1 110 110 THR C C 110 175.370 175.370 174.231 1.139 25642 5591 1 12 . 1 1 110 110 THR CA C 110 61.220 61.220 62.924 -1.704 25642 5592 1 12 . 1 1 110 110 THR CB C 110 70.160 70.160 67.694 2.466 25642 5593 1 12 . 1 1 110 110 THR H H 110 6.910 6.910 8.547 -1.637 25642 5594 1 12 . 1 1 111 111 SER N N 111 118.040 118.040 117.628 0.412 25642 5595 1 12 . 1 1 111 111 SER C C 111 174.740 174.740 173.413 1.327 25642 5596 1 12 . 1 1 111 111 SER CA C 111 59.070 59.070 60.218 -1.148 25642 5597 1 12 . 1 1 111 111 SER CB C 111 67.870 67.870 63.550 4.320 25642 5598 1 12 . 1 1 111 111 SER H H 111 7.960 7.960 8.085 -0.125 25642 5599 1 12 . 1 1 112 112 TYR N N 112 124.220 124.220 126.972 -2.752 25642 5600 1 12 . 1 1 112 112 TYR C C 112 174.090 174.090 173.795 0.295 25642 5601 1 12 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.330 0.080 25642 5602 1 12 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.419 -0.729 25642 5603 1 12 . 1 1 112 112 TYR H H 112 8.720 8.720 8.181 0.539 25642 5604 1 12 . 1 1 113 113 VAL N N 113 129.090 129.090 127.650 1.440 25642 5605 1 12 . 1 1 113 113 VAL C C 113 173.870 173.870 174.907 -1.037 25642 5606 1 12 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.220 0.820 25642 5607 1 12 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.284 1.646 25642 5608 1 12 . 1 1 113 113 VAL H H 113 9.640 9.640 8.020 1.620 25642 5609 1 12 . 1 1 114 114 ASP N N 114 127.460 127.460 126.555 0.905 25642 5610 1 12 . 1 1 114 114 ASP C C 114 176.250 176.250 175.624 0.626 25642 5611 1 12 . 1 1 114 114 ASP CA C 114 51.470 51.470 53.243 -1.773 25642 5612 1 12 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.585 -0.365 25642 5613 1 12 . 1 1 114 114 ASP H H 114 8.630 8.630 8.089 0.541 25642 5614 1 12 . 1 1 115 115 GLY N N 115 113.040 113.040 110.335 2.705 25642 5615 1 12 . 1 1 115 115 GLY C C 115 171.140 171.140 172.412 -1.272 25642 5616 1 12 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.998 0.152 25642 5617 1 12 . 1 1 115 115 GLY H H 115 8.880 8.880 8.335 0.545 25642 5618 1 12 . 1 1 116 116 ASP N N 116 117.450 117.450 123.286 -5.836 25642 5619 1 12 . 1 1 116 116 ASP C C 116 176.850 176.850 175.626 1.224 25642 5620 1 12 . 1 1 116 116 ASP CA C 116 53.360 53.360 54.205 -0.845 25642 5621 1 12 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.086 0.284 25642 5622 1 12 . 1 1 116 116 ASP H H 116 7.390 7.390 8.065 -0.675 25642 5623 1 12 . 1 1 117 117 ILE N N 117 121.440 121.440 125.701 -4.261 25642 5624 1 12 . 1 1 117 117 ILE C C 117 176.780 176.780 174.729 2.051 25642 5625 1 12 . 1 1 117 117 ILE CA C 117 60.720 60.720 60.181 0.539 25642 5626 1 12 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.523 -2.893 25642 5627 1 12 . 1 1 117 117 ILE H H 117 9.200 9.200 8.055 1.145 25642 5628 1 12 . 1 1 118 118 THR N N 118 131.550 131.550 122.809 8.741 25642 5629 1 12 . 1 1 118 118 THR C C 118 173.630 173.630 172.800 0.830 25642 5630 1 12 . 1 1 118 118 THR CA C 118 62.110 62.110 61.565 0.545 25642 5631 1 12 . 1 1 118 118 THR CB C 118 67.860 67.860 69.607 -1.747 25642 5632 1 12 . 1 1 118 118 THR H H 118 9.560 9.560 8.499 1.061 25642 5633 1 12 . 1 1 119 119 HIS N N 119 121.300 121.300 123.296 -1.996 25642 5634 1 12 . 1 1 119 119 HIS C C 119 174.780 174.780 174.391 0.389 25642 5635 1 12 . 1 1 119 119 HIS CA C 119 55.850 55.850 52.467 3.383 25642 5636 1 12 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.421 1.129 25642 5637 1 12 . 1 1 119 119 HIS H H 119 8.290 8.290 8.389 -0.099 25642 5638 1 12 . 1 1 120 120 GLU N N 120 118.130 118.130 120.013 -1.883 25642 5639 1 12 . 1 1 120 120 GLU C C 120 177.120 177.120 176.761 0.359 25642 5640 1 12 . 1 1 120 120 GLU CA C 120 58.780 58.780 58.444 0.336 25642 5641 1 12 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.711 -0.411 25642 5642 1 12 . 1 1 120 120 GLU H H 120 7.710 7.710 8.460 -0.750 25642 5643 1 12 . 1 1 121 121 GLN N N 121 117.670 117.670 116.921 0.749 25642 5644 1 12 . 1 1 121 121 GLN C C 121 172.760 172.760 174.074 -1.314 25642 5645 1 12 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.478 1.402 25642 5646 1 12 . 1 1 121 121 GLN CB C 121 32.580 32.580 30.708 1.872 25642 5647 1 12 . 1 1 121 121 GLN H H 121 8.950 8.950 7.850 1.100 25642 5648 1 12 . 1 1 122 122 LEU N N 122 126.250 126.250 119.879 6.371 25642 5649 1 12 . 1 1 122 122 LEU C C 122 173.300 173.300 175.932 -2.632 25642 5650 1 12 . 1 1 122 122 LEU CA C 122 53.820 53.820 52.853 0.966 25642 5651 1 12 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.992 0.459 25642 5652 1 12 . 1 1 122 122 LEU H H 122 8.660 8.660 8.318 0.342 25642 5653 1 12 . 1 1 123 123 ALA N N 123 126.670 126.670 125.357 1.313 25642 5654 1 12 . 1 1 123 123 ALA C C 123 175.940 175.940 175.625 0.315 25642 5655 1 12 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.548 -1.978 25642 5656 1 12 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.578 0.772 25642 5657 1 12 . 1 1 123 123 ALA H H 123 8.090 8.090 8.284 -0.194 25642 5658 1 12 . 1 1 124 124 MET N N 124 119.800 119.800 121.976 -2.176 25642 5659 1 12 . 1 1 124 124 MET C C 124 174.960 174.960 175.379 -0.419 25642 5660 1 12 . 1 1 124 124 MET CA C 124 54.770 54.770 54.004 0.766 25642 5661 1 12 . 1 1 124 124 MET CB C 124 37.620 37.620 33.965 3.655 25642 5662 1 12 . 1 1 124 124 MET H H 124 8.810 8.810 8.541 0.269 25642 5663 1 12 . 1 1 125 125 GLU N N 125 125.500 125.500 123.190 2.310 25642 5664 1 12 . 1 1 125 125 GLU C C 125 175.410 175.410 175.490 -0.080 25642 5665 1 12 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.257 0.413 25642 5666 1 12 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.325 -0.815 25642 5667 1 12 . 1 1 125 125 GLU H H 125 8.760 8.760 8.319 0.441 25642 5668 1 12 . 1 1 126 126 THR N N 126 118.440 118.440 115.872 2.568 25642 5669 1 12 . 1 1 126 126 THR C C 126 174.300 174.300 174.896 -0.596 25642 5670 1 12 . 1 1 126 126 THR CA C 126 65.870 65.870 64.739 1.131 25642 5671 1 12 . 1 1 126 126 THR CB C 126 69.050 69.050 69.146 -0.096 25642 5672 1 12 . 1 1 127 127 GLY N N 127 116.970 116.970 112.501 4.469 25642 5673 1 12 . 1 1 127 127 GLY C C 127 175.320 175.320 172.156 3.164 25642 5674 1 12 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.569 0.431 25642 5675 1 12 . 1 1 128 128 ALA N N 128 124.190 124.190 123.179 1.011 25642 5676 1 12 . 1 1 128 128 ALA C C 128 177.670 177.670 175.654 2.016 25642 5677 1 12 . 1 1 128 128 ALA CA C 128 53.640 53.640 50.994 2.646 25642 5678 1 12 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.468 0.282 25642 5679 1 12 . 1 1 128 128 ALA H H 128 7.930 7.930 7.007 0.923 25642 5680 1 12 . 1 1 129 129 PHE N N 129 127.300 127.300 124.966 2.334 25642 5681 1 12 . 1 1 129 129 PHE C C 129 173.400 173.400 173.361 0.039 25642 5682 1 12 . 1 1 129 129 PHE CA C 129 56.890 56.890 55.962 0.928 25642 5683 1 12 . 1 1 129 129 PHE CB C 129 40.520 40.520 40.193 0.327 25642 5684 1 12 . 1 1 129 129 PHE H H 129 8.550 8.550 8.365 0.185 25642 5685 1 12 . 1 1 130 130 PHE N N 130 131.220 131.220 120.492 10.728 25642 5686 1 12 . 1 1 130 130 PHE C C 130 173.550 173.550 174.342 -0.792 25642 5687 1 12 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.571 -2.200 25642 5688 1 12 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.244 -0.784 25642 5689 1 12 . 1 1 130 130 PHE H H 130 8.860 8.860 7.881 0.979 25642 5690 1 12 . 1 1 131 131 GLN N N 131 130.230 130.230 125.293 4.937 25642 5691 1 12 . 1 1 131 131 GLN C C 131 173.350 173.350 174.842 -1.492 25642 5692 1 12 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.879 -1.459 25642 5693 1 12 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.351 2.649 25642 5694 1 12 . 1 1 131 131 GLN H H 131 8.840 8.840 8.493 0.347 25642 5695 1 12 . 1 1 132 132 GLY N N 132 112.460 112.460 111.053 1.407 25642 5696 1 12 . 1 1 132 132 GLY C C 132 172.750 172.750 172.608 0.142 25642 5697 1 12 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.929 -0.459 25642 5698 1 12 . 1 1 133 133 ARG N N 133 119.950 119.950 118.812 1.138 25642 5699 1 12 . 1 1 133 133 ARG C C 133 173.910 173.910 176.020 -2.110 25642 5700 1 12 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.606 0.264 25642 5701 1 12 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.086 2.104 25642 5702 1 12 . 1 1 133 133 ARG H H 133 8.470 8.470 8.169 0.301 25642 5703 1 12 . 1 1 134 134 SER N N 134 119.120 119.120 119.529 -0.409 25642 5704 1 12 . 1 1 134 134 SER C C 134 174.260 174.260 174.065 0.195 25642 5705 1 12 . 1 1 134 134 SER CA C 134 57.140 57.140 58.181 -1.041 25642 5706 1 12 . 1 1 134 134 SER CB C 134 63.450 63.450 64.339 -0.889 25642 5707 1 12 . 1 1 134 134 SER H H 134 8.680 8.680 8.580 0.100 25642 5708 1 12 . 1 1 135 135 LEU N N 135 127.740 127.740 127.025 0.715 25642 5709 1 12 . 1 1 135 135 LEU C C 135 174.990 174.990 176.302 -1.312 25642 5710 1 12 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.165 -0.945 25642 5711 1 12 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.281 2.899 25642 5712 1 12 . 1 1 135 135 LEU H H 135 8.560 8.560 8.882 -0.322 25642 5713 1 12 . 1 1 136 136 LYS N N 136 118.190 118.190 123.320 -5.130 25642 5714 1 12 . 1 1 136 136 LYS C C 136 178.030 178.030 176.248 1.782 25642 5715 1 12 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.648 -3.588 25642 5716 1 12 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.169 -1.159 25642 5717 1 12 . 1 1 136 136 LYS H H 136 8.180 8.180 8.419 -0.239 25642 5718 1 12 . 1 1 137 137 PHE N N 137 121.570 121.570 120.323 1.247 25642 5719 1 12 . 1 1 137 137 PHE C C 137 176.370 176.370 176.407 -0.037 25642 5720 1 12 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.975 0.965 25642 5721 1 12 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.205 0.525 25642 5722 1 12 . 1 1 137 137 PHE H H 137 7.800 7.800 8.102 -0.302 25642 5723 1 12 . 1 1 138 138 GLN N N 138 123.070 123.070 122.519 0.551 25642 5724 1 12 . 1 1 138 138 GLN H H 138 8.560 8.560 8.866 -0.306 25642 5725 1 13 . 1 1 38 38 VAL C C 38 175.900 175.900 175.889 0.011 25642 5726 1 13 . 1 1 39 39 ALA N N 39 130.020 130.020 117.924 12.096 25642 5727 1 13 . 1 1 39 39 ALA C C 39 177.440 177.440 175.760 1.680 25642 5728 1 13 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.489 0.892 25642 5729 1 13 . 1 1 39 39 ALA CB C 39 19.820 19.820 22.054 -2.234 25642 5730 1 13 . 1 1 39 39 ALA H H 39 8.200 8.200 7.578 0.622 25642 5731 1 13 . 1 1 40 40 SER N N 40 115.080 115.080 113.511 1.569 25642 5732 1 13 . 1 1 40 40 SER C C 40 173.460 173.460 172.671 0.789 25642 5733 1 13 . 1 1 40 40 SER CA C 40 60.040 60.040 57.729 2.311 25642 5734 1 13 . 1 1 40 40 SER CB C 40 66.420 66.420 66.539 -0.119 25642 5735 1 13 . 1 1 40 40 SER H H 40 7.970 7.970 8.289 -0.319 25642 5736 1 13 . 1 1 41 41 LEU N N 41 127.860 127.860 123.825 4.035 25642 5737 1 13 . 1 1 41 41 LEU C C 41 174.130 174.130 176.395 -2.265 25642 5738 1 13 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.279 0.381 25642 5739 1 13 . 1 1 41 41 LEU CB C 41 46.300 46.300 42.754 3.546 25642 5740 1 13 . 1 1 41 41 LEU H H 41 9.490 9.490 8.600 0.890 25642 5741 1 13 . 1 1 42 42 LEU N N 42 126.730 126.730 128.643 -1.913 25642 5742 1 13 . 1 1 42 42 LEU C C 42 175.120 175.120 176.273 -1.153 25642 5743 1 13 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.810 -1.101 25642 5744 1 13 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.037 -0.577 25642 5745 1 13 . 1 1 42 42 LEU H H 42 8.640 8.640 8.641 -0.001 25642 5746 1 13 . 1 1 43 43 SER N N 43 123.530 123.530 121.509 2.021 25642 5747 1 13 . 1 1 43 43 SER C C 43 172.810 172.810 175.188 -2.378 25642 5748 1 13 . 1 1 43 43 SER CA C 43 58.990 58.990 59.116 -0.126 25642 5749 1 13 . 1 1 43 43 SER CB C 43 64.200 64.200 63.788 0.412 25642 5750 1 13 . 1 1 43 43 SER H H 43 9.060 9.060 8.681 0.379 25642 5751 1 13 . 1 1 44 44 ALA N N 44 119.250 119.250 121.090 -1.840 25642 5752 1 13 . 1 1 44 44 ALA C C 44 177.720 177.720 178.562 -0.842 25642 5753 1 13 . 1 1 44 44 ALA CA C 44 54.000 54.000 54.187 -0.187 25642 5754 1 13 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.318 -0.588 25642 5755 1 13 . 1 1 44 44 ALA H H 44 8.490 8.490 8.254 0.236 25642 5756 1 13 . 1 1 45 45 ASP N N 45 114.450 114.450 119.352 -4.902 25642 5757 1 13 . 1 1 45 45 ASP C C 45 175.800 175.800 175.162 0.638 25642 5758 1 13 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.785 -0.805 25642 5759 1 13 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.272 2.408 25642 5760 1 13 . 1 1 45 45 ASP H H 45 8.080 8.080 8.599 -0.519 25642 5761 1 13 . 1 1 46 46 LEU N N 46 122.200 122.200 120.547 1.653 25642 5762 1 13 . 1 1 46 46 LEU C C 46 176.290 176.290 175.411 0.879 25642 5763 1 13 . 1 1 46 46 LEU CA C 46 54.620 54.620 53.830 0.790 25642 5764 1 13 . 1 1 46 46 LEU CB C 46 45.960 45.960 44.684 1.276 25642 5765 1 13 . 1 1 46 46 LEU H H 46 7.860 7.860 7.595 0.265 25642 5766 1 13 . 1 1 47 47 THR N N 47 119.850 119.850 113.218 6.632 25642 5767 1 13 . 1 1 47 47 THR C C 47 174.140 174.140 174.167 -0.027 25642 5768 1 13 . 1 1 47 47 THR CA C 47 61.650 61.650 60.237 1.413 25642 5769 1 13 . 1 1 47 47 THR CB C 47 71.210 71.210 70.738 0.472 25642 5770 1 13 . 1 1 47 47 THR H H 47 9.000 9.000 8.267 0.733 25642 5771 1 13 . 1 1 48 48 ILE N N 48 128.090 128.090 126.360 1.730 25642 5772 1 13 . 1 1 48 48 ILE C C 48 174.810 174.810 175.762 -0.952 25642 5773 1 13 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.159 -1.009 25642 5774 1 13 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.136 1.974 25642 5775 1 13 . 1 1 48 48 ILE H H 48 9.330 9.330 8.306 1.024 25642 5776 1 13 . 1 1 49 49 GLU N N 49 129.080 129.080 125.422 3.658 25642 5777 1 13 . 1 1 49 49 GLU C C 49 175.160 175.160 177.011 -1.851 25642 5778 1 13 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.595 -1.095 25642 5779 1 13 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.678 -2.318 25642 5780 1 13 . 1 1 49 49 GLU H H 49 8.830 8.830 8.527 0.303 25642 5781 1 13 . 1 1 50 50 GLY N N 50 114.250 114.250 113.620 0.630 25642 5782 1 13 . 1 1 50 50 GLY C C 50 170.510 170.510 173.737 -3.227 25642 5783 1 13 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.500 -0.440 25642 5784 1 13 . 1 1 50 50 GLY H H 50 8.320 8.320 8.833 -0.513 25642 5785 1 13 . 1 1 51 51 GLY N N 51 102.740 102.740 108.488 -5.748 25642 5786 1 13 . 1 1 51 51 GLY C C 51 174.230 174.230 172.482 1.748 25642 5787 1 13 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.546 -0.666 25642 5788 1 13 . 1 1 51 51 GLY H H 51 8.000 8.000 7.633 0.367 25642 5789 1 13 . 1 1 52 52 VAL N N 52 122.770 122.770 117.969 4.801 25642 5790 1 13 . 1 1 52 52 VAL C C 52 175.290 175.290 174.398 0.892 25642 5791 1 13 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.423 1.747 25642 5792 1 13 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.587 -0.637 25642 5793 1 13 . 1 1 52 52 VAL H H 52 8.550 8.550 8.070 0.480 25642 5794 1 13 . 1 1 53 53 THR N N 53 121.860 121.860 114.092 7.768 25642 5795 1 13 . 1 1 53 53 THR C C 53 173.790 173.790 174.349 -0.559 25642 5796 1 13 . 1 1 53 53 THR CA C 53 60.580 60.580 59.558 1.022 25642 5797 1 13 . 1 1 53 53 THR CB C 53 72.310 72.310 71.689 0.621 25642 5798 1 13 . 1 1 53 53 THR H H 53 9.150 9.150 8.145 1.005 25642 5799 1 13 . 1 1 54 54 GLY N N 54 112.960 112.960 108.650 4.310 25642 5800 1 13 . 1 1 54 54 GLY C C 54 172.530 172.530 173.396 -0.866 25642 5801 1 13 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.838 0.032 25642 5802 1 13 . 1 1 54 54 GLY H H 54 9.080 9.080 8.035 1.045 25642 5803 1 13 . 1 1 55 55 GLU N N 55 118.200 118.200 120.457 -2.257 25642 5804 1 13 . 1 1 55 55 GLU C C 55 177.350 177.350 175.137 2.213 25642 5805 1 13 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.236 -1.136 25642 5806 1 13 . 1 1 55 55 GLU CB C 55 31.140 31.140 27.991 3.149 25642 5807 1 13 . 1 1 55 55 GLU H H 55 8.790 8.790 8.108 0.682 25642 5808 1 13 . 1 1 56 56 GLY N N 56 109.740 109.740 107.558 2.182 25642 5809 1 13 . 1 1 56 56 GLY C C 56 173.400 173.400 172.711 0.689 25642 5810 1 13 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.827 -0.137 25642 5811 1 13 . 1 1 56 56 GLY H H 56 8.580 8.580 7.880 0.700 25642 5812 1 13 . 1 1 57 57 GLU N N 57 122.180 122.180 122.119 0.061 25642 5813 1 13 . 1 1 57 57 GLU C C 57 175.970 175.970 175.553 0.417 25642 5814 1 13 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.513 -0.413 25642 5815 1 13 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.901 0.869 25642 5816 1 13 . 1 1 57 57 GLU H H 57 8.810 8.810 8.110 0.700 25642 5817 1 13 . 1 1 58 58 LEU N N 58 126.040 126.040 124.029 2.011 25642 5818 1 13 . 1 1 58 58 LEU C C 58 173.100 173.100 174.612 -1.512 25642 5819 1 13 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.024 0.656 25642 5820 1 13 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.831 1.609 25642 5821 1 13 . 1 1 58 58 LEU H H 58 8.720 8.720 8.158 0.562 25642 5822 1 13 . 1 1 59 59 GLN N N 59 127.940 127.940 121.464 6.476 25642 5823 1 13 . 1 1 59 59 GLN C C 59 174.540 174.540 174.471 0.069 25642 5824 1 13 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.129 -0.289 25642 5825 1 13 . 1 1 59 59 GLN CB C 59 29.790 29.790 30.355 -0.565 25642 5826 1 13 . 1 1 59 59 GLN H H 59 8.400 8.400 8.212 0.188 25642 5827 1 13 . 1 1 60 60 ILE N N 60 124.610 124.610 128.132 -3.522 25642 5828 1 13 . 1 1 60 60 ILE C C 60 174.340 174.340 173.523 0.817 25642 5829 1 13 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.738 2.592 25642 5830 1 13 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.774 -1.024 25642 5831 1 13 . 1 1 60 60 ILE H H 60 9.100 9.100 8.574 0.526 25642 5832 1 13 . 1 1 61 61 ASP N N 61 127.350 127.350 127.078 0.272 25642 5833 1 13 . 1 1 61 61 ASP C C 61 176.210 176.210 174.700 1.510 25642 5834 1 13 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.543 1.357 25642 5835 1 13 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.600 1.880 25642 5836 1 13 . 1 1 61 61 ASP H H 61 9.070 9.070 8.134 0.936 25642 5837 1 13 . 1 1 62 62 GLY N N 62 110.340 110.340 107.125 3.215 25642 5838 1 13 . 1 1 62 62 GLY C C 62 170.870 170.870 172.241 -1.371 25642 5839 1 13 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.024 1.466 25642 5840 1 13 . 1 1 62 62 GLY H H 62 6.590 6.590 7.518 -0.928 25642 5841 1 13 . 1 1 63 63 VAL N N 63 122.570 122.570 119.674 2.896 25642 5842 1 13 . 1 1 63 63 VAL C C 63 176.030 176.030 174.804 1.226 25642 5843 1 13 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.399 0.611 25642 5844 1 13 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.021 0.829 25642 5845 1 13 . 1 1 63 63 VAL H H 63 8.070 8.070 7.683 0.387 25642 5846 1 13 . 1 1 64 64 VAL N N 64 125.470 125.470 130.697 -5.227 25642 5847 1 13 . 1 1 64 64 VAL C C 64 174.410 174.410 174.342 0.068 25642 5848 1 13 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.627 -0.407 25642 5849 1 13 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.033 3.657 25642 5850 1 13 . 1 1 64 64 VAL H H 64 9.010 9.010 8.149 0.861 25642 5851 1 13 . 1 1 65 65 LYS N N 65 129.120 129.120 127.213 1.907 25642 5852 1 13 . 1 1 65 65 LYS C C 65 175.120 175.120 176.032 -0.912 25642 5853 1 13 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.496 -0.186 25642 5854 1 13 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.374 -2.934 25642 5855 1 13 . 1 1 65 65 LYS H H 65 9.150 9.150 7.931 1.219 25642 5856 1 13 . 1 1 66 66 GLY N N 66 115.020 115.020 111.084 3.936 25642 5857 1 13 . 1 1 66 66 GLY C C 66 170.210 170.210 172.982 -2.772 25642 5858 1 13 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.423 0.056 25642 5859 1 13 . 1 1 66 66 GLY H H 66 8.300 8.300 8.291 0.009 25642 5860 1 13 . 1 1 67 67 ASP N N 67 115.420 115.420 121.636 -6.216 25642 5861 1 13 . 1 1 67 67 ASP C C 67 176.920 176.920 175.362 1.558 25642 5862 1 13 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.611 -0.281 25642 5863 1 13 . 1 1 67 67 ASP CB C 67 41.950 41.950 41.327 0.623 25642 5864 1 13 . 1 1 67 67 ASP H H 67 7.690 7.690 8.534 -0.844 25642 5865 1 13 . 1 1 68 68 VAL N N 68 122.440 122.440 122.186 0.254 25642 5866 1 13 . 1 1 68 68 VAL C C 68 174.450 174.450 173.652 0.798 25642 5867 1 13 . 1 1 68 68 VAL CA C 68 60.970 60.970 59.579 1.391 25642 5868 1 13 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.547 -0.307 25642 5869 1 13 . 1 1 68 68 VAL H H 68 8.930 8.930 7.993 0.937 25642 5870 1 13 . 1 1 69 69 ARG N N 69 130.610 130.610 127.700 2.910 25642 5871 1 13 . 1 1 69 69 ARG C C 69 175.150 175.150 174.507 0.643 25642 5872 1 13 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.441 0.379 25642 5873 1 13 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.317 -1.317 25642 5874 1 13 . 1 1 69 69 ARG H H 69 9.110 9.110 8.299 0.811 25642 5875 1 13 . 1 1 70 70 VAL N N 70 114.530 114.530 123.476 -8.946 25642 5876 1 13 . 1 1 70 70 VAL C C 70 175.440 175.440 174.145 1.295 25642 5877 1 13 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.785 -2.385 25642 5878 1 13 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.785 -0.415 25642 5879 1 13 . 1 1 70 70 VAL H H 70 8.290 8.290 7.726 0.564 25642 5880 1 13 . 1 1 71 71 GLY N N 71 108.150 108.150 109.153 -1.003 25642 5881 1 13 . 1 1 71 71 GLY C C 71 174.710 174.710 173.738 0.972 25642 5882 1 13 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.214 1.686 25642 5883 1 13 . 1 1 71 71 GLY H H 71 8.110 8.110 8.503 -0.393 25642 5884 1 13 . 1 1 72 72 ARG N N 72 120.660 120.660 121.359 -0.699 25642 5885 1 13 . 1 1 72 72 ARG C C 72 173.620 173.620 174.130 -0.510 25642 5886 1 13 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.995 0.325 25642 5887 1 13 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.363 1.417 25642 5888 1 13 . 1 1 72 72 ARG H H 72 7.690 7.690 7.723 -0.033 25642 5889 1 13 . 1 1 73 73 LEU N N 73 125.710 125.710 127.909 -2.199 25642 5890 1 13 . 1 1 73 73 LEU C C 73 175.230 175.230 174.595 0.635 25642 5891 1 13 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.765 -1.215 25642 5892 1 13 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.872 0.658 25642 5893 1 13 . 1 1 73 73 LEU H H 73 8.570 8.570 8.369 0.201 25642 5894 1 13 . 1 1 74 74 THR N N 74 123.150 123.150 124.815 -1.665 25642 5895 1 13 . 1 1 74 74 THR C C 74 173.670 173.670 173.311 0.359 25642 5896 1 13 . 1 1 74 74 THR CA C 74 61.480 61.480 60.873 0.606 25642 5897 1 13 . 1 1 74 74 THR CB C 74 70.710 70.710 70.320 0.390 25642 5898 1 13 . 1 1 74 74 THR H H 74 8.860 8.860 8.236 0.624 25642 5899 1 13 . 1 1 75 75 VAL N N 75 127.890 127.890 127.391 0.499 25642 5900 1 13 . 1 1 75 75 VAL C C 75 176.800 176.800 177.178 -0.378 25642 5901 1 13 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.651 -0.521 25642 5902 1 13 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.407 2.433 25642 5903 1 13 . 1 1 75 75 VAL H H 75 8.910 8.910 7.924 0.986 25642 5904 1 13 . 1 1 76 76 GLY N N 76 116.590 116.590 116.622 -0.032 25642 5905 1 13 . 1 1 76 76 GLY C C 76 174.060 174.060 174.560 -0.500 25642 5906 1 13 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.365 -0.135 25642 5907 1 13 . 1 1 76 76 GLY H H 76 8.980 8.980 9.024 -0.044 25642 5908 1 13 . 1 1 77 77 GLU N N 77 121.140 121.140 118.387 2.753 25642 5909 1 13 . 1 1 77 77 GLU C C 77 178.620 178.620 178.633 -0.013 25642 5910 1 13 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.047 2.453 25642 5911 1 13 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.961 0.159 25642 5912 1 13 . 1 1 77 77 GLU H H 77 9.260 9.260 8.545 0.715 25642 5913 1 13 . 1 1 78 78 THR N N 78 105.330 105.330 110.867 -5.537 25642 5914 1 13 . 1 1 78 78 THR C C 78 174.990 174.990 175.587 -0.597 25642 5915 1 13 . 1 1 78 78 THR CA C 78 62.040 62.040 63.249 -1.209 25642 5916 1 13 . 1 1 78 78 THR CB C 78 69.880 69.880 68.498 1.382 25642 5917 1 13 . 1 1 78 78 THR H H 78 8.010 8.010 7.794 0.216 25642 5918 1 13 . 1 1 79 79 GLY N N 79 111.420 111.420 110.919 0.501 25642 5919 1 13 . 1 1 79 79 GLY C C 79 174.270 174.270 174.369 -0.099 25642 5920 1 13 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.063 -0.813 25642 5921 1 13 . 1 1 79 79 GLY H H 79 8.240 8.240 8.465 -0.225 25642 5922 1 13 . 1 1 80 80 HIS N N 80 123.970 123.970 118.790 5.180 25642 5923 1 13 . 1 1 80 80 HIS C C 80 173.800 173.800 173.940 -0.140 25642 5924 1 13 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.448 -0.588 25642 5925 1 13 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.636 4.434 25642 5926 1 13 . 1 1 80 80 HIS H H 80 8.860 8.860 7.693 1.167 25642 5927 1 13 . 1 1 81 81 VAL N N 81 125.720 125.720 125.237 0.483 25642 5928 1 13 . 1 1 81 81 VAL C C 81 174.580 174.580 173.396 1.184 25642 5929 1 13 . 1 1 81 81 VAL CA C 81 60.660 60.660 61.996 -1.336 25642 5930 1 13 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.533 0.327 25642 5931 1 13 . 1 1 81 81 VAL H H 81 8.900 8.900 8.262 0.638 25642 5932 1 13 . 1 1 82 82 GLU N N 82 129.500 129.500 128.007 1.493 25642 5933 1 13 . 1 1 82 82 GLU C C 82 175.200 175.200 175.344 -0.144 25642 5934 1 13 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.723 -0.823 25642 5935 1 13 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.737 -1.867 25642 5936 1 13 . 1 1 82 82 GLU H H 82 9.270 9.270 8.404 0.866 25642 5937 1 13 . 1 1 83 83 GLY N N 83 114.070 114.070 112.941 1.129 25642 5938 1 13 . 1 1 83 83 GLY C C 83 171.310 171.310 172.326 -1.016 25642 5939 1 13 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.138 -0.188 25642 5940 1 13 . 1 1 83 83 GLY H H 83 8.450 8.450 7.922 0.528 25642 5941 1 13 . 1 1 84 84 SER N N 84 113.810 113.810 117.354 -3.544 25642 5942 1 13 . 1 1 84 84 SER C C 84 173.140 173.140 173.332 -0.192 25642 5943 1 13 . 1 1 84 84 SER CA C 84 57.720 57.720 57.701 0.019 25642 5944 1 13 . 1 1 84 84 SER CB C 84 64.950 64.950 64.508 0.441 25642 5945 1 13 . 1 1 84 84 SER H H 84 8.320 8.320 8.115 0.205 25642 5946 1 13 . 1 1 85 85 VAL N N 85 121.060 121.060 126.543 -5.483 25642 5947 1 13 . 1 1 85 85 VAL C C 85 174.960 174.960 172.918 2.042 25642 5948 1 13 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.412 0.008 25642 5949 1 13 . 1 1 85 85 VAL CB C 85 34.900 34.900 34.724 0.176 25642 5950 1 13 . 1 1 85 85 VAL H H 85 8.730 8.730 7.743 0.987 25642 5951 1 13 . 1 1 86 86 TYR N N 86 129.090 129.090 128.860 0.230 25642 5952 1 13 . 1 1 86 86 TYR C C 86 174.420 174.420 174.648 -0.228 25642 5953 1 13 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.232 1.228 25642 5954 1 13 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.091 0.759 25642 5955 1 13 . 1 1 86 86 TYR H H 86 9.580 9.580 8.730 0.850 25642 5956 1 13 . 1 1 87 87 ALA N N 87 122.670 122.670 125.643 -2.973 25642 5957 1 13 . 1 1 87 87 ALA C C 87 177.320 177.320 175.752 1.568 25642 5958 1 13 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.736 0.524 25642 5959 1 13 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.209 0.241 25642 5960 1 13 . 1 1 87 87 ALA H H 87 8.080 8.080 8.074 0.006 25642 5961 1 13 . 1 1 88 88 GLU N N 88 120.180 120.180 119.423 0.757 25642 5962 1 13 . 1 1 88 88 GLU C C 88 177.310 177.310 176.570 0.740 25642 5963 1 13 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.652 0.538 25642 5964 1 13 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.974 -1.324 25642 5965 1 13 . 1 1 88 88 GLU H H 88 8.640 8.640 8.470 0.170 25642 5966 1 13 . 1 1 89 89 ALA N N 89 118.770 118.770 119.926 -1.156 25642 5967 1 13 . 1 1 89 89 ALA C C 89 175.890 175.890 175.037 0.853 25642 5968 1 13 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.673 0.837 25642 5969 1 13 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.765 -0.495 25642 5970 1 13 . 1 1 89 89 ALA H H 89 7.340 7.340 7.883 -0.543 25642 5971 1 13 . 1 1 90 90 VAL N N 90 119.720 119.720 122.590 -2.870 25642 5972 1 13 . 1 1 90 90 VAL C C 90 174.710 174.710 173.497 1.213 25642 5973 1 13 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.322 0.198 25642 5974 1 13 . 1 1 90 90 VAL CB C 90 35.990 35.990 36.569 -0.579 25642 5975 1 13 . 1 1 90 90 VAL H H 90 8.490 8.490 7.901 0.589 25642 5976 1 13 . 1 1 91 91 GLU N N 91 128.200 128.200 126.384 1.816 25642 5977 1 13 . 1 1 91 91 GLU C C 91 175.470 175.470 175.459 0.011 25642 5978 1 13 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.086 0.704 25642 5979 1 13 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.601 1.079 25642 5980 1 13 . 1 1 91 91 GLU H H 91 9.070 9.070 9.009 0.061 25642 5981 1 13 . 1 1 92 92 VAL N N 92 122.080 122.080 125.075 -2.995 25642 5982 1 13 . 1 1 92 92 VAL C C 92 174.490 174.490 175.476 -0.986 25642 5983 1 13 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.214 0.446 25642 5984 1 13 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.664 0.426 25642 5985 1 13 . 1 1 92 92 VAL H H 92 9.450 9.450 8.216 1.234 25642 5986 1 13 . 1 1 93 93 ARG N N 93 123.900 123.900 124.091 -0.191 25642 5987 1 13 . 1 1 93 93 ARG C C 93 176.280 176.280 174.961 1.319 25642 5988 1 13 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.218 1.072 25642 5989 1 13 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.970 -1.080 25642 5990 1 13 . 1 1 93 93 ARG H H 93 9.200 9.200 8.294 0.905 25642 5991 1 13 . 1 1 94 94 GLY N N 94 111.100 111.100 105.987 5.113 25642 5992 1 13 . 1 1 94 94 GLY C C 94 170.710 170.710 172.190 -1.480 25642 5993 1 13 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.107 0.683 25642 5994 1 13 . 1 1 94 94 GLY H H 94 6.250 6.250 8.177 -1.927 25642 5995 1 13 . 1 1 95 95 ARG N N 95 126.190 126.190 119.097 7.093 25642 5996 1 13 . 1 1 95 95 ARG C C 95 175.570 175.570 174.525 1.045 25642 5997 1 13 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.903 -1.233 25642 5998 1 13 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.437 1.483 25642 5999 1 13 . 1 1 95 95 ARG H H 95 8.140 8.140 7.838 0.302 25642 6000 1 13 . 1 1 96 96 VAL N N 96 124.800 124.800 123.196 1.604 25642 6001 1 13 . 1 1 96 96 VAL C C 96 174.070 174.070 173.371 0.699 25642 6002 1 13 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.578 0.582 25642 6003 1 13 . 1 1 96 96 VAL CB C 96 35.860 35.860 36.025 -0.165 25642 6004 1 13 . 1 1 96 96 VAL H H 96 9.430 9.430 8.918 0.512 25642 6005 1 13 . 1 1 97 97 VAL N N 97 128.010 128.010 124.157 3.853 25642 6006 1 13 . 1 1 97 97 VAL C C 97 176.430 176.430 174.191 2.239 25642 6007 1 13 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.748 1.332 25642 6008 1 13 . 1 1 97 97 VAL CB C 97 33.630 33.630 34.191 -0.561 25642 6009 1 13 . 1 1 97 97 VAL H H 97 9.260 9.260 8.669 0.591 25642 6010 1 13 . 1 1 98 98 GLY N N 98 116.340 116.340 114.398 1.942 25642 6011 1 13 . 1 1 98 98 GLY C C 98 171.770 171.770 172.119 -0.349 25642 6012 1 13 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.139 -0.249 25642 6013 1 13 . 1 1 98 98 GLY H H 98 8.600 8.600 8.386 0.214 25642 6014 1 13 . 1 1 99 99 ALA N N 99 124.110 124.110 123.531 0.579 25642 6015 1 13 . 1 1 99 99 ALA C C 99 176.060 176.060 174.428 1.632 25642 6016 1 13 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.593 0.097 25642 6017 1 13 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.384 -0.684 25642 6018 1 13 . 1 1 99 99 ALA H H 99 8.110 8.110 7.794 0.316 25642 6019 1 13 . 1 1 100 100 ILE N N 100 119.340 119.340 122.368 -3.028 25642 6020 1 13 . 1 1 100 100 ILE C C 100 174.770 174.770 173.224 1.546 25642 6021 1 13 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.958 0.662 25642 6022 1 13 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.812 0.508 25642 6023 1 13 . 1 1 100 100 ILE H H 100 8.910 8.910 8.194 0.716 25642 6024 1 13 . 1 1 101 101 THR N N 101 127.010 127.010 124.433 2.577 25642 6025 1 13 . 1 1 101 101 THR C C 101 173.980 173.980 173.056 0.924 25642 6026 1 13 . 1 1 101 101 THR CA C 101 61.620 61.620 61.289 0.331 25642 6027 1 13 . 1 1 101 101 THR CB C 101 69.700 69.700 70.012 -0.312 25642 6028 1 13 . 1 1 101 101 THR H H 101 8.950 8.950 8.408 0.542 25642 6029 1 13 . 1 1 102 102 SER N N 102 119.870 119.870 121.150 -1.280 25642 6030 1 13 . 1 1 102 102 SER C C 102 174.000 174.000 173.212 0.788 25642 6031 1 13 . 1 1 102 102 SER CA C 102 56.190 56.190 55.437 0.753 25642 6032 1 13 . 1 1 102 102 SER CB C 102 64.710 64.710 65.592 -0.882 25642 6033 1 13 . 1 1 102 102 SER H H 102 8.800 8.800 8.372 0.428 25642 6034 1 13 . 1 1 103 103 LYS N N 103 124.650 124.650 120.752 3.898 25642 6035 1 13 . 1 1 103 103 LYS C C 103 177.200 177.200 176.534 0.666 25642 6036 1 13 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.605 3.695 25642 6037 1 13 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.756 -1.246 25642 6038 1 13 . 1 1 103 103 LYS H H 103 7.560 7.560 8.280 -0.720 25642 6039 1 13 . 1 1 104 104 GLN N N 104 115.370 115.370 118.404 -3.034 25642 6040 1 13 . 1 1 104 104 GLN C C 104 174.650 174.650 173.860 0.790 25642 6041 1 13 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.707 0.153 25642 6042 1 13 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.082 -0.202 25642 6043 1 13 . 1 1 104 104 GLN H H 104 7.650 7.650 7.855 -0.205 25642 6044 1 13 . 1 1 105 105 VAL N N 105 125.510 125.510 126.203 -0.693 25642 6045 1 13 . 1 1 105 105 VAL C C 105 174.530 174.530 174.397 0.133 25642 6046 1 13 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.984 -0.064 25642 6047 1 13 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.589 -0.589 25642 6048 1 13 . 1 1 105 105 VAL H H 105 8.670 8.670 8.218 0.452 25642 6049 1 13 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.801 0.249 25642 6050 1 13 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.471 1.269 25642 6051 1 13 . 1 1 106 106 ARG H H 106 8.560 8.560 8.320 0.240 25642 6052 1 13 . 1 1 107 107 LEU N N 107 125.820 125.820 126.594 -0.774 25642 6053 1 13 . 1 1 107 107 LEU C C 107 176.190 176.190 175.434 0.756 25642 6054 1 13 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.720 -1.150 25642 6055 1 13 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.567 0.563 25642 6056 1 13 . 1 1 107 107 LEU H H 107 8.730 8.730 8.652 0.078 25642 6057 1 13 . 1 1 108 108 TYR N N 108 120.870 120.870 123.908 -3.038 25642 6058 1 13 . 1 1 108 108 TYR C C 108 178.880 178.880 177.221 1.659 25642 6059 1 13 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.337 1.193 25642 6060 1 13 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.388 -0.608 25642 6061 1 13 . 1 1 108 108 TYR H H 108 8.280 8.280 7.870 0.410 25642 6062 1 13 . 1 1 109 109 GLY N N 109 112.380 112.380 110.051 2.329 25642 6063 1 13 . 1 1 109 109 GLY C C 109 172.330 172.330 175.631 -3.301 25642 6064 1 13 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.835 1.445 25642 6065 1 13 . 1 1 109 109 GLY H H 109 10.080 10.080 8.614 1.466 25642 6066 1 13 . 1 1 110 110 THR N N 110 103.280 103.280 118.198 -14.918 25642 6067 1 13 . 1 1 110 110 THR C C 110 175.370 175.370 174.918 0.452 25642 6068 1 13 . 1 1 110 110 THR CA C 110 61.220 61.220 61.644 -0.424 25642 6069 1 13 . 1 1 110 110 THR CB C 110 70.160 70.160 67.959 2.201 25642 6070 1 13 . 1 1 110 110 THR H H 110 6.910 6.910 8.550 -1.640 25642 6071 1 13 . 1 1 111 111 SER N N 111 118.040 118.040 117.795 0.245 25642 6072 1 13 . 1 1 111 111 SER C C 111 174.740 174.740 173.574 1.166 25642 6073 1 13 . 1 1 111 111 SER CA C 111 59.070 59.070 59.552 -0.482 25642 6074 1 13 . 1 1 111 111 SER CB C 111 67.870 67.870 63.967 3.903 25642 6075 1 13 . 1 1 111 111 SER H H 111 7.960 7.960 7.905 0.055 25642 6076 1 13 . 1 1 112 112 TYR N N 112 124.220 124.220 129.572 -5.352 25642 6077 1 13 . 1 1 112 112 TYR C C 112 174.090 174.090 173.768 0.322 25642 6078 1 13 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.458 0.952 25642 6079 1 13 . 1 1 112 112 TYR CB C 112 41.690 41.690 41.666 0.024 25642 6080 1 13 . 1 1 112 112 TYR H H 112 8.720 8.720 8.248 0.472 25642 6081 1 13 . 1 1 113 113 VAL N N 113 129.090 129.090 128.997 0.093 25642 6082 1 13 . 1 1 113 113 VAL C C 113 173.870 173.870 173.778 0.092 25642 6083 1 13 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.950 0.090 25642 6084 1 13 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.087 1.843 25642 6085 1 13 . 1 1 113 113 VAL H H 113 9.640 9.640 8.271 1.369 25642 6086 1 13 . 1 1 114 114 ASP N N 114 127.460 127.460 127.154 0.306 25642 6087 1 13 . 1 1 114 114 ASP C C 114 176.250 176.250 175.424 0.826 25642 6088 1 13 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.713 -1.243 25642 6089 1 13 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.880 0.340 25642 6090 1 13 . 1 1 114 114 ASP H H 114 8.630 8.630 7.917 0.713 25642 6091 1 13 . 1 1 115 115 GLY N N 115 113.040 113.040 112.076 0.964 25642 6092 1 13 . 1 1 115 115 GLY C C 115 171.140 171.140 172.168 -1.028 25642 6093 1 13 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.167 -0.017 25642 6094 1 13 . 1 1 115 115 GLY H H 115 8.880 8.880 8.077 0.803 25642 6095 1 13 . 1 1 116 116 ASP N N 116 117.450 117.450 123.071 -5.621 25642 6096 1 13 . 1 1 116 116 ASP C C 116 176.850 176.850 175.661 1.189 25642 6097 1 13 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.253 0.107 25642 6098 1 13 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.854 0.516 25642 6099 1 13 . 1 1 116 116 ASP H H 116 7.390 7.390 8.173 -0.783 25642 6100 1 13 . 1 1 117 117 ILE N N 117 121.440 121.440 126.705 -5.265 25642 6101 1 13 . 1 1 117 117 ILE C C 117 176.780 176.780 174.845 1.935 25642 6102 1 13 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.907 0.813 25642 6103 1 13 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.054 -1.424 25642 6104 1 13 . 1 1 117 117 ILE H H 117 9.200 9.200 8.093 1.107 25642 6105 1 13 . 1 1 118 118 THR N N 118 131.550 131.550 122.954 8.596 25642 6106 1 13 . 1 1 118 118 THR C C 118 173.630 173.630 172.601 1.029 25642 6107 1 13 . 1 1 118 118 THR CA C 118 62.110 62.110 61.283 0.827 25642 6108 1 13 . 1 1 118 118 THR CB C 118 67.860 67.860 70.346 -2.486 25642 6109 1 13 . 1 1 118 118 THR H H 118 9.560 9.560 8.082 1.478 25642 6110 1 13 . 1 1 119 119 HIS N N 119 121.300 121.300 122.722 -1.422 25642 6111 1 13 . 1 1 119 119 HIS C C 119 174.780 174.780 173.328 1.452 25642 6112 1 13 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.909 0.941 25642 6113 1 13 . 1 1 119 119 HIS CB C 119 32.550 32.550 30.594 1.956 25642 6114 1 13 . 1 1 119 119 HIS H H 119 8.290 8.290 8.310 -0.020 25642 6115 1 13 . 1 1 120 120 GLU N N 120 118.130 118.130 118.728 -0.598 25642 6116 1 13 . 1 1 120 120 GLU C C 120 177.120 177.120 176.800 0.320 25642 6117 1 13 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.129 1.651 25642 6118 1 13 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.560 -0.260 25642 6119 1 13 . 1 1 120 120 GLU H H 120 7.710 7.710 8.674 -0.964 25642 6120 1 13 . 1 1 121 121 GLN N N 121 117.670 117.670 118.733 -1.063 25642 6121 1 13 . 1 1 121 121 GLN C C 121 172.760 172.760 174.177 -1.417 25642 6122 1 13 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.709 1.171 25642 6123 1 13 . 1 1 121 121 GLN CB C 121 32.580 32.580 30.999 1.581 25642 6124 1 13 . 1 1 121 121 GLN H H 121 8.950 8.950 7.629 1.321 25642 6125 1 13 . 1 1 122 122 LEU N N 122 126.250 126.250 119.602 6.648 25642 6126 1 13 . 1 1 122 122 LEU C C 122 173.300 173.300 175.516 -2.216 25642 6127 1 13 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.298 0.522 25642 6128 1 13 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.800 0.650 25642 6129 1 13 . 1 1 122 122 LEU H H 122 8.660 8.660 8.359 0.301 25642 6130 1 13 . 1 1 123 123 ALA N N 123 126.670 126.670 125.612 1.058 25642 6131 1 13 . 1 1 123 123 ALA C C 123 175.940 175.940 175.756 0.184 25642 6132 1 13 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.556 -1.986 25642 6133 1 13 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.025 0.325 25642 6134 1 13 . 1 1 123 123 ALA H H 123 8.090 8.090 8.487 -0.397 25642 6135 1 13 . 1 1 124 124 MET N N 124 119.800 119.800 122.392 -2.592 25642 6136 1 13 . 1 1 124 124 MET C C 124 174.960 174.960 175.507 -0.547 25642 6137 1 13 . 1 1 124 124 MET CA C 124 54.770 54.770 54.707 0.063 25642 6138 1 13 . 1 1 124 124 MET CB C 124 37.620 37.620 33.375 4.245 25642 6139 1 13 . 1 1 124 124 MET H H 124 8.810 8.810 8.583 0.227 25642 6140 1 13 . 1 1 125 125 GLU N N 125 125.500 125.500 124.294 1.206 25642 6141 1 13 . 1 1 125 125 GLU C C 125 175.410 175.410 175.915 -0.505 25642 6142 1 13 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.509 0.161 25642 6143 1 13 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.110 -0.600 25642 6144 1 13 . 1 1 125 125 GLU H H 125 8.760 8.760 8.425 0.335 25642 6145 1 13 . 1 1 126 126 THR N N 126 118.440 118.440 115.996 2.444 25642 6146 1 13 . 1 1 126 126 THR C C 126 174.300 174.300 174.996 -0.696 25642 6147 1 13 . 1 1 126 126 THR CA C 126 65.870 65.870 64.854 1.016 25642 6148 1 13 . 1 1 126 126 THR CB C 126 69.050 69.050 69.217 -0.167 25642 6149 1 13 . 1 1 127 127 GLY N N 127 116.970 116.970 112.304 4.666 25642 6150 1 13 . 1 1 127 127 GLY C C 127 175.320 175.320 172.587 2.733 25642 6151 1 13 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.081 -0.081 25642 6152 1 13 . 1 1 128 128 ALA N N 128 124.190 124.190 122.777 1.413 25642 6153 1 13 . 1 1 128 128 ALA C C 128 177.670 177.670 175.718 1.952 25642 6154 1 13 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.309 2.331 25642 6155 1 13 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.471 0.279 25642 6156 1 13 . 1 1 128 128 ALA H H 128 7.930 7.930 7.125 0.805 25642 6157 1 13 . 1 1 129 129 PHE N N 129 127.300 127.300 124.261 3.039 25642 6158 1 13 . 1 1 129 129 PHE C C 129 173.400 173.400 173.618 -0.218 25642 6159 1 13 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.944 -0.054 25642 6160 1 13 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.823 -1.303 25642 6161 1 13 . 1 1 129 129 PHE H H 129 8.550 8.550 8.727 -0.177 25642 6162 1 13 . 1 1 130 130 PHE N N 130 131.220 131.220 125.568 5.652 25642 6163 1 13 . 1 1 130 130 PHE C C 130 173.550 173.550 174.098 -0.548 25642 6164 1 13 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.912 -2.542 25642 6165 1 13 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.224 -0.764 25642 6166 1 13 . 1 1 130 130 PHE H H 130 8.860 8.860 8.935 -0.075 25642 6167 1 13 . 1 1 131 131 GLN N N 131 130.230 130.230 126.749 3.481 25642 6168 1 13 . 1 1 131 131 GLN C C 131 173.350 173.350 174.235 -0.885 25642 6169 1 13 . 1 1 131 131 GLN CA C 131 53.420 53.420 53.898 -0.478 25642 6170 1 13 . 1 1 131 131 GLN CB C 131 33.000 33.000 29.733 3.267 25642 6171 1 13 . 1 1 131 131 GLN H H 131 8.840 8.840 8.208 0.632 25642 6172 1 13 . 1 1 132 132 GLY N N 132 112.460 112.460 108.261 4.199 25642 6173 1 13 . 1 1 132 132 GLY C C 132 172.750 172.750 172.789 -0.039 25642 6174 1 13 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.014 -0.544 25642 6175 1 13 . 1 1 133 133 ARG N N 133 119.950 119.950 121.050 -1.100 25642 6176 1 13 . 1 1 133 133 ARG C C 133 173.910 173.910 175.728 -1.818 25642 6177 1 13 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.569 0.301 25642 6178 1 13 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.802 1.389 25642 6179 1 13 . 1 1 133 133 ARG H H 133 8.470 8.470 8.222 0.248 25642 6180 1 13 . 1 1 134 134 SER N N 134 119.120 119.120 120.448 -1.328 25642 6181 1 13 . 1 1 134 134 SER C C 134 174.260 174.260 174.120 0.140 25642 6182 1 13 . 1 1 134 134 SER CA C 134 57.140 57.140 57.776 -0.636 25642 6183 1 13 . 1 1 134 134 SER CB C 134 63.450 63.450 64.288 -0.838 25642 6184 1 13 . 1 1 134 134 SER H H 134 8.680 8.680 8.570 0.110 25642 6185 1 13 . 1 1 135 135 LEU N N 135 127.740 127.740 127.564 0.176 25642 6186 1 13 . 1 1 135 135 LEU C C 135 174.990 174.990 176.278 -1.288 25642 6187 1 13 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.120 -0.900 25642 6188 1 13 . 1 1 135 135 LEU CB C 135 45.180 45.180 43.042 2.138 25642 6189 1 13 . 1 1 135 135 LEU H H 135 8.560 8.560 8.216 0.344 25642 6190 1 13 . 1 1 136 136 LYS N N 136 118.190 118.190 123.660 -5.470 25642 6191 1 13 . 1 1 136 136 LYS C C 136 178.030 178.030 176.190 1.840 25642 6192 1 13 . 1 1 136 136 LYS CA C 136 52.060 52.060 56.177 -4.117 25642 6193 1 13 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.277 -1.267 25642 6194 1 13 . 1 1 136 136 LYS H H 136 8.180 8.180 8.435 -0.255 25642 6195 1 13 . 1 1 137 137 PHE N N 137 121.570 121.570 120.548 1.022 25642 6196 1 13 . 1 1 137 137 PHE C C 137 176.370 176.370 175.301 1.069 25642 6197 1 13 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.912 1.028 25642 6198 1 13 . 1 1 137 137 PHE CB C 137 39.730 39.730 40.578 -0.848 25642 6199 1 13 . 1 1 137 137 PHE H H 137 7.800 7.800 8.539 -0.739 25642 6200 1 13 . 1 1 138 138 GLN N N 138 123.070 123.070 123.193 -0.123 25642 6201 1 13 . 1 1 138 138 GLN H H 138 8.560 8.560 7.174 1.386 25642 6202 1 14 . 1 1 38 38 VAL C C 38 175.900 175.900 174.765 1.135 25642 6203 1 14 . 1 1 39 39 ALA N N 39 130.020 130.020 131.230 -1.210 25642 6204 1 14 . 1 1 39 39 ALA C C 39 177.440 177.440 176.654 0.786 25642 6205 1 14 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.744 1.636 25642 6206 1 14 . 1 1 39 39 ALA CB C 39 19.820 19.820 19.111 0.709 25642 6207 1 14 . 1 1 39 39 ALA H H 39 8.200 8.200 8.476 -0.276 25642 6208 1 14 . 1 1 40 40 SER N N 40 115.080 115.080 118.744 -3.664 25642 6209 1 14 . 1 1 40 40 SER C C 40 173.460 173.460 173.458 0.002 25642 6210 1 14 . 1 1 40 40 SER CA C 40 60.040 60.040 58.109 1.931 25642 6211 1 14 . 1 1 40 40 SER CB C 40 66.420 66.420 64.672 1.748 25642 6212 1 14 . 1 1 40 40 SER H H 40 7.970 7.970 8.040 -0.070 25642 6213 1 14 . 1 1 41 41 LEU N N 41 127.860 127.860 127.157 0.703 25642 6214 1 14 . 1 1 41 41 LEU C C 41 174.130 174.130 175.684 -1.554 25642 6215 1 14 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.676 0.984 25642 6216 1 14 . 1 1 41 41 LEU CB C 41 46.300 46.300 43.970 2.330 25642 6217 1 14 . 1 1 41 41 LEU H H 41 9.490 9.490 8.370 1.120 25642 6218 1 14 . 1 1 42 42 LEU N N 42 126.730 126.730 127.574 -0.844 25642 6219 1 14 . 1 1 42 42 LEU C C 42 175.120 175.120 176.193 -1.073 25642 6220 1 14 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.342 -0.632 25642 6221 1 14 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.413 -1.953 25642 6222 1 14 . 1 1 42 42 LEU H H 42 8.640 8.640 8.656 -0.016 25642 6223 1 14 . 1 1 43 43 SER N N 43 123.530 123.530 121.508 2.022 25642 6224 1 14 . 1 1 43 43 SER C C 43 172.810 172.810 175.244 -2.434 25642 6225 1 14 . 1 1 43 43 SER CA C 43 58.990 58.990 58.481 0.509 25642 6226 1 14 . 1 1 43 43 SER CB C 43 64.200 64.200 64.102 0.098 25642 6227 1 14 . 1 1 43 43 SER H H 43 9.060 9.060 8.651 0.409 25642 6228 1 14 . 1 1 44 44 ALA N N 44 119.250 119.250 120.328 -1.078 25642 6229 1 14 . 1 1 44 44 ALA C C 44 177.720 177.720 178.098 -0.378 25642 6230 1 14 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.690 0.310 25642 6231 1 14 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.795 -0.065 25642 6232 1 14 . 1 1 44 44 ALA H H 44 8.490 8.490 8.498 -0.008 25642 6233 1 14 . 1 1 45 45 ASP N N 45 114.450 114.450 117.514 -3.064 25642 6234 1 14 . 1 1 45 45 ASP C C 45 175.800 175.800 174.967 0.833 25642 6235 1 14 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.034 -0.054 25642 6236 1 14 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.025 1.655 25642 6237 1 14 . 1 1 45 45 ASP H H 45 8.080 8.080 8.374 -0.294 25642 6238 1 14 . 1 1 46 46 LEU N N 46 122.200 122.200 119.377 2.823 25642 6239 1 14 . 1 1 46 46 LEU C C 46 176.290 176.290 175.305 0.985 25642 6240 1 14 . 1 1 46 46 LEU CA C 46 54.620 54.620 53.838 0.782 25642 6241 1 14 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.215 0.745 25642 6242 1 14 . 1 1 46 46 LEU H H 46 7.860 7.860 7.114 0.746 25642 6243 1 14 . 1 1 47 47 THR N N 47 119.850 119.850 115.944 3.906 25642 6244 1 14 . 1 1 47 47 THR C C 47 174.140 174.140 174.181 -0.041 25642 6245 1 14 . 1 1 47 47 THR CA C 47 61.650 61.650 60.264 1.385 25642 6246 1 14 . 1 1 47 47 THR CB C 47 71.210 71.210 70.106 1.104 25642 6247 1 14 . 1 1 47 47 THR H H 47 9.000 9.000 8.257 0.743 25642 6248 1 14 . 1 1 48 48 ILE N N 48 128.090 128.090 128.148 -0.058 25642 6249 1 14 . 1 1 48 48 ILE C C 48 174.810 174.810 175.637 -0.827 25642 6250 1 14 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.658 -0.508 25642 6251 1 14 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.430 1.680 25642 6252 1 14 . 1 1 48 48 ILE H H 48 9.330 9.330 8.153 1.177 25642 6253 1 14 . 1 1 49 49 GLU N N 49 129.080 129.080 123.595 5.485 25642 6254 1 14 . 1 1 49 49 GLU C C 49 175.160 175.160 177.448 -2.288 25642 6255 1 14 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.537 -1.037 25642 6256 1 14 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.162 -2.802 25642 6257 1 14 . 1 1 49 49 GLU H H 49 8.830 8.830 8.459 0.371 25642 6258 1 14 . 1 1 50 50 GLY N N 50 114.250 114.250 114.511 -0.261 25642 6259 1 14 . 1 1 50 50 GLY C C 50 170.510 170.510 173.901 -3.391 25642 6260 1 14 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.691 -0.631 25642 6261 1 14 . 1 1 50 50 GLY H H 50 8.320 8.320 8.901 -0.581 25642 6262 1 14 . 1 1 51 51 GLY N N 51 102.740 102.740 108.914 -6.174 25642 6263 1 14 . 1 1 51 51 GLY C C 51 174.230 174.230 172.901 1.329 25642 6264 1 14 . 1 1 51 51 GLY CA C 51 44.880 44.880 44.994 -0.114 25642 6265 1 14 . 1 1 51 51 GLY H H 51 8.000 8.000 7.912 0.088 25642 6266 1 14 . 1 1 52 52 VAL N N 52 122.770 122.770 117.030 5.740 25642 6267 1 14 . 1 1 52 52 VAL C C 52 175.290 175.290 174.486 0.804 25642 6268 1 14 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.170 1.000 25642 6269 1 14 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.971 -0.021 25642 6270 1 14 . 1 1 52 52 VAL H H 52 8.550 8.550 8.079 0.471 25642 6271 1 14 . 1 1 53 53 THR N N 53 121.860 121.860 117.337 4.523 25642 6272 1 14 . 1 1 53 53 THR C C 53 173.790 173.790 174.701 -0.911 25642 6273 1 14 . 1 1 53 53 THR CA C 53 60.580 60.580 59.722 0.858 25642 6274 1 14 . 1 1 53 53 THR CB C 53 72.310 72.310 70.107 2.203 25642 6275 1 14 . 1 1 53 53 THR H H 53 9.150 9.150 8.344 0.806 25642 6276 1 14 . 1 1 54 54 GLY N N 54 112.960 112.960 113.750 -0.790 25642 6277 1 14 . 1 1 54 54 GLY C C 54 172.530 172.530 172.748 -0.218 25642 6278 1 14 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.921 -0.051 25642 6279 1 14 . 1 1 54 54 GLY H H 54 9.080 9.080 8.441 0.639 25642 6280 1 14 . 1 1 55 55 GLU N N 55 118.200 118.200 125.451 -7.251 25642 6281 1 14 . 1 1 55 55 GLU C C 55 177.350 177.350 175.852 1.498 25642 6282 1 14 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.162 -1.062 25642 6283 1 14 . 1 1 55 55 GLU CB C 55 31.140 31.140 29.743 1.397 25642 6284 1 14 . 1 1 55 55 GLU H H 55 8.790 8.790 8.620 0.170 25642 6285 1 14 . 1 1 56 56 GLY N N 56 109.740 109.740 112.709 -2.969 25642 6286 1 14 . 1 1 56 56 GLY C C 56 173.400 173.400 172.594 0.806 25642 6287 1 14 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.447 0.243 25642 6288 1 14 . 1 1 56 56 GLY H H 56 8.580 8.580 7.788 0.792 25642 6289 1 14 . 1 1 57 57 GLU N N 57 122.180 122.180 121.888 0.292 25642 6290 1 14 . 1 1 57 57 GLU C C 57 175.970 175.970 174.695 1.275 25642 6291 1 14 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.724 -0.624 25642 6292 1 14 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.239 0.531 25642 6293 1 14 . 1 1 57 57 GLU H H 57 8.810 8.810 8.175 0.635 25642 6294 1 14 . 1 1 58 58 LEU N N 58 126.040 126.040 128.622 -2.582 25642 6295 1 14 . 1 1 58 58 LEU C C 58 173.100 173.100 174.161 -1.061 25642 6296 1 14 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.829 -0.149 25642 6297 1 14 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.302 2.138 25642 6298 1 14 . 1 1 58 58 LEU H H 58 8.720 8.720 8.540 0.180 25642 6299 1 14 . 1 1 59 59 GLN N N 59 127.940 127.940 128.646 -0.706 25642 6300 1 14 . 1 1 59 59 GLN C C 59 174.540 174.540 174.182 0.358 25642 6301 1 14 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.164 -0.324 25642 6302 1 14 . 1 1 59 59 GLN CB C 59 29.790 29.790 30.391 -0.601 25642 6303 1 14 . 1 1 59 59 GLN H H 59 8.400 8.400 8.433 -0.033 25642 6304 1 14 . 1 1 60 60 ILE N N 60 124.610 124.610 126.745 -2.135 25642 6305 1 14 . 1 1 60 60 ILE C C 60 174.340 174.340 173.085 1.255 25642 6306 1 14 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.908 2.422 25642 6307 1 14 . 1 1 60 60 ILE CB C 60 40.750 40.750 42.194 -1.444 25642 6308 1 14 . 1 1 60 60 ILE H H 60 9.100 9.100 8.487 0.613 25642 6309 1 14 . 1 1 61 61 ASP N N 61 127.350 127.350 125.244 2.106 25642 6310 1 14 . 1 1 61 61 ASP C C 61 176.210 176.210 174.469 1.741 25642 6311 1 14 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.565 1.335 25642 6312 1 14 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.712 1.768 25642 6313 1 14 . 1 1 61 61 ASP H H 61 9.070 9.070 8.201 0.869 25642 6314 1 14 . 1 1 62 62 GLY N N 62 110.340 110.340 107.240 3.100 25642 6315 1 14 . 1 1 62 62 GLY C C 62 170.870 170.870 172.216 -1.346 25642 6316 1 14 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.167 1.323 25642 6317 1 14 . 1 1 62 62 GLY H H 62 6.590 6.590 7.612 -1.022 25642 6318 1 14 . 1 1 63 63 VAL N N 63 122.570 122.570 120.409 2.161 25642 6319 1 14 . 1 1 63 63 VAL C C 63 176.030 176.030 174.850 1.180 25642 6320 1 14 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.415 0.595 25642 6321 1 14 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.207 0.643 25642 6322 1 14 . 1 1 63 63 VAL H H 63 8.070 8.070 7.705 0.365 25642 6323 1 14 . 1 1 64 64 VAL N N 64 125.470 125.470 127.081 -1.611 25642 6324 1 14 . 1 1 64 64 VAL C C 64 174.410 174.410 173.838 0.572 25642 6325 1 14 . 1 1 64 64 VAL CA C 64 61.220 61.220 60.208 1.012 25642 6326 1 14 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.559 3.131 25642 6327 1 14 . 1 1 64 64 VAL H H 64 9.010 9.010 8.153 0.857 25642 6328 1 14 . 1 1 65 65 LYS N N 65 129.120 129.120 127.811 1.309 25642 6329 1 14 . 1 1 65 65 LYS C C 65 175.120 175.120 176.130 -1.010 25642 6330 1 14 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.819 -0.509 25642 6331 1 14 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.981 -2.541 25642 6332 1 14 . 1 1 65 65 LYS H H 65 9.150 9.150 7.942 1.208 25642 6333 1 14 . 1 1 66 66 GLY N N 66 115.020 115.020 112.004 3.016 25642 6334 1 14 . 1 1 66 66 GLY C C 66 170.210 170.210 172.021 -1.811 25642 6335 1 14 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.932 -0.452 25642 6336 1 14 . 1 1 66 66 GLY H H 66 8.300 8.300 8.012 0.288 25642 6337 1 14 . 1 1 67 67 ASP N N 67 115.420 115.420 123.655 -8.235 25642 6338 1 14 . 1 1 67 67 ASP C C 67 176.920 176.920 175.379 1.541 25642 6339 1 14 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.879 0.451 25642 6340 1 14 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.716 -0.766 25642 6341 1 14 . 1 1 67 67 ASP H H 67 7.690 7.690 8.257 -0.567 25642 6342 1 14 . 1 1 68 68 VAL N N 68 122.440 122.440 125.009 -2.569 25642 6343 1 14 . 1 1 68 68 VAL C C 68 174.450 174.450 174.468 -0.018 25642 6344 1 14 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.131 -0.161 25642 6345 1 14 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.707 1.533 25642 6346 1 14 . 1 1 68 68 VAL H H 68 8.930 8.930 8.174 0.756 25642 6347 1 14 . 1 1 69 69 ARG N N 69 130.610 130.610 128.080 2.530 25642 6348 1 14 . 1 1 69 69 ARG C C 69 175.150 175.150 174.236 0.914 25642 6349 1 14 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.751 0.070 25642 6350 1 14 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.815 -0.815 25642 6351 1 14 . 1 1 69 69 ARG H H 69 9.110 9.110 8.377 0.733 25642 6352 1 14 . 1 1 70 70 VAL N N 70 114.530 114.530 124.282 -9.752 25642 6353 1 14 . 1 1 70 70 VAL C C 70 175.440 175.440 174.819 0.621 25642 6354 1 14 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.774 -2.374 25642 6355 1 14 . 1 1 70 70 VAL CB C 70 35.370 35.370 36.522 -1.152 25642 6356 1 14 . 1 1 70 70 VAL H H 70 8.290 8.290 7.765 0.525 25642 6357 1 14 . 1 1 71 71 GLY N N 71 108.150 108.150 110.701 -2.551 25642 6358 1 14 . 1 1 71 71 GLY C C 71 174.710 174.710 173.601 1.109 25642 6359 1 14 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.815 1.085 25642 6360 1 14 . 1 1 71 71 GLY H H 71 8.110 8.110 8.574 -0.464 25642 6361 1 14 . 1 1 72 72 ARG N N 72 120.660 120.660 119.934 0.726 25642 6362 1 14 . 1 1 72 72 ARG C C 72 173.620 173.620 174.406 -0.786 25642 6363 1 14 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.524 0.796 25642 6364 1 14 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.377 1.403 25642 6365 1 14 . 1 1 72 72 ARG H H 72 7.690 7.690 7.745 -0.055 25642 6366 1 14 . 1 1 73 73 LEU N N 73 125.710 125.710 127.028 -1.318 25642 6367 1 14 . 1 1 73 73 LEU C C 73 175.230 175.230 175.059 0.171 25642 6368 1 14 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.548 -0.998 25642 6369 1 14 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.755 1.775 25642 6370 1 14 . 1 1 73 73 LEU H H 73 8.570 8.570 8.410 0.160 25642 6371 1 14 . 1 1 74 74 THR N N 74 123.150 123.150 124.284 -1.134 25642 6372 1 14 . 1 1 74 74 THR C C 74 173.670 173.670 173.641 0.029 25642 6373 1 14 . 1 1 74 74 THR CA C 74 61.480 61.480 61.449 0.031 25642 6374 1 14 . 1 1 74 74 THR CB C 74 70.710 70.710 69.639 1.071 25642 6375 1 14 . 1 1 74 74 THR H H 74 8.860 8.860 8.596 0.264 25642 6376 1 14 . 1 1 75 75 VAL N N 75 127.890 127.890 127.992 -0.102 25642 6377 1 14 . 1 1 75 75 VAL C C 75 176.800 176.800 177.010 -0.210 25642 6378 1 14 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.068 -0.938 25642 6379 1 14 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.422 1.419 25642 6380 1 14 . 1 1 75 75 VAL H H 75 8.910 8.910 7.874 1.036 25642 6381 1 14 . 1 1 76 76 GLY N N 76 116.590 116.590 115.975 0.615 25642 6382 1 14 . 1 1 76 76 GLY C C 76 174.060 174.060 174.484 -0.424 25642 6383 1 14 . 1 1 76 76 GLY CA C 76 45.230 45.230 44.867 0.363 25642 6384 1 14 . 1 1 76 76 GLY H H 76 8.980 8.980 9.115 -0.135 25642 6385 1 14 . 1 1 77 77 GLU N N 77 121.140 121.140 118.246 2.894 25642 6386 1 14 . 1 1 77 77 GLU C C 77 178.620 178.620 178.330 0.290 25642 6387 1 14 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.232 2.268 25642 6388 1 14 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.956 0.164 25642 6389 1 14 . 1 1 77 77 GLU H H 77 9.260 9.260 8.509 0.751 25642 6390 1 14 . 1 1 78 78 THR N N 78 105.330 105.330 113.736 -8.406 25642 6391 1 14 . 1 1 78 78 THR C C 78 174.990 174.990 175.400 -0.410 25642 6392 1 14 . 1 1 78 78 THR CA C 78 62.040 62.040 64.284 -2.244 25642 6393 1 14 . 1 1 78 78 THR CB C 78 69.880 69.880 68.389 1.491 25642 6394 1 14 . 1 1 78 78 THR H H 78 8.010 8.010 8.018 -0.008 25642 6395 1 14 . 1 1 79 79 GLY N N 79 111.420 111.420 109.301 2.119 25642 6396 1 14 . 1 1 79 79 GLY C C 79 174.270 174.270 174.536 -0.266 25642 6397 1 14 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.103 -0.853 25642 6398 1 14 . 1 1 79 79 GLY H H 79 8.240 8.240 8.335 -0.095 25642 6399 1 14 . 1 1 80 80 HIS N N 80 123.970 123.970 118.302 5.668 25642 6400 1 14 . 1 1 80 80 HIS C C 80 173.800 173.800 173.750 0.050 25642 6401 1 14 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.971 -0.111 25642 6402 1 14 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.027 4.043 25642 6403 1 14 . 1 1 80 80 HIS H H 80 8.860 8.860 7.630 1.230 25642 6404 1 14 . 1 1 81 81 VAL N N 81 125.720 125.720 125.830 -0.110 25642 6405 1 14 . 1 1 81 81 VAL C C 81 174.580 174.580 173.850 0.730 25642 6406 1 14 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.291 -1.631 25642 6407 1 14 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.572 0.288 25642 6408 1 14 . 1 1 81 81 VAL H H 81 8.900 8.900 8.135 0.765 25642 6409 1 14 . 1 1 82 82 GLU N N 82 129.500 129.500 127.288 2.212 25642 6410 1 14 . 1 1 82 82 GLU C C 82 175.200 175.200 175.582 -0.382 25642 6411 1 14 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.085 -1.185 25642 6412 1 14 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.328 -1.458 25642 6413 1 14 . 1 1 82 82 GLU H H 82 9.270 9.270 8.185 1.085 25642 6414 1 14 . 1 1 83 83 GLY N N 83 114.070 114.070 111.056 3.014 25642 6415 1 14 . 1 1 83 83 GLY C C 83 171.310 171.310 172.506 -1.196 25642 6416 1 14 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.159 -0.209 25642 6417 1 14 . 1 1 83 83 GLY H H 83 8.450 8.450 8.242 0.208 25642 6418 1 14 . 1 1 84 84 SER N N 84 113.810 113.810 117.794 -3.984 25642 6419 1 14 . 1 1 84 84 SER C C 84 173.140 173.140 173.656 -0.516 25642 6420 1 14 . 1 1 84 84 SER CA C 84 57.720 57.720 57.964 -0.244 25642 6421 1 14 . 1 1 84 84 SER CB C 84 64.950 64.950 64.202 0.748 25642 6422 1 14 . 1 1 84 84 SER H H 84 8.320 8.320 8.111 0.209 25642 6423 1 14 . 1 1 85 85 VAL N N 85 121.060 121.060 126.456 -5.396 25642 6424 1 14 . 1 1 85 85 VAL C C 85 174.960 174.960 174.079 0.881 25642 6425 1 14 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.576 -1.156 25642 6426 1 14 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.667 2.232 25642 6427 1 14 . 1 1 85 85 VAL H H 85 8.730 8.730 7.909 0.821 25642 6428 1 14 . 1 1 86 86 TYR N N 86 129.090 129.090 127.853 1.237 25642 6429 1 14 . 1 1 86 86 TYR C C 86 174.420 174.420 174.744 -0.324 25642 6430 1 14 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.886 0.574 25642 6431 1 14 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.350 0.500 25642 6432 1 14 . 1 1 86 86 TYR H H 86 9.580 9.580 8.819 0.761 25642 6433 1 14 . 1 1 87 87 ALA N N 87 122.670 122.670 125.848 -3.178 25642 6434 1 14 . 1 1 87 87 ALA C C 87 177.320 177.320 175.512 1.808 25642 6435 1 14 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.495 -0.235 25642 6436 1 14 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.560 0.890 25642 6437 1 14 . 1 1 87 87 ALA H H 87 8.080 8.080 8.225 -0.145 25642 6438 1 14 . 1 1 88 88 GLU N N 88 120.180 120.180 118.916 1.264 25642 6439 1 14 . 1 1 88 88 GLU C C 88 177.310 177.310 176.173 1.137 25642 6440 1 14 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.650 0.540 25642 6441 1 14 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.052 -1.402 25642 6442 1 14 . 1 1 88 88 GLU H H 88 8.640 8.640 8.229 0.411 25642 6443 1 14 . 1 1 89 89 ALA N N 89 118.770 118.770 118.758 0.012 25642 6444 1 14 . 1 1 89 89 ALA C C 89 175.890 175.890 175.102 0.788 25642 6445 1 14 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.672 0.838 25642 6446 1 14 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.838 -0.568 25642 6447 1 14 . 1 1 89 89 ALA H H 89 7.340 7.340 7.927 -0.587 25642 6448 1 14 . 1 1 90 90 VAL N N 90 119.720 119.720 117.184 2.536 25642 6449 1 14 . 1 1 90 90 VAL C C 90 174.710 174.710 174.178 0.532 25642 6450 1 14 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.471 -0.951 25642 6451 1 14 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.021 0.969 25642 6452 1 14 . 1 1 90 90 VAL H H 90 8.490 8.490 8.016 0.474 25642 6453 1 14 . 1 1 91 91 GLU N N 91 128.200 128.200 128.390 -0.190 25642 6454 1 14 . 1 1 91 91 GLU C C 91 175.470 175.470 176.318 -0.848 25642 6455 1 14 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.600 0.190 25642 6456 1 14 . 1 1 91 91 GLU CB C 91 32.680 32.680 30.679 2.001 25642 6457 1 14 . 1 1 91 91 GLU H H 91 9.070 9.070 8.503 0.567 25642 6458 1 14 . 1 1 92 92 VAL N N 92 122.080 122.080 120.377 1.703 25642 6459 1 14 . 1 1 92 92 VAL C C 92 174.490 174.490 174.588 -0.098 25642 6460 1 14 . 1 1 92 92 VAL CA C 92 62.660 62.660 60.819 1.841 25642 6461 1 14 . 1 1 92 92 VAL CB C 92 33.090 33.090 33.507 -0.417 25642 6462 1 14 . 1 1 92 92 VAL H H 92 9.450 9.450 7.991 1.459 25642 6463 1 14 . 1 1 93 93 ARG N N 93 123.900 123.900 123.355 0.545 25642 6464 1 14 . 1 1 93 93 ARG C C 93 176.280 176.280 175.015 1.265 25642 6465 1 14 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.401 0.889 25642 6466 1 14 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.757 -0.867 25642 6467 1 14 . 1 1 93 93 ARG H H 93 9.200 9.200 8.179 1.021 25642 6468 1 14 . 1 1 94 94 GLY N N 94 111.100 111.100 105.777 5.323 25642 6469 1 14 . 1 1 94 94 GLY C C 94 170.710 170.710 172.279 -1.569 25642 6470 1 14 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.834 0.956 25642 6471 1 14 . 1 1 94 94 GLY H H 94 6.250 6.250 8.047 -1.797 25642 6472 1 14 . 1 1 95 95 ARG N N 95 126.190 126.190 120.077 6.113 25642 6473 1 14 . 1 1 95 95 ARG C C 95 175.570 175.570 175.206 0.364 25642 6474 1 14 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.749 -1.079 25642 6475 1 14 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.595 1.325 25642 6476 1 14 . 1 1 95 95 ARG H H 95 8.140 8.140 7.786 0.354 25642 6477 1 14 . 1 1 96 96 VAL N N 96 124.800 124.800 124.882 -0.082 25642 6478 1 14 . 1 1 96 96 VAL C C 96 174.070 174.070 174.406 -0.336 25642 6479 1 14 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.566 0.594 25642 6480 1 14 . 1 1 96 96 VAL CB C 96 35.860 35.860 32.555 3.305 25642 6481 1 14 . 1 1 96 96 VAL H H 96 9.430 9.430 9.160 0.270 25642 6482 1 14 . 1 1 97 97 VAL N N 97 128.010 128.010 126.768 1.242 25642 6483 1 14 . 1 1 97 97 VAL C C 97 176.430 176.430 175.510 0.920 25642 6484 1 14 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.766 0.314 25642 6485 1 14 . 1 1 97 97 VAL CB C 97 33.630 33.630 31.622 2.008 25642 6486 1 14 . 1 1 97 97 VAL H H 97 9.260 9.260 8.332 0.927 25642 6487 1 14 . 1 1 98 98 GLY N N 98 116.340 116.340 116.162 0.178 25642 6488 1 14 . 1 1 98 98 GLY C C 98 171.770 171.770 172.144 -0.374 25642 6489 1 14 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.151 -0.261 25642 6490 1 14 . 1 1 98 98 GLY H H 98 8.600 8.600 7.879 0.721 25642 6491 1 14 . 1 1 99 99 ALA N N 99 124.110 124.110 123.268 0.842 25642 6492 1 14 . 1 1 99 99 ALA C C 99 176.060 176.060 174.934 1.126 25642 6493 1 14 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.458 0.232 25642 6494 1 14 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.340 -0.640 25642 6495 1 14 . 1 1 99 99 ALA H H 99 8.110 8.110 7.724 0.386 25642 6496 1 14 . 1 1 100 100 ILE N N 100 119.340 119.340 115.939 3.401 25642 6497 1 14 . 1 1 100 100 ILE C C 100 174.770 174.770 173.642 1.128 25642 6498 1 14 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.925 0.695 25642 6499 1 14 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.830 0.490 25642 6500 1 14 . 1 1 100 100 ILE H H 100 8.910 8.910 8.140 0.770 25642 6501 1 14 . 1 1 101 101 THR N N 101 127.010 127.010 121.387 5.623 25642 6502 1 14 . 1 1 101 101 THR C C 101 173.980 173.980 173.713 0.267 25642 6503 1 14 . 1 1 101 101 THR CA C 101 61.620 61.620 61.468 0.152 25642 6504 1 14 . 1 1 101 101 THR CB C 101 69.700 69.700 70.481 -0.781 25642 6505 1 14 . 1 1 101 101 THR H H 101 8.950 8.950 8.777 0.173 25642 6506 1 14 . 1 1 102 102 SER N N 102 119.870 119.870 120.919 -1.049 25642 6507 1 14 . 1 1 102 102 SER C C 102 174.000 174.000 173.613 0.387 25642 6508 1 14 . 1 1 102 102 SER CA C 102 56.190 56.190 56.825 -0.635 25642 6509 1 14 . 1 1 102 102 SER CB C 102 64.710 64.710 66.835 -2.125 25642 6510 1 14 . 1 1 102 102 SER H H 102 8.800 8.800 8.252 0.548 25642 6511 1 14 . 1 1 103 103 LYS N N 103 124.650 124.650 120.939 3.711 25642 6512 1 14 . 1 1 103 103 LYS C C 103 177.200 177.200 177.129 0.071 25642 6513 1 14 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.898 3.402 25642 6514 1 14 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.535 -1.025 25642 6515 1 14 . 1 1 103 103 LYS H H 103 7.560 7.560 8.335 -0.775 25642 6516 1 14 . 1 1 104 104 GLN N N 104 115.370 115.370 116.701 -1.331 25642 6517 1 14 . 1 1 104 104 GLN C C 104 174.650 174.650 174.744 -0.094 25642 6518 1 14 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.535 0.325 25642 6519 1 14 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.431 -1.551 25642 6520 1 14 . 1 1 104 104 GLN H H 104 7.650 7.650 8.260 -0.610 25642 6521 1 14 . 1 1 105 105 VAL N N 105 125.510 125.510 122.002 3.508 25642 6522 1 14 . 1 1 105 105 VAL C C 105 174.530 174.530 174.239 0.291 25642 6523 1 14 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.993 -1.073 25642 6524 1 14 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.420 -0.420 25642 6525 1 14 . 1 1 105 105 VAL H H 105 8.670 8.670 8.188 0.482 25642 6526 1 14 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.227 0.822 25642 6527 1 14 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.377 0.363 25642 6528 1 14 . 1 1 106 106 ARG H H 106 8.560 8.560 8.565 -0.005 25642 6529 1 14 . 1 1 107 107 LEU N N 107 125.820 125.820 125.711 0.109 25642 6530 1 14 . 1 1 107 107 LEU C C 107 176.190 176.190 175.341 0.849 25642 6531 1 14 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.180 -0.610 25642 6532 1 14 . 1 1 107 107 LEU CB C 107 41.130 41.130 41.085 0.045 25642 6533 1 14 . 1 1 107 107 LEU H H 107 8.730 8.730 8.117 0.613 25642 6534 1 14 . 1 1 108 108 TYR N N 108 120.870 120.870 124.182 -3.312 25642 6535 1 14 . 1 1 108 108 TYR C C 108 178.880 178.880 176.925 1.955 25642 6536 1 14 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.365 1.165 25642 6537 1 14 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.691 -0.912 25642 6538 1 14 . 1 1 108 108 TYR H H 108 8.280 8.280 8.321 -0.041 25642 6539 1 14 . 1 1 109 109 GLY N N 109 112.380 112.380 109.370 3.010 25642 6540 1 14 . 1 1 109 109 GLY C C 109 172.330 172.330 174.912 -2.582 25642 6541 1 14 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.334 1.946 25642 6542 1 14 . 1 1 109 109 GLY H H 109 10.080 10.080 8.802 1.278 25642 6543 1 14 . 1 1 110 110 THR N N 110 103.280 103.280 112.655 -9.375 25642 6544 1 14 . 1 1 110 110 THR C C 110 175.370 175.370 174.894 0.476 25642 6545 1 14 . 1 1 110 110 THR CA C 110 61.220 61.220 61.291 -0.071 25642 6546 1 14 . 1 1 110 110 THR CB C 110 70.160 70.160 68.306 1.854 25642 6547 1 14 . 1 1 110 110 THR H H 110 6.910 6.910 8.483 -1.573 25642 6548 1 14 . 1 1 111 111 SER N N 111 118.040 118.040 116.556 1.484 25642 6549 1 14 . 1 1 111 111 SER C C 111 174.740 174.740 173.431 1.309 25642 6550 1 14 . 1 1 111 111 SER CA C 111 59.070 59.070 59.172 -0.102 25642 6551 1 14 . 1 1 111 111 SER CB C 111 67.870 67.870 63.847 4.023 25642 6552 1 14 . 1 1 111 111 SER H H 111 7.960 7.960 7.486 0.474 25642 6553 1 14 . 1 1 112 112 TYR N N 112 124.220 124.220 119.318 4.902 25642 6554 1 14 . 1 1 112 112 TYR C C 112 174.090 174.090 173.736 0.354 25642 6555 1 14 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.851 -0.441 25642 6556 1 14 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.399 -1.709 25642 6557 1 14 . 1 1 112 112 TYR H H 112 8.720 8.720 8.715 0.005 25642 6558 1 14 . 1 1 113 113 VAL N N 113 129.090 129.090 126.000 3.090 25642 6559 1 14 . 1 1 113 113 VAL C C 113 173.870 173.870 174.203 -0.333 25642 6560 1 14 . 1 1 113 113 VAL CA C 113 61.040 61.040 61.275 -0.235 25642 6561 1 14 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.591 0.339 25642 6562 1 14 . 1 1 113 113 VAL H H 113 9.640 9.640 8.089 1.551 25642 6563 1 14 . 1 1 114 114 ASP N N 114 127.460 127.460 126.368 1.092 25642 6564 1 14 . 1 1 114 114 ASP C C 114 176.250 176.250 175.313 0.937 25642 6565 1 14 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.820 -1.350 25642 6566 1 14 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.110 0.110 25642 6567 1 14 . 1 1 114 114 ASP H H 114 8.630 8.630 8.229 0.401 25642 6568 1 14 . 1 1 115 115 GLY N N 115 113.040 113.040 110.981 2.059 25642 6569 1 14 . 1 1 115 115 GLY C C 115 171.140 171.140 172.429 -1.289 25642 6570 1 14 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.137 0.013 25642 6571 1 14 . 1 1 115 115 GLY H H 115 8.880 8.880 8.071 0.809 25642 6572 1 14 . 1 1 116 116 ASP N N 116 117.450 117.450 122.727 -5.277 25642 6573 1 14 . 1 1 116 116 ASP C C 116 176.850 176.850 175.539 1.311 25642 6574 1 14 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.120 0.240 25642 6575 1 14 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.628 0.742 25642 6576 1 14 . 1 1 116 116 ASP H H 116 7.390 7.390 7.993 -0.603 25642 6577 1 14 . 1 1 117 117 ILE N N 117 121.440 121.440 125.905 -4.465 25642 6578 1 14 . 1 1 117 117 ILE C C 117 176.780 176.780 174.991 1.789 25642 6579 1 14 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.888 0.832 25642 6580 1 14 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.928 -2.298 25642 6581 1 14 . 1 1 117 117 ILE H H 117 9.200 9.200 8.159 1.041 25642 6582 1 14 . 1 1 118 118 THR N N 118 131.550 131.550 122.001 9.549 25642 6583 1 14 . 1 1 118 118 THR C C 118 173.630 173.630 173.074 0.556 25642 6584 1 14 . 1 1 118 118 THR CA C 118 62.110 62.110 61.572 0.538 25642 6585 1 14 . 1 1 118 118 THR CB C 118 67.860 67.860 69.576 -1.716 25642 6586 1 14 . 1 1 118 118 THR H H 118 9.560 9.560 8.344 1.216 25642 6587 1 14 . 1 1 119 119 HIS N N 119 121.300 121.300 122.352 -1.052 25642 6588 1 14 . 1 1 119 119 HIS C C 119 174.780 174.780 174.223 0.557 25642 6589 1 14 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.225 2.625 25642 6590 1 14 . 1 1 119 119 HIS CB C 119 32.550 32.550 33.060 -0.510 25642 6591 1 14 . 1 1 119 119 HIS H H 119 8.290 8.290 7.919 0.371 25642 6592 1 14 . 1 1 120 120 GLU N N 120 118.130 118.130 118.342 -0.212 25642 6593 1 14 . 1 1 120 120 GLU C C 120 177.120 177.120 176.933 0.187 25642 6594 1 14 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.265 1.515 25642 6595 1 14 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.796 -0.496 25642 6596 1 14 . 1 1 120 120 GLU H H 120 7.710 7.710 8.721 -1.011 25642 6597 1 14 . 1 1 121 121 GLN N N 121 117.670 117.670 117.815 -0.145 25642 6598 1 14 . 1 1 121 121 GLN C C 121 172.760 172.760 174.265 -1.505 25642 6599 1 14 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.854 1.026 25642 6600 1 14 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.222 1.358 25642 6601 1 14 . 1 1 121 121 GLN H H 121 8.950 8.950 7.940 1.010 25642 6602 1 14 . 1 1 122 122 LEU N N 122 126.250 126.250 117.679 8.571 25642 6603 1 14 . 1 1 122 122 LEU C C 122 173.300 173.300 175.236 -1.936 25642 6604 1 14 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.061 0.759 25642 6605 1 14 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.806 -0.356 25642 6606 1 14 . 1 1 122 122 LEU H H 122 8.660 8.660 8.202 0.458 25642 6607 1 14 . 1 1 123 123 ALA N N 123 126.670 126.670 123.954 2.716 25642 6608 1 14 . 1 1 123 123 ALA C C 123 175.940 175.940 174.984 0.956 25642 6609 1 14 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.294 -1.724 25642 6610 1 14 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.163 0.187 25642 6611 1 14 . 1 1 123 123 ALA H H 123 8.090 8.090 9.017 -0.927 25642 6612 1 14 . 1 1 124 124 MET N N 124 119.800 119.800 120.057 -0.257 25642 6613 1 14 . 1 1 124 124 MET C C 124 174.960 174.960 175.125 -0.165 25642 6614 1 14 . 1 1 124 124 MET CA C 124 54.770 54.770 53.669 1.101 25642 6615 1 14 . 1 1 124 124 MET CB C 124 37.620 37.620 33.988 3.632 25642 6616 1 14 . 1 1 124 124 MET H H 124 8.810 8.810 8.336 0.474 25642 6617 1 14 . 1 1 125 125 GLU N N 125 125.500 125.500 123.540 1.960 25642 6618 1 14 . 1 1 125 125 GLU C C 125 175.410 175.410 175.748 -0.338 25642 6619 1 14 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.007 0.663 25642 6620 1 14 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.321 0.189 25642 6621 1 14 . 1 1 125 125 GLU H H 125 8.760 8.760 8.061 0.699 25642 6622 1 14 . 1 1 126 126 THR N N 126 118.440 118.440 115.625 2.815 25642 6623 1 14 . 1 1 126 126 THR C C 126 174.300 174.300 175.035 -0.735 25642 6624 1 14 . 1 1 126 126 THR CA C 126 65.870 65.870 64.288 1.582 25642 6625 1 14 . 1 1 126 126 THR CB C 126 69.050 69.050 68.918 0.132 25642 6626 1 14 . 1 1 127 127 GLY N N 127 116.970 116.970 112.208 4.762 25642 6627 1 14 . 1 1 127 127 GLY C C 127 175.320 175.320 172.829 2.491 25642 6628 1 14 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.652 0.348 25642 6629 1 14 . 1 1 128 128 ALA N N 128 124.190 124.190 123.675 0.515 25642 6630 1 14 . 1 1 128 128 ALA C C 128 177.670 177.670 175.654 2.016 25642 6631 1 14 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.211 2.429 25642 6632 1 14 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.495 0.255 25642 6633 1 14 . 1 1 128 128 ALA H H 128 7.930 7.930 7.272 0.658 25642 6634 1 14 . 1 1 129 129 PHE N N 129 127.300 127.300 125.857 1.443 25642 6635 1 14 . 1 1 129 129 PHE C C 129 173.400 173.400 173.009 0.391 25642 6636 1 14 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.356 0.534 25642 6637 1 14 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.086 -0.566 25642 6638 1 14 . 1 1 129 129 PHE H H 129 8.550 8.550 7.922 0.628 25642 6639 1 14 . 1 1 130 130 PHE N N 130 131.220 131.220 120.373 10.847 25642 6640 1 14 . 1 1 130 130 PHE C C 130 173.550 173.550 174.052 -0.502 25642 6641 1 14 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.498 -2.128 25642 6642 1 14 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.617 -1.157 25642 6643 1 14 . 1 1 130 130 PHE H H 130 8.860 8.860 7.971 0.889 25642 6644 1 14 . 1 1 131 131 GLN N N 131 130.230 130.230 124.793 5.437 25642 6645 1 14 . 1 1 131 131 GLN C C 131 173.350 173.350 174.621 -1.271 25642 6646 1 14 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.481 -1.061 25642 6647 1 14 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.310 2.690 25642 6648 1 14 . 1 1 131 131 GLN H H 131 8.840 8.840 8.560 0.280 25642 6649 1 14 . 1 1 132 132 GLY N N 132 112.460 112.460 110.259 2.201 25642 6650 1 14 . 1 1 132 132 GLY C C 132 172.750 172.750 173.096 -0.346 25642 6651 1 14 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.035 -0.565 25642 6652 1 14 . 1 1 133 133 ARG N N 133 119.950 119.950 119.864 0.086 25642 6653 1 14 . 1 1 133 133 ARG C C 133 173.910 173.910 175.729 -1.819 25642 6654 1 14 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.582 0.288 25642 6655 1 14 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.488 1.702 25642 6656 1 14 . 1 1 133 133 ARG H H 133 8.470 8.470 8.250 0.220 25642 6657 1 14 . 1 1 134 134 SER N N 134 119.120 119.120 119.684 -0.564 25642 6658 1 14 . 1 1 134 134 SER C C 134 174.260 174.260 174.026 0.234 25642 6659 1 14 . 1 1 134 134 SER CA C 134 57.140 57.140 57.346 -0.206 25642 6660 1 14 . 1 1 134 134 SER CB C 134 63.450 63.450 63.975 -0.525 25642 6661 1 14 . 1 1 134 134 SER H H 134 8.680 8.680 8.684 -0.004 25642 6662 1 14 . 1 1 135 135 LEU N N 135 127.740 127.740 129.576 -1.836 25642 6663 1 14 . 1 1 135 135 LEU C C 135 174.990 174.990 175.788 -0.798 25642 6664 1 14 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.041 -0.821 25642 6665 1 14 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.208 2.972 25642 6666 1 14 . 1 1 135 135 LEU H H 135 8.560 8.560 8.381 0.179 25642 6667 1 14 . 1 1 136 136 LYS N N 136 118.190 118.190 123.580 -5.390 25642 6668 1 14 . 1 1 136 136 LYS C C 136 178.030 178.030 176.328 1.702 25642 6669 1 14 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.394 -3.334 25642 6670 1 14 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.446 -1.436 25642 6671 1 14 . 1 1 136 136 LYS H H 136 8.180 8.180 8.429 -0.249 25642 6672 1 14 . 1 1 137 137 PHE N N 137 121.570 121.570 125.155 -3.585 25642 6673 1 14 . 1 1 137 137 PHE C C 137 176.370 176.370 175.680 0.690 25642 6674 1 14 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.356 1.584 25642 6675 1 14 . 1 1 137 137 PHE CB C 137 39.730 39.730 40.378 -0.648 25642 6676 1 14 . 1 1 137 137 PHE H H 137 7.800 7.800 8.368 -0.568 25642 6677 1 14 . 1 1 138 138 GLN N N 138 123.070 123.070 121.359 1.711 25642 6678 1 14 . 1 1 138 138 GLN H H 138 8.560 8.560 6.690 1.870 25642 6679 1 15 . 1 1 38 38 VAL C C 38 175.900 175.900 174.271 1.629 25642 6680 1 15 . 1 1 39 39 ALA N N 39 130.020 130.020 122.860 7.160 25642 6681 1 15 . 1 1 39 39 ALA C C 39 177.440 177.440 178.199 -0.759 25642 6682 1 15 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.997 1.383 25642 6683 1 15 . 1 1 39 39 ALA CB C 39 19.820 19.820 19.102 0.718 25642 6684 1 15 . 1 1 39 39 ALA H H 39 8.200 8.200 7.969 0.231 25642 6685 1 15 . 1 1 40 40 SER N N 40 115.080 115.080 118.833 -3.753 25642 6686 1 15 . 1 1 40 40 SER C C 40 173.460 173.460 173.584 -0.124 25642 6687 1 15 . 1 1 40 40 SER CA C 40 60.040 60.040 58.328 1.712 25642 6688 1 15 . 1 1 40 40 SER CB C 40 66.420 66.420 63.972 2.448 25642 6689 1 15 . 1 1 40 40 SER H H 40 7.970 7.970 8.237 -0.267 25642 6690 1 15 . 1 1 41 41 LEU N N 41 127.860 127.860 124.723 3.137 25642 6691 1 15 . 1 1 41 41 LEU C C 41 174.130 174.130 175.436 -1.306 25642 6692 1 15 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.074 0.586 25642 6693 1 15 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.443 1.857 25642 6694 1 15 . 1 1 41 41 LEU H H 41 9.490 9.490 8.307 1.183 25642 6695 1 15 . 1 1 42 42 LEU N N 42 126.730 126.730 129.533 -2.803 25642 6696 1 15 . 1 1 42 42 LEU C C 42 175.120 175.120 176.422 -1.302 25642 6697 1 15 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.189 -0.479 25642 6698 1 15 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.617 -1.157 25642 6699 1 15 . 1 1 42 42 LEU H H 42 8.640 8.640 8.349 0.291 25642 6700 1 15 . 1 1 43 43 SER N N 43 123.530 123.530 122.561 0.969 25642 6701 1 15 . 1 1 43 43 SER C C 43 172.810 172.810 175.146 -2.336 25642 6702 1 15 . 1 1 43 43 SER CA C 43 58.990 58.990 58.574 0.416 25642 6703 1 15 . 1 1 43 43 SER CB C 43 64.200 64.200 63.939 0.261 25642 6704 1 15 . 1 1 43 43 SER H H 43 9.060 9.060 8.641 0.419 25642 6705 1 15 . 1 1 44 44 ALA N N 44 119.250 119.250 121.132 -1.882 25642 6706 1 15 . 1 1 44 44 ALA C C 44 177.720 177.720 179.592 -1.872 25642 6707 1 15 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.821 0.179 25642 6708 1 15 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.859 -0.129 25642 6709 1 15 . 1 1 44 44 ALA H H 44 8.490 8.490 8.366 0.124 25642 6710 1 15 . 1 1 45 45 ASP N N 45 114.450 114.450 118.086 -3.636 25642 6711 1 15 . 1 1 45 45 ASP C C 45 175.800 175.800 174.887 0.913 25642 6712 1 15 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.233 -0.253 25642 6713 1 15 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.089 1.591 25642 6714 1 15 . 1 1 45 45 ASP H H 45 8.080 8.080 8.557 -0.477 25642 6715 1 15 . 1 1 46 46 LEU N N 46 122.200 122.200 119.653 2.547 25642 6716 1 15 . 1 1 46 46 LEU C C 46 176.290 176.290 174.622 1.668 25642 6717 1 15 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.464 0.156 25642 6718 1 15 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.747 0.213 25642 6719 1 15 . 1 1 46 46 LEU H H 46 7.860 7.860 7.268 0.592 25642 6720 1 15 . 1 1 47 47 THR N N 47 119.850 119.850 119.234 0.616 25642 6721 1 15 . 1 1 47 47 THR C C 47 174.140 174.140 173.946 0.194 25642 6722 1 15 . 1 1 47 47 THR CA C 47 61.650 61.650 60.045 1.605 25642 6723 1 15 . 1 1 47 47 THR CB C 47 71.210 71.210 70.471 0.739 25642 6724 1 15 . 1 1 47 47 THR H H 47 9.000 9.000 8.273 0.727 25642 6725 1 15 . 1 1 48 48 ILE N N 48 128.090 128.090 125.960 2.130 25642 6726 1 15 . 1 1 48 48 ILE C C 48 174.810 174.810 174.232 0.578 25642 6727 1 15 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.775 -0.625 25642 6728 1 15 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.736 0.374 25642 6729 1 15 . 1 1 48 48 ILE H H 48 9.330 9.330 8.173 1.157 25642 6730 1 15 . 1 1 49 49 GLU N N 49 129.080 129.080 124.863 4.217 25642 6731 1 15 . 1 1 49 49 GLU C C 49 175.160 175.160 177.095 -1.935 25642 6732 1 15 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.034 -0.534 25642 6733 1 15 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.237 -2.877 25642 6734 1 15 . 1 1 49 49 GLU H H 49 8.830 8.830 8.222 0.608 25642 6735 1 15 . 1 1 50 50 GLY N N 50 114.250 114.250 114.130 0.120 25642 6736 1 15 . 1 1 50 50 GLY C C 50 170.510 170.510 173.119 -2.609 25642 6737 1 15 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.179 -0.119 25642 6738 1 15 . 1 1 50 50 GLY H H 50 8.320 8.320 8.241 0.079 25642 6739 1 15 . 1 1 51 51 GLY N N 51 102.740 102.740 109.061 -6.321 25642 6740 1 15 . 1 1 51 51 GLY C C 51 174.230 174.230 173.254 0.976 25642 6741 1 15 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.160 -0.280 25642 6742 1 15 . 1 1 51 51 GLY H H 51 8.000 8.000 7.975 0.025 25642 6743 1 15 . 1 1 52 52 VAL N N 52 122.770 122.770 124.359 -1.589 25642 6744 1 15 . 1 1 52 52 VAL C C 52 175.290 175.290 174.723 0.567 25642 6745 1 15 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.397 0.773 25642 6746 1 15 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.418 0.532 25642 6747 1 15 . 1 1 52 52 VAL H H 52 8.550 8.550 8.071 0.479 25642 6748 1 15 . 1 1 53 53 THR N N 53 121.860 121.860 121.156 0.704 25642 6749 1 15 . 1 1 53 53 THR C C 53 173.790 173.790 174.131 -0.341 25642 6750 1 15 . 1 1 53 53 THR CA C 53 60.580 60.580 59.947 0.633 25642 6751 1 15 . 1 1 53 53 THR CB C 53 72.310 72.310 70.266 2.044 25642 6752 1 15 . 1 1 53 53 THR H H 53 9.150 9.150 8.286 0.864 25642 6753 1 15 . 1 1 54 54 GLY N N 54 112.960 112.960 112.115 0.845 25642 6754 1 15 . 1 1 54 54 GLY C C 54 172.530 172.530 172.114 0.416 25642 6755 1 15 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.541 0.329 25642 6756 1 15 . 1 1 54 54 GLY H H 54 9.080 9.080 7.910 1.170 25642 6757 1 15 . 1 1 55 55 GLU N N 55 118.200 118.200 117.416 0.784 25642 6758 1 15 . 1 1 55 55 GLU C C 55 177.350 177.350 175.078 2.272 25642 6759 1 15 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.203 -0.103 25642 6760 1 15 . 1 1 55 55 GLU CB C 55 31.140 31.140 29.070 2.070 25642 6761 1 15 . 1 1 55 55 GLU H H 55 8.790 8.790 8.617 0.173 25642 6762 1 15 . 1 1 56 56 GLY N N 56 109.740 109.740 109.431 0.309 25642 6763 1 15 . 1 1 56 56 GLY C C 56 173.400 173.400 172.562 0.838 25642 6764 1 15 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.848 -1.158 25642 6765 1 15 . 1 1 56 56 GLY H H 56 8.580 8.580 7.821 0.759 25642 6766 1 15 . 1 1 57 57 GLU N N 57 122.180 122.180 122.810 -0.630 25642 6767 1 15 . 1 1 57 57 GLU C C 57 175.970 175.970 174.582 1.388 25642 6768 1 15 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.578 -0.478 25642 6769 1 15 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.997 0.773 25642 6770 1 15 . 1 1 57 57 GLU H H 57 8.810 8.810 8.173 0.637 25642 6771 1 15 . 1 1 58 58 LEU N N 58 126.040 126.040 128.210 -2.170 25642 6772 1 15 . 1 1 58 58 LEU C C 58 173.100 173.100 174.878 -1.778 25642 6773 1 15 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.351 0.329 25642 6774 1 15 . 1 1 58 58 LEU CB C 58 46.440 46.440 43.191 3.249 25642 6775 1 15 . 1 1 58 58 LEU H H 58 8.720 8.720 8.231 0.489 25642 6776 1 15 . 1 1 59 59 GLN N N 59 127.940 127.940 128.508 -0.568 25642 6777 1 15 . 1 1 59 59 GLN C C 59 174.540 174.540 174.109 0.431 25642 6778 1 15 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.359 -0.519 25642 6779 1 15 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.295 0.495 25642 6780 1 15 . 1 1 59 59 GLN H H 59 8.400 8.400 8.251 0.149 25642 6781 1 15 . 1 1 60 60 ILE N N 60 124.610 124.610 126.661 -2.051 25642 6782 1 15 . 1 1 60 60 ILE C C 60 174.340 174.340 173.070 1.270 25642 6783 1 15 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.242 2.088 25642 6784 1 15 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.388 -0.638 25642 6785 1 15 . 1 1 60 60 ILE H H 60 9.100 9.100 8.290 0.810 25642 6786 1 15 . 1 1 61 61 ASP N N 61 127.350 127.350 127.431 -0.081 25642 6787 1 15 . 1 1 61 61 ASP C C 61 176.210 176.210 175.090 1.120 25642 6788 1 15 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.245 0.655 25642 6789 1 15 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.273 1.207 25642 6790 1 15 . 1 1 61 61 ASP H H 61 9.070 9.070 8.219 0.851 25642 6791 1 15 . 1 1 62 62 GLY N N 62 110.340 110.340 107.239 3.101 25642 6792 1 15 . 1 1 62 62 GLY C C 62 170.870 170.870 172.410 -1.540 25642 6793 1 15 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.285 1.205 25642 6794 1 15 . 1 1 62 62 GLY H H 62 6.590 6.590 7.717 -1.127 25642 6795 1 15 . 1 1 63 63 VAL N N 63 122.570 122.570 117.147 5.423 25642 6796 1 15 . 1 1 63 63 VAL C C 63 176.030 176.030 174.658 1.372 25642 6797 1 15 . 1 1 63 63 VAL CA C 63 61.010 61.010 59.628 1.382 25642 6798 1 15 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.811 2.039 25642 6799 1 15 . 1 1 63 63 VAL H H 63 8.070 8.070 7.733 0.337 25642 6800 1 15 . 1 1 64 64 VAL N N 64 125.470 125.470 128.641 -3.171 25642 6801 1 15 . 1 1 64 64 VAL C C 64 174.410 174.410 174.354 0.056 25642 6802 1 15 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.956 -0.736 25642 6803 1 15 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.961 2.729 25642 6804 1 15 . 1 1 64 64 VAL H H 64 9.010 9.010 7.959 1.051 25642 6805 1 15 . 1 1 65 65 LYS N N 65 129.120 129.120 128.931 0.189 25642 6806 1 15 . 1 1 65 65 LYS C C 65 175.120 175.120 175.551 -0.431 25642 6807 1 15 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.439 -0.129 25642 6808 1 15 . 1 1 65 65 LYS CB C 65 32.440 32.440 33.625 -1.185 25642 6809 1 15 . 1 1 65 65 LYS H H 65 9.150 9.150 8.053 1.097 25642 6810 1 15 . 1 1 66 66 GLY N N 66 115.020 115.020 113.445 1.575 25642 6811 1 15 . 1 1 66 66 GLY C C 66 170.210 170.210 172.080 -1.870 25642 6812 1 15 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.463 -0.983 25642 6813 1 15 . 1 1 66 66 GLY H H 66 8.300 8.300 7.761 0.539 25642 6814 1 15 . 1 1 67 67 ASP N N 67 115.420 115.420 121.484 -6.064 25642 6815 1 15 . 1 1 67 67 ASP C C 67 176.920 176.920 175.200 1.720 25642 6816 1 15 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.258 1.071 25642 6817 1 15 . 1 1 67 67 ASP CB C 67 41.950 41.950 44.444 -2.494 25642 6818 1 15 . 1 1 67 67 ASP H H 67 7.690 7.690 8.365 -0.675 25642 6819 1 15 . 1 1 68 68 VAL N N 68 122.440 122.440 118.636 3.804 25642 6820 1 15 . 1 1 68 68 VAL C C 68 174.450 174.450 174.161 0.289 25642 6821 1 15 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.086 -0.116 25642 6822 1 15 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.052 0.188 25642 6823 1 15 . 1 1 68 68 VAL H H 68 8.930 8.930 7.981 0.949 25642 6824 1 15 . 1 1 69 69 ARG N N 69 130.610 130.610 128.521 2.089 25642 6825 1 15 . 1 1 69 69 ARG C C 69 175.150 175.150 173.937 1.213 25642 6826 1 15 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.550 0.270 25642 6827 1 15 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.082 -1.082 25642 6828 1 15 . 1 1 69 69 ARG H H 69 9.110 9.110 8.403 0.707 25642 6829 1 15 . 1 1 70 70 VAL N N 70 114.530 114.530 123.071 -8.541 25642 6830 1 15 . 1 1 70 70 VAL C C 70 175.440 175.440 173.991 1.449 25642 6831 1 15 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.096 -1.696 25642 6832 1 15 . 1 1 70 70 VAL CB C 70 35.370 35.370 34.805 0.565 25642 6833 1 15 . 1 1 70 70 VAL H H 70 8.290 8.290 7.617 0.673 25642 6834 1 15 . 1 1 71 71 GLY N N 71 108.150 108.150 109.163 -1.013 25642 6835 1 15 . 1 1 71 71 GLY C C 71 174.710 174.710 173.912 0.798 25642 6836 1 15 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.266 1.634 25642 6837 1 15 . 1 1 71 71 GLY H H 71 8.110 8.110 8.529 -0.419 25642 6838 1 15 . 1 1 72 72 ARG N N 72 120.660 120.660 120.088 0.572 25642 6839 1 15 . 1 1 72 72 ARG C C 72 173.620 173.620 174.380 -0.760 25642 6840 1 15 . 1 1 72 72 ARG CA C 72 55.320 55.320 55.025 0.295 25642 6841 1 15 . 1 1 72 72 ARG CB C 72 33.780 33.780 33.407 0.373 25642 6842 1 15 . 1 1 72 72 ARG H H 72 7.690 7.690 8.227 -0.537 25642 6843 1 15 . 1 1 73 73 LEU N N 73 125.710 125.710 126.402 -0.692 25642 6844 1 15 . 1 1 73 73 LEU C C 73 175.230 175.230 174.751 0.479 25642 6845 1 15 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.698 -1.148 25642 6846 1 15 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.727 0.803 25642 6847 1 15 . 1 1 73 73 LEU H H 73 8.570 8.570 8.324 0.246 25642 6848 1 15 . 1 1 74 74 THR N N 74 123.150 123.150 121.558 1.592 25642 6849 1 15 . 1 1 74 74 THR C C 74 173.670 173.670 174.156 -0.486 25642 6850 1 15 . 1 1 74 74 THR CA C 74 61.480 61.480 60.044 1.436 25642 6851 1 15 . 1 1 74 74 THR CB C 74 70.710 70.710 70.058 0.652 25642 6852 1 15 . 1 1 74 74 THR H H 74 8.860 8.860 9.186 -0.326 25642 6853 1 15 . 1 1 75 75 VAL N N 75 127.890 127.890 126.394 1.496 25642 6854 1 15 . 1 1 75 75 VAL C C 75 176.800 176.800 177.114 -0.314 25642 6855 1 15 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.987 -0.857 25642 6856 1 15 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.274 2.566 25642 6857 1 15 . 1 1 75 75 VAL H H 75 8.910 8.910 8.508 0.402 25642 6858 1 15 . 1 1 76 76 GLY N N 76 116.590 116.590 115.980 0.610 25642 6859 1 15 . 1 1 76 76 GLY C C 76 174.060 174.060 174.515 -0.455 25642 6860 1 15 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.580 -0.349 25642 6861 1 15 . 1 1 76 76 GLY H H 76 8.980 8.980 9.148 -0.168 25642 6862 1 15 . 1 1 77 77 GLU N N 77 121.140 121.140 118.546 2.594 25642 6863 1 15 . 1 1 77 77 GLU C C 77 178.620 178.620 178.327 0.293 25642 6864 1 15 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.211 2.289 25642 6865 1 15 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.784 0.336 25642 6866 1 15 . 1 1 77 77 GLU H H 77 9.260 9.260 8.228 1.032 25642 6867 1 15 . 1 1 78 78 THR N N 78 105.330 105.330 109.644 -4.314 25642 6868 1 15 . 1 1 78 78 THR C C 78 174.990 174.990 175.505 -0.515 25642 6869 1 15 . 1 1 78 78 THR CA C 78 62.040 62.040 63.139 -1.099 25642 6870 1 15 . 1 1 78 78 THR CB C 78 69.880 69.880 68.173 1.707 25642 6871 1 15 . 1 1 78 78 THR H H 78 8.010 8.010 7.962 0.048 25642 6872 1 15 . 1 1 79 79 GLY N N 79 111.420 111.420 110.938 0.482 25642 6873 1 15 . 1 1 79 79 GLY C C 79 174.270 174.270 174.294 -0.024 25642 6874 1 15 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.947 -0.696 25642 6875 1 15 . 1 1 79 79 GLY H H 79 8.240 8.240 8.359 -0.119 25642 6876 1 15 . 1 1 80 80 HIS N N 80 123.970 123.970 118.332 5.638 25642 6877 1 15 . 1 1 80 80 HIS C C 80 173.800 173.800 173.976 -0.176 25642 6878 1 15 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.444 0.416 25642 6879 1 15 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.971 4.099 25642 6880 1 15 . 1 1 80 80 HIS H H 80 8.860 8.860 7.556 1.304 25642 6881 1 15 . 1 1 81 81 VAL N N 81 125.720 125.720 126.310 -0.590 25642 6882 1 15 . 1 1 81 81 VAL C C 81 174.580 174.580 173.518 1.062 25642 6883 1 15 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.574 -1.914 25642 6884 1 15 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.810 0.050 25642 6885 1 15 . 1 1 81 81 VAL H H 81 8.900 8.900 8.311 0.589 25642 6886 1 15 . 1 1 82 82 GLU N N 82 129.500 129.500 127.700 1.800 25642 6887 1 15 . 1 1 82 82 GLU C C 82 175.200 175.200 175.543 -0.343 25642 6888 1 15 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.146 -1.246 25642 6889 1 15 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.825 -1.954 25642 6890 1 15 . 1 1 82 82 GLU H H 82 9.270 9.270 8.562 0.708 25642 6891 1 15 . 1 1 83 83 GLY N N 83 114.070 114.070 111.416 2.654 25642 6892 1 15 . 1 1 83 83 GLY C C 83 171.310 171.310 172.416 -1.106 25642 6893 1 15 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.197 -0.247 25642 6894 1 15 . 1 1 83 83 GLY H H 83 8.450 8.450 7.957 0.493 25642 6895 1 15 . 1 1 84 84 SER N N 84 113.810 113.810 117.155 -3.345 25642 6896 1 15 . 1 1 84 84 SER C C 84 173.140 173.140 173.871 -0.731 25642 6897 1 15 . 1 1 84 84 SER CA C 84 57.720 57.720 58.105 -0.385 25642 6898 1 15 . 1 1 84 84 SER CB C 84 64.950 64.950 65.036 -0.086 25642 6899 1 15 . 1 1 84 84 SER H H 84 8.320 8.320 8.292 0.028 25642 6900 1 15 . 1 1 85 85 VAL N N 85 121.060 121.060 123.235 -2.175 25642 6901 1 15 . 1 1 85 85 VAL C C 85 174.960 174.960 173.682 1.278 25642 6902 1 15 . 1 1 85 85 VAL CA C 85 60.420 60.420 62.014 -1.594 25642 6903 1 15 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.869 1.031 25642 6904 1 15 . 1 1 85 85 VAL H H 85 8.730 8.730 7.916 0.814 25642 6905 1 15 . 1 1 86 86 TYR N N 86 129.090 129.090 127.616 1.474 25642 6906 1 15 . 1 1 86 86 TYR C C 86 174.420 174.420 174.646 -0.226 25642 6907 1 15 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.996 0.464 25642 6908 1 15 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.352 0.498 25642 6909 1 15 . 1 1 86 86 TYR H H 86 9.580 9.580 8.847 0.733 25642 6910 1 15 . 1 1 87 87 ALA N N 87 122.670 122.670 125.625 -2.955 25642 6911 1 15 . 1 1 87 87 ALA C C 87 177.320 177.320 175.880 1.440 25642 6912 1 15 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.004 0.256 25642 6913 1 15 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.018 0.432 25642 6914 1 15 . 1 1 87 87 ALA H H 87 8.080 8.080 8.344 -0.264 25642 6915 1 15 . 1 1 88 88 GLU N N 88 120.180 120.180 118.570 1.610 25642 6916 1 15 . 1 1 88 88 GLU C C 88 177.310 177.310 176.511 0.799 25642 6917 1 15 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.421 1.769 25642 6918 1 15 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.958 -1.308 25642 6919 1 15 . 1 1 88 88 GLU H H 88 8.640 8.640 8.517 0.123 25642 6920 1 15 . 1 1 89 89 ALA N N 89 118.770 118.770 119.364 -0.594 25642 6921 1 15 . 1 1 89 89 ALA C C 89 175.890 175.890 175.150 0.740 25642 6922 1 15 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.912 0.598 25642 6923 1 15 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.887 -0.617 25642 6924 1 15 . 1 1 89 89 ALA H H 89 7.340 7.340 7.767 -0.427 25642 6925 1 15 . 1 1 90 90 VAL N N 90 119.720 119.720 121.125 -1.405 25642 6926 1 15 . 1 1 90 90 VAL C C 90 174.710 174.710 173.468 1.242 25642 6927 1 15 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.878 -0.358 25642 6928 1 15 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.769 0.221 25642 6929 1 15 . 1 1 90 90 VAL H H 90 8.490 8.490 8.105 0.385 25642 6930 1 15 . 1 1 91 91 GLU N N 91 128.200 128.200 128.398 -0.198 25642 6931 1 15 . 1 1 91 91 GLU C C 91 175.470 175.470 175.586 -0.116 25642 6932 1 15 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.387 0.403 25642 6933 1 15 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.876 -0.196 25642 6934 1 15 . 1 1 91 91 GLU H H 91 9.070 9.070 9.181 -0.111 25642 6935 1 15 . 1 1 92 92 VAL N N 92 122.080 122.080 123.915 -1.835 25642 6936 1 15 . 1 1 92 92 VAL C C 92 174.490 174.490 174.919 -0.429 25642 6937 1 15 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.031 1.629 25642 6938 1 15 . 1 1 92 92 VAL CB C 92 33.090 33.090 33.252 -0.162 25642 6939 1 15 . 1 1 92 92 VAL H H 92 9.450 9.450 8.344 1.106 25642 6940 1 15 . 1 1 93 93 ARG N N 93 123.900 123.900 124.373 -0.473 25642 6941 1 15 . 1 1 93 93 ARG C C 93 176.280 176.280 174.899 1.381 25642 6942 1 15 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.224 1.066 25642 6943 1 15 . 1 1 93 93 ARG CB C 93 30.890 30.890 32.230 -1.340 25642 6944 1 15 . 1 1 93 93 ARG H H 93 9.200 9.200 8.280 0.920 25642 6945 1 15 . 1 1 94 94 GLY N N 94 111.100 111.100 105.612 5.488 25642 6946 1 15 . 1 1 94 94 GLY C C 94 170.710 170.710 172.051 -1.341 25642 6947 1 15 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.853 0.937 25642 6948 1 15 . 1 1 94 94 GLY H H 94 6.250 6.250 8.114 -1.864 25642 6949 1 15 . 1 1 95 95 ARG N N 95 126.190 126.190 119.491 6.699 25642 6950 1 15 . 1 1 95 95 ARG C C 95 175.570 175.570 174.744 0.826 25642 6951 1 15 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.706 -1.036 25642 6952 1 15 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.804 1.116 25642 6953 1 15 . 1 1 95 95 ARG H H 95 8.140 8.140 7.769 0.371 25642 6954 1 15 . 1 1 96 96 VAL N N 96 124.800 124.800 123.230 1.570 25642 6955 1 15 . 1 1 96 96 VAL C C 96 174.070 174.070 173.394 0.676 25642 6956 1 15 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.345 0.815 25642 6957 1 15 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.014 0.846 25642 6958 1 15 . 1 1 96 96 VAL H H 96 9.430 9.430 8.932 0.498 25642 6959 1 15 . 1 1 97 97 VAL N N 97 128.010 128.010 124.873 3.137 25642 6960 1 15 . 1 1 97 97 VAL C C 97 176.430 176.430 174.855 1.575 25642 6961 1 15 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.150 1.930 25642 6962 1 15 . 1 1 97 97 VAL CB C 97 33.630 33.630 31.830 1.800 25642 6963 1 15 . 1 1 97 97 VAL H H 97 9.260 9.260 8.747 0.513 25642 6964 1 15 . 1 1 98 98 GLY N N 98 116.340 116.340 115.389 0.951 25642 6965 1 15 . 1 1 98 98 GLY C C 98 171.770 171.770 172.088 -0.318 25642 6966 1 15 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.319 -0.429 25642 6967 1 15 . 1 1 98 98 GLY H H 98 8.600 8.600 8.029 0.571 25642 6968 1 15 . 1 1 99 99 ALA N N 99 124.110 124.110 123.446 0.664 25642 6969 1 15 . 1 1 99 99 ALA C C 99 176.060 176.060 174.733 1.327 25642 6970 1 15 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.871 -0.181 25642 6971 1 15 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.008 -0.308 25642 6972 1 15 . 1 1 99 99 ALA H H 99 8.110 8.110 7.710 0.400 25642 6973 1 15 . 1 1 100 100 ILE N N 100 119.340 119.340 116.247 3.093 25642 6974 1 15 . 1 1 100 100 ILE C C 100 174.770 174.770 173.510 1.260 25642 6975 1 15 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.658 0.962 25642 6976 1 15 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.818 0.502 25642 6977 1 15 . 1 1 100 100 ILE H H 100 8.910 8.910 8.145 0.765 25642 6978 1 15 . 1 1 101 101 THR N N 101 127.010 127.010 121.263 5.747 25642 6979 1 15 . 1 1 101 101 THR C C 101 173.980 173.980 173.308 0.672 25642 6980 1 15 . 1 1 101 101 THR CA C 101 61.620 61.620 61.529 0.091 25642 6981 1 15 . 1 1 101 101 THR CB C 101 69.700 69.700 70.884 -1.184 25642 6982 1 15 . 1 1 101 101 THR H H 101 8.950 8.950 8.891 0.059 25642 6983 1 15 . 1 1 102 102 SER N N 102 119.870 119.870 120.108 -0.238 25642 6984 1 15 . 1 1 102 102 SER C C 102 174.000 174.000 173.239 0.761 25642 6985 1 15 . 1 1 102 102 SER CA C 102 56.190 56.190 56.055 0.135 25642 6986 1 15 . 1 1 102 102 SER CB C 102 64.710 64.710 66.066 -1.356 25642 6987 1 15 . 1 1 102 102 SER H H 102 8.800 8.800 8.297 0.503 25642 6988 1 15 . 1 1 103 103 LYS N N 103 124.650 124.650 120.980 3.670 25642 6989 1 15 . 1 1 103 103 LYS C C 103 177.200 177.200 176.144 1.056 25642 6990 1 15 . 1 1 103 103 LYS CA C 103 61.300 61.300 56.797 4.503 25642 6991 1 15 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.502 -0.992 25642 6992 1 15 . 1 1 103 103 LYS H H 103 7.560 7.560 8.511 -0.951 25642 6993 1 15 . 1 1 104 104 GLN N N 104 115.370 115.370 118.604 -3.234 25642 6994 1 15 . 1 1 104 104 GLN C C 104 174.650 174.650 173.822 0.828 25642 6995 1 15 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.801 0.059 25642 6996 1 15 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.468 -0.588 25642 6997 1 15 . 1 1 104 104 GLN H H 104 7.650 7.650 7.867 -0.217 25642 6998 1 15 . 1 1 105 105 VAL N N 105 125.510 125.510 126.374 -0.864 25642 6999 1 15 . 1 1 105 105 VAL C C 105 174.530 174.530 174.443 0.087 25642 7000 1 15 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.429 -0.509 25642 7001 1 15 . 1 1 105 105 VAL CB C 105 35.000 35.000 34.300 0.700 25642 7002 1 15 . 1 1 105 105 VAL H H 105 8.670 8.670 8.397 0.273 25642 7003 1 15 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.277 0.773 25642 7004 1 15 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.282 1.458 25642 7005 1 15 . 1 1 106 106 ARG H H 106 8.560 8.560 8.502 0.058 25642 7006 1 15 . 1 1 107 107 LEU N N 107 125.820 125.820 126.923 -1.103 25642 7007 1 15 . 1 1 107 107 LEU C C 107 176.190 176.190 175.374 0.816 25642 7008 1 15 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.123 -0.553 25642 7009 1 15 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.848 0.282 25642 7010 1 15 . 1 1 107 107 LEU H H 107 8.730 8.730 8.011 0.719 25642 7011 1 15 . 1 1 108 108 TYR N N 108 120.870 120.870 123.365 -2.495 25642 7012 1 15 . 1 1 108 108 TYR C C 108 178.880 178.880 177.309 1.571 25642 7013 1 15 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.489 1.041 25642 7014 1 15 . 1 1 108 108 TYR CB C 108 39.780 39.780 39.909 -0.129 25642 7015 1 15 . 1 1 108 108 TYR H H 108 8.280 8.280 7.679 0.601 25642 7016 1 15 . 1 1 109 109 GLY N N 109 112.380 112.380 109.597 2.783 25642 7017 1 15 . 1 1 109 109 GLY C C 109 172.330 172.330 175.253 -2.923 25642 7018 1 15 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.503 1.777 25642 7019 1 15 . 1 1 109 109 GLY H H 109 10.080 10.080 8.827 1.253 25642 7020 1 15 . 1 1 110 110 THR N N 110 103.280 103.280 118.682 -15.402 25642 7021 1 15 . 1 1 110 110 THR C C 110 175.370 175.370 174.921 0.449 25642 7022 1 15 . 1 1 110 110 THR CA C 110 61.220 61.220 62.626 -1.406 25642 7023 1 15 . 1 1 110 110 THR CB C 110 70.160 70.160 67.497 2.663 25642 7024 1 15 . 1 1 110 110 THR H H 110 6.910 6.910 8.557 -1.647 25642 7025 1 15 . 1 1 111 111 SER N N 111 118.040 118.040 116.709 1.331 25642 7026 1 15 . 1 1 111 111 SER C C 111 174.740 174.740 173.640 1.100 25642 7027 1 15 . 1 1 111 111 SER CA C 111 59.070 59.070 59.283 -0.213 25642 7028 1 15 . 1 1 111 111 SER CB C 111 67.870 67.870 63.936 3.934 25642 7029 1 15 . 1 1 111 111 SER H H 111 7.960 7.960 7.954 0.006 25642 7030 1 15 . 1 1 112 112 TYR N N 112 124.220 124.220 125.299 -1.079 25642 7031 1 15 . 1 1 112 112 TYR C C 112 174.090 174.090 173.651 0.439 25642 7032 1 15 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.917 0.493 25642 7033 1 15 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.491 -0.801 25642 7034 1 15 . 1 1 112 112 TYR H H 112 8.720 8.720 8.567 0.153 25642 7035 1 15 . 1 1 113 113 VAL N N 113 129.090 129.090 127.326 1.764 25642 7036 1 15 . 1 1 113 113 VAL C C 113 173.870 173.870 174.267 -0.397 25642 7037 1 15 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.170 0.869 25642 7038 1 15 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.944 0.986 25642 7039 1 15 . 1 1 113 113 VAL H H 113 9.640 9.640 7.666 1.974 25642 7040 1 15 . 1 1 114 114 ASP N N 114 127.460 127.460 126.968 0.492 25642 7041 1 15 . 1 1 114 114 ASP C C 114 176.250 176.250 175.326 0.924 25642 7042 1 15 . 1 1 114 114 ASP CA C 114 51.470 51.470 53.364 -1.894 25642 7043 1 15 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.359 -0.140 25642 7044 1 15 . 1 1 114 114 ASP H H 114 8.630 8.630 7.997 0.633 25642 7045 1 15 . 1 1 115 115 GLY N N 115 113.040 113.040 109.776 3.264 25642 7046 1 15 . 1 1 115 115 GLY C C 115 171.140 171.140 172.459 -1.319 25642 7047 1 15 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.443 -0.293 25642 7048 1 15 . 1 1 115 115 GLY H H 115 8.880 8.880 8.035 0.845 25642 7049 1 15 . 1 1 116 116 ASP N N 116 117.450 117.450 123.245 -5.795 25642 7050 1 15 . 1 1 116 116 ASP C C 116 176.850 176.850 175.015 1.835 25642 7051 1 15 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.539 -0.180 25642 7052 1 15 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.092 1.278 25642 7053 1 15 . 1 1 116 116 ASP H H 116 7.390 7.390 8.057 -0.667 25642 7054 1 15 . 1 1 117 117 ILE N N 117 121.440 121.440 125.603 -4.163 25642 7055 1 15 . 1 1 117 117 ILE C C 117 176.780 176.780 173.557 3.223 25642 7056 1 15 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.530 1.190 25642 7057 1 15 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.709 -2.079 25642 7058 1 15 . 1 1 117 117 ILE H H 117 9.200 9.200 7.817 1.383 25642 7059 1 15 . 1 1 118 118 THR N N 118 131.550 131.550 125.469 6.081 25642 7060 1 15 . 1 1 118 118 THR C C 118 173.630 173.630 172.964 0.666 25642 7061 1 15 . 1 1 118 118 THR CA C 118 62.110 62.110 60.645 1.464 25642 7062 1 15 . 1 1 118 118 THR CB C 118 67.860 67.860 70.813 -2.953 25642 7063 1 15 . 1 1 118 118 THR H H 118 9.560 9.560 8.472 1.088 25642 7064 1 15 . 1 1 119 119 HIS N N 119 121.300 121.300 121.345 -0.045 25642 7065 1 15 . 1 1 119 119 HIS C C 119 174.780 174.780 173.849 0.931 25642 7066 1 15 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.544 1.306 25642 7067 1 15 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.723 0.827 25642 7068 1 15 . 1 1 119 119 HIS H H 119 8.290 8.290 8.252 0.038 25642 7069 1 15 . 1 1 120 120 GLU N N 120 118.130 118.130 118.851 -0.721 25642 7070 1 15 . 1 1 120 120 GLU C C 120 177.120 177.120 176.582 0.538 25642 7071 1 15 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.878 1.902 25642 7072 1 15 . 1 1 120 120 GLU CB C 120 30.300 30.300 31.053 -0.753 25642 7073 1 15 . 1 1 120 120 GLU H H 120 7.710 7.710 8.668 -0.958 25642 7074 1 15 . 1 1 121 121 GLN N N 121 117.670 117.670 118.445 -0.775 25642 7075 1 15 . 1 1 121 121 GLN C C 121 172.760 172.760 173.975 -1.215 25642 7076 1 15 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.556 1.324 25642 7077 1 15 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.220 1.361 25642 7078 1 15 . 1 1 121 121 GLN H H 121 8.950 8.950 7.694 1.256 25642 7079 1 15 . 1 1 122 122 LEU N N 122 126.250 126.250 119.726 6.524 25642 7080 1 15 . 1 1 122 122 LEU C C 122 173.300 173.300 175.700 -2.400 25642 7081 1 15 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.034 0.786 25642 7082 1 15 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.573 0.877 25642 7083 1 15 . 1 1 122 122 LEU H H 122 8.660 8.660 8.329 0.331 25642 7084 1 15 . 1 1 123 123 ALA N N 123 126.670 126.670 126.328 0.342 25642 7085 1 15 . 1 1 123 123 ALA C C 123 175.940 175.940 175.774 0.166 25642 7086 1 15 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.949 -2.379 25642 7087 1 15 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.323 1.028 25642 7088 1 15 . 1 1 123 123 ALA H H 123 8.090 8.090 8.387 -0.297 25642 7089 1 15 . 1 1 124 124 MET N N 124 119.800 119.800 121.223 -1.423 25642 7090 1 15 . 1 1 124 124 MET C C 124 174.960 174.960 175.336 -0.376 25642 7091 1 15 . 1 1 124 124 MET CA C 124 54.770 54.770 52.872 1.898 25642 7092 1 15 . 1 1 124 124 MET CB C 124 37.620 37.620 33.322 4.298 25642 7093 1 15 . 1 1 124 124 MET H H 124 8.810 8.810 8.420 0.390 25642 7094 1 15 . 1 1 125 125 GLU N N 125 125.500 125.500 122.298 3.202 25642 7095 1 15 . 1 1 125 125 GLU C C 125 175.410 175.410 175.405 0.005 25642 7096 1 15 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.283 0.387 25642 7097 1 15 . 1 1 125 125 GLU CB C 125 31.510 31.510 32.688 -1.178 25642 7098 1 15 . 1 1 125 125 GLU H H 125 8.760 8.760 8.345 0.415 25642 7099 1 15 . 1 1 126 126 THR N N 126 118.440 118.440 115.270 3.170 25642 7100 1 15 . 1 1 126 126 THR C C 126 174.300 174.300 174.891 -0.591 25642 7101 1 15 . 1 1 126 126 THR CA C 126 65.870 65.870 64.478 1.392 25642 7102 1 15 . 1 1 126 126 THR CB C 126 69.050 69.050 69.164 -0.114 25642 7103 1 15 . 1 1 127 127 GLY N N 127 116.970 116.970 112.349 4.621 25642 7104 1 15 . 1 1 127 127 GLY C C 127 175.320 175.320 173.023 2.297 25642 7105 1 15 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.913 0.087 25642 7106 1 15 . 1 1 128 128 ALA N N 128 124.190 124.190 123.713 0.477 25642 7107 1 15 . 1 1 128 128 ALA C C 128 177.670 177.670 176.018 1.652 25642 7108 1 15 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.337 2.303 25642 7109 1 15 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.905 -0.155 25642 7110 1 15 . 1 1 128 128 ALA H H 128 7.930 7.930 7.352 0.578 25642 7111 1 15 . 1 1 129 129 PHE N N 129 127.300 127.300 126.622 0.678 25642 7112 1 15 . 1 1 129 129 PHE C C 129 173.400 173.400 173.532 -0.132 25642 7113 1 15 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.934 -0.044 25642 7114 1 15 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.797 -1.277 25642 7115 1 15 . 1 1 129 129 PHE H H 129 8.550 8.550 8.991 -0.441 25642 7116 1 15 . 1 1 130 130 PHE N N 130 131.220 131.220 120.554 10.666 25642 7117 1 15 . 1 1 130 130 PHE C C 130 173.550 173.550 173.891 -0.341 25642 7118 1 15 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.217 -1.847 25642 7119 1 15 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.443 -0.983 25642 7120 1 15 . 1 1 130 130 PHE H H 130 8.860 8.860 7.629 1.231 25642 7121 1 15 . 1 1 131 131 GLN N N 131 130.230 130.230 124.797 5.433 25642 7122 1 15 . 1 1 131 131 GLN C C 131 173.350 173.350 174.654 -1.304 25642 7123 1 15 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.628 -1.208 25642 7124 1 15 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.337 2.663 25642 7125 1 15 . 1 1 131 131 GLN H H 131 8.840 8.840 8.546 0.294 25642 7126 1 15 . 1 1 132 132 GLY N N 132 112.460 112.460 110.288 2.172 25642 7127 1 15 . 1 1 132 132 GLY C C 132 172.750 172.750 172.522 0.228 25642 7128 1 15 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.068 -0.598 25642 7129 1 15 . 1 1 133 133 ARG N N 133 119.950 119.950 120.459 -0.509 25642 7130 1 15 . 1 1 133 133 ARG C C 133 173.910 173.910 175.600 -1.690 25642 7131 1 15 . 1 1 133 133 ARG CA C 133 55.870 55.870 54.798 1.071 25642 7132 1 15 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.688 1.502 25642 7133 1 15 . 1 1 133 133 ARG H H 133 8.470 8.470 8.126 0.344 25642 7134 1 15 . 1 1 134 134 SER N N 134 119.120 119.120 120.997 -1.877 25642 7135 1 15 . 1 1 134 134 SER C C 134 174.260 174.260 174.244 0.016 25642 7136 1 15 . 1 1 134 134 SER CA C 134 57.140 57.140 57.606 -0.466 25642 7137 1 15 . 1 1 134 134 SER CB C 134 63.450 63.450 63.654 -0.204 25642 7138 1 15 . 1 1 134 134 SER H H 134 8.680 8.680 8.598 0.082 25642 7139 1 15 . 1 1 135 135 LEU N N 135 127.740 127.740 129.536 -1.796 25642 7140 1 15 . 1 1 135 135 LEU C C 135 174.990 174.990 175.730 -0.740 25642 7141 1 15 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.928 -0.708 25642 7142 1 15 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.073 3.107 25642 7143 1 15 . 1 1 135 135 LEU H H 135 8.560 8.560 9.072 -0.512 25642 7144 1 15 . 1 1 136 136 LYS N N 136 118.190 118.190 123.020 -4.830 25642 7145 1 15 . 1 1 136 136 LYS C C 136 178.030 178.030 176.163 1.867 25642 7146 1 15 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.122 -3.062 25642 7147 1 15 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.815 -1.805 25642 7148 1 15 . 1 1 136 136 LYS H H 136 8.180 8.180 8.358 -0.178 25642 7149 1 15 . 1 1 137 137 PHE N N 137 121.570 121.570 124.425 -2.855 25642 7150 1 15 . 1 1 137 137 PHE C C 137 176.370 176.370 174.984 1.386 25642 7151 1 15 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.145 0.795 25642 7152 1 15 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.779 -0.049 25642 7153 1 15 . 1 1 137 137 PHE H H 137 7.800 7.800 8.341 -0.541 25642 7154 1 15 . 1 1 138 138 GLN N N 138 123.070 123.070 124.404 -1.334 25642 7155 1 15 . 1 1 138 138 GLN H H 138 8.560 8.560 8.053 0.507 25642 7156 1 16 . 1 1 38 38 VAL C C 38 175.900 175.900 173.201 2.699 25642 7157 1 16 . 1 1 39 39 ALA N N 39 130.020 130.020 126.600 3.420 25642 7158 1 16 . 1 1 39 39 ALA C C 39 177.440 177.440 176.201 1.239 25642 7159 1 16 . 1 1 39 39 ALA CA C 39 52.380 52.380 50.896 1.484 25642 7160 1 16 . 1 1 39 39 ALA CB C 39 19.820 19.820 21.024 -1.204 25642 7161 1 16 . 1 1 39 39 ALA H H 39 8.200 8.200 8.270 -0.070 25642 7162 1 16 . 1 1 40 40 SER N N 40 115.080 115.080 116.662 -1.582 25642 7163 1 16 . 1 1 40 40 SER C C 40 173.460 173.460 172.582 0.878 25642 7164 1 16 . 1 1 40 40 SER CA C 40 60.040 60.040 57.609 2.430 25642 7165 1 16 . 1 1 40 40 SER CB C 40 66.420 66.420 65.719 0.701 25642 7166 1 16 . 1 1 40 40 SER H H 40 7.970 7.970 8.665 -0.695 25642 7167 1 16 . 1 1 41 41 LEU N N 41 127.860 127.860 119.282 8.578 25642 7168 1 16 . 1 1 41 41 LEU C C 41 174.130 174.130 175.854 -1.724 25642 7169 1 16 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.789 0.870 25642 7170 1 16 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.109 2.191 25642 7171 1 16 . 1 1 41 41 LEU H H 41 9.490 9.490 8.452 1.038 25642 7172 1 16 . 1 1 42 42 LEU N N 42 126.730 126.730 124.674 2.056 25642 7173 1 16 . 1 1 42 42 LEU C C 42 175.120 175.120 176.813 -1.693 25642 7174 1 16 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.547 -0.838 25642 7175 1 16 . 1 1 42 42 LEU CB C 42 41.460 41.460 42.918 -1.458 25642 7176 1 16 . 1 1 42 42 LEU H H 42 8.640 8.640 9.080 -0.440 25642 7177 1 16 . 1 1 43 43 SER N N 43 123.530 123.530 121.611 1.919 25642 7178 1 16 . 1 1 43 43 SER C C 43 172.810 172.810 175.356 -2.546 25642 7179 1 16 . 1 1 43 43 SER CA C 43 58.990 58.990 58.167 0.823 25642 7180 1 16 . 1 1 43 43 SER CB C 43 64.200 64.200 64.315 -0.115 25642 7181 1 16 . 1 1 43 43 SER H H 43 9.060 9.060 8.712 0.348 25642 7182 1 16 . 1 1 44 44 ALA N N 44 119.250 119.250 119.271 -0.021 25642 7183 1 16 . 1 1 44 44 ALA C C 44 177.720 177.720 178.014 -0.294 25642 7184 1 16 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.427 0.573 25642 7185 1 16 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.370 -0.640 25642 7186 1 16 . 1 1 44 44 ALA H H 44 8.490 8.490 8.429 0.061 25642 7187 1 16 . 1 1 45 45 ASP N N 45 114.450 114.450 118.084 -3.634 25642 7188 1 16 . 1 1 45 45 ASP C C 45 175.800 175.800 175.009 0.791 25642 7189 1 16 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.723 -0.743 25642 7190 1 16 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.913 1.767 25642 7191 1 16 . 1 1 45 45 ASP H H 45 8.080 8.080 7.897 0.183 25642 7192 1 16 . 1 1 46 46 LEU N N 46 122.200 122.200 120.435 1.765 25642 7193 1 16 . 1 1 46 46 LEU C C 46 176.290 176.290 175.558 0.732 25642 7194 1 16 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.212 0.408 25642 7195 1 16 . 1 1 46 46 LEU CB C 46 45.960 45.960 44.219 1.741 25642 7196 1 16 . 1 1 46 46 LEU H H 46 7.860 7.860 7.310 0.550 25642 7197 1 16 . 1 1 47 47 THR N N 47 119.850 119.850 117.176 2.674 25642 7198 1 16 . 1 1 47 47 THR C C 47 174.140 174.140 174.264 -0.124 25642 7199 1 16 . 1 1 47 47 THR CA C 47 61.650 61.650 60.255 1.395 25642 7200 1 16 . 1 1 47 47 THR CB C 47 71.210 71.210 70.507 0.703 25642 7201 1 16 . 1 1 47 47 THR H H 47 9.000 9.000 8.353 0.647 25642 7202 1 16 . 1 1 48 48 ILE N N 48 128.090 128.090 128.938 -0.848 25642 7203 1 16 . 1 1 48 48 ILE C C 48 174.810 174.810 174.993 -0.183 25642 7204 1 16 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.596 -1.446 25642 7205 1 16 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.999 1.111 25642 7206 1 16 . 1 1 48 48 ILE H H 48 9.330 9.330 8.245 1.085 25642 7207 1 16 . 1 1 49 49 GLU N N 49 129.080 129.080 125.237 3.843 25642 7208 1 16 . 1 1 49 49 GLU C C 49 175.160 175.160 177.216 -2.056 25642 7209 1 16 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.493 -0.993 25642 7210 1 16 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.843 -2.482 25642 7211 1 16 . 1 1 49 49 GLU H H 49 8.830 8.830 8.570 0.260 25642 7212 1 16 . 1 1 50 50 GLY N N 50 114.250 114.250 114.890 -0.640 25642 7213 1 16 . 1 1 50 50 GLY C C 50 170.510 170.510 173.726 -3.216 25642 7214 1 16 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.245 -0.185 25642 7215 1 16 . 1 1 50 50 GLY H H 50 8.320 8.320 8.813 -0.493 25642 7216 1 16 . 1 1 51 51 GLY N N 51 102.740 102.740 108.457 -5.717 25642 7217 1 16 . 1 1 51 51 GLY C C 51 174.230 174.230 172.867 1.363 25642 7218 1 16 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.071 -0.191 25642 7219 1 16 . 1 1 51 51 GLY H H 51 8.000 8.000 7.676 0.324 25642 7220 1 16 . 1 1 52 52 VAL N N 52 122.770 122.770 121.258 1.512 25642 7221 1 16 . 1 1 52 52 VAL C C 52 175.290 175.290 174.504 0.786 25642 7222 1 16 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.897 1.273 25642 7223 1 16 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.814 -0.864 25642 7224 1 16 . 1 1 52 52 VAL H H 52 8.550 8.550 7.919 0.631 25642 7225 1 16 . 1 1 53 53 THR N N 53 121.860 121.860 117.537 4.323 25642 7226 1 16 . 1 1 53 53 THR C C 53 173.790 173.790 174.584 -0.794 25642 7227 1 16 . 1 1 53 53 THR CA C 53 60.580 60.580 60.406 0.174 25642 7228 1 16 . 1 1 53 53 THR CB C 53 72.310 72.310 69.504 2.806 25642 7229 1 16 . 1 1 53 53 THR H H 53 9.150 9.150 8.371 0.779 25642 7230 1 16 . 1 1 54 54 GLY N N 54 112.960 112.960 115.136 -2.176 25642 7231 1 16 . 1 1 54 54 GLY C C 54 172.530 172.530 172.960 -0.430 25642 7232 1 16 . 1 1 54 54 GLY CA C 54 45.870 45.870 43.917 1.953 25642 7233 1 16 . 1 1 54 54 GLY H H 54 9.080 9.080 8.853 0.227 25642 7234 1 16 . 1 1 55 55 GLU N N 55 118.200 118.200 117.750 0.450 25642 7235 1 16 . 1 1 55 55 GLU C C 55 177.350 177.350 175.651 1.699 25642 7236 1 16 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.239 -0.139 25642 7237 1 16 . 1 1 55 55 GLU CB C 55 31.140 31.140 32.264 -1.124 25642 7238 1 16 . 1 1 55 55 GLU H H 55 8.790 8.790 8.461 0.329 25642 7239 1 16 . 1 1 56 56 GLY N N 56 109.740 109.740 112.812 -3.072 25642 7240 1 16 . 1 1 56 56 GLY C C 56 173.400 173.400 173.658 -0.258 25642 7241 1 16 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.948 -0.258 25642 7242 1 16 . 1 1 56 56 GLY H H 56 8.580 8.580 8.402 0.178 25642 7243 1 16 . 1 1 57 57 GLU N N 57 122.180 122.180 122.789 -0.609 25642 7244 1 16 . 1 1 57 57 GLU C C 57 175.970 175.970 174.829 1.141 25642 7245 1 16 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.956 -0.857 25642 7246 1 16 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.918 0.852 25642 7247 1 16 . 1 1 57 57 GLU H H 57 8.810 8.810 8.116 0.694 25642 7248 1 16 . 1 1 58 58 LEU N N 58 126.040 126.040 128.810 -2.770 25642 7249 1 16 . 1 1 58 58 LEU C C 58 173.100 173.100 174.213 -1.113 25642 7250 1 16 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.804 -0.124 25642 7251 1 16 . 1 1 58 58 LEU CB C 58 46.440 46.440 45.023 1.417 25642 7252 1 16 . 1 1 58 58 LEU H H 58 8.720 8.720 8.485 0.235 25642 7253 1 16 . 1 1 59 59 GLN N N 59 127.940 127.940 128.031 -0.091 25642 7254 1 16 . 1 1 59 59 GLN C C 59 174.540 174.540 174.022 0.518 25642 7255 1 16 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.479 -0.639 25642 7256 1 16 . 1 1 59 59 GLN CB C 59 29.790 29.790 30.497 -0.707 25642 7257 1 16 . 1 1 59 59 GLN H H 59 8.400 8.400 8.808 -0.408 25642 7258 1 16 . 1 1 60 60 ILE N N 60 124.610 124.610 127.273 -2.663 25642 7259 1 16 . 1 1 60 60 ILE C C 60 174.340 174.340 173.135 1.205 25642 7260 1 16 . 1 1 60 60 ILE CA C 60 61.330 61.330 58.997 2.333 25642 7261 1 16 . 1 1 60 60 ILE CB C 60 40.750 40.750 42.029 -1.279 25642 7262 1 16 . 1 1 60 60 ILE H H 60 9.100 9.100 8.511 0.589 25642 7263 1 16 . 1 1 61 61 ASP N N 61 127.350 127.350 126.036 1.314 25642 7264 1 16 . 1 1 61 61 ASP C C 61 176.210 176.210 175.023 1.187 25642 7265 1 16 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.816 1.083 25642 7266 1 16 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.917 1.563 25642 7267 1 16 . 1 1 61 61 ASP H H 61 9.070 9.070 8.306 0.764 25642 7268 1 16 . 1 1 62 62 GLY N N 62 110.340 110.340 107.378 2.962 25642 7269 1 16 . 1 1 62 62 GLY C C 62 170.870 170.870 172.600 -1.730 25642 7270 1 16 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.070 1.420 25642 7271 1 16 . 1 1 62 62 GLY H H 62 6.590 6.590 7.587 -0.997 25642 7272 1 16 . 1 1 63 63 VAL N N 63 122.570 122.570 115.555 7.015 25642 7273 1 16 . 1 1 63 63 VAL C C 63 176.030 176.030 174.647 1.383 25642 7274 1 16 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.173 0.837 25642 7275 1 16 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.087 1.763 25642 7276 1 16 . 1 1 63 63 VAL H H 63 8.070 8.070 7.748 0.322 25642 7277 1 16 . 1 1 64 64 VAL N N 64 125.470 125.470 128.834 -3.364 25642 7278 1 16 . 1 1 64 64 VAL C C 64 174.410 174.410 174.421 -0.011 25642 7279 1 16 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.732 -0.512 25642 7280 1 16 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.884 2.806 25642 7281 1 16 . 1 1 64 64 VAL H H 64 9.010 9.010 8.172 0.838 25642 7282 1 16 . 1 1 65 65 LYS N N 65 129.120 129.120 128.528 0.592 25642 7283 1 16 . 1 1 65 65 LYS C C 65 175.120 175.120 175.616 -0.496 25642 7284 1 16 . 1 1 65 65 LYS CA C 65 54.310 54.310 55.031 -0.721 25642 7285 1 16 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.477 -2.037 25642 7286 1 16 . 1 1 65 65 LYS H H 65 9.150 9.150 8.031 1.119 25642 7287 1 16 . 1 1 66 66 GLY N N 66 115.020 115.020 111.428 3.592 25642 7288 1 16 . 1 1 66 66 GLY C C 66 170.210 170.210 172.104 -1.894 25642 7289 1 16 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.048 -0.569 25642 7290 1 16 . 1 1 66 66 GLY H H 66 8.300 8.300 8.100 0.200 25642 7291 1 16 . 1 1 67 67 ASP N N 67 115.420 115.420 122.958 -7.538 25642 7292 1 16 . 1 1 67 67 ASP C C 67 176.920 176.920 175.627 1.293 25642 7293 1 16 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.735 0.595 25642 7294 1 16 . 1 1 67 67 ASP CB C 67 41.950 41.950 41.550 0.401 25642 7295 1 16 . 1 1 67 67 ASP H H 67 7.690 7.690 8.064 -0.374 25642 7296 1 16 . 1 1 68 68 VAL N N 68 122.440 122.440 125.170 -2.730 25642 7297 1 16 . 1 1 68 68 VAL C C 68 174.450 174.450 173.611 0.839 25642 7298 1 16 . 1 1 68 68 VAL CA C 68 60.970 60.970 59.425 1.545 25642 7299 1 16 . 1 1 68 68 VAL CB C 68 35.240 35.240 34.796 0.444 25642 7300 1 16 . 1 1 68 68 VAL H H 68 8.930 8.930 7.935 0.995 25642 7301 1 16 . 1 1 69 69 ARG N N 69 130.610 130.610 127.317 3.293 25642 7302 1 16 . 1 1 69 69 ARG C C 69 175.150 175.150 174.114 1.036 25642 7303 1 16 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.342 0.478 25642 7304 1 16 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.979 -1.979 25642 7305 1 16 . 1 1 69 69 ARG H H 69 9.110 9.110 8.443 0.667 25642 7306 1 16 . 1 1 70 70 VAL N N 70 114.530 114.530 122.403 -7.873 25642 7307 1 16 . 1 1 70 70 VAL C C 70 175.440 175.440 173.856 1.584 25642 7308 1 16 . 1 1 70 70 VAL CA C 70 58.400 58.400 61.162 -2.762 25642 7309 1 16 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.848 -0.478 25642 7310 1 16 . 1 1 70 70 VAL H H 70 8.290 8.290 7.762 0.528 25642 7311 1 16 . 1 1 71 71 GLY N N 71 108.150 108.150 108.886 -0.736 25642 7312 1 16 . 1 1 71 71 GLY C C 71 174.710 174.710 173.794 0.916 25642 7313 1 16 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.214 1.687 25642 7314 1 16 . 1 1 71 71 GLY H H 71 8.110 8.110 8.466 -0.356 25642 7315 1 16 . 1 1 72 72 ARG N N 72 120.660 120.660 121.054 -0.394 25642 7316 1 16 . 1 1 72 72 ARG C C 72 173.620 173.620 174.251 -0.631 25642 7317 1 16 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.900 0.420 25642 7318 1 16 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.301 1.479 25642 7319 1 16 . 1 1 72 72 ARG H H 72 7.690 7.690 7.852 -0.162 25642 7320 1 16 . 1 1 73 73 LEU N N 73 125.710 125.710 128.188 -2.478 25642 7321 1 16 . 1 1 73 73 LEU C C 73 175.230 175.230 174.916 0.314 25642 7322 1 16 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.435 -0.885 25642 7323 1 16 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.705 0.825 25642 7324 1 16 . 1 1 73 73 LEU H H 73 8.570 8.570 8.570 -0.000 25642 7325 1 16 . 1 1 74 74 THR N N 74 123.150 123.150 120.648 2.502 25642 7326 1 16 . 1 1 74 74 THR C C 74 173.670 173.670 173.897 -0.227 25642 7327 1 16 . 1 1 74 74 THR CA C 74 61.480 61.480 60.231 1.249 25642 7328 1 16 . 1 1 74 74 THR CB C 74 70.710 70.710 69.994 0.716 25642 7329 1 16 . 1 1 74 74 THR H H 74 8.860 8.860 8.628 0.232 25642 7330 1 16 . 1 1 75 75 VAL N N 75 127.890 127.890 127.145 0.745 25642 7331 1 16 . 1 1 75 75 VAL C C 75 176.800 176.800 176.827 -0.027 25642 7332 1 16 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.808 -1.678 25642 7333 1 16 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.478 2.362 25642 7334 1 16 . 1 1 75 75 VAL H H 75 8.910 8.910 8.370 0.540 25642 7335 1 16 . 1 1 76 76 GLY N N 76 116.590 116.590 115.803 0.787 25642 7336 1 16 . 1 1 76 76 GLY C C 76 174.060 174.060 174.409 -0.349 25642 7337 1 16 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.433 -0.203 25642 7338 1 16 . 1 1 76 76 GLY H H 76 8.980 8.980 8.963 0.017 25642 7339 1 16 . 1 1 77 77 GLU N N 77 121.140 121.140 117.224 3.916 25642 7340 1 16 . 1 1 77 77 GLU C C 77 178.620 178.620 178.558 0.062 25642 7341 1 16 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.001 2.499 25642 7342 1 16 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.788 0.332 25642 7343 1 16 . 1 1 77 77 GLU H H 77 9.260 9.260 8.438 0.822 25642 7344 1 16 . 1 1 78 78 THR N N 78 105.330 105.330 114.584 -9.254 25642 7345 1 16 . 1 1 78 78 THR C C 78 174.990 174.990 175.003 -0.013 25642 7346 1 16 . 1 1 78 78 THR CA C 78 62.040 62.040 63.915 -1.875 25642 7347 1 16 . 1 1 78 78 THR CB C 78 69.880 69.880 68.519 1.361 25642 7348 1 16 . 1 1 78 78 THR H H 78 8.010 8.010 7.929 0.081 25642 7349 1 16 . 1 1 79 79 GLY N N 79 111.420 111.420 108.875 2.545 25642 7350 1 16 . 1 1 79 79 GLY C C 79 174.270 174.270 174.586 -0.316 25642 7351 1 16 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.079 -0.829 25642 7352 1 16 . 1 1 79 79 GLY H H 79 8.240 8.240 8.334 -0.094 25642 7353 1 16 . 1 1 80 80 HIS N N 80 123.970 123.970 118.570 5.400 25642 7354 1 16 . 1 1 80 80 HIS C C 80 173.800 173.800 174.136 -0.336 25642 7355 1 16 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.309 -0.450 25642 7356 1 16 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.029 4.041 25642 7357 1 16 . 1 1 80 80 HIS H H 80 8.860 8.860 7.651 1.209 25642 7358 1 16 . 1 1 81 81 VAL N N 81 125.720 125.720 126.031 -0.311 25642 7359 1 16 . 1 1 81 81 VAL C C 81 174.580 174.580 173.610 0.970 25642 7360 1 16 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.238 -1.578 25642 7361 1 16 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.500 0.360 25642 7362 1 16 . 1 1 81 81 VAL H H 81 8.900 8.900 8.206 0.694 25642 7363 1 16 . 1 1 82 82 GLU N N 82 129.500 129.500 127.068 2.432 25642 7364 1 16 . 1 1 82 82 GLU C C 82 175.200 175.200 175.791 -0.591 25642 7365 1 16 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.834 -0.934 25642 7366 1 16 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.494 -1.624 25642 7367 1 16 . 1 1 82 82 GLU H H 82 9.270 9.270 8.442 0.828 25642 7368 1 16 . 1 1 83 83 GLY N N 83 114.070 114.070 111.966 2.104 25642 7369 1 16 . 1 1 83 83 GLY C C 83 171.310 171.310 172.421 -1.111 25642 7370 1 16 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.342 -0.392 25642 7371 1 16 . 1 1 83 83 GLY H H 83 8.450 8.450 8.023 0.427 25642 7372 1 16 . 1 1 84 84 SER N N 84 113.810 113.810 117.532 -3.722 25642 7373 1 16 . 1 1 84 84 SER C C 84 173.140 173.140 173.345 -0.205 25642 7374 1 16 . 1 1 84 84 SER CA C 84 57.720 57.720 58.030 -0.310 25642 7375 1 16 . 1 1 84 84 SER CB C 84 64.950 64.950 64.845 0.105 25642 7376 1 16 . 1 1 84 84 SER H H 84 8.320 8.320 8.110 0.210 25642 7377 1 16 . 1 1 85 85 VAL N N 85 121.060 121.060 125.194 -4.134 25642 7378 1 16 . 1 1 85 85 VAL C C 85 174.960 174.960 172.878 2.082 25642 7379 1 16 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.147 0.273 25642 7380 1 16 . 1 1 85 85 VAL CB C 85 34.900 34.900 34.353 0.547 25642 7381 1 16 . 1 1 85 85 VAL H H 85 8.730 8.730 7.868 0.862 25642 7382 1 16 . 1 1 86 86 TYR N N 86 129.090 129.090 127.873 1.217 25642 7383 1 16 . 1 1 86 86 TYR C C 86 174.420 174.420 174.556 -0.136 25642 7384 1 16 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.786 0.674 25642 7385 1 16 . 1 1 86 86 TYR CB C 86 40.850 40.850 41.691 -0.841 25642 7386 1 16 . 1 1 86 86 TYR H H 86 9.580 9.580 8.558 1.022 25642 7387 1 16 . 1 1 87 87 ALA N N 87 122.670 122.670 124.742 -2.072 25642 7388 1 16 . 1 1 87 87 ALA C C 87 177.320 177.320 175.632 1.688 25642 7389 1 16 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.240 0.020 25642 7390 1 16 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.858 0.592 25642 7391 1 16 . 1 1 87 87 ALA H H 87 8.080 8.080 8.298 -0.218 25642 7392 1 16 . 1 1 88 88 GLU N N 88 120.180 120.180 118.678 1.502 25642 7393 1 16 . 1 1 88 88 GLU C C 88 177.310 177.310 176.135 1.175 25642 7394 1 16 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.258 1.932 25642 7395 1 16 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.871 -1.221 25642 7396 1 16 . 1 1 88 88 GLU H H 88 8.640 8.640 8.460 0.180 25642 7397 1 16 . 1 1 89 89 ALA N N 89 118.770 118.770 119.923 -1.153 25642 7398 1 16 . 1 1 89 89 ALA C C 89 175.890 175.890 175.152 0.738 25642 7399 1 16 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.815 0.695 25642 7400 1 16 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.626 -0.356 25642 7401 1 16 . 1 1 89 89 ALA H H 89 7.340 7.340 7.789 -0.449 25642 7402 1 16 . 1 1 90 90 VAL N N 90 119.720 119.720 122.445 -2.725 25642 7403 1 16 . 1 1 90 90 VAL C C 90 174.710 174.710 173.505 1.205 25642 7404 1 16 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.368 -0.848 25642 7405 1 16 . 1 1 90 90 VAL CB C 90 35.990 35.990 36.187 -0.197 25642 7406 1 16 . 1 1 90 90 VAL H H 90 8.490 8.490 8.075 0.415 25642 7407 1 16 . 1 1 91 91 GLU N N 91 128.200 128.200 128.057 0.143 25642 7408 1 16 . 1 1 91 91 GLU C C 91 175.470 175.470 175.276 0.194 25642 7409 1 16 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.499 0.291 25642 7410 1 16 . 1 1 91 91 GLU CB C 91 32.680 32.680 33.147 -0.467 25642 7411 1 16 . 1 1 91 91 GLU H H 91 9.070 9.070 9.260 -0.190 25642 7412 1 16 . 1 1 92 92 VAL N N 92 122.080 122.080 123.961 -1.881 25642 7413 1 16 . 1 1 92 92 VAL C C 92 174.490 174.490 175.132 -0.642 25642 7414 1 16 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.239 1.421 25642 7415 1 16 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.778 0.312 25642 7416 1 16 . 1 1 92 92 VAL H H 92 9.450 9.450 8.466 0.984 25642 7417 1 16 . 1 1 93 93 ARG N N 93 123.900 123.900 124.359 -0.459 25642 7418 1 16 . 1 1 93 93 ARG C C 93 176.280 176.280 175.084 1.196 25642 7419 1 16 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.148 1.142 25642 7420 1 16 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.860 -0.970 25642 7421 1 16 . 1 1 93 93 ARG H H 93 9.200 9.200 8.260 0.940 25642 7422 1 16 . 1 1 94 94 GLY N N 94 111.100 111.100 105.022 6.078 25642 7423 1 16 . 1 1 94 94 GLY C C 94 170.710 170.710 172.288 -1.578 25642 7424 1 16 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.788 1.002 25642 7425 1 16 . 1 1 94 94 GLY H H 94 6.250 6.250 7.653 -1.403 25642 7426 1 16 . 1 1 95 95 ARG N N 95 126.190 126.190 119.279 6.911 25642 7427 1 16 . 1 1 95 95 ARG C C 95 175.570 175.570 174.507 1.063 25642 7428 1 16 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.849 -1.179 25642 7429 1 16 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.631 1.289 25642 7430 1 16 . 1 1 95 95 ARG H H 95 8.140 8.140 7.803 0.337 25642 7431 1 16 . 1 1 96 96 VAL N N 96 124.800 124.800 123.734 1.066 25642 7432 1 16 . 1 1 96 96 VAL C C 96 174.070 174.070 173.343 0.727 25642 7433 1 16 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.497 0.663 25642 7434 1 16 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.567 0.293 25642 7435 1 16 . 1 1 96 96 VAL H H 96 9.430 9.430 8.621 0.809 25642 7436 1 16 . 1 1 97 97 VAL N N 97 128.010 128.010 124.593 3.417 25642 7437 1 16 . 1 1 97 97 VAL C C 97 176.430 176.430 174.509 1.921 25642 7438 1 16 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.196 1.884 25642 7439 1 16 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.498 0.132 25642 7440 1 16 . 1 1 97 97 VAL H H 97 9.260 9.260 8.793 0.467 25642 7441 1 16 . 1 1 98 98 GLY N N 98 116.340 116.340 114.640 1.700 25642 7442 1 16 . 1 1 98 98 GLY C C 98 171.770 171.770 171.955 -0.185 25642 7443 1 16 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.386 -0.496 25642 7444 1 16 . 1 1 98 98 GLY H H 98 8.600 8.600 8.922 -0.322 25642 7445 1 16 . 1 1 99 99 ALA N N 99 124.110 124.110 123.637 0.473 25642 7446 1 16 . 1 1 99 99 ALA C C 99 176.060 176.060 174.725 1.335 25642 7447 1 16 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.992 -0.302 25642 7448 1 16 . 1 1 99 99 ALA CB C 99 21.700 21.700 21.883 -0.183 25642 7449 1 16 . 1 1 99 99 ALA H H 99 8.110 8.110 7.670 0.440 25642 7450 1 16 . 1 1 100 100 ILE N N 100 119.340 119.340 119.622 -0.282 25642 7451 1 16 . 1 1 100 100 ILE C C 100 174.770 174.770 174.012 0.758 25642 7452 1 16 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.449 1.171 25642 7453 1 16 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.914 0.406 25642 7454 1 16 . 1 1 100 100 ILE H H 100 8.910 8.910 8.008 0.902 25642 7455 1 16 . 1 1 101 101 THR N N 101 127.010 127.010 122.397 4.613 25642 7456 1 16 . 1 1 101 101 THR C C 101 173.980 173.980 173.064 0.916 25642 7457 1 16 . 1 1 101 101 THR CA C 101 61.620 61.620 61.565 0.055 25642 7458 1 16 . 1 1 101 101 THR CB C 101 69.700 69.700 70.122 -0.422 25642 7459 1 16 . 1 1 101 101 THR H H 101 8.950 8.950 8.399 0.551 25642 7460 1 16 . 1 1 102 102 SER N N 102 119.870 119.870 120.585 -0.715 25642 7461 1 16 . 1 1 102 102 SER C C 102 174.000 174.000 173.952 0.048 25642 7462 1 16 . 1 1 102 102 SER CA C 102 56.190 56.190 56.857 -0.667 25642 7463 1 16 . 1 1 102 102 SER CB C 102 64.710 64.710 65.384 -0.674 25642 7464 1 16 . 1 1 102 102 SER H H 102 8.800 8.800 8.263 0.537 25642 7465 1 16 . 1 1 103 103 LYS N N 103 124.650 124.650 122.792 1.858 25642 7466 1 16 . 1 1 103 103 LYS C C 103 177.200 177.200 176.165 1.035 25642 7467 1 16 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.851 3.449 25642 7468 1 16 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.214 -0.704 25642 7469 1 16 . 1 1 103 103 LYS H H 103 7.560 7.560 8.758 -1.198 25642 7470 1 16 . 1 1 104 104 GLN N N 104 115.370 115.370 117.914 -2.544 25642 7471 1 16 . 1 1 104 104 GLN C C 104 174.650 174.650 173.787 0.863 25642 7472 1 16 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.631 0.229 25642 7473 1 16 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.349 -0.469 25642 7474 1 16 . 1 1 104 104 GLN H H 104 7.650 7.650 7.817 -0.167 25642 7475 1 16 . 1 1 105 105 VAL N N 105 125.510 125.510 120.410 5.100 25642 7476 1 16 . 1 1 105 105 VAL C C 105 174.530 174.530 173.652 0.878 25642 7477 1 16 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.405 0.515 25642 7478 1 16 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.696 -0.696 25642 7479 1 16 . 1 1 105 105 VAL H H 105 8.670 8.670 8.143 0.527 25642 7480 1 16 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.979 1.071 25642 7481 1 16 . 1 1 106 106 ARG CB C 106 33.740 33.740 33.086 0.654 25642 7482 1 16 . 1 1 106 106 ARG H H 106 8.560 8.560 8.742 -0.182 25642 7483 1 16 . 1 1 107 107 LEU N N 107 125.820 125.820 126.314 -0.494 25642 7484 1 16 . 1 1 107 107 LEU C C 107 176.190 176.190 175.157 1.033 25642 7485 1 16 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.209 -0.639 25642 7486 1 16 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.698 0.432 25642 7487 1 16 . 1 1 107 107 LEU H H 107 8.730 8.730 8.069 0.661 25642 7488 1 16 . 1 1 108 108 TYR N N 108 120.870 120.870 124.194 -3.324 25642 7489 1 16 . 1 1 108 108 TYR C C 108 178.880 178.880 176.997 1.883 25642 7490 1 16 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.139 1.391 25642 7491 1 16 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.822 -1.042 25642 7492 1 16 . 1 1 108 108 TYR H H 108 8.280 8.280 7.700 0.580 25642 7493 1 16 . 1 1 109 109 GLY N N 109 112.380 112.380 109.884 2.496 25642 7494 1 16 . 1 1 109 109 GLY C C 109 172.330 172.330 175.293 -2.963 25642 7495 1 16 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.186 2.094 25642 7496 1 16 . 1 1 109 109 GLY H H 109 10.080 10.080 8.825 1.255 25642 7497 1 16 . 1 1 110 110 THR N N 110 103.280 103.280 113.513 -10.233 25642 7498 1 16 . 1 1 110 110 THR C C 110 175.370 175.370 174.769 0.601 25642 7499 1 16 . 1 1 110 110 THR CA C 110 61.220 61.220 62.540 -1.320 25642 7500 1 16 . 1 1 110 110 THR CB C 110 70.160 70.160 67.797 2.363 25642 7501 1 16 . 1 1 110 110 THR H H 110 6.910 6.910 8.522 -1.612 25642 7502 1 16 . 1 1 111 111 SER N N 111 118.040 118.040 117.325 0.715 25642 7503 1 16 . 1 1 111 111 SER C C 111 174.740 174.740 172.864 1.876 25642 7504 1 16 . 1 1 111 111 SER CA C 111 59.070 59.070 59.901 -0.831 25642 7505 1 16 . 1 1 111 111 SER CB C 111 67.870 67.870 64.560 3.310 25642 7506 1 16 . 1 1 111 111 SER H H 111 7.960 7.960 7.998 -0.038 25642 7507 1 16 . 1 1 112 112 TYR N N 112 124.220 124.220 120.449 3.771 25642 7508 1 16 . 1 1 112 112 TYR C C 112 174.090 174.090 173.690 0.400 25642 7509 1 16 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.451 -0.041 25642 7510 1 16 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.034 -1.344 25642 7511 1 16 . 1 1 112 112 TYR H H 112 8.720 8.720 8.020 0.700 25642 7512 1 16 . 1 1 113 113 VAL N N 113 129.090 129.090 125.453 3.637 25642 7513 1 16 . 1 1 113 113 VAL C C 113 173.870 173.870 174.418 -0.548 25642 7514 1 16 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.253 0.787 25642 7515 1 16 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.852 1.078 25642 7516 1 16 . 1 1 113 113 VAL H H 113 9.640 9.640 7.867 1.773 25642 7517 1 16 . 1 1 114 114 ASP N N 114 127.460 127.460 125.854 1.606 25642 7518 1 16 . 1 1 114 114 ASP C C 114 176.250 176.250 175.246 1.004 25642 7519 1 16 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.701 -1.231 25642 7520 1 16 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.941 -0.721 25642 7521 1 16 . 1 1 114 114 ASP H H 114 8.630 8.630 8.129 0.501 25642 7522 1 16 . 1 1 115 115 GLY N N 115 113.040 113.040 111.671 1.369 25642 7523 1 16 . 1 1 115 115 GLY C C 115 171.140 171.140 172.251 -1.111 25642 7524 1 16 . 1 1 115 115 GLY CA C 115 45.150 45.150 44.941 0.210 25642 7525 1 16 . 1 1 115 115 GLY H H 115 8.880 8.880 8.121 0.759 25642 7526 1 16 . 1 1 116 116 ASP N N 116 117.450 117.450 122.598 -5.148 25642 7527 1 16 . 1 1 116 116 ASP C C 116 176.850 176.850 175.552 1.298 25642 7528 1 16 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.328 0.032 25642 7529 1 16 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.880 0.490 25642 7530 1 16 . 1 1 116 116 ASP H H 116 7.390 7.390 7.987 -0.597 25642 7531 1 16 . 1 1 117 117 ILE N N 117 121.440 121.440 126.650 -5.210 25642 7532 1 16 . 1 1 117 117 ILE C C 117 176.780 176.780 174.809 1.971 25642 7533 1 16 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.930 0.790 25642 7534 1 16 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.305 -1.675 25642 7535 1 16 . 1 1 117 117 ILE H H 117 9.200 9.200 8.152 1.048 25642 7536 1 16 . 1 1 118 118 THR N N 118 131.550 131.550 124.538 7.012 25642 7537 1 16 . 1 1 118 118 THR C C 118 173.630 173.630 173.068 0.562 25642 7538 1 16 . 1 1 118 118 THR CA C 118 62.110 62.110 61.308 0.802 25642 7539 1 16 . 1 1 118 118 THR CB C 118 67.860 67.860 69.209 -1.349 25642 7540 1 16 . 1 1 118 118 THR H H 118 9.560 9.560 8.356 1.204 25642 7541 1 16 . 1 1 119 119 HIS N N 119 121.300 121.300 124.319 -3.019 25642 7542 1 16 . 1 1 119 119 HIS C C 119 174.780 174.780 174.198 0.582 25642 7543 1 16 . 1 1 119 119 HIS CA C 119 55.850 55.850 52.732 3.118 25642 7544 1 16 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.438 1.112 25642 7545 1 16 . 1 1 119 119 HIS H H 119 8.290 8.290 7.988 0.302 25642 7546 1 16 . 1 1 120 120 GLU N N 120 118.130 118.130 119.138 -1.008 25642 7547 1 16 . 1 1 120 120 GLU C C 120 177.120 177.120 176.458 0.662 25642 7548 1 16 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.546 1.234 25642 7549 1 16 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.883 -0.583 25642 7550 1 16 . 1 1 120 120 GLU H H 120 7.710 7.710 8.711 -1.001 25642 7551 1 16 . 1 1 121 121 GLN N N 121 117.670 117.670 117.284 0.386 25642 7552 1 16 . 1 1 121 121 GLN C C 121 172.760 172.760 174.091 -1.331 25642 7553 1 16 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.481 1.399 25642 7554 1 16 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.610 0.970 25642 7555 1 16 . 1 1 121 121 GLN H H 121 8.950 8.950 7.717 1.233 25642 7556 1 16 . 1 1 122 122 LEU N N 122 126.250 126.250 118.417 7.833 25642 7557 1 16 . 1 1 122 122 LEU C C 122 173.300 173.300 175.283 -1.983 25642 7558 1 16 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.135 0.686 25642 7559 1 16 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.570 -0.120 25642 7560 1 16 . 1 1 122 122 LEU H H 122 8.660 8.660 8.296 0.364 25642 7561 1 16 . 1 1 123 123 ALA N N 123 126.670 126.670 125.157 1.513 25642 7562 1 16 . 1 1 123 123 ALA C C 123 175.940 175.940 175.808 0.132 25642 7563 1 16 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.312 -1.742 25642 7564 1 16 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.863 0.487 25642 7565 1 16 . 1 1 123 123 ALA H H 123 8.090 8.090 8.890 -0.800 25642 7566 1 16 . 1 1 124 124 MET N N 124 119.800 119.800 121.194 -1.394 25642 7567 1 16 . 1 1 124 124 MET C C 124 174.960 174.960 175.523 -0.563 25642 7568 1 16 . 1 1 124 124 MET CA C 124 54.770 54.770 53.470 1.300 25642 7569 1 16 . 1 1 124 124 MET CB C 124 37.620 37.620 32.838 4.782 25642 7570 1 16 . 1 1 124 124 MET H H 124 8.810 8.810 8.464 0.346 25642 7571 1 16 . 1 1 125 125 GLU N N 125 125.500 125.500 123.568 1.932 25642 7572 1 16 . 1 1 125 125 GLU C C 125 175.410 175.410 175.925 -0.515 25642 7573 1 16 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.818 0.852 25642 7574 1 16 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.688 -0.178 25642 7575 1 16 . 1 1 125 125 GLU H H 125 8.760 8.760 8.080 0.680 25642 7576 1 16 . 1 1 126 126 THR N N 126 118.440 118.440 115.863 2.577 25642 7577 1 16 . 1 1 126 126 THR C C 126 174.300 174.300 175.352 -1.052 25642 7578 1 16 . 1 1 126 126 THR CA C 126 65.870 65.870 64.705 1.165 25642 7579 1 16 . 1 1 126 126 THR CB C 126 69.050 69.050 69.279 -0.229 25642 7580 1 16 . 1 1 127 127 GLY N N 127 116.970 116.970 111.972 4.998 25642 7581 1 16 . 1 1 127 127 GLY C C 127 175.320 175.320 173.081 2.239 25642 7582 1 16 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.161 -0.161 25642 7583 1 16 . 1 1 128 128 ALA N N 128 124.190 124.190 123.458 0.732 25642 7584 1 16 . 1 1 128 128 ALA C C 128 177.670 177.670 175.890 1.780 25642 7585 1 16 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.514 2.126 25642 7586 1 16 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.662 0.088 25642 7587 1 16 . 1 1 128 128 ALA H H 128 7.930 7.930 7.315 0.615 25642 7588 1 16 . 1 1 129 129 PHE N N 129 127.300 127.300 126.188 1.112 25642 7589 1 16 . 1 1 129 129 PHE C C 129 173.400 173.400 172.986 0.414 25642 7590 1 16 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.562 0.328 25642 7591 1 16 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.578 -1.058 25642 7592 1 16 . 1 1 129 129 PHE H H 129 8.550 8.550 8.067 0.483 25642 7593 1 16 . 1 1 130 130 PHE N N 130 131.220 131.220 120.282 10.938 25642 7594 1 16 . 1 1 130 130 PHE C C 130 173.550 173.550 173.947 -0.397 25642 7595 1 16 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.477 -2.107 25642 7596 1 16 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.815 -1.355 25642 7597 1 16 . 1 1 130 130 PHE H H 130 8.860 8.860 7.605 1.255 25642 7598 1 16 . 1 1 131 131 GLN N N 131 130.230 130.230 124.726 5.504 25642 7599 1 16 . 1 1 131 131 GLN C C 131 173.350 173.350 174.572 -1.222 25642 7600 1 16 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.752 -1.332 25642 7601 1 16 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.666 2.334 25642 7602 1 16 . 1 1 131 131 GLN H H 131 8.840 8.840 8.474 0.366 25642 7603 1 16 . 1 1 132 132 GLY N N 132 112.460 112.460 109.745 2.715 25642 7604 1 16 . 1 1 132 132 GLY C C 132 172.750 172.750 172.655 0.095 25642 7605 1 16 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.120 -0.650 25642 7606 1 16 . 1 1 133 133 ARG N N 133 119.950 119.950 120.809 -0.859 25642 7607 1 16 . 1 1 133 133 ARG C C 133 173.910 173.910 175.438 -1.528 25642 7608 1 16 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.767 0.103 25642 7609 1 16 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.794 1.396 25642 7610 1 16 . 1 1 133 133 ARG H H 133 8.470 8.470 8.248 0.222 25642 7611 1 16 . 1 1 134 134 SER N N 134 119.120 119.120 121.151 -2.031 25642 7612 1 16 . 1 1 134 134 SER C C 134 174.260 174.260 174.092 0.168 25642 7613 1 16 . 1 1 134 134 SER CA C 134 57.140 57.140 57.552 -0.412 25642 7614 1 16 . 1 1 134 134 SER CB C 134 63.450 63.450 64.332 -0.882 25642 7615 1 16 . 1 1 134 134 SER H H 134 8.680 8.680 8.621 0.059 25642 7616 1 16 . 1 1 135 135 LEU N N 135 127.740 127.740 128.949 -1.209 25642 7617 1 16 . 1 1 135 135 LEU C C 135 174.990 174.990 175.284 -0.294 25642 7618 1 16 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.871 -0.651 25642 7619 1 16 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.669 2.511 25642 7620 1 16 . 1 1 135 135 LEU H H 135 8.560 8.560 8.811 -0.251 25642 7621 1 16 . 1 1 136 136 LYS N N 136 118.190 118.190 125.759 -7.569 25642 7622 1 16 . 1 1 136 136 LYS C C 136 178.030 178.030 176.433 1.597 25642 7623 1 16 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.294 -3.234 25642 7624 1 16 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.205 -1.195 25642 7625 1 16 . 1 1 136 136 LYS H H 136 8.180 8.180 8.482 -0.302 25642 7626 1 16 . 1 1 137 137 PHE N N 137 121.570 121.570 129.016 -7.446 25642 7627 1 16 . 1 1 137 137 PHE C C 137 176.370 176.370 176.492 -0.122 25642 7628 1 16 . 1 1 137 137 PHE CA C 137 58.940 58.940 60.076 -1.136 25642 7629 1 16 . 1 1 137 137 PHE CB C 137 39.730 39.730 38.997 0.733 25642 7630 1 16 . 1 1 137 137 PHE H H 137 7.800 7.800 8.435 -0.635 25642 7631 1 16 . 1 1 138 138 GLN N N 138 123.070 123.070 122.836 0.234 25642 7632 1 16 . 1 1 138 138 GLN H H 138 8.560 8.560 8.360 0.200 25642 7633 1 17 . 1 1 38 38 VAL C C 38 175.900 175.900 173.403 2.497 25642 7634 1 17 . 1 1 39 39 ALA N N 39 130.020 130.020 121.232 8.788 25642 7635 1 17 . 1 1 39 39 ALA C C 39 177.440 177.440 176.426 1.014 25642 7636 1 17 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.736 0.644 25642 7637 1 17 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.869 -1.049 25642 7638 1 17 . 1 1 39 39 ALA H H 39 8.200 8.200 7.605 0.595 25642 7639 1 17 . 1 1 40 40 SER N N 40 115.080 115.080 119.704 -4.624 25642 7640 1 17 . 1 1 40 40 SER C C 40 173.460 173.460 173.094 0.366 25642 7641 1 17 . 1 1 40 40 SER CA C 40 60.040 60.040 56.844 3.196 25642 7642 1 17 . 1 1 40 40 SER CB C 40 66.420 66.420 65.293 1.127 25642 7643 1 17 . 1 1 40 40 SER H H 40 7.970 7.970 8.287 -0.317 25642 7644 1 17 . 1 1 41 41 LEU N N 41 127.860 127.860 119.177 8.683 25642 7645 1 17 . 1 1 41 41 LEU C C 41 174.130 174.130 176.016 -1.886 25642 7646 1 17 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.942 0.718 25642 7647 1 17 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.713 1.587 25642 7648 1 17 . 1 1 41 41 LEU H H 41 9.490 9.490 8.179 1.311 25642 7649 1 17 . 1 1 42 42 LEU N N 42 126.730 126.730 123.593 3.137 25642 7650 1 17 . 1 1 42 42 LEU C C 42 175.120 175.120 177.313 -2.193 25642 7651 1 17 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.624 -0.914 25642 7652 1 17 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.827 -2.367 25642 7653 1 17 . 1 1 42 42 LEU H H 42 8.640 8.640 8.069 0.571 25642 7654 1 17 . 1 1 43 43 SER N N 43 123.530 123.530 119.490 4.040 25642 7655 1 17 . 1 1 43 43 SER C C 43 172.810 172.810 174.561 -1.751 25642 7656 1 17 . 1 1 43 43 SER CA C 43 58.990 58.990 59.506 -0.516 25642 7657 1 17 . 1 1 43 43 SER CB C 43 64.200 64.200 64.011 0.189 25642 7658 1 17 . 1 1 43 43 SER H H 43 9.060 9.060 8.697 0.363 25642 7659 1 17 . 1 1 44 44 ALA N N 44 119.250 119.250 121.725 -2.475 25642 7660 1 17 . 1 1 44 44 ALA C C 44 177.720 177.720 179.196 -1.476 25642 7661 1 17 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.799 0.201 25642 7662 1 17 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.064 -0.334 25642 7663 1 17 . 1 1 44 44 ALA H H 44 8.490 8.490 8.343 0.147 25642 7664 1 17 . 1 1 45 45 ASP N N 45 114.450 114.450 118.812 -4.362 25642 7665 1 17 . 1 1 45 45 ASP C C 45 175.800 175.800 174.705 1.095 25642 7666 1 17 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.423 -0.443 25642 7667 1 17 . 1 1 45 45 ASP CB C 45 41.680 41.680 38.941 2.739 25642 7668 1 17 . 1 1 45 45 ASP H H 45 8.080 8.080 8.690 -0.610 25642 7669 1 17 . 1 1 46 46 LEU N N 46 122.200 122.200 122.531 -0.331 25642 7670 1 17 . 1 1 46 46 LEU C C 46 176.290 176.290 175.591 0.699 25642 7671 1 17 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.158 0.462 25642 7672 1 17 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.866 2.094 25642 7673 1 17 . 1 1 46 46 LEU H H 46 7.860 7.860 7.656 0.204 25642 7674 1 17 . 1 1 47 47 THR N N 47 119.850 119.850 116.051 3.799 25642 7675 1 17 . 1 1 47 47 THR C C 47 174.140 174.140 174.007 0.133 25642 7676 1 17 . 1 1 47 47 THR CA C 47 61.650 61.650 60.372 1.278 25642 7677 1 17 . 1 1 47 47 THR CB C 47 71.210 71.210 69.558 1.652 25642 7678 1 17 . 1 1 47 47 THR H H 47 9.000 9.000 8.373 0.627 25642 7679 1 17 . 1 1 48 48 ILE N N 48 128.090 128.090 126.102 1.988 25642 7680 1 17 . 1 1 48 48 ILE C C 48 174.810 174.810 175.590 -0.780 25642 7681 1 17 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.075 0.075 25642 7682 1 17 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.018 1.092 25642 7683 1 17 . 1 1 48 48 ILE H H 48 9.330 9.330 8.107 1.223 25642 7684 1 17 . 1 1 49 49 GLU N N 49 129.080 129.080 125.313 3.767 25642 7685 1 17 . 1 1 49 49 GLU C C 49 175.160 175.160 176.537 -1.377 25642 7686 1 17 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.044 -0.544 25642 7687 1 17 . 1 1 49 49 GLU CB C 49 30.360 30.360 29.802 0.558 25642 7688 1 17 . 1 1 49 49 GLU H H 49 8.830 8.830 8.683 0.147 25642 7689 1 17 . 1 1 50 50 GLY N N 50 114.250 114.250 110.295 3.955 25642 7690 1 17 . 1 1 50 50 GLY C C 50 170.510 170.510 174.881 -4.371 25642 7691 1 17 . 1 1 50 50 GLY CA C 50 45.060 45.060 46.088 -1.028 25642 7692 1 17 . 1 1 50 50 GLY H H 50 8.320 8.320 8.779 -0.459 25642 7693 1 17 . 1 1 51 51 GLY N N 51 102.740 102.740 111.828 -9.088 25642 7694 1 17 . 1 1 51 51 GLY C C 51 174.230 174.230 173.824 0.406 25642 7695 1 17 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.179 -0.299 25642 7696 1 17 . 1 1 51 51 GLY H H 51 8.000 8.000 8.436 -0.436 25642 7697 1 17 . 1 1 52 52 VAL N N 52 122.770 122.770 116.929 5.841 25642 7698 1 17 . 1 1 52 52 VAL C C 52 175.290 175.290 174.333 0.957 25642 7699 1 17 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.180 0.990 25642 7700 1 17 . 1 1 52 52 VAL CB C 52 34.950 34.950 33.450 1.500 25642 7701 1 17 . 1 1 52 52 VAL H H 52 8.550 8.550 7.397 1.153 25642 7702 1 17 . 1 1 53 53 THR N N 53 121.860 121.860 119.378 2.482 25642 7703 1 17 . 1 1 53 53 THR C C 53 173.790 173.790 173.975 -0.185 25642 7704 1 17 . 1 1 53 53 THR CA C 53 60.580 60.580 61.351 -0.771 25642 7705 1 17 . 1 1 53 53 THR CB C 53 72.310 72.310 70.907 1.403 25642 7706 1 17 . 1 1 53 53 THR H H 53 9.150 9.150 8.303 0.847 25642 7707 1 17 . 1 1 54 54 GLY N N 54 112.960 112.960 113.786 -0.826 25642 7708 1 17 . 1 1 54 54 GLY C C 54 172.530 172.530 173.702 -1.172 25642 7709 1 17 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.303 0.567 25642 7710 1 17 . 1 1 54 54 GLY H H 54 9.080 9.080 8.148 0.932 25642 7711 1 17 . 1 1 55 55 GLU N N 55 118.200 118.200 122.559 -4.359 25642 7712 1 17 . 1 1 55 55 GLU C C 55 177.350 177.350 176.809 0.541 25642 7713 1 17 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.508 -1.408 25642 7714 1 17 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.300 0.840 25642 7715 1 17 . 1 1 55 55 GLU H H 55 8.790 8.790 8.519 0.271 25642 7716 1 17 . 1 1 56 56 GLY N N 56 109.740 109.740 106.506 3.234 25642 7717 1 17 . 1 1 56 56 GLY C C 56 173.400 173.400 173.247 0.153 25642 7718 1 17 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.426 0.264 25642 7719 1 17 . 1 1 56 56 GLY H H 56 8.580 8.580 8.252 0.328 25642 7720 1 17 . 1 1 57 57 GLU N N 57 122.180 122.180 120.982 1.198 25642 7721 1 17 . 1 1 57 57 GLU C C 57 175.970 175.970 174.995 0.975 25642 7722 1 17 . 1 1 57 57 GLU CA C 57 55.100 55.100 56.063 -0.963 25642 7723 1 17 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.357 0.413 25642 7724 1 17 . 1 1 57 57 GLU H H 57 8.810 8.810 8.175 0.635 25642 7725 1 17 . 1 1 58 58 LEU N N 58 126.040 126.040 128.562 -2.522 25642 7726 1 17 . 1 1 58 58 LEU C C 58 173.100 173.100 173.963 -0.863 25642 7727 1 17 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.161 -0.481 25642 7728 1 17 . 1 1 58 58 LEU CB C 58 46.440 46.440 45.216 1.224 25642 7729 1 17 . 1 1 58 58 LEU H H 58 8.720 8.720 8.447 0.273 25642 7730 1 17 . 1 1 59 59 GLN N N 59 127.940 127.940 127.977 -0.037 25642 7731 1 17 . 1 1 59 59 GLN C C 59 174.540 174.540 174.381 0.159 25642 7732 1 17 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.245 -0.405 25642 7733 1 17 . 1 1 59 59 GLN CB C 59 29.790 29.790 31.638 -1.848 25642 7734 1 17 . 1 1 59 59 GLN H H 59 8.400 8.400 8.879 -0.479 25642 7735 1 17 . 1 1 60 60 ILE N N 60 124.610 124.610 126.039 -1.429 25642 7736 1 17 . 1 1 60 60 ILE C C 60 174.340 174.340 173.017 1.323 25642 7737 1 17 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.692 1.638 25642 7738 1 17 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.871 -1.121 25642 7739 1 17 . 1 1 60 60 ILE H H 60 9.100 9.100 8.425 0.675 25642 7740 1 17 . 1 1 61 61 ASP N N 61 127.350 127.350 128.875 -1.525 25642 7741 1 17 . 1 1 61 61 ASP C C 61 176.210 176.210 174.906 1.304 25642 7742 1 17 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.132 0.768 25642 7743 1 17 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.670 1.810 25642 7744 1 17 . 1 1 61 61 ASP H H 61 9.070 9.070 8.241 0.829 25642 7745 1 17 . 1 1 62 62 GLY N N 62 110.340 110.340 106.759 3.581 25642 7746 1 17 . 1 1 62 62 GLY C C 62 170.870 170.870 171.863 -0.993 25642 7747 1 17 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.384 1.106 25642 7748 1 17 . 1 1 62 62 GLY H H 62 6.590 6.590 7.586 -0.996 25642 7749 1 17 . 1 1 63 63 VAL N N 63 122.570 122.570 119.546 3.024 25642 7750 1 17 . 1 1 63 63 VAL C C 63 176.030 176.030 174.124 1.906 25642 7751 1 17 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.470 0.540 25642 7752 1 17 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.648 0.202 25642 7753 1 17 . 1 1 63 63 VAL H H 63 8.070 8.070 7.757 0.313 25642 7754 1 17 . 1 1 64 64 VAL N N 64 125.470 125.470 128.802 -3.332 25642 7755 1 17 . 1 1 64 64 VAL C C 64 174.410 174.410 173.518 0.892 25642 7756 1 17 . 1 1 64 64 VAL CA C 64 61.220 61.220 60.083 1.137 25642 7757 1 17 . 1 1 64 64 VAL CB C 64 35.690 35.690 35.258 0.432 25642 7758 1 17 . 1 1 64 64 VAL H H 64 9.010 9.010 8.010 1.000 25642 7759 1 17 . 1 1 65 65 LYS N N 65 129.120 129.120 127.416 1.704 25642 7760 1 17 . 1 1 65 65 LYS C C 65 175.120 175.120 175.445 -0.325 25642 7761 1 17 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.121 0.189 25642 7762 1 17 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.482 -3.042 25642 7763 1 17 . 1 1 65 65 LYS H H 65 9.150 9.150 8.102 1.048 25642 7764 1 17 . 1 1 66 66 GLY N N 66 115.020 115.020 110.833 4.187 25642 7765 1 17 . 1 1 66 66 GLY C C 66 170.210 170.210 172.067 -1.857 25642 7766 1 17 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.801 -0.321 25642 7767 1 17 . 1 1 66 66 GLY H H 66 8.300 8.300 8.381 -0.081 25642 7768 1 17 . 1 1 67 67 ASP N N 67 115.420 115.420 125.016 -9.596 25642 7769 1 17 . 1 1 67 67 ASP C C 67 176.920 176.920 174.922 1.998 25642 7770 1 17 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.789 0.541 25642 7771 1 17 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.061 -0.111 25642 7772 1 17 . 1 1 67 67 ASP H H 67 7.690 7.690 8.520 -0.830 25642 7773 1 17 . 1 1 68 68 VAL N N 68 122.440 122.440 124.239 -1.799 25642 7774 1 17 . 1 1 68 68 VAL C C 68 174.450 174.450 174.150 0.300 25642 7775 1 17 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.818 0.152 25642 7776 1 17 . 1 1 68 68 VAL CB C 68 35.240 35.240 34.241 0.999 25642 7777 1 17 . 1 1 68 68 VAL H H 68 8.930 8.930 8.142 0.788 25642 7778 1 17 . 1 1 69 69 ARG N N 69 130.610 130.610 128.291 2.319 25642 7779 1 17 . 1 1 69 69 ARG C C 69 175.150 175.150 174.100 1.050 25642 7780 1 17 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.500 0.320 25642 7781 1 17 . 1 1 69 69 ARG CB C 69 32.000 32.000 33.513 -1.513 25642 7782 1 17 . 1 1 69 69 ARG H H 69 9.110 9.110 8.510 0.600 25642 7783 1 17 . 1 1 70 70 VAL N N 70 114.530 114.530 125.362 -10.832 25642 7784 1 17 . 1 1 70 70 VAL C C 70 175.440 175.440 174.109 1.331 25642 7785 1 17 . 1 1 70 70 VAL CA C 70 58.400 58.400 59.960 -1.560 25642 7786 1 17 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.982 -0.612 25642 7787 1 17 . 1 1 70 70 VAL H H 70 8.290 8.290 7.947 0.343 25642 7788 1 17 . 1 1 71 71 GLY N N 71 108.150 108.150 109.551 -1.401 25642 7789 1 17 . 1 1 71 71 GLY C C 71 174.710 174.710 173.202 1.508 25642 7790 1 17 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.588 1.312 25642 7791 1 17 . 1 1 71 71 GLY H H 71 8.110 8.110 8.362 -0.252 25642 7792 1 17 . 1 1 72 72 ARG N N 72 120.660 120.660 121.742 -1.082 25642 7793 1 17 . 1 1 72 72 ARG C C 72 173.620 173.620 173.967 -0.347 25642 7794 1 17 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.774 0.546 25642 7795 1 17 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.702 1.078 25642 7796 1 17 . 1 1 72 72 ARG H H 72 7.690 7.690 7.738 -0.048 25642 7797 1 17 . 1 1 73 73 LEU N N 73 125.710 125.710 129.168 -3.458 25642 7798 1 17 . 1 1 73 73 LEU C C 73 175.230 175.230 174.746 0.484 25642 7799 1 17 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.907 -1.357 25642 7800 1 17 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.744 0.786 25642 7801 1 17 . 1 1 73 73 LEU H H 73 8.570 8.570 8.749 -0.179 25642 7802 1 17 . 1 1 74 74 THR N N 74 123.150 123.150 123.826 -0.676 25642 7803 1 17 . 1 1 74 74 THR C C 74 173.670 173.670 173.797 -0.127 25642 7804 1 17 . 1 1 74 74 THR CA C 74 61.480 61.480 61.388 0.092 25642 7805 1 17 . 1 1 74 74 THR CB C 74 70.710 70.710 69.853 0.857 25642 7806 1 17 . 1 1 74 74 THR H H 74 8.860 8.860 8.393 0.467 25642 7807 1 17 . 1 1 75 75 VAL N N 75 127.890 127.890 128.440 -0.550 25642 7808 1 17 . 1 1 75 75 VAL C C 75 176.800 176.800 176.620 0.180 25642 7809 1 17 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.274 -1.144 25642 7810 1 17 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.214 1.626 25642 7811 1 17 . 1 1 75 75 VAL H H 75 8.910 8.910 8.020 0.890 25642 7812 1 17 . 1 1 76 76 GLY N N 76 116.590 116.590 114.917 1.673 25642 7813 1 17 . 1 1 76 76 GLY C C 76 174.060 174.060 174.080 -0.020 25642 7814 1 17 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.572 -0.342 25642 7815 1 17 . 1 1 76 76 GLY H H 76 8.980 8.980 8.694 0.286 25642 7816 1 17 . 1 1 77 77 GLU N N 77 121.140 121.140 118.970 2.170 25642 7817 1 17 . 1 1 77 77 GLU C C 77 178.620 178.620 178.360 0.260 25642 7818 1 17 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.156 2.344 25642 7819 1 17 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.968 0.152 25642 7820 1 17 . 1 1 77 77 GLU H H 77 9.260 9.260 8.301 0.959 25642 7821 1 17 . 1 1 78 78 THR N N 78 105.330 105.330 113.530 -8.200 25642 7822 1 17 . 1 1 78 78 THR C C 78 174.990 174.990 175.641 -0.651 25642 7823 1 17 . 1 1 78 78 THR CA C 78 62.040 62.040 64.624 -2.584 25642 7824 1 17 . 1 1 78 78 THR CB C 78 69.880 69.880 68.548 1.332 25642 7825 1 17 . 1 1 78 78 THR H H 78 8.010 8.010 8.056 -0.046 25642 7826 1 17 . 1 1 79 79 GLY N N 79 111.420 111.420 109.484 1.936 25642 7827 1 17 . 1 1 79 79 GLY C C 79 174.270 174.270 174.308 -0.038 25642 7828 1 17 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.105 -0.855 25642 7829 1 17 . 1 1 79 79 GLY H H 79 8.240 8.240 8.465 -0.225 25642 7830 1 17 . 1 1 80 80 HIS N N 80 123.970 123.970 118.424 5.546 25642 7831 1 17 . 1 1 80 80 HIS C C 80 173.800 173.800 174.120 -0.320 25642 7832 1 17 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.547 -0.687 25642 7833 1 17 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.234 3.836 25642 7834 1 17 . 1 1 80 80 HIS H H 80 8.860 8.860 7.717 1.143 25642 7835 1 17 . 1 1 81 81 VAL N N 81 125.720 125.720 126.164 -0.444 25642 7836 1 17 . 1 1 81 81 VAL C C 81 174.580 174.580 173.561 1.019 25642 7837 1 17 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.271 -1.611 25642 7838 1 17 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.930 -0.070 25642 7839 1 17 . 1 1 81 81 VAL H H 81 8.900 8.900 8.250 0.650 25642 7840 1 17 . 1 1 82 82 GLU N N 82 129.500 129.500 128.039 1.461 25642 7841 1 17 . 1 1 82 82 GLU C C 82 175.200 175.200 175.402 -0.202 25642 7842 1 17 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.798 -0.898 25642 7843 1 17 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.437 -1.567 25642 7844 1 17 . 1 1 82 82 GLU H H 82 9.270 9.270 8.119 1.151 25642 7845 1 17 . 1 1 83 83 GLY N N 83 114.070 114.070 112.531 1.539 25642 7846 1 17 . 1 1 83 83 GLY C C 83 171.310 171.310 172.446 -1.136 25642 7847 1 17 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.078 -0.128 25642 7848 1 17 . 1 1 83 83 GLY H H 83 8.450 8.450 7.922 0.528 25642 7849 1 17 . 1 1 84 84 SER N N 84 113.810 113.810 116.892 -3.082 25642 7850 1 17 . 1 1 84 84 SER C C 84 173.140 173.140 173.329 -0.189 25642 7851 1 17 . 1 1 84 84 SER CA C 84 57.720 57.720 57.928 -0.208 25642 7852 1 17 . 1 1 84 84 SER CB C 84 64.950 64.950 65.113 -0.163 25642 7853 1 17 . 1 1 84 84 SER H H 84 8.320 8.320 8.360 -0.040 25642 7854 1 17 . 1 1 85 85 VAL N N 85 121.060 121.060 124.064 -3.004 25642 7855 1 17 . 1 1 85 85 VAL C C 85 174.960 174.960 173.258 1.702 25642 7856 1 17 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.581 -0.161 25642 7857 1 17 . 1 1 85 85 VAL CB C 85 34.900 34.900 36.003 -1.103 25642 7858 1 17 . 1 1 85 85 VAL H H 85 8.730 8.730 7.945 0.785 25642 7859 1 17 . 1 1 86 86 TYR N N 86 129.090 129.090 126.237 2.853 25642 7860 1 17 . 1 1 86 86 TYR C C 86 174.420 174.420 174.137 0.283 25642 7861 1 17 . 1 1 86 86 TYR CA C 86 56.460 56.460 55.983 0.477 25642 7862 1 17 . 1 1 86 86 TYR CB C 86 40.850 40.850 42.190 -1.340 25642 7863 1 17 . 1 1 86 86 TYR H H 86 9.580 9.580 9.248 0.332 25642 7864 1 17 . 1 1 87 87 ALA N N 87 122.670 122.670 125.372 -2.702 25642 7865 1 17 . 1 1 87 87 ALA C C 87 177.320 177.320 176.627 0.693 25642 7866 1 17 . 1 1 87 87 ALA CA C 87 51.260 51.260 50.754 0.506 25642 7867 1 17 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.270 0.180 25642 7868 1 17 . 1 1 87 87 ALA H H 87 8.080 8.080 8.413 -0.333 25642 7869 1 17 . 1 1 88 88 GLU N N 88 120.180 120.180 121.959 -1.779 25642 7870 1 17 . 1 1 88 88 GLU C C 88 177.310 177.310 176.654 0.656 25642 7871 1 17 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.966 0.224 25642 7872 1 17 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.214 -0.564 25642 7873 1 17 . 1 1 88 88 GLU H H 88 8.640 8.640 8.602 0.038 25642 7874 1 17 . 1 1 89 89 ALA N N 89 118.770 118.770 118.608 0.162 25642 7875 1 17 . 1 1 89 89 ALA C C 89 175.890 175.890 175.250 0.640 25642 7876 1 17 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.495 1.015 25642 7877 1 17 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.954 -0.684 25642 7878 1 17 . 1 1 89 89 ALA H H 89 7.340 7.340 7.800 -0.460 25642 7879 1 17 . 1 1 90 90 VAL N N 90 119.720 119.720 121.560 -1.840 25642 7880 1 17 . 1 1 90 90 VAL C C 90 174.710 174.710 173.545 1.165 25642 7881 1 17 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.438 -0.917 25642 7882 1 17 . 1 1 90 90 VAL CB C 90 35.990 35.990 36.230 -0.240 25642 7883 1 17 . 1 1 90 90 VAL H H 90 8.490 8.490 8.120 0.370 25642 7884 1 17 . 1 1 91 91 GLU N N 91 128.200 128.200 128.946 -0.746 25642 7885 1 17 . 1 1 91 91 GLU C C 91 175.470 175.470 175.293 0.177 25642 7886 1 17 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.493 0.297 25642 7887 1 17 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.421 0.259 25642 7888 1 17 . 1 1 91 91 GLU H H 91 9.070 9.070 8.860 0.210 25642 7889 1 17 . 1 1 92 92 VAL N N 92 122.080 122.080 124.050 -1.970 25642 7890 1 17 . 1 1 92 92 VAL C C 92 174.490 174.490 175.756 -1.266 25642 7891 1 17 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.837 0.823 25642 7892 1 17 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.062 1.028 25642 7893 1 17 . 1 1 92 92 VAL H H 92 9.450 9.450 8.211 1.239 25642 7894 1 17 . 1 1 93 93 ARG N N 93 123.900 123.900 121.663 2.237 25642 7895 1 17 . 1 1 93 93 ARG C C 93 176.280 176.280 175.365 0.915 25642 7896 1 17 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.343 0.947 25642 7897 1 17 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.758 -0.868 25642 7898 1 17 . 1 1 93 93 ARG H H 93 9.200 9.200 8.226 0.974 25642 7899 1 17 . 1 1 94 94 GLY N N 94 111.100 111.100 106.552 4.548 25642 7900 1 17 . 1 1 94 94 GLY C C 94 170.710 170.710 172.358 -1.648 25642 7901 1 17 . 1 1 94 94 GLY CA C 94 45.790 45.790 44.943 0.847 25642 7902 1 17 . 1 1 94 94 GLY H H 94 6.250 6.250 7.921 -1.671 25642 7903 1 17 . 1 1 95 95 ARG N N 95 126.190 126.190 119.835 6.355 25642 7904 1 17 . 1 1 95 95 ARG C C 95 175.570 175.570 174.505 1.065 25642 7905 1 17 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.671 -1.001 25642 7906 1 17 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.863 1.057 25642 7907 1 17 . 1 1 95 95 ARG H H 95 8.140 8.140 7.824 0.316 25642 7908 1 17 . 1 1 96 96 VAL N N 96 124.800 124.800 124.235 0.565 25642 7909 1 17 . 1 1 96 96 VAL C C 96 174.070 174.070 173.376 0.694 25642 7910 1 17 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.857 1.303 25642 7911 1 17 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.183 0.677 25642 7912 1 17 . 1 1 96 96 VAL H H 96 9.430 9.430 8.476 0.954 25642 7913 1 17 . 1 1 97 97 VAL N N 97 128.010 128.010 124.533 3.477 25642 7914 1 17 . 1 1 97 97 VAL C C 97 176.430 176.430 174.232 2.198 25642 7915 1 17 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.719 1.361 25642 7916 1 17 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.867 -0.236 25642 7917 1 17 . 1 1 97 97 VAL H H 97 9.260 9.260 8.523 0.737 25642 7918 1 17 . 1 1 98 98 GLY N N 98 116.340 116.340 114.636 1.704 25642 7919 1 17 . 1 1 98 98 GLY C C 98 171.770 171.770 172.241 -0.471 25642 7920 1 17 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.169 -0.279 25642 7921 1 17 . 1 1 98 98 GLY H H 98 8.600 8.600 8.446 0.154 25642 7922 1 17 . 1 1 99 99 ALA N N 99 124.110 124.110 123.891 0.219 25642 7923 1 17 . 1 1 99 99 ALA C C 99 176.060 176.060 174.568 1.492 25642 7924 1 17 . 1 1 99 99 ALA CA C 99 51.690 51.690 52.178 -0.488 25642 7925 1 17 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.124 -0.424 25642 7926 1 17 . 1 1 99 99 ALA H H 99 8.110 8.110 7.792 0.318 25642 7927 1 17 . 1 1 100 100 ILE N N 100 119.340 119.340 122.689 -3.349 25642 7928 1 17 . 1 1 100 100 ILE C C 100 174.770 174.770 173.162 1.608 25642 7929 1 17 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.458 1.162 25642 7930 1 17 . 1 1 100 100 ILE CB C 100 42.320 42.320 42.328 -0.007 25642 7931 1 17 . 1 1 100 100 ILE H H 100 8.910 8.910 8.208 0.702 25642 7932 1 17 . 1 1 101 101 THR N N 101 127.010 127.010 124.099 2.911 25642 7933 1 17 . 1 1 101 101 THR C C 101 173.980 173.980 172.870 1.110 25642 7934 1 17 . 1 1 101 101 THR CA C 101 61.620 61.620 61.230 0.390 25642 7935 1 17 . 1 1 101 101 THR CB C 101 69.700 69.700 70.993 -1.293 25642 7936 1 17 . 1 1 101 101 THR H H 101 8.950 8.950 8.035 0.915 25642 7937 1 17 . 1 1 102 102 SER N N 102 119.870 119.870 119.395 0.475 25642 7938 1 17 . 1 1 102 102 SER C C 102 174.000 174.000 173.184 0.816 25642 7939 1 17 . 1 1 102 102 SER CA C 102 56.190 56.190 56.003 0.187 25642 7940 1 17 . 1 1 102 102 SER CB C 102 64.710 64.710 65.431 -0.721 25642 7941 1 17 . 1 1 102 102 SER H H 102 8.800 8.800 8.295 0.505 25642 7942 1 17 . 1 1 103 103 LYS N N 103 124.650 124.650 121.685 2.965 25642 7943 1 17 . 1 1 103 103 LYS C C 103 177.200 177.200 175.771 1.429 25642 7944 1 17 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.174 4.126 25642 7945 1 17 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.416 -0.906 25642 7946 1 17 . 1 1 103 103 LYS H H 103 7.560 7.560 8.274 -0.714 25642 7947 1 17 . 1 1 104 104 GLN N N 104 115.370 115.370 115.047 0.323 25642 7948 1 17 . 1 1 104 104 GLN C C 104 174.650 174.650 173.969 0.681 25642 7949 1 17 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.267 0.593 25642 7950 1 17 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.899 -1.019 25642 7951 1 17 . 1 1 104 104 GLN H H 104 7.650 7.650 7.765 -0.115 25642 7952 1 17 . 1 1 105 105 VAL N N 105 125.510 125.510 122.634 2.876 25642 7953 1 17 . 1 1 105 105 VAL C C 105 174.530 174.530 173.509 1.021 25642 7954 1 17 . 1 1 105 105 VAL CA C 105 60.920 60.920 59.881 1.039 25642 7955 1 17 . 1 1 105 105 VAL CB C 105 35.000 35.000 36.290 -1.290 25642 7956 1 17 . 1 1 105 105 VAL H H 105 8.670 8.670 8.091 0.579 25642 7957 1 17 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.278 0.772 25642 7958 1 17 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.741 0.999 25642 7959 1 17 . 1 1 106 106 ARG H H 106 8.560 8.560 8.229 0.331 25642 7960 1 17 . 1 1 107 107 LEU N N 107 125.820 125.820 126.320 -0.500 25642 7961 1 17 . 1 1 107 107 LEU C C 107 176.190 176.190 175.183 1.007 25642 7962 1 17 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.451 -0.881 25642 7963 1 17 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.343 0.787 25642 7964 1 17 . 1 1 107 107 LEU H H 107 8.730 8.730 8.194 0.536 25642 7965 1 17 . 1 1 108 108 TYR N N 108 120.870 120.870 124.604 -3.734 25642 7966 1 17 . 1 1 108 108 TYR C C 108 178.880 178.880 176.956 1.924 25642 7967 1 17 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.546 0.984 25642 7968 1 17 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.638 -0.858 25642 7969 1 17 . 1 1 108 108 TYR H H 108 8.280 8.280 8.541 -0.261 25642 7970 1 17 . 1 1 109 109 GLY N N 109 112.380 112.380 110.292 2.088 25642 7971 1 17 . 1 1 109 109 GLY C C 109 172.330 172.330 174.223 -1.893 25642 7972 1 17 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.204 2.076 25642 7973 1 17 . 1 1 109 109 GLY H H 109 10.080 10.080 8.807 1.273 25642 7974 1 17 . 1 1 110 110 THR N N 110 103.280 103.280 115.066 -11.786 25642 7975 1 17 . 1 1 110 110 THR C C 110 175.370 175.370 175.394 -0.024 25642 7976 1 17 . 1 1 110 110 THR CA C 110 61.220 61.220 62.927 -1.707 25642 7977 1 17 . 1 1 110 110 THR CB C 110 70.160 70.160 68.168 1.992 25642 7978 1 17 . 1 1 110 110 THR H H 110 6.910 6.910 8.381 -1.471 25642 7979 1 17 . 1 1 111 111 SER N N 111 118.040 118.040 116.876 1.164 25642 7980 1 17 . 1 1 111 111 SER C C 111 174.740 174.740 173.127 1.613 25642 7981 1 17 . 1 1 111 111 SER CA C 111 59.070 59.070 59.693 -0.623 25642 7982 1 17 . 1 1 111 111 SER CB C 111 67.870 67.870 64.220 3.650 25642 7983 1 17 . 1 1 111 111 SER H H 111 7.960 7.960 7.392 0.568 25642 7984 1 17 . 1 1 112 112 TYR N N 112 124.220 124.220 121.007 3.213 25642 7985 1 17 . 1 1 112 112 TYR C C 112 174.090 174.090 174.171 -0.081 25642 7986 1 17 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.159 0.251 25642 7987 1 17 . 1 1 112 112 TYR CB C 112 41.690 41.690 43.272 -1.582 25642 7988 1 17 . 1 1 112 112 TYR H H 112 8.720 8.720 8.151 0.569 25642 7989 1 17 . 1 1 113 113 VAL N N 113 129.090 129.090 124.338 4.752 25642 7990 1 17 . 1 1 113 113 VAL C C 113 173.870 173.870 173.826 0.044 25642 7991 1 17 . 1 1 113 113 VAL CA C 113 61.040 61.040 61.414 -0.374 25642 7992 1 17 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.888 0.042 25642 7993 1 17 . 1 1 113 113 VAL H H 113 9.640 9.640 8.066 1.574 25642 7994 1 17 . 1 1 114 114 ASP N N 114 127.460 127.460 127.242 0.218 25642 7995 1 17 . 1 1 114 114 ASP C C 114 176.250 176.250 175.307 0.943 25642 7996 1 17 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.797 -1.327 25642 7997 1 17 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.640 -0.420 25642 7998 1 17 . 1 1 114 114 ASP H H 114 8.630 8.630 8.206 0.424 25642 7999 1 17 . 1 1 115 115 GLY N N 115 113.040 113.040 111.366 1.674 25642 8000 1 17 . 1 1 115 115 GLY C C 115 171.140 171.140 172.589 -1.449 25642 8001 1 17 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.045 0.105 25642 8002 1 17 . 1 1 115 115 GLY H H 115 8.880 8.880 8.186 0.694 25642 8003 1 17 . 1 1 116 116 ASP N N 116 117.450 117.450 122.395 -4.945 25642 8004 1 17 . 1 1 116 116 ASP C C 116 176.850 176.850 175.304 1.546 25642 8005 1 17 . 1 1 116 116 ASP CA C 116 53.360 53.360 55.210 -1.850 25642 8006 1 17 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.446 0.924 25642 8007 1 17 . 1 1 116 116 ASP H H 116 7.390 7.390 8.060 -0.670 25642 8008 1 17 . 1 1 117 117 ILE N N 117 121.440 121.440 125.381 -3.941 25642 8009 1 17 . 1 1 117 117 ILE C C 117 176.780 176.780 173.666 3.114 25642 8010 1 17 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.014 1.706 25642 8011 1 17 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.557 -2.927 25642 8012 1 17 . 1 1 117 117 ILE H H 117 9.200 9.200 7.952 1.248 25642 8013 1 17 . 1 1 118 118 THR N N 118 131.550 131.550 124.498 7.052 25642 8014 1 17 . 1 1 118 118 THR C C 118 173.630 173.630 172.919 0.711 25642 8015 1 17 . 1 1 118 118 THR CA C 118 62.110 62.110 61.060 1.050 25642 8016 1 17 . 1 1 118 118 THR CB C 118 67.860 67.860 70.213 -2.353 25642 8017 1 17 . 1 1 118 118 THR H H 118 9.560 9.560 7.996 1.564 25642 8018 1 17 . 1 1 119 119 HIS N N 119 121.300 121.300 122.907 -1.607 25642 8019 1 17 . 1 1 119 119 HIS C C 119 174.780 174.780 174.098 0.682 25642 8020 1 17 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.860 1.990 25642 8021 1 17 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.414 0.136 25642 8022 1 17 . 1 1 119 119 HIS H H 119 8.290 8.290 8.138 0.152 25642 8023 1 17 . 1 1 120 120 GLU N N 120 118.130 118.130 118.575 -0.445 25642 8024 1 17 . 1 1 120 120 GLU C C 120 177.120 177.120 177.022 0.098 25642 8025 1 17 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.351 1.429 25642 8026 1 17 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.629 -0.329 25642 8027 1 17 . 1 1 120 120 GLU H H 120 7.710 7.710 8.638 -0.928 25642 8028 1 17 . 1 1 121 121 GLN N N 121 117.670 117.670 118.518 -0.848 25642 8029 1 17 . 1 1 121 121 GLN C C 121 172.760 172.760 174.011 -1.251 25642 8030 1 17 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.798 1.082 25642 8031 1 17 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.434 1.146 25642 8032 1 17 . 1 1 121 121 GLN H H 121 8.950 8.950 7.803 1.147 25642 8033 1 17 . 1 1 122 122 LEU N N 122 126.250 126.250 119.252 6.998 25642 8034 1 17 . 1 1 122 122 LEU C C 122 173.300 173.300 175.655 -2.355 25642 8035 1 17 . 1 1 122 122 LEU CA C 122 53.820 53.820 52.930 0.890 25642 8036 1 17 . 1 1 122 122 LEU CB C 122 45.450 45.450 44.786 0.664 25642 8037 1 17 . 1 1 122 122 LEU H H 122 8.660 8.660 8.313 0.347 25642 8038 1 17 . 1 1 123 123 ALA N N 123 126.670 126.670 124.373 2.297 25642 8039 1 17 . 1 1 123 123 ALA C C 123 175.940 175.940 174.908 1.032 25642 8040 1 17 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.154 -1.584 25642 8041 1 17 . 1 1 123 123 ALA CB C 123 22.350 22.350 22.007 0.343 25642 8042 1 17 . 1 1 123 123 ALA H H 123 8.090 8.090 8.527 -0.437 25642 8043 1 17 . 1 1 124 124 MET N N 124 119.800 119.800 119.946 -0.146 25642 8044 1 17 . 1 1 124 124 MET C C 124 174.960 174.960 174.842 0.118 25642 8045 1 17 . 1 1 124 124 MET CA C 124 54.770 54.770 54.543 0.227 25642 8046 1 17 . 1 1 124 124 MET CB C 124 37.620 37.620 35.423 2.197 25642 8047 1 17 . 1 1 124 124 MET H H 124 8.810 8.810 8.445 0.365 25642 8048 1 17 . 1 1 125 125 GLU N N 125 125.500 125.500 122.156 3.344 25642 8049 1 17 . 1 1 125 125 GLU C C 125 175.410 175.410 175.704 -0.294 25642 8050 1 17 . 1 1 125 125 GLU CA C 125 54.670 54.670 53.281 1.389 25642 8051 1 17 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.811 -0.301 25642 8052 1 17 . 1 1 125 125 GLU H H 125 8.760 8.760 8.369 0.391 25642 8053 1 17 . 1 1 126 126 THR N N 126 118.440 118.440 116.288 2.152 25642 8054 1 17 . 1 1 126 126 THR C C 126 174.300 174.300 174.876 -0.576 25642 8055 1 17 . 1 1 126 126 THR CA C 126 65.870 65.870 64.835 1.035 25642 8056 1 17 . 1 1 126 126 THR CB C 126 69.050 69.050 68.654 0.396 25642 8057 1 17 . 1 1 127 127 GLY N N 127 116.970 116.970 111.102 5.868 25642 8058 1 17 . 1 1 127 127 GLY C C 127 175.320 175.320 172.964 2.356 25642 8059 1 17 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.964 0.036 25642 8060 1 17 . 1 1 128 128 ALA N N 128 124.190 124.190 123.602 0.588 25642 8061 1 17 . 1 1 128 128 ALA C C 128 177.670 177.670 175.665 2.005 25642 8062 1 17 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.594 2.046 25642 8063 1 17 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.469 0.281 25642 8064 1 17 . 1 1 128 128 ALA H H 128 7.930 7.930 7.651 0.279 25642 8065 1 17 . 1 1 129 129 PHE N N 129 127.300 127.300 124.373 2.927 25642 8066 1 17 . 1 1 129 129 PHE C C 129 173.400 173.400 173.224 0.176 25642 8067 1 17 . 1 1 129 129 PHE CA C 129 56.890 56.890 57.161 -0.271 25642 8068 1 17 . 1 1 129 129 PHE CB C 129 40.520 40.520 42.215 -1.695 25642 8069 1 17 . 1 1 129 129 PHE H H 129 8.550 8.550 8.083 0.467 25642 8070 1 17 . 1 1 130 130 PHE N N 130 131.220 131.220 124.784 6.436 25642 8071 1 17 . 1 1 130 130 PHE C C 130 173.550 173.550 173.878 -0.328 25642 8072 1 17 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.998 -2.628 25642 8073 1 17 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.804 -0.344 25642 8074 1 17 . 1 1 130 130 PHE H H 130 8.860 8.860 8.709 0.151 25642 8075 1 17 . 1 1 131 131 GLN N N 131 130.230 130.230 127.596 2.634 25642 8076 1 17 . 1 1 131 131 GLN C C 131 173.350 173.350 174.278 -0.928 25642 8077 1 17 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.503 -1.083 25642 8078 1 17 . 1 1 131 131 GLN CB C 131 33.000 33.000 31.032 1.968 25642 8079 1 17 . 1 1 131 131 GLN H H 131 8.840 8.840 8.326 0.514 25642 8080 1 17 . 1 1 132 132 GLY N N 132 112.460 112.460 108.094 4.366 25642 8081 1 17 . 1 1 132 132 GLY C C 132 172.750 172.750 173.013 -0.263 25642 8082 1 17 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.939 -0.469 25642 8083 1 17 . 1 1 133 133 ARG N N 133 119.950 119.950 119.662 0.288 25642 8084 1 17 . 1 1 133 133 ARG C C 133 173.910 173.910 175.834 -1.924 25642 8085 1 17 . 1 1 133 133 ARG CA C 133 55.870 55.870 54.058 1.812 25642 8086 1 17 . 1 1 133 133 ARG CB C 133 32.190 32.190 29.544 2.647 25642 8087 1 17 . 1 1 133 133 ARG H H 133 8.470 8.470 8.227 0.243 25642 8088 1 17 . 1 1 134 134 SER N N 134 119.120 119.120 119.166 -0.046 25642 8089 1 17 . 1 1 134 134 SER C C 134 174.260 174.260 174.356 -0.096 25642 8090 1 17 . 1 1 134 134 SER CA C 134 57.140 57.140 57.782 -0.642 25642 8091 1 17 . 1 1 134 134 SER CB C 134 63.450 63.450 64.286 -0.836 25642 8092 1 17 . 1 1 134 134 SER H H 134 8.680 8.680 8.540 0.140 25642 8093 1 17 . 1 1 135 135 LEU N N 135 127.740 127.740 128.667 -0.927 25642 8094 1 17 . 1 1 135 135 LEU C C 135 174.990 174.990 175.461 -0.471 25642 8095 1 17 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.865 -0.645 25642 8096 1 17 . 1 1 135 135 LEU CB C 135 45.180 45.180 43.017 2.163 25642 8097 1 17 . 1 1 135 135 LEU H H 135 8.560 8.560 8.437 0.123 25642 8098 1 17 . 1 1 136 136 LYS N N 136 118.190 118.190 124.380 -6.190 25642 8099 1 17 . 1 1 136 136 LYS C C 136 178.030 178.030 176.057 1.973 25642 8100 1 17 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.774 -3.714 25642 8101 1 17 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.014 -1.004 25642 8102 1 17 . 1 1 136 136 LYS H H 136 8.180 8.180 8.370 -0.190 25642 8103 1 17 . 1 1 137 137 PHE N N 137 121.570 121.570 126.825 -5.255 25642 8104 1 17 . 1 1 137 137 PHE C C 137 176.370 176.370 176.357 0.013 25642 8105 1 17 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.907 0.033 25642 8106 1 17 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.912 -0.182 25642 8107 1 17 . 1 1 137 137 PHE H H 137 7.800 7.800 8.757 -0.957 25642 8108 1 17 . 1 1 138 138 GLN N N 138 123.070 123.070 121.671 1.399 25642 8109 1 17 . 1 1 138 138 GLN H H 138 8.560 8.560 6.658 1.902 25642 8110 1 18 . 1 1 38 38 VAL C C 38 175.900 175.900 175.908 -0.008 25642 8111 1 18 . 1 1 39 39 ALA N N 39 130.020 130.020 117.607 12.413 25642 8112 1 18 . 1 1 39 39 ALA C C 39 177.440 177.440 176.161 1.279 25642 8113 1 18 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.330 1.050 25642 8114 1 18 . 1 1 39 39 ALA CB C 39 19.820 19.820 21.868 -2.048 25642 8115 1 18 . 1 1 39 39 ALA H H 39 8.200 8.200 7.416 0.784 25642 8116 1 18 . 1 1 40 40 SER N N 40 115.080 115.080 116.135 -1.055 25642 8117 1 18 . 1 1 40 40 SER C C 40 173.460 173.460 172.373 1.087 25642 8118 1 18 . 1 1 40 40 SER CA C 40 60.040 60.040 57.358 2.682 25642 8119 1 18 . 1 1 40 40 SER CB C 40 66.420 66.420 65.525 0.895 25642 8120 1 18 . 1 1 40 40 SER H H 40 7.970 7.970 8.491 -0.521 25642 8121 1 18 . 1 1 41 41 LEU N N 41 127.860 127.860 120.172 7.688 25642 8122 1 18 . 1 1 41 41 LEU C C 41 174.130 174.130 175.369 -1.239 25642 8123 1 18 . 1 1 41 41 LEU CA C 41 54.660 54.660 53.839 0.821 25642 8124 1 18 . 1 1 41 41 LEU CB C 41 46.300 46.300 43.239 3.061 25642 8125 1 18 . 1 1 41 41 LEU H H 41 9.490 9.490 8.405 1.085 25642 8126 1 18 . 1 1 42 42 LEU N N 42 126.730 126.730 125.422 1.308 25642 8127 1 18 . 1 1 42 42 LEU C C 42 175.120 175.120 176.545 -1.425 25642 8128 1 18 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.746 -1.036 25642 8129 1 18 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.288 -1.828 25642 8130 1 18 . 1 1 42 42 LEU H H 42 8.640 8.640 8.715 -0.075 25642 8131 1 18 . 1 1 43 43 SER N N 43 123.530 123.530 120.085 3.445 25642 8132 1 18 . 1 1 43 43 SER C C 43 172.810 172.810 175.563 -2.753 25642 8133 1 18 . 1 1 43 43 SER CA C 43 58.990 58.990 58.334 0.656 25642 8134 1 18 . 1 1 43 43 SER CB C 43 64.200 64.200 64.409 -0.210 25642 8135 1 18 . 1 1 43 43 SER H H 43 9.060 9.060 8.644 0.416 25642 8136 1 18 . 1 1 44 44 ALA N N 44 119.250 119.250 120.215 -0.965 25642 8137 1 18 . 1 1 44 44 ALA C C 44 177.720 177.720 178.087 -0.367 25642 8138 1 18 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.590 0.410 25642 8139 1 18 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.198 -0.468 25642 8140 1 18 . 1 1 44 44 ALA H H 44 8.490 8.490 8.346 0.144 25642 8141 1 18 . 1 1 45 45 ASP N N 45 114.450 114.450 117.661 -3.211 25642 8142 1 18 . 1 1 45 45 ASP C C 45 175.800 175.800 175.462 0.338 25642 8143 1 18 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.972 -0.993 25642 8144 1 18 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.495 1.185 25642 8145 1 18 . 1 1 45 45 ASP H H 45 8.080 8.080 8.004 0.076 25642 8146 1 18 . 1 1 46 46 LEU N N 46 122.200 122.200 120.767 1.433 25642 8147 1 18 . 1 1 46 46 LEU C C 46 176.290 176.290 175.600 0.690 25642 8148 1 18 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.256 0.364 25642 8149 1 18 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.229 2.731 25642 8150 1 18 . 1 1 46 46 LEU H H 46 7.860 7.860 7.178 0.682 25642 8151 1 18 . 1 1 47 47 THR N N 47 119.850 119.850 118.313 1.537 25642 8152 1 18 . 1 1 47 47 THR C C 47 174.140 174.140 173.997 0.143 25642 8153 1 18 . 1 1 47 47 THR CA C 47 61.650 61.650 60.479 1.171 25642 8154 1 18 . 1 1 47 47 THR CB C 47 71.210 71.210 70.377 0.833 25642 8155 1 18 . 1 1 47 47 THR H H 47 9.000 9.000 8.386 0.614 25642 8156 1 18 . 1 1 48 48 ILE N N 48 128.090 128.090 128.950 -0.860 25642 8157 1 18 . 1 1 48 48 ILE C C 48 174.810 174.810 174.623 0.187 25642 8158 1 18 . 1 1 48 48 ILE CA C 48 59.150 59.150 60.315 -1.165 25642 8159 1 18 . 1 1 48 48 ILE CB C 48 40.110 40.110 39.064 1.046 25642 8160 1 18 . 1 1 48 48 ILE H H 48 9.330 9.330 8.349 0.981 25642 8161 1 18 . 1 1 49 49 GLU N N 49 129.080 129.080 126.019 3.061 25642 8162 1 18 . 1 1 49 49 GLU C C 49 175.160 175.160 176.905 -1.745 25642 8163 1 18 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.504 -1.004 25642 8164 1 18 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.589 -2.228 25642 8165 1 18 . 1 1 49 49 GLU H H 49 8.830 8.830 8.534 0.296 25642 8166 1 18 . 1 1 50 50 GLY N N 50 114.250 114.250 113.621 0.629 25642 8167 1 18 . 1 1 50 50 GLY C C 50 170.510 170.510 173.533 -3.023 25642 8168 1 18 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.208 -0.148 25642 8169 1 18 . 1 1 50 50 GLY H H 50 8.320 8.320 8.872 -0.552 25642 8170 1 18 . 1 1 51 51 GLY N N 51 102.740 102.740 108.963 -6.223 25642 8171 1 18 . 1 1 51 51 GLY C C 51 174.230 174.230 172.462 1.768 25642 8172 1 18 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.316 -0.436 25642 8173 1 18 . 1 1 51 51 GLY H H 51 8.000 8.000 7.679 0.321 25642 8174 1 18 . 1 1 52 52 VAL N N 52 122.770 122.770 123.839 -1.069 25642 8175 1 18 . 1 1 52 52 VAL C C 52 175.290 175.290 174.388 0.902 25642 8176 1 18 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.779 0.390 25642 8177 1 18 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.017 -0.067 25642 8178 1 18 . 1 1 52 52 VAL H H 52 8.550 8.550 8.175 0.375 25642 8179 1 18 . 1 1 53 53 THR N N 53 121.860 121.860 124.033 -2.173 25642 8180 1 18 . 1 1 53 53 THR C C 53 173.790 173.790 174.047 -0.257 25642 8181 1 18 . 1 1 53 53 THR CA C 53 60.580 60.580 61.328 -0.748 25642 8182 1 18 . 1 1 53 53 THR CB C 53 72.310 72.310 70.197 2.113 25642 8183 1 18 . 1 1 53 53 THR H H 53 9.150 9.150 8.445 0.705 25642 8184 1 18 . 1 1 54 54 GLY N N 54 112.960 112.960 112.454 0.506 25642 8185 1 18 . 1 1 54 54 GLY C C 54 172.530 172.530 171.987 0.543 25642 8186 1 18 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.747 0.123 25642 8187 1 18 . 1 1 54 54 GLY H H 54 9.080 9.080 8.025 1.055 25642 8188 1 18 . 1 1 55 55 GLU N N 55 118.200 118.200 117.203 0.997 25642 8189 1 18 . 1 1 55 55 GLU C C 55 177.350 177.350 174.695 2.655 25642 8190 1 18 . 1 1 55 55 GLU CA C 55 56.100 56.100 55.826 0.274 25642 8191 1 18 . 1 1 55 55 GLU CB C 55 31.140 31.140 31.676 -0.536 25642 8192 1 18 . 1 1 55 55 GLU H H 55 8.790 8.790 8.914 -0.124 25642 8193 1 18 . 1 1 56 56 GLY N N 56 109.740 109.740 110.171 -0.431 25642 8194 1 18 . 1 1 56 56 GLY C C 56 173.400 173.400 173.081 0.319 25642 8195 1 18 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.659 0.031 25642 8196 1 18 . 1 1 56 56 GLY H H 56 8.580 8.580 8.337 0.243 25642 8197 1 18 . 1 1 57 57 GLU N N 57 122.180 122.180 121.804 0.376 25642 8198 1 18 . 1 1 57 57 GLU C C 57 175.970 175.970 175.287 0.683 25642 8199 1 18 . 1 1 57 57 GLU CA C 57 55.100 55.100 56.236 -1.136 25642 8200 1 18 . 1 1 57 57 GLU CB C 57 31.770 31.770 30.561 1.209 25642 8201 1 18 . 1 1 57 57 GLU H H 57 8.810 8.810 8.203 0.608 25642 8202 1 18 . 1 1 58 58 LEU N N 58 126.040 126.040 128.952 -2.912 25642 8203 1 18 . 1 1 58 58 LEU C C 58 173.100 173.100 174.359 -1.259 25642 8204 1 18 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.622 0.058 25642 8205 1 18 . 1 1 58 58 LEU CB C 58 46.440 46.440 43.845 2.595 25642 8206 1 18 . 1 1 58 58 LEU H H 58 8.720 8.720 8.609 0.111 25642 8207 1 18 . 1 1 59 59 GLN N N 59 127.940 127.940 128.884 -0.944 25642 8208 1 18 . 1 1 59 59 GLN C C 59 174.540 174.540 174.203 0.337 25642 8209 1 18 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.559 -0.719 25642 8210 1 18 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.599 0.191 25642 8211 1 18 . 1 1 59 59 GLN H H 59 8.400 8.400 8.303 0.097 25642 8212 1 18 . 1 1 60 60 ILE N N 60 124.610 124.610 127.591 -2.981 25642 8213 1 18 . 1 1 60 60 ILE C C 60 174.340 174.340 173.171 1.169 25642 8214 1 18 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.097 2.233 25642 8215 1 18 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.526 -0.776 25642 8216 1 18 . 1 1 60 60 ILE H H 60 9.100 9.100 8.350 0.750 25642 8217 1 18 . 1 1 61 61 ASP N N 61 127.350 127.350 128.359 -1.009 25642 8218 1 18 . 1 1 61 61 ASP C C 61 176.210 176.210 175.036 1.174 25642 8219 1 18 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.795 0.105 25642 8220 1 18 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.529 1.950 25642 8221 1 18 . 1 1 61 61 ASP H H 61 9.070 9.070 8.249 0.821 25642 8222 1 18 . 1 1 62 62 GLY N N 62 110.340 110.340 107.007 3.333 25642 8223 1 18 . 1 1 62 62 GLY C C 62 170.870 170.870 172.398 -1.528 25642 8224 1 18 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.285 1.205 25642 8225 1 18 . 1 1 62 62 GLY H H 62 6.590 6.590 7.657 -1.067 25642 8226 1 18 . 1 1 63 63 VAL N N 63 122.570 122.570 119.485 3.085 25642 8227 1 18 . 1 1 63 63 VAL C C 63 176.030 176.030 175.122 0.908 25642 8228 1 18 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.380 0.630 25642 8229 1 18 . 1 1 63 63 VAL CB C 63 34.850 34.850 32.334 2.516 25642 8230 1 18 . 1 1 63 63 VAL H H 63 8.070 8.070 7.779 0.291 25642 8231 1 18 . 1 1 64 64 VAL N N 64 125.470 125.470 129.042 -3.572 25642 8232 1 18 . 1 1 64 64 VAL C C 64 174.410 174.410 174.433 -0.023 25642 8233 1 18 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.596 -0.376 25642 8234 1 18 . 1 1 64 64 VAL CB C 64 35.690 35.690 32.624 3.066 25642 8235 1 18 . 1 1 64 64 VAL H H 64 9.010 9.010 8.240 0.770 25642 8236 1 18 . 1 1 65 65 LYS N N 65 129.120 129.120 126.647 2.473 25642 8237 1 18 . 1 1 65 65 LYS C C 65 175.120 175.120 176.581 -1.461 25642 8238 1 18 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.191 0.119 25642 8239 1 18 . 1 1 65 65 LYS CB C 65 32.440 32.440 36.452 -4.012 25642 8240 1 18 . 1 1 65 65 LYS H H 65 9.150 9.150 8.362 0.788 25642 8241 1 18 . 1 1 66 66 GLY N N 66 115.020 115.020 112.334 2.686 25642 8242 1 18 . 1 1 66 66 GLY C C 66 170.210 170.210 173.425 -3.215 25642 8243 1 18 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.367 0.113 25642 8244 1 18 . 1 1 66 66 GLY H H 66 8.300 8.300 8.300 0.000 25642 8245 1 18 . 1 1 67 67 ASP N N 67 115.420 115.420 121.130 -5.710 25642 8246 1 18 . 1 1 67 67 ASP C C 67 176.920 176.920 176.512 0.408 25642 8247 1 18 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.471 -0.140 25642 8248 1 18 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.371 -0.421 25642 8249 1 18 . 1 1 67 67 ASP H H 67 7.690 7.690 8.209 -0.519 25642 8250 1 18 . 1 1 68 68 VAL N N 68 122.440 122.440 118.995 3.445 25642 8251 1 18 . 1 1 68 68 VAL C C 68 174.450 174.450 174.831 -0.381 25642 8252 1 18 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.191 -0.221 25642 8253 1 18 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.057 2.183 25642 8254 1 18 . 1 1 68 68 VAL H H 68 8.930 8.930 7.823 1.107 25642 8255 1 18 . 1 1 69 69 ARG N N 69 130.610 130.610 128.443 2.167 25642 8256 1 18 . 1 1 69 69 ARG C C 69 175.150 175.150 174.651 0.499 25642 8257 1 18 . 1 1 69 69 ARG CA C 69 54.820 54.820 55.123 -0.303 25642 8258 1 18 . 1 1 69 69 ARG CB C 69 32.000 32.000 31.626 0.374 25642 8259 1 18 . 1 1 69 69 ARG H H 69 9.110 9.110 8.660 0.450 25642 8260 1 18 . 1 1 70 70 VAL N N 70 114.530 114.530 122.754 -8.224 25642 8261 1 18 . 1 1 70 70 VAL C C 70 175.440 175.440 175.833 -0.393 25642 8262 1 18 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.706 -2.307 25642 8263 1 18 . 1 1 70 70 VAL CB C 70 35.370 35.370 36.209 -0.839 25642 8264 1 18 . 1 1 70 70 VAL H H 70 8.290 8.290 7.577 0.713 25642 8265 1 18 . 1 1 71 71 GLY N N 71 108.150 108.150 110.442 -2.292 25642 8266 1 18 . 1 1 71 71 GLY C C 71 174.710 174.710 173.676 1.034 25642 8267 1 18 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.465 1.435 25642 8268 1 18 . 1 1 71 71 GLY H H 71 8.110 8.110 8.782 -0.672 25642 8269 1 18 . 1 1 72 72 ARG N N 72 120.660 120.660 120.930 -0.270 25642 8270 1 18 . 1 1 72 72 ARG C C 72 173.620 173.620 174.241 -0.621 25642 8271 1 18 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.835 0.485 25642 8272 1 18 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.533 1.247 25642 8273 1 18 . 1 1 72 72 ARG H H 72 7.690 7.690 7.580 0.110 25642 8274 1 18 . 1 1 73 73 LEU N N 73 125.710 125.710 127.714 -2.004 25642 8275 1 18 . 1 1 73 73 LEU C C 73 175.230 175.230 174.621 0.609 25642 8276 1 18 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.943 -1.393 25642 8277 1 18 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.098 1.432 25642 8278 1 18 . 1 1 73 73 LEU H H 73 8.570 8.570 8.752 -0.182 25642 8279 1 18 . 1 1 74 74 THR N N 74 123.150 123.150 125.075 -1.925 25642 8280 1 18 . 1 1 74 74 THR C C 74 173.670 173.670 173.664 0.006 25642 8281 1 18 . 1 1 74 74 THR CA C 74 61.480 61.480 61.320 0.160 25642 8282 1 18 . 1 1 74 74 THR CB C 74 70.710 70.710 69.798 0.912 25642 8283 1 18 . 1 1 74 74 THR H H 74 8.860 8.860 8.739 0.121 25642 8284 1 18 . 1 1 75 75 VAL N N 75 127.890 127.890 128.392 -0.502 25642 8285 1 18 . 1 1 75 75 VAL C C 75 176.800 176.800 176.704 0.096 25642 8286 1 18 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.830 -0.700 25642 8287 1 18 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.555 2.285 25642 8288 1 18 . 1 1 75 75 VAL H H 75 8.910 8.910 8.524 0.386 25642 8289 1 18 . 1 1 76 76 GLY N N 76 116.590 116.590 116.115 0.475 25642 8290 1 18 . 1 1 76 76 GLY C C 76 174.060 174.060 174.012 0.048 25642 8291 1 18 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.708 -0.478 25642 8292 1 18 . 1 1 76 76 GLY H H 76 8.980 8.980 8.842 0.138 25642 8293 1 18 . 1 1 77 77 GLU N N 77 121.140 121.140 118.552 2.588 25642 8294 1 18 . 1 1 77 77 GLU C C 77 178.620 178.620 178.798 -0.178 25642 8295 1 18 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.139 2.361 25642 8296 1 18 . 1 1 77 77 GLU CB C 77 30.120 30.120 30.068 0.052 25642 8297 1 18 . 1 1 77 77 GLU H H 77 9.260 9.260 8.847 0.413 25642 8298 1 18 . 1 1 78 78 THR N N 78 105.330 105.330 114.246 -8.916 25642 8299 1 18 . 1 1 78 78 THR C C 78 174.990 174.990 175.230 -0.240 25642 8300 1 18 . 1 1 78 78 THR CA C 78 62.040 62.040 64.820 -2.780 25642 8301 1 18 . 1 1 78 78 THR CB C 78 69.880 69.880 68.405 1.475 25642 8302 1 18 . 1 1 78 78 THR H H 78 8.010 8.010 8.123 -0.113 25642 8303 1 18 . 1 1 79 79 GLY N N 79 111.420 111.420 108.833 2.587 25642 8304 1 18 . 1 1 79 79 GLY C C 79 174.270 174.270 174.338 -0.068 25642 8305 1 18 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.011 -0.761 25642 8306 1 18 . 1 1 79 79 GLY H H 79 8.240 8.240 8.417 -0.177 25642 8307 1 18 . 1 1 80 80 HIS N N 80 123.970 123.970 118.757 5.213 25642 8308 1 18 . 1 1 80 80 HIS C C 80 173.800 173.800 174.030 -0.230 25642 8309 1 18 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.330 0.530 25642 8310 1 18 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.832 4.238 25642 8311 1 18 . 1 1 80 80 HIS H H 80 8.860 8.860 7.571 1.289 25642 8312 1 18 . 1 1 81 81 VAL N N 81 125.720 125.720 125.885 -0.165 25642 8313 1 18 . 1 1 81 81 VAL C C 81 174.580 174.580 173.705 0.875 25642 8314 1 18 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.267 -1.607 25642 8315 1 18 . 1 1 81 81 VAL CB C 81 34.860 34.860 33.995 0.866 25642 8316 1 18 . 1 1 81 81 VAL H H 81 8.900 8.900 8.221 0.679 25642 8317 1 18 . 1 1 82 82 GLU N N 82 129.500 129.500 126.850 2.650 25642 8318 1 18 . 1 1 82 82 GLU C C 82 175.200 175.200 175.389 -0.189 25642 8319 1 18 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.095 -1.195 25642 8320 1 18 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.418 -1.548 25642 8321 1 18 . 1 1 82 82 GLU H H 82 9.270 9.270 8.832 0.438 25642 8322 1 18 . 1 1 83 83 GLY N N 83 114.070 114.070 111.743 2.327 25642 8323 1 18 . 1 1 83 83 GLY C C 83 171.310 171.310 172.394 -1.084 25642 8324 1 18 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.199 -0.249 25642 8325 1 18 . 1 1 83 83 GLY H H 83 8.450 8.450 8.324 0.126 25642 8326 1 18 . 1 1 84 84 SER N N 84 113.810 113.810 117.822 -4.012 25642 8327 1 18 . 1 1 84 84 SER C C 84 173.140 173.140 173.465 -0.325 25642 8328 1 18 . 1 1 84 84 SER CA C 84 57.720 57.720 57.778 -0.058 25642 8329 1 18 . 1 1 84 84 SER CB C 84 64.950 64.950 64.067 0.883 25642 8330 1 18 . 1 1 84 84 SER H H 84 8.320 8.320 8.046 0.274 25642 8331 1 18 . 1 1 85 85 VAL N N 85 121.060 121.060 126.028 -4.968 25642 8332 1 18 . 1 1 85 85 VAL C C 85 174.960 174.960 173.869 1.091 25642 8333 1 18 . 1 1 85 85 VAL CA C 85 60.420 60.420 60.975 -0.555 25642 8334 1 18 . 1 1 85 85 VAL CB C 85 34.900 34.900 31.265 3.635 25642 8335 1 18 . 1 1 85 85 VAL H H 85 8.730 8.730 7.907 0.823 25642 8336 1 18 . 1 1 86 86 TYR N N 86 129.090 129.090 127.715 1.375 25642 8337 1 18 . 1 1 86 86 TYR C C 86 174.420 174.420 174.413 0.007 25642 8338 1 18 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.042 0.418 25642 8339 1 18 . 1 1 86 86 TYR CB C 86 40.850 40.850 39.594 1.256 25642 8340 1 18 . 1 1 86 86 TYR H H 86 9.580 9.580 8.078 1.502 25642 8341 1 18 . 1 1 87 87 ALA N N 87 122.670 122.670 125.984 -3.314 25642 8342 1 18 . 1 1 87 87 ALA C C 87 177.320 177.320 175.595 1.725 25642 8343 1 18 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.326 -0.066 25642 8344 1 18 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.588 0.862 25642 8345 1 18 . 1 1 87 87 ALA H H 87 8.080 8.080 8.146 -0.066 25642 8346 1 18 . 1 1 88 88 GLU N N 88 120.180 120.180 119.185 0.995 25642 8347 1 18 . 1 1 88 88 GLU C C 88 177.310 177.310 176.522 0.788 25642 8348 1 18 . 1 1 88 88 GLU CA C 88 59.190 59.190 59.100 0.090 25642 8349 1 18 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.947 -1.297 25642 8350 1 18 . 1 1 88 88 GLU H H 88 8.640 8.640 8.386 0.254 25642 8351 1 18 . 1 1 89 89 ALA N N 89 118.770 118.770 118.603 0.167 25642 8352 1 18 . 1 1 89 89 ALA C C 89 175.890 175.890 175.136 0.754 25642 8353 1 18 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.392 1.118 25642 8354 1 18 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.721 -0.451 25642 8355 1 18 . 1 1 89 89 ALA H H 89 7.340 7.340 7.811 -0.471 25642 8356 1 18 . 1 1 90 90 VAL N N 90 119.720 119.720 118.366 1.354 25642 8357 1 18 . 1 1 90 90 VAL C C 90 174.710 174.710 174.228 0.482 25642 8358 1 18 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.852 -0.332 25642 8359 1 18 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.031 0.959 25642 8360 1 18 . 1 1 90 90 VAL H H 90 8.490 8.490 7.990 0.500 25642 8361 1 18 . 1 1 91 91 GLU N N 91 128.200 128.200 127.643 0.557 25642 8362 1 18 . 1 1 91 91 GLU C C 91 175.470 175.470 175.849 -0.379 25642 8363 1 18 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.623 0.167 25642 8364 1 18 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.686 0.994 25642 8365 1 18 . 1 1 91 91 GLU H H 91 9.070 9.070 9.131 -0.061 25642 8366 1 18 . 1 1 92 92 VAL N N 92 122.080 122.080 124.898 -2.818 25642 8367 1 18 . 1 1 92 92 VAL C C 92 174.490 174.490 175.358 -0.868 25642 8368 1 18 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.682 0.978 25642 8369 1 18 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.459 0.631 25642 8370 1 18 . 1 1 92 92 VAL H H 92 9.450 9.450 8.260 1.190 25642 8371 1 18 . 1 1 93 93 ARG N N 93 123.900 123.900 121.498 2.402 25642 8372 1 18 . 1 1 93 93 ARG C C 93 176.280 176.280 175.346 0.934 25642 8373 1 18 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.213 1.077 25642 8374 1 18 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.730 -0.840 25642 8375 1 18 . 1 1 93 93 ARG H H 93 9.200 9.200 8.167 1.033 25642 8376 1 18 . 1 1 94 94 GLY N N 94 111.100 111.100 107.119 3.981 25642 8377 1 18 . 1 1 94 94 GLY C C 94 170.710 170.710 172.275 -1.565 25642 8378 1 18 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.132 0.659 25642 8379 1 18 . 1 1 94 94 GLY H H 94 6.250 6.250 7.985 -1.735 25642 8380 1 18 . 1 1 95 95 ARG N N 95 126.190 126.190 120.067 6.123 25642 8381 1 18 . 1 1 95 95 ARG C C 95 175.570 175.570 175.493 0.077 25642 8382 1 18 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.417 -0.747 25642 8383 1 18 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.417 1.503 25642 8384 1 18 . 1 1 95 95 ARG H H 95 8.140 8.140 7.799 0.341 25642 8385 1 18 . 1 1 96 96 VAL N N 96 124.800 124.800 123.211 1.589 25642 8386 1 18 . 1 1 96 96 VAL C C 96 174.070 174.070 174.516 -0.446 25642 8387 1 18 . 1 1 96 96 VAL CA C 96 61.160 61.160 61.330 -0.170 25642 8388 1 18 . 1 1 96 96 VAL CB C 96 35.860 35.860 33.873 1.986 25642 8389 1 18 . 1 1 96 96 VAL H H 96 9.430 9.430 9.132 0.298 25642 8390 1 18 . 1 1 97 97 VAL N N 97 128.010 128.010 125.050 2.960 25642 8391 1 18 . 1 1 97 97 VAL C C 97 176.430 176.430 175.202 1.228 25642 8392 1 18 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.459 0.621 25642 8393 1 18 . 1 1 97 97 VAL CB C 97 33.630 33.630 32.261 1.369 25642 8394 1 18 . 1 1 97 97 VAL H H 97 9.260 9.260 8.901 0.359 25642 8395 1 18 . 1 1 98 98 GLY N N 98 116.340 116.340 116.189 0.151 25642 8396 1 18 . 1 1 98 98 GLY C C 98 171.770 171.770 172.068 -0.298 25642 8397 1 18 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.196 -0.306 25642 8398 1 18 . 1 1 98 98 GLY H H 98 8.600 8.600 8.020 0.580 25642 8399 1 18 . 1 1 99 99 ALA N N 99 124.110 124.110 123.297 0.813 25642 8400 1 18 . 1 1 99 99 ALA C C 99 176.060 176.060 174.653 1.407 25642 8401 1 18 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.598 0.092 25642 8402 1 18 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.765 -1.065 25642 8403 1 18 . 1 1 99 99 ALA H H 99 8.110 8.110 7.869 0.241 25642 8404 1 18 . 1 1 100 100 ILE N N 100 119.340 119.340 121.850 -2.510 25642 8405 1 18 . 1 1 100 100 ILE C C 100 174.770 174.770 173.124 1.646 25642 8406 1 18 . 1 1 100 100 ILE CA C 100 60.620 60.620 60.327 0.293 25642 8407 1 18 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.612 0.708 25642 8408 1 18 . 1 1 100 100 ILE H H 100 8.910 8.910 8.290 0.620 25642 8409 1 18 . 1 1 101 101 THR N N 101 127.010 127.010 125.540 1.470 25642 8410 1 18 . 1 1 101 101 THR C C 101 173.980 173.980 173.463 0.517 25642 8411 1 18 . 1 1 101 101 THR CA C 101 61.620 61.620 61.234 0.386 25642 8412 1 18 . 1 1 101 101 THR CB C 101 69.700 69.700 71.309 -1.609 25642 8413 1 18 . 1 1 101 101 THR H H 101 8.950 8.950 8.876 0.074 25642 8414 1 18 . 1 1 102 102 SER N N 102 119.870 119.870 120.122 -0.252 25642 8415 1 18 . 1 1 102 102 SER C C 102 174.000 174.000 173.482 0.518 25642 8416 1 18 . 1 1 102 102 SER CA C 102 56.190 56.190 57.455 -1.265 25642 8417 1 18 . 1 1 102 102 SER CB C 102 64.710 64.710 66.800 -2.091 25642 8418 1 18 . 1 1 102 102 SER H H 102 8.800 8.800 8.470 0.330 25642 8419 1 18 . 1 1 103 103 LYS N N 103 124.650 124.650 121.126 3.524 25642 8420 1 18 . 1 1 103 103 LYS C C 103 177.200 177.200 176.356 0.844 25642 8421 1 18 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.731 2.569 25642 8422 1 18 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.427 -0.917 25642 8423 1 18 . 1 1 103 103 LYS H H 103 7.560 7.560 8.530 -0.970 25642 8424 1 18 . 1 1 104 104 GLN N N 104 115.370 115.370 116.304 -0.934 25642 8425 1 18 . 1 1 104 104 GLN C C 104 174.650 174.650 173.875 0.775 25642 8426 1 18 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.633 0.227 25642 8427 1 18 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.253 -1.373 25642 8428 1 18 . 1 1 104 104 GLN H H 104 7.650 7.650 8.076 -0.426 25642 8429 1 18 . 1 1 105 105 VAL N N 105 125.510 125.510 123.372 2.138 25642 8430 1 18 . 1 1 105 105 VAL C C 105 174.530 174.530 174.108 0.422 25642 8431 1 18 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.437 -0.517 25642 8432 1 18 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.914 -0.914 25642 8433 1 18 . 1 1 105 105 VAL H H 105 8.670 8.670 8.136 0.534 25642 8434 1 18 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.644 0.406 25642 8435 1 18 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.864 0.876 25642 8436 1 18 . 1 1 106 106 ARG H H 106 8.560 8.560 8.572 -0.012 25642 8437 1 18 . 1 1 107 107 LEU N N 107 125.820 125.820 126.642 -0.822 25642 8438 1 18 . 1 1 107 107 LEU C C 107 176.190 176.190 175.470 0.720 25642 8439 1 18 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.151 -0.581 25642 8440 1 18 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.577 0.553 25642 8441 1 18 . 1 1 107 107 LEU H H 107 8.730 8.730 8.017 0.713 25642 8442 1 18 . 1 1 108 108 TYR N N 108 120.870 120.870 123.667 -2.797 25642 8443 1 18 . 1 1 108 108 TYR C C 108 178.880 178.880 177.172 1.708 25642 8444 1 18 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.477 1.053 25642 8445 1 18 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.099 -0.320 25642 8446 1 18 . 1 1 108 108 TYR H H 108 8.280 8.280 7.719 0.561 25642 8447 1 18 . 1 1 109 109 GLY N N 109 112.380 112.380 109.756 2.624 25642 8448 1 18 . 1 1 109 109 GLY C C 109 172.330 172.330 175.563 -3.233 25642 8449 1 18 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.557 1.723 25642 8450 1 18 . 1 1 109 109 GLY H H 109 10.080 10.080 8.763 1.317 25642 8451 1 18 . 1 1 110 110 THR N N 110 103.280 103.280 115.697 -12.417 25642 8452 1 18 . 1 1 110 110 THR C C 110 175.370 175.370 175.008 0.362 25642 8453 1 18 . 1 1 110 110 THR CA C 110 61.220 61.220 62.217 -0.997 25642 8454 1 18 . 1 1 110 110 THR CB C 110 70.160 70.160 67.234 2.926 25642 8455 1 18 . 1 1 110 110 THR H H 110 6.910 6.910 8.569 -1.659 25642 8456 1 18 . 1 1 111 111 SER N N 111 118.040 118.040 116.639 1.401 25642 8457 1 18 . 1 1 111 111 SER C C 111 174.740 174.740 173.637 1.103 25642 8458 1 18 . 1 1 111 111 SER CA C 111 59.070 59.070 59.344 -0.274 25642 8459 1 18 . 1 1 111 111 SER CB C 111 67.870 67.870 63.908 3.962 25642 8460 1 18 . 1 1 111 111 SER H H 111 7.960 7.960 8.048 -0.088 25642 8461 1 18 . 1 1 112 112 TYR N N 112 124.220 124.220 124.739 -0.519 25642 8462 1 18 . 1 1 112 112 TYR C C 112 174.090 174.090 173.186 0.904 25642 8463 1 18 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.173 0.237 25642 8464 1 18 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.436 -0.746 25642 8465 1 18 . 1 1 112 112 TYR H H 112 8.720 8.720 8.365 0.355 25642 8466 1 18 . 1 1 113 113 VAL N N 113 129.090 129.090 127.611 1.479 25642 8467 1 18 . 1 1 113 113 VAL C C 113 173.870 173.870 173.670 0.200 25642 8468 1 18 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.735 0.305 25642 8469 1 18 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.775 0.155 25642 8470 1 18 . 1 1 113 113 VAL H H 113 9.640 9.640 7.706 1.934 25642 8471 1 18 . 1 1 114 114 ASP N N 114 127.460 127.460 125.290 2.170 25642 8472 1 18 . 1 1 114 114 ASP C C 114 176.250 176.250 175.386 0.864 25642 8473 1 18 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.690 -1.220 25642 8474 1 18 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.014 0.206 25642 8475 1 18 . 1 1 114 114 ASP H H 114 8.630 8.630 7.939 0.691 25642 8476 1 18 . 1 1 115 115 GLY N N 115 113.040 113.040 111.925 1.115 25642 8477 1 18 . 1 1 115 115 GLY C C 115 171.140 171.140 172.401 -1.261 25642 8478 1 18 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.073 0.077 25642 8479 1 18 . 1 1 115 115 GLY H H 115 8.880 8.880 8.097 0.783 25642 8480 1 18 . 1 1 116 116 ASP N N 116 117.450 117.450 123.309 -5.859 25642 8481 1 18 . 1 1 116 116 ASP C C 116 176.850 176.850 174.968 1.882 25642 8482 1 18 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.326 0.034 25642 8483 1 18 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.833 0.537 25642 8484 1 18 . 1 1 116 116 ASP H H 116 7.390 7.390 7.960 -0.570 25642 8485 1 18 . 1 1 117 117 ILE N N 117 121.440 121.440 125.845 -4.405 25642 8486 1 18 . 1 1 117 117 ILE C C 117 176.780 176.780 174.940 1.840 25642 8487 1 18 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.591 1.129 25642 8488 1 18 . 1 1 117 117 ILE CB C 117 38.630 38.630 41.126 -2.496 25642 8489 1 18 . 1 1 117 117 ILE H H 117 9.200 9.200 8.081 1.119 25642 8490 1 18 . 1 1 118 118 THR N N 118 131.550 131.550 123.176 8.374 25642 8491 1 18 . 1 1 118 118 THR C C 118 173.630 173.630 172.918 0.712 25642 8492 1 18 . 1 1 118 118 THR CA C 118 62.110 62.110 61.115 0.995 25642 8493 1 18 . 1 1 118 118 THR CB C 118 67.860 67.860 71.254 -3.394 25642 8494 1 18 . 1 1 118 118 THR H H 118 9.560 9.560 8.128 1.432 25642 8495 1 18 . 1 1 119 119 HIS N N 119 121.300 121.300 120.890 0.410 25642 8496 1 18 . 1 1 119 119 HIS C C 119 174.780 174.780 173.877 0.903 25642 8497 1 18 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.876 0.974 25642 8498 1 18 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.337 1.213 25642 8499 1 18 . 1 1 119 119 HIS H H 119 8.290 8.290 8.458 -0.168 25642 8500 1 18 . 1 1 120 120 GLU N N 120 118.130 118.130 119.035 -0.905 25642 8501 1 18 . 1 1 120 120 GLU C C 120 177.120 177.120 176.883 0.237 25642 8502 1 18 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.807 1.973 25642 8503 1 18 . 1 1 120 120 GLU CB C 120 30.300 30.300 31.005 -0.705 25642 8504 1 18 . 1 1 120 120 GLU H H 120 7.710 7.710 8.733 -1.023 25642 8505 1 18 . 1 1 121 121 GLN N N 121 117.670 117.670 117.830 -0.160 25642 8506 1 18 . 1 1 121 121 GLN C C 121 172.760 172.760 173.960 -1.200 25642 8507 1 18 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.801 1.079 25642 8508 1 18 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.965 0.616 25642 8509 1 18 . 1 1 121 121 GLN H H 121 8.950 8.950 7.707 1.243 25642 8510 1 18 . 1 1 122 122 LEU N N 122 126.250 126.250 117.328 8.922 25642 8511 1 18 . 1 1 122 122 LEU C C 122 173.300 173.300 175.051 -1.751 25642 8512 1 18 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.456 0.364 25642 8513 1 18 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.636 -0.186 25642 8514 1 18 . 1 1 122 122 LEU H H 122 8.660 8.660 8.254 0.406 25642 8515 1 18 . 1 1 123 123 ALA N N 123 126.670 126.670 125.476 1.194 25642 8516 1 18 . 1 1 123 123 ALA C C 123 175.940 175.940 175.708 0.232 25642 8517 1 18 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.757 -2.187 25642 8518 1 18 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.889 0.461 25642 8519 1 18 . 1 1 123 123 ALA H H 123 8.090 8.090 8.640 -0.550 25642 8520 1 18 . 1 1 124 124 MET N N 124 119.800 119.800 121.469 -1.669 25642 8521 1 18 . 1 1 124 124 MET C C 124 174.960 174.960 175.577 -0.617 25642 8522 1 18 . 1 1 124 124 MET CA C 124 54.770 54.770 52.810 1.960 25642 8523 1 18 . 1 1 124 124 MET CB C 124 37.620 37.620 31.650 5.970 25642 8524 1 18 . 1 1 124 124 MET H H 124 8.810 8.810 8.417 0.393 25642 8525 1 18 . 1 1 125 125 GLU N N 125 125.500 125.500 124.397 1.103 25642 8526 1 18 . 1 1 125 125 GLU C C 125 175.410 175.410 176.062 -0.652 25642 8527 1 18 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.173 0.497 25642 8528 1 18 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.179 0.331 25642 8529 1 18 . 1 1 125 125 GLU H H 125 8.760 8.760 8.030 0.730 25642 8530 1 18 . 1 1 126 126 THR N N 126 118.440 118.440 115.360 3.080 25642 8531 1 18 . 1 1 126 126 THR C C 126 174.300 174.300 175.464 -1.164 25642 8532 1 18 . 1 1 126 126 THR CA C 126 65.870 65.870 64.691 1.179 25642 8533 1 18 . 1 1 126 126 THR CB C 126 69.050 69.050 69.196 -0.146 25642 8534 1 18 . 1 1 127 127 GLY N N 127 116.970 116.970 111.813 5.157 25642 8535 1 18 . 1 1 127 127 GLY C C 127 175.320 175.320 173.018 2.302 25642 8536 1 18 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.143 -0.143 25642 8537 1 18 . 1 1 128 128 ALA N N 128 124.190 124.190 123.291 0.899 25642 8538 1 18 . 1 1 128 128 ALA C C 128 177.670 177.670 175.995 1.675 25642 8539 1 18 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.311 2.329 25642 8540 1 18 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.664 0.086 25642 8541 1 18 . 1 1 128 128 ALA H H 128 7.930 7.930 7.141 0.789 25642 8542 1 18 . 1 1 129 129 PHE N N 129 127.300 127.300 126.261 1.039 25642 8543 1 18 . 1 1 129 129 PHE C C 129 173.400 173.400 173.832 -0.432 25642 8544 1 18 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.791 0.099 25642 8545 1 18 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.285 -0.765 25642 8546 1 18 . 1 1 129 129 PHE H H 129 8.550 8.550 8.857 -0.307 25642 8547 1 18 . 1 1 130 130 PHE N N 130 131.220 131.220 120.759 10.461 25642 8548 1 18 . 1 1 130 130 PHE C C 130 173.550 173.550 174.499 -0.949 25642 8549 1 18 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.622 -2.252 25642 8550 1 18 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.290 -0.830 25642 8551 1 18 . 1 1 130 130 PHE H H 130 8.860 8.860 8.133 0.727 25642 8552 1 18 . 1 1 131 131 GLN N N 131 130.230 130.230 123.279 6.951 25642 8553 1 18 . 1 1 131 131 GLN C C 131 173.350 173.350 175.117 -1.767 25642 8554 1 18 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.856 -1.436 25642 8555 1 18 . 1 1 131 131 GLN CB C 131 33.000 33.000 29.854 3.146 25642 8556 1 18 . 1 1 131 131 GLN H H 131 8.840 8.840 8.399 0.441 25642 8557 1 18 . 1 1 132 132 GLY N N 132 112.460 112.460 108.663 3.797 25642 8558 1 18 . 1 1 132 132 GLY C C 132 172.750 172.750 172.709 0.041 25642 8559 1 18 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.163 -0.693 25642 8560 1 18 . 1 1 133 133 ARG N N 133 119.950 119.950 120.772 -0.822 25642 8561 1 18 . 1 1 133 133 ARG C C 133 173.910 173.910 175.506 -1.596 25642 8562 1 18 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.573 0.297 25642 8563 1 18 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.907 1.283 25642 8564 1 18 . 1 1 133 133 ARG H H 133 8.470 8.470 8.227 0.243 25642 8565 1 18 . 1 1 134 134 SER N N 134 119.120 119.120 121.263 -2.143 25642 8566 1 18 . 1 1 134 134 SER C C 134 174.260 174.260 174.067 0.193 25642 8567 1 18 . 1 1 134 134 SER CA C 134 57.140 57.140 57.469 -0.329 25642 8568 1 18 . 1 1 134 134 SER CB C 134 63.450 63.450 63.801 -0.351 25642 8569 1 18 . 1 1 134 134 SER H H 134 8.680 8.680 8.706 -0.026 25642 8570 1 18 . 1 1 135 135 LEU N N 135 127.740 127.740 129.195 -1.455 25642 8571 1 18 . 1 1 135 135 LEU C C 135 174.990 174.990 175.524 -0.534 25642 8572 1 18 . 1 1 135 135 LEU CA C 135 53.220 53.220 53.916 -0.696 25642 8573 1 18 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.335 2.845 25642 8574 1 18 . 1 1 135 135 LEU H H 135 8.560 8.560 8.587 -0.027 25642 8575 1 18 . 1 1 136 136 LYS N N 136 118.190 118.190 123.281 -5.091 25642 8576 1 18 . 1 1 136 136 LYS C C 136 178.030 178.030 175.766 2.264 25642 8577 1 18 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.710 -2.650 25642 8578 1 18 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.847 -0.837 25642 8579 1 18 . 1 1 136 136 LYS H H 136 8.180 8.180 8.130 0.050 25642 8580 1 18 . 1 1 137 137 PHE N N 137 121.570 121.570 124.151 -2.581 25642 8581 1 18 . 1 1 137 137 PHE C C 137 176.370 176.370 175.043 1.327 25642 8582 1 18 . 1 1 137 137 PHE CA C 137 58.940 58.940 57.892 1.048 25642 8583 1 18 . 1 1 137 137 PHE CB C 137 39.730 39.730 41.013 -1.282 25642 8584 1 18 . 1 1 137 137 PHE H H 137 7.800 7.800 8.133 -0.333 25642 8585 1 18 . 1 1 138 138 GLN N N 138 123.070 123.070 119.939 3.131 25642 8586 1 18 . 1 1 138 138 GLN H H 138 8.560 8.560 8.755 -0.195 25642 8587 1 19 . 1 1 38 38 VAL C C 38 175.900 175.900 174.794 1.106 25642 8588 1 19 . 1 1 39 39 ALA N N 39 130.020 130.020 118.592 11.428 25642 8589 1 19 . 1 1 39 39 ALA C C 39 177.440 177.440 176.067 1.373 25642 8590 1 19 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.138 1.242 25642 8591 1 19 . 1 1 39 39 ALA CB C 39 19.820 19.820 22.115 -2.295 25642 8592 1 19 . 1 1 39 39 ALA H H 39 8.200 8.200 7.558 0.642 25642 8593 1 19 . 1 1 40 40 SER N N 40 115.080 115.080 113.213 1.867 25642 8594 1 19 . 1 1 40 40 SER C C 40 173.460 173.460 172.095 1.365 25642 8595 1 19 . 1 1 40 40 SER CA C 40 60.040 60.040 58.086 1.954 25642 8596 1 19 . 1 1 40 40 SER CB C 40 66.420 66.420 66.506 -0.086 25642 8597 1 19 . 1 1 40 40 SER H H 40 7.970 7.970 8.275 -0.305 25642 8598 1 19 . 1 1 41 41 LEU N N 41 127.860 127.860 119.592 8.268 25642 8599 1 19 . 1 1 41 41 LEU C C 41 174.130 174.130 175.837 -1.707 25642 8600 1 19 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.154 0.506 25642 8601 1 19 . 1 1 41 41 LEU CB C 41 46.300 46.300 43.468 2.833 25642 8602 1 19 . 1 1 41 41 LEU H H 41 9.490 9.490 8.481 1.009 25642 8603 1 19 . 1 1 42 42 LEU N N 42 126.730 126.730 124.870 1.860 25642 8604 1 19 . 1 1 42 42 LEU C C 42 175.120 175.120 177.196 -2.076 25642 8605 1 19 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.768 -1.058 25642 8606 1 19 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.145 -1.685 25642 8607 1 19 . 1 1 42 42 LEU H H 42 8.640 8.640 8.095 0.545 25642 8608 1 19 . 1 1 43 43 SER N N 43 123.530 123.530 119.640 3.890 25642 8609 1 19 . 1 1 43 43 SER C C 43 172.810 172.810 175.106 -2.296 25642 8610 1 19 . 1 1 43 43 SER CA C 43 58.990 58.990 59.243 -0.253 25642 8611 1 19 . 1 1 43 43 SER CB C 43 64.200 64.200 63.893 0.307 25642 8612 1 19 . 1 1 43 43 SER H H 43 9.060 9.060 8.711 0.349 25642 8613 1 19 . 1 1 44 44 ALA N N 44 119.250 119.250 120.853 -1.603 25642 8614 1 19 . 1 1 44 44 ALA C C 44 177.720 177.720 178.340 -0.620 25642 8615 1 19 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.879 0.121 25642 8616 1 19 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.433 -0.703 25642 8617 1 19 . 1 1 44 44 ALA H H 44 8.490 8.490 8.266 0.224 25642 8618 1 19 . 1 1 45 45 ASP N N 45 114.450 114.450 117.009 -2.559 25642 8619 1 19 . 1 1 45 45 ASP C C 45 175.800 175.800 175.341 0.459 25642 8620 1 19 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.918 -0.938 25642 8621 1 19 . 1 1 45 45 ASP CB C 45 41.680 41.680 40.053 1.627 25642 8622 1 19 . 1 1 45 45 ASP H H 45 8.080 8.080 8.372 -0.292 25642 8623 1 19 . 1 1 46 46 LEU N N 46 122.200 122.200 120.257 1.943 25642 8624 1 19 . 1 1 46 46 LEU C C 46 176.290 176.290 175.520 0.770 25642 8625 1 19 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.258 0.362 25642 8626 1 19 . 1 1 46 46 LEU CB C 46 45.960 45.960 43.447 2.513 25642 8627 1 19 . 1 1 46 46 LEU H H 46 7.860 7.860 7.288 0.572 25642 8628 1 19 . 1 1 47 47 THR N N 47 119.850 119.850 117.463 2.387 25642 8629 1 19 . 1 1 47 47 THR C C 47 174.140 174.140 174.188 -0.048 25642 8630 1 19 . 1 1 47 47 THR CA C 47 61.650 61.650 60.164 1.486 25642 8631 1 19 . 1 1 47 47 THR CB C 47 71.210 71.210 70.052 1.158 25642 8632 1 19 . 1 1 47 47 THR H H 47 9.000 9.000 8.369 0.631 25642 8633 1 19 . 1 1 48 48 ILE N N 48 128.090 128.090 128.381 -0.291 25642 8634 1 19 . 1 1 48 48 ILE C C 48 174.810 174.810 175.612 -0.802 25642 8635 1 19 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.563 -0.413 25642 8636 1 19 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.448 1.662 25642 8637 1 19 . 1 1 48 48 ILE H H 48 9.330 9.330 8.202 1.128 25642 8638 1 19 . 1 1 49 49 GLU N N 49 129.080 129.080 123.521 5.559 25642 8639 1 19 . 1 1 49 49 GLU C C 49 175.160 175.160 177.300 -2.140 25642 8640 1 19 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.653 -1.153 25642 8641 1 19 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.759 -2.399 25642 8642 1 19 . 1 1 49 49 GLU H H 49 8.830 8.830 8.439 0.391 25642 8643 1 19 . 1 1 50 50 GLY N N 50 114.250 114.250 114.610 -0.360 25642 8644 1 19 . 1 1 50 50 GLY C C 50 170.510 170.510 173.802 -3.292 25642 8645 1 19 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.580 -0.520 25642 8646 1 19 . 1 1 50 50 GLY H H 50 8.320 8.320 8.788 -0.468 25642 8647 1 19 . 1 1 51 51 GLY N N 51 102.740 102.740 108.461 -5.721 25642 8648 1 19 . 1 1 51 51 GLY C C 51 174.230 174.230 173.021 1.209 25642 8649 1 19 . 1 1 51 51 GLY CA C 51 44.880 44.880 44.971 -0.091 25642 8650 1 19 . 1 1 51 51 GLY H H 51 8.000 8.000 7.781 0.219 25642 8651 1 19 . 1 1 52 52 VAL N N 52 122.770 122.770 118.637 4.133 25642 8652 1 19 . 1 1 52 52 VAL C C 52 175.290 175.290 174.937 0.353 25642 8653 1 19 . 1 1 52 52 VAL CA C 52 61.170 61.170 59.508 1.662 25642 8654 1 19 . 1 1 52 52 VAL CB C 52 34.950 34.950 35.094 -0.144 25642 8655 1 19 . 1 1 52 52 VAL H H 52 8.550 8.550 7.981 0.569 25642 8656 1 19 . 1 1 53 53 THR N N 53 121.860 121.860 116.198 5.662 25642 8657 1 19 . 1 1 53 53 THR C C 53 173.790 173.790 174.578 -0.788 25642 8658 1 19 . 1 1 53 53 THR CA C 53 60.580 60.580 60.656 -0.076 25642 8659 1 19 . 1 1 53 53 THR CB C 53 72.310 72.310 69.225 3.085 25642 8660 1 19 . 1 1 53 53 THR H H 53 9.150 9.150 8.267 0.883 25642 8661 1 19 . 1 1 54 54 GLY N N 54 112.960 112.960 115.141 -2.181 25642 8662 1 19 . 1 1 54 54 GLY C C 54 172.530 172.530 173.001 -0.471 25642 8663 1 19 . 1 1 54 54 GLY CA C 54 45.870 45.870 43.946 1.924 25642 8664 1 19 . 1 1 54 54 GLY H H 54 9.080 9.080 8.618 0.462 25642 8665 1 19 . 1 1 55 55 GLU N N 55 118.200 118.200 118.033 0.167 25642 8666 1 19 . 1 1 55 55 GLU C C 55 177.350 177.350 176.055 1.295 25642 8667 1 19 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.082 0.018 25642 8668 1 19 . 1 1 55 55 GLU CB C 55 31.140 31.140 32.152 -1.012 25642 8669 1 19 . 1 1 55 55 GLU H H 55 8.790 8.790 8.256 0.534 25642 8670 1 19 . 1 1 56 56 GLY N N 56 109.740 109.740 112.504 -2.764 25642 8671 1 19 . 1 1 56 56 GLY C C 56 173.400 173.400 173.750 -0.350 25642 8672 1 19 . 1 1 56 56 GLY CA C 56 44.690 44.690 45.258 -0.568 25642 8673 1 19 . 1 1 56 56 GLY H H 56 8.580 8.580 8.379 0.201 25642 8674 1 19 . 1 1 57 57 GLU N N 57 122.180 122.180 122.976 -0.796 25642 8675 1 19 . 1 1 57 57 GLU C C 57 175.970 175.970 175.253 0.717 25642 8676 1 19 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.628 -0.528 25642 8677 1 19 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.146 0.624 25642 8678 1 19 . 1 1 57 57 GLU H H 57 8.810 8.810 8.000 0.810 25642 8679 1 19 . 1 1 58 58 LEU N N 58 126.040 126.040 127.822 -1.782 25642 8680 1 19 . 1 1 58 58 LEU C C 58 173.100 173.100 174.206 -1.106 25642 8681 1 19 . 1 1 58 58 LEU CA C 58 53.680 53.680 54.212 -0.532 25642 8682 1 19 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.930 1.510 25642 8683 1 19 . 1 1 58 58 LEU H H 58 8.720 8.720 8.355 0.365 25642 8684 1 19 . 1 1 59 59 GLN N N 59 127.940 127.940 128.007 -0.067 25642 8685 1 19 . 1 1 59 59 GLN C C 59 174.540 174.540 174.368 0.172 25642 8686 1 19 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.059 -0.219 25642 8687 1 19 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.504 0.286 25642 8688 1 19 . 1 1 59 59 GLN H H 59 8.400 8.400 8.401 -0.001 25642 8689 1 19 . 1 1 60 60 ILE N N 60 124.610 124.610 128.778 -4.168 25642 8690 1 19 . 1 1 60 60 ILE C C 60 174.340 174.340 173.903 0.437 25642 8691 1 19 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.416 1.914 25642 8692 1 19 . 1 1 60 60 ILE CB C 60 40.750 40.750 39.957 0.793 25642 8693 1 19 . 1 1 60 60 ILE H H 60 9.100 9.100 8.221 0.879 25642 8694 1 19 . 1 1 61 61 ASP N N 61 127.350 127.350 128.776 -1.426 25642 8695 1 19 . 1 1 61 61 ASP C C 61 176.210 176.210 174.941 1.269 25642 8696 1 19 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.719 1.181 25642 8697 1 19 . 1 1 61 61 ASP CB C 61 42.480 42.480 39.791 2.689 25642 8698 1 19 . 1 1 61 61 ASP H H 61 9.070 9.070 8.053 1.017 25642 8699 1 19 . 1 1 62 62 GLY N N 62 110.340 110.340 107.098 3.242 25642 8700 1 19 . 1 1 62 62 GLY C C 62 170.870 170.870 172.416 -1.546 25642 8701 1 19 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.487 1.003 25642 8702 1 19 . 1 1 62 62 GLY H H 62 6.590 6.590 7.255 -0.665 25642 8703 1 19 . 1 1 63 63 VAL N N 63 122.570 122.570 120.826 1.744 25642 8704 1 19 . 1 1 63 63 VAL C C 63 176.030 176.030 174.285 1.745 25642 8705 1 19 . 1 1 63 63 VAL CA C 63 61.010 61.010 59.938 1.072 25642 8706 1 19 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.524 1.326 25642 8707 1 19 . 1 1 63 63 VAL H H 63 8.070 8.070 7.772 0.298 25642 8708 1 19 . 1 1 64 64 VAL N N 64 125.470 125.470 129.045 -3.575 25642 8709 1 19 . 1 1 64 64 VAL C C 64 174.410 174.410 173.401 1.009 25642 8710 1 19 . 1 1 64 64 VAL CA C 64 61.220 61.220 60.013 1.207 25642 8711 1 19 . 1 1 64 64 VAL CB C 64 35.690 35.690 33.644 2.046 25642 8712 1 19 . 1 1 64 64 VAL H H 64 9.010 9.010 8.171 0.839 25642 8713 1 19 . 1 1 65 65 LYS N N 65 129.120 129.120 129.690 -0.570 25642 8714 1 19 . 1 1 65 65 LYS C C 65 175.120 175.120 175.790 -0.670 25642 8715 1 19 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.561 -0.251 25642 8716 1 19 . 1 1 65 65 LYS CB C 65 32.440 32.440 35.122 -2.682 25642 8717 1 19 . 1 1 65 65 LYS H H 65 9.150 9.150 7.989 1.161 25642 8718 1 19 . 1 1 66 66 GLY N N 66 115.020 115.020 113.662 1.358 25642 8719 1 19 . 1 1 66 66 GLY C C 66 170.210 170.210 172.548 -2.338 25642 8720 1 19 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.438 0.042 25642 8721 1 19 . 1 1 66 66 GLY H H 66 8.300 8.300 7.881 0.419 25642 8722 1 19 . 1 1 67 67 ASP N N 67 115.420 115.420 123.155 -7.735 25642 8723 1 19 . 1 1 67 67 ASP C C 67 176.920 176.920 175.460 1.460 25642 8724 1 19 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.629 -0.299 25642 8725 1 19 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.382 -0.431 25642 8726 1 19 . 1 1 67 67 ASP H H 67 7.690 7.690 8.293 -0.603 25642 8727 1 19 . 1 1 68 68 VAL N N 68 122.440 122.440 124.259 -1.819 25642 8728 1 19 . 1 1 68 68 VAL C C 68 174.450 174.450 174.471 -0.021 25642 8729 1 19 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.018 -0.048 25642 8730 1 19 . 1 1 68 68 VAL CB C 68 35.240 35.240 33.773 1.467 25642 8731 1 19 . 1 1 68 68 VAL H H 68 8.930 8.930 8.190 0.740 25642 8732 1 19 . 1 1 69 69 ARG N N 69 130.610 130.610 128.043 2.567 25642 8733 1 19 . 1 1 69 69 ARG C C 69 175.150 175.150 174.178 0.972 25642 8734 1 19 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.620 0.201 25642 8735 1 19 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.964 -0.964 25642 8736 1 19 . 1 1 69 69 ARG H H 69 9.110 9.110 8.452 0.658 25642 8737 1 19 . 1 1 70 70 VAL N N 70 114.530 114.530 123.611 -9.081 25642 8738 1 19 . 1 1 70 70 VAL C C 70 175.440 175.440 173.916 1.524 25642 8739 1 19 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.898 -2.498 25642 8740 1 19 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.890 -0.520 25642 8741 1 19 . 1 1 70 70 VAL H H 70 8.290 8.290 7.710 0.580 25642 8742 1 19 . 1 1 71 71 GLY N N 71 108.150 108.150 109.332 -1.182 25642 8743 1 19 . 1 1 71 71 GLY C C 71 174.710 174.710 173.886 0.824 25642 8744 1 19 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.631 1.269 25642 8745 1 19 . 1 1 71 71 GLY H H 71 8.110 8.110 8.441 -0.331 25642 8746 1 19 . 1 1 72 72 ARG N N 72 120.660 120.660 120.446 0.214 25642 8747 1 19 . 1 1 72 72 ARG C C 72 173.620 173.620 174.198 -0.578 25642 8748 1 19 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.755 0.565 25642 8749 1 19 . 1 1 72 72 ARG CB C 72 33.780 33.780 31.745 2.035 25642 8750 1 19 . 1 1 72 72 ARG H H 72 7.690 7.690 7.806 -0.116 25642 8751 1 19 . 1 1 73 73 LEU N N 73 125.710 125.710 128.720 -3.010 25642 8752 1 19 . 1 1 73 73 LEU C C 73 175.230 175.230 175.032 0.198 25642 8753 1 19 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.494 -0.944 25642 8754 1 19 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.338 1.192 25642 8755 1 19 . 1 1 73 73 LEU H H 73 8.570 8.570 8.432 0.138 25642 8756 1 19 . 1 1 74 74 THR N N 74 123.150 123.150 119.931 3.219 25642 8757 1 19 . 1 1 74 74 THR C C 74 173.670 173.670 173.890 -0.220 25642 8758 1 19 . 1 1 74 74 THR CA C 74 61.480 61.480 59.974 1.506 25642 8759 1 19 . 1 1 74 74 THR CB C 74 70.710 70.710 70.998 -0.288 25642 8760 1 19 . 1 1 74 74 THR H H 74 8.860 8.860 8.480 0.380 25642 8761 1 19 . 1 1 75 75 VAL N N 75 127.890 127.890 124.221 3.669 25642 8762 1 19 . 1 1 75 75 VAL C C 75 176.800 176.800 175.974 0.826 25642 8763 1 19 . 1 1 75 75 VAL CA C 75 61.130 61.130 60.186 0.944 25642 8764 1 19 . 1 1 75 75 VAL CB C 75 32.840 32.840 31.480 1.359 25642 8765 1 19 . 1 1 75 75 VAL H H 75 8.910 8.910 7.799 1.111 25642 8766 1 19 . 1 1 76 76 GLY N N 76 116.590 116.590 115.478 1.112 25642 8767 1 19 . 1 1 76 76 GLY C C 76 174.060 174.060 174.751 -0.691 25642 8768 1 19 . 1 1 76 76 GLY CA C 76 45.230 45.230 44.877 0.353 25642 8769 1 19 . 1 1 76 76 GLY H H 76 8.980 8.980 8.624 0.356 25642 8770 1 19 . 1 1 77 77 GLU N N 77 121.140 121.140 118.854 2.286 25642 8771 1 19 . 1 1 77 77 GLU C C 77 178.620 178.620 178.413 0.207 25642 8772 1 19 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.343 2.157 25642 8773 1 19 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.614 0.506 25642 8774 1 19 . 1 1 77 77 GLU H H 77 9.260 9.260 8.737 0.523 25642 8775 1 19 . 1 1 78 78 THR N N 78 105.330 105.330 112.897 -7.567 25642 8776 1 19 . 1 1 78 78 THR C C 78 174.990 174.990 175.172 -0.182 25642 8777 1 19 . 1 1 78 78 THR CA C 78 62.040 62.040 64.128 -2.088 25642 8778 1 19 . 1 1 78 78 THR CB C 78 69.880 69.880 68.557 1.323 25642 8779 1 19 . 1 1 78 78 THR H H 78 8.010 8.010 8.007 0.003 25642 8780 1 19 . 1 1 79 79 GLY N N 79 111.420 111.420 109.519 1.901 25642 8781 1 19 . 1 1 79 79 GLY C C 79 174.270 174.270 174.403 -0.133 25642 8782 1 19 . 1 1 79 79 GLY CA C 79 45.250 45.250 46.013 -0.763 25642 8783 1 19 . 1 1 79 79 GLY H H 79 8.240 8.240 7.696 0.544 25642 8784 1 19 . 1 1 80 80 HIS N N 80 123.970 123.970 118.688 5.282 25642 8785 1 19 . 1 1 80 80 HIS C C 80 173.800 173.800 173.638 0.162 25642 8786 1 19 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.890 -0.030 25642 8787 1 19 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.582 3.488 25642 8788 1 19 . 1 1 80 80 HIS H H 80 8.860 8.860 7.557 1.303 25642 8789 1 19 . 1 1 81 81 VAL N N 81 125.720 125.720 125.509 0.211 25642 8790 1 19 . 1 1 81 81 VAL C C 81 174.580 174.580 173.875 0.705 25642 8791 1 19 . 1 1 81 81 VAL CA C 81 60.660 60.660 61.778 -1.118 25642 8792 1 19 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.246 0.614 25642 8793 1 19 . 1 1 81 81 VAL H H 81 8.900 8.900 8.182 0.718 25642 8794 1 19 . 1 1 82 82 GLU N N 82 129.500 129.500 126.726 2.774 25642 8795 1 19 . 1 1 82 82 GLU C C 82 175.200 175.200 175.598 -0.398 25642 8796 1 19 . 1 1 82 82 GLU CA C 82 53.900 53.900 55.053 -1.153 25642 8797 1 19 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.374 -1.504 25642 8798 1 19 . 1 1 82 82 GLU H H 82 9.270 9.270 8.410 0.860 25642 8799 1 19 . 1 1 83 83 GLY N N 83 114.070 114.070 112.144 1.926 25642 8800 1 19 . 1 1 83 83 GLY C C 83 171.310 171.310 172.096 -0.786 25642 8801 1 19 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.335 -0.385 25642 8802 1 19 . 1 1 83 83 GLY H H 83 8.450 8.450 8.009 0.441 25642 8803 1 19 . 1 1 84 84 SER N N 84 113.810 113.810 117.342 -3.532 25642 8804 1 19 . 1 1 84 84 SER C C 84 173.140 173.140 173.755 -0.615 25642 8805 1 19 . 1 1 84 84 SER CA C 84 57.720 57.720 56.787 0.933 25642 8806 1 19 . 1 1 84 84 SER CB C 84 64.950 64.950 63.837 1.113 25642 8807 1 19 . 1 1 84 84 SER H H 84 8.320 8.320 8.062 0.258 25642 8808 1 19 . 1 1 85 85 VAL N N 85 121.060 121.060 128.810 -7.750 25642 8809 1 19 . 1 1 85 85 VAL C C 85 174.960 174.960 173.991 0.969 25642 8810 1 19 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.795 -1.375 25642 8811 1 19 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.470 2.430 25642 8812 1 19 . 1 1 85 85 VAL H H 85 8.730 8.730 8.132 0.598 25642 8813 1 19 . 1 1 86 86 TYR N N 86 129.090 129.090 127.708 1.382 25642 8814 1 19 . 1 1 86 86 TYR C C 86 174.420 174.420 174.539 -0.119 25642 8815 1 19 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.352 0.107 25642 8816 1 19 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.333 0.517 25642 8817 1 19 . 1 1 86 86 TYR H H 86 9.580 9.580 8.745 0.835 25642 8818 1 19 . 1 1 87 87 ALA N N 87 122.670 122.670 125.818 -3.148 25642 8819 1 19 . 1 1 87 87 ALA C C 87 177.320 177.320 175.862 1.458 25642 8820 1 19 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.047 0.213 25642 8821 1 19 . 1 1 87 87 ALA CB C 87 22.450 22.450 22.008 0.442 25642 8822 1 19 . 1 1 87 87 ALA H H 87 8.080 8.080 8.346 -0.266 25642 8823 1 19 . 1 1 88 88 GLU N N 88 120.180 120.180 118.699 1.481 25642 8824 1 19 . 1 1 88 88 GLU C C 88 177.310 177.310 176.583 0.727 25642 8825 1 19 . 1 1 88 88 GLU CA C 88 59.190 59.190 57.796 1.394 25642 8826 1 19 . 1 1 88 88 GLU CB C 88 29.650 29.650 30.764 -1.114 25642 8827 1 19 . 1 1 88 88 GLU H H 88 8.640 8.640 8.302 0.338 25642 8828 1 19 . 1 1 89 89 ALA N N 89 118.770 118.770 118.911 -0.141 25642 8829 1 19 . 1 1 89 89 ALA C C 89 175.890 175.890 175.078 0.812 25642 8830 1 19 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.659 0.851 25642 8831 1 19 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.783 -0.513 25642 8832 1 19 . 1 1 89 89 ALA H H 89 7.340 7.340 7.632 -0.292 25642 8833 1 19 . 1 1 90 90 VAL N N 90 119.720 119.720 116.237 3.483 25642 8834 1 19 . 1 1 90 90 VAL C C 90 174.710 174.710 174.162 0.548 25642 8835 1 19 . 1 1 90 90 VAL CA C 90 60.520 60.520 61.088 -0.568 25642 8836 1 19 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.202 0.788 25642 8837 1 19 . 1 1 90 90 VAL H H 90 8.490 8.490 7.920 0.570 25642 8838 1 19 . 1 1 91 91 GLU N N 91 128.200 128.200 126.524 1.676 25642 8839 1 19 . 1 1 91 91 GLU C C 91 175.470 175.470 175.871 -0.401 25642 8840 1 19 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.774 0.016 25642 8841 1 19 . 1 1 91 91 GLU CB C 91 32.680 32.680 32.081 0.599 25642 8842 1 19 . 1 1 91 91 GLU H H 91 9.070 9.070 8.235 0.835 25642 8843 1 19 . 1 1 92 92 VAL N N 92 122.080 122.080 125.269 -3.189 25642 8844 1 19 . 1 1 92 92 VAL C C 92 174.490 174.490 175.450 -0.960 25642 8845 1 19 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.545 0.115 25642 8846 1 19 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.428 0.662 25642 8847 1 19 . 1 1 92 92 VAL H H 92 9.450 9.450 8.503 0.947 25642 8848 1 19 . 1 1 93 93 ARG N N 93 123.900 123.900 122.435 1.465 25642 8849 1 19 . 1 1 93 93 ARG C C 93 176.280 176.280 175.235 1.045 25642 8850 1 19 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.262 1.028 25642 8851 1 19 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.868 -0.978 25642 8852 1 19 . 1 1 93 93 ARG H H 93 9.200 9.200 8.194 1.006 25642 8853 1 19 . 1 1 94 94 GLY N N 94 111.100 111.100 106.340 4.760 25642 8854 1 19 . 1 1 94 94 GLY C C 94 170.710 170.710 172.255 -1.545 25642 8855 1 19 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.048 0.742 25642 8856 1 19 . 1 1 94 94 GLY H H 94 6.250 6.250 8.004 -1.754 25642 8857 1 19 . 1 1 95 95 ARG N N 95 126.190 126.190 119.410 6.780 25642 8858 1 19 . 1 1 95 95 ARG C C 95 175.570 175.570 174.402 1.168 25642 8859 1 19 . 1 1 95 95 ARG CA C 95 54.670 54.670 56.025 -1.355 25642 8860 1 19 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.627 1.293 25642 8861 1 19 . 1 1 95 95 ARG H H 95 8.140 8.140 7.861 0.279 25642 8862 1 19 . 1 1 96 96 VAL N N 96 124.800 124.800 123.397 1.403 25642 8863 1 19 . 1 1 96 96 VAL C C 96 174.070 174.070 173.270 0.800 25642 8864 1 19 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.572 0.588 25642 8865 1 19 . 1 1 96 96 VAL CB C 96 35.860 35.860 36.067 -0.207 25642 8866 1 19 . 1 1 96 96 VAL H H 96 9.430 9.430 8.940 0.490 25642 8867 1 19 . 1 1 97 97 VAL N N 97 128.010 128.010 128.727 -0.717 25642 8868 1 19 . 1 1 97 97 VAL C C 97 176.430 176.430 173.950 2.480 25642 8869 1 19 . 1 1 97 97 VAL CA C 97 61.080 61.080 60.265 0.815 25642 8870 1 19 . 1 1 97 97 VAL CB C 97 33.630 33.630 34.079 -0.449 25642 8871 1 19 . 1 1 97 97 VAL H H 97 9.260 9.260 8.798 0.462 25642 8872 1 19 . 1 1 98 98 GLY N N 98 116.340 116.340 116.961 -0.621 25642 8873 1 19 . 1 1 98 98 GLY C C 98 171.770 171.770 172.039 -0.269 25642 8874 1 19 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.199 -0.309 25642 8875 1 19 . 1 1 98 98 GLY H H 98 8.600 8.600 8.254 0.346 25642 8876 1 19 . 1 1 99 99 ALA N N 99 124.110 124.110 123.133 0.977 25642 8877 1 19 . 1 1 99 99 ALA C C 99 176.060 176.060 174.704 1.356 25642 8878 1 19 . 1 1 99 99 ALA CA C 99 51.690 51.690 52.232 -0.542 25642 8879 1 19 . 1 1 99 99 ALA CB C 99 21.700 21.700 21.672 0.028 25642 8880 1 19 . 1 1 99 99 ALA H H 99 8.110 8.110 7.581 0.529 25642 8881 1 19 . 1 1 100 100 ILE N N 100 119.340 119.340 116.271 3.069 25642 8882 1 19 . 1 1 100 100 ILE C C 100 174.770 174.770 173.514 1.256 25642 8883 1 19 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.858 0.762 25642 8884 1 19 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.815 0.505 25642 8885 1 19 . 1 1 100 100 ILE H H 100 8.910 8.910 8.098 0.812 25642 8886 1 19 . 1 1 101 101 THR N N 101 127.010 127.010 121.290 5.720 25642 8887 1 19 . 1 1 101 101 THR C C 101 173.980 173.980 173.380 0.600 25642 8888 1 19 . 1 1 101 101 THR CA C 101 61.620 61.620 61.160 0.460 25642 8889 1 19 . 1 1 101 101 THR CB C 101 69.700 69.700 70.572 -0.872 25642 8890 1 19 . 1 1 101 101 THR H H 101 8.950 8.950 8.743 0.207 25642 8891 1 19 . 1 1 102 102 SER N N 102 119.870 119.870 120.932 -1.062 25642 8892 1 19 . 1 1 102 102 SER C C 102 174.000 174.000 173.850 0.150 25642 8893 1 19 . 1 1 102 102 SER CA C 102 56.190 56.190 56.676 -0.486 25642 8894 1 19 . 1 1 102 102 SER CB C 102 64.710 64.710 66.215 -1.505 25642 8895 1 19 . 1 1 102 102 SER H H 102 8.800 8.800 8.405 0.395 25642 8896 1 19 . 1 1 103 103 LYS N N 103 124.650 124.650 120.935 3.715 25642 8897 1 19 . 1 1 103 103 LYS C C 103 177.200 177.200 176.954 0.246 25642 8898 1 19 . 1 1 103 103 LYS CA C 103 61.300 61.300 59.147 2.153 25642 8899 1 19 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.110 -0.600 25642 8900 1 19 . 1 1 103 103 LYS H H 103 7.560 7.560 8.482 -0.922 25642 8901 1 19 . 1 1 104 104 GLN N N 104 115.370 115.370 116.101 -0.731 25642 8902 1 19 . 1 1 104 104 GLN C C 104 174.650 174.650 174.375 0.275 25642 8903 1 19 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.827 0.033 25642 8904 1 19 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.301 -0.421 25642 8905 1 19 . 1 1 104 104 GLN H H 104 7.650 7.650 7.680 -0.030 25642 8906 1 19 . 1 1 105 105 VAL N N 105 125.510 125.510 122.512 2.998 25642 8907 1 19 . 1 1 105 105 VAL C C 105 174.530 174.530 174.430 0.100 25642 8908 1 19 . 1 1 105 105 VAL CA C 105 60.920 60.920 61.331 -0.412 25642 8909 1 19 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.302 -0.302 25642 8910 1 19 . 1 1 105 105 VAL H H 105 8.670 8.670 8.103 0.567 25642 8911 1 19 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.524 0.526 25642 8912 1 19 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.978 0.762 25642 8913 1 19 . 1 1 106 106 ARG H H 106 8.560 8.560 8.591 -0.031 25642 8914 1 19 . 1 1 107 107 LEU N N 107 125.820 125.820 126.203 -0.383 25642 8915 1 19 . 1 1 107 107 LEU C C 107 176.190 176.190 175.005 1.185 25642 8916 1 19 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.192 -0.622 25642 8917 1 19 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.601 0.529 25642 8918 1 19 . 1 1 107 107 LEU H H 107 8.730 8.730 8.193 0.537 25642 8919 1 19 . 1 1 108 108 TYR N N 108 120.870 120.870 123.113 -2.243 25642 8920 1 19 . 1 1 108 108 TYR C C 108 178.880 178.880 177.170 1.710 25642 8921 1 19 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.378 1.152 25642 8922 1 19 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.327 -0.547 25642 8923 1 19 . 1 1 108 108 TYR H H 108 8.280 8.280 7.648 0.632 25642 8924 1 19 . 1 1 109 109 GLY N N 109 112.380 112.380 109.412 2.968 25642 8925 1 19 . 1 1 109 109 GLY C C 109 172.330 172.330 175.352 -3.022 25642 8926 1 19 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.433 1.847 25642 8927 1 19 . 1 1 109 109 GLY H H 109 10.080 10.080 8.810 1.270 25642 8928 1 19 . 1 1 110 110 THR N N 110 103.280 103.280 114.574 -11.294 25642 8929 1 19 . 1 1 110 110 THR C C 110 175.370 175.370 174.818 0.552 25642 8930 1 19 . 1 1 110 110 THR CA C 110 61.220 61.220 61.334 -0.114 25642 8931 1 19 . 1 1 110 110 THR CB C 110 70.160 70.160 67.828 2.332 25642 8932 1 19 . 1 1 110 110 THR H H 110 6.910 6.910 8.511 -1.601 25642 8933 1 19 . 1 1 111 111 SER N N 111 118.040 118.040 118.237 -0.197 25642 8934 1 19 . 1 1 111 111 SER C C 111 174.740 174.740 173.398 1.342 25642 8935 1 19 . 1 1 111 111 SER CA C 111 59.070 59.070 59.925 -0.855 25642 8936 1 19 . 1 1 111 111 SER CB C 111 67.870 67.870 64.314 3.555 25642 8937 1 19 . 1 1 111 111 SER H H 111 7.960 7.960 7.910 0.050 25642 8938 1 19 . 1 1 112 112 TYR N N 112 124.220 124.220 129.028 -4.808 25642 8939 1 19 . 1 1 112 112 TYR C C 112 174.090 174.090 173.448 0.642 25642 8940 1 19 . 1 1 112 112 TYR CA C 112 57.410 57.410 56.407 1.002 25642 8941 1 19 . 1 1 112 112 TYR CB C 112 41.690 41.690 41.579 0.111 25642 8942 1 19 . 1 1 112 112 TYR H H 112 8.720 8.720 8.191 0.529 25642 8943 1 19 . 1 1 113 113 VAL N N 113 129.090 129.090 128.782 0.308 25642 8944 1 19 . 1 1 113 113 VAL C C 113 173.870 173.870 173.878 -0.008 25642 8945 1 19 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.334 0.706 25642 8946 1 19 . 1 1 113 113 VAL CB C 113 34.930 34.930 33.754 1.176 25642 8947 1 19 . 1 1 113 113 VAL H H 113 9.640 9.640 7.698 1.942 25642 8948 1 19 . 1 1 114 114 ASP N N 114 127.460 127.460 125.516 1.944 25642 8949 1 19 . 1 1 114 114 ASP C C 114 176.250 176.250 175.360 0.890 25642 8950 1 19 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.313 -0.843 25642 8951 1 19 . 1 1 114 114 ASP CB C 114 43.220 43.220 42.777 0.443 25642 8952 1 19 . 1 1 114 114 ASP H H 114 8.630 8.630 7.730 0.900 25642 8953 1 19 . 1 1 115 115 GLY N N 115 113.040 113.040 111.917 1.123 25642 8954 1 19 . 1 1 115 115 GLY C C 115 171.140 171.140 172.359 -1.219 25642 8955 1 19 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.029 0.121 25642 8956 1 19 . 1 1 115 115 GLY H H 115 8.880 8.880 7.921 0.959 25642 8957 1 19 . 1 1 116 116 ASP N N 116 117.450 117.450 123.185 -5.735 25642 8958 1 19 . 1 1 116 116 ASP C C 116 176.850 176.850 175.069 1.781 25642 8959 1 19 . 1 1 116 116 ASP CA C 116 53.360 53.360 52.932 0.428 25642 8960 1 19 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.153 0.217 25642 8961 1 19 . 1 1 116 116 ASP H H 116 7.390 7.390 7.917 -0.527 25642 8962 1 19 . 1 1 117 117 ILE N N 117 121.440 121.440 124.979 -3.539 25642 8963 1 19 . 1 1 117 117 ILE C C 117 176.780 176.780 174.562 2.218 25642 8964 1 19 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.499 1.221 25642 8965 1 19 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.748 -2.118 25642 8966 1 19 . 1 1 117 117 ILE H H 117 9.200 9.200 7.953 1.247 25642 8967 1 19 . 1 1 118 118 THR N N 118 131.550 131.550 123.885 7.665 25642 8968 1 19 . 1 1 118 118 THR C C 118 173.630 173.630 172.756 0.874 25642 8969 1 19 . 1 1 118 118 THR CA C 118 62.110 62.110 61.502 0.608 25642 8970 1 19 . 1 1 118 118 THR CB C 118 67.860 67.860 70.726 -2.866 25642 8971 1 19 . 1 1 118 118 THR H H 118 9.560 9.560 8.146 1.414 25642 8972 1 19 . 1 1 119 119 HIS N N 119 121.300 121.300 122.036 -0.736 25642 8973 1 19 . 1 1 119 119 HIS C C 119 174.780 174.780 173.611 1.169 25642 8974 1 19 . 1 1 119 119 HIS CA C 119 55.850 55.850 54.326 1.524 25642 8975 1 19 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.193 0.357 25642 8976 1 19 . 1 1 119 119 HIS H H 119 8.290 8.290 8.364 -0.074 25642 8977 1 19 . 1 1 120 120 GLU N N 120 118.130 118.130 118.680 -0.550 25642 8978 1 19 . 1 1 120 120 GLU C C 120 177.120 177.120 176.750 0.370 25642 8979 1 19 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.353 1.427 25642 8980 1 19 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.513 -0.213 25642 8981 1 19 . 1 1 120 120 GLU H H 120 7.710 7.710 8.622 -0.912 25642 8982 1 19 . 1 1 121 121 GLN N N 121 117.670 117.670 117.927 -0.257 25642 8983 1 19 . 1 1 121 121 GLN C C 121 172.760 172.760 174.156 -1.396 25642 8984 1 19 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.694 1.186 25642 8985 1 19 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.324 1.256 25642 8986 1 19 . 1 1 121 121 GLN H H 121 8.950 8.950 8.143 0.807 25642 8987 1 19 . 1 1 122 122 LEU N N 122 126.250 126.250 117.931 8.319 25642 8988 1 19 . 1 1 122 122 LEU C C 122 173.300 173.300 175.341 -2.041 25642 8989 1 19 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.228 0.591 25642 8990 1 19 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.385 0.066 25642 8991 1 19 . 1 1 122 122 LEU H H 122 8.660 8.660 8.267 0.393 25642 8992 1 19 . 1 1 123 123 ALA N N 123 126.670 126.670 125.762 0.908 25642 8993 1 19 . 1 1 123 123 ALA C C 123 175.940 175.940 175.706 0.234 25642 8994 1 19 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.814 -2.244 25642 8995 1 19 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.556 0.794 25642 8996 1 19 . 1 1 123 123 ALA H H 123 8.090 8.090 8.490 -0.400 25642 8997 1 19 . 1 1 124 124 MET N N 124 119.800 119.800 121.263 -1.463 25642 8998 1 19 . 1 1 124 124 MET C C 124 174.960 174.960 175.661 -0.701 25642 8999 1 19 . 1 1 124 124 MET CA C 124 54.770 54.770 52.779 1.992 25642 9000 1 19 . 1 1 124 124 MET CB C 124 37.620 37.620 32.921 4.699 25642 9001 1 19 . 1 1 124 124 MET H H 124 8.810 8.810 8.482 0.328 25642 9002 1 19 . 1 1 125 125 GLU N N 125 125.500 125.500 123.523 1.977 25642 9003 1 19 . 1 1 125 125 GLU C C 125 175.410 175.410 175.896 -0.486 25642 9004 1 19 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.365 0.305 25642 9005 1 19 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.983 -0.473 25642 9006 1 19 . 1 1 125 125 GLU H H 125 8.760 8.760 8.265 0.495 25642 9007 1 19 . 1 1 126 126 THR N N 126 118.440 118.440 116.264 2.176 25642 9008 1 19 . 1 1 126 126 THR C C 126 174.300 174.300 175.360 -1.060 25642 9009 1 19 . 1 1 126 126 THR CA C 126 65.870 65.870 65.070 0.800 25642 9010 1 19 . 1 1 126 126 THR CB C 126 69.050 69.050 69.151 -0.101 25642 9011 1 19 . 1 1 127 127 GLY N N 127 116.970 116.970 110.199 6.771 25642 9012 1 19 . 1 1 127 127 GLY C C 127 175.320 175.320 172.305 3.015 25642 9013 1 19 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.996 0.004 25642 9014 1 19 . 1 1 128 128 ALA N N 128 124.190 124.190 123.582 0.608 25642 9015 1 19 . 1 1 128 128 ALA C C 128 177.670 177.670 176.011 1.659 25642 9016 1 19 . 1 1 128 128 ALA CA C 128 53.640 53.640 50.964 2.676 25642 9017 1 19 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.748 0.001 25642 9018 1 19 . 1 1 128 128 ALA H H 128 7.930 7.930 7.127 0.803 25642 9019 1 19 . 1 1 129 129 PHE N N 129 127.300 127.300 124.271 3.029 25642 9020 1 19 . 1 1 129 129 PHE C C 129 173.400 173.400 173.774 -0.374 25642 9021 1 19 . 1 1 129 129 PHE CA C 129 56.890 56.890 55.884 1.006 25642 9022 1 19 . 1 1 129 129 PHE CB C 129 40.520 40.520 40.150 0.370 25642 9023 1 19 . 1 1 129 129 PHE H H 129 8.550 8.550 8.926 -0.376 25642 9024 1 19 . 1 1 130 130 PHE N N 130 131.220 131.220 120.679 10.541 25642 9025 1 19 . 1 1 130 130 PHE C C 130 173.550 173.550 175.157 -1.607 25642 9026 1 19 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.998 -2.628 25642 9027 1 19 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.835 -0.375 25642 9028 1 19 . 1 1 130 130 PHE H H 130 8.860 8.860 7.750 1.110 25642 9029 1 19 . 1 1 131 131 GLN N N 131 130.230 130.230 124.064 6.166 25642 9030 1 19 . 1 1 131 131 GLN C C 131 173.350 173.350 175.148 -1.798 25642 9031 1 19 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.581 -1.161 25642 9032 1 19 . 1 1 131 131 GLN CB C 131 33.000 33.000 29.225 3.775 25642 9033 1 19 . 1 1 131 131 GLN H H 131 8.840 8.840 8.374 0.466 25642 9034 1 19 . 1 1 132 132 GLY N N 132 112.460 112.460 108.123 4.337 25642 9035 1 19 . 1 1 132 132 GLY C C 132 172.750 172.750 172.737 0.013 25642 9036 1 19 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.171 -0.701 25642 9037 1 19 . 1 1 133 133 ARG N N 133 119.950 119.950 120.375 -0.425 25642 9038 1 19 . 1 1 133 133 ARG C C 133 173.910 173.910 175.248 -1.338 25642 9039 1 19 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.890 -0.020 25642 9040 1 19 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.977 1.213 25642 9041 1 19 . 1 1 133 133 ARG H H 133 8.470 8.470 8.121 0.349 25642 9042 1 19 . 1 1 134 134 SER N N 134 119.120 119.120 120.376 -1.256 25642 9043 1 19 . 1 1 134 134 SER C C 134 174.260 174.260 174.313 -0.053 25642 9044 1 19 . 1 1 134 134 SER CA C 134 57.140 57.140 57.725 -0.585 25642 9045 1 19 . 1 1 134 134 SER CB C 134 63.450 63.450 63.718 -0.268 25642 9046 1 19 . 1 1 134 134 SER H H 134 8.680 8.680 8.631 0.049 25642 9047 1 19 . 1 1 135 135 LEU N N 135 127.740 127.740 130.272 -2.532 25642 9048 1 19 . 1 1 135 135 LEU C C 135 174.990 174.990 176.406 -1.416 25642 9049 1 19 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.051 -0.831 25642 9050 1 19 . 1 1 135 135 LEU CB C 135 45.180 45.180 41.898 3.281 25642 9051 1 19 . 1 1 135 135 LEU H H 135 8.560 8.560 8.335 0.225 25642 9052 1 19 . 1 1 136 136 LYS N N 136 118.190 118.190 123.371 -5.181 25642 9053 1 19 . 1 1 136 136 LYS C C 136 178.030 178.030 176.981 1.049 25642 9054 1 19 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.611 -2.551 25642 9055 1 19 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.900 -0.890 25642 9056 1 19 . 1 1 136 136 LYS H H 136 8.180 8.180 8.474 -0.294 25642 9057 1 19 . 1 1 137 137 PHE N N 137 121.570 121.570 121.405 0.165 25642 9058 1 19 . 1 1 137 137 PHE C C 137 176.370 176.370 175.608 0.762 25642 9059 1 19 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.494 0.446 25642 9060 1 19 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.056 0.674 25642 9061 1 19 . 1 1 137 137 PHE H H 137 7.800 7.800 8.668 -0.868 25642 9062 1 19 . 1 1 138 138 GLN N N 138 123.070 123.070 125.406 -2.336 25642 9063 1 19 . 1 1 138 138 GLN H H 138 8.560 8.560 8.699 -0.139 25642 9064 1 20 . 1 1 38 38 VAL C C 38 175.900 175.900 175.736 0.164 25642 9065 1 20 . 1 1 39 39 ALA N N 39 130.020 130.020 122.444 7.576 25642 9066 1 20 . 1 1 39 39 ALA C C 39 177.440 177.440 177.373 0.067 25642 9067 1 20 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.050 1.330 25642 9068 1 20 . 1 1 39 39 ALA CB C 39 19.820 19.820 17.763 2.057 25642 9069 1 20 . 1 1 39 39 ALA H H 39 8.200 8.200 7.607 0.593 25642 9070 1 20 . 1 1 40 40 SER N N 40 115.080 115.080 117.403 -2.323 25642 9071 1 20 . 1 1 40 40 SER C C 40 173.460 173.460 173.451 0.009 25642 9072 1 20 . 1 1 40 40 SER CA C 40 60.040 60.040 58.702 1.338 25642 9073 1 20 . 1 1 40 40 SER CB C 40 66.420 66.420 64.804 1.616 25642 9074 1 20 . 1 1 40 40 SER H H 40 7.970 7.970 8.040 -0.070 25642 9075 1 20 . 1 1 41 41 LEU N N 41 127.860 127.860 125.850 2.010 25642 9076 1 20 . 1 1 41 41 LEU C C 41 174.130 174.130 175.424 -1.294 25642 9077 1 20 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.593 0.067 25642 9078 1 20 . 1 1 41 41 LEU CB C 41 46.300 46.300 44.799 1.501 25642 9079 1 20 . 1 1 41 41 LEU H H 41 9.490 9.490 8.397 1.093 25642 9080 1 20 . 1 1 42 42 LEU N N 42 126.730 126.730 128.429 -1.699 25642 9081 1 20 . 1 1 42 42 LEU C C 42 175.120 175.120 176.371 -1.251 25642 9082 1 20 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.553 -0.843 25642 9083 1 20 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.182 -1.722 25642 9084 1 20 . 1 1 42 42 LEU H H 42 8.640 8.640 8.382 0.258 25642 9085 1 20 . 1 1 43 43 SER N N 43 123.530 123.530 121.290 2.240 25642 9086 1 20 . 1 1 43 43 SER C C 43 172.810 172.810 174.845 -2.035 25642 9087 1 20 . 1 1 43 43 SER CA C 43 58.990 58.990 59.408 -0.418 25642 9088 1 20 . 1 1 43 43 SER CB C 43 64.200 64.200 63.959 0.241 25642 9089 1 20 . 1 1 43 43 SER H H 43 9.060 9.060 8.661 0.399 25642 9090 1 20 . 1 1 44 44 ALA N N 44 119.250 119.250 121.461 -2.211 25642 9091 1 20 . 1 1 44 44 ALA C C 44 177.720 177.720 178.769 -1.049 25642 9092 1 20 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.744 0.256 25642 9093 1 20 . 1 1 44 44 ALA CB C 44 18.730 18.730 18.911 -0.181 25642 9094 1 20 . 1 1 44 44 ALA H H 44 8.490 8.490 8.449 0.041 25642 9095 1 20 . 1 1 45 45 ASP N N 45 114.450 114.450 117.236 -2.786 25642 9096 1 20 . 1 1 45 45 ASP C C 45 175.800 175.800 175.202 0.598 25642 9097 1 20 . 1 1 45 45 ASP CA C 45 53.980 53.980 53.809 0.170 25642 9098 1 20 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.051 2.629 25642 9099 1 20 . 1 1 45 45 ASP H H 45 8.080 8.080 8.727 -0.647 25642 9100 1 20 . 1 1 46 46 LEU N N 46 122.200 122.200 120.473 1.727 25642 9101 1 20 . 1 1 46 46 LEU C C 46 176.290 176.290 174.806 1.484 25642 9102 1 20 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.558 0.062 25642 9103 1 20 . 1 1 46 46 LEU CB C 46 45.960 45.960 45.581 0.379 25642 9104 1 20 . 1 1 46 46 LEU H H 46 7.860 7.860 7.613 0.247 25642 9105 1 20 . 1 1 47 47 THR N N 47 119.850 119.850 117.800 2.050 25642 9106 1 20 . 1 1 47 47 THR C C 47 174.140 174.140 173.836 0.304 25642 9107 1 20 . 1 1 47 47 THR CA C 47 61.650 61.650 59.637 2.013 25642 9108 1 20 . 1 1 47 47 THR CB C 47 71.210 71.210 70.840 0.370 25642 9109 1 20 . 1 1 47 47 THR H H 47 9.000 9.000 8.250 0.750 25642 9110 1 20 . 1 1 48 48 ILE N N 48 128.090 128.090 126.625 1.465 25642 9111 1 20 . 1 1 48 48 ILE C C 48 174.810 174.810 175.464 -0.654 25642 9112 1 20 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.687 -0.537 25642 9113 1 20 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.292 1.818 25642 9114 1 20 . 1 1 48 48 ILE H H 48 9.330 9.330 8.292 1.038 25642 9115 1 20 . 1 1 49 49 GLU N N 49 129.080 129.080 124.117 4.963 25642 9116 1 20 . 1 1 49 49 GLU C C 49 175.160 175.160 177.207 -2.047 25642 9117 1 20 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.245 -0.745 25642 9118 1 20 . 1 1 49 49 GLU CB C 49 30.360 30.360 33.145 -2.785 25642 9119 1 20 . 1 1 49 49 GLU H H 49 8.830 8.830 8.351 0.479 25642 9120 1 20 . 1 1 50 50 GLY N N 50 114.250 114.250 114.270 -0.020 25642 9121 1 20 . 1 1 50 50 GLY C C 50 170.510 170.510 173.099 -2.589 25642 9122 1 20 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.407 -0.347 25642 9123 1 20 . 1 1 50 50 GLY H H 50 8.320 8.320 8.375 -0.055 25642 9124 1 20 . 1 1 51 51 GLY N N 51 102.740 102.740 109.410 -6.670 25642 9125 1 20 . 1 1 51 51 GLY C C 51 174.230 174.230 173.445 0.785 25642 9126 1 20 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.224 -0.344 25642 9127 1 20 . 1 1 51 51 GLY H H 51 8.000 8.000 7.957 0.043 25642 9128 1 20 . 1 1 52 52 VAL N N 52 122.770 122.770 119.905 2.865 25642 9129 1 20 . 1 1 52 52 VAL C C 52 175.290 175.290 174.592 0.698 25642 9130 1 20 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.198 0.972 25642 9131 1 20 . 1 1 52 52 VAL CB C 52 34.950 34.950 33.976 0.974 25642 9132 1 20 . 1 1 52 52 VAL H H 52 8.550 8.550 8.012 0.538 25642 9133 1 20 . 1 1 53 53 THR N N 53 121.860 121.860 118.315 3.545 25642 9134 1 20 . 1 1 53 53 THR C C 53 173.790 173.790 174.051 -0.261 25642 9135 1 20 . 1 1 53 53 THR CA C 53 60.580 60.580 60.631 -0.051 25642 9136 1 20 . 1 1 53 53 THR CB C 53 72.310 72.310 70.406 1.904 25642 9137 1 20 . 1 1 53 53 THR H H 53 9.150 9.150 8.219 0.931 25642 9138 1 20 . 1 1 54 54 GLY N N 54 112.960 112.960 115.645 -2.685 25642 9139 1 20 . 1 1 54 54 GLY C C 54 172.530 172.530 173.182 -0.652 25642 9140 1 20 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.894 -0.024 25642 9141 1 20 . 1 1 54 54 GLY H H 54 9.080 9.080 8.171 0.909 25642 9142 1 20 . 1 1 55 55 GLU N N 55 118.200 118.200 125.064 -6.864 25642 9143 1 20 . 1 1 55 55 GLU C C 55 177.350 177.350 176.615 0.735 25642 9144 1 20 . 1 1 55 55 GLU CA C 55 56.100 56.100 57.535 -1.435 25642 9145 1 20 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.278 0.862 25642 9146 1 20 . 1 1 55 55 GLU H H 55 8.790 8.790 8.416 0.374 25642 9147 1 20 . 1 1 56 56 GLY N N 56 109.740 109.740 111.904 -2.164 25642 9148 1 20 . 1 1 56 56 GLY C C 56 173.400 173.400 172.704 0.696 25642 9149 1 20 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.556 0.134 25642 9150 1 20 . 1 1 56 56 GLY H H 56 8.580 8.580 8.430 0.150 25642 9151 1 20 . 1 1 57 57 GLU N N 57 122.180 122.180 121.857 0.323 25642 9152 1 20 . 1 1 57 57 GLU C C 57 175.970 175.970 174.575 1.395 25642 9153 1 20 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.550 -0.450 25642 9154 1 20 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.347 0.423 25642 9155 1 20 . 1 1 57 57 GLU H H 57 8.810 8.810 8.245 0.565 25642 9156 1 20 . 1 1 58 58 LEU N N 58 126.040 126.040 128.598 -2.558 25642 9157 1 20 . 1 1 58 58 LEU C C 58 173.100 173.100 174.189 -1.089 25642 9158 1 20 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.690 -0.010 25642 9159 1 20 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.135 2.305 25642 9160 1 20 . 1 1 58 58 LEU H H 58 8.720 8.720 8.362 0.358 25642 9161 1 20 . 1 1 59 59 GLN N N 59 127.940 127.940 128.430 -0.490 25642 9162 1 20 . 1 1 59 59 GLN C C 59 174.540 174.540 174.308 0.232 25642 9163 1 20 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.188 -0.348 25642 9164 1 20 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.232 0.558 25642 9165 1 20 . 1 1 59 59 GLN H H 59 8.400 8.400 8.168 0.232 25642 9166 1 20 . 1 1 60 60 ILE N N 60 124.610 124.610 126.714 -2.104 25642 9167 1 20 . 1 1 60 60 ILE C C 60 174.340 174.340 173.176 1.164 25642 9168 1 20 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.510 1.820 25642 9169 1 20 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.215 -0.466 25642 9170 1 20 . 1 1 60 60 ILE H H 60 9.100 9.100 8.078 1.022 25642 9171 1 20 . 1 1 61 61 ASP N N 61 127.350 127.350 127.289 0.061 25642 9172 1 20 . 1 1 61 61 ASP C C 61 176.210 176.210 174.521 1.689 25642 9173 1 20 . 1 1 61 61 ASP CA C 61 53.900 53.900 52.811 1.089 25642 9174 1 20 . 1 1 61 61 ASP CB C 61 42.480 42.480 41.668 0.812 25642 9175 1 20 . 1 1 61 61 ASP H H 61 9.070 9.070 8.177 0.893 25642 9176 1 20 . 1 1 62 62 GLY N N 62 110.340 110.340 106.899 3.441 25642 9177 1 20 . 1 1 62 62 GLY C C 62 170.870 170.870 171.928 -1.058 25642 9178 1 20 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.089 1.401 25642 9179 1 20 . 1 1 62 62 GLY H H 62 6.590 6.590 7.603 -1.013 25642 9180 1 20 . 1 1 63 63 VAL N N 63 122.570 122.570 118.859 3.711 25642 9181 1 20 . 1 1 63 63 VAL C C 63 176.030 176.030 174.563 1.467 25642 9182 1 20 . 1 1 63 63 VAL CA C 63 61.010 61.010 59.733 1.277 25642 9183 1 20 . 1 1 63 63 VAL CB C 63 34.850 34.850 34.119 0.731 25642 9184 1 20 . 1 1 63 63 VAL H H 63 8.070 8.070 7.741 0.329 25642 9185 1 20 . 1 1 64 64 VAL N N 64 125.470 125.470 127.993 -2.523 25642 9186 1 20 . 1 1 64 64 VAL C C 64 174.410 174.410 174.349 0.061 25642 9187 1 20 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.065 0.156 25642 9188 1 20 . 1 1 64 64 VAL CB C 64 35.690 35.690 33.745 1.945 25642 9189 1 20 . 1 1 64 64 VAL H H 64 9.010 9.010 8.010 1.000 25642 9190 1 20 . 1 1 65 65 LYS N N 65 129.120 129.120 127.759 1.361 25642 9191 1 20 . 1 1 65 65 LYS C C 65 175.120 175.120 175.954 -0.834 25642 9192 1 20 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.429 -0.119 25642 9193 1 20 . 1 1 65 65 LYS CB C 65 32.440 32.440 33.063 -0.623 25642 9194 1 20 . 1 1 65 65 LYS H H 65 9.150 9.150 8.105 1.045 25642 9195 1 20 . 1 1 66 66 GLY N N 66 115.020 115.020 111.705 3.315 25642 9196 1 20 . 1 1 66 66 GLY C C 66 170.210 170.210 172.400 -2.190 25642 9197 1 20 . 1 1 66 66 GLY CA C 66 44.480 44.480 45.404 -0.924 25642 9198 1 20 . 1 1 66 66 GLY H H 66 8.300 8.300 7.923 0.377 25642 9199 1 20 . 1 1 67 67 ASP N N 67 115.420 115.420 121.056 -5.636 25642 9200 1 20 . 1 1 67 67 ASP C C 67 176.920 176.920 175.818 1.102 25642 9201 1 20 . 1 1 67 67 ASP CA C 67 53.330 53.330 52.489 0.841 25642 9202 1 20 . 1 1 67 67 ASP CB C 67 41.950 41.950 43.880 -1.930 25642 9203 1 20 . 1 1 67 67 ASP H H 67 7.690 7.690 8.289 -0.599 25642 9204 1 20 . 1 1 68 68 VAL N N 68 122.440 122.440 117.960 4.480 25642 9205 1 20 . 1 1 68 68 VAL C C 68 174.450 174.450 174.079 0.371 25642 9206 1 20 . 1 1 68 68 VAL CA C 68 60.970 60.970 61.057 -0.087 25642 9207 1 20 . 1 1 68 68 VAL CB C 68 35.240 35.240 35.943 -0.703 25642 9208 1 20 . 1 1 68 68 VAL H H 68 8.930 8.930 7.973 0.957 25642 9209 1 20 . 1 1 69 69 ARG N N 69 130.610 130.610 127.298 3.312 25642 9210 1 20 . 1 1 69 69 ARG C C 69 175.150 175.150 174.081 1.069 25642 9211 1 20 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.602 0.218 25642 9212 1 20 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.821 -0.821 25642 9213 1 20 . 1 1 69 69 ARG H H 69 9.110 9.110 8.512 0.598 25642 9214 1 20 . 1 1 70 70 VAL N N 70 114.530 114.530 122.658 -8.128 25642 9215 1 20 . 1 1 70 70 VAL C C 70 175.440 175.440 173.407 2.033 25642 9216 1 20 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.081 -1.681 25642 9217 1 20 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.618 -0.248 25642 9218 1 20 . 1 1 70 70 VAL H H 70 8.290 8.290 7.736 0.554 25642 9219 1 20 . 1 1 71 71 GLY N N 71 108.150 108.150 108.808 -0.658 25642 9220 1 20 . 1 1 71 71 GLY C C 71 174.710 174.710 173.308 1.402 25642 9221 1 20 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.379 1.521 25642 9222 1 20 . 1 1 71 71 GLY H H 71 8.110 8.110 8.518 -0.408 25642 9223 1 20 . 1 1 72 72 ARG N N 72 120.660 120.660 121.676 -1.016 25642 9224 1 20 . 1 1 72 72 ARG C C 72 173.620 173.620 173.899 -0.279 25642 9225 1 20 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.645 0.675 25642 9226 1 20 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.953 0.827 25642 9227 1 20 . 1 1 72 72 ARG H H 72 7.690 7.690 7.760 -0.070 25642 9228 1 20 . 1 1 73 73 LEU N N 73 125.710 125.710 129.627 -3.917 25642 9229 1 20 . 1 1 73 73 LEU C C 73 175.230 175.230 174.826 0.404 25642 9230 1 20 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.615 -1.065 25642 9231 1 20 . 1 1 73 73 LEU CB C 73 46.530 46.530 44.776 1.754 25642 9232 1 20 . 1 1 73 73 LEU H H 73 8.570 8.570 8.636 -0.066 25642 9233 1 20 . 1 1 74 74 THR N N 74 123.150 123.150 124.410 -1.260 25642 9234 1 20 . 1 1 74 74 THR C C 74 173.670 173.670 173.788 -0.118 25642 9235 1 20 . 1 1 74 74 THR CA C 74 61.480 61.480 61.442 0.038 25642 9236 1 20 . 1 1 74 74 THR CB C 74 70.710 70.710 69.749 0.961 25642 9237 1 20 . 1 1 74 74 THR H H 74 8.860 8.860 8.584 0.276 25642 9238 1 20 . 1 1 75 75 VAL N N 75 127.890 127.890 127.593 0.297 25642 9239 1 20 . 1 1 75 75 VAL C C 75 176.800 176.800 176.856 -0.056 25642 9240 1 20 . 1 1 75 75 VAL CA C 75 61.130 61.130 61.830 -0.699 25642 9241 1 20 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.144 2.696 25642 9242 1 20 . 1 1 75 75 VAL H H 75 8.910 8.910 8.284 0.626 25642 9243 1 20 . 1 1 76 76 GLY N N 76 116.590 116.590 116.097 0.493 25642 9244 1 20 . 1 1 76 76 GLY C C 76 174.060 174.060 174.430 -0.370 25642 9245 1 20 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.667 -0.437 25642 9246 1 20 . 1 1 76 76 GLY H H 76 8.980 8.980 9.139 -0.159 25642 9247 1 20 . 1 1 77 77 GLU N N 77 121.140 121.140 118.690 2.450 25642 9248 1 20 . 1 1 77 77 GLU C C 77 178.620 178.620 178.876 -0.256 25642 9249 1 20 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.019 2.481 25642 9250 1 20 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.821 0.299 25642 9251 1 20 . 1 1 77 77 GLU H H 77 9.260 9.260 8.484 0.776 25642 9252 1 20 . 1 1 78 78 THR N N 78 105.330 105.330 115.097 -9.767 25642 9253 1 20 . 1 1 78 78 THR C C 78 174.990 174.990 174.981 0.009 25642 9254 1 20 . 1 1 78 78 THR CA C 78 62.040 62.040 64.332 -2.292 25642 9255 1 20 . 1 1 78 78 THR CB C 78 69.880 69.880 68.899 0.981 25642 9256 1 20 . 1 1 78 78 THR H H 78 8.010 8.010 8.596 -0.586 25642 9257 1 20 . 1 1 79 79 GLY N N 79 111.420 111.420 108.677 2.743 25642 9258 1 20 . 1 1 79 79 GLY C C 79 174.270 174.270 174.408 -0.138 25642 9259 1 20 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.916 -0.666 25642 9260 1 20 . 1 1 79 79 GLY H H 79 8.240 8.240 8.267 -0.027 25642 9261 1 20 . 1 1 80 80 HIS N N 80 123.970 123.970 118.411 5.559 25642 9262 1 20 . 1 1 80 80 HIS C C 80 173.800 173.800 174.014 -0.214 25642 9263 1 20 . 1 1 80 80 HIS CA C 80 54.860 54.860 54.137 0.723 25642 9264 1 20 . 1 1 80 80 HIS CB C 80 35.070 35.070 30.933 4.137 25642 9265 1 20 . 1 1 80 80 HIS H H 80 8.860 8.860 7.524 1.336 25642 9266 1 20 . 1 1 81 81 VAL N N 81 125.720 125.720 126.157 -0.437 25642 9267 1 20 . 1 1 81 81 VAL C C 81 174.580 174.580 173.359 1.221 25642 9268 1 20 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.421 -1.761 25642 9269 1 20 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.868 -0.008 25642 9270 1 20 . 1 1 81 81 VAL H H 81 8.900 8.900 8.380 0.520 25642 9271 1 20 . 1 1 82 82 GLU N N 82 129.500 129.500 127.634 1.866 25642 9272 1 20 . 1 1 82 82 GLU C C 82 175.200 175.200 175.298 -0.098 25642 9273 1 20 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.291 -0.391 25642 9274 1 20 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.928 -2.058 25642 9275 1 20 . 1 1 82 82 GLU H H 82 9.270 9.270 8.796 0.474 25642 9276 1 20 . 1 1 83 83 GLY N N 83 114.070 114.070 112.766 1.304 25642 9277 1 20 . 1 1 83 83 GLY C C 83 171.310 171.310 171.833 -0.523 25642 9278 1 20 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.585 -0.635 25642 9279 1 20 . 1 1 83 83 GLY H H 83 8.450 8.450 7.787 0.663 25642 9280 1 20 . 1 1 84 84 SER N N 84 113.810 113.810 116.883 -3.073 25642 9281 1 20 . 1 1 84 84 SER C C 84 173.140 173.140 174.162 -1.022 25642 9282 1 20 . 1 1 84 84 SER CA C 84 57.720 57.720 56.473 1.247 25642 9283 1 20 . 1 1 84 84 SER CB C 84 64.950 64.950 64.194 0.756 25642 9284 1 20 . 1 1 84 84 SER H H 84 8.320 8.320 8.063 0.257 25642 9285 1 20 . 1 1 85 85 VAL N N 85 121.060 121.060 129.122 -8.062 25642 9286 1 20 . 1 1 85 85 VAL C C 85 174.960 174.960 174.126 0.834 25642 9287 1 20 . 1 1 85 85 VAL CA C 85 60.420 60.420 62.192 -1.772 25642 9288 1 20 . 1 1 85 85 VAL CB C 85 34.900 34.900 32.379 2.521 25642 9289 1 20 . 1 1 85 85 VAL H H 85 8.730 8.730 8.459 0.271 25642 9290 1 20 . 1 1 86 86 TYR N N 86 129.090 129.090 127.602 1.488 25642 9291 1 20 . 1 1 86 86 TYR C C 86 174.420 174.420 174.606 -0.186 25642 9292 1 20 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.441 0.019 25642 9293 1 20 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.633 0.217 25642 9294 1 20 . 1 1 86 86 TYR H H 86 9.580 9.580 8.333 1.247 25642 9295 1 20 . 1 1 87 87 ALA N N 87 122.670 122.670 126.173 -3.503 25642 9296 1 20 . 1 1 87 87 ALA C C 87 177.320 177.320 175.556 1.764 25642 9297 1 20 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.264 -0.004 25642 9298 1 20 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.822 0.628 25642 9299 1 20 . 1 1 87 87 ALA H H 87 8.080 8.080 8.336 -0.256 25642 9300 1 20 . 1 1 88 88 GLU N N 88 120.180 120.180 118.728 1.452 25642 9301 1 20 . 1 1 88 88 GLU C C 88 177.310 177.310 176.246 1.064 25642 9302 1 20 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.172 1.018 25642 9303 1 20 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.309 -1.659 25642 9304 1 20 . 1 1 88 88 GLU H H 88 8.640 8.640 8.316 0.324 25642 9305 1 20 . 1 1 89 89 ALA N N 89 118.770 118.770 119.304 -0.534 25642 9306 1 20 . 1 1 89 89 ALA C C 89 175.890 175.890 174.750 1.140 25642 9307 1 20 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.880 0.630 25642 9308 1 20 . 1 1 89 89 ALA CB C 89 22.270 22.270 23.142 -0.872 25642 9309 1 20 . 1 1 89 89 ALA H H 89 7.340 7.340 7.993 -0.653 25642 9310 1 20 . 1 1 90 90 VAL N N 90 119.720 119.720 122.393 -2.673 25642 9311 1 20 . 1 1 90 90 VAL C C 90 174.710 174.710 173.679 1.031 25642 9312 1 20 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.161 0.359 25642 9313 1 20 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.762 0.228 25642 9314 1 20 . 1 1 90 90 VAL H H 90 8.490 8.490 8.059 0.431 25642 9315 1 20 . 1 1 91 91 GLU N N 91 128.200 128.200 129.182 -0.982 25642 9316 1 20 . 1 1 91 91 GLU C C 91 175.470 175.470 175.731 -0.261 25642 9317 1 20 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.371 0.419 25642 9318 1 20 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.427 1.253 25642 9319 1 20 . 1 1 91 91 GLU H H 91 9.070 9.070 8.744 0.326 25642 9320 1 20 . 1 1 92 92 VAL N N 92 122.080 122.080 125.596 -3.516 25642 9321 1 20 . 1 1 92 92 VAL C C 92 174.490 174.490 175.709 -1.219 25642 9322 1 20 . 1 1 92 92 VAL CA C 92 62.660 62.660 62.517 0.143 25642 9323 1 20 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.173 0.917 25642 9324 1 20 . 1 1 92 92 VAL H H 92 9.450 9.450 8.454 0.996 25642 9325 1 20 . 1 1 93 93 ARG N N 93 123.900 123.900 123.473 0.427 25642 9326 1 20 . 1 1 93 93 ARG C C 93 176.280 176.280 175.345 0.935 25642 9327 1 20 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.020 1.270 25642 9328 1 20 . 1 1 93 93 ARG CB C 93 30.890 30.890 32.298 -1.409 25642 9329 1 20 . 1 1 93 93 ARG H H 93 9.200 9.200 8.351 0.849 25642 9330 1 20 . 1 1 94 94 GLY N N 94 111.100 111.100 105.985 5.115 25642 9331 1 20 . 1 1 94 94 GLY C C 94 170.710 170.710 172.011 -1.301 25642 9332 1 20 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.391 0.399 25642 9333 1 20 . 1 1 94 94 GLY H H 94 6.250 6.250 7.661 -1.411 25642 9334 1 20 . 1 1 95 95 ARG N N 95 126.190 126.190 119.689 6.501 25642 9335 1 20 . 1 1 95 95 ARG C C 95 175.570 175.570 174.808 0.762 25642 9336 1 20 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.509 -0.839 25642 9337 1 20 . 1 1 95 95 ARG CB C 95 33.920 33.920 33.185 0.735 25642 9338 1 20 . 1 1 95 95 ARG H H 95 8.140 8.140 7.789 0.351 25642 9339 1 20 . 1 1 96 96 VAL N N 96 124.800 124.800 122.233 2.567 25642 9340 1 20 . 1 1 96 96 VAL C C 96 174.070 174.070 173.352 0.718 25642 9341 1 20 . 1 1 96 96 VAL CA C 96 61.160 61.160 59.902 1.258 25642 9342 1 20 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.447 0.414 25642 9343 1 20 . 1 1 96 96 VAL H H 96 9.430 9.430 8.876 0.554 25642 9344 1 20 . 1 1 97 97 VAL N N 97 128.010 128.010 123.168 4.842 25642 9345 1 20 . 1 1 97 97 VAL C C 97 176.430 176.430 174.614 1.816 25642 9346 1 20 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.396 1.684 25642 9347 1 20 . 1 1 97 97 VAL CB C 97 33.630 33.630 32.761 0.869 25642 9348 1 20 . 1 1 97 97 VAL H H 97 9.260 9.260 8.946 0.314 25642 9349 1 20 . 1 1 98 98 GLY N N 98 116.340 116.340 115.060 1.280 25642 9350 1 20 . 1 1 98 98 GLY C C 98 171.770 171.770 172.012 -0.242 25642 9351 1 20 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.377 -0.487 25642 9352 1 20 . 1 1 98 98 GLY H H 98 8.600 8.600 8.167 0.433 25642 9353 1 20 . 1 1 99 99 ALA N N 99 124.110 124.110 123.246 0.864 25642 9354 1 20 . 1 1 99 99 ALA C C 99 176.060 176.060 174.840 1.220 25642 9355 1 20 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.433 0.257 25642 9356 1 20 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.486 -0.786 25642 9357 1 20 . 1 1 99 99 ALA H H 99 8.110 8.110 7.792 0.318 25642 9358 1 20 . 1 1 100 100 ILE N N 100 119.340 119.340 116.032 3.308 25642 9359 1 20 . 1 1 100 100 ILE C C 100 174.770 174.770 173.835 0.935 25642 9360 1 20 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.610 1.010 25642 9361 1 20 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.666 0.654 25642 9362 1 20 . 1 1 100 100 ILE H H 100 8.910 8.910 8.138 0.772 25642 9363 1 20 . 1 1 101 101 THR N N 101 127.010 127.010 122.015 4.995 25642 9364 1 20 . 1 1 101 101 THR C C 101 173.980 173.980 173.216 0.764 25642 9365 1 20 . 1 1 101 101 THR CA C 101 61.620 61.620 61.427 0.193 25642 9366 1 20 . 1 1 101 101 THR CB C 101 69.700 69.700 70.671 -0.971 25642 9367 1 20 . 1 1 101 101 THR H H 101 8.950 8.950 8.733 0.217 25642 9368 1 20 . 1 1 102 102 SER N N 102 119.870 119.870 120.387 -0.517 25642 9369 1 20 . 1 1 102 102 SER C C 102 174.000 174.000 173.522 0.478 25642 9370 1 20 . 1 1 102 102 SER CA C 102 56.190 56.190 56.450 -0.260 25642 9371 1 20 . 1 1 102 102 SER CB C 102 64.710 64.710 65.785 -1.075 25642 9372 1 20 . 1 1 102 102 SER H H 102 8.800 8.800 8.225 0.575 25642 9373 1 20 . 1 1 103 103 LYS N N 103 124.650 124.650 122.057 2.593 25642 9374 1 20 . 1 1 103 103 LYS C C 103 177.200 177.200 177.133 0.067 25642 9375 1 20 . 1 1 103 103 LYS CA C 103 61.300 61.300 58.239 3.061 25642 9376 1 20 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.276 -0.767 25642 9377 1 20 . 1 1 103 103 LYS H H 103 7.560 7.560 8.340 -0.780 25642 9378 1 20 . 1 1 104 104 GLN N N 104 115.370 115.370 115.810 -0.440 25642 9379 1 20 . 1 1 104 104 GLN C C 104 174.650 174.650 174.454 0.196 25642 9380 1 20 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.575 0.285 25642 9381 1 20 . 1 1 104 104 GLN CB C 104 31.880 31.880 33.120 -1.240 25642 9382 1 20 . 1 1 104 104 GLN H H 104 7.650 7.650 7.884 -0.234 25642 9383 1 20 . 1 1 105 105 VAL N N 105 125.510 125.510 117.960 7.550 25642 9384 1 20 . 1 1 105 105 VAL C C 105 174.530 174.530 173.688 0.842 25642 9385 1 20 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.276 0.644 25642 9386 1 20 . 1 1 105 105 VAL CB C 105 35.000 35.000 33.532 1.468 25642 9387 1 20 . 1 1 105 105 VAL H H 105 8.670 8.670 7.998 0.672 25642 9388 1 20 . 1 1 106 106 ARG CA C 106 55.050 55.050 53.925 1.125 25642 9389 1 20 . 1 1 106 106 ARG CB C 106 33.740 33.740 31.966 1.774 25642 9390 1 20 . 1 1 106 106 ARG H H 106 8.560 8.560 8.814 -0.254 25642 9391 1 20 . 1 1 107 107 LEU N N 107 125.820 125.820 126.053 -0.233 25642 9392 1 20 . 1 1 107 107 LEU C C 107 176.190 176.190 175.139 1.051 25642 9393 1 20 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.199 -0.629 25642 9394 1 20 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.554 0.576 25642 9395 1 20 . 1 1 107 107 LEU H H 107 8.730 8.730 8.153 0.577 25642 9396 1 20 . 1 1 108 108 TYR N N 108 120.870 120.870 123.613 -2.743 25642 9397 1 20 . 1 1 108 108 TYR C C 108 178.880 178.880 177.205 1.675 25642 9398 1 20 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.594 0.936 25642 9399 1 20 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.370 -0.590 25642 9400 1 20 . 1 1 108 108 TYR H H 108 8.280 8.280 7.771 0.509 25642 9401 1 20 . 1 1 109 109 GLY N N 109 112.380 112.380 109.414 2.966 25642 9402 1 20 . 1 1 109 109 GLY C C 109 172.330 172.330 175.150 -2.820 25642 9403 1 20 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.210 2.070 25642 9404 1 20 . 1 1 109 109 GLY H H 109 10.080 10.080 8.801 1.279 25642 9405 1 20 . 1 1 110 110 THR N N 110 103.280 103.280 112.912 -9.632 25642 9406 1 20 . 1 1 110 110 THR C C 110 175.370 175.370 174.691 0.679 25642 9407 1 20 . 1 1 110 110 THR CA C 110 61.220 61.220 61.669 -0.449 25642 9408 1 20 . 1 1 110 110 THR CB C 110 70.160 70.160 68.274 1.886 25642 9409 1 20 . 1 1 110 110 THR H H 110 6.910 6.910 8.518 -1.608 25642 9410 1 20 . 1 1 111 111 SER N N 111 118.040 118.040 118.195 -0.155 25642 9411 1 20 . 1 1 111 111 SER C C 111 174.740 174.740 173.055 1.685 25642 9412 1 20 . 1 1 111 111 SER CA C 111 59.070 59.070 61.224 -2.154 25642 9413 1 20 . 1 1 111 111 SER CB C 111 67.870 67.870 63.917 3.953 25642 9414 1 20 . 1 1 111 111 SER H H 111 7.960 7.960 7.954 0.006 25642 9415 1 20 . 1 1 112 112 TYR N N 112 124.220 124.220 122.063 2.157 25642 9416 1 20 . 1 1 112 112 TYR C C 112 174.090 174.090 173.437 0.653 25642 9417 1 20 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.030 0.380 25642 9418 1 20 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.606 -0.916 25642 9419 1 20 . 1 1 112 112 TYR H H 112 8.720 8.720 8.364 0.356 25642 9420 1 20 . 1 1 113 113 VAL N N 113 129.090 129.090 126.601 2.489 25642 9421 1 20 . 1 1 113 113 VAL C C 113 173.870 173.870 172.853 1.017 25642 9422 1 20 . 1 1 113 113 VAL CA C 113 61.040 61.040 59.546 1.494 25642 9423 1 20 . 1 1 113 113 VAL CB C 113 34.930 34.930 35.228 -0.298 25642 9424 1 20 . 1 1 113 113 VAL H H 113 9.640 9.640 7.992 1.648 25642 9425 1 20 . 1 1 114 114 ASP N N 114 127.460 127.460 128.415 -0.955 25642 9426 1 20 . 1 1 114 114 ASP C C 114 176.250 176.250 175.026 1.224 25642 9427 1 20 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.854 -1.384 25642 9428 1 20 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.526 -0.306 25642 9429 1 20 . 1 1 114 114 ASP H H 114 8.630 8.630 7.862 0.768 25642 9430 1 20 . 1 1 115 115 GLY N N 115 113.040 113.040 111.911 1.129 25642 9431 1 20 . 1 1 115 115 GLY C C 115 171.140 171.140 172.580 -1.440 25642 9432 1 20 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.056 0.094 25642 9433 1 20 . 1 1 115 115 GLY H H 115 8.880 8.880 8.170 0.710 25642 9434 1 20 . 1 1 116 116 ASP N N 116 117.450 117.450 122.112 -4.662 25642 9435 1 20 . 1 1 116 116 ASP C C 116 176.850 176.850 175.312 1.538 25642 9436 1 20 . 1 1 116 116 ASP CA C 116 53.360 53.360 55.499 -2.139 25642 9437 1 20 . 1 1 116 116 ASP CB C 116 42.370 42.370 42.221 0.149 25642 9438 1 20 . 1 1 116 116 ASP H H 116 7.390 7.390 8.095 -0.705 25642 9439 1 20 . 1 1 117 117 ILE N N 117 121.440 121.440 123.606 -2.166 25642 9440 1 20 . 1 1 117 117 ILE C C 117 176.780 176.780 174.450 2.330 25642 9441 1 20 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.462 1.258 25642 9442 1 20 . 1 1 117 117 ILE CB C 117 38.630 38.630 42.221 -3.591 25642 9443 1 20 . 1 1 117 117 ILE H H 117 9.200 9.200 8.022 1.178 25642 9444 1 20 . 1 1 118 118 THR N N 118 131.550 131.550 121.023 10.527 25642 9445 1 20 . 1 1 118 118 THR C C 118 173.630 173.630 172.977 0.653 25642 9446 1 20 . 1 1 118 118 THR CA C 118 62.110 62.110 60.759 1.351 25642 9447 1 20 . 1 1 118 118 THR CB C 118 67.860 67.860 69.072 -1.212 25642 9448 1 20 . 1 1 118 118 THR H H 118 9.560 9.560 8.221 1.339 25642 9449 1 20 . 1 1 119 119 HIS N N 119 121.300 121.300 122.329 -1.029 25642 9450 1 20 . 1 1 119 119 HIS C C 119 174.780 174.780 174.249 0.531 25642 9451 1 20 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.626 2.224 25642 9452 1 20 . 1 1 119 119 HIS CB C 119 32.550 32.550 32.389 0.161 25642 9453 1 20 . 1 1 119 119 HIS H H 119 8.290 8.290 7.546 0.744 25642 9454 1 20 . 1 1 120 120 GLU N N 120 118.130 118.130 118.065 0.065 25642 9455 1 20 . 1 1 120 120 GLU C C 120 177.120 177.120 176.768 0.352 25642 9456 1 20 . 1 1 120 120 GLU CA C 120 58.780 58.780 56.788 1.992 25642 9457 1 20 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.589 -0.289 25642 9458 1 20 . 1 1 120 120 GLU H H 120 7.710 7.710 8.534 -0.824 25642 9459 1 20 . 1 1 121 121 GLN N N 121 117.670 117.670 118.608 -0.938 25642 9460 1 20 . 1 1 121 121 GLN C C 121 172.760 172.760 174.332 -1.572 25642 9461 1 20 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.514 1.366 25642 9462 1 20 . 1 1 121 121 GLN CB C 121 32.580 32.580 30.319 2.261 25642 9463 1 20 . 1 1 121 121 GLN H H 121 8.950 8.950 7.799 1.151 25642 9464 1 20 . 1 1 122 122 LEU N N 122 126.250 126.250 124.399 1.851 25642 9465 1 20 . 1 1 122 122 LEU C C 122 173.300 173.300 176.107 -2.807 25642 9466 1 20 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.888 -0.068 25642 9467 1 20 . 1 1 122 122 LEU CB C 122 45.450 45.450 42.803 2.647 25642 9468 1 20 . 1 1 122 122 LEU H H 122 8.660 8.660 8.564 0.096 25642 9469 1 20 . 1 1 123 123 ALA N N 123 126.670 126.670 129.217 -2.547 25642 9470 1 20 . 1 1 123 123 ALA C C 123 175.940 175.940 174.889 1.051 25642 9471 1 20 . 1 1 123 123 ALA CA C 123 49.570 49.570 52.090 -2.520 25642 9472 1 20 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.826 0.524 25642 9473 1 20 . 1 1 123 123 ALA H H 123 8.090 8.090 8.329 -0.239 25642 9474 1 20 . 1 1 124 124 MET N N 124 119.800 119.800 118.929 0.871 25642 9475 1 20 . 1 1 124 124 MET C C 124 174.960 174.960 174.635 0.325 25642 9476 1 20 . 1 1 124 124 MET CA C 124 54.770 54.770 53.495 1.275 25642 9477 1 20 . 1 1 124 124 MET CB C 124 37.620 37.620 35.268 2.352 25642 9478 1 20 . 1 1 124 124 MET H H 124 8.810 8.810 8.168 0.642 25642 9479 1 20 . 1 1 125 125 GLU N N 125 125.500 125.500 121.870 3.630 25642 9480 1 20 . 1 1 125 125 GLU C C 125 175.410 175.410 175.488 -0.078 25642 9481 1 20 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.251 0.419 25642 9482 1 20 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.651 -0.141 25642 9483 1 20 . 1 1 125 125 GLU H H 125 8.760 8.760 8.269 0.491 25642 9484 1 20 . 1 1 126 126 THR N N 126 118.440 118.440 115.945 2.495 25642 9485 1 20 . 1 1 126 126 THR C C 126 174.300 174.300 174.966 -0.666 25642 9486 1 20 . 1 1 126 126 THR CA C 126 65.870 65.870 64.533 1.337 25642 9487 1 20 . 1 1 126 126 THR CB C 126 69.050 69.050 68.851 0.199 25642 9488 1 20 . 1 1 127 127 GLY N N 127 116.970 116.970 110.738 6.232 25642 9489 1 20 . 1 1 127 127 GLY C C 127 175.320 175.320 173.183 2.137 25642 9490 1 20 . 1 1 127 127 GLY CA C 127 45.000 45.000 44.953 0.047 25642 9491 1 20 . 1 1 128 128 ALA N N 128 124.190 124.190 123.208 0.982 25642 9492 1 20 . 1 1 128 128 ALA C C 128 177.670 177.670 175.843 1.827 25642 9493 1 20 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.687 1.953 25642 9494 1 20 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.499 0.251 25642 9495 1 20 . 1 1 128 128 ALA H H 128 7.930 7.930 7.492 0.438 25642 9496 1 20 . 1 1 129 129 PHE N N 129 127.300 127.300 128.097 -0.797 25642 9497 1 20 . 1 1 129 129 PHE C C 129 173.400 173.400 172.960 0.440 25642 9498 1 20 . 1 1 129 129 PHE CA C 129 56.890 56.890 57.074 -0.184 25642 9499 1 20 . 1 1 129 129 PHE CB C 129 40.520 40.520 42.022 -1.502 25642 9500 1 20 . 1 1 129 129 PHE H H 129 8.550 8.550 8.105 0.445 25642 9501 1 20 . 1 1 130 130 PHE N N 130 131.220 131.220 128.721 2.499 25642 9502 1 20 . 1 1 130 130 PHE C C 130 173.550 173.550 173.548 0.002 25642 9503 1 20 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.710 -2.340 25642 9504 1 20 . 1 1 130 130 PHE CB C 130 40.460 40.460 40.761 -0.301 25642 9505 1 20 . 1 1 130 130 PHE H H 130 8.860 8.860 8.580 0.280 25642 9506 1 20 . 1 1 131 131 GLN N N 131 130.230 130.230 128.751 1.479 25642 9507 1 20 . 1 1 131 131 GLN C C 131 173.350 173.350 174.174 -0.824 25642 9508 1 20 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.834 -1.414 25642 9509 1 20 . 1 1 131 131 GLN CB C 131 33.000 33.000 31.274 1.726 25642 9510 1 20 . 1 1 131 131 GLN H H 131 8.840 8.840 8.314 0.526 25642 9511 1 20 . 1 1 132 132 GLY N N 132 112.460 112.460 109.109 3.351 25642 9512 1 20 . 1 1 132 132 GLY C C 132 172.750 172.750 172.598 0.152 25642 9513 1 20 . 1 1 132 132 GLY CA C 132 44.470 44.470 44.997 -0.527 25642 9514 1 20 . 1 1 133 133 ARG N N 133 119.950 119.950 120.739 -0.789 25642 9515 1 20 . 1 1 133 133 ARG C C 133 173.910 173.910 175.269 -1.359 25642 9516 1 20 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.941 -0.071 25642 9517 1 20 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.768 1.422 25642 9518 1 20 . 1 1 133 133 ARG H H 133 8.470 8.470 8.246 0.224 25642 9519 1 20 . 1 1 134 134 SER N N 134 119.120 119.120 119.694 -0.574 25642 9520 1 20 . 1 1 134 134 SER C C 134 174.260 174.260 173.928 0.332 25642 9521 1 20 . 1 1 134 134 SER CA C 134 57.140 57.140 57.798 -0.658 25642 9522 1 20 . 1 1 134 134 SER CB C 134 63.450 63.450 64.278 -0.828 25642 9523 1 20 . 1 1 134 134 SER H H 134 8.680 8.680 8.368 0.312 25642 9524 1 20 . 1 1 135 135 LEU N N 135 127.740 127.740 126.470 1.270 25642 9525 1 20 . 1 1 135 135 LEU C C 135 174.990 174.990 176.595 -1.605 25642 9526 1 20 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.081 -0.861 25642 9527 1 20 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.977 2.203 25642 9528 1 20 . 1 1 135 135 LEU H H 135 8.560 8.560 8.019 0.541 25642 9529 1 20 . 1 1 136 136 LYS N N 136 118.190 118.190 123.939 -5.749 25642 9530 1 20 . 1 1 136 136 LYS C C 136 178.030 178.030 176.380 1.650 25642 9531 1 20 . 1 1 136 136 LYS CA C 136 52.060 52.060 54.861 -2.801 25642 9532 1 20 . 1 1 136 136 LYS CB C 136 32.010 32.010 32.092 -0.082 25642 9533 1 20 . 1 1 136 136 LYS H H 136 8.180 8.180 8.503 -0.323 25642 9534 1 20 . 1 1 137 137 PHE N N 137 121.570 121.570 125.010 -3.440 25642 9535 1 20 . 1 1 137 137 PHE C C 137 176.370 176.370 176.211 0.159 25642 9536 1 20 . 1 1 137 137 PHE CA C 137 58.940 58.940 59.096 -0.156 25642 9537 1 20 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.719 0.011 25642 9538 1 20 . 1 1 137 137 PHE H H 137 7.800 7.800 8.572 -0.772 25642 9539 1 20 . 1 1 138 138 GLN N N 138 123.070 123.070 128.680 -5.610 25642 9540 1 20 . 1 1 138 138 GLN H H 138 8.560 8.560 7.743 0.817 25642 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 99 3.796 -0.681 3.753 25642 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25642 3 1 1 "Average Difference" C 99 1.097 -0.153 1.091 25642 4 1 1 "Average Difference" CA 99 1.120 -0.112 1.120 25642 5 1 1 "Average Difference" CB 83 1.504 -0.310 1.481 25642 6 1 1 "Average Difference" HN 97 0.695 -0.298 0.631 25642 7 1 2 "Average Difference" N 99 3.835 -0.293 3.843 25642 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25642 9 1 2 "Average Difference" C 99 1.128 -0.140 1.125 25642 10 1 2 "Average Difference" CA 99 1.198 -0.103 1.199 25642 11 1 2 "Average Difference" CB 83 1.424 -0.350 1.388 25642 12 1 2 "Average Difference" HN 97 0.696 -0.321 0.621 25642 13 1 3 "Average Difference" N 99 3.967 0.077 3.986 25642 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25642 15 1 3 "Average Difference" C 99 1.155 -0.109 1.155 25642 16 1 3 "Average Difference" CA 99 1.121 -0.073 1.125 25642 17 1 3 "Average Difference" CB 83 1.590 -0.448 1.535 25642 18 1 3 "Average Difference" HN 97 0.701 -0.299 0.637 25642 19 1 4 "Average Difference" N 99 3.668 -0.282 3.676 25642 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25642 21 1 4 "Average Difference" C 99 1.094 -0.128 1.092 25642 22 1 4 "Average Difference" CA 99 1.193 -0.155 1.189 25642 23 1 4 "Average Difference" CB 83 1.512 -0.429 1.459 25642 24 1 4 "Average Difference" HN 97 0.671 -0.286 0.611 25642 25 1 5 "Average Difference" N 99 3.709 -0.402 3.706 25642 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25642 27 1 5 "Average Difference" C 99 1.178 -0.231 1.161 25642 28 1 5 "Average Difference" CA 99 1.109 -0.162 1.103 25642 29 1 5 "Average Difference" CB 83 1.523 -0.283 1.506 25642 30 1 5 "Average Difference" HN 97 0.692 -0.281 0.635 25642 31 1 6 "Average Difference" N 99 3.841 -0.169 3.857 25642 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25642 33 1 6 "Average Difference" C 99 1.155 -0.167 1.148 25642 34 1 6 "Average Difference" CA 99 1.218 -0.134 1.217 25642 35 1 6 "Average Difference" CB 83 1.544 -0.308 1.522 25642 36 1 6 "Average Difference" HN 97 0.716 -0.325 0.641 25642 37 1 7 "Average Difference" N 99 3.815 -0.333 3.820 25642 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25642 39 1 7 "Average Difference" C 99 1.117 -0.195 1.106 25642 40 1 7 "Average Difference" CA 99 1.108 -0.162 1.102 25642 41 1 7 "Average Difference" CB 83 1.531 -0.368 1.495 25642 42 1 7 "Average Difference" HN 97 0.703 -0.323 0.627 25642 43 1 8 "Average Difference" N 99 3.941 -0.194 3.956 25642 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25642 45 1 8 "Average Difference" C 99 1.269 -0.157 1.265 25642 46 1 8 "Average Difference" CA 99 1.140 -0.166 1.133 25642 47 1 8 "Average Difference" CB 83 1.580 -0.469 1.518 25642 48 1 8 "Average Difference" HN 97 0.728 -0.320 0.657 25642 49 1 9 "Average Difference" N 99 3.767 -0.150 3.783 25642 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25642 51 1 9 "Average Difference" C 99 1.183 -0.156 1.178 25642 52 1 9 "Average Difference" CA 99 1.173 -0.112 1.173 25642 53 1 9 "Average Difference" CB 83 1.630 -0.428 1.582 25642 54 1 9 "Average Difference" HN 97 0.725 -0.286 0.670 25642 55 1 10 "Average Difference" N 99 3.866 0.037 3.886 25642 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25642 57 1 10 "Average Difference" C 99 1.178 -0.148 1.175 25642 58 1 10 "Average Difference" CA 99 1.192 -0.258 1.169 25642 59 1 10 "Average Difference" CB 83 1.673 -0.435 1.626 25642 60 1 10 "Average Difference" HN 97 0.686 -0.302 0.619 25642 61 1 11 "Average Difference" N 99 3.959 -0.199 3.975 25642 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25642 63 1 11 "Average Difference" C 99 1.196 -0.151 1.192 25642 64 1 11 "Average Difference" CA 99 1.228 -0.107 1.230 25642 65 1 11 "Average Difference" CB 83 1.523 -0.452 1.464 25642 66 1 11 "Average Difference" HN 97 0.672 -0.285 0.611 25642 67 1 12 "Average Difference" N 99 3.696 -0.470 3.685 25642 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25642 69 1 12 "Average Difference" C 99 1.224 -0.171 1.219 25642 70 1 12 "Average Difference" CA 99 1.237 -0.188 1.229 25642 71 1 12 "Average Difference" CB 83 1.499 -0.362 1.464 25642 72 1 12 "Average Difference" HN 97 0.686 -0.335 0.602 25642 73 1 13 "Average Difference" N 99 3.950 -0.388 3.951 25642 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25642 75 1 13 "Average Difference" C 99 1.250 -0.168 1.245 25642 76 1 13 "Average Difference" CA 99 1.145 -0.174 1.137 25642 77 1 13 "Average Difference" CB 83 1.580 -0.392 1.539 25642 78 1 13 "Average Difference" HN 97 0.720 -0.341 0.637 25642 79 1 14 "Average Difference" N 99 3.778 -0.437 3.772 25642 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25642 81 1 14 "Average Difference" C 99 1.122 -0.100 1.123 25642 82 1 14 "Average Difference" CA 99 1.146 -0.180 1.138 25642 83 1 14 "Average Difference" CB 83 1.585 -0.414 1.539 25642 84 1 14 "Average Difference" HN 97 0.730 -0.340 0.649 25642 85 1 15 "Average Difference" N 99 3.573 -0.312 3.578 25642 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25642 87 1 15 "Average Difference" C 99 1.205 -0.203 1.194 25642 88 1 15 "Average Difference" CA 99 1.192 -0.224 1.177 25642 89 1 15 "Average Difference" CB 83 1.568 -0.431 1.517 25642 90 1 15 "Average Difference" HN 97 0.722 -0.320 0.651 25642 91 1 16 "Average Difference" N 99 3.837 -0.381 3.838 25642 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25642 93 1 16 "Average Difference" C 99 1.206 -0.204 1.194 25642 94 1 16 "Average Difference" CA 99 1.248 -0.216 1.235 25642 95 1 16 "Average Difference" CB 83 1.431 -0.280 1.412 25642 96 1 16 "Average Difference" HN 97 0.688 -0.297 0.624 25642 97 1 17 "Average Difference" N 99 3.945 -0.398 3.945 25642 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25642 99 1 17 "Average Difference" C 99 1.254 -0.229 1.239 25642 100 1 17 "Average Difference" CA 99 1.211 -0.133 1.210 25642 101 1 17 "Average Difference" CB 83 1.374 -0.190 1.369 25642 102 1 17 "Average Difference" HN 97 0.732 -0.332 0.656 25642 103 1 18 "Average Difference" N 99 3.815 -0.419 3.811 25642 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25642 105 1 18 "Average Difference" C 99 1.179 -0.098 1.181 25642 106 1 18 "Average Difference" CA 99 1.083 -0.066 1.087 25642 107 1 18 "Average Difference" CB 83 1.800 -0.492 1.742 25642 108 1 18 "Average Difference" HN 97 0.695 -0.290 0.635 25642 109 1 19 "Average Difference" N 99 3.998 -0.551 3.980 25642 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25642 111 1 19 "Average Difference" C 99 1.212 -0.100 1.214 25642 112 1 19 "Average Difference" CA 99 1.102 -0.185 1.092 25642 113 1 19 "Average Difference" CB 83 1.558 -0.469 1.494 25642 114 1 19 "Average Difference" HN 97 0.709 -0.363 0.613 25642 115 1 20 "Average Difference" N 99 3.676 -0.191 3.690 25642 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25642 117 1 20 "Average Difference" C 99 1.146 -0.189 1.136 25642 118 1 20 "Average Difference" CA 99 1.173 -0.139 1.170 25642 119 1 20 "Average Difference" CB 83 1.473 -0.424 1.419 25642 120 1 20 "Average Difference" HN 97 0.687 -0.337 0.602 25642 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 25642 _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 38 38 VAL C C 38 175.900 175.900 174.942 0.958 25642 2 1 . 1 1 39 39 ALA N N 39 130.020 130.020 123.487 6.533 25642 3 1 . 1 1 39 39 ALA C C 39 177.440 177.440 176.780 0.660 25642 4 1 . 1 1 39 39 ALA CA C 39 52.380 52.380 51.096 1.284 25642 5 1 . 1 1 39 39 ALA CB C 39 19.820 19.820 20.461 -0.641 25642 6 1 . 1 1 39 39 ALA H H 39 8.200 8.200 7.869 0.331 25642 7 1 . 1 1 40 40 SER N N 40 115.080 115.080 117.568 -2.488 25642 8 1 . 1 1 40 40 SER C C 40 173.460 173.460 173.009 0.451 25642 9 1 . 1 1 40 40 SER CA C 40 60.040 60.040 57.679 2.361 25642 10 1 . 1 1 40 40 SER CB C 40 66.420 66.420 65.074 1.346 25642 11 1 . 1 1 40 40 SER H H 40 7.970 7.970 8.264 -0.294 25642 12 1 . 1 1 41 41 LEU N N 41 127.860 127.860 124.010 3.850 25642 13 1 . 1 1 41 41 LEU C C 41 174.130 174.130 175.848 -1.718 25642 14 1 . 1 1 41 41 LEU CA C 41 54.660 54.660 54.081 0.579 25642 15 1 . 1 1 41 41 LEU CB C 41 46.300 46.300 43.771 2.529 25642 16 1 . 1 1 41 41 LEU H H 41 9.490 9.490 8.452 1.038 25642 17 1 . 1 1 42 42 LEU N N 42 126.730 126.730 127.161 -0.431 25642 18 1 . 1 1 42 42 LEU C C 42 175.120 175.120 176.543 -1.423 25642 19 1 . 1 1 42 42 LEU CA C 42 52.710 52.710 53.554 -0.844 25642 20 1 . 1 1 42 42 LEU CB C 42 41.460 41.460 43.068 -1.608 25642 21 1 . 1 1 42 42 LEU H H 42 8.640 8.640 8.599 0.041 25642 22 1 . 1 1 43 43 SER N N 43 123.530 123.530 120.586 2.944 25642 23 1 . 1 1 43 43 SER C C 43 172.810 172.810 175.131 -2.321 25642 24 1 . 1 1 43 43 SER CA C 43 58.990 58.990 58.913 0.077 25642 25 1 . 1 1 43 43 SER CB C 43 64.200 64.200 64.021 0.179 25642 26 1 . 1 1 43 43 SER H H 43 9.060 9.060 8.690 0.370 25642 27 1 . 1 1 44 44 ALA N N 44 119.250 119.250 121.056 -1.806 25642 28 1 . 1 1 44 44 ALA C C 44 177.720 177.720 178.333 -0.613 25642 29 1 . 1 1 44 44 ALA CA C 44 54.000 54.000 53.808 0.192 25642 30 1 . 1 1 44 44 ALA CB C 44 18.730 18.730 19.065 -0.335 25642 31 1 . 1 1 44 44 ALA H H 44 8.490 8.490 8.429 0.061 25642 32 1 . 1 1 45 45 ASP N N 45 114.450 114.450 117.611 -3.161 25642 33 1 . 1 1 45 45 ASP C C 45 175.800 175.800 175.068 0.732 25642 34 1 . 1 1 45 45 ASP CA C 45 53.980 53.980 54.445 -0.465 25642 35 1 . 1 1 45 45 ASP CB C 45 41.680 41.680 39.694 1.986 25642 36 1 . 1 1 45 45 ASP H H 45 8.080 8.080 8.386 -0.306 25642 37 1 . 1 1 46 46 LEU N N 46 122.200 122.200 120.700 1.500 25642 38 1 . 1 1 46 46 LEU C C 46 176.290 176.290 175.368 0.922 25642 39 1 . 1 1 46 46 LEU CA C 46 54.620 54.620 54.228 0.392 25642 40 1 . 1 1 46 46 LEU CB C 46 45.960 45.960 44.346 1.614 25642 41 1 . 1 1 46 46 LEU H H 46 7.860 7.860 7.340 0.520 25642 42 1 . 1 1 47 47 THR N N 47 119.850 119.850 117.359 2.491 25642 43 1 . 1 1 47 47 THR C C 47 174.140 174.140 174.047 0.093 25642 44 1 . 1 1 47 47 THR CA C 47 61.650 61.650 60.404 1.246 25642 45 1 . 1 1 47 47 THR CB C 47 71.210 71.210 70.326 0.884 25642 46 1 . 1 1 47 47 THR H H 47 9.000 9.000 8.322 0.678 25642 47 1 . 1 1 48 48 ILE N N 48 128.090 128.090 127.344 0.746 25642 48 1 . 1 1 48 48 ILE C C 48 174.810 174.810 175.270 -0.460 25642 49 1 . 1 1 48 48 ILE CA C 48 59.150 59.150 59.975 -0.825 25642 50 1 . 1 1 48 48 ILE CB C 48 40.110 40.110 38.623 1.487 25642 51 1 . 1 1 48 48 ILE H H 48 9.330 9.330 8.222 1.108 25642 52 1 . 1 1 49 49 GLU N N 49 129.080 129.080 124.800 4.280 25642 53 1 . 1 1 49 49 GLU C C 49 175.160 175.160 177.056 -1.896 25642 54 1 . 1 1 49 49 GLU CA C 49 54.500 54.500 55.353 -0.853 25642 55 1 . 1 1 49 49 GLU CB C 49 30.360 30.360 32.627 -2.267 25642 56 1 . 1 1 49 49 GLU H H 49 8.830 8.830 8.477 0.353 25642 57 1 . 1 1 50 50 GLY N N 50 114.250 114.250 114.090 0.160 25642 58 1 . 1 1 50 50 GLY C C 50 170.510 170.510 173.616 -3.106 25642 59 1 . 1 1 50 50 GLY CA C 50 45.060 45.060 45.431 -0.371 25642 60 1 . 1 1 50 50 GLY H H 50 8.320 8.320 8.632 -0.312 25642 61 1 . 1 1 51 51 GLY N N 51 102.740 102.740 109.301 -6.561 25642 62 1 . 1 1 51 51 GLY C C 51 174.230 174.230 173.134 1.096 25642 63 1 . 1 1 51 51 GLY CA C 51 44.880 44.880 45.254 -0.374 25642 64 1 . 1 1 51 51 GLY H H 51 8.000 8.000 7.904 0.096 25642 65 1 . 1 1 52 52 VAL N N 52 122.770 122.770 120.992 1.778 25642 66 1 . 1 1 52 52 VAL C C 52 175.290 175.290 174.607 0.683 25642 67 1 . 1 1 52 52 VAL CA C 52 61.170 61.170 60.123 1.047 25642 68 1 . 1 1 52 52 VAL CB C 52 34.950 34.950 34.625 0.326 25642 69 1 . 1 1 52 52 VAL H H 52 8.550 8.550 8.052 0.498 25642 70 1 . 1 1 53 53 THR N N 53 121.860 121.860 118.168 3.692 25642 71 1 . 1 1 53 53 THR C C 53 173.790 173.790 174.231 -0.441 25642 72 1 . 1 1 53 53 THR CA C 53 60.580 60.580 60.301 0.279 25642 73 1 . 1 1 53 53 THR CB C 53 72.310 72.310 70.320 1.990 25642 74 1 . 1 1 53 53 THR H H 53 9.150 9.150 8.268 0.882 25642 75 1 . 1 1 54 54 GLY N N 54 112.960 112.960 112.938 0.022 25642 76 1 . 1 1 54 54 GLY C C 54 172.530 172.530 172.670 -0.140 25642 77 1 . 1 1 54 54 GLY CA C 54 45.870 45.870 45.404 0.466 25642 78 1 . 1 1 54 54 GLY H H 54 9.080 9.080 8.259 0.821 25642 79 1 . 1 1 55 55 GLU N N 55 118.200 118.200 120.047 -1.847 25642 80 1 . 1 1 55 55 GLU C C 55 177.350 177.350 175.864 1.486 25642 81 1 . 1 1 55 55 GLU CA C 55 56.100 56.100 56.419 -0.319 25642 82 1 . 1 1 55 55 GLU CB C 55 31.140 31.140 30.877 0.263 25642 83 1 . 1 1 55 55 GLU H H 55 8.790 8.790 8.532 0.258 25642 84 1 . 1 1 56 56 GLY N N 56 109.740 109.740 110.187 -0.447 25642 85 1 . 1 1 56 56 GLY C C 56 173.400 173.400 173.031 0.369 25642 86 1 . 1 1 56 56 GLY CA C 56 44.690 44.690 44.812 -0.122 25642 87 1 . 1 1 56 56 GLY H H 56 8.580 8.580 8.215 0.365 25642 88 1 . 1 1 57 57 GLU N N 57 122.180 122.180 121.935 0.245 25642 89 1 . 1 1 57 57 GLU C C 57 175.970 175.970 174.893 1.077 25642 90 1 . 1 1 57 57 GLU CA C 57 55.100 55.100 55.745 -0.645 25642 91 1 . 1 1 57 57 GLU CB C 57 31.770 31.770 31.181 0.589 25642 92 1 . 1 1 57 57 GLU H H 57 8.810 8.810 8.190 0.620 25642 93 1 . 1 1 58 58 LEU N N 58 126.040 126.040 128.261 -2.221 25642 94 1 . 1 1 58 58 LEU C C 58 173.100 173.100 174.291 -1.191 25642 95 1 . 1 1 58 58 LEU CA C 58 53.680 53.680 53.760 -0.080 25642 96 1 . 1 1 58 58 LEU CB C 58 46.440 46.440 44.485 1.955 25642 97 1 . 1 1 58 58 LEU H H 58 8.720 8.720 8.399 0.321 25642 98 1 . 1 1 59 59 GLN N N 59 127.940 127.940 128.066 -0.126 25642 99 1 . 1 1 59 59 GLN C C 59 174.540 174.540 174.220 0.319 25642 100 1 . 1 1 59 59 GLN CA C 59 53.840 53.840 54.325 -0.485 25642 101 1 . 1 1 59 59 GLN CB C 59 29.790 29.790 29.774 0.016 25642 102 1 . 1 1 59 59 GLN H H 59 8.400 8.400 8.461 -0.061 25642 103 1 . 1 1 60 60 ILE N N 60 124.610 124.610 127.189 -2.580 25642 104 1 . 1 1 60 60 ILE C C 60 174.340 174.340 173.212 1.128 25642 105 1 . 1 1 60 60 ILE CA C 60 61.330 61.330 59.169 2.161 25642 106 1 . 1 1 60 60 ILE CB C 60 40.750 40.750 41.457 -0.707 25642 107 1 . 1 1 60 60 ILE H H 60 9.100 9.100 8.325 0.775 25642 108 1 . 1 1 61 61 ASP N N 61 127.350 127.350 127.192 0.158 25642 109 1 . 1 1 61 61 ASP C C 61 176.210 176.210 174.793 1.417 25642 110 1 . 1 1 61 61 ASP CA C 61 53.900 53.900 53.029 0.871 25642 111 1 . 1 1 61 61 ASP CB C 61 42.480 42.480 40.993 1.487 25642 112 1 . 1 1 61 61 ASP H H 61 9.070 9.070 8.231 0.839 25642 113 1 . 1 1 62 62 GLY N N 62 110.340 110.340 107.112 3.228 25642 114 1 . 1 1 62 62 GLY C C 62 170.870 170.870 172.268 -1.398 25642 115 1 . 1 1 62 62 GLY CA C 62 45.490 45.490 44.288 1.202 25642 116 1 . 1 1 62 62 GLY H H 62 6.590 6.590 7.634 -1.044 25642 117 1 . 1 1 63 63 VAL N N 63 122.570 122.570 119.099 3.471 25642 118 1 . 1 1 63 63 VAL C C 63 176.030 176.030 174.695 1.335 25642 119 1 . 1 1 63 63 VAL CA C 63 61.010 61.010 60.385 0.625 25642 120 1 . 1 1 63 63 VAL CB C 63 34.850 34.850 33.404 1.446 25642 121 1 . 1 1 63 63 VAL H H 63 8.070 8.070 7.745 0.325 25642 122 1 . 1 1 64 64 VAL N N 64 125.470 125.470 128.833 -3.363 25642 123 1 . 1 1 64 64 VAL C C 64 174.410 174.410 174.153 0.257 25642 124 1 . 1 1 64 64 VAL CA C 64 61.220 61.220 61.210 0.010 25642 125 1 . 1 1 64 64 VAL CB C 64 35.690 35.690 33.033 2.657 25642 126 1 . 1 1 64 64 VAL H H 64 9.010 9.010 8.134 0.876 25642 127 1 . 1 1 65 65 LYS N N 65 129.120 129.120 128.134 0.986 25642 128 1 . 1 1 65 65 LYS C C 65 175.120 175.120 175.931 -0.811 25642 129 1 . 1 1 65 65 LYS CA C 65 54.310 54.310 54.494 -0.184 25642 130 1 . 1 1 65 65 LYS CB C 65 32.440 32.440 34.673 -2.233 25642 131 1 . 1 1 65 65 LYS H H 65 9.150 9.150 8.142 1.008 25642 132 1 . 1 1 66 66 GLY N N 66 115.020 115.020 112.678 2.342 25642 133 1 . 1 1 66 66 GLY C C 66 170.210 170.210 172.472 -2.262 25642 134 1 . 1 1 66 66 GLY CA C 66 44.480 44.480 44.847 -0.368 25642 135 1 . 1 1 66 66 GLY H H 66 8.300 8.300 8.009 0.291 25642 136 1 . 1 1 67 67 ASP N N 67 115.420 115.420 122.751 -7.331 25642 137 1 . 1 1 67 67 ASP C C 67 176.920 176.920 175.591 1.329 25642 138 1 . 1 1 67 67 ASP CA C 67 53.330 53.330 53.188 0.142 25642 139 1 . 1 1 67 67 ASP CB C 67 41.950 41.950 42.960 -1.010 25642 140 1 . 1 1 67 67 ASP H H 67 7.690 7.690 8.330 -0.640 25642 141 1 . 1 1 68 68 VAL N N 68 122.440 122.440 121.728 0.712 25642 142 1 . 1 1 68 68 VAL C C 68 174.450 174.450 174.139 0.311 25642 143 1 . 1 1 68 68 VAL CA C 68 60.970 60.970 60.858 0.112 25642 144 1 . 1 1 68 68 VAL CB C 68 35.240 35.240 34.488 0.752 25642 145 1 . 1 1 68 68 VAL H H 68 8.930 8.930 8.067 0.863 25642 146 1 . 1 1 69 69 ARG N N 69 130.610 130.610 127.979 2.631 25642 147 1 . 1 1 69 69 ARG C C 69 175.150 175.150 174.186 0.964 25642 148 1 . 1 1 69 69 ARG CA C 69 54.820 54.820 54.564 0.256 25642 149 1 . 1 1 69 69 ARG CB C 69 32.000 32.000 32.981 -0.982 25642 150 1 . 1 1 69 69 ARG H H 69 9.110 9.110 8.484 0.626 25642 151 1 . 1 1 70 70 VAL N N 70 114.530 114.530 123.695 -9.165 25642 152 1 . 1 1 70 70 VAL C C 70 175.440 175.440 174.336 1.104 25642 153 1 . 1 1 70 70 VAL CA C 70 58.400 58.400 60.442 -2.042 25642 154 1 . 1 1 70 70 VAL CB C 70 35.370 35.370 35.738 -0.368 25642 155 1 . 1 1 70 70 VAL H H 70 8.290 8.290 7.759 0.531 25642 156 1 . 1 1 71 71 GLY N N 71 108.150 108.150 109.559 -1.409 25642 157 1 . 1 1 71 71 GLY C C 71 174.710 174.710 173.681 1.029 25642 158 1 . 1 1 71 71 GLY CA C 71 47.900 47.900 46.477 1.423 25642 159 1 . 1 1 71 71 GLY H H 71 8.110 8.110 8.568 -0.458 25642 160 1 . 1 1 72 72 ARG N N 72 120.660 120.660 120.536 0.124 25642 161 1 . 1 1 72 72 ARG C C 72 173.620 173.620 174.116 -0.496 25642 162 1 . 1 1 72 72 ARG CA C 72 55.320 55.320 54.776 0.544 25642 163 1 . 1 1 72 72 ARG CB C 72 33.780 33.780 32.841 0.939 25642 164 1 . 1 1 72 72 ARG H H 72 7.690 7.690 7.870 -0.180 25642 165 1 . 1 1 73 73 LEU N N 73 125.710 125.710 128.103 -2.393 25642 166 1 . 1 1 73 73 LEU C C 73 175.230 175.230 174.812 0.418 25642 167 1 . 1 1 73 73 LEU CA C 73 52.550 52.550 53.772 -1.222 25642 168 1 . 1 1 73 73 LEU CB C 73 46.530 46.530 45.258 1.272 25642 169 1 . 1 1 73 73 LEU H H 73 8.570 8.570 8.586 -0.016 25642 170 1 . 1 1 74 74 THR N N 74 123.150 123.150 123.259 -0.109 25642 171 1 . 1 1 74 74 THR C C 74 173.670 173.670 173.788 -0.118 25642 172 1 . 1 1 74 74 THR CA C 74 61.480 61.480 61.018 0.462 25642 173 1 . 1 1 74 74 THR CB C 74 70.710 70.710 70.021 0.690 25642 174 1 . 1 1 74 74 THR H H 74 8.860 8.860 8.577 0.284 25642 175 1 . 1 1 75 75 VAL N N 75 127.890 127.890 127.362 0.528 25642 176 1 . 1 1 75 75 VAL C C 75 176.800 176.800 176.757 0.043 25642 177 1 . 1 1 75 75 VAL CA C 75 61.130 61.130 62.056 -0.926 25642 178 1 . 1 1 75 75 VAL CB C 75 32.840 32.840 30.822 2.018 25642 179 1 . 1 1 75 75 VAL H H 75 8.910 8.910 8.155 0.755 25642 180 1 . 1 1 76 76 GLY N N 76 116.590 116.590 115.751 0.839 25642 181 1 . 1 1 76 76 GLY C C 76 174.060 174.060 174.331 -0.271 25642 182 1 . 1 1 76 76 GLY CA C 76 45.230 45.230 45.441 -0.211 25642 183 1 . 1 1 76 76 GLY H H 76 8.980 8.980 8.954 0.026 25642 184 1 . 1 1 77 77 GLU N N 77 121.140 121.140 118.515 2.625 25642 185 1 . 1 1 77 77 GLU C C 77 178.620 178.620 178.545 0.075 25642 186 1 . 1 1 77 77 GLU CA C 77 60.500 60.500 58.107 2.393 25642 187 1 . 1 1 77 77 GLU CB C 77 30.120 30.120 29.891 0.229 25642 188 1 . 1 1 77 77 GLU H H 77 9.260 9.260 8.474 0.785 25642 189 1 . 1 1 78 78 THR N N 78 105.330 105.330 113.031 -7.701 25642 190 1 . 1 1 78 78 THR C C 78 174.990 174.990 175.316 -0.326 25642 191 1 . 1 1 78 78 THR CA C 78 62.040 62.040 63.985 -1.945 25642 192 1 . 1 1 78 78 THR CB C 78 69.880 69.880 68.610 1.270 25642 193 1 . 1 1 78 78 THR H H 78 8.010 8.010 8.128 -0.118 25642 194 1 . 1 1 79 79 GLY N N 79 111.420 111.420 109.558 1.862 25642 195 1 . 1 1 79 79 GLY C C 79 174.270 174.270 174.210 0.060 25642 196 1 . 1 1 79 79 GLY CA C 79 45.250 45.250 45.966 -0.716 25642 197 1 . 1 1 79 79 GLY H H 79 8.240 8.240 8.234 0.006 25642 198 1 . 1 1 80 80 HIS N N 80 123.970 123.970 118.352 5.618 25642 199 1 . 1 1 80 80 HIS C C 80 173.800 173.800 173.951 -0.151 25642 200 1 . 1 1 80 80 HIS CA C 80 54.860 54.860 55.071 -0.212 25642 201 1 . 1 1 80 80 HIS CB C 80 35.070 35.070 31.207 3.863 25642 202 1 . 1 1 80 80 HIS H H 80 8.860 8.860 7.570 1.290 25642 203 1 . 1 1 81 81 VAL N N 81 125.720 125.720 125.864 -0.144 25642 204 1 . 1 1 81 81 VAL C C 81 174.580 174.580 173.639 0.941 25642 205 1 . 1 1 81 81 VAL CA C 81 60.660 60.660 62.207 -1.547 25642 206 1 . 1 1 81 81 VAL CB C 81 34.860 34.860 34.520 0.340 25642 207 1 . 1 1 81 81 VAL H H 81 8.900 8.900 8.258 0.642 25642 208 1 . 1 1 82 82 GLU N N 82 129.500 129.500 127.401 2.099 25642 209 1 . 1 1 82 82 GLU C C 82 175.200 175.200 175.522 -0.322 25642 210 1 . 1 1 82 82 GLU CA C 82 53.900 53.900 54.859 -0.959 25642 211 1 . 1 1 82 82 GLU CB C 82 30.870 30.870 32.577 -1.707 25642 212 1 . 1 1 82 82 GLU H H 82 9.270 9.270 8.563 0.707 25642 213 1 . 1 1 83 83 GLY N N 83 114.070 114.070 112.147 1.923 25642 214 1 . 1 1 83 83 GLY C C 83 171.310 171.310 172.192 -0.882 25642 215 1 . 1 1 83 83 GLY CA C 83 44.950 44.950 45.281 -0.331 25642 216 1 . 1 1 83 83 GLY H H 83 8.450 8.450 8.009 0.441 25642 217 1 . 1 1 84 84 SER N N 84 113.810 113.810 117.275 -3.465 25642 218 1 . 1 1 84 84 SER C C 84 173.140 173.140 173.804 -0.664 25642 219 1 . 1 1 84 84 SER CA C 84 57.720 57.720 57.362 0.358 25642 220 1 . 1 1 84 84 SER CB C 84 64.950 64.950 64.385 0.565 25642 221 1 . 1 1 84 84 SER H H 84 8.320 8.320 8.158 0.162 25642 222 1 . 1 1 85 85 VAL N N 85 121.060 121.060 125.831 -4.771 25642 223 1 . 1 1 85 85 VAL C C 85 174.960 174.960 173.764 1.196 25642 224 1 . 1 1 85 85 VAL CA C 85 60.420 60.420 61.282 -0.862 25642 225 1 . 1 1 85 85 VAL CB C 85 34.900 34.900 33.577 1.323 25642 226 1 . 1 1 85 85 VAL H H 85 8.730 8.730 8.003 0.727 25642 227 1 . 1 1 86 86 TYR N N 86 129.090 129.090 126.673 2.417 25642 228 1 . 1 1 86 86 TYR C C 86 174.420 174.420 174.487 -0.067 25642 229 1 . 1 1 86 86 TYR CA C 86 56.460 56.460 56.160 0.300 25642 230 1 . 1 1 86 86 TYR CB C 86 40.850 40.850 40.859 -0.009 25642 231 1 . 1 1 86 86 TYR H H 86 9.580 9.580 8.730 0.850 25642 232 1 . 1 1 87 87 ALA N N 87 122.670 122.670 125.708 -3.038 25642 233 1 . 1 1 87 87 ALA C C 87 177.320 177.320 175.763 1.557 25642 234 1 . 1 1 87 87 ALA CA C 87 51.260 51.260 51.103 0.157 25642 235 1 . 1 1 87 87 ALA CB C 87 22.450 22.450 21.942 0.508 25642 236 1 . 1 1 87 87 ALA H H 87 8.080 8.080 8.298 -0.218 25642 237 1 . 1 1 88 88 GLU N N 88 120.180 120.180 118.971 1.209 25642 238 1 . 1 1 88 88 GLU C C 88 177.310 177.310 176.353 0.957 25642 239 1 . 1 1 88 88 GLU CA C 88 59.190 59.190 58.020 1.170 25642 240 1 . 1 1 88 88 GLU CB C 88 29.650 29.650 31.070 -1.420 25642 241 1 . 1 1 88 88 GLU H H 88 8.640 8.640 8.365 0.275 25642 242 1 . 1 1 89 89 ALA N N 89 118.770 118.770 119.552 -0.782 25642 243 1 . 1 1 89 89 ALA C C 89 175.890 175.890 175.098 0.792 25642 244 1 . 1 1 89 89 ALA CA C 89 51.510 51.510 50.622 0.888 25642 245 1 . 1 1 89 89 ALA CB C 89 22.270 22.270 22.677 -0.407 25642 246 1 . 1 1 89 89 ALA H H 89 7.340 7.340 7.798 -0.458 25642 247 1 . 1 1 90 90 VAL N N 90 119.720 119.720 120.494 -0.774 25642 248 1 . 1 1 90 90 VAL C C 90 174.710 174.710 174.010 0.700 25642 249 1 . 1 1 90 90 VAL CA C 90 60.520 60.520 60.885 -0.365 25642 250 1 . 1 1 90 90 VAL CB C 90 35.990 35.990 35.327 0.663 25642 251 1 . 1 1 90 90 VAL H H 90 8.490 8.490 8.043 0.447 25642 252 1 . 1 1 91 91 GLU N N 91 128.200 128.200 127.498 0.702 25642 253 1 . 1 1 91 91 GLU C C 91 175.470 175.470 175.640 -0.170 25642 254 1 . 1 1 91 91 GLU CA C 91 54.790 54.790 54.554 0.236 25642 255 1 . 1 1 91 91 GLU CB C 91 32.680 32.680 31.946 0.734 25642 256 1 . 1 1 91 91 GLU H H 91 9.070 9.070 8.658 0.412 25642 257 1 . 1 1 92 92 VAL N N 92 122.080 122.080 124.896 -2.816 25642 258 1 . 1 1 92 92 VAL C C 92 174.490 174.490 175.326 -0.836 25642 259 1 . 1 1 92 92 VAL CA C 92 62.660 62.660 61.906 0.754 25642 260 1 . 1 1 92 92 VAL CB C 92 33.090 33.090 32.496 0.594 25642 261 1 . 1 1 92 92 VAL H H 92 9.450 9.450 8.298 1.152 25642 262 1 . 1 1 93 93 ARG N N 93 123.900 123.900 123.297 0.603 25642 263 1 . 1 1 93 93 ARG C C 93 176.280 176.280 175.176 1.104 25642 264 1 . 1 1 93 93 ARG CA C 93 56.290 56.290 55.253 1.037 25642 265 1 . 1 1 93 93 ARG CB C 93 30.890 30.890 31.883 -0.993 25642 266 1 . 1 1 93 93 ARG H H 93 9.200 9.200 8.239 0.961 25642 267 1 . 1 1 94 94 GLY N N 94 111.100 111.100 106.047 5.053 25642 268 1 . 1 1 94 94 GLY C C 94 170.710 170.710 172.180 -1.470 25642 269 1 . 1 1 94 94 GLY CA C 94 45.790 45.790 45.011 0.779 25642 270 1 . 1 1 94 94 GLY H H 94 6.250 6.250 7.973 -1.723 25642 271 1 . 1 1 95 95 ARG N N 95 126.190 126.190 119.765 6.425 25642 272 1 . 1 1 95 95 ARG C C 95 175.570 175.570 174.656 0.914 25642 273 1 . 1 1 95 95 ARG CA C 95 54.670 54.670 55.697 -1.027 25642 274 1 . 1 1 95 95 ARG CB C 95 33.920 33.920 32.689 1.231 25642 275 1 . 1 1 95 95 ARG H H 95 8.140 8.140 7.797 0.343 25642 276 1 . 1 1 96 96 VAL N N 96 124.800 124.800 123.625 1.175 25642 277 1 . 1 1 96 96 VAL C C 96 174.070 174.070 173.491 0.579 25642 278 1 . 1 1 96 96 VAL CA C 96 61.160 61.160 60.294 0.865 25642 279 1 . 1 1 96 96 VAL CB C 96 35.860 35.860 35.120 0.740 25642 280 1 . 1 1 96 96 VAL H H 96 9.430 9.430 8.833 0.597 25642 281 1 . 1 1 97 97 VAL N N 97 128.010 128.010 124.701 3.309 25642 282 1 . 1 1 97 97 VAL C C 97 176.430 176.430 174.497 1.933 25642 283 1 . 1 1 97 97 VAL CA C 97 61.080 61.080 59.762 1.318 25642 284 1 . 1 1 97 97 VAL CB C 97 33.630 33.630 33.272 0.358 25642 285 1 . 1 1 97 97 VAL H H 97 9.260 9.260 8.676 0.584 25642 286 1 . 1 1 98 98 GLY N N 98 116.340 116.340 115.250 1.090 25642 287 1 . 1 1 98 98 GLY C C 98 171.770 171.770 172.087 -0.317 25642 288 1 . 1 1 98 98 GLY CA C 98 45.890 45.890 46.249 -0.359 25642 289 1 . 1 1 98 98 GLY H H 98 8.600 8.600 8.349 0.251 25642 290 1 . 1 1 99 99 ALA N N 99 124.110 124.110 123.441 0.669 25642 291 1 . 1 1 99 99 ALA C C 99 176.060 176.060 174.678 1.382 25642 292 1 . 1 1 99 99 ALA CA C 99 51.690 51.690 51.731 -0.041 25642 293 1 . 1 1 99 99 ALA CB C 99 21.700 21.700 22.199 -0.499 25642 294 1 . 1 1 99 99 ALA H H 99 8.110 8.110 7.752 0.358 25642 295 1 . 1 1 100 100 ILE N N 100 119.340 119.340 119.152 0.188 25642 296 1 . 1 1 100 100 ILE C C 100 174.770 174.770 173.478 1.292 25642 297 1 . 1 1 100 100 ILE CA C 100 60.620 60.620 59.802 0.818 25642 298 1 . 1 1 100 100 ILE CB C 100 42.320 42.320 41.818 0.502 25642 299 1 . 1 1 100 100 ILE H H 100 8.910 8.910 8.162 0.748 25642 300 1 . 1 1 101 101 THR N N 101 127.010 127.010 123.041 3.969 25642 301 1 . 1 1 101 101 THR C C 101 173.980 173.980 173.416 0.564 25642 302 1 . 1 1 101 101 THR CA C 101 61.620 61.620 61.287 0.333 25642 303 1 . 1 1 101 101 THR CB C 101 69.700 69.700 70.546 -0.846 25642 304 1 . 1 1 101 101 THR H H 101 8.950 8.950 8.545 0.405 25642 305 1 . 1 1 102 102 SER N N 102 119.870 119.870 120.929 -1.059 25642 306 1 . 1 1 102 102 SER C C 102 174.000 174.000 173.634 0.366 25642 307 1 . 1 1 102 102 SER CA C 102 56.190 56.190 56.926 -0.736 25642 308 1 . 1 1 102 102 SER CB C 102 64.710 64.710 66.436 -1.726 25642 309 1 . 1 1 102 102 SER H H 102 8.800 8.800 8.393 0.407 25642 310 1 . 1 1 103 103 LYS N N 103 124.650 124.650 121.286 3.364 25642 311 1 . 1 1 103 103 LYS C C 103 177.200 177.200 176.499 0.701 25642 312 1 . 1 1 103 103 LYS CA C 103 61.300 61.300 57.831 3.469 25642 313 1 . 1 1 103 103 LYS CB C 103 32.510 32.510 33.400 -0.890 25642 314 1 . 1 1 103 103 LYS H H 103 7.560 7.560 8.503 -0.943 25642 315 1 . 1 1 104 104 GLN N N 104 115.370 115.370 116.908 -1.538 25642 316 1 . 1 1 104 104 GLN C C 104 174.650 174.650 174.057 0.593 25642 317 1 . 1 1 104 104 GLN CA C 104 54.860 54.860 54.557 0.303 25642 318 1 . 1 1 104 104 GLN CB C 104 31.880 31.880 32.682 -0.802 25642 319 1 . 1 1 104 104 GLN H H 104 7.650 7.650 7.845 -0.195 25642 320 1 . 1 1 105 105 VAL N N 105 125.510 125.510 123.038 2.472 25642 321 1 . 1 1 105 105 VAL C C 105 174.530 174.530 173.889 0.641 25642 322 1 . 1 1 105 105 VAL CA C 105 60.920 60.920 60.733 0.187 25642 323 1 . 1 1 105 105 VAL CB C 105 35.000 35.000 35.221 -0.220 25642 324 1 . 1 1 105 105 VAL H H 105 8.670 8.670 8.207 0.463 25642 325 1 . 1 1 106 106 ARG CA C 106 55.050 55.050 54.201 0.849 25642 326 1 . 1 1 106 106 ARG CB C 106 33.740 33.740 32.921 0.819 25642 327 1 . 1 1 106 106 ARG H H 106 8.560 8.560 8.586 -0.026 25642 328 1 . 1 1 107 107 LEU N N 107 125.820 125.820 126.361 -0.540 25642 329 1 . 1 1 107 107 LEU C C 107 176.190 176.190 175.324 0.866 25642 330 1 . 1 1 107 107 LEU CA C 107 53.570 53.570 54.163 -0.593 25642 331 1 . 1 1 107 107 LEU CB C 107 41.130 41.130 40.544 0.586 25642 332 1 . 1 1 107 107 LEU H H 107 8.730 8.730 8.208 0.522 25642 333 1 . 1 1 108 108 TYR N N 108 120.870 120.870 123.834 -2.964 25642 334 1 . 1 1 108 108 TYR C C 108 178.880 178.880 177.094 1.786 25642 335 1 . 1 1 108 108 TYR CA C 108 59.530 59.530 58.422 1.108 25642 336 1 . 1 1 108 108 TYR CB C 108 39.780 39.780 40.489 -0.709 25642 337 1 . 1 1 108 108 TYR H H 108 8.280 8.280 7.952 0.328 25642 338 1 . 1 1 109 109 GLY N N 109 112.380 112.380 109.818 2.562 25642 339 1 . 1 1 109 109 GLY C C 109 172.330 172.330 175.205 -2.875 25642 340 1 . 1 1 109 109 GLY CA C 109 47.280 47.280 45.457 1.823 25642 341 1 . 1 1 109 109 GLY H H 109 10.080 10.080 8.772 1.308 25642 342 1 . 1 1 110 110 THR N N 110 103.280 103.280 115.815 -12.535 25642 343 1 . 1 1 110 110 THR C C 110 175.370 175.370 174.847 0.523 25642 344 1 . 1 1 110 110 THR CA C 110 61.220 61.220 61.999 -0.779 25642 345 1 . 1 1 110 110 THR CB C 110 70.160 70.160 67.849 2.311 25642 346 1 . 1 1 110 110 THR H H 110 6.910 6.910 8.520 -1.610 25642 347 1 . 1 1 111 111 SER N N 111 118.040 118.040 117.254 0.786 25642 348 1 . 1 1 111 111 SER C C 111 174.740 174.740 173.400 1.340 25642 349 1 . 1 1 111 111 SER CA C 111 59.070 59.070 59.790 -0.720 25642 350 1 . 1 1 111 111 SER CB C 111 67.870 67.870 64.046 3.824 25642 351 1 . 1 1 111 111 SER H H 111 7.960 7.960 7.890 0.070 25642 352 1 . 1 1 112 112 TYR N N 112 124.220 124.220 123.934 0.286 25642 353 1 . 1 1 112 112 TYR C C 112 174.090 174.090 173.737 0.353 25642 354 1 . 1 1 112 112 TYR CA C 112 57.410 57.410 57.090 0.320 25642 355 1 . 1 1 112 112 TYR CB C 112 41.690 41.690 42.528 -0.838 25642 356 1 . 1 1 112 112 TYR H H 112 8.720 8.720 8.233 0.487 25642 357 1 . 1 1 113 113 VAL N N 113 129.090 129.090 126.939 2.151 25642 358 1 . 1 1 113 113 VAL C C 113 173.870 173.870 173.957 -0.087 25642 359 1 . 1 1 113 113 VAL CA C 113 61.040 61.040 60.655 0.385 25642 360 1 . 1 1 113 113 VAL CB C 113 34.930 34.930 34.129 0.801 25642 361 1 . 1 1 113 113 VAL H H 113 9.640 9.640 7.991 1.649 25642 362 1 . 1 1 114 114 ASP N N 114 127.460 127.460 126.390 1.070 25642 363 1 . 1 1 114 114 ASP C C 114 176.250 176.250 175.326 0.924 25642 364 1 . 1 1 114 114 ASP CA C 114 51.470 51.470 52.783 -1.313 25642 365 1 . 1 1 114 114 ASP CB C 114 43.220 43.220 43.335 -0.115 25642 366 1 . 1 1 114 114 ASP H H 114 8.630 8.630 8.034 0.596 25642 367 1 . 1 1 115 115 GLY N N 115 113.040 113.040 111.250 1.790 25642 368 1 . 1 1 115 115 GLY C C 115 171.140 171.140 172.386 -1.246 25642 369 1 . 1 1 115 115 GLY CA C 115 45.150 45.150 45.053 0.097 25642 370 1 . 1 1 115 115 GLY H H 115 8.880 8.880 8.096 0.784 25642 371 1 . 1 1 116 116 ASP N N 116 117.450 117.450 122.769 -5.319 25642 372 1 . 1 1 116 116 ASP C C 116 176.850 176.850 175.451 1.399 25642 373 1 . 1 1 116 116 ASP CA C 116 53.360 53.360 53.663 -0.303 25642 374 1 . 1 1 116 116 ASP CB C 116 42.370 42.370 41.724 0.646 25642 375 1 . 1 1 116 116 ASP H H 116 7.390 7.390 8.033 -0.643 25642 376 1 . 1 1 117 117 ILE N N 117 121.440 121.440 126.003 -4.563 25642 377 1 . 1 1 117 117 ILE C C 117 176.780 176.780 174.538 2.242 25642 378 1 . 1 1 117 117 ILE CA C 117 60.720 60.720 59.832 0.888 25642 379 1 . 1 1 117 117 ILE CB C 117 38.630 38.630 40.885 -2.255 25642 380 1 . 1 1 117 117 ILE H H 117 9.200 9.200 8.027 1.173 25642 381 1 . 1 1 118 118 THR N N 118 131.550 131.550 123.373 8.177 25642 382 1 . 1 1 118 118 THR C C 118 173.630 173.630 172.917 0.713 25642 383 1 . 1 1 118 118 THR CA C 118 62.110 62.110 61.274 0.836 25642 384 1 . 1 1 118 118 THR CB C 118 67.860 67.860 69.985 -2.125 25642 385 1 . 1 1 118 118 THR H H 118 9.560 9.560 8.251 1.309 25642 386 1 . 1 1 119 119 HIS N N 119 121.300 121.300 122.569 -1.269 25642 387 1 . 1 1 119 119 HIS C C 119 174.780 174.780 174.078 0.702 25642 388 1 . 1 1 119 119 HIS CA C 119 55.850 55.850 53.817 2.033 25642 389 1 . 1 1 119 119 HIS CB C 119 32.550 32.550 31.974 0.576 25642 390 1 . 1 1 119 119 HIS H H 119 8.290 8.290 8.148 0.142 25642 391 1 . 1 1 120 120 GLU N N 120 118.130 118.130 119.042 -0.912 25642 392 1 . 1 1 120 120 GLU C C 120 177.120 177.120 176.763 0.357 25642 393 1 . 1 1 120 120 GLU CA C 120 58.780 58.780 57.183 1.597 25642 394 1 . 1 1 120 120 GLU CB C 120 30.300 30.300 30.745 -0.445 25642 395 1 . 1 1 120 120 GLU H H 120 7.710 7.710 8.646 -0.936 25642 396 1 . 1 1 121 121 GLN N N 121 117.670 117.670 118.105 -0.435 25642 397 1 . 1 1 121 121 GLN C C 121 172.760 172.760 174.060 -1.300 25642 398 1 . 1 1 121 121 GLN CA C 121 55.880 55.880 54.716 1.164 25642 399 1 . 1 1 121 121 GLN CB C 121 32.580 32.580 31.322 1.258 25642 400 1 . 1 1 121 121 GLN H H 121 8.950 8.950 7.797 1.153 25642 401 1 . 1 1 122 122 LEU N N 122 126.250 126.250 119.232 7.018 25642 402 1 . 1 1 122 122 LEU C C 122 173.300 173.300 175.520 -2.220 25642 403 1 . 1 1 122 122 LEU CA C 122 53.820 53.820 53.189 0.631 25642 404 1 . 1 1 122 122 LEU CB C 122 45.450 45.450 45.048 0.402 25642 405 1 . 1 1 122 122 LEU H H 122 8.660 8.660 8.323 0.337 25642 406 1 . 1 1 123 123 ALA N N 123 126.670 126.670 125.584 1.086 25642 407 1 . 1 1 123 123 ALA C C 123 175.940 175.940 175.548 0.392 25642 408 1 . 1 1 123 123 ALA CA C 123 49.570 49.570 51.560 -1.990 25642 409 1 . 1 1 123 123 ALA CB C 123 22.350 22.350 21.895 0.455 25642 410 1 . 1 1 123 123 ALA H H 123 8.090 8.090 8.605 -0.515 25642 411 1 . 1 1 124 124 MET N N 124 119.800 119.800 121.214 -1.414 25642 412 1 . 1 1 124 124 MET C C 124 174.960 174.960 175.307 -0.347 25642 413 1 . 1 1 124 124 MET CA C 124 54.770 54.770 53.767 1.003 25642 414 1 . 1 1 124 124 MET CB C 124 37.620 37.620 33.401 4.219 25642 415 1 . 1 1 124 124 MET H H 124 8.810 8.810 8.474 0.336 25642 416 1 . 1 1 125 125 GLU N N 125 125.500 125.500 123.531 1.969 25642 417 1 . 1 1 125 125 GLU C C 125 175.410 175.410 175.702 -0.292 25642 418 1 . 1 1 125 125 GLU CA C 125 54.670 54.670 54.080 0.590 25642 419 1 . 1 1 125 125 GLU CB C 125 31.510 31.510 31.852 -0.342 25642 420 1 . 1 1 125 125 GLU H H 125 8.760 8.760 8.210 0.550 25642 421 1 . 1 1 126 126 THR N N 126 118.440 118.440 115.981 2.459 25642 422 1 . 1 1 126 126 THR C C 126 174.300 174.300 175.083 -0.783 25642 423 1 . 1 1 126 126 THR CA C 126 65.870 65.870 64.614 1.256 25642 424 1 . 1 1 126 126 THR CB C 126 69.050 69.050 69.078 -0.028 25642 425 1 . 1 1 127 127 GLY N N 127 116.970 116.970 111.829 5.141 25642 426 1 . 1 1 127 127 GLY C C 127 175.320 175.320 172.928 2.392 25642 427 1 . 1 1 127 127 GLY CA C 127 45.000 45.000 45.011 -0.011 25642 428 1 . 1 1 128 128 ALA N N 128 124.190 124.190 123.390 0.800 25642 429 1 . 1 1 128 128 ALA C C 128 177.670 177.670 175.860 1.810 25642 430 1 . 1 1 128 128 ALA CA C 128 53.640 53.640 51.331 2.309 25642 431 1 . 1 1 128 128 ALA CB C 128 19.750 19.750 19.632 0.118 25642 432 1 . 1 1 128 128 ALA H H 128 7.930 7.930 7.295 0.635 25642 433 1 . 1 1 129 129 PHE N N 129 127.300 127.300 125.689 1.611 25642 434 1 . 1 1 129 129 PHE C C 129 173.400 173.400 173.387 0.013 25642 435 1 . 1 1 129 129 PHE CA C 129 56.890 56.890 56.750 0.140 25642 436 1 . 1 1 129 129 PHE CB C 129 40.520 40.520 41.565 -1.045 25642 437 1 . 1 1 129 129 PHE H H 129 8.550 8.550 8.478 0.072 25642 438 1 . 1 1 130 130 PHE N N 130 131.220 131.220 122.388 8.832 25642 439 1 . 1 1 130 130 PHE C C 130 173.550 173.550 174.177 -0.627 25642 440 1 . 1 1 130 130 PHE CA C 130 53.370 53.370 55.700 -2.330 25642 441 1 . 1 1 130 130 PHE CB C 130 40.460 40.460 41.182 -0.722 25642 442 1 . 1 1 130 130 PHE H H 130 8.860 8.860 8.180 0.680 25642 443 1 . 1 1 131 131 GLN N N 131 130.230 130.230 125.560 4.670 25642 444 1 . 1 1 131 131 GLN C C 131 173.350 173.350 174.585 -1.235 25642 445 1 . 1 1 131 131 GLN CA C 131 53.420 53.420 54.603 -1.183 25642 446 1 . 1 1 131 131 GLN CB C 131 33.000 33.000 30.353 2.647 25642 447 1 . 1 1 131 131 GLN H H 131 8.840 8.840 8.344 0.496 25642 448 1 . 1 1 132 132 GLY N N 132 112.460 112.460 109.043 3.417 25642 449 1 . 1 1 132 132 GLY C C 132 172.750 172.750 172.724 0.026 25642 450 1 . 1 1 132 132 GLY CA C 132 44.470 44.470 45.015 -0.545 25642 451 1 . 1 1 133 133 ARG N N 133 119.950 119.950 120.409 -0.459 25642 452 1 . 1 1 133 133 ARG C C 133 173.910 173.910 175.564 -1.654 25642 453 1 . 1 1 133 133 ARG CA C 133 55.870 55.870 55.554 0.316 25642 454 1 . 1 1 133 133 ARG CB C 133 32.190 32.190 30.595 1.595 25642 455 1 . 1 1 133 133 ARG H H 133 8.470 8.470 8.193 0.277 25642 456 1 . 1 1 134 134 SER N N 134 119.120 119.120 120.369 -1.249 25642 457 1 . 1 1 134 134 SER C C 134 174.260 174.260 174.058 0.202 25642 458 1 . 1 1 134 134 SER CA C 134 57.140 57.140 57.767 -0.627 25642 459 1 . 1 1 134 134 SER CB C 134 63.450 63.450 64.145 -0.695 25642 460 1 . 1 1 134 134 SER H H 134 8.680 8.680 8.594 0.086 25642 461 1 . 1 1 135 135 LEU N N 135 127.740 127.740 128.359 -0.619 25642 462 1 . 1 1 135 135 LEU C C 135 174.990 174.990 175.758 -0.768 25642 463 1 . 1 1 135 135 LEU CA C 135 53.220 53.220 54.038 -0.818 25642 464 1 . 1 1 135 135 LEU CB C 135 45.180 45.180 42.708 2.472 25642 465 1 . 1 1 135 135 LEU H H 135 8.560 8.560 8.447 0.113 25642 466 1 . 1 1 136 136 LYS N N 136 118.190 118.190 123.907 -5.717 25642 467 1 . 1 1 136 136 LYS C C 136 178.030 178.030 176.238 1.792 25642 468 1 . 1 1 136 136 LYS CA C 136 52.060 52.060 55.159 -3.099 25642 469 1 . 1 1 136 136 LYS CB C 136 32.010 32.010 33.121 -1.111 25642 470 1 . 1 1 136 136 LYS H H 136 8.180 8.180 8.414 -0.234 25642 471 1 . 1 1 137 137 PHE N N 137 121.570 121.570 124.710 -3.140 25642 472 1 . 1 1 137 137 PHE C C 137 176.370 176.370 175.591 0.779 25642 473 1 . 1 1 137 137 PHE CA C 137 58.940 58.940 58.542 0.398 25642 474 1 . 1 1 137 137 PHE CB C 137 39.730 39.730 39.612 0.118 25642 475 1 . 1 1 137 137 PHE H H 137 7.800 7.800 8.463 -0.663 25642 476 1 . 1 1 138 138 GLN N N 138 123.070 123.070 123.890 -0.820 25642 477 1 . 1 1 138 138 GLN H H 138 8.560 8.560 8.170 0.390 25642 stop_ save_