data_25404 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25404 _Entry.PDB_ID 2MXD 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 25404 _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 1 946 946 ALA HA H 946 4.400 4.400 4.113 0.287 25404 2 1 1 . 1 1 946 946 ALA C C 946 177.730 177.730 177.952 -0.222 25404 3 1 1 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.197 0.748 25404 4 1 1 . 1 1 946 946 ALA CB C 946 19.770 19.770 18.992 0.778 25404 5 1 1 . 1 1 946 946 ALA H H 946 8.480 8.480 8.237 0.243 25404 6 1 1 . 1 1 947 947 MET N N 947 119.619 119.619 115.421 4.198 25404 7 1 1 . 1 1 947 947 MET HA H 947 4.520 4.520 4.114 0.406 25404 8 1 1 . 1 1 947 947 MET C C 947 175.878 175.878 175.486 0.392 25404 9 1 1 . 1 1 947 947 MET CA C 947 55.676 55.676 55.536 0.140 25404 10 1 1 . 1 1 947 947 MET CB C 947 33.450 33.450 30.648 2.802 25404 11 1 1 . 1 1 947 947 MET H H 947 8.468 8.468 8.283 0.185 25404 12 1 1 . 1 1 948 948 ALA N N 948 125.737 125.737 121.350 4.387 25404 13 1 1 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.223 -0.056 25404 14 1 1 . 1 1 948 948 ALA C C 948 177.203 177.203 178.177 -0.974 25404 15 1 1 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.268 0.542 25404 16 1 1 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.748 -0.226 25404 17 1 1 . 1 1 948 948 ALA H H 948 8.432 8.432 7.590 0.842 25404 18 1 1 . 1 1 949 949 ILE N N 949 119.982 119.982 118.215 1.767 25404 19 1 1 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.053 0.147 25404 20 1 1 . 1 1 949 949 ILE C C 949 175.237 175.237 175.845 -0.608 25404 21 1 1 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.780 -0.380 25404 22 1 1 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.072 1.388 25404 23 1 1 . 1 1 949 949 ILE H H 949 8.049 8.049 8.223 -0.174 25404 24 1 1 . 1 1 950 950 ALA N N 950 127.463 127.463 129.199 -1.736 25404 25 1 1 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.433 0.077 25404 26 1 1 . 1 1 950 950 ALA C C 950 176.693 176.693 176.976 -0.283 25404 27 1 1 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.847 0.244 25404 28 1 1 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.022 1.038 25404 29 1 1 . 1 1 950 950 ALA H H 950 8.286 8.286 8.381 -0.095 25404 30 1 1 . 1 1 951 951 LEU N N 951 120.899 120.899 121.219 -0.320 25404 31 1 1 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.365 0.235 25404 32 1 1 . 1 1 951 951 LEU C C 951 177.680 177.680 176.749 0.931 25404 33 1 1 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.898 -0.297 25404 34 1 1 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.676 1.524 25404 35 1 1 . 1 1 951 951 LEU H H 951 8.098 8.098 7.686 0.412 25404 36 1 1 . 1 1 952 952 ARG N N 952 122.793 122.793 121.880 0.913 25404 37 1 1 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.321 0.236 25404 38 1 1 . 1 1 952 952 ARG C C 952 177.543 177.543 177.178 0.365 25404 39 1 1 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.960 0.316 25404 40 1 1 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.919 1.911 25404 41 1 1 . 1 1 952 952 ARG H H 952 9.312 9.312 8.363 0.949 25404 42 1 1 . 1 1 953 953 ASP N N 953 122.129 122.129 121.329 0.800 25404 43 1 1 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.428 0.062 25404 44 1 1 . 1 1 953 953 ASP C C 953 177.472 177.472 178.187 -0.715 25404 45 1 1 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.042 0.044 25404 46 1 1 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.326 0.154 25404 47 1 1 . 1 1 953 953 ASP H H 953 8.959 8.959 8.844 0.115 25404 48 1 1 . 1 1 954 954 ASP N N 954 116.531 116.531 118.865 -2.334 25404 49 1 1 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.489 0.141 25404 50 1 1 . 1 1 954 954 ASP C C 954 178.707 178.707 178.505 0.202 25404 51 1 1 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.426 -0.525 25404 52 1 1 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.244 -0.144 25404 53 1 1 . 1 1 954 954 ASP H H 954 8.776 8.776 8.648 0.128 25404 54 1 1 . 1 1 955 955 GLU N N 955 121.514 121.514 120.336 1.178 25404 55 1 1 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.462 0.088 25404 56 1 1 . 1 1 955 955 GLU C C 955 177.302 177.302 179.079 -1.777 25404 57 1 1 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.188 0.131 25404 58 1 1 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.181 2.659 25404 59 1 1 . 1 1 955 955 GLU H H 955 7.692 7.692 8.702 -1.010 25404 60 1 1 . 1 1 956 956 TYR N N 956 120.780 120.780 121.467 -0.687 25404 61 1 1 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.257 0.033 25404 62 1 1 . 1 1 956 956 TYR C C 956 177.098 177.098 177.579 -0.481 25404 63 1 1 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.955 0.995 25404 64 1 1 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.553 -0.141 25404 65 1 1 . 1 1 956 956 TYR H H 956 8.425 8.425 8.757 -0.332 25404 66 1 1 . 1 1 957 957 ASP N N 957 118.102 118.102 118.645 -0.543 25404 67 1 1 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.296 0.074 25404 68 1 1 . 1 1 957 957 ASP C C 957 177.919 177.919 178.951 -1.032 25404 69 1 1 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.765 -0.111 25404 70 1 1 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.405 0.126 25404 71 1 1 . 1 1 957 957 ASP H H 957 8.169 8.169 8.022 0.147 25404 72 1 1 . 1 1 958 958 GLU N N 958 121.150 121.150 121.056 0.094 25404 73 1 1 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.178 -0.118 25404 74 1 1 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.354 1.756 25404 75 1 1 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.703 1.127 25404 76 1 1 . 1 1 958 958 GLU H H 958 7.782 7.782 7.969 -0.187 25404 77 1 1 . 1 1 959 959 TRP N N 959 120.489 120.489 121.992 -1.503 25404 78 1 1 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.690 -0.321 25404 79 1 1 . 1 1 959 959 TRP C C 959 176.651 176.651 177.780 -1.129 25404 80 1 1 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.926 -2.135 25404 81 1 1 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.068 -1.298 25404 82 1 1 . 1 1 959 959 TRP H H 959 8.089 8.089 8.424 -0.335 25404 83 1 1 . 1 1 960 960 GLN N N 960 113.509 113.509 116.716 -3.207 25404 84 1 1 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.234 -0.114 25404 85 1 1 . 1 1 960 960 GLN C C 960 179.089 179.089 178.570 0.519 25404 86 1 1 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.493 -0.162 25404 87 1 1 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.439 1.032 25404 88 1 1 . 1 1 960 960 GLN H H 960 7.946 7.946 7.895 0.051 25404 89 1 1 . 1 1 961 961 ASP N N 961 120.534 120.534 120.891 -0.357 25404 90 1 1 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.356 0.164 25404 91 1 1 . 1 1 961 961 ASP C C 961 177.660 177.660 178.705 -1.045 25404 92 1 1 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.407 0.052 25404 93 1 1 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.707 -0.337 25404 94 1 1 . 1 1 961 961 ASP H H 961 8.253 8.253 8.076 0.177 25404 95 1 1 . 1 1 962 962 ILE N N 962 124.280 124.280 121.022 3.258 25404 96 1 1 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.150 -0.080 25404 97 1 1 . 1 1 962 962 ILE C C 962 177.301 177.301 177.056 0.245 25404 98 1 1 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.268 1.832 25404 99 1 1 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.716 -0.946 25404 100 1 1 . 1 1 962 962 ILE H H 962 8.600 8.600 7.853 0.747 25404 101 1 1 . 1 1 963 963 ILE N N 963 121.368 121.368 120.481 0.887 25404 102 1 1 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.587 0.273 25404 103 1 1 . 1 1 963 963 ILE C C 963 179.751 179.751 177.940 1.811 25404 104 1 1 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.188 -0.079 25404 105 1 1 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.511 0.979 25404 106 1 1 . 1 1 963 963 ILE H H 963 7.377 7.377 7.487 -0.110 25404 107 1 1 . 1 1 964 964 ARG N N 964 119.627 119.627 119.474 0.153 25404 108 1 1 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.838 0.232 25404 109 1 1 . 1 1 964 964 ARG C C 964 179.065 179.065 177.960 1.105 25404 110 1 1 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.497 -0.343 25404 111 1 1 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.868 0.932 25404 112 1 1 . 1 1 964 964 ARG H H 964 7.209 7.209 7.687 -0.478 25404 113 1 1 . 1 1 965 965 ASP N N 965 119.847 119.847 118.144 1.703 25404 114 1 1 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.274 0.346 25404 115 1 1 . 1 1 965 965 ASP C C 965 178.787 178.787 177.015 1.772 25404 116 1 1 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.458 0.959 25404 117 1 1 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.388 0.227 25404 118 1 1 . 1 1 965 965 ASP H H 965 9.098 9.098 7.568 1.530 25404 119 1 1 . 1 1 966 966 TRP N N 966 118.678 118.678 117.156 1.522 25404 120 1 1 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.600 0.140 25404 121 1 1 . 1 1 966 966 TRP C C 966 176.094 176.094 176.917 -0.823 25404 122 1 1 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.559 0.284 25404 123 1 1 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.980 -1.380 25404 124 1 1 . 1 1 966 966 TRP H H 966 9.253 9.253 7.165 2.088 25404 125 1 1 . 1 1 967 967 ARG N N 967 116.998 116.998 113.602 3.396 25404 126 1 1 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.818 0.212 25404 127 1 1 . 1 1 967 967 ARG C C 967 174.965 174.965 174.714 0.251 25404 128 1 1 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.754 -0.748 25404 129 1 1 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.775 -0.809 25404 130 1 1 . 1 1 967 967 ARG H H 967 7.762 7.762 8.140 -0.379 25404 131 1 1 . 1 1 968 968 LYS N N 968 117.708 117.708 117.761 -0.053 25404 132 1 1 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.564 0.076 25404 133 1 1 . 1 1 968 968 LYS C C 968 174.258 174.258 174.997 -0.739 25404 134 1 1 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.449 0.790 25404 135 1 1 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.886 1.228 25404 136 1 1 . 1 1 968 968 LYS H H 968 7.462 7.462 7.520 -0.058 25404 137 1 1 . 1 1 969 969 GLU N N 969 123.352 123.352 123.950 -0.598 25404 138 1 1 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.146 0.021 25404 139 1 1 . 1 1 969 969 GLU C C 969 175.962 175.962 175.903 0.059 25404 140 1 1 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.941 0.205 25404 141 1 1 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.099 -0.599 25404 142 1 1 . 1 1 969 969 GLU H H 969 8.559 8.559 8.692 -0.133 25404 143 1 1 . 1 1 970 970 MET N N 970 121.247 121.247 122.600 -1.353 25404 144 1 1 . 1 1 970 970 MET HA H 970 4.920 4.920 4.988 -0.068 25404 145 1 1 . 1 1 970 970 MET C C 970 176.884 176.884 175.134 1.750 25404 146 1 1 . 1 1 970 970 MET CA C 970 55.546 55.546 53.375 2.171 25404 147 1 1 . 1 1 970 970 MET CB C 970 36.772 36.772 36.253 0.519 25404 148 1 1 . 1 1 970 970 MET H H 970 7.314 7.314 7.831 -0.517 25404 149 1 1 . 1 1 971 971 THR N N 971 118.284 118.284 111.872 6.412 25404 150 1 1 . 1 1 971 971 THR HA H 971 4.740 4.740 4.613 0.127 25404 151 1 1 . 1 1 971 971 THR C C 971 175.112 175.112 175.655 -0.543 25404 152 1 1 . 1 1 971 971 THR CA C 971 61.582 61.582 61.662 -0.080 25404 153 1 1 . 1 1 971 971 THR CB C 971 71.203 71.203 69.893 1.310 25404 154 1 1 . 1 1 971 971 THR H H 971 9.129 9.129 8.401 0.728 25404 155 1 1 . 1 1 972 972 VAL N N 972 121.240 121.240 122.898 -1.658 25404 156 1 1 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.159 -0.429 25404 157 1 1 . 1 1 972 972 VAL C C 972 177.014 177.014 177.989 -0.975 25404 158 1 1 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.514 1.596 25404 159 1 1 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.246 0.054 25404 160 1 1 . 1 1 972 972 VAL H H 972 8.745 8.745 8.427 0.318 25404 161 1 1 . 1 1 973 973 GLN N N 973 117.672 117.672 117.839 -0.167 25404 162 1 1 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.889 -0.059 25404 163 1 1 . 1 1 973 973 GLN C C 973 178.206 178.206 178.541 -0.335 25404 164 1 1 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.527 -0.047 25404 165 1 1 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.034 0.886 25404 166 1 1 . 1 1 973 973 GLN H H 973 8.179 8.179 8.550 -0.371 25404 167 1 1 . 1 1 974 974 GLN N N 974 118.023 118.023 118.687 -0.664 25404 168 1 1 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.008 0.082 25404 169 1 1 . 1 1 974 974 GLN C C 974 179.457 179.457 178.258 1.199 25404 170 1 1 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.579 0.544 25404 171 1 1 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.092 1.058 25404 172 1 1 . 1 1 974 974 GLN H H 974 7.797 7.797 7.704 0.093 25404 173 1 1 . 1 1 975 975 PHE N N 975 121.801 121.801 121.090 0.711 25404 174 1 1 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.159 0.191 25404 175 1 1 . 1 1 975 975 PHE C C 975 175.313 175.313 177.089 -1.776 25404 176 1 1 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.070 -0.097 25404 177 1 1 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.934 0.781 25404 178 1 1 . 1 1 975 975 PHE H H 975 8.290 8.290 7.658 0.632 25404 179 1 1 . 1 1 976 976 LEU N N 976 119.703 119.703 119.710 -0.007 25404 180 1 1 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.578 -0.054 25404 181 1 1 . 1 1 976 976 LEU C C 976 180.091 180.091 178.848 1.243 25404 182 1 1 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.251 -0.237 25404 183 1 1 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.939 0.488 25404 184 1 1 . 1 1 976 976 LEU H H 976 8.538 8.538 8.311 0.227 25404 185 1 1 . 1 1 977 977 ASP N N 977 119.392 119.392 119.602 -0.210 25404 186 1 1 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.287 0.023 25404 187 1 1 . 1 1 977 977 ASP C C 977 178.035 178.035 178.530 -0.495 25404 188 1 1 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.140 0.304 25404 189 1 1 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.876 0.226 25404 190 1 1 . 1 1 977 977 ASP H H 977 8.274 8.274 8.058 0.216 25404 191 1 1 . 1 1 978 978 LEU N N 978 122.575 122.575 121.023 1.552 25404 192 1 1 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.928 0.022 25404 193 1 1 . 1 1 978 978 LEU C C 978 176.975 176.975 177.928 -0.953 25404 194 1 1 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.650 0.740 25404 195 1 1 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.685 0.415 25404 196 1 1 . 1 1 978 978 LEU H H 978 7.648 7.648 8.038 -0.390 25404 197 1 1 . 1 1 979 979 LYS N N 979 118.441 118.441 118.473 -0.032 25404 198 1 1 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.563 -0.383 25404 199 1 1 . 1 1 979 979 LYS C C 979 177.972 177.972 178.298 -0.326 25404 200 1 1 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.533 0.627 25404 201 1 1 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.384 1.216 25404 202 1 1 . 1 1 979 979 LYS H H 979 7.958 7.958 7.856 0.102 25404 203 1 1 . 1 1 980 980 GLU N N 980 117.008 117.008 120.639 -3.631 25404 204 1 1 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.892 0.068 25404 205 1 1 . 1 1 980 980 GLU C C 980 180.050 180.050 179.070 0.980 25404 206 1 1 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.606 0.052 25404 207 1 1 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.399 0.285 25404 208 1 1 . 1 1 980 980 GLU H H 980 7.994 7.994 8.144 -0.150 25404 209 1 1 . 1 1 981 981 ARG N N 981 119.530 119.530 118.764 0.766 25404 210 1 1 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.997 0.183 25404 211 1 1 . 1 1 981 981 ARG C C 981 179.556 179.556 178.710 0.846 25404 212 1 1 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.971 -2.041 25404 213 1 1 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.179 -0.429 25404 214 1 1 . 1 1 981 981 ARG H H 981 8.159 8.159 7.835 0.324 25404 215 1 1 . 1 1 982 982 ALA N N 982 126.163 126.163 123.061 3.102 25404 216 1 1 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.216 0.034 25404 217 1 1 . 1 1 982 982 ALA C C 982 182.415 182.415 180.449 1.966 25404 218 1 1 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.837 1.581 25404 219 1 1 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.690 0.920 25404 220 1 1 . 1 1 982 982 ALA H H 982 8.947 8.947 8.113 0.834 25404 221 1 1 . 1 1 983 983 LEU N N 983 119.414 119.414 119.005 0.409 25404 222 1 1 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.195 0.235 25404 223 1 1 . 1 1 983 983 LEU C C 983 178.652 178.652 179.075 -0.423 25404 224 1 1 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.059 0.517 25404 225 1 1 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.469 -0.099 25404 226 1 1 . 1 1 983 983 LEU H H 983 8.638 8.638 8.761 -0.123 25404 227 1 1 . 1 1 984 984 SER N N 984 113.275 113.275 114.276 -1.001 25404 228 1 1 . 1 1 984 984 SER HA H 984 4.690 4.690 4.435 0.255 25404 229 1 1 . 1 1 984 984 SER C C 984 174.726 174.726 175.237 -0.511 25404 230 1 1 . 1 1 984 984 SER CA C 984 59.300 59.300 58.294 1.006 25404 231 1 1 . 1 1 984 984 SER CB C 984 64.400 64.400 63.371 1.028 25404 232 1 1 . 1 1 984 984 SER H H 984 7.736 7.736 7.833 -0.097 25404 233 1 1 . 1 1 985 985 GLY N N 985 108.346 108.346 109.025 -0.679 25404 234 1 1 . 1 1 985 985 GLY C C 985 174.740 174.740 173.541 1.199 25404 235 1 1 . 1 1 985 985 GLY CA C 985 45.763 45.763 45.057 0.706 25404 236 1 1 . 1 1 985 985 GLY H H 985 7.880 7.880 7.620 0.260 25404 237 1 1 . 1 1 986 986 ALA N N 986 123.024 123.024 121.763 1.261 25404 238 1 1 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.371 0.019 25404 239 1 1 . 1 1 986 986 ALA C C 986 177.887 177.887 176.912 0.975 25404 240 1 1 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.965 1.849 25404 241 1 1 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.597 0.803 25404 242 1 1 . 1 1 986 986 ALA H H 986 7.790 7.790 7.828 -0.038 25404 243 1 1 . 1 1 987 987 SER N N 987 111.887 111.887 115.525 -3.638 25404 244 1 1 . 1 1 987 987 SER HA H 987 4.730 4.730 4.446 0.284 25404 245 1 1 . 1 1 987 987 SER C C 987 174.429 174.429 173.653 0.776 25404 246 1 1 . 1 1 987 987 SER CA C 987 57.629 57.629 58.559 -0.930 25404 247 1 1 . 1 1 987 987 SER CB C 987 64.309 64.309 63.642 0.666 25404 248 1 1 . 1 1 987 987 SER H H 987 8.810 8.810 8.690 0.120 25404 249 1 1 . 1 1 988 988 ASP N N 988 120.053 120.053 121.797 -1.744 25404 250 1 1 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.593 0.342 25404 251 1 1 . 1 1 988 988 ASP C C 988 173.389 173.389 176.075 -2.686 25404 252 1 1 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.692 -0.279 25404 253 1 1 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.686 -0.526 25404 254 1 1 . 1 1 988 988 ASP H H 988 7.933 7.933 7.938 -0.005 25404 255 1 1 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.439 -0.119 25404 256 1 1 . 1 1 989 989 PRO C C 989 179.464 179.464 178.183 1.281 25404 257 1 1 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.730 1.026 25404 258 1 1 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.843 0.799 25404 259 1 1 . 1 1 990 990 ASP N N 990 118.727 118.727 117.118 1.609 25404 260 1 1 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.566 0.021 25404 261 1 1 . 1 1 990 990 ASP C C 990 178.185 178.185 178.695 -0.510 25404 262 1 1 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.153 0.974 25404 263 1 1 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.818 0.372 25404 264 1 1 . 1 1 990 990 ASP H H 990 8.418 8.418 8.789 -0.371 25404 265 1 1 . 1 1 991 991 SER N N 991 121.204 121.204 116.332 4.872 25404 266 1 1 . 1 1 991 991 SER HA H 991 4.278 4.278 4.366 -0.088 25404 267 1 1 . 1 1 991 991 SER CA C 991 64.100 64.100 61.260 2.840 25404 268 1 1 . 1 1 991 991 SER CB C 991 62.832 62.832 63.118 -0.286 25404 269 1 1 . 1 1 991 991 SER H H 991 8.093 8.093 7.739 0.354 25404 270 1 1 . 1 1 992 992 GLN N N 992 119.137 119.137 120.616 -1.479 25404 271 1 1 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.069 0.215 25404 272 1 1 . 1 1 992 992 GLN C C 992 179.621 179.621 178.748 0.873 25404 273 1 1 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.793 0.877 25404 274 1 1 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.274 0.456 25404 275 1 1 . 1 1 992 992 GLN H H 992 8.131 8.131 7.935 0.196 25404 276 1 1 . 1 1 993 993 ARG N N 993 122.037 122.037 119.799 2.238 25404 277 1 1 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.176 -0.002 25404 278 1 1 . 1 1 993 993 ARG C C 993 179.465 179.465 178.605 0.860 25404 279 1 1 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.851 1.041 25404 280 1 1 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.947 0.345 25404 281 1 1 . 1 1 993 993 ARG H H 993 8.345 8.345 8.142 0.203 25404 282 1 1 . 1 1 994 994 TYR N N 994 122.855 122.855 122.069 0.786 25404 283 1 1 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.399 0.201 25404 284 1 1 . 1 1 994 994 TYR C C 994 176.468 176.468 177.768 -1.300 25404 285 1 1 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.885 1.794 25404 286 1 1 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.332 0.968 25404 287 1 1 . 1 1 994 994 TYR H H 994 9.285 9.285 8.391 0.894 25404 288 1 1 . 1 1 995 995 ASN N N 995 117.831 117.831 117.680 0.151 25404 289 1 1 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.253 0.296 25404 290 1 1 . 1 1 995 995 ASN C C 995 178.763 178.763 177.849 0.914 25404 291 1 1 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.136 0.805 25404 292 1 1 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.810 0.630 25404 293 1 1 . 1 1 995 995 ASN H H 995 8.678 8.678 8.688 -0.010 25404 294 1 1 . 1 1 996 996 ALA N N 996 122.157 122.157 124.151 -1.994 25404 295 1 1 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.168 0.202 25404 296 1 1 . 1 1 996 996 ALA C C 996 179.848 179.848 179.112 0.736 25404 297 1 1 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.803 0.514 25404 298 1 1 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.605 0.085 25404 299 1 1 . 1 1 996 996 ALA H H 996 7.984 7.984 8.109 -0.125 25404 300 1 1 . 1 1 997 997 TRP N N 997 123.610 123.610 121.033 2.577 25404 301 1 1 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.212 0.169 25404 302 1 1 . 1 1 997 997 TRP C C 997 178.383 178.383 177.993 0.390 25404 303 1 1 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.693 0.489 25404 304 1 1 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.252 0.048 25404 305 1 1 . 1 1 997 997 TRP H H 997 8.760 8.760 8.336 0.424 25404 306 1 1 . 1 1 998 998 LEU N N 998 120.247 120.247 118.364 1.883 25404 307 1 1 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.267 0.303 25404 308 1 1 . 1 1 998 998 LEU C C 998 180.003 180.003 178.673 1.330 25404 309 1 1 . 1 1 998 998 LEU CA C 998 57.923 57.923 58.011 -0.088 25404 310 1 1 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.036 1.564 25404 311 1 1 . 1 1 998 998 LEU H H 998 9.030 9.030 7.850 1.180 25404 312 1 1 . 1 1 999 999 GLU N N 999 118.449 118.449 120.409 -1.960 25404 313 1 1 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.945 0.121 25404 314 1 1 . 1 1 999 999 GLU C C 999 178.785 178.785 179.130 -0.345 25404 315 1 1 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.553 -0.080 25404 316 1 1 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.654 0.206 25404 317 1 1 . 1 1 999 999 GLU H H 999 7.574 7.574 7.612 -0.038 25404 318 1 2 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.346 0.054 25404 319 1 2 . 1 1 946 946 ALA C C 946 177.730 177.730 178.101 -0.371 25404 320 1 2 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.296 0.649 25404 321 1 2 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.336 0.434 25404 322 1 2 . 1 1 946 946 ALA H H 946 8.480 8.480 8.075 0.405 25404 323 1 2 . 1 1 947 947 MET N N 947 119.619 119.619 116.138 3.481 25404 324 1 2 . 1 1 947 947 MET HA H 947 4.520 4.520 4.023 0.497 25404 325 1 2 . 1 1 947 947 MET C C 947 175.878 175.878 176.381 -0.503 25404 326 1 2 . 1 1 947 947 MET CA C 947 55.676 55.676 56.308 -0.632 25404 327 1 2 . 1 1 947 947 MET CB C 947 33.450 33.450 30.801 2.649 25404 328 1 2 . 1 1 947 947 MET H H 947 8.468 8.468 8.596 -0.128 25404 329 1 2 . 1 1 948 948 ALA N N 948 125.737 125.737 121.841 3.896 25404 330 1 2 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.195 -0.028 25404 331 1 2 . 1 1 948 948 ALA C C 948 177.203 177.203 178.535 -1.332 25404 332 1 2 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.996 -1.186 25404 333 1 2 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.701 0.821 25404 334 1 2 . 1 1 948 948 ALA H H 948 8.432 8.432 7.605 0.827 25404 335 1 2 . 1 1 949 949 ILE N N 949 119.982 119.982 117.557 2.425 25404 336 1 2 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.924 0.276 25404 337 1 2 . 1 1 949 949 ILE C C 949 175.237 175.237 177.162 -1.925 25404 338 1 2 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.989 0.411 25404 339 1 2 . 1 1 949 949 ILE CB C 949 39.460 39.460 36.811 2.649 25404 340 1 2 . 1 1 949 949 ILE H H 949 8.049 8.049 7.450 0.599 25404 341 1 2 . 1 1 950 950 ALA N N 950 127.463 127.463 120.884 6.579 25404 342 1 2 . 1 1 950 950 ALA HA H 950 4.510 4.510 3.965 0.545 25404 343 1 2 . 1 1 950 950 ALA C C 950 176.693 176.693 176.183 0.510 25404 344 1 2 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.235 -0.144 25404 345 1 2 . 1 1 950 950 ALA CB C 950 20.060 20.060 17.570 2.490 25404 346 1 2 . 1 1 950 950 ALA H H 950 8.286 8.286 7.813 0.473 25404 347 1 2 . 1 1 951 951 LEU N N 951 120.899 120.899 115.889 5.010 25404 348 1 2 . 1 1 951 951 LEU HA H 951 4.600 4.600 3.991 0.609 25404 349 1 2 . 1 1 951 951 LEU C C 951 177.680 177.680 176.031 1.649 25404 350 1 2 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.654 -1.053 25404 351 1 2 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.590 1.610 25404 352 1 2 . 1 1 951 951 LEU H H 951 8.098 8.098 7.746 0.352 25404 353 1 2 . 1 1 952 952 ARG N N 952 122.793 122.793 119.048 3.745 25404 354 1 2 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.366 0.191 25404 355 1 2 . 1 1 952 952 ARG C C 952 177.543 177.543 177.333 0.210 25404 356 1 2 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.923 0.353 25404 357 1 2 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.852 1.978 25404 358 1 2 . 1 1 952 952 ARG H H 952 9.312 9.312 8.417 0.895 25404 359 1 2 . 1 1 953 953 ASP N N 953 122.129 122.129 120.778 1.351 25404 360 1 2 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.266 0.224 25404 361 1 2 . 1 1 953 953 ASP C C 953 177.472 177.472 177.973 -0.501 25404 362 1 2 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.234 -0.148 25404 363 1 2 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.403 0.077 25404 364 1 2 . 1 1 953 953 ASP H H 953 8.959 8.959 8.809 0.150 25404 365 1 2 . 1 1 954 954 ASP N N 954 116.531 116.531 119.586 -3.055 25404 366 1 2 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.481 0.149 25404 367 1 2 . 1 1 954 954 ASP C C 954 178.707 178.707 178.196 0.511 25404 368 1 2 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.228 -0.327 25404 369 1 2 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.809 -0.709 25404 370 1 2 . 1 1 954 954 ASP H H 954 8.776 8.776 8.717 0.059 25404 371 1 2 . 1 1 955 955 GLU N N 955 121.514 121.514 120.669 0.845 25404 372 1 2 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.182 0.368 25404 373 1 2 . 1 1 955 955 GLU C C 955 177.302 177.302 179.025 -1.723 25404 374 1 2 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.041 0.278 25404 375 1 2 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.340 2.500 25404 376 1 2 . 1 1 955 955 GLU H H 955 7.692 7.692 8.476 -0.784 25404 377 1 2 . 1 1 956 956 TYR N N 956 120.780 120.780 121.569 -0.789 25404 378 1 2 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.226 0.064 25404 379 1 2 . 1 1 956 956 TYR C C 956 177.098 177.098 177.599 -0.501 25404 380 1 2 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.210 0.740 25404 381 1 2 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.578 -0.166 25404 382 1 2 . 1 1 956 956 TYR H H 956 8.425 8.425 8.879 -0.454 25404 383 1 2 . 1 1 957 957 ASP N N 957 118.102 118.102 118.938 -0.836 25404 384 1 2 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.314 0.056 25404 385 1 2 . 1 1 957 957 ASP C C 957 177.919 177.919 178.485 -0.566 25404 386 1 2 . 1 1 957 957 ASP CA C 957 57.654 57.654 58.605 -0.951 25404 387 1 2 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.623 -0.092 25404 388 1 2 . 1 1 957 957 ASP H H 957 8.169 8.169 8.151 0.018 25404 389 1 2 . 1 1 958 958 GLU N N 958 121.150 121.150 121.670 -0.520 25404 390 1 2 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.123 -0.063 25404 391 1 2 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.162 1.948 25404 392 1 2 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.913 0.916 25404 393 1 2 . 1 1 958 958 GLU H H 958 7.782 7.782 7.604 0.178 25404 394 1 2 . 1 1 959 959 TRP N N 959 120.489 120.489 121.954 -1.465 25404 395 1 2 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.626 -0.257 25404 396 1 2 . 1 1 959 959 TRP C C 959 176.651 176.651 178.131 -1.480 25404 397 1 2 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.953 -2.162 25404 398 1 2 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.021 -1.252 25404 399 1 2 . 1 1 959 959 TRP H H 959 8.089 8.089 8.413 -0.324 25404 400 1 2 . 1 1 960 960 GLN N N 960 113.509 113.509 116.042 -2.533 25404 401 1 2 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.234 -0.114 25404 402 1 2 . 1 1 960 960 GLN C C 960 179.089 179.089 178.607 0.482 25404 403 1 2 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.489 -0.157 25404 404 1 2 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.446 1.024 25404 405 1 2 . 1 1 960 960 GLN H H 960 7.946 7.946 7.793 0.153 25404 406 1 2 . 1 1 961 961 ASP N N 961 120.534 120.534 120.670 -0.136 25404 407 1 2 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.354 0.166 25404 408 1 2 . 1 1 961 961 ASP C C 961 177.660 177.660 178.705 -1.045 25404 409 1 2 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.249 0.210 25404 410 1 2 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.534 -0.164 25404 411 1 2 . 1 1 961 961 ASP H H 961 8.253 8.253 7.956 0.297 25404 412 1 2 . 1 1 962 962 ILE N N 962 124.280 124.280 121.086 3.194 25404 413 1 2 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.106 -0.036 25404 414 1 2 . 1 1 962 962 ILE C C 962 177.301 177.301 176.957 0.344 25404 415 1 2 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.227 2.873 25404 416 1 2 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.766 -0.996 25404 417 1 2 . 1 1 962 962 ILE H H 962 8.600 8.600 7.583 1.017 25404 418 1 2 . 1 1 963 963 ILE N N 963 121.368 121.368 119.918 1.450 25404 419 1 2 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.552 0.308 25404 420 1 2 . 1 1 963 963 ILE C C 963 179.751 179.751 177.519 2.232 25404 421 1 2 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.543 -0.434 25404 422 1 2 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.223 1.267 25404 423 1 2 . 1 1 963 963 ILE H H 963 7.377 7.377 7.468 -0.091 25404 424 1 2 . 1 1 964 964 ARG N N 964 119.627 119.627 119.522 0.105 25404 425 1 2 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.839 0.231 25404 426 1 2 . 1 1 964 964 ARG C C 964 179.065 179.065 178.710 0.355 25404 427 1 2 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.745 -0.591 25404 428 1 2 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.832 0.968 25404 429 1 2 . 1 1 964 964 ARG H H 964 7.209 7.209 7.780 -0.571 25404 430 1 2 . 1 1 965 965 ASP N N 965 119.847 119.847 120.890 -1.043 25404 431 1 2 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.286 0.334 25404 432 1 2 . 1 1 965 965 ASP C C 965 178.787 178.787 177.449 1.338 25404 433 1 2 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.885 0.532 25404 434 1 2 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.216 0.399 25404 435 1 2 . 1 1 965 965 ASP H H 965 9.098 9.098 7.742 1.356 25404 436 1 2 . 1 1 966 966 TRP N N 966 118.678 118.678 116.193 2.485 25404 437 1 2 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.531 0.209 25404 438 1 2 . 1 1 966 966 TRP C C 966 176.094 176.094 175.872 0.222 25404 439 1 2 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.859 -0.016 25404 440 1 2 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.551 -0.951 25404 441 1 2 . 1 1 966 966 TRP H H 966 9.253 9.253 7.154 2.099 25404 442 1 2 . 1 1 967 967 ARG N N 967 116.998 116.998 117.066 -0.068 25404 443 1 2 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.979 0.051 25404 444 1 2 . 1 1 967 967 ARG C C 967 174.965 174.965 175.562 -0.597 25404 445 1 2 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.239 -0.233 25404 446 1 2 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.271 -0.305 25404 447 1 2 . 1 1 967 967 ARG H H 967 7.762 7.762 7.795 -0.033 25404 448 1 2 . 1 1 968 968 LYS N N 968 117.708 117.708 116.302 1.406 25404 449 1 2 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.477 0.163 25404 450 1 2 . 1 1 968 968 LYS C C 968 174.258 174.258 174.131 0.127 25404 451 1 2 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.913 0.326 25404 452 1 2 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.272 1.842 25404 453 1 2 . 1 1 968 968 LYS H H 968 7.462 7.462 7.650 -0.188 25404 454 1 2 . 1 1 969 969 GLU N N 969 123.352 123.352 120.523 2.829 25404 455 1 2 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.434 -0.267 25404 456 1 2 . 1 1 969 969 GLU C C 969 175.962 175.962 175.030 0.932 25404 457 1 2 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.650 1.496 25404 458 1 2 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.345 -0.845 25404 459 1 2 . 1 1 969 969 GLU H H 969 8.559 8.559 8.375 0.184 25404 460 1 2 . 1 1 970 970 MET N N 970 121.247 121.247 122.905 -1.658 25404 461 1 2 . 1 1 970 970 MET HA H 970 4.920 4.920 4.808 0.112 25404 462 1 2 . 1 1 970 970 MET C C 970 176.884 176.884 175.102 1.782 25404 463 1 2 . 1 1 970 970 MET CA C 970 55.546 55.546 54.023 1.524 25404 464 1 2 . 1 1 970 970 MET CB C 970 36.772 36.772 35.331 1.441 25404 465 1 2 . 1 1 970 970 MET H H 970 7.314 7.314 8.157 -0.843 25404 466 1 2 . 1 1 971 971 THR N N 971 118.284 118.284 112.152 6.132 25404 467 1 2 . 1 1 971 971 THR HA H 971 4.740 4.740 4.939 -0.199 25404 468 1 2 . 1 1 971 971 THR C C 971 175.112 175.112 174.842 0.270 25404 469 1 2 . 1 1 971 971 THR CA C 971 61.582 61.582 60.756 0.826 25404 470 1 2 . 1 1 971 971 THR CB C 971 71.203 71.203 70.935 0.268 25404 471 1 2 . 1 1 971 971 THR H H 971 9.129 9.129 8.143 0.986 25404 472 1 2 . 1 1 972 972 VAL N N 972 121.240 121.240 122.700 -1.460 25404 473 1 2 . 1 1 972 972 VAL HA H 972 2.730 2.730 2.992 -0.262 25404 474 1 2 . 1 1 972 972 VAL C C 972 177.014 177.014 177.332 -0.318 25404 475 1 2 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.389 1.721 25404 476 1 2 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.008 0.292 25404 477 1 2 . 1 1 972 972 VAL H H 972 8.745 8.745 8.320 0.425 25404 478 1 2 . 1 1 973 973 GLN N N 973 117.672 117.672 118.915 -1.243 25404 479 1 2 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.835 -0.005 25404 480 1 2 . 1 1 973 973 GLN C C 973 178.206 178.206 178.120 0.086 25404 481 1 2 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.457 0.023 25404 482 1 2 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.121 0.799 25404 483 1 2 . 1 1 973 973 GLN H H 973 8.179 8.179 8.371 -0.192 25404 484 1 2 . 1 1 974 974 GLN N N 974 118.023 118.023 118.552 -0.529 25404 485 1 2 . 1 1 974 974 GLN HA H 974 4.090 4.090 3.992 0.098 25404 486 1 2 . 1 1 974 974 GLN C C 974 179.457 179.457 178.399 1.058 25404 487 1 2 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.768 0.355 25404 488 1 2 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.234 0.916 25404 489 1 2 . 1 1 974 974 GLN H H 974 7.797 7.797 7.669 0.128 25404 490 1 2 . 1 1 975 975 PHE N N 975 121.801 121.801 121.567 0.234 25404 491 1 2 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.149 0.201 25404 492 1 2 . 1 1 975 975 PHE C C 975 175.313 175.313 176.999 -1.686 25404 493 1 2 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.138 -0.165 25404 494 1 2 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.920 0.795 25404 495 1 2 . 1 1 975 975 PHE H H 975 8.290 8.290 7.654 0.636 25404 496 1 2 . 1 1 976 976 LEU N N 976 119.703 119.703 119.673 0.030 25404 497 1 2 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.604 -0.080 25404 498 1 2 . 1 1 976 976 LEU C C 976 180.091 180.091 178.704 1.387 25404 499 1 2 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.335 -0.321 25404 500 1 2 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.861 0.566 25404 501 1 2 . 1 1 976 976 LEU H H 976 8.538 8.538 8.576 -0.038 25404 502 1 2 . 1 1 977 977 ASP N N 977 119.392 119.392 119.731 -0.339 25404 503 1 2 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.317 -0.007 25404 504 1 2 . 1 1 977 977 ASP C C 977 178.035 178.035 178.793 -0.758 25404 505 1 2 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.017 0.427 25404 506 1 2 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.798 0.304 25404 507 1 2 . 1 1 977 977 ASP H H 977 8.274 8.274 7.972 0.302 25404 508 1 2 . 1 1 978 978 LEU N N 978 122.575 122.575 121.068 1.507 25404 509 1 2 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.948 0.002 25404 510 1 2 . 1 1 978 978 LEU C C 978 176.975 176.975 177.936 -0.961 25404 511 1 2 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.625 0.765 25404 512 1 2 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.716 0.384 25404 513 1 2 . 1 1 978 978 LEU H H 978 7.648 7.648 7.923 -0.275 25404 514 1 2 . 1 1 979 979 LYS N N 979 118.441 118.441 118.215 0.226 25404 515 1 2 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.589 -0.409 25404 516 1 2 . 1 1 979 979 LYS C C 979 177.972 177.972 178.266 -0.294 25404 517 1 2 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.438 0.722 25404 518 1 2 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.384 1.216 25404 519 1 2 . 1 1 979 979 LYS H H 979 7.958 7.958 8.071 -0.113 25404 520 1 2 . 1 1 980 980 GLU N N 980 117.008 117.008 120.553 -3.545 25404 521 1 2 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.946 0.013 25404 522 1 2 . 1 1 980 980 GLU C C 980 180.050 180.050 179.185 0.865 25404 523 1 2 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.241 0.417 25404 524 1 2 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.222 0.462 25404 525 1 2 . 1 1 980 980 GLU H H 980 7.994 7.994 8.038 -0.044 25404 526 1 2 . 1 1 981 981 ARG N N 981 119.530 119.530 118.869 0.661 25404 527 1 2 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.988 0.192 25404 528 1 2 . 1 1 981 981 ARG C C 981 179.556 179.556 178.697 0.859 25404 529 1 2 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.076 -2.146 25404 530 1 2 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.212 -0.462 25404 531 1 2 . 1 1 981 981 ARG H H 981 8.159 8.159 7.985 0.174 25404 532 1 2 . 1 1 982 982 ALA N N 982 126.163 126.163 122.956 3.207 25404 533 1 2 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.231 0.019 25404 534 1 2 . 1 1 982 982 ALA C C 982 182.415 182.415 180.463 1.952 25404 535 1 2 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.804 1.613 25404 536 1 2 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.692 0.918 25404 537 1 2 . 1 1 982 982 ALA H H 982 8.947 8.947 8.097 0.850 25404 538 1 2 . 1 1 983 983 LEU N N 983 119.414 119.414 119.236 0.178 25404 539 1 2 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.208 0.222 25404 540 1 2 . 1 1 983 983 LEU C C 983 178.652 178.652 178.931 -0.279 25404 541 1 2 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.104 0.472 25404 542 1 2 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.717 -0.347 25404 543 1 2 . 1 1 983 983 LEU H H 983 8.638 8.638 8.735 -0.097 25404 544 1 2 . 1 1 984 984 SER N N 984 113.275 113.275 113.782 -0.507 25404 545 1 2 . 1 1 984 984 SER HA H 984 4.690 4.690 4.400 0.290 25404 546 1 2 . 1 1 984 984 SER C C 984 174.726 174.726 175.067 -0.341 25404 547 1 2 . 1 1 984 984 SER CA C 984 59.300 59.300 58.658 0.642 25404 548 1 2 . 1 1 984 984 SER CB C 984 64.400 64.400 63.359 1.041 25404 549 1 2 . 1 1 984 984 SER H H 984 7.736 7.736 7.854 -0.118 25404 550 1 2 . 1 1 985 985 GLY N N 985 108.346 108.346 108.367 -0.021 25404 551 1 2 . 1 1 985 985 GLY C C 985 174.740 174.740 173.765 0.975 25404 552 1 2 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.944 0.819 25404 553 1 2 . 1 1 985 985 GLY H H 985 7.880 7.880 7.671 0.209 25404 554 1 2 . 1 1 986 986 ALA N N 986 123.024 123.024 121.875 1.149 25404 555 1 2 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.386 0.004 25404 556 1 2 . 1 1 986 986 ALA C C 986 177.887 177.887 176.825 1.062 25404 557 1 2 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.878 1.936 25404 558 1 2 . 1 1 986 986 ALA CB C 986 20.400 20.400 20.393 0.007 25404 559 1 2 . 1 1 986 986 ALA H H 986 7.790 7.790 7.996 -0.206 25404 560 1 2 . 1 1 987 987 SER N N 987 111.887 111.887 114.700 -2.813 25404 561 1 2 . 1 1 987 987 SER HA H 987 4.730 4.730 4.439 0.291 25404 562 1 2 . 1 1 987 987 SER C C 987 174.429 174.429 174.039 0.390 25404 563 1 2 . 1 1 987 987 SER CA C 987 57.629 57.629 58.044 -0.415 25404 564 1 2 . 1 1 987 987 SER CB C 987 64.309 64.309 63.887 0.422 25404 565 1 2 . 1 1 987 987 SER H H 987 8.810 8.810 8.561 0.249 25404 566 1 2 . 1 1 988 988 ASP N N 988 120.053 120.053 124.677 -4.624 25404 567 1 2 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.642 0.293 25404 568 1 2 . 1 1 988 988 ASP C C 988 173.389 173.389 176.468 -3.079 25404 569 1 2 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.438 -1.025 25404 570 1 2 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.973 -0.813 25404 571 1 2 . 1 1 988 988 ASP H H 988 7.933 7.933 7.945 -0.012 25404 572 1 2 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.223 0.097 25404 573 1 2 . 1 1 989 989 PRO C C 989 179.464 179.464 177.851 1.613 25404 574 1 2 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.746 1.010 25404 575 1 2 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.898 0.744 25404 576 1 2 . 1 1 990 990 ASP N N 990 118.727 118.727 117.181 1.546 25404 577 1 2 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.532 0.055 25404 578 1 2 . 1 1 990 990 ASP C C 990 178.185 178.185 178.846 -0.661 25404 579 1 2 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.427 0.700 25404 580 1 2 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.909 0.281 25404 581 1 2 . 1 1 990 990 ASP H H 990 8.418 8.418 8.781 -0.363 25404 582 1 2 . 1 1 991 991 SER N N 991 121.204 121.204 116.180 5.024 25404 583 1 2 . 1 1 991 991 SER HA H 991 4.278 4.278 4.325 -0.047 25404 584 1 2 . 1 1 991 991 SER CA C 991 64.100 64.100 61.947 2.153 25404 585 1 2 . 1 1 991 991 SER CB C 991 62.832 62.832 63.227 -0.395 25404 586 1 2 . 1 1 991 991 SER H H 991 8.093 8.093 7.800 0.293 25404 587 1 2 . 1 1 992 992 GLN N N 992 119.137 119.137 120.846 -1.709 25404 588 1 2 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.132 0.152 25404 589 1 2 . 1 1 992 992 GLN C C 992 179.621 179.621 178.742 0.879 25404 590 1 2 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.839 0.831 25404 591 1 2 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.377 0.353 25404 592 1 2 . 1 1 992 992 GLN H H 992 8.131 8.131 7.951 0.180 25404 593 1 2 . 1 1 993 993 ARG N N 993 122.037 122.037 120.524 1.513 25404 594 1 2 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.124 0.050 25404 595 1 2 . 1 1 993 993 ARG C C 993 179.465 179.465 178.872 0.593 25404 596 1 2 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.613 0.279 25404 597 1 2 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.320 -0.028 25404 598 1 2 . 1 1 993 993 ARG H H 993 8.345 8.345 8.347 -0.002 25404 599 1 2 . 1 1 994 994 TYR N N 994 122.855 122.855 121.457 1.398 25404 600 1 2 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.395 0.205 25404 601 1 2 . 1 1 994 994 TYR C C 994 176.468 176.468 177.442 -0.974 25404 602 1 2 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.266 2.412 25404 603 1 2 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.441 0.859 25404 604 1 2 . 1 1 994 994 TYR H H 994 9.285 9.285 8.527 0.758 25404 605 1 2 . 1 1 995 995 ASN N N 995 117.831 117.831 117.815 0.016 25404 606 1 2 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.156 0.393 25404 607 1 2 . 1 1 995 995 ASN C C 995 178.763 178.763 177.693 1.070 25404 608 1 2 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.571 0.371 25404 609 1 2 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.165 0.275 25404 610 1 2 . 1 1 995 995 ASN H H 995 8.678 8.678 8.365 0.313 25404 611 1 2 . 1 1 996 996 ALA N N 996 122.157 122.157 123.104 -0.947 25404 612 1 2 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.101 0.269 25404 613 1 2 . 1 1 996 996 ALA C C 996 179.848 179.848 179.201 0.647 25404 614 1 2 . 1 1 996 996 ALA CA C 996 55.317 55.317 55.047 0.270 25404 615 1 2 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.219 0.471 25404 616 1 2 . 1 1 996 996 ALA H H 996 7.984 7.984 8.076 -0.092 25404 617 1 2 . 1 1 997 997 TRP N N 997 123.610 123.610 121.436 2.174 25404 618 1 2 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.201 0.180 25404 619 1 2 . 1 1 997 997 TRP C C 997 178.383 178.383 177.624 0.759 25404 620 1 2 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.237 -0.055 25404 621 1 2 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.179 0.121 25404 622 1 2 . 1 1 997 997 TRP H H 997 8.760 8.760 8.380 0.380 25404 623 1 2 . 1 1 998 998 LEU N N 998 120.247 120.247 118.316 1.931 25404 624 1 2 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.421 0.149 25404 625 1 2 . 1 1 998 998 LEU C C 998 180.003 180.003 178.735 1.268 25404 626 1 2 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.842 0.081 25404 627 1 2 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.225 1.375 25404 628 1 2 . 1 1 998 998 LEU H H 998 9.030 9.030 8.060 0.970 25404 629 1 2 . 1 1 999 999 GLU N N 999 118.449 118.449 120.080 -1.631 25404 630 1 2 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.974 0.092 25404 631 1 2 . 1 1 999 999 GLU C C 999 178.785 178.785 179.046 -0.261 25404 632 1 2 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.103 0.370 25404 633 1 2 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.270 0.590 25404 634 1 2 . 1 1 999 999 GLU H H 999 7.574 7.574 7.645 -0.071 25404 635 1 3 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.454 -0.054 25404 636 1 3 . 1 1 946 946 ALA C C 946 177.730 177.730 178.679 -0.949 25404 637 1 3 . 1 1 946 946 ALA CA C 946 52.945 52.945 54.103 -1.158 25404 638 1 3 . 1 1 946 946 ALA CB C 946 19.770 19.770 18.502 1.268 25404 639 1 3 . 1 1 946 946 ALA H H 946 8.480 8.480 8.326 0.154 25404 640 1 3 . 1 1 947 947 MET N N 947 119.619 119.619 116.247 3.372 25404 641 1 3 . 1 1 947 947 MET HA H 947 4.520 4.520 4.156 0.364 25404 642 1 3 . 1 1 947 947 MET C C 947 175.878 175.878 174.966 0.912 25404 643 1 3 . 1 1 947 947 MET CA C 947 55.676 55.676 55.214 0.462 25404 644 1 3 . 1 1 947 947 MET CB C 947 33.450 33.450 31.672 1.778 25404 645 1 3 . 1 1 947 947 MET H H 947 8.468 8.468 8.195 0.273 25404 646 1 3 . 1 1 948 948 ALA N N 948 125.737 125.737 122.609 3.128 25404 647 1 3 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.634 -0.467 25404 648 1 3 . 1 1 948 948 ALA C C 948 177.203 177.203 176.272 0.931 25404 649 1 3 . 1 1 948 948 ALA CA C 948 52.810 52.810 51.608 1.202 25404 650 1 3 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.424 0.098 25404 651 1 3 . 1 1 948 948 ALA H H 948 8.432 8.432 7.827 0.605 25404 652 1 3 . 1 1 949 949 ILE N N 949 119.982 119.982 117.762 2.220 25404 653 1 3 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.553 -0.353 25404 654 1 3 . 1 1 949 949 ILE C C 949 175.237 175.237 175.921 -0.684 25404 655 1 3 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.745 0.655 25404 656 1 3 . 1 1 949 949 ILE CB C 949 39.460 39.460 40.087 -0.627 25404 657 1 3 . 1 1 949 949 ILE H H 949 8.049 8.049 7.730 0.319 25404 658 1 3 . 1 1 950 950 ALA N N 950 127.463 127.463 128.213 -0.750 25404 659 1 3 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.329 0.181 25404 660 1 3 . 1 1 950 950 ALA C C 950 176.693 176.693 176.963 -0.270 25404 661 1 3 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.104 -0.013 25404 662 1 3 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.637 1.423 25404 663 1 3 . 1 1 950 950 ALA H H 950 8.286 8.286 8.460 -0.174 25404 664 1 3 . 1 1 951 951 LEU N N 951 120.899 120.899 117.618 3.281 25404 665 1 3 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.074 0.526 25404 666 1 3 . 1 1 951 951 LEU C C 951 177.680 177.680 175.733 1.947 25404 667 1 3 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.184 -0.584 25404 668 1 3 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.828 1.372 25404 669 1 3 . 1 1 951 951 LEU H H 951 8.098 8.098 7.643 0.455 25404 670 1 3 . 1 1 952 952 ARG N N 952 122.793 122.793 119.661 3.132 25404 671 1 3 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.574 -0.017 25404 672 1 3 . 1 1 952 952 ARG C C 952 177.543 177.543 177.077 0.466 25404 673 1 3 . 1 1 952 952 ARG CA C 952 56.276 56.276 54.658 1.618 25404 674 1 3 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.089 1.741 25404 675 1 3 . 1 1 952 952 ARG H H 952 9.312 9.312 8.306 1.006 25404 676 1 3 . 1 1 953 953 ASP N N 953 122.129 122.129 122.254 -0.125 25404 677 1 3 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.422 0.068 25404 678 1 3 . 1 1 953 953 ASP C C 953 177.472 177.472 178.217 -0.745 25404 679 1 3 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.312 -0.226 25404 680 1 3 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.437 0.043 25404 681 1 3 . 1 1 953 953 ASP H H 953 8.959 8.959 8.933 0.026 25404 682 1 3 . 1 1 954 954 ASP N N 954 116.531 116.531 118.963 -2.432 25404 683 1 3 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.546 0.084 25404 684 1 3 . 1 1 954 954 ASP C C 954 178.707 178.707 178.844 -0.137 25404 685 1 3 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.156 -0.255 25404 686 1 3 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.236 -0.136 25404 687 1 3 . 1 1 954 954 ASP H H 954 8.776 8.776 8.651 0.125 25404 688 1 3 . 1 1 955 955 GLU N N 955 121.514 121.514 120.213 1.301 25404 689 1 3 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.269 0.281 25404 690 1 3 . 1 1 955 955 GLU C C 955 177.302 177.302 178.983 -1.681 25404 691 1 3 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.190 0.129 25404 692 1 3 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.317 2.523 25404 693 1 3 . 1 1 955 955 GLU H H 955 7.692 7.692 8.586 -0.894 25404 694 1 3 . 1 1 956 956 TYR N N 956 120.780 120.780 121.531 -0.751 25404 695 1 3 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.233 0.057 25404 696 1 3 . 1 1 956 956 TYR C C 956 177.098 177.098 177.620 -0.522 25404 697 1 3 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.975 0.975 25404 698 1 3 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.656 -0.244 25404 699 1 3 . 1 1 956 956 TYR H H 956 8.425 8.425 8.984 -0.559 25404 700 1 3 . 1 1 957 957 ASP N N 957 118.102 118.102 118.822 -0.720 25404 701 1 3 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.384 -0.014 25404 702 1 3 . 1 1 957 957 ASP C C 957 177.919 177.919 178.299 -0.380 25404 703 1 3 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.116 0.538 25404 704 1 3 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.529 0.002 25404 705 1 3 . 1 1 957 957 ASP H H 957 8.169 8.169 8.020 0.149 25404 706 1 3 . 1 1 958 958 GLU N N 958 121.150 121.150 121.370 -0.220 25404 707 1 3 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.174 -0.114 25404 708 1 3 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.114 1.996 25404 709 1 3 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.796 1.034 25404 710 1 3 . 1 1 958 958 GLU H H 958 7.782 7.782 7.701 0.081 25404 711 1 3 . 1 1 959 959 TRP N N 959 120.489 120.489 122.020 -1.531 25404 712 1 3 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.534 -0.165 25404 713 1 3 . 1 1 959 959 TRP C C 959 176.651 176.651 178.076 -1.425 25404 714 1 3 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.989 -2.198 25404 715 1 3 . 1 1 959 959 TRP CB C 959 27.770 27.770 28.912 -1.142 25404 716 1 3 . 1 1 959 959 TRP H H 959 8.089 8.089 8.275 -0.186 25404 717 1 3 . 1 1 960 960 GLN N N 960 113.509 113.509 116.166 -2.657 25404 718 1 3 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.268 -0.148 25404 719 1 3 . 1 1 960 960 GLN C C 960 179.089 179.089 178.551 0.538 25404 720 1 3 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.544 -0.212 25404 721 1 3 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.547 0.923 25404 722 1 3 . 1 1 960 960 GLN H H 960 7.946 7.946 7.736 0.210 25404 723 1 3 . 1 1 961 961 ASP N N 961 120.534 120.534 121.013 -0.479 25404 724 1 3 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.376 0.144 25404 725 1 3 . 1 1 961 961 ASP C C 961 177.660 177.660 178.795 -1.135 25404 726 1 3 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.298 0.161 25404 727 1 3 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.537 -0.167 25404 728 1 3 . 1 1 961 961 ASP H H 961 8.253 8.253 8.012 0.241 25404 729 1 3 . 1 1 962 962 ILE N N 962 124.280 124.280 120.665 3.615 25404 730 1 3 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.026 0.044 25404 731 1 3 . 1 1 962 962 ILE C C 962 177.301 177.301 177.119 0.182 25404 732 1 3 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.170 1.930 25404 733 1 3 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.778 -1.008 25404 734 1 3 . 1 1 962 962 ILE H H 962 8.600 8.600 7.764 0.836 25404 735 1 3 . 1 1 963 963 ILE N N 963 121.368 121.368 120.810 0.558 25404 736 1 3 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.652 0.208 25404 737 1 3 . 1 1 963 963 ILE C C 963 179.751 179.751 177.731 2.020 25404 738 1 3 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.439 -0.330 25404 739 1 3 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.427 1.063 25404 740 1 3 . 1 1 963 963 ILE H H 963 7.377 7.377 7.545 -0.168 25404 741 1 3 . 1 1 964 964 ARG N N 964 119.627 119.627 119.179 0.448 25404 742 1 3 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.875 0.195 25404 743 1 3 . 1 1 964 964 ARG C C 964 179.065 179.065 178.930 0.135 25404 744 1 3 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.571 -0.417 25404 745 1 3 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.872 0.928 25404 746 1 3 . 1 1 964 964 ARG H H 964 7.209 7.209 7.762 -0.553 25404 747 1 3 . 1 1 965 965 ASP N N 965 119.847 119.847 120.844 -0.997 25404 748 1 3 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.257 0.363 25404 749 1 3 . 1 1 965 965 ASP C C 965 178.787 178.787 176.829 1.958 25404 750 1 3 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.695 0.722 25404 751 1 3 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.207 0.408 25404 752 1 3 . 1 1 965 965 ASP H H 965 9.098 9.098 7.716 1.382 25404 753 1 3 . 1 1 966 966 TRP N N 966 118.678 118.678 117.015 1.663 25404 754 1 3 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.497 0.243 25404 755 1 3 . 1 1 966 966 TRP C C 966 176.094 176.094 176.365 -0.271 25404 756 1 3 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.993 -0.150 25404 757 1 3 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.753 -1.153 25404 758 1 3 . 1 1 966 966 TRP H H 966 9.253 9.253 7.531 1.722 25404 759 1 3 . 1 1 967 967 ARG N N 967 116.998 116.998 114.764 2.234 25404 760 1 3 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.897 0.133 25404 761 1 3 . 1 1 967 967 ARG C C 967 174.965 174.965 175.101 -0.136 25404 762 1 3 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.413 -0.407 25404 763 1 3 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.402 -0.436 25404 764 1 3 . 1 1 967 967 ARG H H 967 7.762 7.762 7.762 -0.000 25404 765 1 3 . 1 1 968 968 LYS N N 968 117.708 117.708 117.282 0.426 25404 766 1 3 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.541 0.099 25404 767 1 3 . 1 1 968 968 LYS C C 968 174.258 174.258 174.417 -0.159 25404 768 1 3 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.383 0.856 25404 769 1 3 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.018 1.096 25404 770 1 3 . 1 1 968 968 LYS H H 968 7.462 7.462 7.602 -0.140 25404 771 1 3 . 1 1 969 969 GLU N N 969 123.352 123.352 123.339 0.013 25404 772 1 3 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.201 -0.034 25404 773 1 3 . 1 1 969 969 GLU C C 969 175.962 175.962 175.687 0.275 25404 774 1 3 . 1 1 969 969 GLU CA C 969 57.146 57.146 57.114 0.032 25404 775 1 3 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.322 -0.822 25404 776 1 3 . 1 1 969 969 GLU H H 969 8.559 8.559 8.411 0.148 25404 777 1 3 . 1 1 970 970 MET N N 970 121.247 121.247 122.962 -1.715 25404 778 1 3 . 1 1 970 970 MET HA H 970 4.920 4.920 4.906 0.014 25404 779 1 3 . 1 1 970 970 MET C C 970 176.884 176.884 175.044 1.840 25404 780 1 3 . 1 1 970 970 MET CA C 970 55.546 55.546 54.056 1.490 25404 781 1 3 . 1 1 970 970 MET CB C 970 36.772 36.772 35.696 1.076 25404 782 1 3 . 1 1 970 970 MET H H 970 7.314 7.314 8.399 -1.085 25404 783 1 3 . 1 1 971 971 THR N N 971 118.284 118.284 111.292 6.992 25404 784 1 3 . 1 1 971 971 THR HA H 971 4.740 4.740 4.970 -0.230 25404 785 1 3 . 1 1 971 971 THR C C 971 175.112 175.112 174.991 0.121 25404 786 1 3 . 1 1 971 971 THR CA C 971 61.582 61.582 60.693 0.889 25404 787 1 3 . 1 1 971 971 THR CB C 971 71.203 71.203 70.728 0.475 25404 788 1 3 . 1 1 971 971 THR H H 971 9.129 9.129 8.035 1.094 25404 789 1 3 . 1 1 972 972 VAL N N 972 121.240 121.240 122.969 -1.729 25404 790 1 3 . 1 1 972 972 VAL HA H 972 2.730 2.730 2.990 -0.260 25404 791 1 3 . 1 1 972 972 VAL C C 972 177.014 177.014 178.021 -1.007 25404 792 1 3 . 1 1 972 972 VAL CA C 972 67.110 67.110 64.802 2.308 25404 793 1 3 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.035 0.265 25404 794 1 3 . 1 1 972 972 VAL H H 972 8.745 8.745 8.320 0.425 25404 795 1 3 . 1 1 973 973 GLN N N 973 117.672 117.672 118.097 -0.425 25404 796 1 3 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.854 -0.024 25404 797 1 3 . 1 1 973 973 GLN C C 973 178.206 178.206 178.509 -0.303 25404 798 1 3 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.611 -0.131 25404 799 1 3 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.049 0.871 25404 800 1 3 . 1 1 973 973 GLN H H 973 8.179 8.179 8.524 -0.345 25404 801 1 3 . 1 1 974 974 GLN N N 974 118.023 118.023 118.703 -0.680 25404 802 1 3 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.015 0.075 25404 803 1 3 . 1 1 974 974 GLN C C 974 179.457 179.457 178.365 1.092 25404 804 1 3 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.782 0.341 25404 805 1 3 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.171 0.979 25404 806 1 3 . 1 1 974 974 GLN H H 974 7.797 7.797 7.715 0.082 25404 807 1 3 . 1 1 975 975 PHE N N 975 121.801 121.801 121.352 0.449 25404 808 1 3 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.158 0.192 25404 809 1 3 . 1 1 975 975 PHE C C 975 175.313 175.313 177.061 -1.748 25404 810 1 3 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.909 0.064 25404 811 1 3 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.990 0.724 25404 812 1 3 . 1 1 975 975 PHE H H 975 8.290 8.290 7.671 0.619 25404 813 1 3 . 1 1 976 976 LEU N N 976 119.703 119.703 121.045 -1.342 25404 814 1 3 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.574 -0.050 25404 815 1 3 . 1 1 976 976 LEU C C 976 180.091 180.091 177.874 2.217 25404 816 1 3 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.397 -0.383 25404 817 1 3 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.399 0.028 25404 818 1 3 . 1 1 976 976 LEU H H 976 8.538 8.538 8.730 -0.192 25404 819 1 3 . 1 1 977 977 ASP N N 977 119.392 119.392 119.193 0.199 25404 820 1 3 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.330 -0.020 25404 821 1 3 . 1 1 977 977 ASP C C 977 178.035 178.035 178.384 -0.349 25404 822 1 3 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.591 0.853 25404 823 1 3 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.732 0.370 25404 824 1 3 . 1 1 977 977 ASP H H 977 8.274 8.274 8.433 -0.159 25404 825 1 3 . 1 1 978 978 LEU N N 978 122.575 122.575 121.084 1.491 25404 826 1 3 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.934 0.016 25404 827 1 3 . 1 1 978 978 LEU C C 978 176.975 176.975 177.726 -0.751 25404 828 1 3 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.681 0.709 25404 829 1 3 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.661 0.439 25404 830 1 3 . 1 1 978 978 LEU H H 978 7.648 7.648 7.816 -0.168 25404 831 1 3 . 1 1 979 979 LYS N N 979 118.441 118.441 117.836 0.605 25404 832 1 3 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.651 -0.471 25404 833 1 3 . 1 1 979 979 LYS C C 979 177.972 177.972 178.372 -0.400 25404 834 1 3 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.518 0.642 25404 835 1 3 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.348 1.252 25404 836 1 3 . 1 1 979 979 LYS H H 979 7.958 7.958 7.948 0.010 25404 837 1 3 . 1 1 980 980 GLU N N 980 117.008 117.008 120.754 -3.746 25404 838 1 3 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.931 0.029 25404 839 1 3 . 1 1 980 980 GLU C C 980 180.050 180.050 179.028 1.022 25404 840 1 3 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.470 0.188 25404 841 1 3 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.432 0.252 25404 842 1 3 . 1 1 980 980 GLU H H 980 7.994 7.994 8.012 -0.018 25404 843 1 3 . 1 1 981 981 ARG N N 981 119.530 119.530 118.925 0.605 25404 844 1 3 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.036 0.144 25404 845 1 3 . 1 1 981 981 ARG C C 981 179.556 179.556 178.822 0.734 25404 846 1 3 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.216 -2.286 25404 847 1 3 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.252 -0.502 25404 848 1 3 . 1 1 981 981 ARG H H 981 8.159 8.159 8.039 0.120 25404 849 1 3 . 1 1 982 982 ALA N N 982 126.163 126.163 122.644 3.519 25404 850 1 3 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.156 0.094 25404 851 1 3 . 1 1 982 982 ALA C C 982 182.415 182.415 180.272 2.143 25404 852 1 3 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.984 1.433 25404 853 1 3 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.703 0.907 25404 854 1 3 . 1 1 982 982 ALA H H 982 8.947 8.947 8.179 0.768 25404 855 1 3 . 1 1 983 983 LEU N N 983 119.414 119.414 119.153 0.261 25404 856 1 3 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.204 0.226 25404 857 1 3 . 1 1 983 983 LEU C C 983 178.652 178.652 178.769 -0.117 25404 858 1 3 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.114 0.462 25404 859 1 3 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.703 -0.333 25404 860 1 3 . 1 1 983 983 LEU H H 983 8.638 8.638 8.571 0.067 25404 861 1 3 . 1 1 984 984 SER N N 984 113.275 113.275 113.509 -0.234 25404 862 1 3 . 1 1 984 984 SER HA H 984 4.690 4.690 4.405 0.285 25404 863 1 3 . 1 1 984 984 SER C C 984 174.726 174.726 175.502 -0.776 25404 864 1 3 . 1 1 984 984 SER CA C 984 59.300 59.300 58.777 0.523 25404 865 1 3 . 1 1 984 984 SER CB C 984 64.400 64.400 63.779 0.621 25404 866 1 3 . 1 1 984 984 SER H H 984 7.736 7.736 7.904 -0.168 25404 867 1 3 . 1 1 985 985 GLY N N 985 108.346 108.346 109.483 -1.137 25404 868 1 3 . 1 1 985 985 GLY C C 985 174.740 174.740 174.010 0.730 25404 869 1 3 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.748 1.015 25404 870 1 3 . 1 1 985 985 GLY H H 985 7.880 7.880 7.591 0.289 25404 871 1 3 . 1 1 986 986 ALA N N 986 123.024 123.024 122.809 0.215 25404 872 1 3 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.349 0.041 25404 873 1 3 . 1 1 986 986 ALA C C 986 177.887 177.887 177.038 0.849 25404 874 1 3 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.871 1.943 25404 875 1 3 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.706 0.694 25404 876 1 3 . 1 1 986 986 ALA H H 986 7.790 7.790 7.812 -0.022 25404 877 1 3 . 1 1 987 987 SER N N 987 111.887 111.887 113.784 -1.897 25404 878 1 3 . 1 1 987 987 SER HA H 987 4.730 4.730 4.496 0.234 25404 879 1 3 . 1 1 987 987 SER C C 987 174.429 174.429 174.230 0.199 25404 880 1 3 . 1 1 987 987 SER CA C 987 57.629 57.629 58.052 -0.423 25404 881 1 3 . 1 1 987 987 SER CB C 987 64.309 64.309 64.295 0.014 25404 882 1 3 . 1 1 987 987 SER H H 987 8.810 8.810 8.512 0.298 25404 883 1 3 . 1 1 988 988 ASP N N 988 120.053 120.053 124.599 -4.546 25404 884 1 3 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.697 0.238 25404 885 1 3 . 1 1 988 988 ASP C C 988 173.389 173.389 176.259 -2.870 25404 886 1 3 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.230 -0.817 25404 887 1 3 . 1 1 988 988 ASP CB C 988 40.160 40.160 41.403 -1.243 25404 888 1 3 . 1 1 988 988 ASP H H 988 7.933 7.933 8.227 -0.294 25404 889 1 3 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.292 0.028 25404 890 1 3 . 1 1 989 989 PRO C C 989 179.464 179.464 177.932 1.532 25404 891 1 3 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.814 0.942 25404 892 1 3 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.965 0.677 25404 893 1 3 . 1 1 990 990 ASP N N 990 118.727 118.727 117.793 0.934 25404 894 1 3 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.635 -0.048 25404 895 1 3 . 1 1 990 990 ASP C C 990 178.185 178.185 178.936 -0.751 25404 896 1 3 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.251 0.876 25404 897 1 3 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.900 0.290 25404 898 1 3 . 1 1 990 990 ASP H H 990 8.418 8.418 8.909 -0.491 25404 899 1 3 . 1 1 991 991 SER N N 991 121.204 121.204 116.415 4.789 25404 900 1 3 . 1 1 991 991 SER HA H 991 4.278 4.278 4.350 -0.072 25404 901 1 3 . 1 1 991 991 SER CA C 991 64.100 64.100 62.178 1.922 25404 902 1 3 . 1 1 991 991 SER CB C 991 62.832 62.832 63.271 -0.439 25404 903 1 3 . 1 1 991 991 SER H H 991 8.093 8.093 7.850 0.243 25404 904 1 3 . 1 1 992 992 GLN N N 992 119.137 119.137 120.260 -1.123 25404 905 1 3 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.042 0.242 25404 906 1 3 . 1 1 992 992 GLN C C 992 179.621 179.621 178.387 1.234 25404 907 1 3 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.805 0.865 25404 908 1 3 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.246 0.484 25404 909 1 3 . 1 1 992 992 GLN H H 992 8.131 8.131 8.223 -0.092 25404 910 1 3 . 1 1 993 993 ARG N N 993 122.037 122.037 119.999 2.038 25404 911 1 3 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.147 0.027 25404 912 1 3 . 1 1 993 993 ARG C C 993 179.465 179.465 178.596 0.869 25404 913 1 3 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.902 0.990 25404 914 1 3 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.887 0.405 25404 915 1 3 . 1 1 993 993 ARG H H 993 8.345 8.345 8.333 0.012 25404 916 1 3 . 1 1 994 994 TYR N N 994 122.855 122.855 121.962 0.893 25404 917 1 3 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.338 0.262 25404 918 1 3 . 1 1 994 994 TYR C C 994 176.468 176.468 177.531 -1.063 25404 919 1 3 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.425 2.253 25404 920 1 3 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.304 0.996 25404 921 1 3 . 1 1 994 994 TYR H H 994 9.285 9.285 8.420 0.865 25404 922 1 3 . 1 1 995 995 ASN N N 995 117.831 117.831 117.707 0.124 25404 923 1 3 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.170 0.379 25404 924 1 3 . 1 1 995 995 ASN C C 995 178.763 178.763 177.796 0.967 25404 925 1 3 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.232 0.710 25404 926 1 3 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.001 0.439 25404 927 1 3 . 1 1 995 995 ASN H H 995 8.678 8.678 8.312 0.366 25404 928 1 3 . 1 1 996 996 ALA N N 996 122.157 122.157 124.300 -2.143 25404 929 1 3 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.125 0.245 25404 930 1 3 . 1 1 996 996 ALA C C 996 179.848 179.848 179.114 0.734 25404 931 1 3 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.891 0.426 25404 932 1 3 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.553 0.137 25404 933 1 3 . 1 1 996 996 ALA H H 996 7.984 7.984 8.395 -0.411 25404 934 1 3 . 1 1 997 997 TRP N N 997 123.610 123.610 120.983 2.627 25404 935 1 3 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.165 0.216 25404 936 1 3 . 1 1 997 997 TRP C C 997 178.383 178.383 178.097 0.286 25404 937 1 3 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.854 0.328 25404 938 1 3 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.195 0.105 25404 939 1 3 . 1 1 997 997 TRP H H 997 8.760 8.760 8.434 0.326 25404 940 1 3 . 1 1 998 998 LEU N N 998 120.247 120.247 118.400 1.847 25404 941 1 3 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.348 0.222 25404 942 1 3 . 1 1 998 998 LEU C C 998 180.003 180.003 178.919 1.084 25404 943 1 3 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.890 0.033 25404 944 1 3 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.218 1.382 25404 945 1 3 . 1 1 998 998 LEU H H 998 9.030 9.030 8.021 1.009 25404 946 1 3 . 1 1 999 999 GLU N N 999 118.449 118.449 120.423 -1.974 25404 947 1 3 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.923 0.143 25404 948 1 3 . 1 1 999 999 GLU C C 999 178.785 178.785 179.147 -0.362 25404 949 1 3 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.645 -0.172 25404 950 1 3 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.641 0.219 25404 951 1 3 . 1 1 999 999 GLU H H 999 7.574 7.574 7.736 -0.162 25404 952 1 4 . 1 1 946 946 ALA HA H 946 4.400 4.400 5.111 -0.711 25404 953 1 4 . 1 1 946 946 ALA C C 946 177.730 177.730 178.022 -0.292 25404 954 1 4 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.593 1.352 25404 955 1 4 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.772 -0.002 25404 956 1 4 . 1 1 946 946 ALA H H 946 8.480 8.480 8.529 -0.049 25404 957 1 4 . 1 1 947 947 MET N N 947 119.619 119.619 119.846 -0.227 25404 958 1 4 . 1 1 947 947 MET HA H 947 4.520 4.520 4.407 0.113 25404 959 1 4 . 1 1 947 947 MET C C 947 175.878 175.878 177.292 -1.414 25404 960 1 4 . 1 1 947 947 MET CA C 947 55.676 55.676 55.700 -0.024 25404 961 1 4 . 1 1 947 947 MET CB C 947 33.450 33.450 31.551 1.899 25404 962 1 4 . 1 1 947 947 MET H H 947 8.468 8.468 8.461 0.007 25404 963 1 4 . 1 1 948 948 ALA N N 948 125.737 125.737 122.289 3.448 25404 964 1 4 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.094 0.073 25404 965 1 4 . 1 1 948 948 ALA C C 948 177.203 177.203 176.687 0.516 25404 966 1 4 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.881 -0.071 25404 967 1 4 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.860 0.662 25404 968 1 4 . 1 1 948 948 ALA H H 948 8.432 8.432 7.860 0.572 25404 969 1 4 . 1 1 949 949 ILE N N 949 119.982 119.982 114.506 5.476 25404 970 1 4 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.531 -0.331 25404 971 1 4 . 1 1 949 949 ILE C C 949 175.237 175.237 175.018 0.219 25404 972 1 4 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.091 0.309 25404 973 1 4 . 1 1 949 949 ILE CB C 949 39.460 39.460 39.659 -0.199 25404 974 1 4 . 1 1 949 949 ILE H H 949 8.049 8.049 8.086 -0.037 25404 975 1 4 . 1 1 950 950 ALA N N 950 127.463 127.463 127.142 0.321 25404 976 1 4 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.424 0.086 25404 977 1 4 . 1 1 950 950 ALA C C 950 176.693 176.693 176.240 0.453 25404 978 1 4 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.978 0.113 25404 979 1 4 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.064 0.996 25404 980 1 4 . 1 1 950 950 ALA H H 950 8.286 8.286 8.399 -0.114 25404 981 1 4 . 1 1 951 951 LEU N N 951 120.899 120.899 118.785 2.114 25404 982 1 4 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.004 0.596 25404 983 1 4 . 1 1 951 951 LEU C C 951 177.680 177.680 175.897 1.783 25404 984 1 4 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.338 -0.737 25404 985 1 4 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.828 1.372 25404 986 1 4 . 1 1 951 951 LEU H H 951 8.098 8.098 7.898 0.200 25404 987 1 4 . 1 1 952 952 ARG N N 952 122.793 122.793 120.245 2.548 25404 988 1 4 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.339 0.218 25404 989 1 4 . 1 1 952 952 ARG C C 952 177.543 177.543 177.367 0.176 25404 990 1 4 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.270 0.006 25404 991 1 4 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.924 1.906 25404 992 1 4 . 1 1 952 952 ARG H H 952 9.312 9.312 8.329 0.983 25404 993 1 4 . 1 1 953 953 ASP N N 953 122.129 122.129 121.281 0.848 25404 994 1 4 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.420 0.070 25404 995 1 4 . 1 1 953 953 ASP C C 953 177.472 177.472 178.201 -0.729 25404 996 1 4 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.106 -0.020 25404 997 1 4 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.253 0.227 25404 998 1 4 . 1 1 953 953 ASP H H 953 8.959 8.959 8.858 0.101 25404 999 1 4 . 1 1 954 954 ASP N N 954 116.531 116.531 118.830 -2.299 25404 1000 1 4 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.480 0.150 25404 1001 1 4 . 1 1 954 954 ASP C C 954 178.707 178.707 178.535 0.172 25404 1002 1 4 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.370 -0.469 25404 1003 1 4 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.088 0.012 25404 1004 1 4 . 1 1 954 954 ASP H H 954 8.776 8.776 8.626 0.150 25404 1005 1 4 . 1 1 955 955 GLU N N 955 121.514 121.514 120.385 1.129 25404 1006 1 4 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.245 0.305 25404 1007 1 4 . 1 1 955 955 GLU C C 955 177.302 177.302 179.002 -1.700 25404 1008 1 4 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.194 0.125 25404 1009 1 4 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.240 2.600 25404 1010 1 4 . 1 1 955 955 GLU H H 955 7.692 7.692 8.672 -0.980 25404 1011 1 4 . 1 1 956 956 TYR N N 956 120.780 120.780 121.471 -0.691 25404 1012 1 4 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.238 0.052 25404 1013 1 4 . 1 1 956 956 TYR C C 956 177.098 177.098 177.644 -0.546 25404 1014 1 4 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.025 0.925 25404 1015 1 4 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.619 -0.207 25404 1016 1 4 . 1 1 956 956 TYR H H 956 8.425 8.425 8.835 -0.410 25404 1017 1 4 . 1 1 957 957 ASP N N 957 118.102 118.102 118.734 -0.632 25404 1018 1 4 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.391 -0.021 25404 1019 1 4 . 1 1 957 957 ASP C C 957 177.919 177.919 178.712 -0.793 25404 1020 1 4 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.551 0.103 25404 1021 1 4 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.342 0.189 25404 1022 1 4 . 1 1 957 957 ASP H H 957 8.169 8.169 8.124 0.045 25404 1023 1 4 . 1 1 958 958 GLU N N 958 121.150 121.150 121.053 0.097 25404 1024 1 4 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.187 -0.127 25404 1025 1 4 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.362 1.748 25404 1026 1 4 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.933 0.897 25404 1027 1 4 . 1 1 958 958 GLU H H 958 7.782 7.782 7.834 -0.052 25404 1028 1 4 . 1 1 959 959 TRP N N 959 120.489 120.489 121.747 -1.258 25404 1029 1 4 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.620 -0.251 25404 1030 1 4 . 1 1 959 959 TRP C C 959 176.651 176.651 178.271 -1.620 25404 1031 1 4 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.640 -1.849 25404 1032 1 4 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.022 -1.252 25404 1033 1 4 . 1 1 959 959 TRP H H 959 8.089 8.089 8.252 -0.163 25404 1034 1 4 . 1 1 960 960 GLN N N 960 113.509 113.509 116.703 -3.194 25404 1035 1 4 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.195 -0.075 25404 1036 1 4 . 1 1 960 960 GLN C C 960 179.089 179.089 178.396 0.693 25404 1037 1 4 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.557 -0.226 25404 1038 1 4 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.489 0.981 25404 1039 1 4 . 1 1 960 960 GLN H H 960 7.946 7.946 7.831 0.115 25404 1040 1 4 . 1 1 961 961 ASP N N 961 120.534 120.534 120.586 -0.052 25404 1041 1 4 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.410 0.110 25404 1042 1 4 . 1 1 961 961 ASP C C 961 177.660 177.660 178.755 -1.095 25404 1043 1 4 . 1 1 961 961 ASP CA C 961 57.459 57.459 56.954 0.505 25404 1044 1 4 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.923 -0.553 25404 1045 1 4 . 1 1 961 961 ASP H H 961 8.253 8.253 7.958 0.295 25404 1046 1 4 . 1 1 962 962 ILE N N 962 124.280 124.280 120.820 3.460 25404 1047 1 4 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.983 0.087 25404 1048 1 4 . 1 1 962 962 ILE C C 962 177.301 177.301 177.413 -0.112 25404 1049 1 4 . 1 1 962 962 ILE CA C 962 66.100 66.100 62.883 3.217 25404 1050 1 4 . 1 1 962 962 ILE CB C 962 36.770 36.770 36.940 -0.170 25404 1051 1 4 . 1 1 962 962 ILE H H 962 8.600 8.600 7.664 0.936 25404 1052 1 4 . 1 1 963 963 ILE N N 963 121.368 121.368 120.190 1.178 25404 1053 1 4 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.565 0.295 25404 1054 1 4 . 1 1 963 963 ILE C C 963 179.751 179.751 177.472 2.279 25404 1055 1 4 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.703 -0.594 25404 1056 1 4 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.182 1.308 25404 1057 1 4 . 1 1 963 963 ILE H H 963 7.377 7.377 7.593 -0.216 25404 1058 1 4 . 1 1 964 964 ARG N N 964 119.627 119.627 119.355 0.272 25404 1059 1 4 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.866 0.204 25404 1060 1 4 . 1 1 964 964 ARG C C 964 179.065 179.065 178.855 0.210 25404 1061 1 4 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.628 -0.474 25404 1062 1 4 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.874 0.926 25404 1063 1 4 . 1 1 964 964 ARG H H 964 7.209 7.209 7.807 -0.598 25404 1064 1 4 . 1 1 965 965 ASP N N 965 119.847 119.847 121.010 -1.163 25404 1065 1 4 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.338 0.282 25404 1066 1 4 . 1 1 965 965 ASP C C 965 178.787 178.787 176.899 1.888 25404 1067 1 4 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.795 0.622 25404 1068 1 4 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.348 0.267 25404 1069 1 4 . 1 1 965 965 ASP H H 965 9.098 9.098 7.752 1.346 25404 1070 1 4 . 1 1 966 966 TRP N N 966 118.678 118.678 115.902 2.776 25404 1071 1 4 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.506 0.234 25404 1072 1 4 . 1 1 966 966 TRP C C 966 176.094 176.094 175.901 0.193 25404 1073 1 4 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.808 0.035 25404 1074 1 4 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.633 -1.033 25404 1075 1 4 . 1 1 966 966 TRP H H 966 9.253 9.253 7.055 2.198 25404 1076 1 4 . 1 1 967 967 ARG N N 967 116.998 116.998 116.268 0.730 25404 1077 1 4 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.998 0.032 25404 1078 1 4 . 1 1 967 967 ARG C C 967 174.965 174.965 175.616 -0.651 25404 1079 1 4 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.370 -0.364 25404 1080 1 4 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.337 -0.371 25404 1081 1 4 . 1 1 967 967 ARG H H 967 7.762 7.762 8.054 -0.292 25404 1082 1 4 . 1 1 968 968 LYS N N 968 117.708 117.708 117.533 0.175 25404 1083 1 4 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.518 0.122 25404 1084 1 4 . 1 1 968 968 LYS C C 968 174.258 174.258 174.169 0.089 25404 1085 1 4 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.781 0.458 25404 1086 1 4 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.713 1.401 25404 1087 1 4 . 1 1 968 968 LYS H H 968 7.462 7.462 7.616 -0.154 25404 1088 1 4 . 1 1 969 969 GLU N N 969 123.352 123.352 118.527 4.825 25404 1089 1 4 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.493 -0.326 25404 1090 1 4 . 1 1 969 969 GLU C C 969 175.962 175.962 175.211 0.751 25404 1091 1 4 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.509 1.637 25404 1092 1 4 . 1 1 969 969 GLU CB C 969 29.500 29.500 31.223 -1.723 25404 1093 1 4 . 1 1 969 969 GLU H H 969 8.559 8.559 8.227 0.332 25404 1094 1 4 . 1 1 970 970 MET N N 970 121.247 121.247 118.848 2.399 25404 1095 1 4 . 1 1 970 970 MET HA H 970 4.920 4.920 4.828 0.092 25404 1096 1 4 . 1 1 970 970 MET C C 970 176.884 176.884 174.739 2.145 25404 1097 1 4 . 1 1 970 970 MET CA C 970 55.546 55.546 54.181 1.365 25404 1098 1 4 . 1 1 970 970 MET CB C 970 36.772 36.772 35.397 1.375 25404 1099 1 4 . 1 1 970 970 MET H H 970 7.314 7.314 8.088 -0.774 25404 1100 1 4 . 1 1 971 971 THR N N 971 118.284 118.284 110.176 8.108 25404 1101 1 4 . 1 1 971 971 THR HA H 971 4.740 4.740 4.825 -0.085 25404 1102 1 4 . 1 1 971 971 THR C C 971 175.112 175.112 175.791 -0.679 25404 1103 1 4 . 1 1 971 971 THR CA C 971 61.582 61.582 60.947 0.635 25404 1104 1 4 . 1 1 971 971 THR CB C 971 71.203 71.203 70.239 0.964 25404 1105 1 4 . 1 1 971 971 THR H H 971 9.129 9.129 8.165 0.964 25404 1106 1 4 . 1 1 972 972 VAL N N 972 121.240 121.240 121.572 -0.332 25404 1107 1 4 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.065 -0.335 25404 1108 1 4 . 1 1 972 972 VAL C C 972 177.014 177.014 178.090 -1.076 25404 1109 1 4 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.750 1.360 25404 1110 1 4 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.090 0.210 25404 1111 1 4 . 1 1 972 972 VAL H H 972 8.745 8.745 8.261 0.484 25404 1112 1 4 . 1 1 973 973 GLN N N 973 117.672 117.672 118.287 -0.615 25404 1113 1 4 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.958 -0.128 25404 1114 1 4 . 1 1 973 973 GLN C C 973 178.206 178.206 178.240 -0.034 25404 1115 1 4 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.262 0.218 25404 1116 1 4 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.020 0.900 25404 1117 1 4 . 1 1 973 973 GLN H H 973 8.179 8.179 8.570 -0.391 25404 1118 1 4 . 1 1 974 974 GLN N N 974 118.023 118.023 118.916 -0.893 25404 1119 1 4 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.033 0.057 25404 1120 1 4 . 1 1 974 974 GLN C C 974 179.457 179.457 178.483 0.974 25404 1121 1 4 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.572 0.551 25404 1122 1 4 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.174 0.976 25404 1123 1 4 . 1 1 974 974 GLN H H 974 7.797 7.797 7.663 0.134 25404 1124 1 4 . 1 1 975 975 PHE N N 975 121.801 121.801 121.791 0.010 25404 1125 1 4 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.198 0.152 25404 1126 1 4 . 1 1 975 975 PHE C C 975 175.313 175.313 177.053 -1.740 25404 1127 1 4 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.056 -0.083 25404 1128 1 4 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.886 0.828 25404 1129 1 4 . 1 1 975 975 PHE H H 975 8.290 8.290 7.689 0.601 25404 1130 1 4 . 1 1 976 976 LEU N N 976 119.703 119.703 119.470 0.233 25404 1131 1 4 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.597 -0.073 25404 1132 1 4 . 1 1 976 976 LEU C C 976 180.091 180.091 178.684 1.407 25404 1133 1 4 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.806 -0.792 25404 1134 1 4 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.250 0.177 25404 1135 1 4 . 1 1 976 976 LEU H H 976 8.538 8.538 8.234 0.304 25404 1136 1 4 . 1 1 977 977 ASP N N 977 119.392 119.392 119.832 -0.440 25404 1137 1 4 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.301 0.009 25404 1138 1 4 . 1 1 977 977 ASP C C 977 178.035 178.035 178.507 -0.472 25404 1139 1 4 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.310 0.134 25404 1140 1 4 . 1 1 977 977 ASP CB C 977 41.102 41.102 41.191 -0.090 25404 1141 1 4 . 1 1 977 977 ASP H H 977 8.274 8.274 7.884 0.390 25404 1142 1 4 . 1 1 978 978 LEU N N 978 122.575 122.575 120.957 1.618 25404 1143 1 4 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.928 0.022 25404 1144 1 4 . 1 1 978 978 LEU C C 978 176.975 176.975 177.516 -0.541 25404 1145 1 4 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.602 0.787 25404 1146 1 4 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.520 0.579 25404 1147 1 4 . 1 1 978 978 LEU H H 978 7.648 7.648 7.850 -0.202 25404 1148 1 4 . 1 1 979 979 LYS N N 979 118.441 118.441 118.680 -0.239 25404 1149 1 4 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.509 -0.329 25404 1150 1 4 . 1 1 979 979 LYS C C 979 177.972 177.972 178.311 -0.339 25404 1151 1 4 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.636 0.524 25404 1152 1 4 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.332 1.268 25404 1153 1 4 . 1 1 979 979 LYS H H 979 7.958 7.958 7.749 0.209 25404 1154 1 4 . 1 1 980 980 GLU N N 980 117.008 117.008 120.424 -3.416 25404 1155 1 4 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.924 0.036 25404 1156 1 4 . 1 1 980 980 GLU C C 980 180.050 180.050 179.149 0.901 25404 1157 1 4 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.557 0.101 25404 1158 1 4 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.420 0.264 25404 1159 1 4 . 1 1 980 980 GLU H H 980 7.994 7.994 8.132 -0.138 25404 1160 1 4 . 1 1 981 981 ARG N N 981 119.530 119.530 118.358 1.172 25404 1161 1 4 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.033 0.147 25404 1162 1 4 . 1 1 981 981 ARG C C 981 179.556 179.556 178.720 0.836 25404 1163 1 4 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.687 -1.757 25404 1164 1 4 . 1 1 981 981 ARG CB C 981 29.750 29.750 29.891 -0.141 25404 1165 1 4 . 1 1 981 981 ARG H H 981 8.159 8.159 7.942 0.217 25404 1166 1 4 . 1 1 982 982 ALA N N 982 126.163 126.163 122.780 3.383 25404 1167 1 4 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.172 0.078 25404 1168 1 4 . 1 1 982 982 ALA C C 982 182.415 182.415 180.459 1.956 25404 1169 1 4 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.851 1.566 25404 1170 1 4 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.660 0.950 25404 1171 1 4 . 1 1 982 982 ALA H H 982 8.947 8.947 8.188 0.759 25404 1172 1 4 . 1 1 983 983 LEU N N 983 119.414 119.414 119.540 -0.126 25404 1173 1 4 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.173 0.257 25404 1174 1 4 . 1 1 983 983 LEU C C 983 178.652 178.652 178.966 -0.314 25404 1175 1 4 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.415 0.161 25404 1176 1 4 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.798 -0.428 25404 1177 1 4 . 1 1 983 983 LEU H H 983 8.638 8.638 8.841 -0.203 25404 1178 1 4 . 1 1 984 984 SER N N 984 113.275 113.275 113.491 -0.216 25404 1179 1 4 . 1 1 984 984 SER HA H 984 4.690 4.690 4.438 0.252 25404 1180 1 4 . 1 1 984 984 SER C C 984 174.726 174.726 175.150 -0.424 25404 1181 1 4 . 1 1 984 984 SER CA C 984 59.300 59.300 58.525 0.775 25404 1182 1 4 . 1 1 984 984 SER CB C 984 64.400 64.400 63.579 0.821 25404 1183 1 4 . 1 1 984 984 SER H H 984 7.736 7.736 7.885 -0.149 25404 1184 1 4 . 1 1 985 985 GLY N N 985 108.346 108.346 108.388 -0.042 25404 1185 1 4 . 1 1 985 985 GLY C C 985 174.740 174.740 174.104 0.636 25404 1186 1 4 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.721 1.042 25404 1187 1 4 . 1 1 985 985 GLY H H 985 7.880 7.880 7.749 0.131 25404 1188 1 4 . 1 1 986 986 ALA N N 986 123.024 123.024 122.342 0.682 25404 1189 1 4 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.311 0.079 25404 1190 1 4 . 1 1 986 986 ALA C C 986 177.887 177.887 177.222 0.665 25404 1191 1 4 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.606 2.208 25404 1192 1 4 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.858 0.542 25404 1193 1 4 . 1 1 986 986 ALA H H 986 7.790 7.790 7.891 -0.101 25404 1194 1 4 . 1 1 987 987 SER N N 987 111.887 111.887 115.719 -3.832 25404 1195 1 4 . 1 1 987 987 SER HA H 987 4.730 4.730 4.434 0.296 25404 1196 1 4 . 1 1 987 987 SER C C 987 174.429 174.429 173.995 0.434 25404 1197 1 4 . 1 1 987 987 SER CA C 987 57.629 57.629 58.217 -0.588 25404 1198 1 4 . 1 1 987 987 SER CB C 987 64.309 64.309 63.887 0.422 25404 1199 1 4 . 1 1 987 987 SER H H 987 8.810 8.810 8.648 0.162 25404 1200 1 4 . 1 1 988 988 ASP N N 988 120.053 120.053 122.795 -2.742 25404 1201 1 4 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.642 0.293 25404 1202 1 4 . 1 1 988 988 ASP C C 988 173.389 173.389 176.186 -2.797 25404 1203 1 4 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.967 -0.554 25404 1204 1 4 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.526 -0.366 25404 1205 1 4 . 1 1 988 988 ASP H H 988 7.933 7.933 8.107 -0.174 25404 1206 1 4 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.297 0.023 25404 1207 1 4 . 1 1 989 989 PRO C C 989 179.464 179.464 177.707 1.757 25404 1208 1 4 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.763 0.993 25404 1209 1 4 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.985 0.656 25404 1210 1 4 . 1 1 990 990 ASP N N 990 118.727 118.727 117.457 1.270 25404 1211 1 4 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.640 -0.053 25404 1212 1 4 . 1 1 990 990 ASP C C 990 178.185 178.185 178.735 -0.550 25404 1213 1 4 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.114 1.013 25404 1214 1 4 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.891 0.299 25404 1215 1 4 . 1 1 990 990 ASP H H 990 8.418 8.418 8.918 -0.500 25404 1216 1 4 . 1 1 991 991 SER N N 991 121.204 121.204 116.631 4.573 25404 1217 1 4 . 1 1 991 991 SER HA H 991 4.278 4.278 4.276 0.002 25404 1218 1 4 . 1 1 991 991 SER CA C 991 64.100 64.100 61.425 2.675 25404 1219 1 4 . 1 1 991 991 SER CB C 991 62.832 62.832 63.540 -0.708 25404 1220 1 4 . 1 1 991 991 SER H H 991 8.093 8.093 7.972 0.121 25404 1221 1 4 . 1 1 992 992 GLN N N 992 119.137 119.137 120.970 -1.833 25404 1222 1 4 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.096 0.188 25404 1223 1 4 . 1 1 992 992 GLN C C 992 179.621 179.621 178.655 0.966 25404 1224 1 4 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.735 0.935 25404 1225 1 4 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.463 0.267 25404 1226 1 4 . 1 1 992 992 GLN H H 992 8.131 8.131 7.962 0.169 25404 1227 1 4 . 1 1 993 993 ARG N N 993 122.037 122.037 120.241 1.796 25404 1228 1 4 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.139 0.035 25404 1229 1 4 . 1 1 993 993 ARG C C 993 179.465 179.465 178.826 0.639 25404 1230 1 4 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.497 0.395 25404 1231 1 4 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.324 -0.032 25404 1232 1 4 . 1 1 993 993 ARG H H 993 8.345 8.345 8.237 0.108 25404 1233 1 4 . 1 1 994 994 TYR N N 994 122.855 122.855 121.790 1.065 25404 1234 1 4 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.335 0.265 25404 1235 1 4 . 1 1 994 994 TYR C C 994 176.468 176.468 177.491 -1.023 25404 1236 1 4 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.154 2.524 25404 1237 1 4 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.379 0.921 25404 1238 1 4 . 1 1 994 994 TYR H H 994 9.285 9.285 8.400 0.885 25404 1239 1 4 . 1 1 995 995 ASN N N 995 117.831 117.831 117.783 0.048 25404 1240 1 4 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.123 0.426 25404 1241 1 4 . 1 1 995 995 ASN C C 995 178.763 178.763 177.783 0.980 25404 1242 1 4 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.057 0.885 25404 1243 1 4 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.811 0.629 25404 1244 1 4 . 1 1 995 995 ASN H H 995 8.678 8.678 8.328 0.350 25404 1245 1 4 . 1 1 996 996 ALA N N 996 122.157 122.157 124.173 -2.016 25404 1246 1 4 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.134 0.236 25404 1247 1 4 . 1 1 996 996 ALA C C 996 179.848 179.848 179.094 0.754 25404 1248 1 4 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.791 0.526 25404 1249 1 4 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.582 0.108 25404 1250 1 4 . 1 1 996 996 ALA H H 996 7.984 7.984 8.080 -0.096 25404 1251 1 4 . 1 1 997 997 TRP N N 997 123.610 123.610 121.371 2.239 25404 1252 1 4 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.197 0.184 25404 1253 1 4 . 1 1 997 997 TRP C C 997 178.383 178.383 177.719 0.664 25404 1254 1 4 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.338 -0.156 25404 1255 1 4 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.191 0.109 25404 1256 1 4 . 1 1 997 997 TRP H H 997 8.760 8.760 8.511 0.249 25404 1257 1 4 . 1 1 998 998 LEU N N 998 120.247 120.247 118.364 1.883 25404 1258 1 4 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.513 0.057 25404 1259 1 4 . 1 1 998 998 LEU C C 998 180.003 180.003 178.678 1.325 25404 1260 1 4 . 1 1 998 998 LEU CA C 998 57.923 57.923 58.074 -0.151 25404 1261 1 4 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.387 1.213 25404 1262 1 4 . 1 1 998 998 LEU H H 998 9.030 9.030 8.038 0.992 25404 1263 1 4 . 1 1 999 999 GLU N N 999 118.449 118.449 120.322 -1.873 25404 1264 1 4 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.920 0.146 25404 1265 1 4 . 1 1 999 999 GLU C C 999 178.785 178.785 179.107 -0.322 25404 1266 1 4 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.640 -0.167 25404 1267 1 4 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.608 0.253 25404 1268 1 4 . 1 1 999 999 GLU H H 999 7.574 7.574 7.644 -0.070 25404 1269 1 5 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.495 -0.095 25404 1270 1 5 . 1 1 946 946 ALA C C 946 177.730 177.730 177.663 0.067 25404 1271 1 5 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.666 1.279 25404 1272 1 5 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.648 0.122 25404 1273 1 5 . 1 1 946 946 ALA H H 946 8.480 8.480 7.993 0.487 25404 1274 1 5 . 1 1 947 947 MET N N 947 119.619 119.619 122.623 -3.004 25404 1275 1 5 . 1 1 947 947 MET HA H 947 4.520 4.520 4.525 -0.005 25404 1276 1 5 . 1 1 947 947 MET C C 947 175.878 175.878 175.545 0.333 25404 1277 1 5 . 1 1 947 947 MET CA C 947 55.676 55.676 54.881 0.795 25404 1278 1 5 . 1 1 947 947 MET CB C 947 33.450 33.450 31.818 1.632 25404 1279 1 5 . 1 1 947 947 MET H H 947 8.468 8.468 8.507 -0.039 25404 1280 1 5 . 1 1 948 948 ALA N N 948 125.737 125.737 127.383 -1.646 25404 1281 1 5 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.173 -0.006 25404 1282 1 5 . 1 1 948 948 ALA C C 948 177.203 177.203 178.564 -1.361 25404 1283 1 5 . 1 1 948 948 ALA CA C 948 52.810 52.810 54.424 -1.614 25404 1284 1 5 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.550 0.972 25404 1285 1 5 . 1 1 948 948 ALA H H 948 8.432 8.432 8.397 0.035 25404 1286 1 5 . 1 1 949 949 ILE N N 949 119.982 119.982 115.842 4.140 25404 1287 1 5 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.943 0.257 25404 1288 1 5 . 1 1 949 949 ILE C C 949 175.237 175.237 175.974 -0.737 25404 1289 1 5 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.559 -0.158 25404 1290 1 5 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.764 1.696 25404 1291 1 5 . 1 1 949 949 ILE H H 949 8.049 8.049 7.772 0.277 25404 1292 1 5 . 1 1 950 950 ALA N N 950 127.463 127.463 119.979 7.484 25404 1293 1 5 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.045 0.465 25404 1294 1 5 . 1 1 950 950 ALA C C 950 176.693 176.693 176.853 -0.160 25404 1295 1 5 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.983 -0.892 25404 1296 1 5 . 1 1 950 950 ALA CB C 950 20.060 20.060 17.306 2.754 25404 1297 1 5 . 1 1 950 950 ALA H H 950 8.286 8.286 7.969 0.317 25404 1298 1 5 . 1 1 951 951 LEU N N 951 120.899 120.899 119.882 1.017 25404 1299 1 5 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.299 0.301 25404 1300 1 5 . 1 1 951 951 LEU C C 951 177.680 177.680 177.015 0.665 25404 1301 1 5 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.069 -0.468 25404 1302 1 5 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.630 1.570 25404 1303 1 5 . 1 1 951 951 LEU H H 951 8.098 8.098 7.637 0.461 25404 1304 1 5 . 1 1 952 952 ARG N N 952 122.793 122.793 122.045 0.748 25404 1305 1 5 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.480 0.077 25404 1306 1 5 . 1 1 952 952 ARG C C 952 177.543 177.543 177.165 0.378 25404 1307 1 5 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.603 0.673 25404 1308 1 5 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.291 1.539 25404 1309 1 5 . 1 1 952 952 ARG H H 952 9.312 9.312 8.284 1.028 25404 1310 1 5 . 1 1 953 953 ASP N N 953 122.129 122.129 120.229 1.900 25404 1311 1 5 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.371 0.119 25404 1312 1 5 . 1 1 953 953 ASP C C 953 177.472 177.472 178.122 -0.650 25404 1313 1 5 . 1 1 953 953 ASP CA C 953 58.086 58.086 57.560 0.526 25404 1314 1 5 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.121 0.359 25404 1315 1 5 . 1 1 953 953 ASP H H 953 8.959 8.959 8.791 0.168 25404 1316 1 5 . 1 1 954 954 ASP N N 954 116.531 116.531 119.703 -3.172 25404 1317 1 5 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.515 0.115 25404 1318 1 5 . 1 1 954 954 ASP C C 954 178.707 178.707 178.325 0.382 25404 1319 1 5 . 1 1 954 954 ASP CA C 954 56.901 56.901 56.686 0.215 25404 1320 1 5 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.759 -0.659 25404 1321 1 5 . 1 1 954 954 ASP H H 954 8.776 8.776 8.585 0.191 25404 1322 1 5 . 1 1 955 955 GLU N N 955 121.514 121.514 120.502 1.012 25404 1323 1 5 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.197 0.353 25404 1324 1 5 . 1 1 955 955 GLU C C 955 177.302 177.302 178.838 -1.536 25404 1325 1 5 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.139 0.180 25404 1326 1 5 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.316 2.525 25404 1327 1 5 . 1 1 955 955 GLU H H 955 7.692 7.692 8.499 -0.807 25404 1328 1 5 . 1 1 956 956 TYR N N 956 120.780 120.780 121.277 -0.497 25404 1329 1 5 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.207 0.083 25404 1330 1 5 . 1 1 956 956 TYR C C 956 177.098 177.098 177.480 -0.382 25404 1331 1 5 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.895 1.055 25404 1332 1 5 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.607 -0.195 25404 1333 1 5 . 1 1 956 956 TYR H H 956 8.425 8.425 8.796 -0.371 25404 1334 1 5 . 1 1 957 957 ASP N N 957 118.102 118.102 118.574 -0.472 25404 1335 1 5 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.345 0.025 25404 1336 1 5 . 1 1 957 957 ASP C C 957 177.919 177.919 178.767 -0.848 25404 1337 1 5 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.294 0.360 25404 1338 1 5 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.486 0.045 25404 1339 1 5 . 1 1 957 957 ASP H H 957 8.169 8.169 8.003 0.166 25404 1340 1 5 . 1 1 958 958 GLU N N 958 121.150 121.150 120.391 0.759 25404 1341 1 5 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.209 -0.149 25404 1342 1 5 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.075 2.035 25404 1343 1 5 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.719 1.111 25404 1344 1 5 . 1 1 958 958 GLU H H 958 7.782 7.782 7.669 0.113 25404 1345 1 5 . 1 1 959 959 TRP N N 959 120.489 120.489 122.134 -1.645 25404 1346 1 5 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.440 -0.071 25404 1347 1 5 . 1 1 959 959 TRP C C 959 176.651 176.651 177.742 -1.091 25404 1348 1 5 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.134 -2.343 25404 1349 1 5 . 1 1 959 959 TRP CB C 959 27.770 27.770 28.901 -1.131 25404 1350 1 5 . 1 1 959 959 TRP H H 959 8.089 8.089 8.374 -0.285 25404 1351 1 5 . 1 1 960 960 GLN N N 960 113.509 113.509 116.129 -2.620 25404 1352 1 5 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.242 -0.122 25404 1353 1 5 . 1 1 960 960 GLN C C 960 179.089 179.089 178.446 0.643 25404 1354 1 5 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.477 -0.146 25404 1355 1 5 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.411 1.059 25404 1356 1 5 . 1 1 960 960 GLN H H 960 7.946 7.946 7.817 0.129 25404 1357 1 5 . 1 1 961 961 ASP N N 961 120.534 120.534 120.748 -0.214 25404 1358 1 5 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.373 0.147 25404 1359 1 5 . 1 1 961 961 ASP C C 961 177.660 177.660 178.570 -0.910 25404 1360 1 5 . 1 1 961 961 ASP CA C 961 57.459 57.459 56.957 0.502 25404 1361 1 5 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.776 -0.406 25404 1362 1 5 . 1 1 961 961 ASP H H 961 8.253 8.253 7.827 0.426 25404 1363 1 5 . 1 1 962 962 ILE N N 962 124.280 124.280 120.831 3.449 25404 1364 1 5 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.312 -0.242 25404 1365 1 5 . 1 1 962 962 ILE C C 962 177.301 177.301 177.288 0.013 25404 1366 1 5 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.163 2.937 25404 1367 1 5 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.976 -1.206 25404 1368 1 5 . 1 1 962 962 ILE H H 962 8.600 8.600 7.595 1.005 25404 1369 1 5 . 1 1 963 963 ILE N N 963 121.368 121.368 121.153 0.215 25404 1370 1 5 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.656 0.204 25404 1371 1 5 . 1 1 963 963 ILE C C 963 179.751 179.751 177.900 1.851 25404 1372 1 5 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.279 -0.171 25404 1373 1 5 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.428 1.062 25404 1374 1 5 . 1 1 963 963 ILE H H 963 7.377 7.377 7.476 -0.099 25404 1375 1 5 . 1 1 964 964 ARG N N 964 119.627 119.627 119.075 0.552 25404 1376 1 5 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.904 0.166 25404 1377 1 5 . 1 1 964 964 ARG C C 964 179.065 179.065 178.844 0.221 25404 1378 1 5 . 1 1 964 964 ARG CA C 964 59.154 59.154 58.667 0.487 25404 1379 1 5 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.472 1.328 25404 1380 1 5 . 1 1 964 964 ARG H H 964 7.209 7.209 7.629 -0.420 25404 1381 1 5 . 1 1 965 965 ASP N N 965 119.847 119.847 120.319 -0.472 25404 1382 1 5 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.288 0.332 25404 1383 1 5 . 1 1 965 965 ASP C C 965 178.787 178.787 177.702 1.085 25404 1384 1 5 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.758 0.659 25404 1385 1 5 . 1 1 965 965 ASP CB C 965 40.615 40.615 39.968 0.647 25404 1386 1 5 . 1 1 965 965 ASP H H 965 9.098 9.098 7.622 1.476 25404 1387 1 5 . 1 1 966 966 TRP N N 966 118.678 118.678 117.257 1.421 25404 1388 1 5 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.533 0.207 25404 1389 1 5 . 1 1 966 966 TRP C C 966 176.094 176.094 175.594 0.500 25404 1390 1 5 . 1 1 966 966 TRP CA C 966 56.843 56.843 57.095 -0.252 25404 1391 1 5 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.357 -0.757 25404 1392 1 5 . 1 1 966 966 TRP H H 966 9.253 9.253 7.577 1.676 25404 1393 1 5 . 1 1 967 967 ARG N N 967 116.998 116.998 113.229 3.769 25404 1394 1 5 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.893 0.137 25404 1395 1 5 . 1 1 967 967 ARG C C 967 174.965 174.965 174.996 -0.031 25404 1396 1 5 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.550 -0.544 25404 1397 1 5 . 1 1 967 967 ARG CB C 967 26.966 26.966 28.008 -1.042 25404 1398 1 5 . 1 1 967 967 ARG H H 967 7.762 7.762 7.545 0.217 25404 1399 1 5 . 1 1 968 968 LYS N N 968 117.708 117.708 116.483 1.225 25404 1400 1 5 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.506 0.134 25404 1401 1 5 . 1 1 968 968 LYS C C 968 174.258 174.258 173.864 0.394 25404 1402 1 5 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.872 0.367 25404 1403 1 5 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.045 1.069 25404 1404 1 5 . 1 1 968 968 LYS H H 968 7.462 7.462 7.464 -0.002 25404 1405 1 5 . 1 1 969 969 GLU N N 969 123.352 123.352 121.701 1.651 25404 1406 1 5 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.275 -0.108 25404 1407 1 5 . 1 1 969 969 GLU C C 969 175.962 175.962 175.725 0.237 25404 1408 1 5 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.808 0.338 25404 1409 1 5 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.021 -0.521 25404 1410 1 5 . 1 1 969 969 GLU H H 969 8.559 8.559 8.432 0.127 25404 1411 1 5 . 1 1 970 970 MET N N 970 121.247 121.247 121.648 -0.401 25404 1412 1 5 . 1 1 970 970 MET HA H 970 4.920 4.920 5.076 -0.156 25404 1413 1 5 . 1 1 970 970 MET C C 970 176.884 176.884 174.891 1.993 25404 1414 1 5 . 1 1 970 970 MET CA C 970 55.546 55.546 54.052 1.494 25404 1415 1 5 . 1 1 970 970 MET CB C 970 36.772 36.772 35.440 1.332 25404 1416 1 5 . 1 1 970 970 MET H H 970 7.314 7.314 8.170 -0.856 25404 1417 1 5 . 1 1 971 971 THR N N 971 118.284 118.284 109.838 8.446 25404 1418 1 5 . 1 1 971 971 THR HA H 971 4.740 4.740 4.918 -0.178 25404 1419 1 5 . 1 1 971 971 THR C C 971 175.112 175.112 175.025 0.087 25404 1420 1 5 . 1 1 971 971 THR CA C 971 61.582 61.582 60.658 0.924 25404 1421 1 5 . 1 1 971 971 THR CB C 971 71.203 71.203 71.088 0.115 25404 1422 1 5 . 1 1 971 971 THR H H 971 9.129 9.129 7.984 1.145 25404 1423 1 5 . 1 1 972 972 VAL N N 972 121.240 121.240 122.840 -1.600 25404 1424 1 5 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.268 -0.538 25404 1425 1 5 . 1 1 972 972 VAL C C 972 177.014 177.014 178.085 -1.071 25404 1426 1 5 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.016 2.094 25404 1427 1 5 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.094 0.206 25404 1428 1 5 . 1 1 972 972 VAL H H 972 8.745 8.745 8.358 0.387 25404 1429 1 5 . 1 1 973 973 GLN N N 973 117.672 117.672 117.994 -0.322 25404 1430 1 5 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.776 0.054 25404 1431 1 5 . 1 1 973 973 GLN C C 973 178.206 178.206 178.424 -0.218 25404 1432 1 5 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.783 -0.303 25404 1433 1 5 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.156 0.764 25404 1434 1 5 . 1 1 973 973 GLN H H 973 8.179 8.179 8.675 -0.496 25404 1435 1 5 . 1 1 974 974 GLN N N 974 118.023 118.023 118.538 -0.515 25404 1436 1 5 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.017 0.073 25404 1437 1 5 . 1 1 974 974 GLN C C 974 179.457 179.457 178.384 1.073 25404 1438 1 5 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.682 0.441 25404 1439 1 5 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.105 1.045 25404 1440 1 5 . 1 1 974 974 GLN H H 974 7.797 7.797 7.746 0.051 25404 1441 1 5 . 1 1 975 975 PHE N N 975 121.801 121.801 121.621 0.180 25404 1442 1 5 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.170 0.180 25404 1443 1 5 . 1 1 975 975 PHE C C 975 175.313 175.313 177.153 -1.840 25404 1444 1 5 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.173 -0.200 25404 1445 1 5 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.113 0.602 25404 1446 1 5 . 1 1 975 975 PHE H H 975 8.290 8.290 7.656 0.634 25404 1447 1 5 . 1 1 976 976 LEU N N 976 119.703 119.703 120.961 -1.258 25404 1448 1 5 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.611 -0.087 25404 1449 1 5 . 1 1 976 976 LEU C C 976 180.091 180.091 177.875 2.216 25404 1450 1 5 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.229 -0.215 25404 1451 1 5 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.303 0.124 25404 1452 1 5 . 1 1 976 976 LEU H H 976 8.538 8.538 8.882 -0.344 25404 1453 1 5 . 1 1 977 977 ASP N N 977 119.392 119.392 119.242 0.150 25404 1454 1 5 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.293 0.017 25404 1455 1 5 . 1 1 977 977 ASP C C 977 178.035 178.035 178.665 -0.630 25404 1456 1 5 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.132 0.312 25404 1457 1 5 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.758 0.344 25404 1458 1 5 . 1 1 977 977 ASP H H 977 8.274 8.274 8.422 -0.148 25404 1459 1 5 . 1 1 978 978 LEU N N 978 122.575 122.575 120.854 1.721 25404 1460 1 5 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.942 0.008 25404 1461 1 5 . 1 1 978 978 LEU C C 978 176.975 176.975 177.733 -0.758 25404 1462 1 5 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.546 0.844 25404 1463 1 5 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.645 0.455 25404 1464 1 5 . 1 1 978 978 LEU H H 978 7.648 7.648 7.820 -0.172 25404 1465 1 5 . 1 1 979 979 LYS N N 979 118.441 118.441 118.496 -0.055 25404 1466 1 5 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.569 -0.389 25404 1467 1 5 . 1 1 979 979 LYS C C 979 177.972 177.972 178.544 -0.572 25404 1468 1 5 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.394 0.766 25404 1469 1 5 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.523 1.077 25404 1470 1 5 . 1 1 979 979 LYS H H 979 7.958 7.958 8.077 -0.119 25404 1471 1 5 . 1 1 980 980 GLU N N 980 117.008 117.008 120.529 -3.521 25404 1472 1 5 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.981 -0.021 25404 1473 1 5 . 1 1 980 980 GLU C C 980 180.050 180.050 179.135 0.915 25404 1474 1 5 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.269 0.389 25404 1475 1 5 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.245 0.439 25404 1476 1 5 . 1 1 980 980 GLU H H 980 7.994 7.994 8.206 -0.212 25404 1477 1 5 . 1 1 981 981 ARG N N 981 119.530 119.530 119.074 0.456 25404 1478 1 5 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.005 0.175 25404 1479 1 5 . 1 1 981 981 ARG C C 981 179.556 179.556 178.731 0.825 25404 1480 1 5 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.127 -2.197 25404 1481 1 5 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.187 -0.437 25404 1482 1 5 . 1 1 981 981 ARG H H 981 8.159 8.159 7.958 0.201 25404 1483 1 5 . 1 1 982 982 ALA N N 982 126.163 126.163 122.798 3.365 25404 1484 1 5 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.196 0.054 25404 1485 1 5 . 1 1 982 982 ALA C C 982 182.415 182.415 180.343 2.072 25404 1486 1 5 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.852 1.565 25404 1487 1 5 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.702 0.908 25404 1488 1 5 . 1 1 982 982 ALA H H 982 8.947 8.947 8.189 0.758 25404 1489 1 5 . 1 1 983 983 LEU N N 983 119.414 119.414 119.169 0.245 25404 1490 1 5 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.200 0.230 25404 1491 1 5 . 1 1 983 983 LEU C C 983 178.652 178.652 179.025 -0.373 25404 1492 1 5 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.360 0.216 25404 1493 1 5 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.825 -0.456 25404 1494 1 5 . 1 1 983 983 LEU H H 983 8.638 8.638 8.731 -0.093 25404 1495 1 5 . 1 1 984 984 SER N N 984 113.275 113.275 113.975 -0.700 25404 1496 1 5 . 1 1 984 984 SER HA H 984 4.690 4.690 4.458 0.232 25404 1497 1 5 . 1 1 984 984 SER C C 984 174.726 174.726 175.081 -0.355 25404 1498 1 5 . 1 1 984 984 SER CA C 984 59.300 59.300 58.387 0.913 25404 1499 1 5 . 1 1 984 984 SER CB C 984 64.400 64.400 63.504 0.896 25404 1500 1 5 . 1 1 984 984 SER H H 984 7.736 7.736 7.862 -0.126 25404 1501 1 5 . 1 1 985 985 GLY N N 985 108.346 108.346 108.044 0.302 25404 1502 1 5 . 1 1 985 985 GLY C C 985 174.740 174.740 173.810 0.930 25404 1503 1 5 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.982 0.781 25404 1504 1 5 . 1 1 985 985 GLY H H 985 7.880 7.880 7.543 0.337 25404 1505 1 5 . 1 1 986 986 ALA N N 986 123.024 123.024 122.789 0.235 25404 1506 1 5 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.393 -0.003 25404 1507 1 5 . 1 1 986 986 ALA C C 986 177.887 177.887 177.442 0.445 25404 1508 1 5 . 1 1 986 986 ALA CA C 986 53.814 53.814 52.078 1.736 25404 1509 1 5 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.875 0.525 25404 1510 1 5 . 1 1 986 986 ALA H H 986 7.790 7.790 8.019 -0.229 25404 1511 1 5 . 1 1 987 987 SER N N 987 111.887 111.887 115.239 -3.352 25404 1512 1 5 . 1 1 987 987 SER HA H 987 4.730 4.730 4.465 0.265 25404 1513 1 5 . 1 1 987 987 SER C C 987 174.429 174.429 174.200 0.229 25404 1514 1 5 . 1 1 987 987 SER CA C 987 57.629 57.629 58.093 -0.463 25404 1515 1 5 . 1 1 987 987 SER CB C 987 64.309 64.309 63.677 0.632 25404 1516 1 5 . 1 1 987 987 SER H H 987 8.810 8.810 8.594 0.216 25404 1517 1 5 . 1 1 988 988 ASP N N 988 120.053 120.053 125.276 -5.223 25404 1518 1 5 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.613 0.322 25404 1519 1 5 . 1 1 988 988 ASP C C 988 173.389 173.389 176.113 -2.724 25404 1520 1 5 . 1 1 988 988 ASP CA C 988 53.413 53.413 55.043 -1.630 25404 1521 1 5 . 1 1 988 988 ASP CB C 988 40.160 40.160 41.160 -1.000 25404 1522 1 5 . 1 1 988 988 ASP H H 988 7.933 7.933 8.066 -0.133 25404 1523 1 5 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.207 0.113 25404 1524 1 5 . 1 1 989 989 PRO C C 989 179.464 179.464 178.116 1.348 25404 1525 1 5 . 1 1 989 989 PRO CA C 989 66.756 66.756 66.045 0.711 25404 1526 1 5 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.905 0.737 25404 1527 1 5 . 1 1 990 990 ASP N N 990 118.727 118.727 118.357 0.370 25404 1528 1 5 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.682 -0.095 25404 1529 1 5 . 1 1 990 990 ASP C C 990 178.185 178.185 179.134 -0.949 25404 1530 1 5 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.045 1.082 25404 1531 1 5 . 1 1 990 990 ASP CB C 990 40.190 40.190 40.135 0.055 25404 1532 1 5 . 1 1 990 990 ASP H H 990 8.418 8.418 8.765 -0.347 25404 1533 1 5 . 1 1 991 991 SER N N 991 121.204 121.204 116.128 5.076 25404 1534 1 5 . 1 1 991 991 SER HA H 991 4.278 4.278 4.293 -0.015 25404 1535 1 5 . 1 1 991 991 SER CA C 991 64.100 64.100 62.265 1.835 25404 1536 1 5 . 1 1 991 991 SER CB C 991 62.832 62.832 63.282 -0.450 25404 1537 1 5 . 1 1 991 991 SER H H 991 8.093 8.093 8.136 -0.043 25404 1538 1 5 . 1 1 992 992 GLN N N 992 119.137 119.137 119.999 -0.862 25404 1539 1 5 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.110 0.174 25404 1540 1 5 . 1 1 992 992 GLN C C 992 179.621 179.621 178.500 1.121 25404 1541 1 5 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.885 0.785 25404 1542 1 5 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.258 0.472 25404 1543 1 5 . 1 1 992 992 GLN H H 992 8.131 8.131 8.445 -0.314 25404 1544 1 5 . 1 1 993 993 ARG N N 993 122.037 122.037 120.500 1.537 25404 1545 1 5 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.075 0.099 25404 1546 1 5 . 1 1 993 993 ARG C C 993 179.465 179.465 178.822 0.643 25404 1547 1 5 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.529 0.363 25404 1548 1 5 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.236 0.056 25404 1549 1 5 . 1 1 993 993 ARG H H 993 8.345 8.345 8.112 0.233 25404 1550 1 5 . 1 1 994 994 TYR N N 994 122.855 122.855 121.417 1.438 25404 1551 1 5 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.303 0.297 25404 1552 1 5 . 1 1 994 994 TYR C C 994 176.468 176.468 177.591 -1.123 25404 1553 1 5 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.905 1.773 25404 1554 1 5 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.486 0.814 25404 1555 1 5 . 1 1 994 994 TYR H H 994 9.285 9.285 8.543 0.742 25404 1556 1 5 . 1 1 995 995 ASN N N 995 117.831 117.831 117.782 0.049 25404 1557 1 5 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.267 0.282 25404 1558 1 5 . 1 1 995 995 ASN C C 995 178.763 178.763 177.826 0.937 25404 1559 1 5 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.076 0.866 25404 1560 1 5 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.798 0.642 25404 1561 1 5 . 1 1 995 995 ASN H H 995 8.678 8.678 8.433 0.245 25404 1562 1 5 . 1 1 996 996 ALA N N 996 122.157 122.157 123.082 -0.925 25404 1563 1 5 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.084 0.286 25404 1564 1 5 . 1 1 996 996 ALA C C 996 179.848 179.848 179.252 0.596 25404 1565 1 5 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.970 0.347 25404 1566 1 5 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.227 0.463 25404 1567 1 5 . 1 1 996 996 ALA H H 996 7.984 7.984 8.019 -0.035 25404 1568 1 5 . 1 1 997 997 TRP N N 997 123.610 123.610 121.010 2.600 25404 1569 1 5 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.133 0.248 25404 1570 1 5 . 1 1 997 997 TRP C C 997 178.383 178.383 177.852 0.531 25404 1571 1 5 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.605 0.577 25404 1572 1 5 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.087 0.213 25404 1573 1 5 . 1 1 997 997 TRP H H 997 8.760 8.760 8.223 0.537 25404 1574 1 5 . 1 1 998 998 LEU N N 998 120.247 120.247 118.452 1.795 25404 1575 1 5 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.189 0.381 25404 1576 1 5 . 1 1 998 998 LEU C C 998 180.003 180.003 178.745 1.258 25404 1577 1 5 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.793 0.130 25404 1578 1 5 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.264 1.336 25404 1579 1 5 . 1 1 998 998 LEU H H 998 9.030 9.030 7.873 1.157 25404 1580 1 5 . 1 1 999 999 GLU N N 999 118.449 118.449 120.000 -1.551 25404 1581 1 5 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.951 0.115 25404 1582 1 5 . 1 1 999 999 GLU C C 999 178.785 178.785 178.944 -0.159 25404 1583 1 5 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.175 0.298 25404 1584 1 5 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.238 0.622 25404 1585 1 5 . 1 1 999 999 GLU H H 999 7.574 7.574 7.620 -0.046 25404 1586 1 6 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.522 -0.122 25404 1587 1 6 . 1 1 946 946 ALA C C 946 177.730 177.730 175.768 1.962 25404 1588 1 6 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.793 1.152 25404 1589 1 6 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.979 -0.209 25404 1590 1 6 . 1 1 946 946 ALA H H 946 8.480 8.480 7.999 0.481 25404 1591 1 6 . 1 1 947 947 MET N N 947 119.619 119.619 124.044 -4.425 25404 1592 1 6 . 1 1 947 947 MET HA H 947 4.520 4.520 4.676 -0.156 25404 1593 1 6 . 1 1 947 947 MET C C 947 175.878 175.878 175.431 0.447 25404 1594 1 6 . 1 1 947 947 MET CA C 947 55.676 55.676 54.259 1.417 25404 1595 1 6 . 1 1 947 947 MET CB C 947 33.450 33.450 30.808 2.642 25404 1596 1 6 . 1 1 947 947 MET H H 947 8.468 8.468 8.570 -0.102 25404 1597 1 6 . 1 1 948 948 ALA N N 948 125.737 125.737 127.262 -1.525 25404 1598 1 6 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.529 -0.362 25404 1599 1 6 . 1 1 948 948 ALA C C 948 177.203 177.203 177.256 -0.053 25404 1600 1 6 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.907 -0.097 25404 1601 1 6 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.853 -0.331 25404 1602 1 6 . 1 1 948 948 ALA H H 948 8.432 8.432 8.341 0.091 25404 1603 1 6 . 1 1 949 949 ILE N N 949 119.982 119.982 117.114 2.868 25404 1604 1 6 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.378 -0.178 25404 1605 1 6 . 1 1 949 949 ILE C C 949 175.237 175.237 176.010 -0.773 25404 1606 1 6 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.174 1.226 25404 1607 1 6 . 1 1 949 949 ILE CB C 949 39.460 39.460 40.361 -0.901 25404 1608 1 6 . 1 1 949 949 ILE H H 949 8.049 8.049 7.845 0.204 25404 1609 1 6 . 1 1 950 950 ALA N N 950 127.463 127.463 124.322 3.141 25404 1610 1 6 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.166 0.344 25404 1611 1 6 . 1 1 950 950 ALA C C 950 176.693 176.693 177.338 -0.645 25404 1612 1 6 . 1 1 950 950 ALA CA C 950 52.091 52.091 53.344 -1.253 25404 1613 1 6 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.858 1.202 25404 1614 1 6 . 1 1 950 950 ALA H H 950 8.286 8.286 8.267 0.019 25404 1615 1 6 . 1 1 951 951 LEU N N 951 120.899 120.899 120.238 0.661 25404 1616 1 6 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.334 0.266 25404 1617 1 6 . 1 1 951 951 LEU C C 951 177.680 177.680 176.718 0.962 25404 1618 1 6 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.687 -0.086 25404 1619 1 6 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.504 1.696 25404 1620 1 6 . 1 1 951 951 LEU H H 951 8.098 8.098 7.596 0.502 25404 1621 1 6 . 1 1 952 952 ARG N N 952 122.793 122.793 122.051 0.742 25404 1622 1 6 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.285 0.272 25404 1623 1 6 . 1 1 952 952 ARG C C 952 177.543 177.543 177.264 0.279 25404 1624 1 6 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.985 0.291 25404 1625 1 6 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.187 1.643 25404 1626 1 6 . 1 1 952 952 ARG H H 952 9.312 9.312 8.461 0.851 25404 1627 1 6 . 1 1 953 953 ASP N N 953 122.129 122.129 120.520 1.609 25404 1628 1 6 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.367 0.123 25404 1629 1 6 . 1 1 953 953 ASP C C 953 177.472 177.472 178.197 -0.725 25404 1630 1 6 . 1 1 953 953 ASP CA C 953 58.086 58.086 57.605 0.481 25404 1631 1 6 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.146 0.334 25404 1632 1 6 . 1 1 953 953 ASP H H 953 8.959 8.959 8.819 0.140 25404 1633 1 6 . 1 1 954 954 ASP N N 954 116.531 116.531 119.644 -3.113 25404 1634 1 6 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.502 0.128 25404 1635 1 6 . 1 1 954 954 ASP C C 954 178.707 178.707 178.303 0.404 25404 1636 1 6 . 1 1 954 954 ASP CA C 954 56.901 56.901 56.659 0.242 25404 1637 1 6 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.748 -0.648 25404 1638 1 6 . 1 1 954 954 ASP H H 954 8.776 8.776 8.591 0.185 25404 1639 1 6 . 1 1 955 955 GLU N N 955 121.514 121.514 120.683 0.831 25404 1640 1 6 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.195 0.355 25404 1641 1 6 . 1 1 955 955 GLU C C 955 177.302 177.302 178.867 -1.565 25404 1642 1 6 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.214 0.105 25404 1643 1 6 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.409 2.431 25404 1644 1 6 . 1 1 955 955 GLU H H 955 7.692 7.692 8.449 -0.757 25404 1645 1 6 . 1 1 956 956 TYR N N 956 120.780 120.780 121.096 -0.316 25404 1646 1 6 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.240 0.050 25404 1647 1 6 . 1 1 956 956 TYR C C 956 177.098 177.098 177.554 -0.456 25404 1648 1 6 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.947 1.003 25404 1649 1 6 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.651 -0.239 25404 1650 1 6 . 1 1 956 956 TYR H H 956 8.425 8.425 8.829 -0.404 25404 1651 1 6 . 1 1 957 957 ASP N N 957 118.102 118.102 118.461 -0.359 25404 1652 1 6 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.376 -0.006 25404 1653 1 6 . 1 1 957 957 ASP C C 957 177.919 177.919 178.505 -0.586 25404 1654 1 6 . 1 1 957 957 ASP CA C 957 57.654 57.654 56.949 0.705 25404 1655 1 6 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.478 0.053 25404 1656 1 6 . 1 1 957 957 ASP H H 957 8.169 8.169 7.967 0.202 25404 1657 1 6 . 1 1 958 958 GLU N N 958 121.150 121.150 120.497 0.653 25404 1658 1 6 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.209 -0.149 25404 1659 1 6 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.222 1.888 25404 1660 1 6 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.686 1.144 25404 1661 1 6 . 1 1 958 958 GLU H H 958 7.782 7.782 7.730 0.052 25404 1662 1 6 . 1 1 959 959 TRP N N 959 120.489 120.489 122.217 -1.728 25404 1663 1 6 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.691 -0.322 25404 1664 1 6 . 1 1 959 959 TRP C C 959 176.651 176.651 177.742 -1.091 25404 1665 1 6 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.163 -2.372 25404 1666 1 6 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.117 -1.347 25404 1667 1 6 . 1 1 959 959 TRP H H 959 8.089 8.089 8.226 -0.137 25404 1668 1 6 . 1 1 960 960 GLN N N 960 113.509 113.509 116.375 -2.866 25404 1669 1 6 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.294 -0.174 25404 1670 1 6 . 1 1 960 960 GLN C C 960 179.089 179.089 178.523 0.566 25404 1671 1 6 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.588 -0.257 25404 1672 1 6 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.624 0.846 25404 1673 1 6 . 1 1 960 960 GLN H H 960 7.946 7.946 7.790 0.156 25404 1674 1 6 . 1 1 961 961 ASP N N 961 120.534 120.534 120.833 -0.299 25404 1675 1 6 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.334 0.186 25404 1676 1 6 . 1 1 961 961 ASP C C 961 177.660 177.660 178.609 -0.949 25404 1677 1 6 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.187 0.272 25404 1678 1 6 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.468 -0.098 25404 1679 1 6 . 1 1 961 961 ASP H H 961 8.253 8.253 8.237 0.016 25404 1680 1 6 . 1 1 962 962 ILE N N 962 124.280 124.280 121.164 3.116 25404 1681 1 6 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.993 0.077 25404 1682 1 6 . 1 1 962 962 ILE C C 962 177.301 177.301 177.157 0.144 25404 1683 1 6 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.773 2.327 25404 1684 1 6 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.638 -0.868 25404 1685 1 6 . 1 1 962 962 ILE H H 962 8.600 8.600 7.558 1.042 25404 1686 1 6 . 1 1 963 963 ILE N N 963 121.368 121.368 119.840 1.528 25404 1687 1 6 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.519 0.341 25404 1688 1 6 . 1 1 963 963 ILE C C 963 179.751 179.751 177.430 2.321 25404 1689 1 6 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.388 -0.279 25404 1690 1 6 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.218 1.272 25404 1691 1 6 . 1 1 963 963 ILE H H 963 7.377 7.377 7.270 0.107 25404 1692 1 6 . 1 1 964 964 ARG N N 964 119.627 119.627 119.761 -0.134 25404 1693 1 6 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.760 0.310 25404 1694 1 6 . 1 1 964 964 ARG C C 964 179.065 179.065 178.146 0.919 25404 1695 1 6 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.764 -0.610 25404 1696 1 6 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.864 0.935 25404 1697 1 6 . 1 1 964 964 ARG H H 964 7.209 7.209 7.618 -0.409 25404 1698 1 6 . 1 1 965 965 ASP N N 965 119.847 119.847 119.079 0.768 25404 1699 1 6 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.221 0.399 25404 1700 1 6 . 1 1 965 965 ASP C C 965 178.787 178.787 177.832 0.955 25404 1701 1 6 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.746 0.671 25404 1702 1 6 . 1 1 965 965 ASP CB C 965 40.615 40.615 39.950 0.665 25404 1703 1 6 . 1 1 965 965 ASP H H 965 9.098 9.098 7.572 1.526 25404 1704 1 6 . 1 1 966 966 TRP N N 966 118.678 118.678 116.448 2.230 25404 1705 1 6 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.512 0.228 25404 1706 1 6 . 1 1 966 966 TRP C C 966 176.094 176.094 175.583 0.511 25404 1707 1 6 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.282 0.561 25404 1708 1 6 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.859 -1.259 25404 1709 1 6 . 1 1 966 966 TRP H H 966 9.253 9.253 7.279 1.974 25404 1710 1 6 . 1 1 967 967 ARG N N 967 116.998 116.998 118.203 -1.205 25404 1711 1 6 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.966 0.064 25404 1712 1 6 . 1 1 967 967 ARG C C 967 174.965 174.965 175.179 -0.214 25404 1713 1 6 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.296 -0.290 25404 1714 1 6 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.732 -0.766 25404 1715 1 6 . 1 1 967 967 ARG H H 967 7.762 7.762 7.676 0.086 25404 1716 1 6 . 1 1 968 968 LYS N N 968 117.708 117.708 116.761 0.947 25404 1717 1 6 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.538 0.102 25404 1718 1 6 . 1 1 968 968 LYS C C 968 174.258 174.258 174.214 0.044 25404 1719 1 6 . 1 1 968 968 LYS CA C 968 55.239 55.239 55.293 -0.054 25404 1720 1 6 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.000 2.114 25404 1721 1 6 . 1 1 968 968 LYS H H 968 7.462 7.462 7.818 -0.356 25404 1722 1 6 . 1 1 969 969 GLU N N 969 123.352 123.352 119.839 3.513 25404 1723 1 6 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.491 -0.324 25404 1724 1 6 . 1 1 969 969 GLU C C 969 175.962 175.962 174.925 1.037 25404 1725 1 6 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.858 1.288 25404 1726 1 6 . 1 1 969 969 GLU CB C 969 29.500 29.500 32.086 -2.586 25404 1727 1 6 . 1 1 969 969 GLU H H 969 8.559 8.559 8.302 0.257 25404 1728 1 6 . 1 1 970 970 MET N N 970 121.247 121.247 119.995 1.252 25404 1729 1 6 . 1 1 970 970 MET HA H 970 4.920 4.920 5.130 -0.210 25404 1730 1 6 . 1 1 970 970 MET C C 970 176.884 176.884 174.366 2.518 25404 1731 1 6 . 1 1 970 970 MET CA C 970 55.546 55.546 54.805 0.741 25404 1732 1 6 . 1 1 970 970 MET CB C 970 36.772 36.772 36.111 0.661 25404 1733 1 6 . 1 1 970 970 MET H H 970 7.314 7.314 8.388 -1.074 25404 1734 1 6 . 1 1 971 971 THR N N 971 118.284 118.284 110.375 7.909 25404 1735 1 6 . 1 1 971 971 THR HA H 971 4.740 4.740 4.898 -0.158 25404 1736 1 6 . 1 1 971 971 THR C C 971 175.112 175.112 174.792 0.320 25404 1737 1 6 . 1 1 971 971 THR CA C 971 61.582 61.582 60.540 1.042 25404 1738 1 6 . 1 1 971 971 THR CB C 971 71.203 71.203 71.189 0.014 25404 1739 1 6 . 1 1 971 971 THR H H 971 9.129 9.129 8.071 1.058 25404 1740 1 6 . 1 1 972 972 VAL N N 972 121.240 121.240 122.289 -1.049 25404 1741 1 6 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.160 -0.430 25404 1742 1 6 . 1 1 972 972 VAL C C 972 177.014 177.014 177.738 -0.724 25404 1743 1 6 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.549 1.560 25404 1744 1 6 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.355 -0.055 25404 1745 1 6 . 1 1 972 972 VAL H H 972 8.745 8.745 8.337 0.408 25404 1746 1 6 . 1 1 973 973 GLN N N 973 117.672 117.672 118.309 -0.637 25404 1747 1 6 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.881 -0.051 25404 1748 1 6 . 1 1 973 973 GLN C C 973 178.206 178.206 178.232 -0.026 25404 1749 1 6 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.464 0.016 25404 1750 1 6 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.233 0.687 25404 1751 1 6 . 1 1 973 973 GLN H H 973 8.179 8.179 8.527 -0.348 25404 1752 1 6 . 1 1 974 974 GLN N N 974 118.023 118.023 118.695 -0.672 25404 1753 1 6 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.009 0.081 25404 1754 1 6 . 1 1 974 974 GLN C C 974 179.457 179.457 178.491 0.966 25404 1755 1 6 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.683 0.440 25404 1756 1 6 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.162 0.988 25404 1757 1 6 . 1 1 974 974 GLN H H 974 7.797 7.797 7.660 0.137 25404 1758 1 6 . 1 1 975 975 PHE N N 975 121.801 121.801 121.278 0.523 25404 1759 1 6 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.196 0.154 25404 1760 1 6 . 1 1 975 975 PHE C C 975 175.313 175.313 177.128 -1.815 25404 1761 1 6 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.949 0.024 25404 1762 1 6 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.002 0.713 25404 1763 1 6 . 1 1 975 975 PHE H H 975 8.290 8.290 7.736 0.554 25404 1764 1 6 . 1 1 976 976 LEU N N 976 119.703 119.703 119.833 -0.130 25404 1765 1 6 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.545 -0.021 25404 1766 1 6 . 1 1 976 976 LEU C C 976 180.091 180.091 178.607 1.484 25404 1767 1 6 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.485 -0.471 25404 1768 1 6 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.154 0.273 25404 1769 1 6 . 1 1 976 976 LEU H H 976 8.538 8.538 8.431 0.107 25404 1770 1 6 . 1 1 977 977 ASP N N 977 119.392 119.392 119.526 -0.134 25404 1771 1 6 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.337 -0.027 25404 1772 1 6 . 1 1 977 977 ASP C C 977 178.035 178.035 178.552 -0.517 25404 1773 1 6 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.084 0.360 25404 1774 1 6 . 1 1 977 977 ASP CB C 977 41.102 41.102 41.081 0.021 25404 1775 1 6 . 1 1 977 977 ASP H H 977 8.274 8.274 8.116 0.158 25404 1776 1 6 . 1 1 978 978 LEU N N 978 122.575 122.575 121.077 1.498 25404 1777 1 6 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.916 0.034 25404 1778 1 6 . 1 1 978 978 LEU C C 978 176.975 176.975 178.015 -1.040 25404 1779 1 6 . 1 1 978 978 LEU CA C 978 58.390 58.390 58.122 0.268 25404 1780 1 6 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.840 0.260 25404 1781 1 6 . 1 1 978 978 LEU H H 978 7.648 7.648 7.938 -0.290 25404 1782 1 6 . 1 1 979 979 LYS N N 979 118.441 118.441 118.079 0.362 25404 1783 1 6 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.717 -0.537 25404 1784 1 6 . 1 1 979 979 LYS C C 979 177.972 177.972 178.272 -0.300 25404 1785 1 6 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.465 0.695 25404 1786 1 6 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.359 1.241 25404 1787 1 6 . 1 1 979 979 LYS H H 979 7.958 7.958 8.087 -0.129 25404 1788 1 6 . 1 1 980 980 GLU N N 980 117.008 117.008 120.749 -3.741 25404 1789 1 6 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.876 0.084 25404 1790 1 6 . 1 1 980 980 GLU C C 980 180.050 180.050 179.112 0.938 25404 1791 1 6 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.672 -0.014 25404 1792 1 6 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.486 0.198 25404 1793 1 6 . 1 1 980 980 GLU H H 980 7.994 7.994 8.088 -0.094 25404 1794 1 6 . 1 1 981 981 ARG N N 981 119.530 119.530 118.991 0.539 25404 1795 1 6 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.976 0.204 25404 1796 1 6 . 1 1 981 981 ARG C C 981 179.556 179.556 178.669 0.887 25404 1797 1 6 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.237 -2.307 25404 1798 1 6 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.210 -0.460 25404 1799 1 6 . 1 1 981 981 ARG H H 981 8.159 8.159 8.014 0.145 25404 1800 1 6 . 1 1 982 982 ALA N N 982 126.163 126.163 122.961 3.202 25404 1801 1 6 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.179 0.071 25404 1802 1 6 . 1 1 982 982 ALA C C 982 182.415 182.415 180.298 2.117 25404 1803 1 6 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.999 1.417 25404 1804 1 6 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.751 0.859 25404 1805 1 6 . 1 1 982 982 ALA H H 982 8.947 8.947 8.236 0.711 25404 1806 1 6 . 1 1 983 983 LEU N N 983 119.414 119.414 118.961 0.453 25404 1807 1 6 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.212 0.218 25404 1808 1 6 . 1 1 983 983 LEU C C 983 178.652 178.652 178.868 -0.216 25404 1809 1 6 . 1 1 983 983 LEU CA C 983 57.576 57.576 56.986 0.590 25404 1810 1 6 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.654 -0.284 25404 1811 1 6 . 1 1 983 983 LEU H H 983 8.638 8.638 8.880 -0.242 25404 1812 1 6 . 1 1 984 984 SER N N 984 113.275 113.275 113.721 -0.446 25404 1813 1 6 . 1 1 984 984 SER HA H 984 4.690 4.690 4.447 0.243 25404 1814 1 6 . 1 1 984 984 SER C C 984 174.726 174.726 174.717 0.009 25404 1815 1 6 . 1 1 984 984 SER CA C 984 59.300 59.300 59.054 0.246 25404 1816 1 6 . 1 1 984 984 SER CB C 984 64.400 64.400 63.617 0.783 25404 1817 1 6 . 1 1 984 984 SER H H 984 7.736 7.736 7.873 -0.137 25404 1818 1 6 . 1 1 985 985 GLY N N 985 108.346 108.346 107.859 0.487 25404 1819 1 6 . 1 1 985 985 GLY C C 985 174.740 174.740 174.188 0.552 25404 1820 1 6 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.851 0.912 25404 1821 1 6 . 1 1 985 985 GLY H H 985 7.880 7.880 7.508 0.372 25404 1822 1 6 . 1 1 986 986 ALA N N 986 123.024 123.024 122.622 0.402 25404 1823 1 6 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.303 0.087 25404 1824 1 6 . 1 1 986 986 ALA C C 986 177.887 177.887 177.016 0.871 25404 1825 1 6 . 1 1 986 986 ALA CA C 986 53.814 53.814 52.051 1.763 25404 1826 1 6 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.581 0.819 25404 1827 1 6 . 1 1 986 986 ALA H H 986 7.790 7.790 7.808 -0.018 25404 1828 1 6 . 1 1 987 987 SER N N 987 111.887 111.887 113.856 -1.969 25404 1829 1 6 . 1 1 987 987 SER HA H 987 4.730 4.730 4.495 0.234 25404 1830 1 6 . 1 1 987 987 SER C C 987 174.429 174.429 174.082 0.347 25404 1831 1 6 . 1 1 987 987 SER CA C 987 57.629 57.629 58.228 -0.599 25404 1832 1 6 . 1 1 987 987 SER CB C 987 64.309 64.309 63.989 0.320 25404 1833 1 6 . 1 1 987 987 SER H H 987 8.810 8.810 8.554 0.256 25404 1834 1 6 . 1 1 988 988 ASP N N 988 120.053 120.053 124.813 -4.760 25404 1835 1 6 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.660 0.275 25404 1836 1 6 . 1 1 988 988 ASP C C 988 173.389 173.389 176.221 -2.832 25404 1837 1 6 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.666 -0.253 25404 1838 1 6 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.846 -0.686 25404 1839 1 6 . 1 1 988 988 ASP H H 988 7.933 7.933 8.107 -0.174 25404 1840 1 6 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.247 0.073 25404 1841 1 6 . 1 1 989 989 PRO C C 989 179.464 179.464 177.996 1.468 25404 1842 1 6 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.894 0.862 25404 1843 1 6 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.981 0.661 25404 1844 1 6 . 1 1 990 990 ASP N N 990 118.727 118.727 117.469 1.258 25404 1845 1 6 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.540 0.047 25404 1846 1 6 . 1 1 990 990 ASP C C 990 178.185 178.185 178.979 -0.794 25404 1847 1 6 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.176 0.951 25404 1848 1 6 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.763 0.427 25404 1849 1 6 . 1 1 990 990 ASP H H 990 8.418 8.418 8.871 -0.453 25404 1850 1 6 . 1 1 991 991 SER N N 991 121.204 121.204 116.217 4.987 25404 1851 1 6 . 1 1 991 991 SER HA H 991 4.278 4.278 4.383 -0.105 25404 1852 1 6 . 1 1 991 991 SER CA C 991 64.100 64.100 61.758 2.342 25404 1853 1 6 . 1 1 991 991 SER CB C 991 62.832 62.832 63.047 -0.215 25404 1854 1 6 . 1 1 991 991 SER H H 991 8.093 8.093 7.663 0.430 25404 1855 1 6 . 1 1 992 992 GLN N N 992 119.137 119.137 120.191 -1.054 25404 1856 1 6 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.080 0.204 25404 1857 1 6 . 1 1 992 992 GLN C C 992 179.621 179.621 178.485 1.136 25404 1858 1 6 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.841 0.829 25404 1859 1 6 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.258 0.472 25404 1860 1 6 . 1 1 992 992 GLN H H 992 8.131 8.131 8.100 0.031 25404 1861 1 6 . 1 1 993 993 ARG N N 993 122.037 122.037 120.148 1.889 25404 1862 1 6 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.170 0.004 25404 1863 1 6 . 1 1 993 993 ARG C C 993 179.465 179.465 178.712 0.753 25404 1864 1 6 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.177 0.715 25404 1865 1 6 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.035 0.257 25404 1866 1 6 . 1 1 993 993 ARG H H 993 8.345 8.345 8.400 -0.055 25404 1867 1 6 . 1 1 994 994 TYR N N 994 122.855 122.855 121.794 1.061 25404 1868 1 6 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.465 0.135 25404 1869 1 6 . 1 1 994 994 TYR C C 994 176.468 176.468 177.771 -1.303 25404 1870 1 6 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.676 2.002 25404 1871 1 6 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.372 0.928 25404 1872 1 6 . 1 1 994 994 TYR H H 994 9.285 9.285 8.451 0.834 25404 1873 1 6 . 1 1 995 995 ASN N N 995 117.831 117.831 117.872 -0.041 25404 1874 1 6 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.157 0.393 25404 1875 1 6 . 1 1 995 995 ASN C C 995 178.763 178.763 177.829 0.934 25404 1876 1 6 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.139 0.803 25404 1877 1 6 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.919 0.521 25404 1878 1 6 . 1 1 995 995 ASN H H 995 8.678 8.678 8.350 0.328 25404 1879 1 6 . 1 1 996 996 ALA N N 996 122.157 122.157 124.097 -1.940 25404 1880 1 6 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.152 0.218 25404 1881 1 6 . 1 1 996 996 ALA C C 996 179.848 179.848 179.129 0.719 25404 1882 1 6 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.845 0.472 25404 1883 1 6 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.594 0.096 25404 1884 1 6 . 1 1 996 996 ALA H H 996 7.984 7.984 8.424 -0.440 25404 1885 1 6 . 1 1 997 997 TRP N N 997 123.610 123.610 121.496 2.114 25404 1886 1 6 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.219 0.162 25404 1887 1 6 . 1 1 997 997 TRP C C 997 178.383 178.383 177.662 0.721 25404 1888 1 6 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.019 0.163 25404 1889 1 6 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.083 0.217 25404 1890 1 6 . 1 1 997 997 TRP H H 997 8.760 8.760 8.325 0.435 25404 1891 1 6 . 1 1 998 998 LEU N N 998 120.247 120.247 118.497 1.750 25404 1892 1 6 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.261 0.309 25404 1893 1 6 . 1 1 998 998 LEU C C 998 180.003 180.003 178.566 1.437 25404 1894 1 6 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.990 -0.067 25404 1895 1 6 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.294 1.306 25404 1896 1 6 . 1 1 998 998 LEU H H 998 9.030 9.030 7.978 1.052 25404 1897 1 6 . 1 1 999 999 GLU N N 999 118.449 118.449 120.397 -1.948 25404 1898 1 6 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.909 0.157 25404 1899 1 6 . 1 1 999 999 GLU C C 999 178.785 178.785 179.164 -0.379 25404 1900 1 6 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.672 -0.199 25404 1901 1 6 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.621 0.239 25404 1902 1 6 . 1 1 999 999 GLU H H 999 7.574 7.574 7.725 -0.151 25404 1903 1 7 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.146 0.254 25404 1904 1 7 . 1 1 946 946 ALA C C 946 177.730 177.730 178.333 -0.603 25404 1905 1 7 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.394 0.551 25404 1906 1 7 . 1 1 946 946 ALA CB C 946 19.770 19.770 18.556 1.214 25404 1907 1 7 . 1 1 946 946 ALA H H 946 8.480 8.480 8.018 0.462 25404 1908 1 7 . 1 1 947 947 MET N N 947 119.619 119.619 117.864 1.755 25404 1909 1 7 . 1 1 947 947 MET HA H 947 4.520 4.520 4.349 0.171 25404 1910 1 7 . 1 1 947 947 MET C C 947 175.878 175.878 177.311 -1.433 25404 1911 1 7 . 1 1 947 947 MET CA C 947 55.676 55.676 54.681 0.995 25404 1912 1 7 . 1 1 947 947 MET CB C 947 33.450 33.450 30.525 2.925 25404 1913 1 7 . 1 1 947 947 MET H H 947 8.468 8.468 8.486 -0.018 25404 1914 1 7 . 1 1 948 948 ALA N N 948 125.737 125.737 123.143 2.594 25404 1915 1 7 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.214 -0.047 25404 1916 1 7 . 1 1 948 948 ALA C C 948 177.203 177.203 178.101 -0.898 25404 1917 1 7 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.031 -0.221 25404 1918 1 7 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.552 0.970 25404 1919 1 7 . 1 1 948 948 ALA H H 948 8.432 8.432 7.939 0.493 25404 1920 1 7 . 1 1 949 949 ILE N N 949 119.982 119.982 115.861 4.121 25404 1921 1 7 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.062 0.138 25404 1922 1 7 . 1 1 949 949 ILE C C 949 175.237 175.237 175.193 0.044 25404 1923 1 7 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.710 -0.310 25404 1924 1 7 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.288 1.171 25404 1925 1 7 . 1 1 949 949 ILE H H 949 8.049 8.049 7.240 0.809 25404 1926 1 7 . 1 1 950 950 ALA N N 950 127.463 127.463 128.144 -0.681 25404 1927 1 7 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.417 0.093 25404 1928 1 7 . 1 1 950 950 ALA C C 950 176.693 176.693 176.725 -0.032 25404 1929 1 7 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.707 0.384 25404 1930 1 7 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.218 0.842 25404 1931 1 7 . 1 1 950 950 ALA H H 950 8.286 8.286 8.282 0.004 25404 1932 1 7 . 1 1 951 951 LEU N N 951 120.899 120.899 121.421 -0.522 25404 1933 1 7 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.404 0.196 25404 1934 1 7 . 1 1 951 951 LEU C C 951 177.680 177.680 176.559 1.121 25404 1935 1 7 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.902 -0.301 25404 1936 1 7 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.948 1.252 25404 1937 1 7 . 1 1 951 951 LEU H H 951 8.098 8.098 7.863 0.235 25404 1938 1 7 . 1 1 952 952 ARG N N 952 122.793 122.793 120.983 1.810 25404 1939 1 7 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.497 0.060 25404 1940 1 7 . 1 1 952 952 ARG C C 952 177.543 177.543 176.943 0.600 25404 1941 1 7 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.437 0.839 25404 1942 1 7 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.533 1.297 25404 1943 1 7 . 1 1 952 952 ARG H H 952 9.312 9.312 8.209 1.103 25404 1944 1 7 . 1 1 953 953 ASP N N 953 122.129 122.129 121.021 1.108 25404 1945 1 7 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.376 0.114 25404 1946 1 7 . 1 1 953 953 ASP C C 953 177.472 177.472 177.659 -0.187 25404 1947 1 7 . 1 1 953 953 ASP CA C 953 58.086 58.086 57.527 0.559 25404 1948 1 7 . 1 1 953 953 ASP CB C 953 40.480 40.480 39.926 0.554 25404 1949 1 7 . 1 1 953 953 ASP H H 953 8.959 8.959 8.794 0.165 25404 1950 1 7 . 1 1 954 954 ASP N N 954 116.531 116.531 118.081 -1.550 25404 1951 1 7 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.470 0.160 25404 1952 1 7 . 1 1 954 954 ASP C C 954 178.707 178.707 178.241 0.466 25404 1953 1 7 . 1 1 954 954 ASP CA C 954 56.901 56.901 56.918 -0.017 25404 1954 1 7 . 1 1 954 954 ASP CB C 954 40.100 40.100 39.988 0.112 25404 1955 1 7 . 1 1 954 954 ASP H H 954 8.776 8.776 8.624 0.152 25404 1956 1 7 . 1 1 955 955 GLU N N 955 121.514 121.514 121.513 0.001 25404 1957 1 7 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.192 0.358 25404 1958 1 7 . 1 1 955 955 GLU C C 955 177.302 177.302 178.726 -1.424 25404 1959 1 7 . 1 1 955 955 GLU CA C 955 59.319 59.319 58.974 0.345 25404 1960 1 7 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.249 2.591 25404 1961 1 7 . 1 1 955 955 GLU H H 955 7.692 7.692 8.350 -0.658 25404 1962 1 7 . 1 1 956 956 TYR N N 956 120.780 120.780 121.283 -0.503 25404 1963 1 7 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.251 0.039 25404 1964 1 7 . 1 1 956 956 TYR C C 956 177.098 177.098 177.630 -0.532 25404 1965 1 7 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.016 0.934 25404 1966 1 7 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.696 -0.284 25404 1967 1 7 . 1 1 956 956 TYR H H 956 8.425 8.425 8.914 -0.489 25404 1968 1 7 . 1 1 957 957 ASP N N 957 118.102 118.102 118.935 -0.833 25404 1969 1 7 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.355 0.015 25404 1970 1 7 . 1 1 957 957 ASP C C 957 177.919 177.919 178.294 -0.375 25404 1971 1 7 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.094 0.560 25404 1972 1 7 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.659 -0.128 25404 1973 1 7 . 1 1 957 957 ASP H H 957 8.169 8.169 8.031 0.138 25404 1974 1 7 . 1 1 958 958 GLU N N 958 121.150 121.150 121.149 0.001 25404 1975 1 7 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.174 -0.114 25404 1976 1 7 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.220 1.890 25404 1977 1 7 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.789 1.041 25404 1978 1 7 . 1 1 958 958 GLU H H 958 7.782 7.782 7.885 -0.103 25404 1979 1 7 . 1 1 959 959 TRP N N 959 120.489 120.489 122.003 -1.514 25404 1980 1 7 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.831 -0.462 25404 1981 1 7 . 1 1 959 959 TRP C C 959 176.651 176.651 178.108 -1.457 25404 1982 1 7 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.129 -2.337 25404 1983 1 7 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.132 -1.362 25404 1984 1 7 . 1 1 959 959 TRP H H 959 8.089 8.089 8.317 -0.228 25404 1985 1 7 . 1 1 960 960 GLN N N 960 113.509 113.509 116.930 -3.421 25404 1986 1 7 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.271 -0.151 25404 1987 1 7 . 1 1 960 960 GLN C C 960 179.089 179.089 178.540 0.549 25404 1988 1 7 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.630 -0.299 25404 1989 1 7 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.582 0.888 25404 1990 1 7 . 1 1 960 960 GLN H H 960 7.946 7.946 8.015 -0.069 25404 1991 1 7 . 1 1 961 961 ASP N N 961 120.534 120.534 120.818 -0.284 25404 1992 1 7 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.359 0.161 25404 1993 1 7 . 1 1 961 961 ASP C C 961 177.660 177.660 178.732 -1.072 25404 1994 1 7 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.190 0.269 25404 1995 1 7 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.495 -0.124 25404 1996 1 7 . 1 1 961 961 ASP H H 961 8.253 8.253 8.186 0.067 25404 1997 1 7 . 1 1 962 962 ILE N N 962 124.280 124.280 120.629 3.651 25404 1998 1 7 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.872 0.198 25404 1999 1 7 . 1 1 962 962 ILE C C 962 177.301 177.301 176.991 0.310 25404 2000 1 7 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.103 1.997 25404 2001 1 7 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.786 -1.016 25404 2002 1 7 . 1 1 962 962 ILE H H 962 8.600 8.600 7.660 0.940 25404 2003 1 7 . 1 1 963 963 ILE N N 963 121.368 121.368 120.096 1.272 25404 2004 1 7 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.569 0.291 25404 2005 1 7 . 1 1 963 963 ILE C C 963 179.751 179.751 177.460 2.291 25404 2006 1 7 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.352 -0.243 25404 2007 1 7 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.374 1.116 25404 2008 1 7 . 1 1 963 963 ILE H H 963 7.377 7.377 7.476 -0.099 25404 2009 1 7 . 1 1 964 964 ARG N N 964 119.627 119.627 118.751 0.876 25404 2010 1 7 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.900 0.170 25404 2011 1 7 . 1 1 964 964 ARG C C 964 179.065 179.065 178.798 0.267 25404 2012 1 7 . 1 1 964 964 ARG CA C 964 59.154 59.154 58.736 0.418 25404 2013 1 7 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.587 1.212 25404 2014 1 7 . 1 1 964 964 ARG H H 964 7.209 7.209 7.682 -0.473 25404 2015 1 7 . 1 1 965 965 ASP N N 965 119.847 119.847 120.929 -1.082 25404 2016 1 7 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.191 0.429 25404 2017 1 7 . 1 1 965 965 ASP C C 965 178.787 178.787 176.842 1.945 25404 2018 1 7 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.399 1.018 25404 2019 1 7 . 1 1 965 965 ASP CB C 965 40.615 40.615 39.862 0.753 25404 2020 1 7 . 1 1 965 965 ASP H H 965 9.098 9.098 7.619 1.479 25404 2021 1 7 . 1 1 966 966 TRP N N 966 118.678 118.678 116.039 2.639 25404 2022 1 7 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.497 0.243 25404 2023 1 7 . 1 1 966 966 TRP C C 966 176.094 176.094 176.024 0.070 25404 2024 1 7 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.814 0.029 25404 2025 1 7 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.605 -1.005 25404 2026 1 7 . 1 1 966 966 TRP H H 966 9.253 9.253 7.040 2.213 25404 2027 1 7 . 1 1 967 967 ARG N N 967 116.998 116.998 115.166 1.832 25404 2028 1 7 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.952 0.078 25404 2029 1 7 . 1 1 967 967 ARG C C 967 174.965 174.965 175.693 -0.728 25404 2030 1 7 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.537 -0.531 25404 2031 1 7 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.457 -0.491 25404 2032 1 7 . 1 1 967 967 ARG H H 967 7.762 7.762 7.854 -0.092 25404 2033 1 7 . 1 1 968 968 LYS N N 968 117.708 117.708 117.966 -0.258 25404 2034 1 7 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.466 0.174 25404 2035 1 7 . 1 1 968 968 LYS C C 968 174.258 174.258 174.528 -0.270 25404 2036 1 7 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.989 0.251 25404 2037 1 7 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.479 1.635 25404 2038 1 7 . 1 1 968 968 LYS H H 968 7.462 7.462 7.518 -0.056 25404 2039 1 7 . 1 1 969 969 GLU N N 969 123.352 123.352 119.103 4.249 25404 2040 1 7 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.453 -0.286 25404 2041 1 7 . 1 1 969 969 GLU C C 969 175.962 175.962 174.961 1.001 25404 2042 1 7 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.722 1.424 25404 2043 1 7 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.797 -1.297 25404 2044 1 7 . 1 1 969 969 GLU H H 969 8.559 8.559 8.273 0.286 25404 2045 1 7 . 1 1 970 970 MET N N 970 121.247 121.247 119.263 1.984 25404 2046 1 7 . 1 1 970 970 MET HA H 970 4.920 4.920 4.915 0.005 25404 2047 1 7 . 1 1 970 970 MET C C 970 176.884 176.884 175.478 1.406 25404 2048 1 7 . 1 1 970 970 MET CA C 970 55.546 55.546 53.725 1.821 25404 2049 1 7 . 1 1 970 970 MET CB C 970 36.772 36.772 35.802 0.970 25404 2050 1 7 . 1 1 970 970 MET H H 970 7.314 7.314 7.983 -0.669 25404 2051 1 7 . 1 1 971 971 THR N N 971 118.284 118.284 112.630 5.654 25404 2052 1 7 . 1 1 971 971 THR HA H 971 4.740 4.740 4.613 0.127 25404 2053 1 7 . 1 1 971 971 THR C C 971 175.112 175.112 175.485 -0.373 25404 2054 1 7 . 1 1 971 971 THR CA C 971 61.582 61.582 61.907 -0.325 25404 2055 1 7 . 1 1 971 971 THR CB C 971 71.203 71.203 69.699 1.504 25404 2056 1 7 . 1 1 971 971 THR H H 971 9.129 9.129 8.343 0.786 25404 2057 1 7 . 1 1 972 972 VAL N N 972 121.240 121.240 121.661 -0.421 25404 2058 1 7 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.097 -0.367 25404 2059 1 7 . 1 1 972 972 VAL C C 972 177.014 177.014 177.765 -0.751 25404 2060 1 7 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.646 1.464 25404 2061 1 7 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.074 0.226 25404 2062 1 7 . 1 1 972 972 VAL H H 972 8.745 8.745 8.206 0.539 25404 2063 1 7 . 1 1 973 973 GLN N N 973 117.672 117.672 118.398 -0.726 25404 2064 1 7 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.881 -0.051 25404 2065 1 7 . 1 1 973 973 GLN C C 973 178.206 178.206 178.248 -0.042 25404 2066 1 7 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.366 0.114 25404 2067 1 7 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.217 0.703 25404 2068 1 7 . 1 1 973 973 GLN H H 973 8.179 8.179 8.515 -0.336 25404 2069 1 7 . 1 1 974 974 GLN N N 974 118.023 118.023 118.693 -0.670 25404 2070 1 7 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.000 0.090 25404 2071 1 7 . 1 1 974 974 GLN C C 974 179.457 179.457 178.428 1.029 25404 2072 1 7 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.610 0.513 25404 2073 1 7 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.129 1.021 25404 2074 1 7 . 1 1 974 974 GLN H H 974 7.797 7.797 7.565 0.232 25404 2075 1 7 . 1 1 975 975 PHE N N 975 121.801 121.801 121.737 0.064 25404 2076 1 7 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.169 0.181 25404 2077 1 7 . 1 1 975 975 PHE C C 975 175.313 175.313 177.027 -1.714 25404 2078 1 7 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.032 -0.059 25404 2079 1 7 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.986 0.729 25404 2080 1 7 . 1 1 975 975 PHE H H 975 8.290 8.290 7.694 0.596 25404 2081 1 7 . 1 1 976 976 LEU N N 976 119.703 119.703 119.025 0.678 25404 2082 1 7 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.508 0.016 25404 2083 1 7 . 1 1 976 976 LEU C C 976 180.091 180.091 178.720 1.371 25404 2084 1 7 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.749 0.265 25404 2085 1 7 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.068 0.359 25404 2086 1 7 . 1 1 976 976 LEU H H 976 8.538 8.538 8.361 0.177 25404 2087 1 7 . 1 1 977 977 ASP N N 977 119.392 119.392 119.639 -0.247 25404 2088 1 7 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.360 -0.050 25404 2089 1 7 . 1 1 977 977 ASP C C 977 178.035 178.035 178.443 -0.408 25404 2090 1 7 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.730 0.714 25404 2091 1 7 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.950 0.152 25404 2092 1 7 . 1 1 977 977 ASP H H 977 8.274 8.274 8.066 0.208 25404 2093 1 7 . 1 1 978 978 LEU N N 978 122.575 122.575 121.030 1.545 25404 2094 1 7 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.938 0.012 25404 2095 1 7 . 1 1 978 978 LEU C C 978 176.975 176.975 177.595 -0.620 25404 2096 1 7 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.731 0.659 25404 2097 1 7 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.587 0.513 25404 2098 1 7 . 1 1 978 978 LEU H H 978 7.648 7.648 7.880 -0.232 25404 2099 1 7 . 1 1 979 979 LYS N N 979 118.441 118.441 118.509 -0.068 25404 2100 1 7 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.678 -0.498 25404 2101 1 7 . 1 1 979 979 LYS C C 979 177.972 177.972 178.230 -0.258 25404 2102 1 7 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.571 0.589 25404 2103 1 7 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.403 1.197 25404 2104 1 7 . 1 1 979 979 LYS H H 979 7.958 7.958 8.022 -0.064 25404 2105 1 7 . 1 1 980 980 GLU N N 980 117.008 117.008 120.391 -3.383 25404 2106 1 7 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.946 0.014 25404 2107 1 7 . 1 1 980 980 GLU C C 980 180.050 180.050 179.309 0.741 25404 2108 1 7 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.465 0.193 25404 2109 1 7 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.425 0.259 25404 2110 1 7 . 1 1 980 980 GLU H H 980 7.994 7.994 7.959 0.035 25404 2111 1 7 . 1 1 981 981 ARG N N 981 119.530 119.530 119.237 0.293 25404 2112 1 7 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.035 0.145 25404 2113 1 7 . 1 1 981 981 ARG C C 981 179.556 179.556 178.719 0.837 25404 2114 1 7 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.237 -2.308 25404 2115 1 7 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.263 -0.513 25404 2116 1 7 . 1 1 981 981 ARG H H 981 8.159 8.159 7.974 0.185 25404 2117 1 7 . 1 1 982 982 ALA N N 982 126.163 126.163 122.860 3.303 25404 2118 1 7 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.220 0.030 25404 2119 1 7 . 1 1 982 982 ALA C C 982 182.415 182.415 180.466 1.949 25404 2120 1 7 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.831 1.586 25404 2121 1 7 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.662 0.948 25404 2122 1 7 . 1 1 982 982 ALA H H 982 8.947 8.947 8.253 0.694 25404 2123 1 7 . 1 1 983 983 LEU N N 983 119.414 119.414 119.576 -0.162 25404 2124 1 7 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.169 0.261 25404 2125 1 7 . 1 1 983 983 LEU C C 983 178.652 178.652 178.806 -0.154 25404 2126 1 7 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.314 0.262 25404 2127 1 7 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.819 -0.449 25404 2128 1 7 . 1 1 983 983 LEU H H 983 8.638 8.638 8.632 0.006 25404 2129 1 7 . 1 1 984 984 SER N N 984 113.275 113.275 113.143 0.132 25404 2130 1 7 . 1 1 984 984 SER HA H 984 4.690 4.690 4.394 0.296 25404 2131 1 7 . 1 1 984 984 SER C C 984 174.726 174.726 175.499 -0.773 25404 2132 1 7 . 1 1 984 984 SER CA C 984 59.300 59.300 58.805 0.495 25404 2133 1 7 . 1 1 984 984 SER CB C 984 64.400 64.400 63.849 0.551 25404 2134 1 7 . 1 1 984 984 SER H H 984 7.736 7.736 7.922 -0.186 25404 2135 1 7 . 1 1 985 985 GLY N N 985 108.346 108.346 109.671 -1.325 25404 2136 1 7 . 1 1 985 985 GLY C C 985 174.740 174.740 174.064 0.676 25404 2137 1 7 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.735 1.028 25404 2138 1 7 . 1 1 985 985 GLY H H 985 7.880 7.880 7.696 0.184 25404 2139 1 7 . 1 1 986 986 ALA N N 986 123.024 123.024 121.879 1.145 25404 2140 1 7 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.272 0.118 25404 2141 1 7 . 1 1 986 986 ALA C C 986 177.887 177.887 176.927 0.960 25404 2142 1 7 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.921 1.893 25404 2143 1 7 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.998 0.401 25404 2144 1 7 . 1 1 986 986 ALA H H 986 7.790 7.790 8.008 -0.218 25404 2145 1 7 . 1 1 987 987 SER N N 987 111.887 111.887 116.451 -4.564 25404 2146 1 7 . 1 1 987 987 SER HA H 987 4.730 4.730 4.372 0.358 25404 2147 1 7 . 1 1 987 987 SER C C 987 174.429 174.429 173.990 0.439 25404 2148 1 7 . 1 1 987 987 SER CA C 987 57.629 57.629 58.739 -1.110 25404 2149 1 7 . 1 1 987 987 SER CB C 987 64.309 64.309 63.674 0.635 25404 2150 1 7 . 1 1 987 987 SER H H 987 8.810 8.810 8.456 0.354 25404 2151 1 7 . 1 1 988 988 ASP N N 988 120.053 120.053 123.143 -3.090 25404 2152 1 7 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.587 0.348 25404 2153 1 7 . 1 1 988 988 ASP C C 988 173.389 173.389 176.178 -2.789 25404 2154 1 7 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.081 -0.668 25404 2155 1 7 . 1 1 988 988 ASP CB C 988 40.160 40.160 41.080 -0.919 25404 2156 1 7 . 1 1 988 988 ASP H H 988 7.933 7.933 7.742 0.191 25404 2157 1 7 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.250 0.070 25404 2158 1 7 . 1 1 989 989 PRO C C 989 179.464 179.464 178.194 1.270 25404 2159 1 7 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.724 1.032 25404 2160 1 7 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.883 0.759 25404 2161 1 7 . 1 1 990 990 ASP N N 990 118.727 118.727 118.123 0.604 25404 2162 1 7 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.453 0.134 25404 2163 1 7 . 1 1 990 990 ASP C C 990 178.185 178.185 179.004 -0.819 25404 2164 1 7 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.454 0.673 25404 2165 1 7 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.891 0.299 25404 2166 1 7 . 1 1 990 990 ASP H H 990 8.418 8.418 8.670 -0.252 25404 2167 1 7 . 1 1 991 991 SER N N 991 121.204 121.204 115.655 5.549 25404 2168 1 7 . 1 1 991 991 SER HA H 991 4.278 4.278 4.247 0.031 25404 2169 1 7 . 1 1 991 991 SER CA C 991 64.100 64.100 61.897 2.203 25404 2170 1 7 . 1 1 991 991 SER CB C 991 62.832 62.832 63.127 -0.295 25404 2171 1 7 . 1 1 991 991 SER H H 991 8.093 8.093 7.735 0.358 25404 2172 1 7 . 1 1 992 992 GLN N N 992 119.137 119.137 120.543 -1.406 25404 2173 1 7 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.171 0.113 25404 2174 1 7 . 1 1 992 992 GLN C C 992 179.621 179.621 178.599 1.022 25404 2175 1 7 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.627 1.043 25404 2176 1 7 . 1 1 992 992 GLN CB C 992 28.730 28.730 27.910 0.820 25404 2177 1 7 . 1 1 992 992 GLN H H 992 8.131 8.131 7.972 0.159 25404 2178 1 7 . 1 1 993 993 ARG N N 993 122.037 122.037 120.546 1.491 25404 2179 1 7 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.185 -0.011 25404 2180 1 7 . 1 1 993 993 ARG C C 993 179.465 179.465 178.680 0.785 25404 2181 1 7 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.072 0.820 25404 2182 1 7 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.951 0.341 25404 2183 1 7 . 1 1 993 993 ARG H H 993 8.345 8.345 8.336 0.009 25404 2184 1 7 . 1 1 994 994 TYR N N 994 122.855 122.855 121.984 0.871 25404 2185 1 7 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.479 0.121 25404 2186 1 7 . 1 1 994 994 TYR C C 994 176.468 176.468 177.737 -1.269 25404 2187 1 7 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.423 2.255 25404 2188 1 7 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.384 0.916 25404 2189 1 7 . 1 1 994 994 TYR H H 994 9.285 9.285 8.801 0.484 25404 2190 1 7 . 1 1 995 995 ASN N N 995 117.831 117.831 117.765 0.066 25404 2191 1 7 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.202 0.347 25404 2192 1 7 . 1 1 995 995 ASN C C 995 178.763 178.763 177.684 1.079 25404 2193 1 7 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.710 0.232 25404 2194 1 7 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.317 0.123 25404 2195 1 7 . 1 1 995 995 ASN H H 995 8.678 8.678 8.293 0.385 25404 2196 1 7 . 1 1 996 996 ALA N N 996 122.157 122.157 124.311 -2.154 25404 2197 1 7 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.147 0.223 25404 2198 1 7 . 1 1 996 996 ALA C C 996 179.848 179.848 179.167 0.681 25404 2199 1 7 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.952 0.365 25404 2200 1 7 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.593 0.097 25404 2201 1 7 . 1 1 996 996 ALA H H 996 7.984 7.984 8.291 -0.307 25404 2202 1 7 . 1 1 997 997 TRP N N 997 123.610 123.610 121.385 2.225 25404 2203 1 7 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.223 0.158 25404 2204 1 7 . 1 1 997 997 TRP C C 997 178.383 178.383 177.598 0.785 25404 2205 1 7 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.933 0.249 25404 2206 1 7 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.110 0.190 25404 2207 1 7 . 1 1 997 997 TRP H H 997 8.760 8.760 8.555 0.205 25404 2208 1 7 . 1 1 998 998 LEU N N 998 120.247 120.247 118.212 2.035 25404 2209 1 7 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.254 0.316 25404 2210 1 7 . 1 1 998 998 LEU C C 998 180.003 180.003 178.679 1.324 25404 2211 1 7 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.855 0.068 25404 2212 1 7 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.233 1.367 25404 2213 1 7 . 1 1 998 998 LEU H H 998 9.030 9.030 8.115 0.915 25404 2214 1 7 . 1 1 999 999 GLU N N 999 118.449 118.449 120.442 -1.993 25404 2215 1 7 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.921 0.145 25404 2216 1 7 . 1 1 999 999 GLU C C 999 178.785 178.785 179.106 -0.321 25404 2217 1 7 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.608 -0.135 25404 2218 1 7 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.596 0.264 25404 2219 1 7 . 1 1 999 999 GLU H H 999 7.574 7.574 7.776 -0.202 25404 2220 1 8 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.405 -0.005 25404 2221 1 8 . 1 1 946 946 ALA C C 946 177.730 177.730 177.518 0.212 25404 2222 1 8 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.250 0.695 25404 2223 1 8 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.381 0.389 25404 2224 1 8 . 1 1 946 946 ALA H H 946 8.480 8.480 7.986 0.494 25404 2225 1 8 . 1 1 947 947 MET N N 947 119.619 119.619 117.324 2.295 25404 2226 1 8 . 1 1 947 947 MET HA H 947 4.520 4.520 4.128 0.392 25404 2227 1 8 . 1 1 947 947 MET C C 947 175.878 175.878 175.317 0.561 25404 2228 1 8 . 1 1 947 947 MET CA C 947 55.676 55.676 55.822 -0.146 25404 2229 1 8 . 1 1 947 947 MET CB C 947 33.450 33.450 31.733 1.717 25404 2230 1 8 . 1 1 947 947 MET H H 947 8.468 8.468 8.360 0.108 25404 2231 1 8 . 1 1 948 948 ALA N N 948 125.737 125.737 121.375 4.362 25404 2232 1 8 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.477 -0.310 25404 2233 1 8 . 1 1 948 948 ALA C C 948 177.203 177.203 176.541 0.662 25404 2234 1 8 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.184 0.626 25404 2235 1 8 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.975 -0.453 25404 2236 1 8 . 1 1 948 948 ALA H H 948 8.432 8.432 7.846 0.586 25404 2237 1 8 . 1 1 949 949 ILE N N 949 119.982 119.982 120.827 -0.845 25404 2238 1 8 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.255 -0.055 25404 2239 1 8 . 1 1 949 949 ILE C C 949 175.237 175.237 175.827 -0.590 25404 2240 1 8 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.688 0.712 25404 2241 1 8 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.205 2.255 25404 2242 1 8 . 1 1 949 949 ILE H H 949 8.049 8.049 8.210 -0.161 25404 2243 1 8 . 1 1 950 950 ALA N N 950 127.463 127.463 130.905 -3.442 25404 2244 1 8 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.298 0.212 25404 2245 1 8 . 1 1 950 950 ALA C C 950 176.693 176.693 176.745 -0.052 25404 2246 1 8 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.010 0.081 25404 2247 1 8 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.855 1.205 25404 2248 1 8 . 1 1 950 950 ALA H H 950 8.286 8.286 8.387 -0.101 25404 2249 1 8 . 1 1 951 951 LEU N N 951 120.899 120.899 117.357 3.542 25404 2250 1 8 . 1 1 951 951 LEU HA H 951 4.600 4.600 3.996 0.604 25404 2251 1 8 . 1 1 951 951 LEU C C 951 177.680 177.680 175.753 1.927 25404 2252 1 8 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.681 -1.080 25404 2253 1 8 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.613 1.587 25404 2254 1 8 . 1 1 951 951 LEU H H 951 8.098 8.098 7.532 0.566 25404 2255 1 8 . 1 1 952 952 ARG N N 952 122.793 122.793 119.260 3.533 25404 2256 1 8 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.573 -0.016 25404 2257 1 8 . 1 1 952 952 ARG C C 952 177.543 177.543 177.105 0.438 25404 2258 1 8 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.481 0.795 25404 2259 1 8 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.306 1.524 25404 2260 1 8 . 1 1 952 952 ARG H H 952 9.312 9.312 8.309 1.003 25404 2261 1 8 . 1 1 953 953 ASP N N 953 122.129 122.129 121.717 0.412 25404 2262 1 8 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.385 0.105 25404 2263 1 8 . 1 1 953 953 ASP C C 953 177.472 177.472 177.838 -0.366 25404 2264 1 8 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.323 -0.237 25404 2265 1 8 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.361 0.119 25404 2266 1 8 . 1 1 953 953 ASP H H 953 8.959 8.959 8.893 0.066 25404 2267 1 8 . 1 1 954 954 ASP N N 954 116.531 116.531 118.524 -1.993 25404 2268 1 8 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.463 0.167 25404 2269 1 8 . 1 1 954 954 ASP C C 954 178.707 178.707 178.326 0.381 25404 2270 1 8 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.226 -0.325 25404 2271 1 8 . 1 1 954 954 ASP CB C 954 40.100 40.100 39.619 0.481 25404 2272 1 8 . 1 1 954 954 ASP H H 954 8.776 8.776 8.610 0.166 25404 2273 1 8 . 1 1 955 955 GLU N N 955 121.514 121.514 120.063 1.451 25404 2274 1 8 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.202 0.348 25404 2275 1 8 . 1 1 955 955 GLU C C 955 177.302 177.302 178.752 -1.450 25404 2276 1 8 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.477 -0.158 25404 2277 1 8 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.062 2.778 25404 2278 1 8 . 1 1 955 955 GLU H H 955 7.692 7.692 8.652 -0.960 25404 2279 1 8 . 1 1 956 956 TYR N N 956 120.780 120.780 120.926 -0.146 25404 2280 1 8 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.247 0.043 25404 2281 1 8 . 1 1 956 956 TYR C C 956 177.098 177.098 177.583 -0.485 25404 2282 1 8 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.976 0.974 25404 2283 1 8 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.665 -0.253 25404 2284 1 8 . 1 1 956 956 TYR H H 956 8.425 8.425 8.814 -0.389 25404 2285 1 8 . 1 1 957 957 ASP N N 957 118.102 118.102 118.566 -0.464 25404 2286 1 8 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.374 -0.004 25404 2287 1 8 . 1 1 957 957 ASP C C 957 177.919 177.919 178.653 -0.734 25404 2288 1 8 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.782 -0.128 25404 2289 1 8 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.783 -0.253 25404 2290 1 8 . 1 1 957 957 ASP H H 957 8.169 8.169 8.019 0.150 25404 2291 1 8 . 1 1 958 958 GLU N N 958 121.150 121.150 120.750 0.400 25404 2292 1 8 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.220 -0.160 25404 2293 1 8 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.928 1.182 25404 2294 1 8 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.415 1.415 25404 2295 1 8 . 1 1 958 958 GLU H H 958 7.782 7.782 8.112 -0.330 25404 2296 1 8 . 1 1 959 959 TRP N N 959 120.489 120.489 122.143 -1.654 25404 2297 1 8 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.672 -0.303 25404 2298 1 8 . 1 1 959 959 TRP C C 959 176.651 176.651 177.701 -1.050 25404 2299 1 8 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.184 -2.393 25404 2300 1 8 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.070 -1.300 25404 2301 1 8 . 1 1 959 959 TRP H H 959 8.089 8.089 8.407 -0.318 25404 2302 1 8 . 1 1 960 960 GLN N N 960 113.509 113.509 116.349 -2.840 25404 2303 1 8 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.255 -0.135 25404 2304 1 8 . 1 1 960 960 GLN C C 960 179.089 179.089 178.627 0.462 25404 2305 1 8 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.533 -0.202 25404 2306 1 8 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.592 0.878 25404 2307 1 8 . 1 1 960 960 GLN H H 960 7.946 7.946 7.771 0.175 25404 2308 1 8 . 1 1 961 961 ASP N N 961 120.534 120.534 120.885 -0.351 25404 2309 1 8 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.360 0.160 25404 2310 1 8 . 1 1 961 961 ASP C C 961 177.660 177.660 178.735 -1.075 25404 2311 1 8 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.343 0.116 25404 2312 1 8 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.651 -0.281 25404 2313 1 8 . 1 1 961 961 ASP H H 961 8.253 8.253 8.226 0.027 25404 2314 1 8 . 1 1 962 962 ILE N N 962 124.280 124.280 120.778 3.502 25404 2315 1 8 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.881 0.190 25404 2316 1 8 . 1 1 962 962 ILE C C 962 177.301 177.301 176.975 0.326 25404 2317 1 8 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.078 2.022 25404 2318 1 8 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.641 -0.871 25404 2319 1 8 . 1 1 962 962 ILE H H 962 8.600 8.600 7.793 0.807 25404 2320 1 8 . 1 1 963 963 ILE N N 963 121.368 121.368 120.604 0.764 25404 2321 1 8 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.601 0.259 25404 2322 1 8 . 1 1 963 963 ILE C C 963 179.751 179.751 177.706 2.045 25404 2323 1 8 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.228 -0.119 25404 2324 1 8 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.453 1.037 25404 2325 1 8 . 1 1 963 963 ILE H H 963 7.377 7.377 7.442 -0.065 25404 2326 1 8 . 1 1 964 964 ARG N N 964 119.627 119.627 119.054 0.573 25404 2327 1 8 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.800 0.270 25404 2328 1 8 . 1 1 964 964 ARG C C 964 179.065 179.065 178.432 0.633 25404 2329 1 8 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.433 -0.279 25404 2330 1 8 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.918 0.882 25404 2331 1 8 . 1 1 964 964 ARG H H 964 7.209 7.209 7.705 -0.496 25404 2332 1 8 . 1 1 965 965 ASP N N 965 119.847 119.847 119.085 0.762 25404 2333 1 8 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.271 0.349 25404 2334 1 8 . 1 1 965 965 ASP C C 965 178.787 178.787 177.527 1.260 25404 2335 1 8 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.130 1.286 25404 2336 1 8 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.237 0.378 25404 2337 1 8 . 1 1 965 965 ASP H H 965 9.098 9.098 7.403 1.695 25404 2338 1 8 . 1 1 966 966 TRP N N 966 118.678 118.678 117.487 1.191 25404 2339 1 8 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.551 0.189 25404 2340 1 8 . 1 1 966 966 TRP C C 966 176.094 176.094 175.913 0.181 25404 2341 1 8 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.974 -0.131 25404 2342 1 8 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.538 -0.938 25404 2343 1 8 . 1 1 966 966 TRP H H 966 9.253 9.253 7.468 1.785 25404 2344 1 8 . 1 1 967 967 ARG N N 967 116.998 116.998 113.056 3.942 25404 2345 1 8 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.816 0.214 25404 2346 1 8 . 1 1 967 967 ARG C C 967 174.965 174.965 174.724 0.241 25404 2347 1 8 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.703 -0.696 25404 2348 1 8 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.688 -0.722 25404 2349 1 8 . 1 1 967 967 ARG H H 967 7.762 7.762 7.541 0.221 25404 2350 1 8 . 1 1 968 968 LYS N N 968 117.708 117.708 117.688 0.020 25404 2351 1 8 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.582 0.058 25404 2352 1 8 . 1 1 968 968 LYS C C 968 174.258 174.258 174.803 -0.545 25404 2353 1 8 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.490 0.749 25404 2354 1 8 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.172 0.942 25404 2355 1 8 . 1 1 968 968 LYS H H 968 7.462 7.462 7.477 -0.015 25404 2356 1 8 . 1 1 969 969 GLU N N 969 123.352 123.352 121.873 1.479 25404 2357 1 8 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.225 -0.058 25404 2358 1 8 . 1 1 969 969 GLU C C 969 175.962 175.962 175.995 -0.033 25404 2359 1 8 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.847 0.299 25404 2360 1 8 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.056 -0.556 25404 2361 1 8 . 1 1 969 969 GLU H H 969 8.559 8.559 8.571 -0.012 25404 2362 1 8 . 1 1 970 970 MET N N 970 121.247 121.247 121.275 -0.028 25404 2363 1 8 . 1 1 970 970 MET HA H 970 4.920 4.920 4.909 0.011 25404 2364 1 8 . 1 1 970 970 MET C C 970 176.884 176.884 174.994 1.890 25404 2365 1 8 . 1 1 970 970 MET CA C 970 55.546 55.546 53.916 1.629 25404 2366 1 8 . 1 1 970 970 MET CB C 970 36.772 36.772 35.924 0.848 25404 2367 1 8 . 1 1 970 970 MET H H 970 7.314 7.314 8.451 -1.137 25404 2368 1 8 . 1 1 971 971 THR N N 971 118.284 118.284 111.419 6.865 25404 2369 1 8 . 1 1 971 971 THR HA H 971 4.740 4.740 4.922 -0.182 25404 2370 1 8 . 1 1 971 971 THR C C 971 175.112 175.112 174.749 0.363 25404 2371 1 8 . 1 1 971 971 THR CA C 971 61.582 61.582 60.530 1.052 25404 2372 1 8 . 1 1 971 971 THR CB C 971 71.203 71.203 70.934 0.269 25404 2373 1 8 . 1 1 971 971 THR H H 971 9.129 9.129 8.082 1.047 25404 2374 1 8 . 1 1 972 972 VAL N N 972 121.240 121.240 122.014 -0.774 25404 2375 1 8 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.078 -0.348 25404 2376 1 8 . 1 1 972 972 VAL C C 972 177.014 177.014 177.289 -0.275 25404 2377 1 8 . 1 1 972 972 VAL CA C 972 67.110 67.110 64.947 2.163 25404 2378 1 8 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.327 -0.027 25404 2379 1 8 . 1 1 972 972 VAL H H 972 8.745 8.745 8.142 0.603 25404 2380 1 8 . 1 1 973 973 GLN N N 973 117.672 117.672 118.715 -1.043 25404 2381 1 8 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.789 0.041 25404 2382 1 8 . 1 1 973 973 GLN C C 973 178.206 178.206 178.142 0.064 25404 2383 1 8 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.379 0.101 25404 2384 1 8 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.277 0.643 25404 2385 1 8 . 1 1 973 973 GLN H H 973 8.179 8.179 8.498 -0.319 25404 2386 1 8 . 1 1 974 974 GLN N N 974 118.023 118.023 118.412 -0.389 25404 2387 1 8 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.043 0.047 25404 2388 1 8 . 1 1 974 974 GLN C C 974 179.457 179.457 178.234 1.223 25404 2389 1 8 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.908 0.214 25404 2390 1 8 . 1 1 974 974 GLN CB C 974 29.150 29.150 27.901 1.248 25404 2391 1 8 . 1 1 974 974 GLN H H 974 7.797 7.797 7.808 -0.011 25404 2392 1 8 . 1 1 975 975 PHE N N 975 121.801 121.801 120.291 1.510 25404 2393 1 8 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.174 0.176 25404 2394 1 8 . 1 1 975 975 PHE C C 975 175.313 175.313 177.110 -1.797 25404 2395 1 8 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.959 0.014 25404 2396 1 8 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.767 0.948 25404 2397 1 8 . 1 1 975 975 PHE H H 975 8.290 8.290 7.495 0.795 25404 2398 1 8 . 1 1 976 976 LEU N N 976 119.703 119.703 119.488 0.215 25404 2399 1 8 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.607 -0.083 25404 2400 1 8 . 1 1 976 976 LEU C C 976 180.091 180.091 178.698 1.393 25404 2401 1 8 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.298 -0.284 25404 2402 1 8 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.981 0.446 25404 2403 1 8 . 1 1 976 976 LEU H H 976 8.538 8.538 8.472 0.066 25404 2404 1 8 . 1 1 977 977 ASP N N 977 119.392 119.392 119.839 -0.447 25404 2405 1 8 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.333 -0.023 25404 2406 1 8 . 1 1 977 977 ASP C C 977 178.035 178.035 178.716 -0.681 25404 2407 1 8 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.191 0.253 25404 2408 1 8 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.906 0.196 25404 2409 1 8 . 1 1 977 977 ASP H H 977 8.274 8.274 8.076 0.198 25404 2410 1 8 . 1 1 978 978 LEU N N 978 122.575 122.575 121.019 1.556 25404 2411 1 8 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.945 0.005 25404 2412 1 8 . 1 1 978 978 LEU C C 978 176.975 176.975 177.639 -0.664 25404 2413 1 8 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.810 0.580 25404 2414 1 8 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.655 0.445 25404 2415 1 8 . 1 1 978 978 LEU H H 978 7.648 7.648 8.075 -0.427 25404 2416 1 8 . 1 1 979 979 LYS N N 979 118.441 118.441 118.379 0.062 25404 2417 1 8 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.740 -0.560 25404 2418 1 8 . 1 1 979 979 LYS C C 979 177.972 177.972 178.275 -0.303 25404 2419 1 8 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.596 0.564 25404 2420 1 8 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.415 1.185 25404 2421 1 8 . 1 1 979 979 LYS H H 979 7.958 7.958 8.089 -0.131 25404 2422 1 8 . 1 1 980 980 GLU N N 980 117.008 117.008 120.550 -3.542 25404 2423 1 8 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.960 -0.000 25404 2424 1 8 . 1 1 980 980 GLU C C 980 180.050 180.050 179.140 0.910 25404 2425 1 8 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.190 0.468 25404 2426 1 8 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.186 0.498 25404 2427 1 8 . 1 1 980 980 GLU H H 980 7.994 7.994 8.002 -0.008 25404 2428 1 8 . 1 1 981 981 ARG N N 981 119.530 119.530 119.095 0.435 25404 2429 1 8 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.984 0.196 25404 2430 1 8 . 1 1 981 981 ARG C C 981 179.556 179.556 178.787 0.769 25404 2431 1 8 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.130 -2.200 25404 2432 1 8 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.201 -0.451 25404 2433 1 8 . 1 1 981 981 ARG H H 981 8.159 8.159 7.904 0.255 25404 2434 1 8 . 1 1 982 982 ALA N N 982 126.163 126.163 122.874 3.289 25404 2435 1 8 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.161 0.089 25404 2436 1 8 . 1 1 982 982 ALA C C 982 182.415 182.415 180.315 2.100 25404 2437 1 8 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.972 1.445 25404 2438 1 8 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.750 0.860 25404 2439 1 8 . 1 1 982 982 ALA H H 982 8.947 8.947 8.335 0.612 25404 2440 1 8 . 1 1 983 983 LEU N N 983 119.414 119.414 117.568 1.846 25404 2441 1 8 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.180 0.250 25404 2442 1 8 . 1 1 983 983 LEU C C 983 178.652 178.652 178.592 0.060 25404 2443 1 8 . 1 1 983 983 LEU CA C 983 57.576 57.576 56.978 0.598 25404 2444 1 8 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.852 -0.482 25404 2445 1 8 . 1 1 983 983 LEU H H 983 8.638 8.638 8.704 -0.066 25404 2446 1 8 . 1 1 984 984 SER N N 984 113.275 113.275 112.997 0.278 25404 2447 1 8 . 1 1 984 984 SER HA H 984 4.690 4.690 4.402 0.288 25404 2448 1 8 . 1 1 984 984 SER C C 984 174.726 174.726 175.286 -0.560 25404 2449 1 8 . 1 1 984 984 SER CA C 984 59.300 59.300 58.562 0.738 25404 2450 1 8 . 1 1 984 984 SER CB C 984 64.400 64.400 63.417 0.983 25404 2451 1 8 . 1 1 984 984 SER H H 984 7.736 7.736 7.766 -0.030 25404 2452 1 8 . 1 1 985 985 GLY N N 985 108.346 108.346 108.192 0.154 25404 2453 1 8 . 1 1 985 985 GLY C C 985 174.740 174.740 174.080 0.660 25404 2454 1 8 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.739 1.024 25404 2455 1 8 . 1 1 985 985 GLY H H 985 7.880 7.880 7.605 0.275 25404 2456 1 8 . 1 1 986 986 ALA N N 986 123.024 123.024 122.218 0.806 25404 2457 1 8 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.384 0.006 25404 2458 1 8 . 1 1 986 986 ALA C C 986 177.887 177.887 177.134 0.753 25404 2459 1 8 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.653 2.162 25404 2460 1 8 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.965 0.435 25404 2461 1 8 . 1 1 986 986 ALA H H 986 7.790 7.790 7.847 -0.057 25404 2462 1 8 . 1 1 987 987 SER N N 987 111.887 111.887 115.342 -3.455 25404 2463 1 8 . 1 1 987 987 SER HA H 987 4.730 4.730 4.523 0.207 25404 2464 1 8 . 1 1 987 987 SER C C 987 174.429 174.429 173.949 0.480 25404 2465 1 8 . 1 1 987 987 SER CA C 987 57.629 57.629 57.859 -0.230 25404 2466 1 8 . 1 1 987 987 SER CB C 987 64.309 64.309 64.176 0.133 25404 2467 1 8 . 1 1 987 987 SER H H 987 8.810 8.810 8.695 0.115 25404 2468 1 8 . 1 1 988 988 ASP N N 988 120.053 120.053 124.678 -4.625 25404 2469 1 8 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.627 0.308 25404 2470 1 8 . 1 1 988 988 ASP C C 988 173.389 173.389 176.621 -3.232 25404 2471 1 8 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.666 -0.253 25404 2472 1 8 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.191 -0.031 25404 2473 1 8 . 1 1 988 988 ASP H H 988 7.933 7.933 8.145 -0.212 25404 2474 1 8 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.245 0.075 25404 2475 1 8 . 1 1 989 989 PRO C C 989 179.464 179.464 177.855 1.609 25404 2476 1 8 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.809 0.947 25404 2477 1 8 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.966 0.676 25404 2478 1 8 . 1 1 990 990 ASP N N 990 118.727 118.727 117.523 1.204 25404 2479 1 8 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.531 0.056 25404 2480 1 8 . 1 1 990 990 ASP C C 990 178.185 178.185 178.666 -0.481 25404 2481 1 8 . 1 1 990 990 ASP CA C 990 58.127 58.127 56.999 1.128 25404 2482 1 8 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.936 0.254 25404 2483 1 8 . 1 1 990 990 ASP H H 990 8.418 8.418 8.890 -0.472 25404 2484 1 8 . 1 1 991 991 SER N N 991 121.204 121.204 116.514 4.690 25404 2485 1 8 . 1 1 991 991 SER HA H 991 4.278 4.278 4.323 -0.045 25404 2486 1 8 . 1 1 991 991 SER CA C 991 64.100 64.100 61.402 2.698 25404 2487 1 8 . 1 1 991 991 SER CB C 991 62.832 62.832 63.523 -0.691 25404 2488 1 8 . 1 1 991 991 SER H H 991 8.093 8.093 8.008 0.085 25404 2489 1 8 . 1 1 992 992 GLN N N 992 119.137 119.137 120.687 -1.550 25404 2490 1 8 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.145 0.139 25404 2491 1 8 . 1 1 992 992 GLN C C 992 179.621 179.621 178.672 0.949 25404 2492 1 8 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.469 1.201 25404 2493 1 8 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.437 0.293 25404 2494 1 8 . 1 1 992 992 GLN H H 992 8.131 8.131 7.993 0.138 25404 2495 1 8 . 1 1 993 993 ARG N N 993 122.037 122.037 119.891 2.146 25404 2496 1 8 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.204 -0.030 25404 2497 1 8 . 1 1 993 993 ARG C C 993 179.465 179.465 178.695 0.770 25404 2498 1 8 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.937 0.955 25404 2499 1 8 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.982 0.310 25404 2500 1 8 . 1 1 993 993 ARG H H 993 8.345 8.345 8.296 0.049 25404 2501 1 8 . 1 1 994 994 TYR N N 994 122.855 122.855 121.478 1.377 25404 2502 1 8 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.514 0.086 25404 2503 1 8 . 1 1 994 994 TYR C C 994 176.468 176.468 177.611 -1.143 25404 2504 1 8 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.189 2.489 25404 2505 1 8 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.306 0.994 25404 2506 1 8 . 1 1 994 994 TYR H H 994 9.285 9.285 8.260 1.025 25404 2507 1 8 . 1 1 995 995 ASN N N 995 117.831 117.831 118.128 -0.297 25404 2508 1 8 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.072 0.477 25404 2509 1 8 . 1 1 995 995 ASN C C 995 178.763 178.763 177.620 1.143 25404 2510 1 8 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.085 0.857 25404 2511 1 8 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.382 0.058 25404 2512 1 8 . 1 1 995 995 ASN H H 995 8.678 8.678 8.573 0.105 25404 2513 1 8 . 1 1 996 996 ALA N N 996 122.157 122.157 124.420 -2.263 25404 2514 1 8 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.142 0.228 25404 2515 1 8 . 1 1 996 996 ALA C C 996 179.848 179.848 178.861 0.987 25404 2516 1 8 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.911 0.406 25404 2517 1 8 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.568 0.122 25404 2518 1 8 . 1 1 996 996 ALA H H 996 7.984 7.984 8.346 -0.362 25404 2519 1 8 . 1 1 997 997 TRP N N 997 123.610 123.610 121.442 2.168 25404 2520 1 8 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.222 0.159 25404 2521 1 8 . 1 1 997 997 TRP C C 997 178.383 178.383 178.182 0.201 25404 2522 1 8 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.370 -0.188 25404 2523 1 8 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.193 0.107 25404 2524 1 8 . 1 1 997 997 TRP H H 997 8.760 8.760 8.491 0.269 25404 2525 1 8 . 1 1 998 998 LEU N N 998 120.247 120.247 118.121 2.126 25404 2526 1 8 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.419 0.151 25404 2527 1 8 . 1 1 998 998 LEU C C 998 180.003 180.003 178.706 1.297 25404 2528 1 8 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.953 -0.030 25404 2529 1 8 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.287 1.313 25404 2530 1 8 . 1 1 998 998 LEU H H 998 9.030 9.030 7.980 1.050 25404 2531 1 8 . 1 1 999 999 GLU N N 999 118.449 118.449 120.456 -2.007 25404 2532 1 8 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.933 0.133 25404 2533 1 8 . 1 1 999 999 GLU C C 999 178.785 178.785 179.133 -0.348 25404 2534 1 8 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.659 -0.186 25404 2535 1 8 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.649 0.211 25404 2536 1 8 . 1 1 999 999 GLU H H 999 7.574 7.574 7.684 -0.110 25404 2537 1 9 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.599 -0.199 25404 2538 1 9 . 1 1 946 946 ALA C C 946 177.730 177.730 178.383 -0.653 25404 2539 1 9 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.404 1.541 25404 2540 1 9 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.547 0.223 25404 2541 1 9 . 1 1 946 946 ALA H H 946 8.480 8.480 7.754 0.726 25404 2542 1 9 . 1 1 947 947 MET N N 947 119.619 119.619 119.345 0.274 25404 2543 1 9 . 1 1 947 947 MET HA H 947 4.520 4.520 4.171 0.349 25404 2544 1 9 . 1 1 947 947 MET C C 947 175.878 175.878 176.250 -0.372 25404 2545 1 9 . 1 1 947 947 MET CA C 947 55.676 55.676 55.939 -0.263 25404 2546 1 9 . 1 1 947 947 MET CB C 947 33.450 33.450 32.396 1.054 25404 2547 1 9 . 1 1 947 947 MET H H 947 8.468 8.468 8.306 0.162 25404 2548 1 9 . 1 1 948 948 ALA N N 948 125.737 125.737 120.323 5.414 25404 2549 1 9 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.043 0.124 25404 2550 1 9 . 1 1 948 948 ALA C C 948 177.203 177.203 178.563 -1.360 25404 2551 1 9 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.466 -0.656 25404 2552 1 9 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.112 1.410 25404 2553 1 9 . 1 1 948 948 ALA H H 948 8.432 8.432 7.703 0.729 25404 2554 1 9 . 1 1 949 949 ILE N N 949 119.982 119.982 118.231 1.751 25404 2555 1 9 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.939 0.261 25404 2556 1 9 . 1 1 949 949 ILE C C 949 175.237 175.237 176.829 -1.592 25404 2557 1 9 . 1 1 949 949 ILE CA C 949 61.400 61.400 62.836 -1.436 25404 2558 1 9 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.676 1.784 25404 2559 1 9 . 1 1 949 949 ILE H H 949 8.049 8.049 8.585 -0.536 25404 2560 1 9 . 1 1 950 950 ALA N N 950 127.463 127.463 118.980 8.483 25404 2561 1 9 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.041 0.469 25404 2562 1 9 . 1 1 950 950 ALA C C 950 176.693 176.693 177.064 -0.371 25404 2563 1 9 . 1 1 950 950 ALA CA C 950 52.091 52.091 53.479 -1.388 25404 2564 1 9 . 1 1 950 950 ALA CB C 950 20.060 20.060 17.413 2.647 25404 2565 1 9 . 1 1 950 950 ALA H H 950 8.286 8.286 8.282 0.004 25404 2566 1 9 . 1 1 951 951 LEU N N 951 120.899 120.899 120.705 0.194 25404 2567 1 9 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.318 0.282 25404 2568 1 9 . 1 1 951 951 LEU C C 951 177.680 177.680 177.178 0.502 25404 2569 1 9 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.466 0.135 25404 2570 1 9 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.636 1.563 25404 2571 1 9 . 1 1 951 951 LEU H H 951 8.098 8.098 7.644 0.454 25404 2572 1 9 . 1 1 952 952 ARG N N 952 122.793 122.793 121.996 0.797 25404 2573 1 9 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.334 0.223 25404 2574 1 9 . 1 1 952 952 ARG C C 952 177.543 177.543 177.206 0.337 25404 2575 1 9 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.254 0.022 25404 2576 1 9 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.076 1.754 25404 2577 1 9 . 1 1 952 952 ARG H H 952 9.312 9.312 8.297 1.015 25404 2578 1 9 . 1 1 953 953 ASP N N 953 122.129 122.129 121.338 0.791 25404 2579 1 9 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.440 0.050 25404 2580 1 9 . 1 1 953 953 ASP C C 953 177.472 177.472 178.437 -0.965 25404 2581 1 9 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.393 -0.307 25404 2582 1 9 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.468 0.012 25404 2583 1 9 . 1 1 953 953 ASP H H 953 8.959 8.959 8.847 0.112 25404 2584 1 9 . 1 1 954 954 ASP N N 954 116.531 116.531 118.556 -2.025 25404 2585 1 9 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.467 0.163 25404 2586 1 9 . 1 1 954 954 ASP C C 954 178.707 178.707 178.372 0.335 25404 2587 1 9 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.916 -1.014 25404 2588 1 9 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.637 -0.537 25404 2589 1 9 . 1 1 954 954 ASP H H 954 8.776 8.776 8.531 0.245 25404 2590 1 9 . 1 1 955 955 GLU N N 955 121.514 121.514 119.975 1.539 25404 2591 1 9 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.377 0.173 25404 2592 1 9 . 1 1 955 955 GLU C C 955 177.302 177.302 178.837 -1.535 25404 2593 1 9 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.105 0.214 25404 2594 1 9 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.251 2.589 25404 2595 1 9 . 1 1 955 955 GLU H H 955 7.692 7.692 8.554 -0.862 25404 2596 1 9 . 1 1 956 956 TYR N N 956 120.780 120.780 121.614 -0.834 25404 2597 1 9 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.227 0.063 25404 2598 1 9 . 1 1 956 956 TYR C C 956 177.098 177.098 177.501 -0.403 25404 2599 1 9 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.039 0.911 25404 2600 1 9 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.478 -0.067 25404 2601 1 9 . 1 1 956 956 TYR H H 956 8.425 8.425 8.807 -0.382 25404 2602 1 9 . 1 1 957 957 ASP N N 957 118.102 118.102 118.353 -0.251 25404 2603 1 9 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.251 0.119 25404 2604 1 9 . 1 1 957 957 ASP C C 957 177.919 177.919 178.948 -1.029 25404 2605 1 9 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.383 0.271 25404 2606 1 9 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.123 0.408 25404 2607 1 9 . 1 1 957 957 ASP H H 957 8.169 8.169 7.992 0.177 25404 2608 1 9 . 1 1 958 958 GLU N N 958 121.150 121.150 121.244 -0.094 25404 2609 1 9 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.245 -0.185 25404 2610 1 9 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.370 1.740 25404 2611 1 9 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.710 1.120 25404 2612 1 9 . 1 1 958 958 GLU H H 958 7.782 7.782 7.690 0.092 25404 2613 1 9 . 1 1 959 959 TRP N N 959 120.489 120.489 121.962 -1.473 25404 2614 1 9 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.708 -0.339 25404 2615 1 9 . 1 1 959 959 TRP C C 959 176.651 176.651 177.706 -1.055 25404 2616 1 9 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.088 -2.297 25404 2617 1 9 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.136 -1.366 25404 2618 1 9 . 1 1 959 959 TRP H H 959 8.089 8.089 8.302 -0.213 25404 2619 1 9 . 1 1 960 960 GLN N N 960 113.509 113.509 116.953 -3.444 25404 2620 1 9 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.223 -0.103 25404 2621 1 9 . 1 1 960 960 GLN C C 960 179.089 179.089 178.554 0.535 25404 2622 1 9 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.523 -0.192 25404 2623 1 9 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.423 1.047 25404 2624 1 9 . 1 1 960 960 GLN H H 960 7.946 7.946 7.908 0.038 25404 2625 1 9 . 1 1 961 961 ASP N N 961 120.534 120.534 120.526 0.008 25404 2626 1 9 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.318 0.202 25404 2627 1 9 . 1 1 961 961 ASP C C 961 177.660 177.660 178.604 -0.944 25404 2628 1 9 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.227 0.232 25404 2629 1 9 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.538 -0.169 25404 2630 1 9 . 1 1 961 961 ASP H H 961 8.253 8.253 8.284 -0.031 25404 2631 1 9 . 1 1 962 962 ILE N N 962 124.280 124.280 120.985 3.295 25404 2632 1 9 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.993 0.077 25404 2633 1 9 . 1 1 962 962 ILE C C 962 177.301 177.301 176.984 0.317 25404 2634 1 9 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.512 2.588 25404 2635 1 9 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.856 -1.086 25404 2636 1 9 . 1 1 962 962 ILE H H 962 8.600 8.600 7.652 0.948 25404 2637 1 9 . 1 1 963 963 ILE N N 963 121.368 121.368 120.998 0.370 25404 2638 1 9 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.644 0.216 25404 2639 1 9 . 1 1 963 963 ILE C C 963 179.751 179.751 177.822 1.929 25404 2640 1 9 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.371 -0.261 25404 2641 1 9 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.477 1.012 25404 2642 1 9 . 1 1 963 963 ILE H H 963 7.377 7.377 7.489 -0.112 25404 2643 1 9 . 1 1 964 964 ARG N N 964 119.627 119.627 118.981 0.646 25404 2644 1 9 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.853 0.217 25404 2645 1 9 . 1 1 964 964 ARG C C 964 179.065 179.065 178.898 0.167 25404 2646 1 9 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.428 -0.274 25404 2647 1 9 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.747 1.052 25404 2648 1 9 . 1 1 964 964 ARG H H 964 7.209 7.209 7.639 -0.430 25404 2649 1 9 . 1 1 965 965 ASP N N 965 119.847 119.847 120.595 -0.748 25404 2650 1 9 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.206 0.414 25404 2651 1 9 . 1 1 965 965 ASP C C 965 178.787 178.787 177.287 1.500 25404 2652 1 9 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.697 0.720 25404 2653 1 9 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.130 0.485 25404 2654 1 9 . 1 1 965 965 ASP H H 965 9.098 9.098 7.805 1.293 25404 2655 1 9 . 1 1 966 966 TRP N N 966 118.678 118.678 117.825 0.853 25404 2656 1 9 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.558 0.182 25404 2657 1 9 . 1 1 966 966 TRP C C 966 176.094 176.094 176.012 0.082 25404 2658 1 9 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.767 0.076 25404 2659 1 9 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.834 -1.234 25404 2660 1 9 . 1 1 966 966 TRP H H 966 9.253 9.253 7.486 1.767 25404 2661 1 9 . 1 1 967 967 ARG N N 967 116.998 116.998 114.708 2.290 25404 2662 1 9 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.822 0.208 25404 2663 1 9 . 1 1 967 967 ARG C C 967 174.965 174.965 175.123 -0.158 25404 2664 1 9 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.445 -0.439 25404 2665 1 9 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.427 -0.461 25404 2666 1 9 . 1 1 967 967 ARG H H 967 7.762 7.762 7.704 0.058 25404 2667 1 9 . 1 1 968 968 LYS N N 968 117.708 117.708 117.411 0.297 25404 2668 1 9 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.600 0.040 25404 2669 1 9 . 1 1 968 968 LYS C C 968 174.258 174.258 174.569 -0.311 25404 2670 1 9 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.553 0.686 25404 2671 1 9 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.342 0.772 25404 2672 1 9 . 1 1 968 968 LYS H H 968 7.462 7.462 7.616 -0.154 25404 2673 1 9 . 1 1 969 969 GLU N N 969 123.352 123.352 121.402 1.950 25404 2674 1 9 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.325 -0.158 25404 2675 1 9 . 1 1 969 969 GLU C C 969 175.962 175.962 175.594 0.368 25404 2676 1 9 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.650 0.496 25404 2677 1 9 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.044 -0.544 25404 2678 1 9 . 1 1 969 969 GLU H H 969 8.559 8.559 8.557 0.002 25404 2679 1 9 . 1 1 970 970 MET N N 970 121.247 121.247 118.350 2.897 25404 2680 1 9 . 1 1 970 970 MET HA H 970 4.920 4.920 4.864 0.056 25404 2681 1 9 . 1 1 970 970 MET C C 970 176.884 176.884 174.984 1.900 25404 2682 1 9 . 1 1 970 970 MET CA C 970 55.546 55.546 53.516 2.030 25404 2683 1 9 . 1 1 970 970 MET CB C 970 36.772 36.772 36.104 0.668 25404 2684 1 9 . 1 1 970 970 MET H H 970 7.314 7.314 7.912 -0.598 25404 2685 1 9 . 1 1 971 971 THR N N 971 118.284 118.284 112.112 6.172 25404 2686 1 9 . 1 1 971 971 THR HA H 971 4.740 4.740 4.587 0.153 25404 2687 1 9 . 1 1 971 971 THR C C 971 175.112 175.112 175.494 -0.382 25404 2688 1 9 . 1 1 971 971 THR CA C 971 61.582 61.582 61.816 -0.234 25404 2689 1 9 . 1 1 971 971 THR CB C 971 71.203 71.203 69.669 1.534 25404 2690 1 9 . 1 1 971 971 THR H H 971 9.129 9.129 8.315 0.814 25404 2691 1 9 . 1 1 972 972 VAL N N 972 121.240 121.240 122.067 -0.827 25404 2692 1 9 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.103 -0.373 25404 2693 1 9 . 1 1 972 972 VAL C C 972 177.014 177.014 177.769 -0.755 25404 2694 1 9 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.453 1.657 25404 2695 1 9 . 1 1 972 972 VAL CB C 972 31.300 31.300 30.976 0.324 25404 2696 1 9 . 1 1 972 972 VAL H H 972 8.745 8.745 8.314 0.431 25404 2697 1 9 . 1 1 973 973 GLN N N 973 117.672 117.672 118.189 -0.517 25404 2698 1 9 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.879 -0.049 25404 2699 1 9 . 1 1 973 973 GLN C C 973 178.206 178.206 178.506 -0.300 25404 2700 1 9 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.601 -0.121 25404 2701 1 9 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.096 0.824 25404 2702 1 9 . 1 1 973 973 GLN H H 973 8.179 8.179 8.466 -0.287 25404 2703 1 9 . 1 1 974 974 GLN N N 974 118.023 118.023 118.864 -0.841 25404 2704 1 9 . 1 1 974 974 GLN HA H 974 4.090 4.090 3.988 0.102 25404 2705 1 9 . 1 1 974 974 GLN C C 974 179.457 179.457 178.368 1.089 25404 2706 1 9 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.735 0.388 25404 2707 1 9 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.093 1.057 25404 2708 1 9 . 1 1 974 974 GLN H H 974 7.797 7.797 7.723 0.074 25404 2709 1 9 . 1 1 975 975 PHE N N 975 121.801 121.801 121.641 0.160 25404 2710 1 9 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.190 0.160 25404 2711 1 9 . 1 1 975 975 PHE C C 975 175.313 175.313 177.261 -1.948 25404 2712 1 9 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.933 0.040 25404 2713 1 9 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.009 0.706 25404 2714 1 9 . 1 1 975 975 PHE H H 975 8.290 8.290 7.695 0.595 25404 2715 1 9 . 1 1 976 976 LEU N N 976 119.703 119.703 120.421 -0.718 25404 2716 1 9 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.514 0.010 25404 2717 1 9 . 1 1 976 976 LEU C C 976 180.091 180.091 178.097 1.994 25404 2718 1 9 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.941 0.073 25404 2719 1 9 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.567 -0.140 25404 2720 1 9 . 1 1 976 976 LEU H H 976 8.538 8.538 8.662 -0.124 25404 2721 1 9 . 1 1 977 977 ASP N N 977 119.392 119.392 119.317 0.075 25404 2722 1 9 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.297 0.013 25404 2723 1 9 . 1 1 977 977 ASP C C 977 178.035 178.035 178.443 -0.408 25404 2724 1 9 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.041 0.403 25404 2725 1 9 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.821 0.281 25404 2726 1 9 . 1 1 977 977 ASP H H 977 8.274 8.274 8.371 -0.097 25404 2727 1 9 . 1 1 978 978 LEU N N 978 122.575 122.575 120.826 1.749 25404 2728 1 9 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.945 0.005 25404 2729 1 9 . 1 1 978 978 LEU C C 978 176.975 176.975 177.769 -0.794 25404 2730 1 9 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.603 0.786 25404 2731 1 9 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.656 0.444 25404 2732 1 9 . 1 1 978 978 LEU H H 978 7.648 7.648 7.655 -0.007 25404 2733 1 9 . 1 1 979 979 LYS N N 979 118.441 118.441 118.673 -0.232 25404 2734 1 9 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.520 -0.340 25404 2735 1 9 . 1 1 979 979 LYS C C 979 177.972 177.972 178.226 -0.254 25404 2736 1 9 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.501 0.659 25404 2737 1 9 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.389 1.211 25404 2738 1 9 . 1 1 979 979 LYS H H 979 7.958 7.958 7.960 -0.002 25404 2739 1 9 . 1 1 980 980 GLU N N 980 117.008 117.008 120.422 -3.414 25404 2740 1 9 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.919 0.041 25404 2741 1 9 . 1 1 980 980 GLU C C 980 180.050 180.050 179.065 0.985 25404 2742 1 9 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.536 0.122 25404 2743 1 9 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.435 0.249 25404 2744 1 9 . 1 1 980 980 GLU H H 980 7.994 7.994 8.173 -0.179 25404 2745 1 9 . 1 1 981 981 ARG N N 981 119.530 119.530 118.946 0.584 25404 2746 1 9 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.986 0.194 25404 2747 1 9 . 1 1 981 981 ARG C C 981 179.556 179.556 178.756 0.800 25404 2748 1 9 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.020 -2.090 25404 2749 1 9 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.165 -0.415 25404 2750 1 9 . 1 1 981 981 ARG H H 981 8.159 8.159 7.883 0.276 25404 2751 1 9 . 1 1 982 982 ALA N N 982 126.163 126.163 122.841 3.322 25404 2752 1 9 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.193 0.057 25404 2753 1 9 . 1 1 982 982 ALA C C 982 182.415 182.415 180.379 2.036 25404 2754 1 9 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.852 1.565 25404 2755 1 9 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.642 0.968 25404 2756 1 9 . 1 1 982 982 ALA H H 982 8.947 8.947 8.314 0.633 25404 2757 1 9 . 1 1 983 983 LEU N N 983 119.414 119.414 119.192 0.222 25404 2758 1 9 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.208 0.222 25404 2759 1 9 . 1 1 983 983 LEU C C 983 178.652 178.652 178.950 -0.298 25404 2760 1 9 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.024 0.552 25404 2761 1 9 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.701 -0.331 25404 2762 1 9 . 1 1 983 983 LEU H H 983 8.638 8.638 8.609 0.029 25404 2763 1 9 . 1 1 984 984 SER N N 984 113.275 113.275 113.368 -0.093 25404 2764 1 9 . 1 1 984 984 SER HA H 984 4.690 4.690 4.432 0.258 25404 2765 1 9 . 1 1 984 984 SER C C 984 174.726 174.726 175.023 -0.297 25404 2766 1 9 . 1 1 984 984 SER CA C 984 59.300 59.300 58.535 0.765 25404 2767 1 9 . 1 1 984 984 SER CB C 984 64.400 64.400 63.499 0.901 25404 2768 1 9 . 1 1 984 984 SER H H 984 7.736 7.736 7.852 -0.116 25404 2769 1 9 . 1 1 985 985 GLY N N 985 108.346 108.346 108.224 0.122 25404 2770 1 9 . 1 1 985 985 GLY C C 985 174.740 174.740 174.024 0.716 25404 2771 1 9 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.750 1.013 25404 2772 1 9 . 1 1 985 985 GLY H H 985 7.880 7.880 7.549 0.331 25404 2773 1 9 . 1 1 986 986 ALA N N 986 123.024 123.024 122.238 0.786 25404 2774 1 9 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.428 -0.038 25404 2775 1 9 . 1 1 986 986 ALA C C 986 177.887 177.887 177.230 0.657 25404 2776 1 9 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.250 2.564 25404 2777 1 9 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.979 0.421 25404 2778 1 9 . 1 1 986 986 ALA H H 986 7.790 7.790 7.887 -0.097 25404 2779 1 9 . 1 1 987 987 SER N N 987 111.887 111.887 114.938 -3.051 25404 2780 1 9 . 1 1 987 987 SER HA H 987 4.730 4.730 4.452 0.278 25404 2781 1 9 . 1 1 987 987 SER C C 987 174.429 174.429 173.990 0.439 25404 2782 1 9 . 1 1 987 987 SER CA C 987 57.629 57.629 57.916 -0.287 25404 2783 1 9 . 1 1 987 987 SER CB C 987 64.309 64.309 63.099 1.210 25404 2784 1 9 . 1 1 987 987 SER H H 987 8.810 8.810 8.645 0.165 25404 2785 1 9 . 1 1 988 988 ASP N N 988 120.053 120.053 122.905 -2.852 25404 2786 1 9 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.615 0.320 25404 2787 1 9 . 1 1 988 988 ASP C C 988 173.389 173.389 176.535 -3.146 25404 2788 1 9 . 1 1 988 988 ASP CA C 988 53.413 53.413 55.033 -1.620 25404 2789 1 9 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.779 -0.619 25404 2790 1 9 . 1 1 988 988 ASP H H 988 7.933 7.933 7.936 -0.003 25404 2791 1 9 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.318 0.002 25404 2792 1 9 . 1 1 989 989 PRO C C 989 179.464 179.464 178.080 1.384 25404 2793 1 9 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.591 1.165 25404 2794 1 9 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.907 0.735 25404 2795 1 9 . 1 1 990 990 ASP N N 990 118.727 118.727 118.316 0.411 25404 2796 1 9 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.593 -0.006 25404 2797 1 9 . 1 1 990 990 ASP C C 990 178.185 178.185 178.367 -0.182 25404 2798 1 9 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.392 0.735 25404 2799 1 9 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.836 0.354 25404 2800 1 9 . 1 1 990 990 ASP H H 990 8.418 8.418 8.851 -0.433 25404 2801 1 9 . 1 1 991 991 SER N N 991 121.204 121.204 116.650 4.554 25404 2802 1 9 . 1 1 991 991 SER HA H 991 4.278 4.278 4.310 -0.032 25404 2803 1 9 . 1 1 991 991 SER CA C 991 64.100 64.100 61.944 2.156 25404 2804 1 9 . 1 1 991 991 SER CB C 991 62.832 62.832 63.228 -0.396 25404 2805 1 9 . 1 1 991 991 SER H H 991 8.093 8.093 7.816 0.277 25404 2806 1 9 . 1 1 992 992 GLN N N 992 119.137 119.137 120.678 -1.541 25404 2807 1 9 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.101 0.183 25404 2808 1 9 . 1 1 992 992 GLN C C 992 179.621 179.621 178.728 0.893 25404 2809 1 9 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.901 0.769 25404 2810 1 9 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.308 0.422 25404 2811 1 9 . 1 1 992 992 GLN H H 992 8.131 8.131 8.058 0.073 25404 2812 1 9 . 1 1 993 993 ARG N N 993 122.037 122.037 120.345 1.692 25404 2813 1 9 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.131 0.043 25404 2814 1 9 . 1 1 993 993 ARG C C 993 179.465 179.465 178.869 0.596 25404 2815 1 9 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.541 0.351 25404 2816 1 9 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.350 -0.058 25404 2817 1 9 . 1 1 993 993 ARG H H 993 8.345 8.345 8.184 0.161 25404 2818 1 9 . 1 1 994 994 TYR N N 994 122.855 122.855 121.338 1.517 25404 2819 1 9 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.429 0.171 25404 2820 1 9 . 1 1 994 994 TYR C C 994 176.468 176.468 177.457 -0.989 25404 2821 1 9 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.367 2.311 25404 2822 1 9 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.408 0.892 25404 2823 1 9 . 1 1 994 994 TYR H H 994 9.285 9.285 8.451 0.834 25404 2824 1 9 . 1 1 995 995 ASN N N 995 117.831 117.831 117.852 -0.021 25404 2825 1 9 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.110 0.439 25404 2826 1 9 . 1 1 995 995 ASN C C 995 178.763 178.763 177.590 1.173 25404 2827 1 9 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.325 0.617 25404 2828 1 9 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.461 -0.021 25404 2829 1 9 . 1 1 995 995 ASN H H 995 8.678 8.678 8.539 0.139 25404 2830 1 9 . 1 1 996 996 ALA N N 996 122.157 122.157 123.286 -1.129 25404 2831 1 9 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.107 0.263 25404 2832 1 9 . 1 1 996 996 ALA C C 996 179.848 179.848 178.923 0.925 25404 2833 1 9 . 1 1 996 996 ALA CA C 996 55.317 55.317 55.048 0.269 25404 2834 1 9 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.190 0.500 25404 2835 1 9 . 1 1 996 996 ALA H H 996 7.984 7.984 8.178 -0.194 25404 2836 1 9 . 1 1 997 997 TRP N N 997 123.610 123.610 121.525 2.085 25404 2837 1 9 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.184 0.197 25404 2838 1 9 . 1 1 997 997 TRP C C 997 178.383 178.383 177.924 0.459 25404 2839 1 9 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.049 0.133 25404 2840 1 9 . 1 1 997 997 TRP CB C 997 29.300 29.300 28.999 0.301 25404 2841 1 9 . 1 1 997 997 TRP H H 997 8.760 8.760 8.485 0.275 25404 2842 1 9 . 1 1 998 998 LEU N N 998 120.247 120.247 118.257 1.990 25404 2843 1 9 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.205 0.365 25404 2844 1 9 . 1 1 998 998 LEU C C 998 180.003 180.003 178.749 1.254 25404 2845 1 9 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.616 0.307 25404 2846 1 9 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.131 1.469 25404 2847 1 9 . 1 1 998 998 LEU H H 998 9.030 9.030 7.796 1.234 25404 2848 1 9 . 1 1 999 999 GLU N N 999 118.449 118.449 120.084 -1.635 25404 2849 1 9 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.967 0.099 25404 2850 1 9 . 1 1 999 999 GLU C C 999 178.785 178.785 179.034 -0.249 25404 2851 1 9 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.111 0.361 25404 2852 1 9 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.309 0.551 25404 2853 1 9 . 1 1 999 999 GLU H H 999 7.574 7.574 7.617 -0.043 25404 2854 1 10 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.013 0.387 25404 2855 1 10 . 1 1 946 946 ALA C C 946 177.730 177.730 177.687 0.043 25404 2856 1 10 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.750 0.195 25404 2857 1 10 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.455 0.315 25404 2858 1 10 . 1 1 946 946 ALA H H 946 8.480 8.480 8.124 0.356 25404 2859 1 10 . 1 1 947 947 MET N N 947 119.619 119.619 120.212 -0.593 25404 2860 1 10 . 1 1 947 947 MET HA H 947 4.520 4.520 4.266 0.254 25404 2861 1 10 . 1 1 947 947 MET C C 947 175.878 175.878 177.129 -1.251 25404 2862 1 10 . 1 1 947 947 MET CA C 947 55.676 55.676 55.445 0.231 25404 2863 1 10 . 1 1 947 947 MET CB C 947 33.450 33.450 31.951 1.499 25404 2864 1 10 . 1 1 947 947 MET H H 947 8.468 8.468 8.345 0.123 25404 2865 1 10 . 1 1 948 948 ALA N N 948 125.737 125.737 123.405 2.332 25404 2866 1 10 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.108 0.059 25404 2867 1 10 . 1 1 948 948 ALA C C 948 177.203 177.203 177.785 -0.582 25404 2868 1 10 . 1 1 948 948 ALA CA C 948 52.810 52.810 54.247 -1.437 25404 2869 1 10 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.000 0.522 25404 2870 1 10 . 1 1 948 948 ALA H H 948 8.432 8.432 7.511 0.921 25404 2871 1 10 . 1 1 949 949 ILE N N 949 119.982 119.982 113.213 6.769 25404 2872 1 10 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.355 -0.155 25404 2873 1 10 . 1 1 949 949 ILE C C 949 175.237 175.237 174.364 0.873 25404 2874 1 10 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.536 0.864 25404 2875 1 10 . 1 1 949 949 ILE CB C 949 39.460 39.460 40.330 -0.870 25404 2876 1 10 . 1 1 949 949 ILE H H 949 8.049 8.049 7.837 0.212 25404 2877 1 10 . 1 1 950 950 ALA N N 950 127.463 127.463 125.345 2.118 25404 2878 1 10 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.468 0.042 25404 2879 1 10 . 1 1 950 950 ALA C C 950 176.693 176.693 176.692 0.001 25404 2880 1 10 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.982 0.109 25404 2881 1 10 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.469 0.591 25404 2882 1 10 . 1 1 950 950 ALA H H 950 8.286 8.286 8.289 -0.003 25404 2883 1 10 . 1 1 951 951 LEU N N 951 120.899 120.899 121.751 -0.852 25404 2884 1 10 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.419 0.181 25404 2885 1 10 . 1 1 951 951 LEU C C 951 177.680 177.680 176.689 0.991 25404 2886 1 10 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.524 0.077 25404 2887 1 10 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.555 1.645 25404 2888 1 10 . 1 1 951 951 LEU H H 951 8.098 8.098 7.918 0.180 25404 2889 1 10 . 1 1 952 952 ARG N N 952 122.793 122.793 123.219 -0.426 25404 2890 1 10 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.300 0.257 25404 2891 1 10 . 1 1 952 952 ARG C C 952 177.543 177.543 177.385 0.158 25404 2892 1 10 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.201 0.075 25404 2893 1 10 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.100 1.730 25404 2894 1 10 . 1 1 952 952 ARG H H 952 9.312 9.312 8.429 0.883 25404 2895 1 10 . 1 1 953 953 ASP N N 953 122.129 122.129 120.640 1.489 25404 2896 1 10 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.406 0.084 25404 2897 1 10 . 1 1 953 953 ASP C C 953 177.472 177.472 178.085 -0.613 25404 2898 1 10 . 1 1 953 953 ASP CA C 953 58.086 58.086 57.889 0.197 25404 2899 1 10 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.563 -0.083 25404 2900 1 10 . 1 1 953 953 ASP H H 953 8.959 8.959 8.836 0.123 25404 2901 1 10 . 1 1 954 954 ASP N N 954 116.531 116.531 118.373 -1.842 25404 2902 1 10 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.495 0.135 25404 2903 1 10 . 1 1 954 954 ASP C C 954 178.707 178.707 178.584 0.123 25404 2904 1 10 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.165 -0.264 25404 2905 1 10 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.245 -0.145 25404 2906 1 10 . 1 1 954 954 ASP H H 954 8.776 8.776 8.566 0.210 25404 2907 1 10 . 1 1 955 955 GLU N N 955 121.514 121.514 120.502 1.012 25404 2908 1 10 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.290 0.260 25404 2909 1 10 . 1 1 955 955 GLU C C 955 177.302 177.302 179.050 -1.748 25404 2910 1 10 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.086 0.233 25404 2911 1 10 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.317 2.522 25404 2912 1 10 . 1 1 955 955 GLU H H 955 7.692 7.692 8.591 -0.899 25404 2913 1 10 . 1 1 956 956 TYR N N 956 120.780 120.780 121.587 -0.807 25404 2914 1 10 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.261 0.029 25404 2915 1 10 . 1 1 956 956 TYR C C 956 177.098 177.098 177.520 -0.422 25404 2916 1 10 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.142 0.808 25404 2917 1 10 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.605 -0.193 25404 2918 1 10 . 1 1 956 956 TYR H H 956 8.425 8.425 8.943 -0.518 25404 2919 1 10 . 1 1 957 957 ASP N N 957 118.102 118.102 118.467 -0.365 25404 2920 1 10 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.361 0.009 25404 2921 1 10 . 1 1 957 957 ASP C C 957 177.919 177.919 178.709 -0.790 25404 2922 1 10 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.594 0.060 25404 2923 1 10 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.220 0.311 25404 2924 1 10 . 1 1 957 957 ASP H H 957 8.169 8.169 8.020 0.149 25404 2925 1 10 . 1 1 958 958 GLU N N 958 121.150 121.150 121.806 -0.656 25404 2926 1 10 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.188 -0.128 25404 2927 1 10 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.327 1.783 25404 2928 1 10 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.870 0.960 25404 2929 1 10 . 1 1 958 958 GLU H H 958 7.782 7.782 7.636 0.146 25404 2930 1 10 . 1 1 959 959 TRP N N 959 120.489 120.489 121.921 -1.432 25404 2931 1 10 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.728 -0.359 25404 2932 1 10 . 1 1 959 959 TRP C C 959 176.651 176.651 178.104 -1.453 25404 2933 1 10 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.060 -2.269 25404 2934 1 10 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.160 -1.390 25404 2935 1 10 . 1 1 959 959 TRP H H 959 8.089 8.089 8.356 -0.267 25404 2936 1 10 . 1 1 960 960 GLN N N 960 113.509 113.509 116.192 -2.683 25404 2937 1 10 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.276 -0.155 25404 2938 1 10 . 1 1 960 960 GLN C C 960 179.089 179.089 178.560 0.529 25404 2939 1 10 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.566 -0.235 25404 2940 1 10 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.538 0.931 25404 2941 1 10 . 1 1 960 960 GLN H H 960 7.946 7.946 7.816 0.130 25404 2942 1 10 . 1 1 961 961 ASP N N 961 120.534 120.534 120.996 -0.462 25404 2943 1 10 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.363 0.157 25404 2944 1 10 . 1 1 961 961 ASP C C 961 177.660 177.660 178.696 -1.036 25404 2945 1 10 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.282 0.177 25404 2946 1 10 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.599 -0.229 25404 2947 1 10 . 1 1 961 961 ASP H H 961 8.253 8.253 8.122 0.131 25404 2948 1 10 . 1 1 962 962 ILE N N 962 124.280 124.280 120.572 3.708 25404 2949 1 10 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.770 0.300 25404 2950 1 10 . 1 1 962 962 ILE C C 962 177.301 177.301 177.003 0.298 25404 2951 1 10 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.988 2.112 25404 2952 1 10 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.549 -0.779 25404 2953 1 10 . 1 1 962 962 ILE H H 962 8.600 8.600 7.854 0.746 25404 2954 1 10 . 1 1 963 963 ILE N N 963 121.368 121.368 119.950 1.418 25404 2955 1 10 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.537 0.323 25404 2956 1 10 . 1 1 963 963 ILE C C 963 179.751 179.751 177.303 2.448 25404 2957 1 10 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.418 -0.309 25404 2958 1 10 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.228 1.262 25404 2959 1 10 . 1 1 963 963 ILE H H 963 7.377 7.377 7.401 -0.024 25404 2960 1 10 . 1 1 964 964 ARG N N 964 119.627 119.627 119.486 0.141 25404 2961 1 10 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.819 0.251 25404 2962 1 10 . 1 1 964 964 ARG C C 964 179.065 179.065 178.696 0.369 25404 2963 1 10 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.663 -0.509 25404 2964 1 10 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.832 0.968 25404 2965 1 10 . 1 1 964 964 ARG H H 964 7.209 7.209 7.657 -0.448 25404 2966 1 10 . 1 1 965 965 ASP N N 965 119.847 119.847 120.601 -0.754 25404 2967 1 10 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.264 0.356 25404 2968 1 10 . 1 1 965 965 ASP C C 965 178.787 178.787 177.130 1.657 25404 2969 1 10 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.392 1.025 25404 2970 1 10 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.042 0.573 25404 2971 1 10 . 1 1 965 965 ASP H H 965 9.098 9.098 7.683 1.415 25404 2972 1 10 . 1 1 966 966 TRP N N 966 118.678 118.678 116.680 1.998 25404 2973 1 10 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.462 0.278 25404 2974 1 10 . 1 1 966 966 TRP C C 966 176.094 176.094 175.758 0.336 25404 2975 1 10 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.930 -0.087 25404 2976 1 10 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.719 -1.119 25404 2977 1 10 . 1 1 966 966 TRP H H 966 9.253 9.253 7.196 2.057 25404 2978 1 10 . 1 1 967 967 ARG N N 967 116.998 116.998 116.367 0.631 25404 2979 1 10 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.964 0.066 25404 2980 1 10 . 1 1 967 967 ARG C C 967 174.965 174.965 175.584 -0.619 25404 2981 1 10 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.301 -0.295 25404 2982 1 10 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.238 -0.272 25404 2983 1 10 . 1 1 967 967 ARG H H 967 7.762 7.762 7.726 0.036 25404 2984 1 10 . 1 1 968 968 LYS N N 968 117.708 117.708 116.973 0.735 25404 2985 1 10 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.486 0.154 25404 2986 1 10 . 1 1 968 968 LYS C C 968 174.258 174.258 174.389 -0.131 25404 2987 1 10 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.959 0.280 25404 2988 1 10 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.232 1.882 25404 2989 1 10 . 1 1 968 968 LYS H H 968 7.462 7.462 7.567 -0.105 25404 2990 1 10 . 1 1 969 969 GLU N N 969 123.352 123.352 120.746 2.606 25404 2991 1 10 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.437 -0.270 25404 2992 1 10 . 1 1 969 969 GLU C C 969 175.962 175.962 174.825 1.137 25404 2993 1 10 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.057 1.089 25404 2994 1 10 . 1 1 969 969 GLU CB C 969 29.500 29.500 31.153 -1.653 25404 2995 1 10 . 1 1 969 969 GLU H H 969 8.559 8.559 8.323 0.236 25404 2996 1 10 . 1 1 970 970 MET N N 970 121.247 121.247 120.503 0.744 25404 2997 1 10 . 1 1 970 970 MET HA H 970 4.920 4.920 5.039 -0.119 25404 2998 1 10 . 1 1 970 970 MET C C 970 176.884 176.884 174.540 2.344 25404 2999 1 10 . 1 1 970 970 MET CA C 970 55.546 55.546 54.552 0.994 25404 3000 1 10 . 1 1 970 970 MET CB C 970 36.772 36.772 35.890 0.882 25404 3001 1 10 . 1 1 970 970 MET H H 970 7.314 7.314 8.047 -0.733 25404 3002 1 10 . 1 1 971 971 THR N N 971 118.284 118.284 109.624 8.660 25404 3003 1 10 . 1 1 971 971 THR HA H 971 4.740 4.740 4.892 -0.152 25404 3004 1 10 . 1 1 971 971 THR C C 971 175.112 175.112 174.623 0.489 25404 3005 1 10 . 1 1 971 971 THR CA C 971 61.582 61.582 60.583 0.999 25404 3006 1 10 . 1 1 971 971 THR CB C 971 71.203 71.203 71.580 -0.377 25404 3007 1 10 . 1 1 971 971 THR H H 971 9.129 9.129 8.074 1.055 25404 3008 1 10 . 1 1 972 972 VAL N N 972 121.240 121.240 122.171 -0.931 25404 3009 1 10 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.080 -0.350 25404 3010 1 10 . 1 1 972 972 VAL C C 972 177.014 177.014 177.799 -0.785 25404 3011 1 10 . 1 1 972 972 VAL CA C 972 67.110 67.110 66.182 0.928 25404 3012 1 10 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.026 0.273 25404 3013 1 10 . 1 1 972 972 VAL H H 972 8.745 8.745 8.402 0.343 25404 3014 1 10 . 1 1 973 973 GLN N N 973 117.672 117.672 117.650 0.022 25404 3015 1 10 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.874 -0.044 25404 3016 1 10 . 1 1 973 973 GLN C C 973 178.206 178.206 178.506 -0.300 25404 3017 1 10 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.563 -0.083 25404 3018 1 10 . 1 1 973 973 GLN CB C 973 28.920 28.920 27.838 1.082 25404 3019 1 10 . 1 1 973 973 GLN H H 973 8.179 8.179 8.712 -0.533 25404 3020 1 10 . 1 1 974 974 GLN N N 974 118.023 118.023 119.504 -1.481 25404 3021 1 10 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.042 0.048 25404 3022 1 10 . 1 1 974 974 GLN C C 974 179.457 179.457 178.354 1.103 25404 3023 1 10 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.888 0.235 25404 3024 1 10 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.163 0.987 25404 3025 1 10 . 1 1 974 974 GLN H H 974 7.797 7.797 7.629 0.168 25404 3026 1 10 . 1 1 975 975 PHE N N 975 121.801 121.801 121.253 0.548 25404 3027 1 10 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.207 0.143 25404 3028 1 10 . 1 1 975 975 PHE C C 975 175.313 175.313 177.243 -1.930 25404 3029 1 10 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.532 0.441 25404 3030 1 10 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.040 0.675 25404 3031 1 10 . 1 1 975 975 PHE H H 975 8.290 8.290 7.908 0.382 25404 3032 1 10 . 1 1 976 976 LEU N N 976 119.703 119.703 120.683 -0.980 25404 3033 1 10 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.591 -0.067 25404 3034 1 10 . 1 1 976 976 LEU C C 976 180.091 180.091 178.326 1.765 25404 3035 1 10 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.859 0.155 25404 3036 1 10 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.288 0.138 25404 3037 1 10 . 1 1 976 976 LEU H H 976 8.538 8.538 8.727 -0.189 25404 3038 1 10 . 1 1 977 977 ASP N N 977 119.392 119.392 119.440 -0.048 25404 3039 1 10 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.354 -0.044 25404 3040 1 10 . 1 1 977 977 ASP C C 977 178.035 178.035 178.406 -0.371 25404 3041 1 10 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.870 0.574 25404 3042 1 10 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.862 0.240 25404 3043 1 10 . 1 1 977 977 ASP H H 977 8.274 8.274 8.314 -0.040 25404 3044 1 10 . 1 1 978 978 LEU N N 978 122.575 122.575 121.062 1.513 25404 3045 1 10 . 1 1 978 978 LEU HA H 978 3.950 3.950 4.032 -0.082 25404 3046 1 10 . 1 1 978 978 LEU C C 978 176.975 176.975 178.135 -1.160 25404 3047 1 10 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.784 0.606 25404 3048 1 10 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.836 0.264 25404 3049 1 10 . 1 1 978 978 LEU H H 978 7.648 7.648 7.955 -0.307 25404 3050 1 10 . 1 1 979 979 LYS N N 979 118.441 118.441 118.253 0.188 25404 3051 1 10 . 1 1 979 979 LYS HA H 979 3.180 3.180 4.012 -0.832 25404 3052 1 10 . 1 1 979 979 LYS C C 979 177.972 177.972 178.350 -0.378 25404 3053 1 10 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.680 0.480 25404 3054 1 10 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.471 1.129 25404 3055 1 10 . 1 1 979 979 LYS H H 979 7.958 7.958 8.371 -0.413 25404 3056 1 10 . 1 1 980 980 GLU N N 980 117.008 117.008 120.955 -3.947 25404 3057 1 10 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.944 0.016 25404 3058 1 10 . 1 1 980 980 GLU C C 980 180.050 180.050 179.082 0.968 25404 3059 1 10 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.602 0.056 25404 3060 1 10 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.423 0.261 25404 3061 1 10 . 1 1 980 980 GLU H H 980 7.994 7.994 7.979 0.015 25404 3062 1 10 . 1 1 981 981 ARG N N 981 119.530 119.530 118.730 0.800 25404 3063 1 10 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.085 0.095 25404 3064 1 10 . 1 1 981 981 ARG C C 981 179.556 179.556 178.893 0.663 25404 3065 1 10 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.127 -2.197 25404 3066 1 10 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.335 -0.585 25404 3067 1 10 . 1 1 981 981 ARG H H 981 8.159 8.159 7.895 0.264 25404 3068 1 10 . 1 1 982 982 ALA N N 982 126.163 126.163 123.163 3.000 25404 3069 1 10 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.232 0.018 25404 3070 1 10 . 1 1 982 982 ALA C C 982 182.415 182.415 180.451 1.964 25404 3071 1 10 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.931 1.486 25404 3072 1 10 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.753 0.857 25404 3073 1 10 . 1 1 982 982 ALA H H 982 8.947 8.947 8.487 0.460 25404 3074 1 10 . 1 1 983 983 LEU N N 983 119.414 119.414 119.476 -0.062 25404 3075 1 10 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.195 0.235 25404 3076 1 10 . 1 1 983 983 LEU C C 983 178.652 178.652 178.788 -0.136 25404 3077 1 10 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.005 0.571 25404 3078 1 10 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.813 -0.443 25404 3079 1 10 . 1 1 983 983 LEU H H 983 8.638 8.638 8.711 -0.073 25404 3080 1 10 . 1 1 984 984 SER N N 984 113.275 113.275 112.939 0.336 25404 3081 1 10 . 1 1 984 984 SER HA H 984 4.690 4.690 4.408 0.282 25404 3082 1 10 . 1 1 984 984 SER C C 984 174.726 174.726 175.414 -0.688 25404 3083 1 10 . 1 1 984 984 SER CA C 984 59.300 59.300 58.583 0.717 25404 3084 1 10 . 1 1 984 984 SER CB C 984 64.400 64.400 63.834 0.566 25404 3085 1 10 . 1 1 984 984 SER H H 984 7.736 7.736 7.876 -0.140 25404 3086 1 10 . 1 1 985 985 GLY N N 985 108.346 108.346 109.417 -1.071 25404 3087 1 10 . 1 1 985 985 GLY C C 985 174.740 174.740 174.141 0.599 25404 3088 1 10 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.669 1.094 25404 3089 1 10 . 1 1 985 985 GLY H H 985 7.880 7.880 7.573 0.307 25404 3090 1 10 . 1 1 986 986 ALA N N 986 123.024 123.024 122.260 0.764 25404 3091 1 10 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.400 -0.010 25404 3092 1 10 . 1 1 986 986 ALA C C 986 177.887 177.887 176.992 0.895 25404 3093 1 10 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.699 2.115 25404 3094 1 10 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.969 0.431 25404 3095 1 10 . 1 1 986 986 ALA H H 986 7.790 7.790 7.847 -0.057 25404 3096 1 10 . 1 1 987 987 SER N N 987 111.887 111.887 114.592 -2.705 25404 3097 1 10 . 1 1 987 987 SER HA H 987 4.730 4.730 4.418 0.312 25404 3098 1 10 . 1 1 987 987 SER C C 987 174.429 174.429 174.184 0.245 25404 3099 1 10 . 1 1 987 987 SER CA C 987 57.629 57.629 57.808 -0.179 25404 3100 1 10 . 1 1 987 987 SER CB C 987 64.309 64.309 63.844 0.465 25404 3101 1 10 . 1 1 987 987 SER H H 987 8.810 8.810 8.198 0.612 25404 3102 1 10 . 1 1 988 988 ASP N N 988 120.053 120.053 121.525 -1.472 25404 3103 1 10 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.645 0.290 25404 3104 1 10 . 1 1 988 988 ASP C C 988 173.389 173.389 176.287 -2.898 25404 3105 1 10 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.218 0.195 25404 3106 1 10 . 1 1 988 988 ASP CB C 988 40.160 40.160 41.273 -1.113 25404 3107 1 10 . 1 1 988 988 ASP H H 988 7.933 7.933 7.730 0.203 25404 3108 1 10 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.207 0.113 25404 3109 1 10 . 1 1 989 989 PRO C C 989 179.464 179.464 177.991 1.473 25404 3110 1 10 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.544 1.212 25404 3111 1 10 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.877 0.765 25404 3112 1 10 . 1 1 990 990 ASP N N 990 118.727 118.727 118.058 0.669 25404 3113 1 10 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.652 -0.065 25404 3114 1 10 . 1 1 990 990 ASP C C 990 178.185 178.185 179.036 -0.851 25404 3115 1 10 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.472 0.655 25404 3116 1 10 . 1 1 990 990 ASP CB C 990 40.190 40.190 40.020 0.170 25404 3117 1 10 . 1 1 990 990 ASP H H 990 8.418 8.418 8.642 -0.224 25404 3118 1 10 . 1 1 991 991 SER N N 991 121.204 121.204 116.705 4.499 25404 3119 1 10 . 1 1 991 991 SER HA H 991 4.278 4.278 4.401 -0.123 25404 3120 1 10 . 1 1 991 991 SER CA C 991 64.100 64.100 62.032 2.068 25404 3121 1 10 . 1 1 991 991 SER CB C 991 62.832 62.832 63.162 -0.330 25404 3122 1 10 . 1 1 991 991 SER H H 991 8.093 8.093 8.855 -0.762 25404 3123 1 10 . 1 1 992 992 GLN N N 992 119.137 119.137 120.795 -1.658 25404 3124 1 10 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.083 0.201 25404 3125 1 10 . 1 1 992 992 GLN C C 992 179.621 179.621 178.744 0.877 25404 3126 1 10 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.885 0.785 25404 3127 1 10 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.309 0.421 25404 3128 1 10 . 1 1 992 992 GLN H H 992 8.131 8.131 7.993 0.138 25404 3129 1 10 . 1 1 993 993 ARG N N 993 122.037 122.037 120.557 1.480 25404 3130 1 10 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.120 0.054 25404 3131 1 10 . 1 1 993 993 ARG C C 993 179.465 179.465 178.858 0.607 25404 3132 1 10 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.553 0.339 25404 3133 1 10 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.302 -0.010 25404 3134 1 10 . 1 1 993 993 ARG H H 993 8.345 8.345 8.308 0.037 25404 3135 1 10 . 1 1 994 994 TYR N N 994 122.855 122.855 121.650 1.205 25404 3136 1 10 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.355 0.245 25404 3137 1 10 . 1 1 994 994 TYR C C 994 176.468 176.468 177.515 -1.047 25404 3138 1 10 . 1 1 994 994 TYR CA C 994 63.678 63.678 59.704 3.974 25404 3139 1 10 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.262 1.038 25404 3140 1 10 . 1 1 994 994 TYR H H 994 9.285 9.285 8.535 0.750 25404 3141 1 10 . 1 1 995 995 ASN N N 995 117.831 117.831 117.941 -0.110 25404 3142 1 10 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.012 0.537 25404 3143 1 10 . 1 1 995 995 ASN C C 995 178.763 178.763 177.500 1.263 25404 3144 1 10 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.969 -0.027 25404 3145 1 10 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.236 0.204 25404 3146 1 10 . 1 1 995 995 ASN H H 995 8.678 8.678 8.313 0.365 25404 3147 1 10 . 1 1 996 996 ALA N N 996 122.157 122.157 124.195 -2.038 25404 3148 1 10 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.139 0.231 25404 3149 1 10 . 1 1 996 996 ALA C C 996 179.848 179.848 179.142 0.706 25404 3150 1 10 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.912 0.405 25404 3151 1 10 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.564 0.126 25404 3152 1 10 . 1 1 996 996 ALA H H 996 7.984 7.984 8.181 -0.197 25404 3153 1 10 . 1 1 997 997 TRP N N 997 123.610 123.610 121.452 2.158 25404 3154 1 10 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.243 0.138 25404 3155 1 10 . 1 1 997 997 TRP C C 997 178.383 178.383 177.601 0.782 25404 3156 1 10 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.238 -0.056 25404 3157 1 10 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.209 0.091 25404 3158 1 10 . 1 1 997 997 TRP H H 997 8.760 8.760 8.450 0.310 25404 3159 1 10 . 1 1 998 998 LEU N N 998 120.247 120.247 118.095 2.152 25404 3160 1 10 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.420 0.150 25404 3161 1 10 . 1 1 998 998 LEU C C 998 180.003 180.003 178.770 1.233 25404 3162 1 10 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.912 0.011 25404 3163 1 10 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.385 1.215 25404 3164 1 10 . 1 1 998 998 LEU H H 998 9.030 9.030 8.066 0.964 25404 3165 1 10 . 1 1 999 999 GLU N N 999 118.449 118.449 120.406 -1.957 25404 3166 1 10 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.939 0.127 25404 3167 1 10 . 1 1 999 999 GLU C C 999 178.785 178.785 179.064 -0.279 25404 3168 1 10 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.608 -0.135 25404 3169 1 10 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.587 0.273 25404 3170 1 10 . 1 1 999 999 GLU H H 999 7.574 7.574 7.746 -0.172 25404 3171 1 11 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.501 -0.101 25404 3172 1 11 . 1 1 946 946 ALA C C 946 177.730 177.730 177.625 0.105 25404 3173 1 11 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.976 0.969 25404 3174 1 11 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.488 0.282 25404 3175 1 11 . 1 1 946 946 ALA H H 946 8.480 8.480 8.263 0.217 25404 3176 1 11 . 1 1 947 947 MET N N 947 119.619 119.619 121.946 -2.327 25404 3177 1 11 . 1 1 947 947 MET HA H 947 4.520 4.520 4.380 0.140 25404 3178 1 11 . 1 1 947 947 MET C C 947 175.878 175.878 177.441 -1.563 25404 3179 1 11 . 1 1 947 947 MET CA C 947 55.676 55.676 56.031 -0.355 25404 3180 1 11 . 1 1 947 947 MET CB C 947 33.450 33.450 32.767 0.683 25404 3181 1 11 . 1 1 947 947 MET H H 947 8.468 8.468 8.732 -0.264 25404 3182 1 11 . 1 1 948 948 ALA N N 948 125.737 125.737 124.620 1.117 25404 3183 1 11 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.266 -0.099 25404 3184 1 11 . 1 1 948 948 ALA C C 948 177.203 177.203 177.815 -0.612 25404 3185 1 11 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.608 0.203 25404 3186 1 11 . 1 1 948 948 ALA CB C 948 19.522 19.522 16.703 2.818 25404 3187 1 11 . 1 1 948 948 ALA H H 948 8.432 8.432 8.496 -0.064 25404 3188 1 11 . 1 1 949 949 ILE N N 949 119.982 119.982 116.431 3.551 25404 3189 1 11 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.883 0.317 25404 3190 1 11 . 1 1 949 949 ILE C C 949 175.237 175.237 176.766 -1.529 25404 3191 1 11 . 1 1 949 949 ILE CA C 949 61.400 61.400 62.120 -0.720 25404 3192 1 11 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.802 1.658 25404 3193 1 11 . 1 1 949 949 ILE H H 949 8.049 8.049 7.472 0.577 25404 3194 1 11 . 1 1 950 950 ALA N N 950 127.463 127.463 121.903 5.560 25404 3195 1 11 . 1 1 950 950 ALA HA H 950 4.510 4.510 3.981 0.529 25404 3196 1 11 . 1 1 950 950 ALA C C 950 176.693 176.693 176.856 -0.163 25404 3197 1 11 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.451 -0.360 25404 3198 1 11 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.010 2.050 25404 3199 1 11 . 1 1 950 950 ALA H H 950 8.286 8.286 7.935 0.351 25404 3200 1 11 . 1 1 951 951 LEU N N 951 120.899 120.899 114.922 5.977 25404 3201 1 11 . 1 1 951 951 LEU HA H 951 4.600 4.600 3.998 0.602 25404 3202 1 11 . 1 1 951 951 LEU C C 951 177.680 177.680 176.694 0.986 25404 3203 1 11 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.719 -1.119 25404 3204 1 11 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.411 1.789 25404 3205 1 11 . 1 1 951 951 LEU H H 951 8.098 8.098 8.058 0.040 25404 3206 1 11 . 1 1 952 952 ARG N N 952 122.793 122.793 119.065 3.728 25404 3207 1 11 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.272 0.285 25404 3208 1 11 . 1 1 952 952 ARG C C 952 177.543 177.543 177.142 0.401 25404 3209 1 11 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.112 0.164 25404 3210 1 11 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.815 2.015 25404 3211 1 11 . 1 1 952 952 ARG H H 952 9.312 9.312 8.297 1.015 25404 3212 1 11 . 1 1 953 953 ASP N N 953 122.129 122.129 121.939 0.190 25404 3213 1 11 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.462 0.028 25404 3214 1 11 . 1 1 953 953 ASP C C 953 177.472 177.472 178.455 -0.983 25404 3215 1 11 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.157 -0.071 25404 3216 1 11 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.394 0.086 25404 3217 1 11 . 1 1 953 953 ASP H H 953 8.959 8.959 8.891 0.068 25404 3218 1 11 . 1 1 954 954 ASP N N 954 116.531 116.531 118.774 -2.243 25404 3219 1 11 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.423 0.207 25404 3220 1 11 . 1 1 954 954 ASP C C 954 178.707 178.707 178.309 0.398 25404 3221 1 11 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.969 -1.068 25404 3222 1 11 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.636 -0.536 25404 3223 1 11 . 1 1 954 954 ASP H H 954 8.776 8.776 8.616 0.160 25404 3224 1 11 . 1 1 955 955 GLU N N 955 121.514 121.514 119.566 1.948 25404 3225 1 11 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.276 0.274 25404 3226 1 11 . 1 1 955 955 GLU C C 955 177.302 177.302 178.623 -1.321 25404 3227 1 11 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.289 0.030 25404 3228 1 11 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.310 2.530 25404 3229 1 11 . 1 1 955 955 GLU H H 955 7.692 7.692 8.731 -1.039 25404 3230 1 11 . 1 1 956 956 TYR N N 956 120.780 120.780 121.594 -0.814 25404 3231 1 11 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.253 0.037 25404 3232 1 11 . 1 1 956 956 TYR C C 956 177.098 177.098 177.524 -0.426 25404 3233 1 11 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.937 1.013 25404 3234 1 11 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.615 -0.203 25404 3235 1 11 . 1 1 956 956 TYR H H 956 8.425 8.425 8.939 -0.514 25404 3236 1 11 . 1 1 957 957 ASP N N 957 118.102 118.102 118.356 -0.254 25404 3237 1 11 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.226 0.144 25404 3238 1 11 . 1 1 957 957 ASP C C 957 177.919 177.919 178.644 -0.725 25404 3239 1 11 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.209 0.445 25404 3240 1 11 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.545 -0.014 25404 3241 1 11 . 1 1 957 957 ASP H H 957 8.169 8.169 7.975 0.194 25404 3242 1 11 . 1 1 958 958 GLU N N 958 121.150 121.150 121.613 -0.463 25404 3243 1 11 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.221 -0.161 25404 3244 1 11 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.371 1.739 25404 3245 1 11 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.661 1.169 25404 3246 1 11 . 1 1 958 958 GLU H H 958 7.782 7.782 7.646 0.136 25404 3247 1 11 . 1 1 959 959 TRP N N 959 120.489 120.489 121.681 -1.192 25404 3248 1 11 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.448 -0.079 25404 3249 1 11 . 1 1 959 959 TRP C C 959 176.651 176.651 177.935 -1.284 25404 3250 1 11 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.672 -1.881 25404 3251 1 11 . 1 1 959 959 TRP CB C 959 27.770 27.770 28.962 -1.192 25404 3252 1 11 . 1 1 959 959 TRP H H 959 8.089 8.089 8.372 -0.283 25404 3253 1 11 . 1 1 960 960 GLN N N 960 113.509 113.509 116.115 -2.606 25404 3254 1 11 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.178 -0.058 25404 3255 1 11 . 1 1 960 960 GLN C C 960 179.089 179.089 178.568 0.521 25404 3256 1 11 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.548 -0.217 25404 3257 1 11 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.324 1.146 25404 3258 1 11 . 1 1 960 960 GLN H H 960 7.946 7.946 7.758 0.188 25404 3259 1 11 . 1 1 961 961 ASP N N 961 120.534 120.534 120.384 0.150 25404 3260 1 11 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.344 0.176 25404 3261 1 11 . 1 1 961 961 ASP C C 961 177.660 177.660 178.728 -1.068 25404 3262 1 11 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.160 0.299 25404 3263 1 11 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.492 -0.122 25404 3264 1 11 . 1 1 961 961 ASP H H 961 8.253 8.253 7.848 0.405 25404 3265 1 11 . 1 1 962 962 ILE N N 962 124.280 124.280 120.886 3.394 25404 3266 1 11 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.105 -0.035 25404 3267 1 11 . 1 1 962 962 ILE C C 962 177.301 177.301 176.718 0.583 25404 3268 1 11 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.169 2.932 25404 3269 1 11 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.805 -1.035 25404 3270 1 11 . 1 1 962 962 ILE H H 962 8.600 8.600 7.625 0.975 25404 3271 1 11 . 1 1 963 963 ILE N N 963 121.368 121.368 121.016 0.352 25404 3272 1 11 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.626 0.234 25404 3273 1 11 . 1 1 963 963 ILE C C 963 179.751 179.751 177.858 1.893 25404 3274 1 11 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.384 -0.275 25404 3275 1 11 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.459 1.031 25404 3276 1 11 . 1 1 963 963 ILE H H 963 7.377 7.377 7.530 -0.153 25404 3277 1 11 . 1 1 964 964 ARG N N 964 119.627 119.627 118.934 0.693 25404 3278 1 11 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.831 0.239 25404 3279 1 11 . 1 1 964 964 ARG C C 964 179.065 179.065 178.516 0.549 25404 3280 1 11 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.370 -0.216 25404 3281 1 11 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.963 0.837 25404 3282 1 11 . 1 1 964 964 ARG H H 964 7.209 7.209 7.574 -0.365 25404 3283 1 11 . 1 1 965 965 ASP N N 965 119.847 119.847 119.614 0.233 25404 3284 1 11 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.238 0.382 25404 3285 1 11 . 1 1 965 965 ASP C C 965 178.787 178.787 177.113 1.674 25404 3286 1 11 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.230 1.187 25404 3287 1 11 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.100 0.515 25404 3288 1 11 . 1 1 965 965 ASP H H 965 9.098 9.098 7.623 1.475 25404 3289 1 11 . 1 1 966 966 TRP N N 966 118.678 118.678 116.488 2.190 25404 3290 1 11 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.493 0.247 25404 3291 1 11 . 1 1 966 966 TRP C C 966 176.094 176.094 175.648 0.446 25404 3292 1 11 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.717 0.126 25404 3293 1 11 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.528 -0.928 25404 3294 1 11 . 1 1 966 966 TRP H H 966 9.253 9.253 7.181 2.072 25404 3295 1 11 . 1 1 967 967 ARG N N 967 116.998 116.998 114.473 2.525 25404 3296 1 11 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.924 0.106 25404 3297 1 11 . 1 1 967 967 ARG C C 967 174.965 174.965 175.554 -0.589 25404 3298 1 11 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.403 -0.397 25404 3299 1 11 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.502 -0.536 25404 3300 1 11 . 1 1 967 967 ARG H H 967 7.762 7.762 7.523 0.239 25404 3301 1 11 . 1 1 968 968 LYS N N 968 117.708 117.708 117.315 0.393 25404 3302 1 11 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.588 0.052 25404 3303 1 11 . 1 1 968 968 LYS C C 968 174.258 174.258 174.422 -0.164 25404 3304 1 11 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.434 0.805 25404 3305 1 11 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.244 0.870 25404 3306 1 11 . 1 1 968 968 LYS H H 968 7.462 7.462 7.607 -0.145 25404 3307 1 11 . 1 1 969 969 GLU N N 969 123.352 123.352 122.104 1.248 25404 3308 1 11 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.274 -0.107 25404 3309 1 11 . 1 1 969 969 GLU C C 969 175.962 175.962 175.734 0.228 25404 3310 1 11 . 1 1 969 969 GLU CA C 969 57.146 57.146 57.018 0.128 25404 3311 1 11 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.247 -0.747 25404 3312 1 11 . 1 1 969 969 GLU H H 969 8.559 8.559 8.450 0.109 25404 3313 1 11 . 1 1 970 970 MET N N 970 121.247 121.247 122.744 -1.497 25404 3314 1 11 . 1 1 970 970 MET HA H 970 4.920 4.920 4.877 0.043 25404 3315 1 11 . 1 1 970 970 MET C C 970 176.884 176.884 174.636 2.248 25404 3316 1 11 . 1 1 970 970 MET CA C 970 55.546 55.546 54.022 1.524 25404 3317 1 11 . 1 1 970 970 MET CB C 970 36.772 36.772 35.641 1.131 25404 3318 1 11 . 1 1 970 970 MET H H 970 7.314 7.314 7.924 -0.610 25404 3319 1 11 . 1 1 971 971 THR N N 971 118.284 118.284 109.542 8.742 25404 3320 1 11 . 1 1 971 971 THR HA H 971 4.740 4.740 4.858 -0.118 25404 3321 1 11 . 1 1 971 971 THR C C 971 175.112 175.112 175.660 -0.548 25404 3322 1 11 . 1 1 971 971 THR CA C 971 61.582 61.582 60.611 0.971 25404 3323 1 11 . 1 1 971 971 THR CB C 971 71.203 71.203 71.263 -0.060 25404 3324 1 11 . 1 1 971 971 THR H H 971 9.129 9.129 8.110 1.019 25404 3325 1 11 . 1 1 972 972 VAL N N 972 121.240 121.240 122.776 -1.536 25404 3326 1 11 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.127 -0.397 25404 3327 1 11 . 1 1 972 972 VAL C C 972 177.014 177.014 177.878 -0.864 25404 3328 1 11 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.594 1.516 25404 3329 1 11 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.363 -0.063 25404 3330 1 11 . 1 1 972 972 VAL H H 972 8.745 8.745 8.553 0.192 25404 3331 1 11 . 1 1 973 973 GLN N N 973 117.672 117.672 118.147 -0.475 25404 3332 1 11 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.859 -0.029 25404 3333 1 11 . 1 1 973 973 GLN C C 973 178.206 178.206 178.557 -0.351 25404 3334 1 11 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.648 -0.168 25404 3335 1 11 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.039 0.881 25404 3336 1 11 . 1 1 973 973 GLN H H 973 8.179 8.179 8.549 -0.370 25404 3337 1 11 . 1 1 974 974 GLN N N 974 118.023 118.023 118.698 -0.675 25404 3338 1 11 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.001 0.089 25404 3339 1 11 . 1 1 974 974 GLN C C 974 179.457 179.457 178.363 1.094 25404 3340 1 11 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.615 0.508 25404 3341 1 11 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.078 1.072 25404 3342 1 11 . 1 1 974 974 GLN H H 974 7.797 7.797 7.682 0.115 25404 3343 1 11 . 1 1 975 975 PHE N N 975 121.801 121.801 121.192 0.609 25404 3344 1 11 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.201 0.149 25404 3345 1 11 . 1 1 975 975 PHE C C 975 175.313 175.313 177.210 -1.897 25404 3346 1 11 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.005 -0.032 25404 3347 1 11 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.136 0.579 25404 3348 1 11 . 1 1 975 975 PHE H H 975 8.290 8.290 7.680 0.610 25404 3349 1 11 . 1 1 976 976 LEU N N 976 119.703 119.703 120.786 -1.083 25404 3350 1 11 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.609 -0.085 25404 3351 1 11 . 1 1 976 976 LEU C C 976 180.091 180.091 178.001 2.090 25404 3352 1 11 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.376 -0.362 25404 3353 1 11 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.456 -0.029 25404 3354 1 11 . 1 1 976 976 LEU H H 976 8.538 8.538 8.895 -0.357 25404 3355 1 11 . 1 1 977 977 ASP N N 977 119.392 119.392 119.236 0.156 25404 3356 1 11 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.320 -0.010 25404 3357 1 11 . 1 1 977 977 ASP C C 977 178.035 178.035 178.393 -0.358 25404 3358 1 11 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.802 0.642 25404 3359 1 11 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.804 0.298 25404 3360 1 11 . 1 1 977 977 ASP H H 977 8.274 8.274 8.487 -0.213 25404 3361 1 11 . 1 1 978 978 LEU N N 978 122.575 122.575 121.137 1.438 25404 3362 1 11 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.929 0.021 25404 3363 1 11 . 1 1 978 978 LEU C C 978 176.975 176.975 177.911 -0.936 25404 3364 1 11 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.658 0.731 25404 3365 1 11 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.701 0.399 25404 3366 1 11 . 1 1 978 978 LEU H H 978 7.648 7.648 7.844 -0.196 25404 3367 1 11 . 1 1 979 979 LYS N N 979 118.441 118.441 118.032 0.409 25404 3368 1 11 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.476 -0.296 25404 3369 1 11 . 1 1 979 979 LYS C C 979 177.972 177.972 178.148 -0.176 25404 3370 1 11 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.511 0.649 25404 3371 1 11 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.347 1.253 25404 3372 1 11 . 1 1 979 979 LYS H H 979 7.958 7.958 7.983 -0.025 25404 3373 1 11 . 1 1 980 980 GLU N N 980 117.008 117.008 120.729 -3.721 25404 3374 1 11 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.828 0.132 25404 3375 1 11 . 1 1 980 980 GLU C C 980 180.050 180.050 178.958 1.092 25404 3376 1 11 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.661 -0.003 25404 3377 1 11 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.501 0.183 25404 3378 1 11 . 1 1 980 980 GLU H H 980 7.994 7.994 8.050 -0.056 25404 3379 1 11 . 1 1 981 981 ARG N N 981 119.530 119.530 118.740 0.790 25404 3380 1 11 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.977 0.203 25404 3381 1 11 . 1 1 981 981 ARG C C 981 179.556 179.556 178.724 0.832 25404 3382 1 11 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.055 -2.125 25404 3383 1 11 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.139 -0.389 25404 3384 1 11 . 1 1 981 981 ARG H H 981 8.159 8.159 7.901 0.258 25404 3385 1 11 . 1 1 982 982 ALA N N 982 126.163 126.163 122.979 3.184 25404 3386 1 11 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.190 0.060 25404 3387 1 11 . 1 1 982 982 ALA C C 982 182.415 182.415 180.462 1.953 25404 3388 1 11 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.802 1.615 25404 3389 1 11 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.593 1.018 25404 3390 1 11 . 1 1 982 982 ALA H H 982 8.947 8.947 7.916 1.031 25404 3391 1 11 . 1 1 983 983 LEU N N 983 119.414 119.414 119.179 0.235 25404 3392 1 11 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.167 0.263 25404 3393 1 11 . 1 1 983 983 LEU C C 983 178.652 178.652 178.965 -0.313 25404 3394 1 11 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.137 0.439 25404 3395 1 11 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.714 -0.344 25404 3396 1 11 . 1 1 983 983 LEU H H 983 8.638 8.638 8.748 -0.110 25404 3397 1 11 . 1 1 984 984 SER N N 984 113.275 113.275 113.360 -0.085 25404 3398 1 11 . 1 1 984 984 SER HA H 984 4.690 4.690 4.420 0.270 25404 3399 1 11 . 1 1 984 984 SER C C 984 174.726 174.726 174.717 0.009 25404 3400 1 11 . 1 1 984 984 SER CA C 984 59.300 59.300 58.864 0.436 25404 3401 1 11 . 1 1 984 984 SER CB C 984 64.400 64.400 63.604 0.796 25404 3402 1 11 . 1 1 984 984 SER H H 984 7.736 7.736 7.872 -0.136 25404 3403 1 11 . 1 1 985 985 GLY N N 985 108.346 108.346 108.494 -0.148 25404 3404 1 11 . 1 1 985 985 GLY C C 985 174.740 174.740 173.833 0.907 25404 3405 1 11 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.969 0.794 25404 3406 1 11 . 1 1 985 985 GLY H H 985 7.880 7.880 7.678 0.202 25404 3407 1 11 . 1 1 986 986 ALA N N 986 123.024 123.024 122.365 0.659 25404 3408 1 11 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.396 -0.006 25404 3409 1 11 . 1 1 986 986 ALA C C 986 177.887 177.887 177.501 0.386 25404 3410 1 11 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.849 1.965 25404 3411 1 11 . 1 1 986 986 ALA CB C 986 20.400 20.400 20.055 0.345 25404 3412 1 11 . 1 1 986 986 ALA H H 986 7.790 7.790 7.885 -0.095 25404 3413 1 11 . 1 1 987 987 SER N N 987 111.887 111.887 115.601 -3.714 25404 3414 1 11 . 1 1 987 987 SER HA H 987 4.730 4.730 4.442 0.288 25404 3415 1 11 . 1 1 987 987 SER C C 987 174.429 174.429 173.928 0.501 25404 3416 1 11 . 1 1 987 987 SER CA C 987 57.629 57.629 58.418 -0.789 25404 3417 1 11 . 1 1 987 987 SER CB C 987 64.309 64.309 63.685 0.624 25404 3418 1 11 . 1 1 987 987 SER H H 987 8.810 8.810 8.679 0.131 25404 3419 1 11 . 1 1 988 988 ASP N N 988 120.053 120.053 124.777 -4.724 25404 3420 1 11 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.602 0.333 25404 3421 1 11 . 1 1 988 988 ASP C C 988 173.389 173.389 176.410 -3.021 25404 3422 1 11 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.832 -1.419 25404 3423 1 11 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.746 -0.586 25404 3424 1 11 . 1 1 988 988 ASP H H 988 7.933 7.933 7.962 -0.029 25404 3425 1 11 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.216 0.104 25404 3426 1 11 . 1 1 989 989 PRO C C 989 179.464 179.464 177.851 1.613 25404 3427 1 11 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.739 1.017 25404 3428 1 11 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.914 0.728 25404 3429 1 11 . 1 1 990 990 ASP N N 990 118.727 118.727 117.845 0.882 25404 3430 1 11 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.544 0.043 25404 3431 1 11 . 1 1 990 990 ASP C C 990 178.185 178.185 178.994 -0.809 25404 3432 1 11 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.541 0.586 25404 3433 1 11 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.934 0.256 25404 3434 1 11 . 1 1 990 990 ASP H H 990 8.418 8.418 8.804 -0.386 25404 3435 1 11 . 1 1 991 991 SER N N 991 121.204 121.204 115.883 5.321 25404 3436 1 11 . 1 1 991 991 SER HA H 991 4.278 4.278 4.214 0.064 25404 3437 1 11 . 1 1 991 991 SER CA C 991 64.100 64.100 61.357 2.743 25404 3438 1 11 . 1 1 991 991 SER CB C 991 62.832 62.832 63.061 -0.229 25404 3439 1 11 . 1 1 991 991 SER H H 991 8.093 8.093 7.637 0.456 25404 3440 1 11 . 1 1 992 992 GLN N N 992 119.137 119.137 120.275 -1.138 25404 3441 1 11 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.074 0.210 25404 3442 1 11 . 1 1 992 992 GLN C C 992 179.621 179.621 178.631 0.990 25404 3443 1 11 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.728 0.942 25404 3444 1 11 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.386 0.344 25404 3445 1 11 . 1 1 992 992 GLN H H 992 8.131 8.131 7.959 0.172 25404 3446 1 11 . 1 1 993 993 ARG N N 993 122.037 122.037 120.557 1.480 25404 3447 1 11 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.107 0.067 25404 3448 1 11 . 1 1 993 993 ARG C C 993 179.465 179.465 178.826 0.639 25404 3449 1 11 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.558 0.334 25404 3450 1 11 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.265 0.027 25404 3451 1 11 . 1 1 993 993 ARG H H 993 8.345 8.345 8.130 0.215 25404 3452 1 11 . 1 1 994 994 TYR N N 994 122.855 122.855 121.606 1.249 25404 3453 1 11 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.341 0.259 25404 3454 1 11 . 1 1 994 994 TYR C C 994 176.468 176.468 177.507 -1.039 25404 3455 1 11 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.624 2.054 25404 3456 1 11 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.517 0.782 25404 3457 1 11 . 1 1 994 994 TYR H H 994 9.285 9.285 8.602 0.683 25404 3458 1 11 . 1 1 995 995 ASN N N 995 117.831 117.831 117.781 0.050 25404 3459 1 11 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.286 0.263 25404 3460 1 11 . 1 1 995 995 ASN C C 995 178.763 178.763 177.798 0.965 25404 3461 1 11 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.441 0.501 25404 3462 1 11 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.076 0.364 25404 3463 1 11 . 1 1 995 995 ASN H H 995 8.678 8.678 8.520 0.158 25404 3464 1 11 . 1 1 996 996 ALA N N 996 122.157 122.157 123.280 -1.123 25404 3465 1 11 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.127 0.243 25404 3466 1 11 . 1 1 996 996 ALA C C 996 179.848 179.848 179.147 0.701 25404 3467 1 11 . 1 1 996 996 ALA CA C 996 55.317 55.317 55.019 0.298 25404 3468 1 11 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.220 0.470 25404 3469 1 11 . 1 1 996 996 ALA H H 996 7.984 7.984 8.156 -0.172 25404 3470 1 11 . 1 1 997 997 TRP N N 997 123.610 123.610 121.027 2.583 25404 3471 1 11 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.167 0.214 25404 3472 1 11 . 1 1 997 997 TRP C C 997 178.383 178.383 177.981 0.402 25404 3473 1 11 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.811 0.371 25404 3474 1 11 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.183 0.117 25404 3475 1 11 . 1 1 997 997 TRP H H 997 8.760 8.760 8.396 0.364 25404 3476 1 11 . 1 1 998 998 LEU N N 998 120.247 120.247 118.545 1.702 25404 3477 1 11 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.379 0.191 25404 3478 1 11 . 1 1 998 998 LEU C C 998 180.003 180.003 179.137 0.866 25404 3479 1 11 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.477 0.446 25404 3480 1 11 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.215 1.385 25404 3481 1 11 . 1 1 998 998 LEU H H 998 9.030 9.030 8.055 0.975 25404 3482 1 11 . 1 1 999 999 GLU N N 999 118.449 118.449 120.310 -1.861 25404 3483 1 11 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.960 0.106 25404 3484 1 11 . 1 1 999 999 GLU C C 999 178.785 178.785 179.077 -0.292 25404 3485 1 11 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.309 0.164 25404 3486 1 11 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.286 0.574 25404 3487 1 11 . 1 1 999 999 GLU H H 999 7.574 7.574 7.724 -0.150 25404 3488 1 12 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.655 -0.255 25404 3489 1 12 . 1 1 946 946 ALA C C 946 177.730 177.730 177.125 0.605 25404 3490 1 12 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.547 1.398 25404 3491 1 12 . 1 1 946 946 ALA CB C 946 19.770 19.770 20.772 -1.002 25404 3492 1 12 . 1 1 946 946 ALA H H 946 8.480 8.480 8.126 0.354 25404 3493 1 12 . 1 1 947 947 MET N N 947 119.619 119.619 119.747 -0.128 25404 3494 1 12 . 1 1 947 947 MET HA H 947 4.520 4.520 4.260 0.260 25404 3495 1 12 . 1 1 947 947 MET C C 947 175.878 175.878 176.277 -0.399 25404 3496 1 12 . 1 1 947 947 MET CA C 947 55.676 55.676 56.217 -0.541 25404 3497 1 12 . 1 1 947 947 MET CB C 947 33.450 33.450 32.582 0.868 25404 3498 1 12 . 1 1 947 947 MET H H 947 8.468 8.468 8.637 -0.169 25404 3499 1 12 . 1 1 948 948 ALA N N 948 125.737 125.737 121.729 4.008 25404 3500 1 12 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.191 -0.024 25404 3501 1 12 . 1 1 948 948 ALA C C 948 177.203 177.203 178.124 -0.921 25404 3502 1 12 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.084 -0.274 25404 3503 1 12 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.528 0.994 25404 3504 1 12 . 1 1 948 948 ALA H H 948 8.432 8.432 7.903 0.529 25404 3505 1 12 . 1 1 949 949 ILE N N 949 119.982 119.982 116.713 3.269 25404 3506 1 12 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.930 0.270 25404 3507 1 12 . 1 1 949 949 ILE C C 949 175.237 175.237 175.526 -0.289 25404 3508 1 12 . 1 1 949 949 ILE CA C 949 61.400 61.400 62.069 -0.669 25404 3509 1 12 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.727 0.733 25404 3510 1 12 . 1 1 949 949 ILE H H 949 8.049 8.049 7.693 0.356 25404 3511 1 12 . 1 1 950 950 ALA N N 950 127.463 127.463 123.105 4.358 25404 3512 1 12 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.420 0.090 25404 3513 1 12 . 1 1 950 950 ALA C C 950 176.693 176.693 176.828 -0.135 25404 3514 1 12 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.881 0.210 25404 3515 1 12 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.799 0.261 25404 3516 1 12 . 1 1 950 950 ALA H H 950 8.286 8.286 8.242 0.044 25404 3517 1 12 . 1 1 951 951 LEU N N 951 120.899 120.899 121.614 -0.715 25404 3518 1 12 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.404 0.196 25404 3519 1 12 . 1 1 951 951 LEU C C 951 177.680 177.680 176.494 1.186 25404 3520 1 12 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.871 -0.270 25404 3521 1 12 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.790 1.410 25404 3522 1 12 . 1 1 951 951 LEU H H 951 8.098 8.098 7.719 0.379 25404 3523 1 12 . 1 1 952 952 ARG N N 952 122.793 122.793 121.988 0.805 25404 3524 1 12 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.435 0.122 25404 3525 1 12 . 1 1 952 952 ARG C C 952 177.543 177.543 176.871 0.672 25404 3526 1 12 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.830 0.446 25404 3527 1 12 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.405 1.425 25404 3528 1 12 . 1 1 952 952 ARG H H 952 9.312 9.312 8.294 1.018 25404 3529 1 12 . 1 1 953 953 ASP N N 953 122.129 122.129 121.767 0.362 25404 3530 1 12 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.449 0.041 25404 3531 1 12 . 1 1 953 953 ASP C C 953 177.472 177.472 178.187 -0.715 25404 3532 1 12 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.129 -0.043 25404 3533 1 12 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.305 0.175 25404 3534 1 12 . 1 1 953 953 ASP H H 953 8.959 8.959 8.880 0.079 25404 3535 1 12 . 1 1 954 954 ASP N N 954 116.531 116.531 118.747 -2.216 25404 3536 1 12 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.459 0.171 25404 3537 1 12 . 1 1 954 954 ASP C C 954 178.707 178.707 178.525 0.182 25404 3538 1 12 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.489 -0.588 25404 3539 1 12 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.025 0.075 25404 3540 1 12 . 1 1 954 954 ASP H H 954 8.776 8.776 8.687 0.089 25404 3541 1 12 . 1 1 955 955 GLU N N 955 121.514 121.514 120.572 0.942 25404 3542 1 12 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.308 0.242 25404 3543 1 12 . 1 1 955 955 GLU C C 955 177.302 177.302 179.131 -1.829 25404 3544 1 12 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.136 0.183 25404 3545 1 12 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.353 2.487 25404 3546 1 12 . 1 1 955 955 GLU H H 955 7.692 7.692 8.603 -0.911 25404 3547 1 12 . 1 1 956 956 TYR N N 956 120.780 120.780 121.738 -0.958 25404 3548 1 12 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.287 0.003 25404 3549 1 12 . 1 1 956 956 TYR C C 956 177.098 177.098 177.646 -0.548 25404 3550 1 12 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.970 0.980 25404 3551 1 12 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.723 -0.311 25404 3552 1 12 . 1 1 956 956 TYR H H 956 8.425 8.425 8.936 -0.511 25404 3553 1 12 . 1 1 957 957 ASP N N 957 118.102 118.102 118.991 -0.889 25404 3554 1 12 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.345 0.025 25404 3555 1 12 . 1 1 957 957 ASP C C 957 177.919 177.919 178.338 -0.419 25404 3556 1 12 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.059 0.595 25404 3557 1 12 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.568 -0.037 25404 3558 1 12 . 1 1 957 957 ASP H H 957 8.169 8.169 8.471 -0.302 25404 3559 1 12 . 1 1 958 958 GLU N N 958 121.150 121.150 121.298 -0.148 25404 3560 1 12 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.186 -0.126 25404 3561 1 12 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.338 1.772 25404 3562 1 12 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.811 1.019 25404 3563 1 12 . 1 1 958 958 GLU H H 958 7.782 7.782 7.879 -0.097 25404 3564 1 12 . 1 1 959 959 TRP N N 959 120.489 120.489 122.110 -1.621 25404 3565 1 12 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.780 -0.411 25404 3566 1 12 . 1 1 959 959 TRP C C 959 176.651 176.651 178.127 -1.476 25404 3567 1 12 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.996 -2.205 25404 3568 1 12 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.103 -1.333 25404 3569 1 12 . 1 1 959 959 TRP H H 959 8.089 8.089 8.394 -0.305 25404 3570 1 12 . 1 1 960 960 GLN N N 960 113.509 113.509 116.851 -3.342 25404 3571 1 12 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.216 -0.096 25404 3572 1 12 . 1 1 960 960 GLN C C 960 179.089 179.089 178.584 0.505 25404 3573 1 12 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.531 -0.200 25404 3574 1 12 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.495 0.975 25404 3575 1 12 . 1 1 960 960 GLN H H 960 7.946 7.946 7.892 0.054 25404 3576 1 12 . 1 1 961 961 ASP N N 961 120.534 120.534 120.827 -0.293 25404 3577 1 12 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.380 0.140 25404 3578 1 12 . 1 1 961 961 ASP C C 961 177.660 177.660 178.849 -1.189 25404 3579 1 12 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.267 0.192 25404 3580 1 12 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.541 -0.171 25404 3581 1 12 . 1 1 961 961 ASP H H 961 8.253 8.253 8.194 0.059 25404 3582 1 12 . 1 1 962 962 ILE N N 962 124.280 124.280 120.745 3.535 25404 3583 1 12 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.827 0.243 25404 3584 1 12 . 1 1 962 962 ILE C C 962 177.301 177.301 177.017 0.284 25404 3585 1 12 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.054 2.046 25404 3586 1 12 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.619 -0.849 25404 3587 1 12 . 1 1 962 962 ILE H H 962 8.600 8.600 7.817 0.783 25404 3588 1 12 . 1 1 963 963 ILE N N 963 121.368 121.368 120.710 0.658 25404 3589 1 12 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.637 0.223 25404 3590 1 12 . 1 1 963 963 ILE C C 963 179.751 179.751 177.689 2.062 25404 3591 1 12 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.381 -0.272 25404 3592 1 12 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.484 1.006 25404 3593 1 12 . 1 1 963 963 ILE H H 963 7.377 7.377 7.596 -0.219 25404 3594 1 12 . 1 1 964 964 ARG N N 964 119.627 119.627 119.059 0.568 25404 3595 1 12 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.865 0.205 25404 3596 1 12 . 1 1 964 964 ARG C C 964 179.065 179.065 178.903 0.162 25404 3597 1 12 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.532 -0.378 25404 3598 1 12 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.873 0.927 25404 3599 1 12 . 1 1 964 964 ARG H H 964 7.209 7.209 7.763 -0.553 25404 3600 1 12 . 1 1 965 965 ASP N N 965 119.847 119.847 120.911 -1.064 25404 3601 1 12 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.249 0.371 25404 3602 1 12 . 1 1 965 965 ASP C C 965 178.787 178.787 176.551 2.236 25404 3603 1 12 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.782 0.635 25404 3604 1 12 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.179 0.436 25404 3605 1 12 . 1 1 965 965 ASP H H 965 9.098 9.098 7.714 1.384 25404 3606 1 12 . 1 1 966 966 TRP N N 966 118.678 118.678 115.781 2.897 25404 3607 1 12 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.489 0.251 25404 3608 1 12 . 1 1 966 966 TRP C C 966 176.094 176.094 175.760 0.334 25404 3609 1 12 . 1 1 966 966 TRP CA C 966 56.843 56.843 57.015 -0.172 25404 3610 1 12 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.436 -0.835 25404 3611 1 12 . 1 1 966 966 TRP H H 966 9.253 9.253 7.178 2.075 25404 3612 1 12 . 1 1 967 967 ARG N N 967 116.998 116.998 113.386 3.612 25404 3613 1 12 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.976 0.054 25404 3614 1 12 . 1 1 967 967 ARG C C 967 174.965 174.965 174.908 0.057 25404 3615 1 12 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.478 -0.472 25404 3616 1 12 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.929 -0.963 25404 3617 1 12 . 1 1 967 967 ARG H H 967 7.762 7.762 7.609 0.153 25404 3618 1 12 . 1 1 968 968 LYS N N 968 117.708 117.708 117.227 0.481 25404 3619 1 12 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.588 0.052 25404 3620 1 12 . 1 1 968 968 LYS C C 968 174.258 174.258 174.564 -0.306 25404 3621 1 12 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.523 0.716 25404 3622 1 12 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.181 0.933 25404 3623 1 12 . 1 1 968 968 LYS H H 968 7.462 7.462 7.470 -0.008 25404 3624 1 12 . 1 1 969 969 GLU N N 969 123.352 123.352 121.164 2.188 25404 3625 1 12 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.225 -0.058 25404 3626 1 12 . 1 1 969 969 GLU C C 969 175.962 175.962 176.005 -0.043 25404 3627 1 12 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.920 0.226 25404 3628 1 12 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.019 -0.519 25404 3629 1 12 . 1 1 969 969 GLU H H 969 8.559 8.559 8.545 0.014 25404 3630 1 12 . 1 1 970 970 MET N N 970 121.247 121.247 121.170 0.077 25404 3631 1 12 . 1 1 970 970 MET HA H 970 4.920 4.920 4.677 0.243 25404 3632 1 12 . 1 1 970 970 MET C C 970 176.884 176.884 175.117 1.767 25404 3633 1 12 . 1 1 970 970 MET CA C 970 55.546 55.546 54.212 1.334 25404 3634 1 12 . 1 1 970 970 MET CB C 970 36.772 36.772 34.846 1.926 25404 3635 1 12 . 1 1 970 970 MET H H 970 7.314 7.314 8.090 -0.776 25404 3636 1 12 . 1 1 971 971 THR N N 971 118.284 118.284 110.377 7.907 25404 3637 1 12 . 1 1 971 971 THR HA H 971 4.740 4.740 4.939 -0.199 25404 3638 1 12 . 1 1 971 971 THR C C 971 175.112 175.112 174.874 0.238 25404 3639 1 12 . 1 1 971 971 THR CA C 971 61.582 61.582 60.717 0.865 25404 3640 1 12 . 1 1 971 971 THR CB C 971 71.203 71.203 70.424 0.779 25404 3641 1 12 . 1 1 971 971 THR H H 971 9.129 9.129 8.265 0.864 25404 3642 1 12 . 1 1 972 972 VAL N N 972 121.240 121.240 121.747 -0.507 25404 3643 1 12 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.126 -0.396 25404 3644 1 12 . 1 1 972 972 VAL C C 972 177.014 177.014 177.702 -0.688 25404 3645 1 12 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.850 1.260 25404 3646 1 12 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.049 0.251 25404 3647 1 12 . 1 1 972 972 VAL H H 972 8.745 8.745 8.288 0.457 25404 3648 1 12 . 1 1 973 973 GLN N N 973 117.672 117.672 117.939 -0.267 25404 3649 1 12 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.960 -0.130 25404 3650 1 12 . 1 1 973 973 GLN C C 973 178.206 178.206 178.587 -0.381 25404 3651 1 12 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.359 0.121 25404 3652 1 12 . 1 1 973 973 GLN CB C 973 28.920 28.920 27.698 1.222 25404 3653 1 12 . 1 1 973 973 GLN H H 973 8.179 8.179 8.570 -0.391 25404 3654 1 12 . 1 1 974 974 GLN N N 974 118.023 118.023 119.097 -1.074 25404 3655 1 12 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.024 0.066 25404 3656 1 12 . 1 1 974 974 GLN C C 974 179.457 179.457 178.417 1.040 25404 3657 1 12 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.417 0.706 25404 3658 1 12 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.099 1.051 25404 3659 1 12 . 1 1 974 974 GLN H H 974 7.797 7.797 7.673 0.124 25404 3660 1 12 . 1 1 975 975 PHE N N 975 121.801 121.801 121.950 -0.149 25404 3661 1 12 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.162 0.188 25404 3662 1 12 . 1 1 975 975 PHE C C 975 175.313 175.313 176.949 -1.636 25404 3663 1 12 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.566 0.407 25404 3664 1 12 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.976 0.739 25404 3665 1 12 . 1 1 975 975 PHE H H 975 8.290 8.290 7.797 0.493 25404 3666 1 12 . 1 1 976 976 LEU N N 976 119.703 119.703 120.227 -0.524 25404 3667 1 12 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.535 -0.011 25404 3668 1 12 . 1 1 976 976 LEU C C 976 180.091 180.091 178.612 1.479 25404 3669 1 12 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.333 0.681 25404 3670 1 12 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.512 0.915 25404 3671 1 12 . 1 1 976 976 LEU H H 976 8.538 8.538 8.382 0.156 25404 3672 1 12 . 1 1 977 977 ASP N N 977 119.392 119.392 119.455 -0.063 25404 3673 1 12 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.276 0.034 25404 3674 1 12 . 1 1 977 977 ASP C C 977 178.035 178.035 178.331 -0.296 25404 3675 1 12 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.104 0.340 25404 3676 1 12 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.952 0.150 25404 3677 1 12 . 1 1 977 977 ASP H H 977 8.274 8.274 7.952 0.322 25404 3678 1 12 . 1 1 978 978 LEU N N 978 122.575 122.575 120.919 1.656 25404 3679 1 12 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.925 0.025 25404 3680 1 12 . 1 1 978 978 LEU C C 978 176.975 176.975 177.931 -0.956 25404 3681 1 12 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.719 0.671 25404 3682 1 12 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.706 0.393 25404 3683 1 12 . 1 1 978 978 LEU H H 978 7.648 7.648 7.857 -0.209 25404 3684 1 12 . 1 1 979 979 LYS N N 979 118.441 118.441 117.792 0.649 25404 3685 1 12 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.639 -0.459 25404 3686 1 12 . 1 1 979 979 LYS C C 979 177.972 177.972 178.468 -0.496 25404 3687 1 12 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.379 0.781 25404 3688 1 12 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.376 1.224 25404 3689 1 12 . 1 1 979 979 LYS H H 979 7.958 7.958 7.975 -0.017 25404 3690 1 12 . 1 1 980 980 GLU N N 980 117.008 117.008 120.890 -3.882 25404 3691 1 12 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.880 0.080 25404 3692 1 12 . 1 1 980 980 GLU C C 980 180.050 180.050 179.002 1.048 25404 3693 1 12 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.571 0.087 25404 3694 1 12 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.567 0.117 25404 3695 1 12 . 1 1 980 980 GLU H H 980 7.994 7.994 7.925 0.069 25404 3696 1 12 . 1 1 981 981 ARG N N 981 119.530 119.530 118.417 1.113 25404 3697 1 12 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.048 0.132 25404 3698 1 12 . 1 1 981 981 ARG C C 981 179.556 179.556 178.907 0.649 25404 3699 1 12 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.359 -1.429 25404 3700 1 12 . 1 1 981 981 ARG CB C 981 29.750 29.750 29.716 0.034 25404 3701 1 12 . 1 1 981 981 ARG H H 981 8.159 8.159 7.951 0.208 25404 3702 1 12 . 1 1 982 982 ALA N N 982 126.163 126.163 122.712 3.451 25404 3703 1 12 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.218 0.032 25404 3704 1 12 . 1 1 982 982 ALA C C 982 182.415 182.415 180.506 1.909 25404 3705 1 12 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.807 1.609 25404 3706 1 12 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.559 1.051 25404 3707 1 12 . 1 1 982 982 ALA H H 982 8.947 8.947 8.199 0.748 25404 3708 1 12 . 1 1 983 983 LEU N N 983 119.414 119.414 119.437 -0.023 25404 3709 1 12 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.159 0.271 25404 3710 1 12 . 1 1 983 983 LEU C C 983 178.652 178.652 178.889 -0.237 25404 3711 1 12 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.107 0.469 25404 3712 1 12 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.314 0.056 25404 3713 1 12 . 1 1 983 983 LEU H H 983 8.638 8.638 8.408 0.230 25404 3714 1 12 . 1 1 984 984 SER N N 984 113.275 113.275 113.408 -0.133 25404 3715 1 12 . 1 1 984 984 SER HA H 984 4.690 4.690 4.437 0.253 25404 3716 1 12 . 1 1 984 984 SER C C 984 174.726 174.726 175.225 -0.499 25404 3717 1 12 . 1 1 984 984 SER CA C 984 59.300 59.300 58.927 0.373 25404 3718 1 12 . 1 1 984 984 SER CB C 984 64.400 64.400 63.559 0.841 25404 3719 1 12 . 1 1 984 984 SER H H 984 7.736 7.736 7.811 -0.075 25404 3720 1 12 . 1 1 985 985 GLY N N 985 108.346 108.346 109.276 -0.930 25404 3721 1 12 . 1 1 985 985 GLY C C 985 174.740 174.740 173.707 1.033 25404 3722 1 12 . 1 1 985 985 GLY CA C 985 45.763 45.763 45.179 0.584 25404 3723 1 12 . 1 1 985 985 GLY H H 985 7.880 7.880 7.915 -0.035 25404 3724 1 12 . 1 1 986 986 ALA N N 986 123.024 123.024 122.082 0.942 25404 3725 1 12 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.340 0.050 25404 3726 1 12 . 1 1 986 986 ALA C C 986 177.887 177.887 177.341 0.546 25404 3727 1 12 . 1 1 986 986 ALA CA C 986 53.814 53.814 52.100 1.714 25404 3728 1 12 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.832 0.568 25404 3729 1 12 . 1 1 986 986 ALA H H 986 7.790 7.790 7.708 0.082 25404 3730 1 12 . 1 1 987 987 SER N N 987 111.887 111.887 116.120 -4.233 25404 3731 1 12 . 1 1 987 987 SER HA H 987 4.730 4.730 4.388 0.342 25404 3732 1 12 . 1 1 987 987 SER C C 987 174.429 174.429 173.708 0.721 25404 3733 1 12 . 1 1 987 987 SER CA C 987 57.629 57.629 58.717 -1.088 25404 3734 1 12 . 1 1 987 987 SER CB C 987 64.309 64.309 63.525 0.784 25404 3735 1 12 . 1 1 987 987 SER H H 987 8.810 8.810 8.774 0.036 25404 3736 1 12 . 1 1 988 988 ASP N N 988 120.053 120.053 122.616 -2.563 25404 3737 1 12 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.603 0.332 25404 3738 1 12 . 1 1 988 988 ASP C C 988 173.389 173.389 176.251 -2.862 25404 3739 1 12 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.226 -0.813 25404 3740 1 12 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.824 -0.664 25404 3741 1 12 . 1 1 988 988 ASP H H 988 7.933 7.933 7.815 0.118 25404 3742 1 12 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.266 0.054 25404 3743 1 12 . 1 1 989 989 PRO C C 989 179.464 179.464 177.686 1.778 25404 3744 1 12 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.654 1.102 25404 3745 1 12 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.987 0.655 25404 3746 1 12 . 1 1 990 990 ASP N N 990 118.727 118.727 117.304 1.423 25404 3747 1 12 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.572 0.015 25404 3748 1 12 . 1 1 990 990 ASP C C 990 178.185 178.185 178.851 -0.666 25404 3749 1 12 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.350 0.777 25404 3750 1 12 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.689 0.501 25404 3751 1 12 . 1 1 990 990 ASP H H 990 8.418 8.418 8.816 -0.398 25404 3752 1 12 . 1 1 991 991 SER N N 991 121.204 121.204 116.135 5.069 25404 3753 1 12 . 1 1 991 991 SER HA H 991 4.278 4.278 4.394 -0.116 25404 3754 1 12 . 1 1 991 991 SER CA C 991 64.100 64.100 61.313 2.787 25404 3755 1 12 . 1 1 991 991 SER CB C 991 62.832 62.832 63.147 -0.315 25404 3756 1 12 . 1 1 991 991 SER H H 991 8.093 8.093 7.746 0.347 25404 3757 1 12 . 1 1 992 992 GLN N N 992 119.137 119.137 120.613 -1.476 25404 3758 1 12 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.140 0.144 25404 3759 1 12 . 1 1 992 992 GLN C C 992 179.621 179.621 178.687 0.934 25404 3760 1 12 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.659 1.011 25404 3761 1 12 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.329 0.401 25404 3762 1 12 . 1 1 992 992 GLN H H 992 8.131 8.131 7.845 0.286 25404 3763 1 12 . 1 1 993 993 ARG N N 993 122.037 122.037 119.900 2.137 25404 3764 1 12 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.182 -0.008 25404 3765 1 12 . 1 1 993 993 ARG C C 993 179.465 179.465 178.697 0.768 25404 3766 1 12 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.200 0.692 25404 3767 1 12 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.159 0.133 25404 3768 1 12 . 1 1 993 993 ARG H H 993 8.345 8.345 8.323 0.022 25404 3769 1 12 . 1 1 994 994 TYR N N 994 122.855 122.855 121.950 0.905 25404 3770 1 12 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.467 0.133 25404 3771 1 12 . 1 1 994 994 TYR C C 994 176.468 176.468 177.559 -1.091 25404 3772 1 12 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.385 2.293 25404 3773 1 12 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.279 1.021 25404 3774 1 12 . 1 1 994 994 TYR H H 994 9.285 9.285 8.466 0.819 25404 3775 1 12 . 1 1 995 995 ASN N N 995 117.831 117.831 118.041 -0.210 25404 3776 1 12 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.104 0.445 25404 3777 1 12 . 1 1 995 995 ASN C C 995 178.763 178.763 177.624 1.139 25404 3778 1 12 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.076 0.866 25404 3779 1 12 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.440 -0.000 25404 3780 1 12 . 1 1 995 995 ASN H H 995 8.678 8.678 8.371 0.307 25404 3781 1 12 . 1 1 996 996 ALA N N 996 122.157 122.157 124.197 -2.040 25404 3782 1 12 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.123 0.247 25404 3783 1 12 . 1 1 996 996 ALA C C 996 179.848 179.848 178.880 0.968 25404 3784 1 12 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.882 0.436 25404 3785 1 12 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.561 0.129 25404 3786 1 12 . 1 1 996 996 ALA H H 996 7.984 7.984 8.189 -0.205 25404 3787 1 12 . 1 1 997 997 TRP N N 997 123.610 123.610 121.425 2.185 25404 3788 1 12 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.201 0.180 25404 3789 1 12 . 1 1 997 997 TRP C C 997 178.383 178.383 177.740 0.643 25404 3790 1 12 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.866 0.316 25404 3791 1 12 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.023 0.276 25404 3792 1 12 . 1 1 997 997 TRP H H 997 8.760 8.760 8.430 0.330 25404 3793 1 12 . 1 1 998 998 LEU N N 998 120.247 120.247 118.114 2.133 25404 3794 1 12 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.320 0.250 25404 3795 1 12 . 1 1 998 998 LEU C C 998 180.003 180.003 178.655 1.348 25404 3796 1 12 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.872 0.051 25404 3797 1 12 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.293 1.307 25404 3798 1 12 . 1 1 998 998 LEU H H 998 9.030 9.030 7.964 1.066 25404 3799 1 12 . 1 1 999 999 GLU N N 999 118.449 118.449 120.499 -2.050 25404 3800 1 12 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.929 0.137 25404 3801 1 12 . 1 1 999 999 GLU C C 999 178.785 178.785 179.051 -0.266 25404 3802 1 12 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.602 -0.129 25404 3803 1 12 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.569 0.291 25404 3804 1 12 . 1 1 999 999 GLU H H 999 7.574 7.574 7.696 -0.122 25404 3805 1 13 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.434 -0.034 25404 3806 1 13 . 1 1 946 946 ALA C C 946 177.730 177.730 177.643 0.087 25404 3807 1 13 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.056 0.889 25404 3808 1 13 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.226 0.544 25404 3809 1 13 . 1 1 946 946 ALA H H 946 8.480 8.480 7.894 0.586 25404 3810 1 13 . 1 1 947 947 MET N N 947 119.619 119.619 118.103 1.516 25404 3811 1 13 . 1 1 947 947 MET HA H 947 4.520 4.520 4.002 0.518 25404 3812 1 13 . 1 1 947 947 MET C C 947 175.878 175.878 175.366 0.512 25404 3813 1 13 . 1 1 947 947 MET CA C 947 55.676 55.676 55.700 -0.024 25404 3814 1 13 . 1 1 947 947 MET CB C 947 33.450 33.450 32.126 1.324 25404 3815 1 13 . 1 1 947 947 MET H H 947 8.468 8.468 8.204 0.264 25404 3816 1 13 . 1 1 948 948 ALA N N 948 125.737 125.737 120.810 4.927 25404 3817 1 13 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.162 0.005 25404 3818 1 13 . 1 1 948 948 ALA C C 948 177.203 177.203 177.702 -0.499 25404 3819 1 13 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.094 -0.284 25404 3820 1 13 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.019 0.503 25404 3821 1 13 . 1 1 948 948 ALA H H 948 8.432 8.432 7.903 0.529 25404 3822 1 13 . 1 1 949 949 ILE N N 949 119.982 119.982 115.158 4.824 25404 3823 1 13 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.105 0.095 25404 3824 1 13 . 1 1 949 949 ILE C C 949 175.237 175.237 175.943 -0.706 25404 3825 1 13 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.405 0.995 25404 3826 1 13 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.727 0.733 25404 3827 1 13 . 1 1 949 949 ILE H H 949 8.049 8.049 7.422 0.627 25404 3828 1 13 . 1 1 950 950 ALA N N 950 127.463 127.463 127.403 0.060 25404 3829 1 13 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.292 0.218 25404 3830 1 13 . 1 1 950 950 ALA C C 950 176.693 176.693 177.471 -0.778 25404 3831 1 13 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.114 -0.023 25404 3832 1 13 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.864 1.196 25404 3833 1 13 . 1 1 950 950 ALA H H 950 8.286 8.286 8.321 -0.035 25404 3834 1 13 . 1 1 951 951 LEU N N 951 120.899 120.899 120.446 0.453 25404 3835 1 13 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.331 0.269 25404 3836 1 13 . 1 1 951 951 LEU C C 951 177.680 177.680 176.480 1.200 25404 3837 1 13 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.020 -0.419 25404 3838 1 13 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.697 1.503 25404 3839 1 13 . 1 1 951 951 LEU H H 951 8.098 8.098 7.468 0.630 25404 3840 1 13 . 1 1 952 952 ARG N N 952 122.793 122.793 121.687 1.106 25404 3841 1 13 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.367 0.190 25404 3842 1 13 . 1 1 952 952 ARG C C 952 177.543 177.543 176.828 0.715 25404 3843 1 13 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.457 0.819 25404 3844 1 13 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.253 1.577 25404 3845 1 13 . 1 1 952 952 ARG H H 952 9.312 9.312 8.097 1.215 25404 3846 1 13 . 1 1 953 953 ASP N N 953 122.129 122.129 121.306 0.823 25404 3847 1 13 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.401 0.089 25404 3848 1 13 . 1 1 953 953 ASP C C 953 177.472 177.472 178.042 -0.570 25404 3849 1 13 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.061 0.025 25404 3850 1 13 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.519 -0.039 25404 3851 1 13 . 1 1 953 953 ASP H H 953 8.959 8.959 8.834 0.125 25404 3852 1 13 . 1 1 954 954 ASP N N 954 116.531 116.531 118.856 -2.325 25404 3853 1 13 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.531 0.099 25404 3854 1 13 . 1 1 954 954 ASP C C 954 178.707 178.707 178.888 -0.181 25404 3855 1 13 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.198 -0.297 25404 3856 1 13 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.124 -0.024 25404 3857 1 13 . 1 1 954 954 ASP H H 954 8.776 8.776 8.632 0.144 25404 3858 1 13 . 1 1 955 955 GLU N N 955 121.514 121.514 120.415 1.099 25404 3859 1 13 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.273 0.277 25404 3860 1 13 . 1 1 955 955 GLU C C 955 177.302 177.302 179.034 -1.732 25404 3861 1 13 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.053 0.266 25404 3862 1 13 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.283 2.557 25404 3863 1 13 . 1 1 955 955 GLU H H 955 7.692 7.692 8.610 -0.918 25404 3864 1 13 . 1 1 956 956 TYR N N 956 120.780 120.780 121.530 -0.750 25404 3865 1 13 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.225 0.065 25404 3866 1 13 . 1 1 956 956 TYR C C 956 177.098 177.098 177.581 -0.483 25404 3867 1 13 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.864 1.086 25404 3868 1 13 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.532 -0.120 25404 3869 1 13 . 1 1 956 956 TYR H H 956 8.425 8.425 8.827 -0.402 25404 3870 1 13 . 1 1 957 957 ASP N N 957 118.102 118.102 118.745 -0.643 25404 3871 1 13 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.193 0.177 25404 3872 1 13 . 1 1 957 957 ASP C C 957 177.919 177.919 178.225 -0.306 25404 3873 1 13 . 1 1 957 957 ASP CA C 957 57.654 57.654 56.950 0.704 25404 3874 1 13 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.525 0.006 25404 3875 1 13 . 1 1 957 957 ASP H H 957 8.169 8.169 7.937 0.232 25404 3876 1 13 . 1 1 958 958 GLU N N 958 121.150 121.150 121.372 -0.222 25404 3877 1 13 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.154 -0.094 25404 3878 1 13 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.235 1.875 25404 3879 1 13 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.838 0.992 25404 3880 1 13 . 1 1 958 958 GLU H H 958 7.782 7.782 7.621 0.161 25404 3881 1 13 . 1 1 959 959 TRP N N 959 120.489 120.489 121.858 -1.369 25404 3882 1 13 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.584 -0.215 25404 3883 1 13 . 1 1 959 959 TRP C C 959 176.651 176.651 178.095 -1.444 25404 3884 1 13 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.150 -2.359 25404 3885 1 13 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.167 -1.397 25404 3886 1 13 . 1 1 959 959 TRP H H 959 8.089 8.089 8.375 -0.286 25404 3887 1 13 . 1 1 960 960 GLN N N 960 113.509 113.509 116.782 -3.273 25404 3888 1 13 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.236 -0.116 25404 3889 1 13 . 1 1 960 960 GLN C C 960 179.089 179.089 178.486 0.603 25404 3890 1 13 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.486 -0.154 25404 3891 1 13 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.465 1.005 25404 3892 1 13 . 1 1 960 960 GLN H H 960 7.946 7.946 7.849 0.097 25404 3893 1 13 . 1 1 961 961 ASP N N 961 120.534 120.534 120.778 -0.244 25404 3894 1 13 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.315 0.205 25404 3895 1 13 . 1 1 961 961 ASP C C 961 177.660 177.660 178.616 -0.956 25404 3896 1 13 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.174 0.285 25404 3897 1 13 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.428 -0.058 25404 3898 1 13 . 1 1 961 961 ASP H H 961 8.253 8.253 8.097 0.156 25404 3899 1 13 . 1 1 962 962 ILE N N 962 124.280 124.280 120.780 3.500 25404 3900 1 13 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.889 0.181 25404 3901 1 13 . 1 1 962 962 ILE C C 962 177.301 177.301 176.848 0.453 25404 3902 1 13 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.508 2.592 25404 3903 1 13 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.800 -1.030 25404 3904 1 13 . 1 1 962 962 ILE H H 962 8.600 8.600 7.649 0.951 25404 3905 1 13 . 1 1 963 963 ILE N N 963 121.368 121.368 120.894 0.474 25404 3906 1 13 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.581 0.279 25404 3907 1 13 . 1 1 963 963 ILE C C 963 179.751 179.751 177.798 1.953 25404 3908 1 13 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.324 -0.215 25404 3909 1 13 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.433 1.057 25404 3910 1 13 . 1 1 963 963 ILE H H 963 7.377 7.377 7.335 0.042 25404 3911 1 13 . 1 1 964 964 ARG N N 964 119.627 119.627 118.939 0.688 25404 3912 1 13 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.841 0.229 25404 3913 1 13 . 1 1 964 964 ARG C C 964 179.065 179.065 178.966 0.099 25404 3914 1 13 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.431 -0.277 25404 3915 1 13 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.837 0.963 25404 3916 1 13 . 1 1 964 964 ARG H H 964 7.209 7.209 7.588 -0.379 25404 3917 1 13 . 1 1 965 965 ASP N N 965 119.847 119.847 120.824 -0.977 25404 3918 1 13 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.238 0.382 25404 3919 1 13 . 1 1 965 965 ASP C C 965 178.787 178.787 176.912 1.875 25404 3920 1 13 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.153 1.264 25404 3921 1 13 . 1 1 965 965 ASP CB C 965 40.615 40.615 39.877 0.738 25404 3922 1 13 . 1 1 965 965 ASP H H 965 9.098 9.098 7.670 1.428 25404 3923 1 13 . 1 1 966 966 TRP N N 966 118.678 118.678 117.110 1.568 25404 3924 1 13 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.557 0.183 25404 3925 1 13 . 1 1 966 966 TRP C C 966 176.094 176.094 176.212 -0.118 25404 3926 1 13 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.542 0.301 25404 3927 1 13 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.645 -1.045 25404 3928 1 13 . 1 1 966 966 TRP H H 966 9.253 9.253 7.221 2.032 25404 3929 1 13 . 1 1 967 967 ARG N N 967 116.998 116.998 112.953 4.045 25404 3930 1 13 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.936 0.094 25404 3931 1 13 . 1 1 967 967 ARG C C 967 174.965 174.965 174.826 0.139 25404 3932 1 13 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.599 -0.593 25404 3933 1 13 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.791 -0.825 25404 3934 1 13 . 1 1 967 967 ARG H H 967 7.762 7.762 7.565 0.197 25404 3935 1 13 . 1 1 968 968 LYS N N 968 117.708 117.708 117.517 0.191 25404 3936 1 13 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.592 0.048 25404 3937 1 13 . 1 1 968 968 LYS C C 968 174.258 174.258 174.583 -0.325 25404 3938 1 13 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.549 0.690 25404 3939 1 13 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.385 0.729 25404 3940 1 13 . 1 1 968 968 LYS H H 968 7.462 7.462 7.508 -0.046 25404 3941 1 13 . 1 1 969 969 GLU N N 969 123.352 123.352 121.104 2.248 25404 3942 1 13 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.262 -0.095 25404 3943 1 13 . 1 1 969 969 GLU C C 969 175.962 175.962 175.750 0.212 25404 3944 1 13 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.359 0.787 25404 3945 1 13 . 1 1 969 969 GLU CB C 969 29.500 29.500 29.988 -0.488 25404 3946 1 13 . 1 1 969 969 GLU H H 969 8.559 8.559 8.515 0.044 25404 3947 1 13 . 1 1 970 970 MET N N 970 121.247 121.247 119.534 1.713 25404 3948 1 13 . 1 1 970 970 MET HA H 970 4.920 4.920 4.762 0.158 25404 3949 1 13 . 1 1 970 970 MET C C 970 176.884 176.884 174.932 1.952 25404 3950 1 13 . 1 1 970 970 MET CA C 970 55.546 55.546 54.108 1.438 25404 3951 1 13 . 1 1 970 970 MET CB C 970 36.772 36.772 35.500 1.272 25404 3952 1 13 . 1 1 970 970 MET H H 970 7.314 7.314 7.943 -0.629 25404 3953 1 13 . 1 1 971 971 THR N N 971 118.284 118.284 110.515 7.769 25404 3954 1 13 . 1 1 971 971 THR HA H 971 4.740 4.740 4.762 -0.022 25404 3955 1 13 . 1 1 971 971 THR C C 971 175.112 175.112 175.396 -0.284 25404 3956 1 13 . 1 1 971 971 THR CA C 971 61.582 61.582 60.992 0.590 25404 3957 1 13 . 1 1 971 971 THR CB C 971 71.203 71.203 69.979 1.224 25404 3958 1 13 . 1 1 971 971 THR H H 971 9.129 9.129 8.332 0.797 25404 3959 1 13 . 1 1 972 972 VAL N N 972 121.240 121.240 122.548 -1.308 25404 3960 1 13 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.244 -0.514 25404 3961 1 13 . 1 1 972 972 VAL C C 972 177.014 177.014 178.246 -1.232 25404 3962 1 13 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.450 1.661 25404 3963 1 13 . 1 1 972 972 VAL CB C 972 31.300 31.300 30.991 0.309 25404 3964 1 13 . 1 1 972 972 VAL H H 972 8.745 8.745 8.398 0.347 25404 3965 1 13 . 1 1 973 973 GLN N N 973 117.672 117.672 117.956 -0.284 25404 3966 1 13 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.976 -0.146 25404 3967 1 13 . 1 1 973 973 GLN C C 973 178.206 178.206 178.611 -0.405 25404 3968 1 13 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.304 0.176 25404 3969 1 13 . 1 1 973 973 GLN CB C 973 28.920 28.920 27.769 1.151 25404 3970 1 13 . 1 1 973 973 GLN H H 973 8.179 8.179 8.564 -0.385 25404 3971 1 13 . 1 1 974 974 GLN N N 974 118.023 118.023 118.995 -0.972 25404 3972 1 13 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.058 0.032 25404 3973 1 13 . 1 1 974 974 GLN C C 974 179.457 179.457 178.395 1.062 25404 3974 1 13 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.767 0.356 25404 3975 1 13 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.086 1.064 25404 3976 1 13 . 1 1 974 974 GLN H H 974 7.797 7.797 7.812 -0.015 25404 3977 1 13 . 1 1 975 975 PHE N N 975 121.801 121.801 120.554 1.247 25404 3978 1 13 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.241 0.109 25404 3979 1 13 . 1 1 975 975 PHE C C 975 175.313 175.313 177.261 -1.948 25404 3980 1 13 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.988 -0.015 25404 3981 1 13 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.876 0.839 25404 3982 1 13 . 1 1 975 975 PHE H H 975 8.290 8.290 7.478 0.812 25404 3983 1 13 . 1 1 976 976 LEU N N 976 119.703 119.703 119.645 0.058 25404 3984 1 13 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.641 -0.117 25404 3985 1 13 . 1 1 976 976 LEU C C 976 180.091 180.091 178.532 1.559 25404 3986 1 13 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.537 -0.523 25404 3987 1 13 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.034 0.393 25404 3988 1 13 . 1 1 976 976 LEU H H 976 8.538 8.538 8.324 0.214 25404 3989 1 13 . 1 1 977 977 ASP N N 977 119.392 119.392 119.603 -0.211 25404 3990 1 13 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.340 -0.030 25404 3991 1 13 . 1 1 977 977 ASP C C 977 178.035 178.035 178.515 -0.480 25404 3992 1 13 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.715 0.729 25404 3993 1 13 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.809 0.293 25404 3994 1 13 . 1 1 977 977 ASP H H 977 8.274 8.274 8.040 0.234 25404 3995 1 13 . 1 1 978 978 LEU N N 978 122.575 122.575 121.046 1.529 25404 3996 1 13 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.922 0.028 25404 3997 1 13 . 1 1 978 978 LEU C C 978 176.975 176.975 177.857 -0.882 25404 3998 1 13 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.667 0.723 25404 3999 1 13 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.695 0.405 25404 4000 1 13 . 1 1 978 978 LEU H H 978 7.648 7.648 7.799 -0.151 25404 4001 1 13 . 1 1 979 979 LYS N N 979 118.441 118.441 118.214 0.227 25404 4002 1 13 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.525 -0.345 25404 4003 1 13 . 1 1 979 979 LYS C C 979 177.972 177.972 178.132 -0.160 25404 4004 1 13 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.394 0.766 25404 4005 1 13 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.389 1.211 25404 4006 1 13 . 1 1 979 979 LYS H H 979 7.958 7.958 7.789 0.169 25404 4007 1 13 . 1 1 980 980 GLU N N 980 117.008 117.008 120.674 -3.666 25404 4008 1 13 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.895 0.065 25404 4009 1 13 . 1 1 980 980 GLU C C 980 180.050 180.050 179.141 0.909 25404 4010 1 13 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.630 0.028 25404 4011 1 13 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.450 0.234 25404 4012 1 13 . 1 1 980 980 GLU H H 980 7.994 7.994 8.192 -0.198 25404 4013 1 13 . 1 1 981 981 ARG N N 981 119.530 119.530 118.076 1.454 25404 4014 1 13 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.057 0.123 25404 4015 1 13 . 1 1 981 981 ARG C C 981 179.556 179.556 178.834 0.722 25404 4016 1 13 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.404 -1.474 25404 4017 1 13 . 1 1 981 981 ARG CB C 981 29.750 29.750 29.737 0.013 25404 4018 1 13 . 1 1 981 981 ARG H H 981 8.159 8.159 7.914 0.245 25404 4019 1 13 . 1 1 982 982 ALA N N 982 126.163 126.163 122.932 3.231 25404 4020 1 13 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.214 0.036 25404 4021 1 13 . 1 1 982 982 ALA C C 982 182.415 182.415 180.661 1.754 25404 4022 1 13 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.775 1.642 25404 4023 1 13 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.557 1.053 25404 4024 1 13 . 1 1 982 982 ALA H H 982 8.947 8.947 7.969 0.978 25404 4025 1 13 . 1 1 983 983 LEU N N 983 119.414 119.414 119.442 -0.028 25404 4026 1 13 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.191 0.239 25404 4027 1 13 . 1 1 983 983 LEU C C 983 178.652 178.652 178.924 -0.272 25404 4028 1 13 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.387 0.189 25404 4029 1 13 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.725 -0.355 25404 4030 1 13 . 1 1 983 983 LEU H H 983 8.638 8.638 8.838 -0.200 25404 4031 1 13 . 1 1 984 984 SER N N 984 113.275 113.275 113.453 -0.178 25404 4032 1 13 . 1 1 984 984 SER HA H 984 4.690 4.690 4.429 0.261 25404 4033 1 13 . 1 1 984 984 SER C C 984 174.726 174.726 175.423 -0.697 25404 4034 1 13 . 1 1 984 984 SER CA C 984 59.300 59.300 58.489 0.811 25404 4035 1 13 . 1 1 984 984 SER CB C 984 64.400 64.400 63.486 0.914 25404 4036 1 13 . 1 1 984 984 SER H H 984 7.736 7.736 7.885 -0.149 25404 4037 1 13 . 1 1 985 985 GLY N N 985 108.346 108.346 109.142 -0.796 25404 4038 1 13 . 1 1 985 985 GLY C C 985 174.740 174.740 173.624 1.116 25404 4039 1 13 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.856 0.907 25404 4040 1 13 . 1 1 985 985 GLY H H 985 7.880 7.880 7.836 0.044 25404 4041 1 13 . 1 1 986 986 ALA N N 986 123.024 123.024 121.251 1.773 25404 4042 1 13 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.363 0.027 25404 4043 1 13 . 1 1 986 986 ALA C C 986 177.887 177.887 176.459 1.428 25404 4044 1 13 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.751 2.063 25404 4045 1 13 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.892 0.508 25404 4046 1 13 . 1 1 986 986 ALA H H 986 7.790 7.790 8.041 -0.251 25404 4047 1 13 . 1 1 987 987 SER N N 987 111.887 111.887 115.547 -3.660 25404 4048 1 13 . 1 1 987 987 SER HA H 987 4.730 4.730 4.415 0.315 25404 4049 1 13 . 1 1 987 987 SER C C 987 174.429 174.429 174.010 0.419 25404 4050 1 13 . 1 1 987 987 SER CA C 987 57.629 57.629 58.409 -0.780 25404 4051 1 13 . 1 1 987 987 SER CB C 987 64.309 64.309 63.791 0.518 25404 4052 1 13 . 1 1 987 987 SER H H 987 8.810 8.810 8.389 0.421 25404 4053 1 13 . 1 1 988 988 ASP N N 988 120.053 120.053 122.706 -2.653 25404 4054 1 13 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.581 0.354 25404 4055 1 13 . 1 1 988 988 ASP C C 988 173.389 173.389 176.045 -2.656 25404 4056 1 13 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.539 -1.126 25404 4057 1 13 . 1 1 988 988 ASP CB C 988 40.160 40.160 41.040 -0.880 25404 4058 1 13 . 1 1 988 988 ASP H H 988 7.933 7.933 7.734 0.199 25404 4059 1 13 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.241 0.079 25404 4060 1 13 . 1 1 989 989 PRO C C 989 179.464 179.464 177.881 1.583 25404 4061 1 13 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.695 1.061 25404 4062 1 13 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.971 0.671 25404 4063 1 13 . 1 1 990 990 ASP N N 990 118.727 118.727 117.426 1.301 25404 4064 1 13 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.468 0.119 25404 4065 1 13 . 1 1 990 990 ASP C C 990 178.185 178.185 178.783 -0.598 25404 4066 1 13 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.436 0.691 25404 4067 1 13 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.880 0.310 25404 4068 1 13 . 1 1 990 990 ASP H H 990 8.418 8.418 8.740 -0.322 25404 4069 1 13 . 1 1 991 991 SER N N 991 121.204 121.204 116.139 5.065 25404 4070 1 13 . 1 1 991 991 SER HA H 991 4.278 4.278 4.297 -0.019 25404 4071 1 13 . 1 1 991 991 SER CA C 991 64.100 64.100 61.893 2.207 25404 4072 1 13 . 1 1 991 991 SER CB C 991 62.832 62.832 63.236 -0.404 25404 4073 1 13 . 1 1 991 991 SER H H 991 8.093 8.093 7.692 0.401 25404 4074 1 13 . 1 1 992 992 GLN N N 992 119.137 119.137 120.483 -1.346 25404 4075 1 13 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.094 0.190 25404 4076 1 13 . 1 1 992 992 GLN C C 992 179.621 179.621 178.756 0.865 25404 4077 1 13 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.808 0.862 25404 4078 1 13 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.218 0.512 25404 4079 1 13 . 1 1 992 992 GLN H H 992 8.131 8.131 8.149 -0.018 25404 4080 1 13 . 1 1 993 993 ARG N N 993 122.037 122.037 119.980 2.057 25404 4081 1 13 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.188 -0.014 25404 4082 1 13 . 1 1 993 993 ARG C C 993 179.465 179.465 178.682 0.783 25404 4083 1 13 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.926 0.966 25404 4084 1 13 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.972 0.320 25404 4085 1 13 . 1 1 993 993 ARG H H 993 8.345 8.345 8.285 0.060 25404 4086 1 13 . 1 1 994 994 TYR N N 994 122.855 122.855 122.180 0.675 25404 4087 1 13 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.484 0.116 25404 4088 1 13 . 1 1 994 994 TYR C C 994 176.468 176.468 177.774 -1.306 25404 4089 1 13 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.610 2.068 25404 4090 1 13 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.380 0.920 25404 4091 1 13 . 1 1 994 994 TYR H H 994 9.285 9.285 8.519 0.766 25404 4092 1 13 . 1 1 995 995 ASN N N 995 117.831 117.831 117.689 0.142 25404 4093 1 13 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.197 0.352 25404 4094 1 13 . 1 1 995 995 ASN C C 995 178.763 178.763 177.764 0.999 25404 4095 1 13 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.356 0.586 25404 4096 1 13 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.073 0.367 25404 4097 1 13 . 1 1 995 995 ASN H H 995 8.678 8.678 8.457 0.221 25404 4098 1 13 . 1 1 996 996 ALA N N 996 122.157 122.157 124.312 -2.155 25404 4099 1 13 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.148 0.222 25404 4100 1 13 . 1 1 996 996 ALA C C 996 179.848 179.848 179.139 0.709 25404 4101 1 13 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.880 0.437 25404 4102 1 13 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.591 0.099 25404 4103 1 13 . 1 1 996 996 ALA H H 996 7.984 7.984 8.260 -0.276 25404 4104 1 13 . 1 1 997 997 TRP N N 997 123.610 123.610 120.992 2.618 25404 4105 1 13 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.170 0.211 25404 4106 1 13 . 1 1 997 997 TRP C C 997 178.383 178.383 178.002 0.381 25404 4107 1 13 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.806 0.376 25404 4108 1 13 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.198 0.102 25404 4109 1 13 . 1 1 997 997 TRP H H 997 8.760 8.760 8.452 0.308 25404 4110 1 13 . 1 1 998 998 LEU N N 998 120.247 120.247 118.146 2.101 25404 4111 1 13 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.321 0.249 25404 4112 1 13 . 1 1 998 998 LEU C C 998 180.003 180.003 178.709 1.294 25404 4113 1 13 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.846 0.077 25404 4114 1 13 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.267 1.333 25404 4115 1 13 . 1 1 998 998 LEU H H 998 9.030 9.030 7.906 1.124 25404 4116 1 13 . 1 1 999 999 GLU N N 999 118.449 118.449 120.465 -2.016 25404 4117 1 13 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.930 0.136 25404 4118 1 13 . 1 1 999 999 GLU C C 999 178.785 178.785 179.110 -0.325 25404 4119 1 13 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.600 -0.127 25404 4120 1 13 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.609 0.251 25404 4121 1 13 . 1 1 999 999 GLU H H 999 7.574 7.574 7.707 -0.133 25404 4122 1 14 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.416 -0.016 25404 4123 1 14 . 1 1 946 946 ALA C C 946 177.730 177.730 178.914 -1.184 25404 4124 1 14 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.013 0.932 25404 4125 1 14 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.782 -0.012 25404 4126 1 14 . 1 1 946 946 ALA H H 946 8.480 8.480 8.328 0.152 25404 4127 1 14 . 1 1 947 947 MET N N 947 119.619 119.619 120.450 -0.831 25404 4128 1 14 . 1 1 947 947 MET HA H 947 4.520 4.520 4.261 0.259 25404 4129 1 14 . 1 1 947 947 MET C C 947 175.878 175.878 176.540 -0.662 25404 4130 1 14 . 1 1 947 947 MET CA C 947 55.676 55.676 55.910 -0.234 25404 4131 1 14 . 1 1 947 947 MET CB C 947 33.450 33.450 32.060 1.389 25404 4132 1 14 . 1 1 947 947 MET H H 947 8.468 8.468 8.432 0.036 25404 4133 1 14 . 1 1 948 948 ALA N N 948 125.737 125.737 120.888 4.849 25404 4134 1 14 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.500 -0.333 25404 4135 1 14 . 1 1 948 948 ALA C C 948 177.203 177.203 176.667 0.536 25404 4136 1 14 . 1 1 948 948 ALA CA C 948 52.810 52.810 51.761 1.049 25404 4137 1 14 . 1 1 948 948 ALA CB C 948 19.522 19.522 20.022 -0.500 25404 4138 1 14 . 1 1 948 948 ALA H H 948 8.432 8.432 7.741 0.691 25404 4139 1 14 . 1 1 949 949 ILE N N 949 119.982 119.982 120.376 -0.394 25404 4140 1 14 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.388 -0.188 25404 4141 1 14 . 1 1 949 949 ILE C C 949 175.237 175.237 177.053 -1.816 25404 4142 1 14 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.221 0.179 25404 4143 1 14 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.760 0.701 25404 4144 1 14 . 1 1 949 949 ILE H H 949 8.049 8.049 8.485 -0.436 25404 4145 1 14 . 1 1 950 950 ALA N N 950 127.463 127.463 122.464 4.999 25404 4146 1 14 . 1 1 950 950 ALA HA H 950 4.510 4.510 3.990 0.520 25404 4147 1 14 . 1 1 950 950 ALA C C 950 176.693 176.693 177.338 -0.645 25404 4148 1 14 . 1 1 950 950 ALA CA C 950 52.091 52.091 54.092 -2.001 25404 4149 1 14 . 1 1 950 950 ALA CB C 950 20.060 20.060 17.162 2.898 25404 4150 1 14 . 1 1 950 950 ALA H H 950 8.286 8.286 8.219 0.067 25404 4151 1 14 . 1 1 951 951 LEU N N 951 120.899 120.899 121.388 -0.489 25404 4152 1 14 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.357 0.243 25404 4153 1 14 . 1 1 951 951 LEU C C 951 177.680 177.680 176.678 1.002 25404 4154 1 14 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.009 -0.408 25404 4155 1 14 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.784 1.416 25404 4156 1 14 . 1 1 951 951 LEU H H 951 8.098 8.098 8.064 0.034 25404 4157 1 14 . 1 1 952 952 ARG N N 952 122.793 122.793 121.267 1.526 25404 4158 1 14 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.241 0.316 25404 4159 1 14 . 1 1 952 952 ARG C C 952 177.543 177.543 177.154 0.389 25404 4160 1 14 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.249 0.027 25404 4161 1 14 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.768 2.062 25404 4162 1 14 . 1 1 952 952 ARG H H 952 9.312 9.312 8.348 0.964 25404 4163 1 14 . 1 1 953 953 ASP N N 953 122.129 122.129 121.193 0.936 25404 4164 1 14 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.423 0.067 25404 4165 1 14 . 1 1 953 953 ASP C C 953 177.472 177.472 178.295 -0.823 25404 4166 1 14 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.542 -0.456 25404 4167 1 14 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.394 0.086 25404 4168 1 14 . 1 1 953 953 ASP H H 953 8.959 8.959 8.874 0.085 25404 4169 1 14 . 1 1 954 954 ASP N N 954 116.531 116.531 119.020 -2.489 25404 4170 1 14 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.561 0.069 25404 4171 1 14 . 1 1 954 954 ASP C C 954 178.707 178.707 178.842 -0.135 25404 4172 1 14 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.219 -0.318 25404 4173 1 14 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.348 -0.248 25404 4174 1 14 . 1 1 954 954 ASP H H 954 8.776 8.776 8.646 0.130 25404 4175 1 14 . 1 1 955 955 GLU N N 955 121.514 121.514 120.201 1.313 25404 4176 1 14 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.232 0.318 25404 4177 1 14 . 1 1 955 955 GLU C C 955 177.302 177.302 179.006 -1.704 25404 4178 1 14 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.175 0.144 25404 4179 1 14 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.332 2.508 25404 4180 1 14 . 1 1 955 955 GLU H H 955 7.692 7.692 8.585 -0.893 25404 4181 1 14 . 1 1 956 956 TYR N N 956 120.780 120.780 121.575 -0.795 25404 4182 1 14 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.242 0.048 25404 4183 1 14 . 1 1 956 956 TYR C C 956 177.098 177.098 177.311 -0.213 25404 4184 1 14 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.941 1.009 25404 4185 1 14 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.500 -0.088 25404 4186 1 14 . 1 1 956 956 TYR H H 956 8.425 8.425 9.075 -0.650 25404 4187 1 14 . 1 1 957 957 ASP N N 957 118.102 118.102 118.943 -0.841 25404 4188 1 14 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.270 0.100 25404 4189 1 14 . 1 1 957 957 ASP C C 957 177.919 177.919 178.115 -0.196 25404 4190 1 14 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.544 0.110 25404 4191 1 14 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.808 -0.277 25404 4192 1 14 . 1 1 957 957 ASP H H 957 8.169 8.169 8.247 -0.078 25404 4193 1 14 . 1 1 958 958 GLU N N 958 121.150 121.150 121.082 0.068 25404 4194 1 14 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.145 -0.085 25404 4195 1 14 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.169 1.942 25404 4196 1 14 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.816 1.014 25404 4197 1 14 . 1 1 958 958 GLU H H 958 7.782 7.782 7.699 0.083 25404 4198 1 14 . 1 1 959 959 TRP N N 959 120.489 120.489 121.882 -1.393 25404 4199 1 14 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.894 -0.525 25404 4200 1 14 . 1 1 959 959 TRP C C 959 176.651 176.651 177.928 -1.277 25404 4201 1 14 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.087 -2.296 25404 4202 1 14 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.218 -1.448 25404 4203 1 14 . 1 1 959 959 TRP H H 959 8.089 8.089 8.168 -0.079 25404 4204 1 14 . 1 1 960 960 GLN N N 960 113.509 113.509 116.954 -3.445 25404 4205 1 14 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.260 -0.140 25404 4206 1 14 . 1 1 960 960 GLN C C 960 179.089 179.089 178.551 0.538 25404 4207 1 14 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.626 -0.295 25404 4208 1 14 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.516 0.954 25404 4209 1 14 . 1 1 960 960 GLN H H 960 7.946 7.946 7.929 0.017 25404 4210 1 14 . 1 1 961 961 ASP N N 961 120.534 120.534 120.403 0.131 25404 4211 1 14 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.385 0.135 25404 4212 1 14 . 1 1 961 961 ASP C C 961 177.660 177.660 178.753 -1.093 25404 4213 1 14 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.057 0.402 25404 4214 1 14 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.451 -0.081 25404 4215 1 14 . 1 1 961 961 ASP H H 961 8.253 8.253 8.120 0.133 25404 4216 1 14 . 1 1 962 962 ILE N N 962 124.280 124.280 120.723 3.557 25404 4217 1 14 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.976 0.094 25404 4218 1 14 . 1 1 962 962 ILE C C 962 177.301 177.301 177.091 0.210 25404 4219 1 14 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.146 1.954 25404 4220 1 14 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.761 -0.992 25404 4221 1 14 . 1 1 962 962 ILE H H 962 8.600 8.600 7.762 0.838 25404 4222 1 14 . 1 1 963 963 ILE N N 963 121.368 121.368 120.731 0.637 25404 4223 1 14 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.624 0.236 25404 4224 1 14 . 1 1 963 963 ILE C C 963 179.751 179.751 177.733 2.018 25404 4225 1 14 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.383 -0.274 25404 4226 1 14 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.457 1.033 25404 4227 1 14 . 1 1 963 963 ILE H H 963 7.377 7.377 7.570 -0.193 25404 4228 1 14 . 1 1 964 964 ARG N N 964 119.627 119.627 119.266 0.361 25404 4229 1 14 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.812 0.258 25404 4230 1 14 . 1 1 964 964 ARG C C 964 179.065 179.065 178.026 1.039 25404 4231 1 14 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.626 -0.472 25404 4232 1 14 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.966 0.834 25404 4233 1 14 . 1 1 964 964 ARG H H 964 7.209 7.209 7.604 -0.395 25404 4234 1 14 . 1 1 965 965 ASP N N 965 119.847 119.847 119.785 0.062 25404 4235 1 14 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.268 0.352 25404 4236 1 14 . 1 1 965 965 ASP C C 965 178.787 178.787 177.755 1.032 25404 4237 1 14 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.519 0.898 25404 4238 1 14 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.070 0.545 25404 4239 1 14 . 1 1 965 965 ASP H H 965 9.098 9.098 7.536 1.562 25404 4240 1 14 . 1 1 966 966 TRP N N 966 118.678 118.678 116.163 2.515 25404 4241 1 14 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.609 0.131 25404 4242 1 14 . 1 1 966 966 TRP C C 966 176.094 176.094 175.416 0.678 25404 4243 1 14 . 1 1 966 966 TRP CA C 966 56.843 56.843 57.149 -0.306 25404 4244 1 14 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.583 -0.983 25404 4245 1 14 . 1 1 966 966 TRP H H 966 9.253 9.253 7.313 1.940 25404 4246 1 14 . 1 1 967 967 ARG N N 967 116.998 116.998 114.426 2.572 25404 4247 1 14 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.915 0.115 25404 4248 1 14 . 1 1 967 967 ARG C C 967 174.965 174.965 175.464 -0.499 25404 4249 1 14 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.325 -0.319 25404 4250 1 14 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.450 -0.484 25404 4251 1 14 . 1 1 967 967 ARG H H 967 7.762 7.762 7.690 0.072 25404 4252 1 14 . 1 1 968 968 LYS N N 968 117.708 117.708 116.722 0.986 25404 4253 1 14 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.584 0.056 25404 4254 1 14 . 1 1 968 968 LYS C C 968 174.258 174.258 174.268 -0.010 25404 4255 1 14 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.597 0.642 25404 4256 1 14 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.876 0.238 25404 4257 1 14 . 1 1 968 968 LYS H H 968 7.462 7.462 7.590 -0.128 25404 4258 1 14 . 1 1 969 969 GLU N N 969 123.352 123.352 120.732 2.620 25404 4259 1 14 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.276 -0.109 25404 4260 1 14 . 1 1 969 969 GLU C C 969 175.962 175.962 175.738 0.224 25404 4261 1 14 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.114 1.032 25404 4262 1 14 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.145 -0.645 25404 4263 1 14 . 1 1 969 969 GLU H H 969 8.559 8.559 8.444 0.115 25404 4264 1 14 . 1 1 970 970 MET N N 970 121.247 121.247 116.930 4.317 25404 4265 1 14 . 1 1 970 970 MET HA H 970 4.920 4.920 4.803 0.117 25404 4266 1 14 . 1 1 970 970 MET C C 970 176.884 176.884 174.966 1.918 25404 4267 1 14 . 1 1 970 970 MET CA C 970 55.546 55.546 53.482 2.064 25404 4268 1 14 . 1 1 970 970 MET CB C 970 36.772 36.772 36.066 0.706 25404 4269 1 14 . 1 1 970 970 MET H H 970 7.314 7.314 7.838 -0.524 25404 4270 1 14 . 1 1 971 971 THR N N 971 118.284 118.284 111.953 6.331 25404 4271 1 14 . 1 1 971 971 THR HA H 971 4.740 4.740 4.553 0.187 25404 4272 1 14 . 1 1 971 971 THR C C 971 175.112 175.112 175.377 -0.265 25404 4273 1 14 . 1 1 971 971 THR CA C 971 61.582 61.582 61.569 0.013 25404 4274 1 14 . 1 1 971 971 THR CB C 971 71.203 71.203 69.460 1.743 25404 4275 1 14 . 1 1 971 971 THR H H 971 9.129 9.129 8.283 0.846 25404 4276 1 14 . 1 1 972 972 VAL N N 972 121.240 121.240 121.959 -0.719 25404 4277 1 14 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.137 -0.407 25404 4278 1 14 . 1 1 972 972 VAL C C 972 177.014 177.014 177.730 -0.716 25404 4279 1 14 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.263 1.847 25404 4280 1 14 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.119 0.181 25404 4281 1 14 . 1 1 972 972 VAL H H 972 8.745 8.745 8.219 0.526 25404 4282 1 14 . 1 1 973 973 GLN N N 973 117.672 117.672 118.289 -0.617 25404 4283 1 14 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.868 -0.038 25404 4284 1 14 . 1 1 973 973 GLN C C 973 178.206 178.206 178.162 0.044 25404 4285 1 14 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.431 0.049 25404 4286 1 14 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.196 0.724 25404 4287 1 14 . 1 1 973 973 GLN H H 973 8.179 8.179 8.558 -0.379 25404 4288 1 14 . 1 1 974 974 GLN N N 974 118.023 118.023 118.146 -0.123 25404 4289 1 14 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.010 0.080 25404 4290 1 14 . 1 1 974 974 GLN C C 974 179.457 179.457 178.206 1.251 25404 4291 1 14 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.938 0.185 25404 4292 1 14 . 1 1 974 974 GLN CB C 974 29.150 29.150 27.999 1.151 25404 4293 1 14 . 1 1 974 974 GLN H H 974 7.797 7.797 7.892 -0.095 25404 4294 1 14 . 1 1 975 975 PHE N N 975 121.801 121.801 120.898 0.903 25404 4295 1 14 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.169 0.181 25404 4296 1 14 . 1 1 975 975 PHE C C 975 175.313 175.313 177.045 -1.732 25404 4297 1 14 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.016 -0.043 25404 4298 1 14 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.632 1.083 25404 4299 1 14 . 1 1 975 975 PHE H H 975 8.290 8.290 7.549 0.741 25404 4300 1 14 . 1 1 976 976 LEU N N 976 119.703 119.703 119.596 0.107 25404 4301 1 14 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.520 0.004 25404 4302 1 14 . 1 1 976 976 LEU C C 976 180.091 180.091 178.613 1.478 25404 4303 1 14 . 1 1 976 976 LEU CA C 976 58.014 58.014 59.093 -1.079 25404 4304 1 14 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.263 0.164 25404 4305 1 14 . 1 1 976 976 LEU H H 976 8.538 8.538 8.184 0.354 25404 4306 1 14 . 1 1 977 977 ASP N N 977 119.392 119.392 119.794 -0.402 25404 4307 1 14 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.354 -0.044 25404 4308 1 14 . 1 1 977 977 ASP C C 977 178.035 178.035 178.573 -0.538 25404 4309 1 14 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.607 0.837 25404 4310 1 14 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.888 0.214 25404 4311 1 14 . 1 1 977 977 ASP H H 977 8.274 8.274 8.257 0.017 25404 4312 1 14 . 1 1 978 978 LEU N N 978 122.575 122.575 121.115 1.460 25404 4313 1 14 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.987 -0.037 25404 4314 1 14 . 1 1 978 978 LEU C C 978 176.975 176.975 178.079 -1.104 25404 4315 1 14 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.667 0.723 25404 4316 1 14 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.764 0.335 25404 4317 1 14 . 1 1 978 978 LEU H H 978 7.648 7.648 7.998 -0.350 25404 4318 1 14 . 1 1 979 979 LYS N N 979 118.441 118.441 118.471 -0.030 25404 4319 1 14 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.749 -0.569 25404 4320 1 14 . 1 1 979 979 LYS C C 979 177.972 177.972 178.205 -0.233 25404 4321 1 14 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.683 0.477 25404 4322 1 14 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.383 1.217 25404 4323 1 14 . 1 1 979 979 LYS H H 979 7.958 7.958 8.063 -0.105 25404 4324 1 14 . 1 1 980 980 GLU N N 980 117.008 117.008 120.613 -3.605 25404 4325 1 14 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.926 0.034 25404 4326 1 14 . 1 1 980 980 GLU C C 980 180.050 180.050 179.106 0.944 25404 4327 1 14 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.589 0.069 25404 4328 1 14 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.420 0.264 25404 4329 1 14 . 1 1 980 980 GLU H H 980 7.994 7.994 8.123 -0.129 25404 4330 1 14 . 1 1 981 981 ARG N N 981 119.530 119.530 118.805 0.725 25404 4331 1 14 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.022 0.158 25404 4332 1 14 . 1 1 981 981 ARG C C 981 179.556 179.556 178.767 0.789 25404 4333 1 14 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.066 -2.136 25404 4334 1 14 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.188 -0.438 25404 4335 1 14 . 1 1 981 981 ARG H H 981 8.159 8.159 7.999 0.160 25404 4336 1 14 . 1 1 982 982 ALA N N 982 126.163 126.163 122.904 3.259 25404 4337 1 14 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.294 -0.044 25404 4338 1 14 . 1 1 982 982 ALA C C 982 182.415 182.415 180.550 1.865 25404 4339 1 14 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.776 1.641 25404 4340 1 14 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.785 0.825 25404 4341 1 14 . 1 1 982 982 ALA H H 982 8.947 8.947 8.160 0.787 25404 4342 1 14 . 1 1 983 983 LEU N N 983 119.414 119.414 119.569 -0.155 25404 4343 1 14 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.197 0.233 25404 4344 1 14 . 1 1 983 983 LEU C C 983 178.652 178.652 178.845 -0.193 25404 4345 1 14 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.302 0.274 25404 4346 1 14 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.985 -0.615 25404 4347 1 14 . 1 1 983 983 LEU H H 983 8.638 8.638 8.824 -0.186 25404 4348 1 14 . 1 1 984 984 SER N N 984 113.275 113.275 113.338 -0.063 25404 4349 1 14 . 1 1 984 984 SER HA H 984 4.690 4.690 4.436 0.254 25404 4350 1 14 . 1 1 984 984 SER C C 984 174.726 174.726 174.948 -0.222 25404 4351 1 14 . 1 1 984 984 SER CA C 984 59.300 59.300 58.515 0.785 25404 4352 1 14 . 1 1 984 984 SER CB C 984 64.400 64.400 63.497 0.903 25404 4353 1 14 . 1 1 984 984 SER H H 984 7.736 7.736 7.919 -0.183 25404 4354 1 14 . 1 1 985 985 GLY N N 985 108.346 108.346 108.402 -0.056 25404 4355 1 14 . 1 1 985 985 GLY C C 985 174.740 174.740 174.085 0.655 25404 4356 1 14 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.739 1.024 25404 4357 1 14 . 1 1 985 985 GLY H H 985 7.880 7.880 7.458 0.422 25404 4358 1 14 . 1 1 986 986 ALA N N 986 123.024 123.024 122.041 0.983 25404 4359 1 14 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.297 0.093 25404 4360 1 14 . 1 1 986 986 ALA C C 986 177.887 177.887 176.510 1.377 25404 4361 1 14 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.892 1.922 25404 4362 1 14 . 1 1 986 986 ALA CB C 986 20.400 20.400 20.099 0.301 25404 4363 1 14 . 1 1 986 986 ALA H H 986 7.790 7.790 8.027 -0.237 25404 4364 1 14 . 1 1 987 987 SER N N 987 111.887 111.887 114.666 -2.779 25404 4365 1 14 . 1 1 987 987 SER HA H 987 4.730 4.730 4.460 0.270 25404 4366 1 14 . 1 1 987 987 SER C C 987 174.429 174.429 173.980 0.449 25404 4367 1 14 . 1 1 987 987 SER CA C 987 57.629 57.629 57.826 -0.197 25404 4368 1 14 . 1 1 987 987 SER CB C 987 64.309 64.309 63.529 0.780 25404 4369 1 14 . 1 1 987 987 SER H H 987 8.810 8.810 8.524 0.286 25404 4370 1 14 . 1 1 988 988 ASP N N 988 120.053 120.053 123.316 -3.263 25404 4371 1 14 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.634 0.301 25404 4372 1 14 . 1 1 988 988 ASP C C 988 173.389 173.389 176.231 -2.842 25404 4373 1 14 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.679 -1.266 25404 4374 1 14 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.922 -0.762 25404 4375 1 14 . 1 1 988 988 ASP H H 988 7.933 7.933 7.899 0.034 25404 4376 1 14 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.238 0.082 25404 4377 1 14 . 1 1 989 989 PRO C C 989 179.464 179.464 177.780 1.684 25404 4378 1 14 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.752 1.003 25404 4379 1 14 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.912 0.730 25404 4380 1 14 . 1 1 990 990 ASP N N 990 118.727 118.727 116.820 1.907 25404 4381 1 14 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.720 -0.133 25404 4382 1 14 . 1 1 990 990 ASP C C 990 178.185 178.185 178.805 -0.620 25404 4383 1 14 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.305 0.822 25404 4384 1 14 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.915 0.275 25404 4385 1 14 . 1 1 990 990 ASP H H 990 8.418 8.418 8.831 -0.413 25404 4386 1 14 . 1 1 991 991 SER N N 991 121.204 121.204 116.807 4.397 25404 4387 1 14 . 1 1 991 991 SER HA H 991 4.278 4.278 4.399 -0.121 25404 4388 1 14 . 1 1 991 991 SER CA C 991 64.100 64.100 61.916 2.184 25404 4389 1 14 . 1 1 991 991 SER CB C 991 62.832 62.832 63.321 -0.489 25404 4390 1 14 . 1 1 991 991 SER H H 991 8.093 8.093 7.839 0.254 25404 4391 1 14 . 1 1 992 992 GLN N N 992 119.137 119.137 120.590 -1.453 25404 4392 1 14 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.102 0.182 25404 4393 1 14 . 1 1 992 992 GLN C C 992 179.621 179.621 178.777 0.844 25404 4394 1 14 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.833 0.837 25404 4395 1 14 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.305 0.425 25404 4396 1 14 . 1 1 992 992 GLN H H 992 8.131 8.131 8.046 0.085 25404 4397 1 14 . 1 1 993 993 ARG N N 993 122.037 122.037 119.937 2.100 25404 4398 1 14 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.166 0.008 25404 4399 1 14 . 1 1 993 993 ARG C C 993 179.465 179.465 178.595 0.870 25404 4400 1 14 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.934 0.958 25404 4401 1 14 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.019 0.273 25404 4402 1 14 . 1 1 993 993 ARG H H 993 8.345 8.345 8.276 0.069 25404 4403 1 14 . 1 1 994 994 TYR N N 994 122.855 122.855 122.215 0.640 25404 4404 1 14 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.363 0.237 25404 4405 1 14 . 1 1 994 994 TYR C C 994 176.468 176.468 177.559 -1.091 25404 4406 1 14 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.127 2.551 25404 4407 1 14 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.255 1.045 25404 4408 1 14 . 1 1 994 994 TYR H H 994 9.285 9.285 8.558 0.727 25404 4409 1 14 . 1 1 995 995 ASN N N 995 117.831 117.831 117.899 -0.068 25404 4410 1 14 . 1 1 995 995 ASN HA H 995 4.549 4.549 3.927 0.622 25404 4411 1 14 . 1 1 995 995 ASN C C 995 178.763 178.763 177.602 1.161 25404 4412 1 14 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.485 0.457 25404 4413 1 14 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.403 0.037 25404 4414 1 14 . 1 1 995 995 ASN H H 995 8.678 8.678 8.503 0.175 25404 4415 1 14 . 1 1 996 996 ALA N N 996 122.157 122.157 124.130 -1.973 25404 4416 1 14 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.116 0.254 25404 4417 1 14 . 1 1 996 996 ALA C C 996 179.848 179.848 178.944 0.904 25404 4418 1 14 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.900 0.417 25404 4419 1 14 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.541 0.149 25404 4420 1 14 . 1 1 996 996 ALA H H 996 7.984 7.984 8.290 -0.306 25404 4421 1 14 . 1 1 997 997 TRP N N 997 123.610 123.610 121.184 2.426 25404 4422 1 14 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.223 0.158 25404 4423 1 14 . 1 1 997 997 TRP C C 997 178.383 178.383 177.692 0.691 25404 4424 1 14 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.819 0.363 25404 4425 1 14 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.438 -0.138 25404 4426 1 14 . 1 1 997 997 TRP H H 997 8.760 8.760 8.550 0.210 25404 4427 1 14 . 1 1 998 998 LEU N N 998 120.247 120.247 119.934 0.313 25404 4428 1 14 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.587 -0.017 25404 4429 1 14 . 1 1 998 998 LEU C C 998 180.003 180.003 178.416 1.587 25404 4430 1 14 . 1 1 998 998 LEU CA C 998 57.923 57.923 58.069 -0.145 25404 4431 1 14 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.024 1.576 25404 4432 1 14 . 1 1 998 998 LEU H H 998 9.030 9.030 8.564 0.466 25404 4433 1 14 . 1 1 999 999 GLU N N 999 118.449 118.449 119.958 -1.509 25404 4434 1 14 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.915 0.151 25404 4435 1 14 . 1 1 999 999 GLU C C 999 178.785 178.785 179.056 -0.271 25404 4436 1 14 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.567 -0.094 25404 4437 1 14 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.586 0.274 25404 4438 1 14 . 1 1 999 999 GLU H H 999 7.574 7.574 7.834 -0.260 25404 4439 1 15 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.223 0.177 25404 4440 1 15 . 1 1 946 946 ALA C C 946 177.730 177.730 178.530 -0.800 25404 4441 1 15 . 1 1 946 946 ALA CA C 946 52.945 52.945 54.015 -1.070 25404 4442 1 15 . 1 1 946 946 ALA CB C 946 19.770 19.770 18.741 1.029 25404 4443 1 15 . 1 1 946 946 ALA H H 946 8.480 8.480 8.410 0.070 25404 4444 1 15 . 1 1 947 947 MET N N 947 119.619 119.619 114.807 4.812 25404 4445 1 15 . 1 1 947 947 MET HA H 947 4.520 4.520 4.557 -0.037 25404 4446 1 15 . 1 1 947 947 MET C C 947 175.878 175.878 176.374 -0.496 25404 4447 1 15 . 1 1 947 947 MET CA C 947 55.676 55.676 55.070 0.606 25404 4448 1 15 . 1 1 947 947 MET CB C 947 33.450 33.450 31.891 1.559 25404 4449 1 15 . 1 1 947 947 MET H H 947 8.468 8.468 7.801 0.667 25404 4450 1 15 . 1 1 948 948 ALA N N 948 125.737 125.737 124.535 1.202 25404 4451 1 15 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.099 0.068 25404 4452 1 15 . 1 1 948 948 ALA C C 948 177.203 177.203 177.562 -0.359 25404 4453 1 15 . 1 1 948 948 ALA CA C 948 52.810 52.810 54.348 -1.538 25404 4454 1 15 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.787 0.735 25404 4455 1 15 . 1 1 948 948 ALA H H 948 8.432 8.432 7.651 0.781 25404 4456 1 15 . 1 1 949 949 ILE N N 949 119.982 119.982 113.781 6.201 25404 4457 1 15 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.390 -0.190 25404 4458 1 15 . 1 1 949 949 ILE C C 949 175.237 175.237 175.054 0.183 25404 4459 1 15 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.159 1.241 25404 4460 1 15 . 1 1 949 949 ILE CB C 949 39.460 39.460 40.202 -0.742 25404 4461 1 15 . 1 1 949 949 ILE H H 949 8.049 8.049 7.700 0.349 25404 4462 1 15 . 1 1 950 950 ALA N N 950 127.463 127.463 126.327 1.136 25404 4463 1 15 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.434 0.076 25404 4464 1 15 . 1 1 950 950 ALA C C 950 176.693 176.693 177.374 -0.681 25404 4465 1 15 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.840 0.251 25404 4466 1 15 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.194 0.866 25404 4467 1 15 . 1 1 950 950 ALA H H 950 8.286 8.286 8.339 -0.053 25404 4468 1 15 . 1 1 951 951 LEU N N 951 120.899 120.899 121.055 -0.156 25404 4469 1 15 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.606 -0.006 25404 4470 1 15 . 1 1 951 951 LEU C C 951 177.680 177.680 176.997 0.683 25404 4471 1 15 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.639 -0.038 25404 4472 1 15 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.724 1.476 25404 4473 1 15 . 1 1 951 951 LEU H H 951 8.098 8.098 7.621 0.477 25404 4474 1 15 . 1 1 952 952 ARG N N 952 122.793 122.793 122.621 0.172 25404 4475 1 15 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.410 0.147 25404 4476 1 15 . 1 1 952 952 ARG C C 952 177.543 177.543 176.788 0.755 25404 4477 1 15 . 1 1 952 952 ARG CA C 952 56.276 56.276 53.989 2.287 25404 4478 1 15 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.856 1.974 25404 4479 1 15 . 1 1 952 952 ARG H H 952 9.312 9.312 8.516 0.796 25404 4480 1 15 . 1 1 953 953 ASP N N 953 122.129 122.129 120.080 2.049 25404 4481 1 15 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.340 0.150 25404 4482 1 15 . 1 1 953 953 ASP C C 953 177.472 177.472 178.196 -0.724 25404 4483 1 15 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.299 -0.213 25404 4484 1 15 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.192 0.288 25404 4485 1 15 . 1 1 953 953 ASP H H 953 8.959 8.959 8.830 0.129 25404 4486 1 15 . 1 1 954 954 ASP N N 954 116.531 116.531 119.750 -3.219 25404 4487 1 15 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.434 0.196 25404 4488 1 15 . 1 1 954 954 ASP C C 954 178.707 178.707 178.259 0.448 25404 4489 1 15 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.034 -0.133 25404 4490 1 15 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.804 -0.704 25404 4491 1 15 . 1 1 954 954 ASP H H 954 8.776 8.776 8.614 0.162 25404 4492 1 15 . 1 1 955 955 GLU N N 955 121.514 121.514 120.343 1.171 25404 4493 1 15 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.137 0.413 25404 4494 1 15 . 1 1 955 955 GLU C C 955 177.302 177.302 178.915 -1.613 25404 4495 1 15 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.391 -0.072 25404 4496 1 15 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.649 2.191 25404 4497 1 15 . 1 1 955 955 GLU H H 955 7.692 7.692 8.389 -0.697 25404 4498 1 15 . 1 1 956 956 TYR N N 956 120.780 120.780 121.494 -0.714 25404 4499 1 15 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.251 0.039 25404 4500 1 15 . 1 1 956 956 TYR C C 956 177.098 177.098 177.326 -0.228 25404 4501 1 15 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.949 1.002 25404 4502 1 15 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.595 -0.183 25404 4503 1 15 . 1 1 956 956 TYR H H 956 8.425 8.425 8.998 -0.573 25404 4504 1 15 . 1 1 957 957 ASP N N 957 118.102 118.102 118.456 -0.354 25404 4505 1 15 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.307 0.063 25404 4506 1 15 . 1 1 957 957 ASP C C 957 177.919 177.919 178.980 -1.061 25404 4507 1 15 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.397 0.257 25404 4508 1 15 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.050 0.481 25404 4509 1 15 . 1 1 957 957 ASP H H 957 8.169 8.169 8.123 0.046 25404 4510 1 15 . 1 1 958 958 GLU N N 958 121.150 121.150 121.103 0.047 25404 4511 1 15 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.224 -0.164 25404 4512 1 15 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.572 1.538 25404 4513 1 15 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.457 1.373 25404 4514 1 15 . 1 1 958 958 GLU H H 958 7.782 7.782 7.702 0.080 25404 4515 1 15 . 1 1 959 959 TRP N N 959 120.489 120.489 122.195 -1.706 25404 4516 1 15 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.739 -0.370 25404 4517 1 15 . 1 1 959 959 TRP C C 959 176.651 176.651 177.723 -1.072 25404 4518 1 15 . 1 1 959 959 TRP CA C 959 58.791 58.791 60.885 -2.094 25404 4519 1 15 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.119 -1.349 25404 4520 1 15 . 1 1 959 959 TRP H H 959 8.089 8.089 8.400 -0.311 25404 4521 1 15 . 1 1 960 960 GLN N N 960 113.509 113.509 116.063 -2.554 25404 4522 1 15 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.165 -0.045 25404 4523 1 15 . 1 1 960 960 GLN C C 960 179.089 179.089 178.605 0.484 25404 4524 1 15 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.543 -0.212 25404 4525 1 15 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.334 1.136 25404 4526 1 15 . 1 1 960 960 GLN H H 960 7.946 7.946 7.759 0.187 25404 4527 1 15 . 1 1 961 961 ASP N N 961 120.534 120.534 120.521 0.013 25404 4528 1 15 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.348 0.172 25404 4529 1 15 . 1 1 961 961 ASP C C 961 177.660 177.660 178.751 -1.091 25404 4530 1 15 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.148 0.311 25404 4531 1 15 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.479 -0.109 25404 4532 1 15 . 1 1 961 961 ASP H H 961 8.253 8.253 7.922 0.331 25404 4533 1 15 . 1 1 962 962 ILE N N 962 124.280 124.280 120.962 3.318 25404 4534 1 15 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.932 0.138 25404 4535 1 15 . 1 1 962 962 ILE C C 962 177.301 177.301 177.015 0.286 25404 4536 1 15 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.322 1.778 25404 4537 1 15 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.685 -0.915 25404 4538 1 15 . 1 1 962 962 ILE H H 962 8.600 8.600 7.623 0.977 25404 4539 1 15 . 1 1 963 963 ILE N N 963 121.368 121.368 120.273 1.095 25404 4540 1 15 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.592 0.268 25404 4541 1 15 . 1 1 963 963 ILE C C 963 179.751 179.751 178.044 1.707 25404 4542 1 15 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.130 -0.021 25404 4543 1 15 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.397 1.093 25404 4544 1 15 . 1 1 963 963 ILE H H 963 7.377 7.377 7.490 -0.113 25404 4545 1 15 . 1 1 964 964 ARG N N 964 119.627 119.627 119.471 0.156 25404 4546 1 15 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.782 0.288 25404 4547 1 15 . 1 1 964 964 ARG C C 964 179.065 179.065 177.799 1.266 25404 4548 1 15 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.661 -0.507 25404 4549 1 15 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.940 0.860 25404 4550 1 15 . 1 1 964 964 ARG H H 964 7.209 7.209 7.619 -0.410 25404 4551 1 15 . 1 1 965 965 ASP N N 965 119.847 119.847 118.183 1.664 25404 4552 1 15 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.311 0.309 25404 4553 1 15 . 1 1 965 965 ASP C C 965 178.787 178.787 177.354 1.433 25404 4554 1 15 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.288 1.129 25404 4555 1 15 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.267 0.348 25404 4556 1 15 . 1 1 965 965 ASP H H 965 9.098 9.098 7.558 1.540 25404 4557 1 15 . 1 1 966 966 TRP N N 966 118.678 118.678 118.064 0.614 25404 4558 1 15 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.585 0.155 25404 4559 1 15 . 1 1 966 966 TRP C C 966 176.094 176.094 176.706 -0.612 25404 4560 1 15 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.811 0.032 25404 4561 1 15 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.939 -1.339 25404 4562 1 15 . 1 1 966 966 TRP H H 966 9.253 9.253 7.323 1.930 25404 4563 1 15 . 1 1 967 967 ARG N N 967 116.998 116.998 114.244 2.754 25404 4564 1 15 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.832 0.198 25404 4565 1 15 . 1 1 967 967 ARG C C 967 174.965 174.965 175.075 -0.110 25404 4566 1 15 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.433 -0.427 25404 4567 1 15 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.364 -0.398 25404 4568 1 15 . 1 1 967 967 ARG H H 967 7.762 7.762 7.928 -0.166 25404 4569 1 15 . 1 1 968 968 LYS N N 968 117.708 117.708 117.510 0.198 25404 4570 1 15 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.594 0.046 25404 4571 1 15 . 1 1 968 968 LYS C C 968 174.258 174.258 174.617 -0.359 25404 4572 1 15 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.394 0.845 25404 4573 1 15 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.042 1.072 25404 4574 1 15 . 1 1 968 968 LYS H H 968 7.462 7.462 7.615 -0.153 25404 4575 1 15 . 1 1 969 969 GLU N N 969 123.352 123.352 122.509 0.843 25404 4576 1 15 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.253 -0.086 25404 4577 1 15 . 1 1 969 969 GLU C C 969 175.962 175.962 175.709 0.253 25404 4578 1 15 . 1 1 969 969 GLU CA C 969 57.146 57.146 57.103 0.043 25404 4579 1 15 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.233 -0.733 25404 4580 1 15 . 1 1 969 969 GLU H H 969 8.559 8.559 8.451 0.108 25404 4581 1 15 . 1 1 970 970 MET N N 970 121.247 121.247 122.306 -1.059 25404 4582 1 15 . 1 1 970 970 MET HA H 970 4.920 4.920 4.868 0.052 25404 4583 1 15 . 1 1 970 970 MET C C 970 176.884 176.884 174.541 2.343 25404 4584 1 15 . 1 1 970 970 MET CA C 970 55.546 55.546 54.109 1.437 25404 4585 1 15 . 1 1 970 970 MET CB C 970 36.772 36.772 35.906 0.866 25404 4586 1 15 . 1 1 970 970 MET H H 970 7.314 7.314 7.868 -0.554 25404 4587 1 15 . 1 1 971 971 THR N N 971 118.284 118.284 110.218 8.066 25404 4588 1 15 . 1 1 971 971 THR HA H 971 4.740 4.740 4.865 -0.125 25404 4589 1 15 . 1 1 971 971 THR C C 971 175.112 175.112 175.369 -0.257 25404 4590 1 15 . 1 1 971 971 THR CA C 971 61.582 61.582 60.859 0.723 25404 4591 1 15 . 1 1 971 971 THR CB C 971 71.203 71.203 71.031 0.172 25404 4592 1 15 . 1 1 971 971 THR H H 971 9.129 9.129 8.132 0.997 25404 4593 1 15 . 1 1 972 972 VAL N N 972 121.240 121.240 121.907 -0.667 25404 4594 1 15 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.060 -0.330 25404 4595 1 15 . 1 1 972 972 VAL C C 972 177.014 177.014 177.850 -0.836 25404 4596 1 15 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.629 1.482 25404 4597 1 15 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.341 -0.041 25404 4598 1 15 . 1 1 972 972 VAL H H 972 8.745 8.745 8.432 0.313 25404 4599 1 15 . 1 1 973 973 GLN N N 973 117.672 117.672 117.282 0.390 25404 4600 1 15 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.901 -0.071 25404 4601 1 15 . 1 1 973 973 GLN C C 973 178.206 178.206 178.793 -0.587 25404 4602 1 15 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.376 0.104 25404 4603 1 15 . 1 1 973 973 GLN CB C 973 28.920 28.920 27.568 1.352 25404 4604 1 15 . 1 1 973 973 GLN H H 973 8.179 8.179 8.584 -0.405 25404 4605 1 15 . 1 1 974 974 GLN N N 974 118.023 118.023 118.725 -0.702 25404 4606 1 15 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.026 0.064 25404 4607 1 15 . 1 1 974 974 GLN C C 974 179.457 179.457 178.366 1.091 25404 4608 1 15 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.405 0.718 25404 4609 1 15 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.042 1.108 25404 4610 1 15 . 1 1 974 974 GLN H H 974 7.797 7.797 7.677 0.120 25404 4611 1 15 . 1 1 975 975 PHE N N 975 121.801 121.801 121.513 0.288 25404 4612 1 15 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.192 0.158 25404 4613 1 15 . 1 1 975 975 PHE C C 975 175.313 175.313 177.087 -1.774 25404 4614 1 15 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.747 0.226 25404 4615 1 15 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.022 0.693 25404 4616 1 15 . 1 1 975 975 PHE H H 975 8.290 8.290 7.658 0.632 25404 4617 1 15 . 1 1 976 976 LEU N N 976 119.703 119.703 119.499 0.204 25404 4618 1 15 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.450 0.074 25404 4619 1 15 . 1 1 976 976 LEU C C 976 180.091 180.091 179.051 1.040 25404 4620 1 15 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.152 -0.138 25404 4621 1 15 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.319 1.108 25404 4622 1 15 . 1 1 976 976 LEU H H 976 8.538 8.538 8.301 0.237 25404 4623 1 15 . 1 1 977 977 ASP N N 977 119.392 119.392 120.006 -0.614 25404 4624 1 15 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.304 0.006 25404 4625 1 15 . 1 1 977 977 ASP C C 977 178.035 178.035 178.773 -0.738 25404 4626 1 15 . 1 1 977 977 ASP CA C 977 57.444 57.444 57.113 0.331 25404 4627 1 15 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.835 0.267 25404 4628 1 15 . 1 1 977 977 ASP H H 977 8.274 8.274 7.964 0.310 25404 4629 1 15 . 1 1 978 978 LEU N N 978 122.575 122.575 120.949 1.626 25404 4630 1 15 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.947 0.003 25404 4631 1 15 . 1 1 978 978 LEU C C 978 176.975 176.975 177.950 -0.975 25404 4632 1 15 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.696 0.694 25404 4633 1 15 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.743 0.357 25404 4634 1 15 . 1 1 978 978 LEU H H 978 7.648 7.648 7.892 -0.244 25404 4635 1 15 . 1 1 979 979 LYS N N 979 118.441 118.441 117.971 0.470 25404 4636 1 15 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.598 -0.418 25404 4637 1 15 . 1 1 979 979 LYS C C 979 177.972 177.972 178.301 -0.329 25404 4638 1 15 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.382 0.778 25404 4639 1 15 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.429 1.171 25404 4640 1 15 . 1 1 979 979 LYS H H 979 7.958 7.958 8.089 -0.131 25404 4641 1 15 . 1 1 980 980 GLU N N 980 117.008 117.008 120.860 -3.852 25404 4642 1 15 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.917 0.043 25404 4643 1 15 . 1 1 980 980 GLU C C 980 180.050 180.050 179.033 1.017 25404 4644 1 15 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.173 0.485 25404 4645 1 15 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.178 0.506 25404 4646 1 15 . 1 1 980 980 GLU H H 980 7.994 7.994 8.049 -0.055 25404 4647 1 15 . 1 1 981 981 ARG N N 981 119.530 119.530 119.053 0.477 25404 4648 1 15 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.981 0.199 25404 4649 1 15 . 1 1 981 981 ARG C C 981 179.556 179.556 178.747 0.809 25404 4650 1 15 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.135 -2.205 25404 4651 1 15 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.193 -0.443 25404 4652 1 15 . 1 1 981 981 ARG H H 981 8.159 8.159 7.983 0.176 25404 4653 1 15 . 1 1 982 982 ALA N N 982 126.163 126.163 122.932 3.231 25404 4654 1 15 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.221 0.029 25404 4655 1 15 . 1 1 982 982 ALA C C 982 182.415 182.415 180.449 1.966 25404 4656 1 15 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.855 1.562 25404 4657 1 15 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.671 0.939 25404 4658 1 15 . 1 1 982 982 ALA H H 982 8.947 8.947 8.012 0.935 25404 4659 1 15 . 1 1 983 983 LEU N N 983 119.414 119.414 119.220 0.194 25404 4660 1 15 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.168 0.262 25404 4661 1 15 . 1 1 983 983 LEU C C 983 178.652 178.652 178.946 -0.294 25404 4662 1 15 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.211 0.365 25404 4663 1 15 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.767 -0.397 25404 4664 1 15 . 1 1 983 983 LEU H H 983 8.638 8.638 8.612 0.026 25404 4665 1 15 . 1 1 984 984 SER N N 984 113.275 113.275 113.681 -0.406 25404 4666 1 15 . 1 1 984 984 SER HA H 984 4.690 4.690 4.424 0.266 25404 4667 1 15 . 1 1 984 984 SER C C 984 174.726 174.726 174.879 -0.153 25404 4668 1 15 . 1 1 984 984 SER CA C 984 59.300 59.300 59.123 0.177 25404 4669 1 15 . 1 1 984 984 SER CB C 984 64.400 64.400 63.756 0.644 25404 4670 1 15 . 1 1 984 984 SER H H 984 7.736 7.736 7.898 -0.162 25404 4671 1 15 . 1 1 985 985 GLY N N 985 108.346 108.346 108.851 -0.505 25404 4672 1 15 . 1 1 985 985 GLY C C 985 174.740 174.740 173.437 1.303 25404 4673 1 15 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.894 0.869 25404 4674 1 15 . 1 1 985 985 GLY H H 985 7.880 7.880 7.742 0.138 25404 4675 1 15 . 1 1 986 986 ALA N N 986 123.024 123.024 121.366 1.658 25404 4676 1 15 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.380 0.010 25404 4677 1 15 . 1 1 986 986 ALA C C 986 177.887 177.887 176.332 1.555 25404 4678 1 15 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.732 2.082 25404 4679 1 15 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.921 0.479 25404 4680 1 15 . 1 1 986 986 ALA H H 986 7.790 7.790 8.027 -0.237 25404 4681 1 15 . 1 1 987 987 SER N N 987 111.887 111.887 114.061 -2.174 25404 4682 1 15 . 1 1 987 987 SER HA H 987 4.730 4.730 4.479 0.251 25404 4683 1 15 . 1 1 987 987 SER C C 987 174.429 174.429 173.569 0.860 25404 4684 1 15 . 1 1 987 987 SER CA C 987 57.629 57.629 58.241 -0.612 25404 4685 1 15 . 1 1 987 987 SER CB C 987 64.309 64.309 63.866 0.443 25404 4686 1 15 . 1 1 987 987 SER H H 987 8.810 8.810 8.583 0.227 25404 4687 1 15 . 1 1 988 988 ASP N N 988 120.053 120.053 123.457 -3.404 25404 4688 1 15 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.636 0.299 25404 4689 1 15 . 1 1 988 988 ASP C C 988 173.389 173.389 176.333 -2.944 25404 4690 1 15 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.050 -0.637 25404 4691 1 15 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.836 -0.676 25404 4692 1 15 . 1 1 988 988 ASP H H 988 7.933 7.933 7.818 0.115 25404 4693 1 15 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.224 0.096 25404 4694 1 15 . 1 1 989 989 PRO C C 989 179.464 179.464 177.887 1.577 25404 4695 1 15 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.762 0.994 25404 4696 1 15 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.963 0.679 25404 4697 1 15 . 1 1 990 990 ASP N N 990 118.727 118.727 117.118 1.609 25404 4698 1 15 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.490 0.097 25404 4699 1 15 . 1 1 990 990 ASP C C 990 178.185 178.185 178.769 -0.584 25404 4700 1 15 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.350 0.777 25404 4701 1 15 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.916 0.274 25404 4702 1 15 . 1 1 990 990 ASP H H 990 8.418 8.418 8.764 -0.346 25404 4703 1 15 . 1 1 991 991 SER N N 991 121.204 121.204 116.314 4.890 25404 4704 1 15 . 1 1 991 991 SER HA H 991 4.278 4.278 4.330 -0.052 25404 4705 1 15 . 1 1 991 991 SER CA C 991 64.100 64.100 61.917 2.183 25404 4706 1 15 . 1 1 991 991 SER CB C 991 62.832 62.832 63.284 -0.452 25404 4707 1 15 . 1 1 991 991 SER H H 991 8.093 8.093 7.805 0.288 25404 4708 1 15 . 1 1 992 992 GLN N N 992 119.137 119.137 120.694 -1.557 25404 4709 1 15 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.101 0.183 25404 4710 1 15 . 1 1 992 992 GLN C C 992 179.621 179.621 178.779 0.842 25404 4711 1 15 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.878 0.792 25404 4712 1 15 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.273 0.457 25404 4713 1 15 . 1 1 992 992 GLN H H 992 8.131 8.131 8.037 0.094 25404 4714 1 15 . 1 1 993 993 ARG N N 993 122.037 122.037 120.352 1.685 25404 4715 1 15 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.144 0.030 25404 4716 1 15 . 1 1 993 993 ARG C C 993 179.465 179.465 178.868 0.597 25404 4717 1 15 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.518 0.374 25404 4718 1 15 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.244 0.048 25404 4719 1 15 . 1 1 993 993 ARG H H 993 8.345 8.345 8.204 0.141 25404 4720 1 15 . 1 1 994 994 TYR N N 994 122.855 122.855 121.763 1.092 25404 4721 1 15 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.501 0.099 25404 4722 1 15 . 1 1 994 994 TYR C C 994 176.468 176.468 177.573 -1.105 25404 4723 1 15 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.390 2.288 25404 4724 1 15 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.501 0.799 25404 4725 1 15 . 1 1 994 994 TYR H H 994 9.285 9.285 8.343 0.942 25404 4726 1 15 . 1 1 995 995 ASN N N 995 117.831 117.831 117.693 0.138 25404 4727 1 15 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.231 0.318 25404 4728 1 15 . 1 1 995 995 ASN C C 995 178.763 178.763 177.751 1.012 25404 4729 1 15 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.599 0.343 25404 4730 1 15 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.235 0.205 25404 4731 1 15 . 1 1 995 995 ASN H H 995 8.678 8.678 8.590 0.088 25404 4732 1 15 . 1 1 996 996 ALA N N 996 122.157 122.157 124.096 -1.939 25404 4733 1 15 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.152 0.217 25404 4734 1 15 . 1 1 996 996 ALA C C 996 179.848 179.848 179.114 0.734 25404 4735 1 15 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.878 0.439 25404 4736 1 15 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.596 0.094 25404 4737 1 15 . 1 1 996 996 ALA H H 996 7.984 7.984 8.146 -0.162 25404 4738 1 15 . 1 1 997 997 TRP N N 997 123.610 123.610 121.527 2.083 25404 4739 1 15 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.210 0.171 25404 4740 1 15 . 1 1 997 997 TRP C C 997 178.383 178.383 177.653 0.730 25404 4741 1 15 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.776 0.406 25404 4742 1 15 . 1 1 997 997 TRP CB C 997 29.300 29.300 28.984 0.316 25404 4743 1 15 . 1 1 997 997 TRP H H 997 8.760 8.760 8.395 0.365 25404 4744 1 15 . 1 1 998 998 LEU N N 998 120.247 120.247 118.192 2.055 25404 4745 1 15 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.167 0.403 25404 4746 1 15 . 1 1 998 998 LEU C C 998 180.003 180.003 178.616 1.387 25404 4747 1 15 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.849 0.074 25404 4748 1 15 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.196 1.404 25404 4749 1 15 . 1 1 998 998 LEU H H 998 9.030 9.030 7.805 1.225 25404 4750 1 15 . 1 1 999 999 GLU N N 999 118.449 118.449 120.364 -1.915 25404 4751 1 15 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.920 0.146 25404 4752 1 15 . 1 1 999 999 GLU C C 999 178.785 178.785 179.155 -0.370 25404 4753 1 15 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.582 -0.109 25404 4754 1 15 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.619 0.241 25404 4755 1 15 . 1 1 999 999 GLU H H 999 7.574 7.574 7.609 -0.035 25404 4756 1 16 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.807 -0.407 25404 4757 1 16 . 1 1 946 946 ALA C C 946 177.730 177.730 177.750 -0.020 25404 4758 1 16 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.430 0.515 25404 4759 1 16 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.241 0.529 25404 4760 1 16 . 1 1 946 946 ALA H H 946 8.480 8.480 7.904 0.576 25404 4761 1 16 . 1 1 947 947 MET N N 947 119.619 119.619 122.182 -2.563 25404 4762 1 16 . 1 1 947 947 MET HA H 947 4.520 4.520 4.318 0.202 25404 4763 1 16 . 1 1 947 947 MET C C 947 175.878 175.878 177.083 -1.205 25404 4764 1 16 . 1 1 947 947 MET CA C 947 55.676 55.676 55.137 0.539 25404 4765 1 16 . 1 1 947 947 MET CB C 947 33.450 33.450 31.934 1.516 25404 4766 1 16 . 1 1 947 947 MET H H 947 8.468 8.468 8.484 -0.016 25404 4767 1 16 . 1 1 948 948 ALA N N 948 125.737 125.737 122.199 3.538 25404 4768 1 16 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.053 0.114 25404 4769 1 16 . 1 1 948 948 ALA C C 948 177.203 177.203 176.427 0.776 25404 4770 1 16 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.285 0.525 25404 4771 1 16 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.581 0.941 25404 4772 1 16 . 1 1 948 948 ALA H H 948 8.432 8.432 8.050 0.382 25404 4773 1 16 . 1 1 949 949 ILE N N 949 119.982 119.982 120.790 -0.808 25404 4774 1 16 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.215 -0.015 25404 4775 1 16 . 1 1 949 949 ILE C C 949 175.237 175.237 176.281 -1.044 25404 4776 1 16 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.164 1.236 25404 4777 1 16 . 1 1 949 949 ILE CB C 949 39.460 39.460 39.147 0.313 25404 4778 1 16 . 1 1 949 949 ILE H H 949 8.049 8.049 8.212 -0.163 25404 4779 1 16 . 1 1 950 950 ALA N N 950 127.463 127.463 128.658 -1.195 25404 4780 1 16 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.089 0.421 25404 4781 1 16 . 1 1 950 950 ALA C C 950 176.693 176.693 177.504 -0.811 25404 4782 1 16 . 1 1 950 950 ALA CA C 950 52.091 52.091 53.839 -1.748 25404 4783 1 16 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.930 1.130 25404 4784 1 16 . 1 1 950 950 ALA H H 950 8.286 8.286 8.293 -0.007 25404 4785 1 16 . 1 1 951 951 LEU N N 951 120.899 120.899 119.668 1.231 25404 4786 1 16 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.411 0.189 25404 4787 1 16 . 1 1 951 951 LEU C C 951 177.680 177.680 176.198 1.482 25404 4788 1 16 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.432 0.169 25404 4789 1 16 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.889 1.311 25404 4790 1 16 . 1 1 951 951 LEU H H 951 8.098 8.098 7.522 0.576 25404 4791 1 16 . 1 1 952 952 ARG N N 952 122.793 122.793 122.543 0.250 25404 4792 1 16 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.199 0.358 25404 4793 1 16 . 1 1 952 952 ARG C C 952 177.543 177.543 177.323 0.220 25404 4794 1 16 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.457 -0.181 25404 4795 1 16 . 1 1 952 952 ARG CB C 952 32.830 32.830 30.983 1.847 25404 4796 1 16 . 1 1 952 952 ARG H H 952 9.312 9.312 8.474 0.838 25404 4797 1 16 . 1 1 953 953 ASP N N 953 122.129 122.129 120.818 1.311 25404 4798 1 16 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.376 0.114 25404 4799 1 16 . 1 1 953 953 ASP C C 953 177.472 177.472 178.358 -0.886 25404 4800 1 16 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.253 -0.167 25404 4801 1 16 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.339 0.141 25404 4802 1 16 . 1 1 953 953 ASP H H 953 8.959 8.959 8.807 0.152 25404 4803 1 16 . 1 1 954 954 ASP N N 954 116.531 116.531 118.977 -2.446 25404 4804 1 16 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.526 0.104 25404 4805 1 16 . 1 1 954 954 ASP C C 954 178.707 178.707 178.420 0.287 25404 4806 1 16 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.333 -0.432 25404 4807 1 16 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.803 -0.703 25404 4808 1 16 . 1 1 954 954 ASP H H 954 8.776 8.776 8.572 0.204 25404 4809 1 16 . 1 1 955 955 GLU N N 955 121.514 121.514 119.421 2.093 25404 4810 1 16 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.209 0.341 25404 4811 1 16 . 1 1 955 955 GLU C C 955 177.302 177.302 178.810 -1.508 25404 4812 1 16 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.080 0.239 25404 4813 1 16 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.159 2.681 25404 4814 1 16 . 1 1 955 955 GLU H H 955 7.692 7.692 8.601 -0.909 25404 4815 1 16 . 1 1 956 956 TYR N N 956 120.780 120.780 121.360 -0.580 25404 4816 1 16 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.238 0.052 25404 4817 1 16 . 1 1 956 956 TYR C C 956 177.098 177.098 177.586 -0.488 25404 4818 1 16 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.922 1.028 25404 4819 1 16 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.649 -0.237 25404 4820 1 16 . 1 1 956 956 TYR H H 956 8.425 8.425 8.788 -0.363 25404 4821 1 16 . 1 1 957 957 ASP N N 957 118.102 118.102 118.672 -0.570 25404 4822 1 16 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.342 0.028 25404 4823 1 16 . 1 1 957 957 ASP C C 957 177.919 177.919 178.284 -0.365 25404 4824 1 16 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.039 0.615 25404 4825 1 16 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.505 0.026 25404 4826 1 16 . 1 1 957 957 ASP H H 957 8.169 8.169 7.994 0.175 25404 4827 1 16 . 1 1 958 958 GLU N N 958 121.150 121.150 121.667 -0.517 25404 4828 1 16 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.185 -0.125 25404 4829 1 16 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.193 1.917 25404 4830 1 16 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.546 1.284 25404 4831 1 16 . 1 1 958 958 GLU H H 958 7.782 7.782 7.905 -0.123 25404 4832 1 16 . 1 1 959 959 TRP N N 959 120.489 120.489 121.923 -1.434 25404 4833 1 16 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.657 -0.288 25404 4834 1 16 . 1 1 959 959 TRP C C 959 176.651 176.651 178.036 -1.385 25404 4835 1 16 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.254 -2.463 25404 4836 1 16 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.121 -1.351 25404 4837 1 16 . 1 1 959 959 TRP H H 959 8.089 8.089 8.454 -0.365 25404 4838 1 16 . 1 1 960 960 GLN N N 960 113.509 113.509 116.668 -3.159 25404 4839 1 16 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.199 -0.079 25404 4840 1 16 . 1 1 960 960 GLN C C 960 179.089 179.089 178.541 0.548 25404 4841 1 16 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.678 -0.347 25404 4842 1 16 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.512 0.958 25404 4843 1 16 . 1 1 960 960 GLN H H 960 7.946 7.946 7.949 -0.003 25404 4844 1 16 . 1 1 961 961 ASP N N 961 120.534 120.534 120.501 0.033 25404 4845 1 16 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.354 0.166 25404 4846 1 16 . 1 1 961 961 ASP C C 961 177.660 177.660 178.692 -1.032 25404 4847 1 16 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.154 0.305 25404 4848 1 16 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.409 -0.039 25404 4849 1 16 . 1 1 961 961 ASP H H 961 8.253 8.253 7.891 0.362 25404 4850 1 16 . 1 1 962 962 ILE N N 962 124.280 124.280 120.758 3.522 25404 4851 1 16 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.021 0.049 25404 4852 1 16 . 1 1 962 962 ILE C C 962 177.301 177.301 176.756 0.545 25404 4853 1 16 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.295 2.805 25404 4854 1 16 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.644 -0.874 25404 4855 1 16 . 1 1 962 962 ILE H H 962 8.600 8.600 7.538 1.062 25404 4856 1 16 . 1 1 963 963 ILE N N 963 121.368 121.368 120.637 0.731 25404 4857 1 16 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.611 0.249 25404 4858 1 16 . 1 1 963 963 ILE C C 963 179.751 179.751 177.945 1.806 25404 4859 1 16 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.227 -0.118 25404 4860 1 16 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.266 1.224 25404 4861 1 16 . 1 1 963 963 ILE H H 963 7.377 7.377 7.480 -0.103 25404 4862 1 16 . 1 1 964 964 ARG N N 964 119.627 119.627 119.230 0.397 25404 4863 1 16 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.850 0.220 25404 4864 1 16 . 1 1 964 964 ARG C C 964 179.065 179.065 178.876 0.189 25404 4865 1 16 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.539 -0.385 25404 4866 1 16 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.872 0.928 25404 4867 1 16 . 1 1 964 964 ARG H H 964 7.209 7.209 7.695 -0.486 25404 4868 1 16 . 1 1 965 965 ASP N N 965 119.847 119.847 120.565 -0.718 25404 4869 1 16 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.283 0.337 25404 4870 1 16 . 1 1 965 965 ASP C C 965 178.787 178.787 176.862 1.925 25404 4871 1 16 . 1 1 965 965 ASP CA C 965 57.417 57.417 57.049 0.368 25404 4872 1 16 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.362 0.253 25404 4873 1 16 . 1 1 965 965 ASP H H 965 9.098 9.098 7.762 1.336 25404 4874 1 16 . 1 1 966 966 TRP N N 966 118.678 118.678 115.908 2.770 25404 4875 1 16 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.551 0.189 25404 4876 1 16 . 1 1 966 966 TRP C C 966 176.094 176.094 175.766 0.328 25404 4877 1 16 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.865 -0.022 25404 4878 1 16 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.476 -0.876 25404 4879 1 16 . 1 1 966 966 TRP H H 966 9.253 9.253 7.152 2.101 25404 4880 1 16 . 1 1 967 967 ARG N N 967 116.998 116.998 115.265 1.733 25404 4881 1 16 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.919 0.111 25404 4882 1 16 . 1 1 967 967 ARG C C 967 174.965 174.965 175.525 -0.560 25404 4883 1 16 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.389 -0.383 25404 4884 1 16 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.531 -0.565 25404 4885 1 16 . 1 1 967 967 ARG H H 967 7.762 7.762 7.589 0.173 25404 4886 1 16 . 1 1 968 968 LYS N N 968 117.708 117.708 117.617 0.091 25404 4887 1 16 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.538 0.102 25404 4888 1 16 . 1 1 968 968 LYS C C 968 174.258 174.258 174.635 -0.377 25404 4889 1 16 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.523 0.716 25404 4890 1 16 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.356 0.758 25404 4891 1 16 . 1 1 968 968 LYS H H 968 7.462 7.462 7.588 -0.126 25404 4892 1 16 . 1 1 969 969 GLU N N 969 123.352 123.352 120.533 2.819 25404 4893 1 16 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.343 -0.176 25404 4894 1 16 . 1 1 969 969 GLU C C 969 175.962 175.962 175.376 0.586 25404 4895 1 16 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.551 0.595 25404 4896 1 16 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.002 -0.502 25404 4897 1 16 . 1 1 969 969 GLU H H 969 8.559 8.559 8.547 0.012 25404 4898 1 16 . 1 1 970 970 MET N N 970 121.247 121.247 120.741 0.506 25404 4899 1 16 . 1 1 970 970 MET HA H 970 4.920 4.920 4.868 0.052 25404 4900 1 16 . 1 1 970 970 MET C C 970 176.884 176.884 174.876 2.008 25404 4901 1 16 . 1 1 970 970 MET CA C 970 55.546 55.546 53.704 1.842 25404 4902 1 16 . 1 1 970 970 MET CB C 970 36.772 36.772 35.471 1.301 25404 4903 1 16 . 1 1 970 970 MET H H 970 7.314 7.314 8.030 -0.716 25404 4904 1 16 . 1 1 971 971 THR N N 971 118.284 118.284 111.458 6.826 25404 4905 1 16 . 1 1 971 971 THR HA H 971 4.740 4.740 4.671 0.069 25404 4906 1 16 . 1 1 971 971 THR C C 971 175.112 175.112 175.626 -0.514 25404 4907 1 16 . 1 1 971 971 THR CA C 971 61.582 61.582 61.516 0.066 25404 4908 1 16 . 1 1 971 971 THR CB C 971 71.203 71.203 69.814 1.389 25404 4909 1 16 . 1 1 971 971 THR H H 971 9.129 9.129 8.168 0.961 25404 4910 1 16 . 1 1 972 972 VAL N N 972 121.240 121.240 121.885 -0.645 25404 4911 1 16 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.151 -0.421 25404 4912 1 16 . 1 1 972 972 VAL C C 972 177.014 177.014 178.004 -0.990 25404 4913 1 16 . 1 1 972 972 VAL CA C 972 67.110 67.110 66.014 1.096 25404 4914 1 16 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.141 0.159 25404 4915 1 16 . 1 1 972 972 VAL H H 972 8.745 8.745 8.408 0.337 25404 4916 1 16 . 1 1 973 973 GLN N N 973 117.672 117.672 117.873 -0.201 25404 4917 1 16 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.967 -0.137 25404 4918 1 16 . 1 1 973 973 GLN C C 973 178.206 178.206 178.569 -0.363 25404 4919 1 16 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.165 0.315 25404 4920 1 16 . 1 1 973 973 GLN CB C 973 28.920 28.920 27.622 1.298 25404 4921 1 16 . 1 1 973 973 GLN H H 973 8.179 8.179 8.527 -0.348 25404 4922 1 16 . 1 1 974 974 GLN N N 974 118.023 118.023 118.822 -0.799 25404 4923 1 16 . 1 1 974 974 GLN HA H 974 4.090 4.090 3.979 0.111 25404 4924 1 16 . 1 1 974 974 GLN C C 974 179.457 179.457 178.375 1.082 25404 4925 1 16 . 1 1 974 974 GLN CA C 974 59.123 59.123 59.187 -0.064 25404 4926 1 16 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.037 1.113 25404 4927 1 16 . 1 1 974 974 GLN H H 974 7.797 7.797 7.868 -0.071 25404 4928 1 16 . 1 1 975 975 PHE N N 975 121.801 121.801 119.559 2.242 25404 4929 1 16 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.253 0.097 25404 4930 1 16 . 1 1 975 975 PHE C C 975 175.313 175.313 177.026 -1.713 25404 4931 1 16 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.608 0.365 25404 4932 1 16 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.829 0.886 25404 4933 1 16 . 1 1 975 975 PHE H H 975 8.290 8.290 7.497 0.793 25404 4934 1 16 . 1 1 976 976 LEU N N 976 119.703 119.703 119.881 -0.178 25404 4935 1 16 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.552 -0.028 25404 4936 1 16 . 1 1 976 976 LEU C C 976 180.091 180.091 178.728 1.363 25404 4937 1 16 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.462 -0.448 25404 4938 1 16 . 1 1 976 976 LEU CB C 976 41.427 41.427 41.046 0.381 25404 4939 1 16 . 1 1 976 976 LEU H H 976 8.538 8.538 8.062 0.476 25404 4940 1 16 . 1 1 977 977 ASP N N 977 119.392 119.392 119.790 -0.398 25404 4941 1 16 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.292 0.018 25404 4942 1 16 . 1 1 977 977 ASP C C 977 178.035 178.035 178.455 -0.420 25404 4943 1 16 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.882 0.562 25404 4944 1 16 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.776 0.326 25404 4945 1 16 . 1 1 977 977 ASP H H 977 8.274 8.274 8.197 0.077 25404 4946 1 16 . 1 1 978 978 LEU N N 978 122.575 122.575 120.920 1.655 25404 4947 1 16 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.916 0.034 25404 4948 1 16 . 1 1 978 978 LEU C C 978 176.975 176.975 177.970 -0.995 25404 4949 1 16 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.691 0.699 25404 4950 1 16 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.716 0.384 25404 4951 1 16 . 1 1 978 978 LEU H H 978 7.648 7.648 7.715 -0.067 25404 4952 1 16 . 1 1 979 979 LYS N N 979 118.441 118.441 118.002 0.439 25404 4953 1 16 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.505 -0.325 25404 4954 1 16 . 1 1 979 979 LYS C C 979 177.972 177.972 178.168 -0.196 25404 4955 1 16 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.398 0.763 25404 4956 1 16 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.315 1.285 25404 4957 1 16 . 1 1 979 979 LYS H H 979 7.958 7.958 7.947 0.011 25404 4958 1 16 . 1 1 980 980 GLU N N 980 117.008 117.008 120.542 -3.534 25404 4959 1 16 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.887 0.073 25404 4960 1 16 . 1 1 980 980 GLU C C 980 180.050 180.050 179.092 0.958 25404 4961 1 16 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.547 0.111 25404 4962 1 16 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.392 0.292 25404 4963 1 16 . 1 1 980 980 GLU H H 980 7.994 7.994 8.104 -0.110 25404 4964 1 16 . 1 1 981 981 ARG N N 981 119.530 119.530 118.789 0.741 25404 4965 1 16 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.987 0.193 25404 4966 1 16 . 1 1 981 981 ARG C C 981 179.556 179.556 178.740 0.816 25404 4967 1 16 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.017 -2.087 25404 4968 1 16 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.164 -0.414 25404 4969 1 16 . 1 1 981 981 ARG H H 981 8.159 8.159 7.893 0.266 25404 4970 1 16 . 1 1 982 982 ALA N N 982 126.163 126.163 123.007 3.156 25404 4971 1 16 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.199 0.051 25404 4972 1 16 . 1 1 982 982 ALA C C 982 182.415 182.415 180.443 1.972 25404 4973 1 16 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.829 1.588 25404 4974 1 16 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.628 0.982 25404 4975 1 16 . 1 1 982 982 ALA H H 982 8.947 8.947 8.002 0.945 25404 4976 1 16 . 1 1 983 983 LEU N N 983 119.414 119.414 119.248 0.166 25404 4977 1 16 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.185 0.245 25404 4978 1 16 . 1 1 983 983 LEU C C 983 178.652 178.652 179.071 -0.419 25404 4979 1 16 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.227 0.348 25404 4980 1 16 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.518 -0.148 25404 4981 1 16 . 1 1 983 983 LEU H H 983 8.638 8.638 8.758 -0.120 25404 4982 1 16 . 1 1 984 984 SER N N 984 113.275 113.275 114.223 -0.948 25404 4983 1 16 . 1 1 984 984 SER HA H 984 4.690 4.690 4.437 0.253 25404 4984 1 16 . 1 1 984 984 SER C C 984 174.726 174.726 175.251 -0.525 25404 4985 1 16 . 1 1 984 984 SER CA C 984 59.300 59.300 58.281 1.019 25404 4986 1 16 . 1 1 984 984 SER CB C 984 64.400 64.400 63.490 0.910 25404 4987 1 16 . 1 1 984 984 SER H H 984 7.736 7.736 7.819 -0.083 25404 4988 1 16 . 1 1 985 985 GLY N N 985 108.346 108.346 108.170 0.176 25404 4989 1 16 . 1 1 985 985 GLY C C 985 174.740 174.740 173.939 0.801 25404 4990 1 16 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.840 0.923 25404 4991 1 16 . 1 1 985 985 GLY H H 985 7.880 7.880 7.730 0.150 25404 4992 1 16 . 1 1 986 986 ALA N N 986 123.024 123.024 122.135 0.889 25404 4993 1 16 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.335 0.055 25404 4994 1 16 . 1 1 986 986 ALA C C 986 177.887 177.887 177.364 0.523 25404 4995 1 16 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.677 2.137 25404 4996 1 16 . 1 1 986 986 ALA CB C 986 20.400 20.400 20.021 0.379 25404 4997 1 16 . 1 1 986 986 ALA H H 986 7.790 7.790 8.031 -0.241 25404 4998 1 16 . 1 1 987 987 SER N N 987 111.887 111.887 115.924 -4.037 25404 4999 1 16 . 1 1 987 987 SER HA H 987 4.730 4.730 4.433 0.297 25404 5000 1 16 . 1 1 987 987 SER C C 987 174.429 174.429 173.804 0.625 25404 5001 1 16 . 1 1 987 987 SER CA C 987 57.629 57.629 58.779 -1.150 25404 5002 1 16 . 1 1 987 987 SER CB C 987 64.309 64.309 63.410 0.899 25404 5003 1 16 . 1 1 987 987 SER H H 987 8.810 8.810 8.681 0.129 25404 5004 1 16 . 1 1 988 988 ASP N N 988 120.053 120.053 122.301 -2.248 25404 5005 1 16 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.572 0.363 25404 5006 1 16 . 1 1 988 988 ASP C C 988 173.389 173.389 175.903 -2.514 25404 5007 1 16 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.281 -0.868 25404 5008 1 16 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.814 -0.654 25404 5009 1 16 . 1 1 988 988 ASP H H 988 7.933 7.933 7.956 -0.023 25404 5010 1 16 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.456 -0.136 25404 5011 1 16 . 1 1 989 989 PRO C C 989 179.464 179.464 178.091 1.373 25404 5012 1 16 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.755 1.001 25404 5013 1 16 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.814 0.828 25404 5014 1 16 . 1 1 990 990 ASP N N 990 118.727 118.727 117.408 1.319 25404 5015 1 16 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.649 -0.062 25404 5016 1 16 . 1 1 990 990 ASP C C 990 178.185 178.185 178.746 -0.561 25404 5017 1 16 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.141 0.986 25404 5018 1 16 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.920 0.270 25404 5019 1 16 . 1 1 990 990 ASP H H 990 8.418 8.418 8.828 -0.410 25404 5020 1 16 . 1 1 991 991 SER N N 991 121.204 121.204 116.355 4.849 25404 5021 1 16 . 1 1 991 991 SER HA H 991 4.278 4.278 4.278 -0.000 25404 5022 1 16 . 1 1 991 991 SER CA C 991 64.100 64.100 61.376 2.724 25404 5023 1 16 . 1 1 991 991 SER CB C 991 62.832 62.832 63.104 -0.272 25404 5024 1 16 . 1 1 991 991 SER H H 991 8.093 8.093 7.769 0.324 25404 5025 1 16 . 1 1 992 992 GLN N N 992 119.137 119.137 120.534 -1.397 25404 5026 1 16 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.076 0.208 25404 5027 1 16 . 1 1 992 992 GLN C C 992 179.621 179.621 178.610 1.011 25404 5028 1 16 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.800 0.870 25404 5029 1 16 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.408 0.322 25404 5030 1 16 . 1 1 992 992 GLN H H 992 8.131 8.131 7.957 0.174 25404 5031 1 16 . 1 1 993 993 ARG N N 993 122.037 122.037 120.315 1.722 25404 5032 1 16 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.116 0.058 25404 5033 1 16 . 1 1 993 993 ARG C C 993 179.465 179.465 178.869 0.596 25404 5034 1 16 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.476 0.416 25404 5035 1 16 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.273 0.019 25404 5036 1 16 . 1 1 993 993 ARG H H 993 8.345 8.345 8.115 0.230 25404 5037 1 16 . 1 1 994 994 TYR N N 994 122.855 122.855 121.431 1.424 25404 5038 1 16 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.386 0.214 25404 5039 1 16 . 1 1 994 994 TYR C C 994 176.468 176.468 177.538 -1.070 25404 5040 1 16 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.484 2.194 25404 5041 1 16 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.405 0.895 25404 5042 1 16 . 1 1 994 994 TYR H H 994 9.285 9.285 8.400 0.885 25404 5043 1 16 . 1 1 995 995 ASN N N 995 117.831 117.831 117.720 0.111 25404 5044 1 16 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.203 0.346 25404 5045 1 16 . 1 1 995 995 ASN C C 995 178.763 178.763 177.702 1.061 25404 5046 1 16 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.634 0.308 25404 5047 1 16 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.229 0.211 25404 5048 1 16 . 1 1 995 995 ASN H H 995 8.678 8.678 8.287 0.391 25404 5049 1 16 . 1 1 996 996 ALA N N 996 122.157 122.157 123.864 -1.707 25404 5050 1 16 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.133 0.237 25404 5051 1 16 . 1 1 996 996 ALA C C 996 179.848 179.848 179.085 0.763 25404 5052 1 16 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.810 0.507 25404 5053 1 16 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.540 0.151 25404 5054 1 16 . 1 1 996 996 ALA H H 996 7.984 7.984 8.079 -0.095 25404 5055 1 16 . 1 1 997 997 TRP N N 997 123.610 123.610 121.548 2.062 25404 5056 1 16 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.184 0.197 25404 5057 1 16 . 1 1 997 997 TRP C C 997 178.383 178.383 177.858 0.525 25404 5058 1 16 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.285 -0.103 25404 5059 1 16 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.140 0.160 25404 5060 1 16 . 1 1 997 997 TRP H H 997 8.760 8.760 8.409 0.351 25404 5061 1 16 . 1 1 998 998 LEU N N 998 120.247 120.247 118.784 1.463 25404 5062 1 16 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.444 0.126 25404 5063 1 16 . 1 1 998 998 LEU C C 998 180.003 180.003 178.930 1.073 25404 5064 1 16 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.863 0.060 25404 5065 1 16 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.292 1.308 25404 5066 1 16 . 1 1 998 998 LEU H H 998 9.030 9.030 8.114 0.916 25404 5067 1 16 . 1 1 999 999 GLU N N 999 118.449 118.449 120.303 -1.854 25404 5068 1 16 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.910 0.156 25404 5069 1 16 . 1 1 999 999 GLU C C 999 178.785 178.785 179.133 -0.348 25404 5070 1 16 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.573 -0.100 25404 5071 1 16 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.592 0.268 25404 5072 1 16 . 1 1 999 999 GLU H H 999 7.574 7.574 7.606 -0.032 25404 5073 1 17 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.465 -0.065 25404 5074 1 17 . 1 1 946 946 ALA C C 946 177.730 177.730 177.979 -0.249 25404 5075 1 17 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.800 1.145 25404 5076 1 17 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.769 0.001 25404 5077 1 17 . 1 1 946 946 ALA H H 946 8.480 8.480 8.299 0.181 25404 5078 1 17 . 1 1 947 947 MET N N 947 119.619 119.619 120.968 -1.349 25404 5079 1 17 . 1 1 947 947 MET HA H 947 4.520 4.520 4.131 0.389 25404 5080 1 17 . 1 1 947 947 MET C C 947 175.878 175.878 177.911 -2.033 25404 5081 1 17 . 1 1 947 947 MET CA C 947 55.676 55.676 57.046 -1.370 25404 5082 1 17 . 1 1 947 947 MET CB C 947 33.450 33.450 32.623 0.827 25404 5083 1 17 . 1 1 947 947 MET H H 947 8.468 8.468 8.159 0.309 25404 5084 1 17 . 1 1 948 948 ALA N N 948 125.737 125.737 124.498 1.239 25404 5085 1 17 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.161 0.006 25404 5086 1 17 . 1 1 948 948 ALA C C 948 177.203 177.203 178.219 -1.016 25404 5087 1 17 . 1 1 948 948 ALA CA C 948 52.810 52.810 53.988 -1.178 25404 5088 1 17 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.465 1.057 25404 5089 1 17 . 1 1 948 948 ALA H H 948 8.432 8.432 7.977 0.455 25404 5090 1 17 . 1 1 949 949 ILE N N 949 119.982 119.982 110.885 9.097 25404 5091 1 17 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.403 -0.203 25404 5092 1 17 . 1 1 949 949 ILE C C 949 175.237 175.237 174.020 1.217 25404 5093 1 17 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.133 1.267 25404 5094 1 17 . 1 1 949 949 ILE CB C 949 39.460 39.460 40.606 -1.146 25404 5095 1 17 . 1 1 949 949 ILE H H 949 8.049 8.049 7.506 0.543 25404 5096 1 17 . 1 1 950 950 ALA N N 950 127.463 127.463 124.502 2.961 25404 5097 1 17 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.481 0.029 25404 5098 1 17 . 1 1 950 950 ALA C C 950 176.693 176.693 177.198 -0.505 25404 5099 1 17 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.790 0.301 25404 5100 1 17 . 1 1 950 950 ALA CB C 950 20.060 20.060 19.400 0.660 25404 5101 1 17 . 1 1 950 950 ALA H H 950 8.286 8.286 8.288 -0.002 25404 5102 1 17 . 1 1 951 951 LEU N N 951 120.899 120.899 120.831 0.068 25404 5103 1 17 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.425 0.175 25404 5104 1 17 . 1 1 951 951 LEU C C 951 177.680 177.680 176.750 0.930 25404 5105 1 17 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.834 -0.233 25404 5106 1 17 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.660 1.540 25404 5107 1 17 . 1 1 951 951 LEU H H 951 8.098 8.098 7.719 0.379 25404 5108 1 17 . 1 1 952 952 ARG N N 952 122.793 122.793 121.417 1.376 25404 5109 1 17 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.443 0.114 25404 5110 1 17 . 1 1 952 952 ARG C C 952 177.543 177.543 176.880 0.663 25404 5111 1 17 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.648 0.628 25404 5112 1 17 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.385 1.445 25404 5113 1 17 . 1 1 952 952 ARG H H 952 9.312 9.312 8.194 1.118 25404 5114 1 17 . 1 1 953 953 ASP N N 953 122.129 122.129 121.485 0.644 25404 5115 1 17 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.406 0.084 25404 5116 1 17 . 1 1 953 953 ASP C C 953 177.472 177.472 178.224 -0.752 25404 5117 1 17 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.159 -0.073 25404 5118 1 17 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.285 0.195 25404 5119 1 17 . 1 1 953 953 ASP H H 953 8.959 8.959 8.849 0.110 25404 5120 1 17 . 1 1 954 954 ASP N N 954 116.531 116.531 118.608 -2.077 25404 5121 1 17 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.458 0.172 25404 5122 1 17 . 1 1 954 954 ASP C C 954 178.707 178.707 178.464 0.243 25404 5123 1 17 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.306 -0.405 25404 5124 1 17 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.059 0.041 25404 5125 1 17 . 1 1 954 954 ASP H H 954 8.776 8.776 8.602 0.174 25404 5126 1 17 . 1 1 955 955 GLU N N 955 121.514 121.514 119.904 1.610 25404 5127 1 17 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.198 0.352 25404 5128 1 17 . 1 1 955 955 GLU C C 955 177.302 177.302 178.841 -1.539 25404 5129 1 17 . 1 1 955 955 GLU CA C 955 59.319 59.319 58.930 0.389 25404 5130 1 17 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.204 2.636 25404 5131 1 17 . 1 1 955 955 GLU H H 955 7.692 7.692 8.633 -0.941 25404 5132 1 17 . 1 1 956 956 TYR N N 956 120.780 120.780 121.409 -0.629 25404 5133 1 17 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.177 0.113 25404 5134 1 17 . 1 1 956 956 TYR C C 956 177.098 177.098 177.406 -0.308 25404 5135 1 17 . 1 1 956 956 TYR CA C 956 62.950 62.950 62.081 0.869 25404 5136 1 17 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.564 -0.152 25404 5137 1 17 . 1 1 956 956 TYR H H 956 8.425 8.425 8.992 -0.567 25404 5138 1 17 . 1 1 957 957 ASP N N 957 118.102 118.102 118.769 -0.667 25404 5139 1 17 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.332 0.038 25404 5140 1 17 . 1 1 957 957 ASP C C 957 177.919 177.919 178.450 -0.531 25404 5141 1 17 . 1 1 957 957 ASP CA C 957 57.654 57.654 56.984 0.670 25404 5142 1 17 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.475 0.056 25404 5143 1 17 . 1 1 957 957 ASP H H 957 8.169 8.169 7.968 0.201 25404 5144 1 17 . 1 1 958 958 GLU N N 958 121.150 121.150 121.257 -0.107 25404 5145 1 17 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.211 -0.151 25404 5146 1 17 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.254 1.856 25404 5147 1 17 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.516 1.314 25404 5148 1 17 . 1 1 958 958 GLU H H 958 7.782 7.782 7.721 0.061 25404 5149 1 17 . 1 1 959 959 TRP N N 959 120.489 120.489 122.296 -1.807 25404 5150 1 17 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.844 -0.475 25404 5151 1 17 . 1 1 959 959 TRP C C 959 176.651 176.651 178.014 -1.363 25404 5152 1 17 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.002 -2.212 25404 5153 1 17 . 1 1 959 959 TRP CB C 959 27.770 27.770 28.947 -1.177 25404 5154 1 17 . 1 1 959 959 TRP H H 959 8.089 8.089 8.340 -0.251 25404 5155 1 17 . 1 1 960 960 GLN N N 960 113.509 113.509 116.692 -3.183 25404 5156 1 17 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.272 -0.152 25404 5157 1 17 . 1 1 960 960 GLN C C 960 179.089 179.089 178.538 0.551 25404 5158 1 17 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.564 -0.233 25404 5159 1 17 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.528 0.942 25404 5160 1 17 . 1 1 960 960 GLN H H 960 7.946 7.946 7.855 0.091 25404 5161 1 17 . 1 1 961 961 ASP N N 961 120.534 120.534 120.837 -0.303 25404 5162 1 17 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.330 0.190 25404 5163 1 17 . 1 1 961 961 ASP C C 961 177.660 177.660 178.668 -1.008 25404 5164 1 17 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.206 0.253 25404 5165 1 17 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.428 -0.058 25404 5166 1 17 . 1 1 961 961 ASP H H 961 8.253 8.253 8.103 0.150 25404 5167 1 17 . 1 1 962 962 ILE N N 962 124.280 124.280 120.665 3.615 25404 5168 1 17 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.906 0.164 25404 5169 1 17 . 1 1 962 962 ILE C C 962 177.301 177.301 176.720 0.581 25404 5170 1 17 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.210 2.890 25404 5171 1 17 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.782 -1.012 25404 5172 1 17 . 1 1 962 962 ILE H H 962 8.600 8.600 7.680 0.920 25404 5173 1 17 . 1 1 963 963 ILE N N 963 121.368 121.368 121.024 0.344 25404 5174 1 17 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.605 0.255 25404 5175 1 17 . 1 1 963 963 ILE C C 963 179.751 179.751 177.859 1.892 25404 5176 1 17 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.380 -0.271 25404 5177 1 17 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.460 1.030 25404 5178 1 17 . 1 1 963 963 ILE H H 963 7.377 7.377 7.433 -0.056 25404 5179 1 17 . 1 1 964 964 ARG N N 964 119.627 119.627 118.953 0.674 25404 5180 1 17 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.848 0.222 25404 5181 1 17 . 1 1 964 964 ARG C C 964 179.065 179.065 178.881 0.184 25404 5182 1 17 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.457 -0.303 25404 5183 1 17 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.882 0.918 25404 5184 1 17 . 1 1 964 964 ARG H H 964 7.209 7.209 7.750 -0.541 25404 5185 1 17 . 1 1 965 965 ASP N N 965 119.847 119.847 120.923 -1.076 25404 5186 1 17 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.256 0.364 25404 5187 1 17 . 1 1 965 965 ASP C C 965 178.787 178.787 177.150 1.637 25404 5188 1 17 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.672 0.745 25404 5189 1 17 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.195 0.420 25404 5190 1 17 . 1 1 965 965 ASP H H 965 9.098 9.098 7.629 1.469 25404 5191 1 17 . 1 1 966 966 TRP N N 966 118.678 118.678 117.393 1.285 25404 5192 1 17 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.581 0.159 25404 5193 1 17 . 1 1 966 966 TRP C C 966 176.094 176.094 176.349 -0.255 25404 5194 1 17 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.866 -0.023 25404 5195 1 17 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.738 -1.139 25404 5196 1 17 . 1 1 966 966 TRP H H 966 9.253 9.253 7.430 1.823 25404 5197 1 17 . 1 1 967 967 ARG N N 967 116.998 116.998 114.520 2.478 25404 5198 1 17 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.820 0.210 25404 5199 1 17 . 1 1 967 967 ARG C C 967 174.965 174.965 175.199 -0.234 25404 5200 1 17 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.471 -0.465 25404 5201 1 17 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.470 -0.504 25404 5202 1 17 . 1 1 967 967 ARG H H 967 7.762 7.762 7.696 0.066 25404 5203 1 17 . 1 1 968 968 LYS N N 968 117.708 117.708 117.493 0.215 25404 5204 1 17 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.605 0.035 25404 5205 1 17 . 1 1 968 968 LYS C C 968 174.258 174.258 174.325 -0.067 25404 5206 1 17 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.395 0.843 25404 5207 1 17 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.266 0.848 25404 5208 1 17 . 1 1 968 968 LYS H H 968 7.462 7.462 7.611 -0.149 25404 5209 1 17 . 1 1 969 969 GLU N N 969 123.352 123.352 122.576 0.776 25404 5210 1 17 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.372 -0.205 25404 5211 1 17 . 1 1 969 969 GLU C C 969 175.962 175.962 175.591 0.371 25404 5212 1 17 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.338 0.808 25404 5213 1 17 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.343 -0.843 25404 5214 1 17 . 1 1 969 969 GLU H H 969 8.559 8.559 8.518 0.041 25404 5215 1 17 . 1 1 970 970 MET N N 970 121.247 121.247 122.171 -0.924 25404 5216 1 17 . 1 1 970 970 MET HA H 970 4.920 4.920 4.944 -0.024 25404 5217 1 17 . 1 1 970 970 MET C C 970 176.884 176.884 175.247 1.637 25404 5218 1 17 . 1 1 970 970 MET CA C 970 55.546 55.546 53.315 2.231 25404 5219 1 17 . 1 1 970 970 MET CB C 970 36.772 36.772 36.105 0.667 25404 5220 1 17 . 1 1 970 970 MET H H 970 7.314 7.314 8.080 -0.766 25404 5221 1 17 . 1 1 971 971 THR N N 971 118.284 118.284 112.939 5.345 25404 5222 1 17 . 1 1 971 971 THR HA H 971 4.740 4.740 4.551 0.189 25404 5223 1 17 . 1 1 971 971 THR C C 971 175.112 175.112 175.453 -0.341 25404 5224 1 17 . 1 1 971 971 THR CA C 971 61.582 61.582 61.921 -0.339 25404 5225 1 17 . 1 1 971 971 THR CB C 971 71.203 71.203 69.687 1.516 25404 5226 1 17 . 1 1 971 971 THR H H 971 9.129 9.129 8.366 0.763 25404 5227 1 17 . 1 1 972 972 VAL N N 972 121.240 121.240 121.594 -0.354 25404 5228 1 17 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.083 -0.353 25404 5229 1 17 . 1 1 972 972 VAL C C 972 177.014 177.014 177.878 -0.864 25404 5230 1 17 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.867 1.243 25404 5231 1 17 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.004 0.296 25404 5232 1 17 . 1 1 972 972 VAL H H 972 8.745 8.745 8.244 0.501 25404 5233 1 17 . 1 1 973 973 GLN N N 973 117.672 117.672 118.435 -0.763 25404 5234 1 17 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.958 -0.128 25404 5235 1 17 . 1 1 973 973 GLN C C 973 178.206 178.206 178.227 -0.021 25404 5236 1 17 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.208 0.272 25404 5237 1 17 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.033 0.887 25404 5238 1 17 . 1 1 973 973 GLN H H 973 8.179 8.179 8.530 -0.351 25404 5239 1 17 . 1 1 974 974 GLN N N 974 118.023 118.023 118.647 -0.624 25404 5240 1 17 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.047 0.043 25404 5241 1 17 . 1 1 974 974 GLN C C 974 179.457 179.457 178.311 1.146 25404 5242 1 17 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.822 0.301 25404 5243 1 17 . 1 1 974 974 GLN CB C 974 29.150 29.150 27.992 1.158 25404 5244 1 17 . 1 1 974 974 GLN H H 974 7.797 7.797 7.699 0.098 25404 5245 1 17 . 1 1 975 975 PHE N N 975 121.801 121.801 120.791 1.010 25404 5246 1 17 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.215 0.135 25404 5247 1 17 . 1 1 975 975 PHE C C 975 175.313 175.313 177.106 -1.793 25404 5248 1 17 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.032 -0.059 25404 5249 1 17 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.917 0.798 25404 5250 1 17 . 1 1 975 975 PHE H H 975 8.290 8.290 7.426 0.864 25404 5251 1 17 . 1 1 976 976 LEU N N 976 119.703 119.703 119.657 0.046 25404 5252 1 17 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.644 -0.120 25404 5253 1 17 . 1 1 976 976 LEU C C 976 180.091 180.091 178.694 1.397 25404 5254 1 17 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.082 -0.068 25404 5255 1 17 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.391 1.036 25404 5256 1 17 . 1 1 976 976 LEU H H 976 8.538 8.538 8.141 0.397 25404 5257 1 17 . 1 1 977 977 ASP N N 977 119.392 119.392 119.873 -0.481 25404 5258 1 17 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.340 -0.030 25404 5259 1 17 . 1 1 977 977 ASP C C 977 178.035 178.035 178.758 -0.723 25404 5260 1 17 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.824 0.620 25404 5261 1 17 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.847 0.255 25404 5262 1 17 . 1 1 977 977 ASP H H 977 8.274 8.274 7.922 0.352 25404 5263 1 17 . 1 1 978 978 LEU N N 978 122.575 122.575 120.939 1.636 25404 5264 1 17 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.863 0.087 25404 5265 1 17 . 1 1 978 978 LEU C C 978 176.975 176.975 178.002 -1.027 25404 5266 1 17 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.951 0.439 25404 5267 1 17 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.801 0.299 25404 5268 1 17 . 1 1 978 978 LEU H H 978 7.648 7.648 8.132 -0.484 25404 5269 1 17 . 1 1 979 979 LYS N N 979 118.441 118.441 118.213 0.228 25404 5270 1 17 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.483 -0.303 25404 5271 1 17 . 1 1 979 979 LYS C C 979 177.972 177.972 177.990 -0.018 25404 5272 1 17 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.245 0.915 25404 5273 1 17 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.330 1.270 25404 5274 1 17 . 1 1 979 979 LYS H H 979 7.958 7.958 8.026 -0.068 25404 5275 1 17 . 1 1 980 980 GLU N N 980 117.008 117.008 120.639 -3.631 25404 5276 1 17 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.884 0.076 25404 5277 1 17 . 1 1 980 980 GLU C C 980 180.050 180.050 179.141 0.909 25404 5278 1 17 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.595 0.063 25404 5279 1 17 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.416 0.268 25404 5280 1 17 . 1 1 980 980 GLU H H 980 7.994 7.994 8.013 -0.019 25404 5281 1 17 . 1 1 981 981 ARG N N 981 119.530 119.530 118.209 1.321 25404 5282 1 17 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.029 0.151 25404 5283 1 17 . 1 1 981 981 ARG C C 981 179.556 179.556 178.638 0.918 25404 5284 1 17 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.553 -1.623 25404 5285 1 17 . 1 1 981 981 ARG CB C 981 29.750 29.750 29.846 -0.096 25404 5286 1 17 . 1 1 981 981 ARG H H 981 8.159 8.159 7.877 0.282 25404 5287 1 17 . 1 1 982 982 ALA N N 982 126.163 126.163 122.919 3.244 25404 5288 1 17 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.133 0.117 25404 5289 1 17 . 1 1 982 982 ALA C C 982 182.415 182.415 180.419 1.996 25404 5290 1 17 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.901 1.516 25404 5291 1 17 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.531 1.079 25404 5292 1 17 . 1 1 982 982 ALA H H 982 8.947 8.947 8.149 0.798 25404 5293 1 17 . 1 1 983 983 LEU N N 983 119.414 119.414 119.485 -0.071 25404 5294 1 17 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.176 0.254 25404 5295 1 17 . 1 1 983 983 LEU C C 983 178.652 178.652 178.879 -0.227 25404 5296 1 17 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.226 0.350 25404 5297 1 17 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.739 -0.369 25404 5298 1 17 . 1 1 983 983 LEU H H 983 8.638 8.638 8.678 -0.040 25404 5299 1 17 . 1 1 984 984 SER N N 984 113.275 113.275 113.761 -0.486 25404 5300 1 17 . 1 1 984 984 SER HA H 984 4.690 4.690 4.394 0.296 25404 5301 1 17 . 1 1 984 984 SER C C 984 174.726 174.726 175.315 -0.589 25404 5302 1 17 . 1 1 984 984 SER CA C 984 59.300 59.300 58.741 0.559 25404 5303 1 17 . 1 1 984 984 SER CB C 984 64.400 64.400 63.702 0.698 25404 5304 1 17 . 1 1 984 984 SER H H 984 7.736 7.736 7.888 -0.152 25404 5305 1 17 . 1 1 985 985 GLY N N 985 108.346 108.346 109.272 -0.926 25404 5306 1 17 . 1 1 985 985 GLY C C 985 174.740 174.740 173.931 0.809 25404 5307 1 17 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.761 1.002 25404 5308 1 17 . 1 1 985 985 GLY H H 985 7.880 7.880 7.658 0.222 25404 5309 1 17 . 1 1 986 986 ALA N N 986 123.024 123.024 123.136 -0.112 25404 5310 1 17 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.315 0.075 25404 5311 1 17 . 1 1 986 986 ALA C C 986 177.887 177.887 177.304 0.583 25404 5312 1 17 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.861 1.953 25404 5313 1 17 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.602 0.798 25404 5314 1 17 . 1 1 986 986 ALA H H 986 7.790 7.790 7.986 -0.196 25404 5315 1 17 . 1 1 987 987 SER N N 987 111.887 111.887 115.383 -3.496 25404 5316 1 17 . 1 1 987 987 SER HA H 987 4.730 4.730 4.505 0.225 25404 5317 1 17 . 1 1 987 987 SER C C 987 174.429 174.429 174.045 0.384 25404 5318 1 17 . 1 1 987 987 SER CA C 987 57.629 57.629 58.311 -0.682 25404 5319 1 17 . 1 1 987 987 SER CB C 987 64.309 64.309 63.437 0.872 25404 5320 1 17 . 1 1 987 987 SER H H 987 8.810 8.810 8.568 0.242 25404 5321 1 17 . 1 1 988 988 ASP N N 988 120.053 120.053 125.107 -5.054 25404 5322 1 17 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.636 0.299 25404 5323 1 17 . 1 1 988 988 ASP C C 988 173.389 173.389 176.135 -2.746 25404 5324 1 17 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.530 -1.117 25404 5325 1 17 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.949 -0.789 25404 5326 1 17 . 1 1 988 988 ASP H H 988 7.933 7.933 7.954 -0.021 25404 5327 1 17 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.196 0.124 25404 5328 1 17 . 1 1 989 989 PRO C C 989 179.464 179.464 178.183 1.281 25404 5329 1 17 . 1 1 989 989 PRO CA C 989 66.756 66.756 66.006 0.750 25404 5330 1 17 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.916 0.726 25404 5331 1 17 . 1 1 990 990 ASP N N 990 118.727 118.727 118.447 0.280 25404 5332 1 17 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.426 0.161 25404 5333 1 17 . 1 1 990 990 ASP C C 990 178.185 178.185 178.798 -0.613 25404 5334 1 17 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.180 0.947 25404 5335 1 17 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.616 0.574 25404 5336 1 17 . 1 1 990 990 ASP H H 990 8.418 8.418 8.666 -0.248 25404 5337 1 17 . 1 1 991 991 SER N N 991 121.204 121.204 115.630 5.574 25404 5338 1 17 . 1 1 991 991 SER HA H 991 4.278 4.278 4.274 0.004 25404 5339 1 17 . 1 1 991 991 SER CA C 991 64.100 64.100 61.959 2.141 25404 5340 1 17 . 1 1 991 991 SER CB C 991 62.832 62.832 62.976 -0.144 25404 5341 1 17 . 1 1 991 991 SER H H 991 8.093 8.093 8.180 -0.087 25404 5342 1 17 . 1 1 992 992 GLN N N 992 119.137 119.137 120.423 -1.286 25404 5343 1 17 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.089 0.195 25404 5344 1 17 . 1 1 992 992 GLN C C 992 179.621 179.621 178.407 1.214 25404 5345 1 17 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.804 0.866 25404 5346 1 17 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.277 0.453 25404 5347 1 17 . 1 1 992 992 GLN H H 992 8.131 8.131 8.366 -0.235 25404 5348 1 17 . 1 1 993 993 ARG N N 993 122.037 122.037 120.697 1.340 25404 5349 1 17 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.150 0.024 25404 5350 1 17 . 1 1 993 993 ARG C C 993 179.465 179.465 178.899 0.566 25404 5351 1 17 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.664 0.228 25404 5352 1 17 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.322 -0.030 25404 5353 1 17 . 1 1 993 993 ARG H H 993 8.345 8.345 8.204 0.141 25404 5354 1 17 . 1 1 994 994 TYR N N 994 122.855 122.855 121.752 1.103 25404 5355 1 17 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.502 0.098 25404 5356 1 17 . 1 1 994 994 TYR C C 994 176.468 176.468 177.417 -0.949 25404 5357 1 17 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.812 1.866 25404 5358 1 17 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.483 0.817 25404 5359 1 17 . 1 1 994 994 TYR H H 994 9.285 9.285 8.542 0.743 25404 5360 1 17 . 1 1 995 995 ASN N N 995 117.831 117.831 117.908 -0.077 25404 5361 1 17 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.177 0.372 25404 5362 1 17 . 1 1 995 995 ASN C C 995 178.763 178.763 177.615 1.148 25404 5363 1 17 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.237 0.705 25404 5364 1 17 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.506 -0.066 25404 5365 1 17 . 1 1 995 995 ASN H H 995 8.678 8.678 8.345 0.333 25404 5366 1 17 . 1 1 996 996 ALA N N 996 122.157 122.157 124.200 -2.043 25404 5367 1 17 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.112 0.258 25404 5368 1 17 . 1 1 996 996 ALA C C 996 179.848 179.848 178.859 0.989 25404 5369 1 17 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.954 0.363 25404 5370 1 17 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.536 0.154 25404 5371 1 17 . 1 1 996 996 ALA H H 996 7.984 7.984 8.246 -0.262 25404 5372 1 17 . 1 1 997 997 TRP N N 997 123.610 123.610 121.438 2.172 25404 5373 1 17 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.190 0.191 25404 5374 1 17 . 1 1 997 997 TRP C C 997 178.383 178.383 177.784 0.599 25404 5375 1 17 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.242 -0.060 25404 5376 1 17 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.097 0.203 25404 5377 1 17 . 1 1 997 997 TRP H H 997 8.760 8.760 8.454 0.306 25404 5378 1 17 . 1 1 998 998 LEU N N 998 120.247 120.247 118.219 2.028 25404 5379 1 17 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.389 0.181 25404 5380 1 17 . 1 1 998 998 LEU C C 998 180.003 180.003 178.740 1.263 25404 5381 1 17 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.965 -0.042 25404 5382 1 17 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.340 1.260 25404 5383 1 17 . 1 1 998 998 LEU H H 998 9.030 9.030 7.970 1.060 25404 5384 1 17 . 1 1 999 999 GLU N N 999 118.449 118.449 120.349 -1.900 25404 5385 1 17 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.943 0.123 25404 5386 1 17 . 1 1 999 999 GLU C C 999 178.785 178.785 179.115 -0.330 25404 5387 1 17 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.578 -0.105 25404 5388 1 17 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.672 0.188 25404 5389 1 17 . 1 1 999 999 GLU H H 999 7.574 7.574 7.638 -0.064 25404 5390 1 18 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.547 -0.147 25404 5391 1 18 . 1 1 946 946 ALA C C 946 177.730 177.730 176.566 1.164 25404 5392 1 18 . 1 1 946 946 ALA CA C 946 52.945 52.945 51.966 0.979 25404 5393 1 18 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.695 0.075 25404 5394 1 18 . 1 1 946 946 ALA H H 946 8.480 8.480 7.975 0.505 25404 5395 1 18 . 1 1 947 947 MET N N 947 119.619 119.619 119.749 -0.130 25404 5396 1 18 . 1 1 947 947 MET HA H 947 4.520 4.520 4.344 0.176 25404 5397 1 18 . 1 1 947 947 MET C C 947 175.878 175.878 176.159 -0.281 25404 5398 1 18 . 1 1 947 947 MET CA C 947 55.676 55.676 56.207 -0.531 25404 5399 1 18 . 1 1 947 947 MET CB C 947 33.450 33.450 32.658 0.792 25404 5400 1 18 . 1 1 947 947 MET H H 947 8.468 8.468 8.332 0.136 25404 5401 1 18 . 1 1 948 948 ALA N N 948 125.737 125.737 122.119 3.618 25404 5402 1 18 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.284 -0.117 25404 5403 1 18 . 1 1 948 948 ALA C C 948 177.203 177.203 178.159 -0.956 25404 5404 1 18 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.371 0.439 25404 5405 1 18 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.593 -0.071 25404 5406 1 18 . 1 1 948 948 ALA H H 948 8.432 8.432 7.670 0.762 25404 5407 1 18 . 1 1 949 949 ILE N N 949 119.982 119.982 116.647 3.335 25404 5408 1 18 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.158 0.042 25404 5409 1 18 . 1 1 949 949 ILE C C 949 175.237 175.237 176.887 -1.650 25404 5410 1 18 . 1 1 949 949 ILE CA C 949 61.400 61.400 60.664 0.736 25404 5411 1 18 . 1 1 949 949 ILE CB C 949 39.460 39.460 36.285 3.175 25404 5412 1 18 . 1 1 949 949 ILE H H 949 8.049 8.049 8.621 -0.572 25404 5413 1 18 . 1 1 950 950 ALA N N 950 127.463 127.463 122.128 5.335 25404 5414 1 18 . 1 1 950 950 ALA HA H 950 4.510 4.510 3.966 0.544 25404 5415 1 18 . 1 1 950 950 ALA C C 950 176.693 176.693 176.995 -0.302 25404 5416 1 18 . 1 1 950 950 ALA CA C 950 52.091 52.091 54.269 -2.178 25404 5417 1 18 . 1 1 950 950 ALA CB C 950 20.060 20.060 17.359 2.701 25404 5418 1 18 . 1 1 950 950 ALA H H 950 8.286 8.286 8.277 0.009 25404 5419 1 18 . 1 1 951 951 LEU N N 951 120.899 120.899 122.300 -1.401 25404 5420 1 18 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.681 -0.081 25404 5421 1 18 . 1 1 951 951 LEU C C 951 177.680 177.680 177.018 0.662 25404 5422 1 18 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.544 0.057 25404 5423 1 18 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.795 1.405 25404 5424 1 18 . 1 1 951 951 LEU H H 951 8.098 8.098 8.064 0.034 25404 5425 1 18 . 1 1 952 952 ARG N N 952 122.793 122.793 122.464 0.329 25404 5426 1 18 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.406 0.151 25404 5427 1 18 . 1 1 952 952 ARG C C 952 177.543 177.543 177.226 0.317 25404 5428 1 18 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.592 0.684 25404 5429 1 18 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.307 1.523 25404 5430 1 18 . 1 1 952 952 ARG H H 952 9.312 9.312 8.509 0.803 25404 5431 1 18 . 1 1 953 953 ASP N N 953 122.129 122.129 120.656 1.473 25404 5432 1 18 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.367 0.123 25404 5433 1 18 . 1 1 953 953 ASP C C 953 177.472 177.472 178.046 -0.574 25404 5434 1 18 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.457 -0.371 25404 5435 1 18 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.546 -0.066 25404 5436 1 18 . 1 1 953 953 ASP H H 953 8.959 8.959 8.849 0.110 25404 5437 1 18 . 1 1 954 954 ASP N N 954 116.531 116.531 118.168 -1.637 25404 5438 1 18 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.458 0.172 25404 5439 1 18 . 1 1 954 954 ASP C C 954 178.707 178.707 178.820 -0.113 25404 5440 1 18 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.313 -0.412 25404 5441 1 18 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.152 -0.052 25404 5442 1 18 . 1 1 954 954 ASP H H 954 8.776 8.776 8.638 0.138 25404 5443 1 18 . 1 1 955 955 GLU N N 955 121.514 121.514 120.449 1.065 25404 5444 1 18 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.250 0.300 25404 5445 1 18 . 1 1 955 955 GLU C C 955 177.302 177.302 178.852 -1.550 25404 5446 1 18 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.239 0.080 25404 5447 1 18 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.553 2.287 25404 5448 1 18 . 1 1 955 955 GLU H H 955 7.692 7.692 8.433 -0.741 25404 5449 1 18 . 1 1 956 956 TYR N N 956 120.780 120.780 121.155 -0.375 25404 5450 1 18 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.185 0.105 25404 5451 1 18 . 1 1 956 956 TYR C C 956 177.098 177.098 177.385 -0.287 25404 5452 1 18 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.759 1.191 25404 5453 1 18 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.667 -0.255 25404 5454 1 18 . 1 1 956 956 TYR H H 956 8.425 8.425 8.933 -0.508 25404 5455 1 18 . 1 1 957 957 ASP N N 957 118.102 118.102 118.530 -0.428 25404 5456 1 18 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.387 -0.017 25404 5457 1 18 . 1 1 957 957 ASP C C 957 177.919 177.919 178.693 -0.774 25404 5458 1 18 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.376 0.279 25404 5459 1 18 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.517 0.014 25404 5460 1 18 . 1 1 957 957 ASP H H 957 8.169 8.169 8.010 0.159 25404 5461 1 18 . 1 1 958 958 GLU N N 958 121.150 121.150 120.478 0.672 25404 5462 1 18 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.219 -0.159 25404 5463 1 18 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.139 1.971 25404 5464 1 18 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.752 1.078 25404 5465 1 18 . 1 1 958 958 GLU H H 958 7.782 7.782 7.613 0.169 25404 5466 1 18 . 1 1 959 959 TRP N N 959 120.489 120.489 122.201 -1.712 25404 5467 1 18 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.433 -0.064 25404 5468 1 18 . 1 1 959 959 TRP C C 959 176.651 176.651 177.652 -1.001 25404 5469 1 18 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.159 -2.368 25404 5470 1 18 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.019 -1.249 25404 5471 1 18 . 1 1 959 959 TRP H H 959 8.089 8.089 8.304 -0.215 25404 5472 1 18 . 1 1 960 960 GLN N N 960 113.509 113.509 116.837 -3.328 25404 5473 1 18 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.271 -0.151 25404 5474 1 18 . 1 1 960 960 GLN C C 960 179.089 179.089 178.509 0.580 25404 5475 1 18 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.589 -0.258 25404 5476 1 18 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.617 0.853 25404 5477 1 18 . 1 1 960 960 GLN H H 960 7.946 7.946 7.843 0.103 25404 5478 1 18 . 1 1 961 961 ASP N N 961 120.534 120.534 120.760 -0.226 25404 5479 1 18 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.350 0.170 25404 5480 1 18 . 1 1 961 961 ASP C C 961 177.660 177.660 178.669 -1.009 25404 5481 1 18 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.230 0.229 25404 5482 1 18 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.580 -0.209 25404 5483 1 18 . 1 1 961 961 ASP H H 961 8.253 8.253 7.973 0.280 25404 5484 1 18 . 1 1 962 962 ILE N N 962 124.280 124.280 121.056 3.224 25404 5485 1 18 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.146 -0.076 25404 5486 1 18 . 1 1 962 962 ILE C C 962 177.301 177.301 176.925 0.376 25404 5487 1 18 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.587 2.513 25404 5488 1 18 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.938 -1.168 25404 5489 1 18 . 1 1 962 962 ILE H H 962 8.600 8.600 7.708 0.892 25404 5490 1 18 . 1 1 963 963 ILE N N 963 121.368 121.368 120.987 0.381 25404 5491 1 18 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.571 0.289 25404 5492 1 18 . 1 1 963 963 ILE C C 963 179.751 179.751 177.847 1.904 25404 5493 1 18 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.346 -0.237 25404 5494 1 18 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.414 1.076 25404 5495 1 18 . 1 1 963 963 ILE H H 963 7.377 7.377 7.387 -0.010 25404 5496 1 18 . 1 1 964 964 ARG N N 964 119.627 119.627 119.047 0.580 25404 5497 1 18 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.776 0.294 25404 5498 1 18 . 1 1 964 964 ARG C C 964 179.065 179.065 177.992 1.073 25404 5499 1 18 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.400 -0.246 25404 5500 1 18 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.895 0.905 25404 5501 1 18 . 1 1 964 964 ARG H H 964 7.209 7.209 7.518 -0.309 25404 5502 1 18 . 1 1 965 965 ASP N N 965 119.847 119.847 118.808 1.039 25404 5503 1 18 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.151 0.469 25404 5504 1 18 . 1 1 965 965 ASP C C 965 178.787 178.787 177.933 0.854 25404 5505 1 18 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.446 0.971 25404 5506 1 18 . 1 1 965 965 ASP CB C 965 40.615 40.615 39.998 0.618 25404 5507 1 18 . 1 1 965 965 ASP H H 965 9.098 9.098 7.575 1.523 25404 5508 1 18 . 1 1 966 966 TRP N N 966 118.678 118.678 117.913 0.765 25404 5509 1 18 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.609 0.131 25404 5510 1 18 . 1 1 966 966 TRP C C 966 176.094 176.094 175.940 0.154 25404 5511 1 18 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.676 0.167 25404 5512 1 18 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.857 -1.257 25404 5513 1 18 . 1 1 966 966 TRP H H 966 9.253 9.253 7.345 1.908 25404 5514 1 18 . 1 1 967 967 ARG N N 967 116.998 116.998 115.044 1.954 25404 5515 1 18 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.855 0.175 25404 5516 1 18 . 1 1 967 967 ARG C C 967 174.965 174.965 175.391 -0.426 25404 5517 1 18 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.426 -0.420 25404 5518 1 18 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.383 -0.417 25404 5519 1 18 . 1 1 967 967 ARG H H 967 7.762 7.762 7.620 0.142 25404 5520 1 18 . 1 1 968 968 LYS N N 968 117.708 117.708 118.274 -0.566 25404 5521 1 18 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.571 0.069 25404 5522 1 18 . 1 1 968 968 LYS C C 968 174.258 174.258 174.409 -0.151 25404 5523 1 18 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.388 0.851 25404 5524 1 18 . 1 1 968 968 LYS CB C 968 36.114 36.114 35.575 0.539 25404 5525 1 18 . 1 1 968 968 LYS H H 968 7.462 7.462 7.562 -0.100 25404 5526 1 18 . 1 1 969 969 GLU N N 969 123.352 123.352 122.117 1.235 25404 5527 1 18 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.280 -0.113 25404 5528 1 18 . 1 1 969 969 GLU C C 969 175.962 175.962 175.428 0.534 25404 5529 1 18 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.908 0.238 25404 5530 1 18 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.261 -0.760 25404 5531 1 18 . 1 1 969 969 GLU H H 969 8.559 8.559 8.437 0.122 25404 5532 1 18 . 1 1 970 970 MET N N 970 121.247 121.247 121.207 0.040 25404 5533 1 18 . 1 1 970 970 MET HA H 970 4.920 4.920 4.882 0.038 25404 5534 1 18 . 1 1 970 970 MET C C 970 176.884 176.884 174.884 2.000 25404 5535 1 18 . 1 1 970 970 MET CA C 970 55.546 55.546 54.079 1.467 25404 5536 1 18 . 1 1 970 970 MET CB C 970 36.772 36.772 36.175 0.598 25404 5537 1 18 . 1 1 970 970 MET H H 970 7.314 7.314 7.855 -0.541 25404 5538 1 18 . 1 1 971 971 THR N N 971 118.284 118.284 111.172 7.112 25404 5539 1 18 . 1 1 971 971 THR HA H 971 4.740 4.740 4.722 0.018 25404 5540 1 18 . 1 1 971 971 THR C C 971 175.112 175.112 176.041 -0.929 25404 5541 1 18 . 1 1 971 971 THR CA C 971 61.582 61.582 60.853 0.729 25404 5542 1 18 . 1 1 971 971 THR CB C 971 71.203 71.203 70.379 0.824 25404 5543 1 18 . 1 1 971 971 THR H H 971 9.129 9.129 8.264 0.865 25404 5544 1 18 . 1 1 972 972 VAL N N 972 121.240 121.240 121.878 -0.638 25404 5545 1 18 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.147 -0.417 25404 5546 1 18 . 1 1 972 972 VAL C C 972 177.014 177.014 178.081 -1.067 25404 5547 1 18 . 1 1 972 972 VAL CA C 972 67.110 67.110 66.133 0.977 25404 5548 1 18 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.465 -0.165 25404 5549 1 18 . 1 1 972 972 VAL H H 972 8.745 8.745 8.387 0.357 25404 5550 1 18 . 1 1 973 973 GLN N N 973 117.672 117.672 118.631 -0.959 25404 5551 1 18 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.898 -0.068 25404 5552 1 18 . 1 1 973 973 GLN C C 973 178.206 178.206 178.250 -0.044 25404 5553 1 18 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.504 -0.024 25404 5554 1 18 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.254 0.666 25404 5555 1 18 . 1 1 973 973 GLN H H 973 8.179 8.179 8.529 -0.350 25404 5556 1 18 . 1 1 974 974 GLN N N 974 118.023 118.023 118.682 -0.659 25404 5557 1 18 . 1 1 974 974 GLN HA H 974 4.090 4.090 3.994 0.096 25404 5558 1 18 . 1 1 974 974 GLN C C 974 179.457 179.457 178.437 1.020 25404 5559 1 18 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.690 0.433 25404 5560 1 18 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.141 1.009 25404 5561 1 18 . 1 1 974 974 GLN H H 974 7.797 7.797 7.682 0.115 25404 5562 1 18 . 1 1 975 975 PHE N N 975 121.801 121.801 121.376 0.425 25404 5563 1 18 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.214 0.136 25404 5564 1 18 . 1 1 975 975 PHE C C 975 175.313 175.313 177.170 -1.857 25404 5565 1 18 . 1 1 975 975 PHE CA C 975 60.973 60.973 61.022 -0.049 25404 5566 1 18 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.272 0.443 25404 5567 1 18 . 1 1 975 975 PHE H H 975 8.290 8.290 7.677 0.613 25404 5568 1 18 . 1 1 976 976 LEU N N 976 119.703 119.703 120.451 -0.748 25404 5569 1 18 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.762 -0.238 25404 5570 1 18 . 1 1 976 976 LEU C C 976 180.091 180.091 178.638 1.453 25404 5571 1 18 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.361 0.653 25404 5572 1 18 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.535 0.891 25404 5573 1 18 . 1 1 976 976 LEU H H 976 8.538 8.538 8.508 0.030 25404 5574 1 18 . 1 1 977 977 ASP N N 977 119.392 119.392 119.933 -0.541 25404 5575 1 18 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.311 -0.001 25404 5576 1 18 . 1 1 977 977 ASP C C 977 178.035 178.035 178.545 -0.510 25404 5577 1 18 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.933 0.511 25404 5578 1 18 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.704 0.398 25404 5579 1 18 . 1 1 977 977 ASP H H 977 8.274 8.274 8.313 -0.039 25404 5580 1 18 . 1 1 978 978 LEU N N 978 122.575 122.575 120.844 1.731 25404 5581 1 18 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.891 0.059 25404 5582 1 18 . 1 1 978 978 LEU C C 978 176.975 176.975 177.784 -0.809 25404 5583 1 18 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.560 0.830 25404 5584 1 18 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.598 0.502 25404 5585 1 18 . 1 1 978 978 LEU H H 978 7.648 7.648 7.758 -0.110 25404 5586 1 18 . 1 1 979 979 LYS N N 979 118.441 118.441 118.289 0.152 25404 5587 1 18 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.513 -0.333 25404 5588 1 18 . 1 1 979 979 LYS C C 979 177.972 177.972 178.315 -0.343 25404 5589 1 18 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.518 0.642 25404 5590 1 18 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.367 1.232 25404 5591 1 18 . 1 1 979 979 LYS H H 979 7.958 7.958 7.784 0.174 25404 5592 1 18 . 1 1 980 980 GLU N N 980 117.008 117.008 120.625 -3.617 25404 5593 1 18 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.916 0.044 25404 5594 1 18 . 1 1 980 980 GLU C C 980 180.050 180.050 179.072 0.978 25404 5595 1 18 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.570 0.088 25404 5596 1 18 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.400 0.284 25404 5597 1 18 . 1 1 980 980 GLU H H 980 7.994 7.994 8.308 -0.314 25404 5598 1 18 . 1 1 981 981 ARG N N 981 119.530 119.530 118.909 0.621 25404 5599 1 18 . 1 1 981 981 ARG HA H 981 4.180 4.180 3.991 0.189 25404 5600 1 18 . 1 1 981 981 ARG C C 981 179.556 179.556 178.689 0.867 25404 5601 1 18 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.064 -2.134 25404 5602 1 18 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.147 -0.397 25404 5603 1 18 . 1 1 981 981 ARG H H 981 8.159 8.159 7.925 0.234 25404 5604 1 18 . 1 1 982 982 ALA N N 982 126.163 126.163 122.678 3.485 25404 5605 1 18 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.153 0.097 25404 5606 1 18 . 1 1 982 982 ALA C C 982 182.415 182.415 180.309 2.106 25404 5607 1 18 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.965 1.452 25404 5608 1 18 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.701 0.909 25404 5609 1 18 . 1 1 982 982 ALA H H 982 8.947 8.947 8.190 0.757 25404 5610 1 18 . 1 1 983 983 LEU N N 983 119.414 119.414 119.213 0.201 25404 5611 1 18 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.204 0.226 25404 5612 1 18 . 1 1 983 983 LEU C C 983 178.652 178.652 179.061 -0.409 25404 5613 1 18 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.127 0.449 25404 5614 1 18 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.618 -0.248 25404 5615 1 18 . 1 1 983 983 LEU H H 983 8.638 8.638 8.811 -0.173 25404 5616 1 18 . 1 1 984 984 SER N N 984 113.275 113.275 113.736 -0.461 25404 5617 1 18 . 1 1 984 984 SER HA H 984 4.690 4.690 4.453 0.237 25404 5618 1 18 . 1 1 984 984 SER C C 984 174.726 174.726 175.092 -0.366 25404 5619 1 18 . 1 1 984 984 SER CA C 984 59.300 59.300 58.492 0.808 25404 5620 1 18 . 1 1 984 984 SER CB C 984 64.400 64.400 63.593 0.807 25404 5621 1 18 . 1 1 984 984 SER H H 984 7.736 7.736 7.876 -0.140 25404 5622 1 18 . 1 1 985 985 GLY N N 985 108.346 108.346 107.956 0.390 25404 5623 1 18 . 1 1 985 985 GLY C C 985 174.740 174.740 174.181 0.559 25404 5624 1 18 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.775 0.988 25404 5625 1 18 . 1 1 985 985 GLY H H 985 7.880 7.880 7.520 0.360 25404 5626 1 18 . 1 1 986 986 ALA N N 986 123.024 123.024 122.212 0.812 25404 5627 1 18 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.267 0.123 25404 5628 1 18 . 1 1 986 986 ALA C C 986 177.887 177.887 176.802 1.085 25404 5629 1 18 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.986 1.828 25404 5630 1 18 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.625 0.775 25404 5631 1 18 . 1 1 986 986 ALA H H 986 7.790 7.790 7.935 -0.145 25404 5632 1 18 . 1 1 987 987 SER N N 987 111.887 111.887 114.707 -2.820 25404 5633 1 18 . 1 1 987 987 SER HA H 987 4.730 4.730 4.480 0.250 25404 5634 1 18 . 1 1 987 987 SER C C 987 174.429 174.429 174.053 0.376 25404 5635 1 18 . 1 1 987 987 SER CA C 987 57.629 57.629 58.086 -0.457 25404 5636 1 18 . 1 1 987 987 SER CB C 987 64.309 64.309 63.845 0.464 25404 5637 1 18 . 1 1 987 987 SER H H 987 8.810 8.810 8.577 0.233 25404 5638 1 18 . 1 1 988 988 ASP N N 988 120.053 120.053 121.608 -1.555 25404 5639 1 18 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.610 0.325 25404 5640 1 18 . 1 1 988 988 ASP C C 988 173.389 173.389 176.084 -2.695 25404 5641 1 18 . 1 1 988 988 ASP CA C 988 53.413 53.413 52.839 0.574 25404 5642 1 18 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.555 -0.395 25404 5643 1 18 . 1 1 988 988 ASP H H 988 7.933 7.933 7.936 -0.003 25404 5644 1 18 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.176 0.144 25404 5645 1 18 . 1 1 989 989 PRO C C 989 179.464 179.464 178.067 1.397 25404 5646 1 18 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.544 1.212 25404 5647 1 18 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.873 0.769 25404 5648 1 18 . 1 1 990 990 ASP N N 990 118.727 118.727 118.421 0.306 25404 5649 1 18 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.533 0.054 25404 5650 1 18 . 1 1 990 990 ASP C C 990 178.185 178.185 179.143 -0.958 25404 5651 1 18 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.258 0.869 25404 5652 1 18 . 1 1 990 990 ASP CB C 990 40.190 40.190 40.077 0.113 25404 5653 1 18 . 1 1 990 990 ASP H H 990 8.418 8.418 8.634 -0.216 25404 5654 1 18 . 1 1 991 991 SER N N 991 121.204 121.204 116.381 4.823 25404 5655 1 18 . 1 1 991 991 SER HA H 991 4.278 4.278 4.379 -0.101 25404 5656 1 18 . 1 1 991 991 SER CA C 991 64.100 64.100 61.764 2.336 25404 5657 1 18 . 1 1 991 991 SER CB C 991 62.832 62.832 63.036 -0.204 25404 5658 1 18 . 1 1 991 991 SER H H 991 8.093 8.093 8.886 -0.793 25404 5659 1 18 . 1 1 992 992 GLN N N 992 119.137 119.137 120.257 -1.120 25404 5660 1 18 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.051 0.233 25404 5661 1 18 . 1 1 992 992 GLN C C 992 179.621 179.621 178.530 1.091 25404 5662 1 18 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.867 0.803 25404 5663 1 18 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.201 0.529 25404 5664 1 18 . 1 1 992 992 GLN H H 992 8.131 8.131 8.114 0.017 25404 5665 1 18 . 1 1 993 993 ARG N N 993 122.037 122.037 119.916 2.121 25404 5666 1 18 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.140 0.034 25404 5667 1 18 . 1 1 993 993 ARG C C 993 179.465 179.465 178.594 0.871 25404 5668 1 18 . 1 1 993 993 ARG CA C 993 59.892 59.892 58.954 0.938 25404 5669 1 18 . 1 1 993 993 ARG CB C 993 30.292 30.292 29.896 0.396 25404 5670 1 18 . 1 1 993 993 ARG H H 993 8.345 8.345 8.340 0.005 25404 5671 1 18 . 1 1 994 994 TYR N N 994 122.855 122.855 121.860 0.995 25404 5672 1 18 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.378 0.222 25404 5673 1 18 . 1 1 994 994 TYR C C 994 176.468 176.468 177.752 -1.284 25404 5674 1 18 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.918 1.760 25404 5675 1 18 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.346 0.954 25404 5676 1 18 . 1 1 994 994 TYR H H 994 9.285 9.285 8.319 0.966 25404 5677 1 18 . 1 1 995 995 ASN N N 995 117.831 117.831 117.704 0.127 25404 5678 1 18 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.207 0.342 25404 5679 1 18 . 1 1 995 995 ASN C C 995 178.763 178.763 177.819 0.944 25404 5680 1 18 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.287 0.655 25404 5681 1 18 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.915 0.525 25404 5682 1 18 . 1 1 995 995 ASN H H 995 8.678 8.678 8.544 0.134 25404 5683 1 18 . 1 1 996 996 ALA N N 996 122.157 122.157 124.122 -1.965 25404 5684 1 18 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.134 0.236 25404 5685 1 18 . 1 1 996 996 ALA C C 996 179.848 179.848 179.081 0.767 25404 5686 1 18 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.860 0.457 25404 5687 1 18 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.573 0.117 25404 5688 1 18 . 1 1 996 996 ALA H H 996 7.984 7.984 8.228 -0.244 25404 5689 1 18 . 1 1 997 997 TRP N N 997 123.610 123.610 121.495 2.115 25404 5690 1 18 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.189 0.192 25404 5691 1 18 . 1 1 997 997 TRP C C 997 178.383 178.383 178.000 0.383 25404 5692 1 18 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.267 -0.085 25404 5693 1 18 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.077 0.223 25404 5694 1 18 . 1 1 997 997 TRP H H 997 8.760 8.760 8.375 0.385 25404 5695 1 18 . 1 1 998 998 LEU N N 998 120.247 120.247 118.233 2.014 25404 5696 1 18 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.204 0.366 25404 5697 1 18 . 1 1 998 998 LEU C C 998 180.003 180.003 178.602 1.401 25404 5698 1 18 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.890 0.033 25404 5699 1 18 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.205 1.395 25404 5700 1 18 . 1 1 998 998 LEU H H 998 9.030 9.030 7.972 1.058 25404 5701 1 18 . 1 1 999 999 GLU N N 999 118.449 118.449 120.385 -1.936 25404 5702 1 18 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.920 0.146 25404 5703 1 18 . 1 1 999 999 GLU C C 999 178.785 178.785 179.180 -0.395 25404 5704 1 18 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.618 -0.145 25404 5705 1 18 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.629 0.231 25404 5706 1 18 . 1 1 999 999 GLU H H 999 7.574 7.574 7.707 -0.133 25404 5707 1 19 . 1 1 946 946 ALA HA H 946 4.400 4.400 3.915 0.485 25404 5708 1 19 . 1 1 946 946 ALA C C 946 177.730 177.730 178.540 -0.810 25404 5709 1 19 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.198 0.747 25404 5710 1 19 . 1 1 946 946 ALA CB C 946 19.770 19.770 18.825 0.945 25404 5711 1 19 . 1 1 946 946 ALA H H 946 8.480 8.480 7.783 0.697 25404 5712 1 19 . 1 1 947 947 MET N N 947 119.619 119.619 115.389 4.230 25404 5713 1 19 . 1 1 947 947 MET HA H 947 4.520 4.520 4.060 0.460 25404 5714 1 19 . 1 1 947 947 MET C C 947 175.878 175.878 174.882 0.996 25404 5715 1 19 . 1 1 947 947 MET CA C 947 55.676 55.676 57.099 -1.423 25404 5716 1 19 . 1 1 947 947 MET CB C 947 33.450 33.450 32.391 1.059 25404 5717 1 19 . 1 1 947 947 MET H H 947 8.468 8.468 8.594 -0.126 25404 5718 1 19 . 1 1 948 948 ALA N N 948 125.737 125.737 123.288 2.449 25404 5719 1 19 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.510 -0.343 25404 5720 1 19 . 1 1 948 948 ALA C C 948 177.203 177.203 178.302 -1.099 25404 5721 1 19 . 1 1 948 948 ALA CA C 948 52.810 52.810 51.382 1.428 25404 5722 1 19 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.546 0.976 25404 5723 1 19 . 1 1 948 948 ALA H H 948 8.432 8.432 7.882 0.550 25404 5724 1 19 . 1 1 949 949 ILE N N 949 119.982 119.982 119.546 0.436 25404 5725 1 19 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.011 0.189 25404 5726 1 19 . 1 1 949 949 ILE C C 949 175.237 175.237 176.351 -1.114 25404 5727 1 19 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.634 -0.234 25404 5728 1 19 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.450 2.010 25404 5729 1 19 . 1 1 949 949 ILE H H 949 8.049 8.049 7.863 0.186 25404 5730 1 19 . 1 1 950 950 ALA N N 950 127.463 127.463 121.668 5.795 25404 5731 1 19 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.003 0.507 25404 5732 1 19 . 1 1 950 950 ALA C C 950 176.693 176.693 176.915 -0.222 25404 5733 1 19 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.397 -0.306 25404 5734 1 19 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.056 2.004 25404 5735 1 19 . 1 1 950 950 ALA H H 950 8.286 8.286 8.210 0.076 25404 5736 1 19 . 1 1 951 951 LEU N N 951 120.899 120.899 116.390 4.509 25404 5737 1 19 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.024 0.576 25404 5738 1 19 . 1 1 951 951 LEU C C 951 177.680 177.680 175.777 1.903 25404 5739 1 19 . 1 1 951 951 LEU CA C 951 54.601 54.601 55.632 -1.031 25404 5740 1 19 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.539 1.661 25404 5741 1 19 . 1 1 951 951 LEU H H 951 8.098 8.098 7.721 0.377 25404 5742 1 19 . 1 1 952 952 ARG N N 952 122.793 122.793 120.302 2.491 25404 5743 1 19 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.510 0.047 25404 5744 1 19 . 1 1 952 952 ARG C C 952 177.543 177.543 176.747 0.796 25404 5745 1 19 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.051 1.225 25404 5746 1 19 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.195 1.635 25404 5747 1 19 . 1 1 952 952 ARG H H 952 9.312 9.312 8.251 1.061 25404 5748 1 19 . 1 1 953 953 ASP N N 953 122.129 122.129 120.751 1.378 25404 5749 1 19 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.383 0.107 25404 5750 1 19 . 1 1 953 953 ASP C C 953 177.472 177.472 177.991 -0.519 25404 5751 1 19 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.419 -0.333 25404 5752 1 19 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.582 -0.102 25404 5753 1 19 . 1 1 953 953 ASP H H 953 8.959 8.959 8.840 0.119 25404 5754 1 19 . 1 1 954 954 ASP N N 954 116.531 116.531 118.804 -2.273 25404 5755 1 19 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.521 0.109 25404 5756 1 19 . 1 1 954 954 ASP C C 954 178.707 178.707 178.898 -0.191 25404 5757 1 19 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.270 -0.369 25404 5758 1 19 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.050 0.050 25404 5759 1 19 . 1 1 954 954 ASP H H 954 8.776 8.776 8.662 0.114 25404 5760 1 19 . 1 1 955 955 GLU N N 955 121.514 121.514 120.223 1.291 25404 5761 1 19 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.261 0.289 25404 5762 1 19 . 1 1 955 955 GLU C C 955 177.302 177.302 179.009 -1.707 25404 5763 1 19 . 1 1 955 955 GLU CA C 955 59.319 59.319 58.971 0.348 25404 5764 1 19 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.258 2.582 25404 5765 1 19 . 1 1 955 955 GLU H H 955 7.692 7.692 8.617 -0.925 25404 5766 1 19 . 1 1 956 956 TYR N N 956 120.780 120.780 121.520 -0.740 25404 5767 1 19 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.216 0.074 25404 5768 1 19 . 1 1 956 956 TYR C C 956 177.098 177.098 177.572 -0.474 25404 5769 1 19 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.950 1.000 25404 5770 1 19 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.638 -0.226 25404 5771 1 19 . 1 1 956 956 TYR H H 956 8.425 8.425 8.844 -0.419 25404 5772 1 19 . 1 1 957 957 ASP N N 957 118.102 118.102 118.773 -0.671 25404 5773 1 19 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.308 0.062 25404 5774 1 19 . 1 1 957 957 ASP C C 957 177.919 177.919 178.180 -0.261 25404 5775 1 19 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.509 0.145 25404 5776 1 19 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.826 -0.295 25404 5777 1 19 . 1 1 957 957 ASP H H 957 8.169 8.169 8.121 0.048 25404 5778 1 19 . 1 1 958 958 GLU N N 958 121.150 121.150 121.314 -0.164 25404 5779 1 19 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.125 -0.065 25404 5780 1 19 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.143 1.967 25404 5781 1 19 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.827 1.003 25404 5782 1 19 . 1 1 958 958 GLU H H 958 7.782 7.782 7.625 0.157 25404 5783 1 19 . 1 1 959 959 TRP N N 959 120.489 120.489 121.932 -1.443 25404 5784 1 19 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.769 -0.400 25404 5785 1 19 . 1 1 959 959 TRP C C 959 176.651 176.651 178.344 -1.693 25404 5786 1 19 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.090 -2.299 25404 5787 1 19 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.047 -1.278 25404 5788 1 19 . 1 1 959 959 TRP H H 959 8.089 8.089 8.195 -0.106 25404 5789 1 19 . 1 1 960 960 GLN N N 960 113.509 113.509 116.825 -3.316 25404 5790 1 19 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.262 -0.142 25404 5791 1 19 . 1 1 960 960 GLN C C 960 179.089 179.089 178.521 0.568 25404 5792 1 19 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.545 -0.214 25404 5793 1 19 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.532 0.938 25404 5794 1 19 . 1 1 960 960 GLN H H 960 7.946 7.946 7.940 0.006 25404 5795 1 19 . 1 1 961 961 ASP N N 961 120.534 120.534 120.549 -0.015 25404 5796 1 19 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.377 0.143 25404 5797 1 19 . 1 1 961 961 ASP C C 961 177.660 177.660 178.766 -1.106 25404 5798 1 19 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.121 0.338 25404 5799 1 19 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.422 -0.052 25404 5800 1 19 . 1 1 961 961 ASP H H 961 8.253 8.253 8.074 0.179 25404 5801 1 19 . 1 1 962 962 ILE N N 962 124.280 124.280 120.665 3.615 25404 5802 1 19 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.921 0.149 25404 5803 1 19 . 1 1 962 962 ILE C C 962 177.301 177.301 176.940 0.361 25404 5804 1 19 . 1 1 962 962 ILE CA C 962 66.100 66.100 64.070 2.030 25404 5805 1 19 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.603 -0.833 25404 5806 1 19 . 1 1 962 962 ILE H H 962 8.600 8.600 7.691 0.909 25404 5807 1 19 . 1 1 963 963 ILE N N 963 121.368 121.368 119.931 1.437 25404 5808 1 19 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.509 0.351 25404 5809 1 19 . 1 1 963 963 ILE C C 963 179.751 179.751 177.277 2.474 25404 5810 1 19 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.360 -0.251 25404 5811 1 19 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.246 1.244 25404 5812 1 19 . 1 1 963 963 ILE H H 963 7.377 7.377 7.444 -0.067 25404 5813 1 19 . 1 1 964 964 ARG N N 964 119.627 119.627 119.181 0.446 25404 5814 1 19 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.822 0.248 25404 5815 1 19 . 1 1 964 964 ARG C C 964 179.065 179.065 178.744 0.321 25404 5816 1 19 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.553 -0.399 25404 5817 1 19 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.839 0.961 25404 5818 1 19 . 1 1 964 964 ARG H H 964 7.209 7.209 7.771 -0.562 25404 5819 1 19 . 1 1 965 965 ASP N N 965 119.847 119.847 120.862 -1.015 25404 5820 1 19 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.266 0.354 25404 5821 1 19 . 1 1 965 965 ASP C C 965 178.787 178.787 177.058 1.729 25404 5822 1 19 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.724 0.693 25404 5823 1 19 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.128 0.487 25404 5824 1 19 . 1 1 965 965 ASP H H 965 9.098 9.098 7.795 1.303 25404 5825 1 19 . 1 1 966 966 TRP N N 966 118.678 118.678 117.026 1.652 25404 5826 1 19 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.624 0.116 25404 5827 1 19 . 1 1 966 966 TRP C C 966 176.094 176.094 176.092 0.002 25404 5828 1 19 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.529 0.314 25404 5829 1 19 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.660 -1.060 25404 5830 1 19 . 1 1 966 966 TRP H H 966 9.253 9.253 7.207 2.046 25404 5831 1 19 . 1 1 967 967 ARG N N 967 116.998 116.998 114.777 2.221 25404 5832 1 19 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.931 0.099 25404 5833 1 19 . 1 1 967 967 ARG C C 967 174.965 174.965 175.370 -0.405 25404 5834 1 19 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.497 -0.491 25404 5835 1 19 . 1 1 967 967 ARG CB C 967 26.966 26.966 26.962 0.004 25404 5836 1 19 . 1 1 967 967 ARG H H 967 7.762 7.762 7.984 -0.222 25404 5837 1 19 . 1 1 968 968 LYS N N 968 117.708 117.708 118.109 -0.401 25404 5838 1 19 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.526 0.114 25404 5839 1 19 . 1 1 968 968 LYS C C 968 174.258 174.258 174.582 -0.324 25404 5840 1 19 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.827 0.412 25404 5841 1 19 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.105 2.009 25404 5842 1 19 . 1 1 968 968 LYS H H 968 7.462 7.462 7.490 -0.028 25404 5843 1 19 . 1 1 969 969 GLU N N 969 123.352 123.352 120.165 3.187 25404 5844 1 19 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.450 -0.283 25404 5845 1 19 . 1 1 969 969 GLU C C 969 175.962 175.962 174.933 1.029 25404 5846 1 19 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.960 1.186 25404 5847 1 19 . 1 1 969 969 GLU CB C 969 29.500 29.500 31.344 -1.844 25404 5848 1 19 . 1 1 969 969 GLU H H 969 8.559 8.559 8.317 0.242 25404 5849 1 19 . 1 1 970 970 MET N N 970 121.247 121.247 119.989 1.258 25404 5850 1 19 . 1 1 970 970 MET HA H 970 4.920 4.920 4.832 0.088 25404 5851 1 19 . 1 1 970 970 MET C C 970 176.884 176.884 175.005 1.879 25404 5852 1 19 . 1 1 970 970 MET CA C 970 55.546 55.546 54.116 1.430 25404 5853 1 19 . 1 1 970 970 MET CB C 970 36.772 36.772 35.363 1.409 25404 5854 1 19 . 1 1 970 970 MET H H 970 7.314 7.314 8.055 -0.741 25404 5855 1 19 . 1 1 971 971 THR N N 971 118.284 118.284 111.660 6.624 25404 5856 1 19 . 1 1 971 971 THR HA H 971 4.740 4.740 4.749 -0.009 25404 5857 1 19 . 1 1 971 971 THR C C 971 175.112 175.112 175.340 -0.228 25404 5858 1 19 . 1 1 971 971 THR CA C 971 61.582 61.582 61.127 0.455 25404 5859 1 19 . 1 1 971 971 THR CB C 971 71.203 71.203 69.947 1.256 25404 5860 1 19 . 1 1 971 971 THR H H 971 9.129 9.129 8.219 0.910 25404 5861 1 19 . 1 1 972 972 VAL N N 972 121.240 121.240 121.715 -0.475 25404 5862 1 19 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.061 -0.331 25404 5863 1 19 . 1 1 972 972 VAL C C 972 177.014 177.014 177.951 -0.937 25404 5864 1 19 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.851 1.259 25404 5865 1 19 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.120 0.180 25404 5866 1 19 . 1 1 972 972 VAL H H 972 8.745 8.745 8.271 0.474 25404 5867 1 19 . 1 1 973 973 GLN N N 973 117.672 117.672 118.480 -0.808 25404 5868 1 19 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.937 -0.107 25404 5869 1 19 . 1 1 973 973 GLN C C 973 178.206 178.206 178.225 -0.019 25404 5870 1 19 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.246 0.234 25404 5871 1 19 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.021 0.899 25404 5872 1 19 . 1 1 973 973 GLN H H 973 8.179 8.179 8.553 -0.374 25404 5873 1 19 . 1 1 974 974 GLN N N 974 118.023 118.023 118.657 -0.634 25404 5874 1 19 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.043 0.047 25404 5875 1 19 . 1 1 974 974 GLN C C 974 179.457 179.457 178.367 1.090 25404 5876 1 19 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.894 0.229 25404 5877 1 19 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.038 1.112 25404 5878 1 19 . 1 1 974 974 GLN H H 974 7.797 7.797 7.777 0.020 25404 5879 1 19 . 1 1 975 975 PHE N N 975 121.801 121.801 120.930 0.871 25404 5880 1 19 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.255 0.096 25404 5881 1 19 . 1 1 975 975 PHE C C 975 175.313 175.313 177.083 -1.770 25404 5882 1 19 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.706 0.267 25404 5883 1 19 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.928 0.787 25404 5884 1 19 . 1 1 975 975 PHE H H 975 8.290 8.290 7.455 0.835 25404 5885 1 19 . 1 1 976 976 LEU N N 976 119.703 119.703 120.354 -0.651 25404 5886 1 19 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.632 -0.108 25404 5887 1 19 . 1 1 976 976 LEU C C 976 180.091 180.091 178.688 1.403 25404 5888 1 19 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.494 0.520 25404 5889 1 19 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.484 0.943 25404 5890 1 19 . 1 1 976 976 LEU H H 976 8.538 8.538 8.203 0.335 25404 5891 1 19 . 1 1 977 977 ASP N N 977 119.392 119.392 119.586 -0.194 25404 5892 1 19 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.302 0.008 25404 5893 1 19 . 1 1 977 977 ASP C C 977 178.035 178.035 178.468 -0.433 25404 5894 1 19 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.997 0.447 25404 5895 1 19 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.811 0.291 25404 5896 1 19 . 1 1 977 977 ASP H H 977 8.274 8.274 8.063 0.211 25404 5897 1 19 . 1 1 978 978 LEU N N 978 122.575 122.575 120.871 1.704 25404 5898 1 19 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.946 0.004 25404 5899 1 19 . 1 1 978 978 LEU C C 978 176.975 176.975 177.978 -1.003 25404 5900 1 19 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.647 0.743 25404 5901 1 19 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.742 0.358 25404 5902 1 19 . 1 1 978 978 LEU H H 978 7.648 7.648 7.894 -0.246 25404 5903 1 19 . 1 1 979 979 LYS N N 979 118.441 118.441 118.096 0.345 25404 5904 1 19 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.574 -0.394 25404 5905 1 19 . 1 1 979 979 LYS C C 979 177.972 177.972 178.244 -0.272 25404 5906 1 19 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.383 0.777 25404 5907 1 19 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.318 1.282 25404 5908 1 19 . 1 1 979 979 LYS H H 979 7.958 7.958 8.052 -0.094 25404 5909 1 19 . 1 1 980 980 GLU N N 980 117.008 117.008 120.655 -3.647 25404 5910 1 19 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.920 0.040 25404 5911 1 19 . 1 1 980 980 GLU C C 980 180.050 180.050 179.161 0.889 25404 5912 1 19 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.514 0.144 25404 5913 1 19 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.464 0.220 25404 5914 1 19 . 1 1 980 980 GLU H H 980 7.994 7.994 8.091 -0.097 25404 5915 1 19 . 1 1 981 981 ARG N N 981 119.530 119.530 118.347 1.183 25404 5916 1 19 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.032 0.148 25404 5917 1 19 . 1 1 981 981 ARG C C 981 179.556 179.556 178.670 0.886 25404 5918 1 19 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.526 -1.596 25404 5919 1 19 . 1 1 981 981 ARG CB C 981 29.750 29.750 29.777 -0.027 25404 5920 1 19 . 1 1 981 981 ARG H H 981 8.159 8.159 7.985 0.174 25404 5921 1 19 . 1 1 982 982 ALA N N 982 126.163 126.163 122.764 3.399 25404 5922 1 19 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.195 0.055 25404 5923 1 19 . 1 1 982 982 ALA C C 982 182.415 182.415 180.560 1.855 25404 5924 1 19 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.820 1.597 25404 5925 1 19 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.542 1.068 25404 5926 1 19 . 1 1 982 982 ALA H H 982 8.947 8.947 8.060 0.887 25404 5927 1 19 . 1 1 983 983 LEU N N 983 119.414 119.414 119.283 0.131 25404 5928 1 19 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.200 0.230 25404 5929 1 19 . 1 1 983 983 LEU C C 983 178.652 178.652 178.844 -0.192 25404 5930 1 19 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.036 0.540 25404 5931 1 19 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.713 -0.343 25404 5932 1 19 . 1 1 983 983 LEU H H 983 8.638 8.638 8.478 0.160 25404 5933 1 19 . 1 1 984 984 SER N N 984 113.275 113.275 113.648 -0.373 25404 5934 1 19 . 1 1 984 984 SER HA H 984 4.690 4.690 4.399 0.291 25404 5935 1 19 . 1 1 984 984 SER C C 984 174.726 174.726 175.200 -0.474 25404 5936 1 19 . 1 1 984 984 SER CA C 984 59.300 59.300 58.690 0.610 25404 5937 1 19 . 1 1 984 984 SER CB C 984 64.400 64.400 63.606 0.794 25404 5938 1 19 . 1 1 984 984 SER H H 984 7.736 7.736 7.885 -0.148 25404 5939 1 19 . 1 1 985 985 GLY N N 985 108.346 108.346 109.068 -0.722 25404 5940 1 19 . 1 1 985 985 GLY C C 985 174.740 174.740 173.885 0.855 25404 5941 1 19 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.776 0.987 25404 5942 1 19 . 1 1 985 985 GLY H H 985 7.880 7.880 7.588 0.292 25404 5943 1 19 . 1 1 986 986 ALA N N 986 123.024 123.024 122.891 0.133 25404 5944 1 19 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.415 -0.025 25404 5945 1 19 . 1 1 986 986 ALA C C 986 177.887 177.887 177.815 0.072 25404 5946 1 19 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.481 2.333 25404 5947 1 19 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.677 0.723 25404 5948 1 19 . 1 1 986 986 ALA H H 986 7.790 7.790 8.107 -0.317 25404 5949 1 19 . 1 1 987 987 SER N N 987 111.887 111.887 115.701 -3.814 25404 5950 1 19 . 1 1 987 987 SER HA H 987 4.730 4.730 4.467 0.263 25404 5951 1 19 . 1 1 987 987 SER C C 987 174.429 174.429 173.848 0.581 25404 5952 1 19 . 1 1 987 987 SER CA C 987 57.629 57.629 58.256 -0.627 25404 5953 1 19 . 1 1 987 987 SER CB C 987 64.309 64.309 63.311 0.998 25404 5954 1 19 . 1 1 987 987 SER H H 987 8.810 8.810 8.696 0.114 25404 5955 1 19 . 1 1 988 988 ASP N N 988 120.053 120.053 124.448 -4.395 25404 5956 1 19 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.676 0.259 25404 5957 1 19 . 1 1 988 988 ASP C C 988 173.389 173.389 176.731 -3.342 25404 5958 1 19 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.274 -0.861 25404 5959 1 19 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.814 -0.654 25404 5960 1 19 . 1 1 988 988 ASP H H 988 7.933 7.933 7.969 -0.036 25404 5961 1 19 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.287 0.033 25404 5962 1 19 . 1 1 989 989 PRO C C 989 179.464 179.464 177.713 1.751 25404 5963 1 19 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.670 1.086 25404 5964 1 19 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.982 0.660 25404 5965 1 19 . 1 1 990 990 ASP N N 990 118.727 118.727 117.420 1.307 25404 5966 1 19 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.530 0.057 25404 5967 1 19 . 1 1 990 990 ASP C C 990 178.185 178.185 178.748 -0.563 25404 5968 1 19 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.287 0.840 25404 5969 1 19 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.858 0.332 25404 5970 1 19 . 1 1 990 990 ASP H H 990 8.418 8.418 8.809 -0.391 25404 5971 1 19 . 1 1 991 991 SER N N 991 121.204 121.204 116.524 4.680 25404 5972 1 19 . 1 1 991 991 SER HA H 991 4.278 4.278 4.265 0.013 25404 5973 1 19 . 1 1 991 991 SER CA C 991 64.100 64.100 61.545 2.555 25404 5974 1 19 . 1 1 991 991 SER CB C 991 62.832 62.832 63.148 -0.316 25404 5975 1 19 . 1 1 991 991 SER H H 991 8.093 8.093 7.796 0.297 25404 5976 1 19 . 1 1 992 992 GLN N N 992 119.137 119.137 120.610 -1.473 25404 5977 1 19 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.089 0.195 25404 5978 1 19 . 1 1 992 992 GLN C C 992 179.621 179.621 178.702 0.919 25404 5979 1 19 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.817 0.853 25404 5980 1 19 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.384 0.346 25404 5981 1 19 . 1 1 992 992 GLN H H 992 8.131 8.131 7.901 0.230 25404 5982 1 19 . 1 1 993 993 ARG N N 993 122.037 122.037 120.291 1.746 25404 5983 1 19 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.125 0.049 25404 5984 1 19 . 1 1 993 993 ARG C C 993 179.465 179.465 178.844 0.621 25404 5985 1 19 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.507 0.385 25404 5986 1 19 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.255 0.037 25404 5987 1 19 . 1 1 993 993 ARG H H 993 8.345 8.345 8.189 0.156 25404 5988 1 19 . 1 1 994 994 TYR N N 994 122.855 122.855 121.549 1.306 25404 5989 1 19 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.443 0.157 25404 5990 1 19 . 1 1 994 994 TYR C C 994 176.468 176.468 177.453 -0.985 25404 5991 1 19 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.267 2.411 25404 5992 1 19 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.402 0.898 25404 5993 1 19 . 1 1 994 994 TYR H H 994 9.285 9.285 8.396 0.889 25404 5994 1 19 . 1 1 995 995 ASN N N 995 117.831 117.831 117.702 0.129 25404 5995 1 19 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.193 0.356 25404 5996 1 19 . 1 1 995 995 ASN C C 995 178.763 178.763 177.641 1.122 25404 5997 1 19 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.784 0.158 25404 5998 1 19 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.372 0.068 25404 5999 1 19 . 1 1 995 995 ASN H H 995 8.678 8.678 8.321 0.357 25404 6000 1 19 . 1 1 996 996 ALA N N 996 122.157 122.157 124.067 -1.910 25404 6001 1 19 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.137 0.233 25404 6002 1 19 . 1 1 996 996 ALA C C 996 179.848 179.848 179.066 0.782 25404 6003 1 19 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.902 0.415 25404 6004 1 19 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.548 0.142 25404 6005 1 19 . 1 1 996 996 ALA H H 996 7.984 7.984 8.128 -0.144 25404 6006 1 19 . 1 1 997 997 TRP N N 997 123.610 123.610 121.466 2.144 25404 6007 1 19 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.216 0.165 25404 6008 1 19 . 1 1 997 997 TRP C C 997 178.383 178.383 177.698 0.685 25404 6009 1 19 . 1 1 997 997 TRP CA C 997 62.182 62.182 61.955 0.227 25404 6010 1 19 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.077 0.223 25404 6011 1 19 . 1 1 997 997 TRP H H 997 8.760 8.760 8.407 0.353 25404 6012 1 19 . 1 1 998 998 LEU N N 998 120.247 120.247 118.214 2.033 25404 6013 1 19 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.226 0.344 25404 6014 1 19 . 1 1 998 998 LEU C C 998 180.003 180.003 178.689 1.314 25404 6015 1 19 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.817 0.106 25404 6016 1 19 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.314 1.286 25404 6017 1 19 . 1 1 998 998 LEU H H 998 9.030 9.030 7.906 1.124 25404 6018 1 19 . 1 1 999 999 GLU N N 999 118.449 118.449 120.355 -1.906 25404 6019 1 19 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.925 0.141 25404 6020 1 19 . 1 1 999 999 GLU C C 999 178.785 178.785 179.101 -0.316 25404 6021 1 19 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.564 -0.091 25404 6022 1 19 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.622 0.238 25404 6023 1 19 . 1 1 999 999 GLU H H 999 7.574 7.574 7.673 -0.099 25404 6024 1 20 . 1 1 946 946 ALA HA H 946 4.400 4.400 4.504 -0.104 25404 6025 1 20 . 1 1 946 946 ALA C C 946 177.730 177.730 177.974 -0.244 25404 6026 1 20 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.411 0.534 25404 6027 1 20 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.188 0.582 25404 6028 1 20 . 1 1 946 946 ALA H H 946 8.480 8.480 8.172 0.308 25404 6029 1 20 . 1 1 947 947 MET N N 947 119.619 119.619 116.708 2.911 25404 6030 1 20 . 1 1 947 947 MET HA H 947 4.520 4.520 4.201 0.319 25404 6031 1 20 . 1 1 947 947 MET C C 947 175.878 175.878 176.705 -0.827 25404 6032 1 20 . 1 1 947 947 MET CA C 947 55.676 55.676 55.326 0.350 25404 6033 1 20 . 1 1 947 947 MET CB C 947 33.450 33.450 31.797 1.653 25404 6034 1 20 . 1 1 947 947 MET H H 947 8.468 8.468 7.902 0.566 25404 6035 1 20 . 1 1 948 948 ALA N N 948 125.737 125.737 122.034 3.703 25404 6036 1 20 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.218 -0.051 25404 6037 1 20 . 1 1 948 948 ALA C C 948 177.203 177.203 177.666 -0.463 25404 6038 1 20 . 1 1 948 948 ALA CA C 948 52.810 52.810 51.885 0.925 25404 6039 1 20 . 1 1 948 948 ALA CB C 948 19.522 19.522 19.427 0.095 25404 6040 1 20 . 1 1 948 948 ALA H H 948 8.432 8.432 7.678 0.754 25404 6041 1 20 . 1 1 949 949 ILE N N 949 119.982 119.982 119.772 0.210 25404 6042 1 20 . 1 1 949 949 ILE HA H 949 4.200 4.200 3.657 0.543 25404 6043 1 20 . 1 1 949 949 ILE C C 949 175.237 175.237 174.300 0.937 25404 6044 1 20 . 1 1 949 949 ILE CA C 949 61.400 61.400 62.624 -1.224 25404 6045 1 20 . 1 1 949 949 ILE CB C 949 39.460 39.460 37.717 1.743 25404 6046 1 20 . 1 1 949 949 ILE H H 949 8.049 8.049 8.031 0.018 25404 6047 1 20 . 1 1 950 950 ALA N N 950 127.463 127.463 120.634 6.829 25404 6048 1 20 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.373 0.137 25404 6049 1 20 . 1 1 950 950 ALA C C 950 176.693 176.693 176.139 0.554 25404 6050 1 20 . 1 1 950 950 ALA CA C 950 52.091 52.091 51.854 0.237 25404 6051 1 20 . 1 1 950 950 ALA CB C 950 20.060 20.060 20.027 0.033 25404 6052 1 20 . 1 1 950 950 ALA H H 950 8.286 8.286 8.127 0.159 25404 6053 1 20 . 1 1 951 951 LEU N N 951 120.899 120.899 121.523 -0.624 25404 6054 1 20 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.503 0.096 25404 6055 1 20 . 1 1 951 951 LEU C C 951 177.680 177.680 176.500 1.180 25404 6056 1 20 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.150 0.451 25404 6057 1 20 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.882 1.318 25404 6058 1 20 . 1 1 951 951 LEU H H 951 8.098 8.098 7.863 0.235 25404 6059 1 20 . 1 1 952 952 ARG N N 952 122.793 122.793 122.622 0.171 25404 6060 1 20 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.308 0.249 25404 6061 1 20 . 1 1 952 952 ARG C C 952 177.543 177.543 177.247 0.296 25404 6062 1 20 . 1 1 952 952 ARG CA C 952 56.276 56.276 56.207 0.069 25404 6063 1 20 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.235 1.595 25404 6064 1 20 . 1 1 952 952 ARG H H 952 9.312 9.312 8.563 0.749 25404 6065 1 20 . 1 1 953 953 ASP N N 953 122.129 122.129 119.835 2.294 25404 6066 1 20 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.356 0.134 25404 6067 1 20 . 1 1 953 953 ASP C C 953 177.472 177.472 178.436 -0.964 25404 6068 1 20 . 1 1 953 953 ASP CA C 953 58.086 58.086 57.780 0.306 25404 6069 1 20 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.362 0.118 25404 6070 1 20 . 1 1 953 953 ASP H H 953 8.959 8.959 8.777 0.182 25404 6071 1 20 . 1 1 954 954 ASP N N 954 116.531 116.531 118.782 -2.251 25404 6072 1 20 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.512 0.118 25404 6073 1 20 . 1 1 954 954 ASP C C 954 178.707 178.707 178.595 0.112 25404 6074 1 20 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.024 -0.123 25404 6075 1 20 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.640 -0.540 25404 6076 1 20 . 1 1 954 954 ASP H H 954 8.776 8.776 8.499 0.277 25404 6077 1 20 . 1 1 955 955 GLU N N 955 121.514 121.514 119.473 2.041 25404 6078 1 20 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.244 0.306 25404 6079 1 20 . 1 1 955 955 GLU C C 955 177.302 177.302 178.960 -1.658 25404 6080 1 20 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.037 0.282 25404 6081 1 20 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.243 2.597 25404 6082 1 20 . 1 1 955 955 GLU H H 955 7.692 7.692 8.541 -0.849 25404 6083 1 20 . 1 1 956 956 TYR N N 956 120.780 120.780 121.534 -0.754 25404 6084 1 20 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.235 0.055 25404 6085 1 20 . 1 1 956 956 TYR C C 956 177.098 177.098 177.565 -0.467 25404 6086 1 20 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.993 0.957 25404 6087 1 20 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.622 -0.210 25404 6088 1 20 . 1 1 956 956 TYR H H 956 8.425 8.425 8.798 -0.373 25404 6089 1 20 . 1 1 957 957 ASP N N 957 118.102 118.102 118.537 -0.435 25404 6090 1 20 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.339 0.031 25404 6091 1 20 . 1 1 957 957 ASP C C 957 177.919 177.919 178.768 -0.849 25404 6092 1 20 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.382 0.272 25404 6093 1 20 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.562 -0.031 25404 6094 1 20 . 1 1 957 957 ASP H H 957 8.169 8.169 8.081 0.088 25404 6095 1 20 . 1 1 958 958 GLU N N 958 121.150 121.150 120.477 0.673 25404 6096 1 20 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.239 -0.179 25404 6097 1 20 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.172 1.938 25404 6098 1 20 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.755 1.075 25404 6099 1 20 . 1 1 958 958 GLU H H 958 7.782 7.782 7.665 0.117 25404 6100 1 20 . 1 1 959 959 TRP N N 959 120.489 120.489 122.202 -1.713 25404 6101 1 20 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.363 0.006 25404 6102 1 20 . 1 1 959 959 TRP C C 959 176.651 176.651 177.705 -1.054 25404 6103 1 20 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.037 -2.246 25404 6104 1 20 . 1 1 959 959 TRP CB C 959 27.770 27.770 28.945 -1.175 25404 6105 1 20 . 1 1 959 959 TRP H H 959 8.089 8.089 8.337 -0.248 25404 6106 1 20 . 1 1 960 960 GLN N N 960 113.509 113.509 116.084 -2.575 25404 6107 1 20 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.173 -0.053 25404 6108 1 20 . 1 1 960 960 GLN C C 960 179.089 179.089 178.519 0.570 25404 6109 1 20 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.537 -0.206 25404 6110 1 20 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.405 1.065 25404 6111 1 20 . 1 1 960 960 GLN H H 960 7.946 7.946 7.708 0.238 25404 6112 1 20 . 1 1 961 961 ASP N N 961 120.534 120.534 120.428 0.106 25404 6113 1 20 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.375 0.145 25404 6114 1 20 . 1 1 961 961 ASP C C 961 177.660 177.660 178.612 -0.952 25404 6115 1 20 . 1 1 961 961 ASP CA C 961 57.459 57.459 56.953 0.506 25404 6116 1 20 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.842 -0.472 25404 6117 1 20 . 1 1 961 961 ASP H H 961 8.253 8.253 7.995 0.258 25404 6118 1 20 . 1 1 962 962 ILE N N 962 124.280 124.280 121.013 3.267 25404 6119 1 20 . 1 1 962 962 ILE HA H 962 3.070 3.070 3.165 -0.095 25404 6120 1 20 . 1 1 962 962 ILE C C 962 177.301 177.301 177.245 0.056 25404 6121 1 20 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.017 3.083 25404 6122 1 20 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.776 -1.006 25404 6123 1 20 . 1 1 962 962 ILE H H 962 8.600 8.600 7.551 1.049 25404 6124 1 20 . 1 1 963 963 ILE N N 963 121.368 121.368 119.955 1.413 25404 6125 1 20 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.578 0.282 25404 6126 1 20 . 1 1 963 963 ILE C C 963 179.751 179.751 177.412 2.339 25404 6127 1 20 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.546 -0.438 25404 6128 1 20 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.254 1.236 25404 6129 1 20 . 1 1 963 963 ILE H H 963 7.377 7.377 7.585 -0.208 25404 6130 1 20 . 1 1 964 964 ARG N N 964 119.627 119.627 119.537 0.090 25404 6131 1 20 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.843 0.227 25404 6132 1 20 . 1 1 964 964 ARG C C 964 179.065 179.065 178.713 0.352 25404 6133 1 20 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.657 -0.503 25404 6134 1 20 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.778 1.022 25404 6135 1 20 . 1 1 964 964 ARG H H 964 7.209 7.209 7.718 -0.509 25404 6136 1 20 . 1 1 965 965 ASP N N 965 119.847 119.847 120.949 -1.102 25404 6137 1 20 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.255 0.365 25404 6138 1 20 . 1 1 965 965 ASP C C 965 178.787 178.787 176.817 1.970 25404 6139 1 20 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.304 1.113 25404 6140 1 20 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.002 0.613 25404 6141 1 20 . 1 1 965 965 ASP H H 965 9.098 9.098 7.813 1.285 25404 6142 1 20 . 1 1 966 966 TRP N N 966 118.678 118.678 117.088 1.590 25404 6143 1 20 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.473 0.267 25404 6144 1 20 . 1 1 966 966 TRP C C 966 176.094 176.094 175.835 0.259 25404 6145 1 20 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.912 -0.069 25404 6146 1 20 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.698 -1.097 25404 6147 1 20 . 1 1 966 966 TRP H H 966 9.253 9.253 7.210 2.043 25404 6148 1 20 . 1 1 967 967 ARG N N 967 116.998 116.998 115.962 1.036 25404 6149 1 20 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.987 0.043 25404 6150 1 20 . 1 1 967 967 ARG C C 967 174.965 174.965 175.656 -0.691 25404 6151 1 20 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.392 -0.385 25404 6152 1 20 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.331 -0.365 25404 6153 1 20 . 1 1 967 967 ARG H H 967 7.762 7.762 7.871 -0.109 25404 6154 1 20 . 1 1 968 968 LYS N N 968 117.708 117.708 117.201 0.507 25404 6155 1 20 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.537 0.103 25404 6156 1 20 . 1 1 968 968 LYS C C 968 174.258 174.258 174.259 -0.001 25404 6157 1 20 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.571 0.668 25404 6158 1 20 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.517 1.597 25404 6159 1 20 . 1 1 968 968 LYS H H 968 7.462 7.462 7.533 -0.071 25404 6160 1 20 . 1 1 969 969 GLU N N 969 123.352 123.352 120.009 3.343 25404 6161 1 20 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.423 -0.256 25404 6162 1 20 . 1 1 969 969 GLU C C 969 175.962 175.962 175.206 0.756 25404 6163 1 20 . 1 1 969 969 GLU CA C 969 57.146 57.146 55.333 1.813 25404 6164 1 20 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.919 -1.419 25404 6165 1 20 . 1 1 969 969 GLU H H 969 8.559 8.559 8.354 0.205 25404 6166 1 20 . 1 1 970 970 MET N N 970 121.247 121.247 122.161 -0.914 25404 6167 1 20 . 1 1 970 970 MET HA H 970 4.920 4.920 4.813 0.107 25404 6168 1 20 . 1 1 970 970 MET C C 970 176.884 176.884 175.115 1.769 25404 6169 1 20 . 1 1 970 970 MET CA C 970 55.546 55.546 54.052 1.494 25404 6170 1 20 . 1 1 970 970 MET CB C 970 36.772 36.772 35.212 1.560 25404 6171 1 20 . 1 1 970 970 MET H H 970 7.314 7.314 8.134 -0.820 25404 6172 1 20 . 1 1 971 971 THR N N 971 118.284 118.284 111.316 6.968 25404 6173 1 20 . 1 1 971 971 THR HA H 971 4.740 4.740 4.934 -0.194 25404 6174 1 20 . 1 1 971 971 THR C C 971 175.112 175.112 175.065 0.047 25404 6175 1 20 . 1 1 971 971 THR CA C 971 61.582 61.582 60.685 0.897 25404 6176 1 20 . 1 1 971 971 THR CB C 971 71.203 71.203 71.002 0.201 25404 6177 1 20 . 1 1 971 971 THR H H 971 9.129 9.129 8.068 1.061 25404 6178 1 20 . 1 1 972 972 VAL N N 972 121.240 121.240 122.780 -1.540 25404 6179 1 20 . 1 1 972 972 VAL HA H 972 2.730 2.730 2.922 -0.192 25404 6180 1 20 . 1 1 972 972 VAL C C 972 177.014 177.014 177.903 -0.889 25404 6181 1 20 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.630 1.480 25404 6182 1 20 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.064 0.236 25404 6183 1 20 . 1 1 972 972 VAL H H 972 8.745 8.745 8.367 0.378 25404 6184 1 20 . 1 1 973 973 GLN N N 973 117.672 117.672 118.433 -0.761 25404 6185 1 20 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.885 -0.055 25404 6186 1 20 . 1 1 973 973 GLN C C 973 178.206 178.206 178.438 -0.232 25404 6187 1 20 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.643 -0.163 25404 6188 1 20 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.123 0.797 25404 6189 1 20 . 1 1 973 973 GLN H H 973 8.179 8.179 8.517 -0.338 25404 6190 1 20 . 1 1 974 974 GLN N N 974 118.023 118.023 118.874 -0.851 25404 6191 1 20 . 1 1 974 974 GLN HA H 974 4.090 4.090 3.996 0.094 25404 6192 1 20 . 1 1 974 974 GLN C C 974 179.457 179.457 178.400 1.057 25404 6193 1 20 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.742 0.381 25404 6194 1 20 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.191 0.959 25404 6195 1 20 . 1 1 974 974 GLN H H 974 7.797 7.797 7.660 0.137 25404 6196 1 20 . 1 1 975 975 PHE N N 975 121.801 121.801 121.528 0.273 25404 6197 1 20 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.124 0.226 25404 6198 1 20 . 1 1 975 975 PHE C C 975 175.313 175.313 177.084 -1.771 25404 6199 1 20 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.957 0.016 25404 6200 1 20 . 1 1 975 975 PHE CB C 975 39.715 39.715 39.115 0.600 25404 6201 1 20 . 1 1 975 975 PHE H H 975 8.290 8.290 7.780 0.510 25404 6202 1 20 . 1 1 976 976 LEU N N 976 119.703 119.703 120.296 -0.593 25404 6203 1 20 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.680 -0.156 25404 6204 1 20 . 1 1 976 976 LEU C C 976 180.091 180.091 178.453 1.638 25404 6205 1 20 . 1 1 976 976 LEU CA C 976 58.014 58.014 57.983 0.031 25404 6206 1 20 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.673 0.754 25404 6207 1 20 . 1 1 976 976 LEU H H 976 8.538 8.538 8.681 -0.143 25404 6208 1 20 . 1 1 977 977 ASP N N 977 119.392 119.392 119.632 -0.240 25404 6209 1 20 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.326 -0.016 25404 6210 1 20 . 1 1 977 977 ASP C C 977 178.035 178.035 179.318 -1.283 25404 6211 1 20 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.948 0.496 25404 6212 1 20 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.787 0.315 25404 6213 1 20 . 1 1 977 977 ASP H H 977 8.274 8.274 8.199 0.075 25404 6214 1 20 . 1 1 978 978 LEU N N 978 122.575 122.575 121.993 0.582 25404 6215 1 20 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.944 0.006 25404 6216 1 20 . 1 1 978 978 LEU C C 978 176.975 176.975 177.571 -0.596 25404 6217 1 20 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.576 0.814 25404 6218 1 20 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.614 0.486 25404 6219 1 20 . 1 1 978 978 LEU H H 978 7.648 7.648 7.826 -0.178 25404 6220 1 20 . 1 1 979 979 LYS N N 979 118.441 118.441 118.563 -0.122 25404 6221 1 20 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.722 -0.542 25404 6222 1 20 . 1 1 979 979 LYS C C 979 177.972 177.972 178.446 -0.474 25404 6223 1 20 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.615 0.545 25404 6224 1 20 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.562 1.038 25404 6225 1 20 . 1 1 979 979 LYS H H 979 7.958 7.958 7.798 0.160 25404 6226 1 20 . 1 1 980 980 GLU N N 980 117.008 117.008 120.535 -3.527 25404 6227 1 20 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.978 -0.018 25404 6228 1 20 . 1 1 980 980 GLU C C 980 180.050 180.050 179.202 0.848 25404 6229 1 20 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.265 0.393 25404 6230 1 20 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.208 0.476 25404 6231 1 20 . 1 1 980 980 GLU H H 980 7.994 7.994 8.094 -0.100 25404 6232 1 20 . 1 1 981 981 ARG N N 981 119.530 119.530 118.969 0.561 25404 6233 1 20 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.002 0.178 25404 6234 1 20 . 1 1 981 981 ARG C C 981 179.556 179.556 178.699 0.857 25404 6235 1 20 . 1 1 981 981 ARG CA C 981 56.930 56.930 59.123 -2.193 25404 6236 1 20 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.193 -0.443 25404 6237 1 20 . 1 1 981 981 ARG H H 981 8.159 8.159 8.028 0.131 25404 6238 1 20 . 1 1 982 982 ALA N N 982 126.163 126.163 122.966 3.197 25404 6239 1 20 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.169 0.081 25404 6240 1 20 . 1 1 982 982 ALA C C 982 182.415 182.415 180.276 2.139 25404 6241 1 20 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.985 1.432 25404 6242 1 20 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.751 0.859 25404 6243 1 20 . 1 1 982 982 ALA H H 982 8.947 8.947 8.029 0.918 25404 6244 1 20 . 1 1 983 983 LEU N N 983 119.414 119.414 119.156 0.258 25404 6245 1 20 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.185 0.245 25404 6246 1 20 . 1 1 983 983 LEU C C 983 178.652 178.652 178.946 -0.294 25404 6247 1 20 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.110 0.466 25404 6248 1 20 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.507 -0.137 25404 6249 1 20 . 1 1 983 983 LEU H H 983 8.638 8.638 8.747 -0.109 25404 6250 1 20 . 1 1 984 984 SER N N 984 113.275 113.275 114.012 -0.737 25404 6251 1 20 . 1 1 984 984 SER HA H 984 4.690 4.690 4.411 0.279 25404 6252 1 20 . 1 1 984 984 SER C C 984 174.726 174.726 175.087 -0.361 25404 6253 1 20 . 1 1 984 984 SER CA C 984 59.300 59.300 58.675 0.625 25404 6254 1 20 . 1 1 984 984 SER CB C 984 64.400 64.400 63.408 0.992 25404 6255 1 20 . 1 1 984 984 SER H H 984 7.736 7.736 7.864 -0.128 25404 6256 1 20 . 1 1 985 985 GLY N N 985 108.346 108.346 109.192 -0.846 25404 6257 1 20 . 1 1 985 985 GLY C C 985 174.740 174.740 173.865 0.875 25404 6258 1 20 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.841 0.922 25404 6259 1 20 . 1 1 985 985 GLY H H 985 7.880 7.880 7.638 0.242 25404 6260 1 20 . 1 1 986 986 ALA N N 986 123.024 123.024 122.243 0.781 25404 6261 1 20 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.365 0.025 25404 6262 1 20 . 1 1 986 986 ALA C C 986 177.887 177.887 177.164 0.723 25404 6263 1 20 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.882 1.932 25404 6264 1 20 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.668 0.732 25404 6265 1 20 . 1 1 986 986 ALA H H 986 7.790 7.790 7.907 -0.117 25404 6266 1 20 . 1 1 987 987 SER N N 987 111.887 111.887 115.399 -3.512 25404 6267 1 20 . 1 1 987 987 SER HA H 987 4.730 4.730 4.530 0.200 25404 6268 1 20 . 1 1 987 987 SER C C 987 174.429 174.429 173.906 0.523 25404 6269 1 20 . 1 1 987 987 SER CA C 987 57.629 57.629 58.559 -0.930 25404 6270 1 20 . 1 1 987 987 SER CB C 987 64.309 64.309 63.653 0.656 25404 6271 1 20 . 1 1 987 987 SER H H 987 8.810 8.810 8.667 0.143 25404 6272 1 20 . 1 1 988 988 ASP N N 988 120.053 120.053 123.505 -3.452 25404 6273 1 20 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.612 0.323 25404 6274 1 20 . 1 1 988 988 ASP C C 988 173.389 173.389 175.697 -2.308 25404 6275 1 20 . 1 1 988 988 ASP CA C 988 53.413 53.413 53.465 -0.053 25404 6276 1 20 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.669 -0.509 25404 6277 1 20 . 1 1 988 988 ASP H H 988 7.933 7.933 8.120 -0.187 25404 6278 1 20 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.434 -0.114 25404 6279 1 20 . 1 1 989 989 PRO C C 989 179.464 179.464 177.925 1.539 25404 6280 1 20 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.798 0.958 25404 6281 1 20 . 1 1 989 989 PRO CB C 989 32.642 32.642 32.032 0.610 25404 6282 1 20 . 1 1 990 990 ASP N N 990 118.727 118.727 117.561 1.166 25404 6283 1 20 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.702 -0.115 25404 6284 1 20 . 1 1 990 990 ASP C C 990 178.185 178.185 178.910 -0.725 25404 6285 1 20 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.092 1.035 25404 6286 1 20 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.849 0.341 25404 6287 1 20 . 1 1 990 990 ASP H H 990 8.418 8.418 8.909 -0.491 25404 6288 1 20 . 1 1 991 991 SER N N 991 121.204 121.204 116.463 4.741 25404 6289 1 20 . 1 1 991 991 SER HA H 991 4.278 4.278 4.406 -0.128 25404 6290 1 20 . 1 1 991 991 SER CA C 991 64.100 64.100 61.924 2.176 25404 6291 1 20 . 1 1 991 991 SER CB C 991 62.832 62.832 63.251 -0.419 25404 6292 1 20 . 1 1 991 991 SER H H 991 8.093 8.093 7.838 0.255 25404 6293 1 20 . 1 1 992 992 GLN N N 992 119.137 119.137 120.364 -1.227 25404 6294 1 20 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.045 0.239 25404 6295 1 20 . 1 1 992 992 GLN C C 992 179.621 179.621 178.422 1.199 25404 6296 1 20 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.833 0.837 25404 6297 1 20 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.259 0.471 25404 6298 1 20 . 1 1 992 992 GLN H H 992 8.131 8.131 8.116 0.015 25404 6299 1 20 . 1 1 993 993 ARG N N 993 122.037 122.037 120.108 1.929 25404 6300 1 20 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.146 0.028 25404 6301 1 20 . 1 1 993 993 ARG C C 993 179.465 179.465 178.630 0.835 25404 6302 1 20 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.037 0.855 25404 6303 1 20 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.034 0.258 25404 6304 1 20 . 1 1 993 993 ARG H H 993 8.345 8.345 8.155 0.190 25404 6305 1 20 . 1 1 994 994 TYR N N 994 122.855 122.855 121.733 1.122 25404 6306 1 20 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.361 0.239 25404 6307 1 20 . 1 1 994 994 TYR C C 994 176.468 176.468 177.539 -1.071 25404 6308 1 20 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.321 2.357 25404 6309 1 20 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.309 0.991 25404 6310 1 20 . 1 1 994 994 TYR H H 994 9.285 9.285 8.543 0.742 25404 6311 1 20 . 1 1 995 995 ASN N N 995 117.831 117.831 117.807 0.024 25404 6312 1 20 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.126 0.423 25404 6313 1 20 . 1 1 995 995 ASN C C 995 178.763 178.763 177.787 0.976 25404 6314 1 20 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.198 0.744 25404 6315 1 20 . 1 1 995 995 ASN CB C 995 38.440 38.440 37.855 0.585 25404 6316 1 20 . 1 1 995 995 ASN H H 995 8.678 8.678 8.373 0.305 25404 6317 1 20 . 1 1 996 996 ALA N N 996 122.157 122.157 123.171 -1.014 25404 6318 1 20 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.093 0.277 25404 6319 1 20 . 1 1 996 996 ALA C C 996 179.848 179.848 179.182 0.666 25404 6320 1 20 . 1 1 996 996 ALA CA C 996 55.317 55.317 55.013 0.305 25404 6321 1 20 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.220 0.470 25404 6322 1 20 . 1 1 996 996 ALA H H 996 7.984 7.984 8.156 -0.172 25404 6323 1 20 . 1 1 997 997 TRP N N 997 123.610 123.610 121.444 2.166 25404 6324 1 20 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.177 0.204 25404 6325 1 20 . 1 1 997 997 TRP C C 997 178.383 178.383 178.123 0.260 25404 6326 1 20 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.397 -0.215 25404 6327 1 20 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.151 0.149 25404 6328 1 20 . 1 1 997 997 TRP H H 997 8.760 8.760 8.447 0.313 25404 6329 1 20 . 1 1 998 998 LEU N N 998 120.247 120.247 118.223 2.024 25404 6330 1 20 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.330 0.240 25404 6331 1 20 . 1 1 998 998 LEU C C 998 180.003 180.003 178.715 1.288 25404 6332 1 20 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.734 0.189 25404 6333 1 20 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.184 1.416 25404 6334 1 20 . 1 1 998 998 LEU H H 998 9.030 9.030 7.979 1.051 25404 6335 1 20 . 1 1 999 999 GLU N N 999 118.449 118.449 120.184 -1.735 25404 6336 1 20 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.970 0.096 25404 6337 1 20 . 1 1 999 999 GLU C C 999 178.785 178.785 179.064 -0.279 25404 6338 1 20 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.150 0.323 25404 6339 1 20 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.280 0.580 25404 6340 1 20 . 1 1 999 999 GLU H H 999 7.574 7.574 7.683 -0.109 25404 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 58 2.058 -0.376 2.041 25404 2 1 1 "Average Difference" HA 61 0.229 -0.111 0.202 25404 3 1 1 "Average Difference" C 58 1.013 -0.066 1.019 25404 4 1 1 "Average Difference" CA 60 1.037 -0.431 0.951 25404 5 1 1 "Average Difference" CB 59 0.969 -0.522 0.823 25404 6 1 1 "Average Difference" HN 59 0.546 -0.146 0.530 25404 7 1 2 "Average Difference" N 58 2.392 -0.663 2.318 25404 8 1 2 "Average Difference" HA 61 0.251 -0.137 0.213 25404 9 1 2 "Average Difference" C 58 1.054 -0.095 1.059 25404 10 1 2 "Average Difference" CA 60 1.044 -0.316 1.003 25404 11 1 2 "Average Difference" CB 59 1.055 -0.575 0.892 25404 12 1 2 "Average Difference" HN 59 0.552 -0.179 0.527 25404 13 1 3 "Average Difference" N 58 2.161 -0.477 2.127 25404 14 1 3 "Average Difference" HA 61 0.234 -0.082 0.221 25404 15 1 3 "Average Difference" C 58 1.120 -0.217 1.109 25404 16 1 3 "Average Difference" CA 60 1.037 -0.438 0.948 25404 17 1 3 "Average Difference" CB 59 0.874 -0.357 0.805 25404 18 1 3 "Average Difference" HN 59 0.537 -0.114 0.529 25404 19 1 4 "Average Difference" N 58 2.257 -0.613 2.191 25404 20 1 4 "Average Difference" HA 61 0.250 -0.099 0.231 25404 21 1 4 "Average Difference" C 58 1.043 -0.109 1.047 25404 22 1 4 "Average Difference" CA 60 1.024 -0.371 0.962 25404 23 1 4 "Average Difference" CB 59 0.885 -0.456 0.765 25404 24 1 4 "Average Difference" HN 59 0.551 -0.138 0.538 25404 25 1 5 "Average Difference" N 58 2.555 -0.316 2.557 25404 26 1 5 "Average Difference" HA 61 0.233 -0.101 0.211 25404 27 1 5 "Average Difference" C 58 0.986 -0.116 0.988 25404 28 1 5 "Average Difference" CA 60 1.081 -0.431 1.000 25404 29 1 5 "Average Difference" CB 59 0.972 -0.492 0.846 25404 30 1 5 "Average Difference" HN 59 0.528 -0.144 0.513 25404 31 1 6 "Average Difference" N 58 2.182 -0.310 2.179 25404 32 1 6 "Average Difference" HA 61 0.240 -0.082 0.228 25404 33 1 6 "Average Difference" C 58 1.035 -0.208 1.023 25404 34 1 6 "Average Difference" CA 60 1.008 -0.430 0.919 25404 35 1 6 "Average Difference" CB 59 0.968 -0.371 0.902 25404 36 1 6 "Average Difference" HN 59 0.545 -0.132 0.533 25404 37 1 7 "Average Difference" N 58 2.092 -0.398 2.072 25404 38 1 7 "Average Difference" HA 61 0.231 -0.106 0.208 25404 39 1 7 "Average Difference" C 58 1.026 -0.122 1.027 25404 40 1 7 "Average Difference" CA 60 1.029 -0.450 0.933 25404 41 1 7 "Average Difference" CB 59 0.951 -0.471 0.833 25404 42 1 7 "Average Difference" HN 59 0.533 -0.162 0.512 25404 43 1 8 "Average Difference" N 58 2.324 -0.628 2.257 25404 44 1 8 "Average Difference" HA 61 0.253 -0.116 0.227 25404 45 1 8 "Average Difference" C 58 1.016 -0.172 1.011 25404 46 1 8 "Average Difference" CA 60 1.020 -0.377 0.955 25404 47 1 8 "Average Difference" CB 59 0.899 -0.470 0.773 25404 48 1 8 "Average Difference" HN 59 0.563 -0.132 0.552 25404 49 1 9 "Average Difference" N 58 2.317 -0.501 2.281 25404 50 1 9 "Average Difference" HA 61 0.234 -0.122 0.202 25404 51 1 9 "Average Difference" C 58 1.021 -0.062 1.028 25404 52 1 9 "Average Difference" CA 60 1.084 -0.331 1.041 25404 53 1 9 "Average Difference" CB 59 0.951 -0.498 0.818 25404 54 1 9 "Average Difference" HN 59 0.522 -0.139 0.508 25404 55 1 10 "Average Difference" N 58 2.227 -0.366 2.216 25404 56 1 10 "Average Difference" HA 61 0.254 -0.090 0.239 25404 57 1 10 "Average Difference" C 58 1.064 -0.143 1.063 25404 58 1 10 "Average Difference" CA 60 1.036 -0.418 0.956 25404 59 1 10 "Average Difference" CB 59 0.939 -0.349 0.880 25404 60 1 10 "Average Difference" HN 59 0.539 -0.122 0.530 25404 61 1 11 "Average Difference" N 58 2.456 -0.543 2.416 25404 62 1 11 "Average Difference" HA 61 0.241 -0.135 0.201 25404 63 1 11 "Average Difference" C 58 1.060 -0.032 1.069 25404 64 1 11 "Average Difference" CA 60 1.024 -0.313 0.984 25404 65 1 11 "Average Difference" CB 59 0.992 -0.518 0.853 25404 66 1 11 "Average Difference" HN 59 0.546 -0.136 0.533 25404 67 1 12 "Average Difference" N 58 2.258 -0.553 2.208 25404 68 1 12 "Average Difference" HA 61 0.240 -0.111 0.215 25404 69 1 12 "Average Difference" C 58 1.060 -0.060 1.067 25404 70 1 12 "Average Difference" CA 60 0.968 -0.300 0.928 25404 71 1 12 "Average Difference" CB 59 0.852 -0.465 0.720 25404 72 1 12 "Average Difference" HN 59 0.529 -0.140 0.515 25404 73 1 13 "Average Difference" N 58 2.292 -0.522 2.251 25404 74 1 13 "Average Difference" HA 61 0.232 -0.118 0.201 25404 75 1 13 "Average Difference" C 58 1.018 -0.128 1.019 25404 76 1 13 "Average Difference" CA 60 1.020 -0.454 0.922 25404 77 1 13 "Average Difference" CB 59 0.849 -0.460 0.720 25404 78 1 13 "Average Difference" HN 59 0.558 -0.189 0.530 25404 79 1 14 "Average Difference" N 58 2.152 -0.585 2.089 25404 80 1 14 "Average Difference" HA 61 0.263 -0.111 0.240 25404 81 1 14 "Average Difference" C 58 1.046 -0.077 1.052 25404 82 1 14 "Average Difference" CA 60 1.035 -0.301 0.999 25404 83 1 14 "Average Difference" CB 59 0.975 -0.476 0.859 25404 84 1 14 "Average Difference" HN 59 0.512 -0.112 0.504 25404 85 1 15 "Average Difference" N 58 2.248 -0.620 2.179 25404 86 1 15 "Average Difference" HA 61 0.228 -0.115 0.198 25404 87 1 15 "Average Difference" C 58 1.071 -0.027 1.080 25404 88 1 15 "Average Difference" CA 60 1.009 -0.295 0.973 25404 89 1 15 "Average Difference" CB 59 0.898 -0.475 0.769 25404 90 1 15 "Average Difference" HN 59 0.550 -0.177 0.525 25404 91 1 16 "Average Difference" N 58 2.014 -0.371 1.997 25404 92 1 16 "Average Difference" HA 61 0.236 -0.116 0.207 25404 93 1 16 "Average Difference" C 58 1.008 -0.058 1.016 25404 94 1 16 "Average Difference" CA 60 1.068 -0.357 1.015 25404 95 1 16 "Average Difference" CB 59 0.949 -0.529 0.794 25404 96 1 16 "Average Difference" HN 59 0.545 -0.178 0.520 25404 97 1 17 "Average Difference" N 58 2.291 -0.407 2.274 25404 98 1 17 "Average Difference" HA 61 0.233 -0.117 0.203 25404 99 1 17 "Average Difference" C 58 1.064 0.005 1.073 25404 100 1 17 "Average Difference" CA 60 1.028 -0.272 1.000 25404 101 1 17 "Average Difference" CB 59 0.871 -0.465 0.743 25404 102 1 17 "Average Difference" HN 59 0.545 -0.153 0.527 25404 103 1 18 "Average Difference" N 58 2.067 -0.542 2.012 25404 104 1 18 "Average Difference" HA 61 0.241 -0.123 0.209 25404 105 1 18 "Average Difference" C 58 1.053 0.015 1.062 25404 106 1 18 "Average Difference" CA 60 1.019 -0.314 0.977 25404 107 1 18 "Average Difference" CB 59 0.976 -0.520 0.833 25404 108 1 18 "Average Difference" HN 59 0.540 -0.134 0.527 25404 109 1 19 "Average Difference" N 58 2.339 -0.667 2.262 25404 110 1 19 "Average Difference" HA 61 0.261 -0.133 0.227 25404 111 1 19 "Average Difference" C 58 1.149 -0.015 1.159 25404 112 1 19 "Average Difference" CA 60 1.047 -0.289 1.015 25404 113 1 19 "Average Difference" CB 59 0.989 -0.557 0.824 25404 114 1 19 "Average Difference" HN 59 0.550 -0.163 0.529 25404 115 1 20 "Average Difference" N 58 2.205 -0.512 2.163 25404 116 1 20 "Average Difference" HA 61 0.240 -0.114 0.213 25404 117 1 20 "Average Difference" C 58 1.074 -0.049 1.082 25404 118 1 20 "Average Difference" CA 60 1.058 -0.362 1.003 25404 119 1 20 "Average Difference" CB 59 0.909 -0.492 0.771 25404 120 1 20 "Average Difference" HN 59 0.539 -0.148 0.523 25404 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 25404 _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 1 946 946 ALA HA H 946 4.400 4.400 4.434 -0.034 25404 2 1 . 1 1 946 946 ALA C C 946 177.730 177.730 177.838 -0.108 25404 3 1 . 1 1 946 946 ALA CA C 946 52.945 52.945 52.243 0.702 25404 4 1 . 1 1 946 946 ALA CB C 946 19.770 19.770 19.395 0.375 25404 5 1 . 1 1 946 946 ALA H H 946 8.480 8.480 8.110 0.370 25404 6 1 . 1 1 947 947 MET N N 947 119.619 119.619 118.956 0.663 25404 7 1 . 1 1 947 947 MET HA H 947 4.520 4.520 4.266 0.254 25404 8 1 . 1 1 947 947 MET C C 947 175.878 175.878 176.292 -0.414 25404 9 1 . 1 1 947 947 MET CA C 947 55.676 55.676 55.676 -0.000 25404 10 1 . 1 1 947 947 MET CB C 947 33.450 33.450 31.837 1.613 25404 11 1 . 1 1 947 947 MET H H 947 8.468 8.468 8.369 0.099 25404 12 1 . 1 1 948 948 ALA N N 948 125.737 125.737 122.885 2.852 25404 13 1 . 1 1 948 948 ALA HA H 948 4.167 4.167 4.257 -0.090 25404 14 1 . 1 1 948 948 ALA C C 948 177.203 177.203 177.656 -0.453 25404 15 1 . 1 1 948 948 ALA CA C 948 52.810 52.810 52.891 -0.081 25404 16 1 . 1 1 948 948 ALA CB C 948 19.522 19.522 18.922 0.600 25404 17 1 . 1 1 948 948 ALA H H 948 8.432 8.432 7.878 0.553 25404 18 1 . 1 1 949 949 ILE N N 949 119.982 119.982 116.961 3.021 25404 19 1 . 1 1 949 949 ILE HA H 949 4.200 4.200 4.157 0.043 25404 20 1 . 1 1 949 949 ILE C C 949 175.237 175.237 175.816 -0.579 25404 21 1 . 1 1 949 949 ILE CA C 949 61.400 61.400 61.165 0.235 25404 22 1 . 1 1 949 949 ILE CB C 949 39.460 39.460 38.584 0.876 25404 23 1 . 1 1 949 949 ILE H H 949 8.049 8.049 7.899 0.150 25404 24 1 . 1 1 950 950 ALA N N 950 127.463 127.463 124.595 2.868 25404 25 1 . 1 1 950 950 ALA HA H 950 4.510 4.510 4.231 0.279 25404 26 1 . 1 1 950 950 ALA C C 950 176.693 176.693 176.920 -0.227 25404 27 1 . 1 1 950 950 ALA CA C 950 52.091 52.091 52.510 -0.419 25404 28 1 . 1 1 950 950 ALA CB C 950 20.060 20.060 18.611 1.449 25404 29 1 . 1 1 950 950 ALA H H 950 8.286 8.286 8.239 0.047 25404 30 1 . 1 1 951 951 LEU N N 951 120.899 120.899 119.750 1.149 25404 31 1 . 1 1 951 951 LEU HA H 951 4.600 4.600 4.297 0.303 25404 32 1 . 1 1 951 951 LEU C C 951 177.680 177.680 176.495 1.185 25404 33 1 . 1 1 951 951 LEU CA C 951 54.601 54.601 54.963 -0.362 25404 34 1 . 1 1 951 951 LEU CB C 951 44.200 44.200 42.699 1.501 25404 35 1 . 1 1 951 951 LEU H H 951 8.098 8.098 7.749 0.349 25404 36 1 . 1 1 952 952 ARG N N 952 122.793 122.793 121.318 1.475 25404 37 1 . 1 1 952 952 ARG HA H 952 4.557 4.557 4.383 0.174 25404 38 1 . 1 1 952 952 ARG C C 952 177.543 177.543 177.111 0.432 25404 39 1 . 1 1 952 952 ARG CA C 952 56.276 56.276 55.718 0.558 25404 40 1 . 1 1 952 952 ARG CB C 952 32.830 32.830 31.124 1.706 25404 41 1 . 1 1 952 952 ARG H H 952 9.312 9.312 8.347 0.965 25404 42 1 . 1 1 953 953 ASP N N 953 122.129 122.129 121.047 1.082 25404 43 1 . 1 1 953 953 ASP HA H 953 4.490 4.490 4.392 0.098 25404 44 1 . 1 1 953 953 ASP C C 953 177.472 177.472 178.157 -0.685 25404 45 1 . 1 1 953 953 ASP CA C 953 58.086 58.086 58.112 -0.026 25404 46 1 . 1 1 953 953 ASP CB C 953 40.480 40.480 40.346 0.134 25404 47 1 . 1 1 953 953 ASP H H 953 8.959 8.959 8.843 0.116 25404 48 1 . 1 1 954 954 ASP N N 954 116.531 116.531 118.881 -2.350 25404 49 1 . 1 1 954 954 ASP HA H 954 4.630 4.630 4.490 0.140 25404 50 1 . 1 1 954 954 ASP C C 954 178.707 178.707 178.513 0.194 25404 51 1 . 1 1 954 954 ASP CA C 954 56.901 56.901 57.245 -0.344 25404 52 1 . 1 1 954 954 ASP CB C 954 40.100 40.100 40.351 -0.251 25404 53 1 . 1 1 954 954 ASP H H 954 8.776 8.776 8.616 0.160 25404 54 1 . 1 1 955 955 GLU N N 955 121.514 121.514 120.270 1.244 25404 55 1 . 1 1 955 955 GLU HA H 955 4.550 4.550 4.250 0.300 25404 56 1 . 1 1 955 955 GLU C C 955 177.302 177.302 178.917 -1.615 25404 57 1 . 1 1 955 955 GLU CA C 955 59.319 59.319 59.145 0.174 25404 58 1 . 1 1 955 955 GLU CB C 955 31.840 31.840 29.301 2.539 25404 59 1 . 1 1 955 955 GLU H H 955 7.692 7.692 8.564 -0.872 25404 60 1 . 1 1 956 956 TYR N N 956 120.780 120.780 121.437 -0.656 25404 61 1 . 1 1 956 956 TYR HA H 956 4.290 4.290 4.235 0.055 25404 62 1 . 1 1 956 956 TYR C C 956 177.098 177.098 177.531 -0.433 25404 63 1 . 1 1 956 956 TYR CA C 956 62.950 62.950 61.977 0.973 25404 64 1 . 1 1 956 956 TYR CB C 956 38.412 38.412 38.611 -0.199 25404 65 1 . 1 1 956 956 TYR H H 956 8.425 8.425 8.884 -0.459 25404 66 1 . 1 1 957 957 ASP N N 957 118.102 118.102 118.663 -0.561 25404 67 1 . 1 1 957 957 ASP HA H 957 4.370 4.370 4.325 0.045 25404 68 1 . 1 1 957 957 ASP C C 957 177.919 177.919 178.550 -0.631 25404 69 1 . 1 1 957 957 ASP CA C 957 57.654 57.654 57.379 0.275 25404 70 1 . 1 1 957 957 ASP CB C 957 40.531 40.531 40.501 0.029 25404 71 1 . 1 1 957 957 ASP H H 957 8.169 8.169 8.064 0.105 25404 72 1 . 1 1 958 958 GLU N N 958 121.150 121.150 121.132 0.018 25404 73 1 . 1 1 958 958 GLU HA H 958 4.060 4.060 4.191 -0.131 25404 74 1 . 1 1 958 958 GLU CA C 958 61.110 61.110 59.286 1.824 25404 75 1 . 1 1 958 958 GLU CB C 958 30.830 30.830 29.726 1.104 25404 76 1 . 1 1 958 958 GLU H H 958 7.782 7.782 7.745 0.037 25404 77 1 . 1 1 959 959 TRP N N 959 120.489 120.489 122.019 -1.530 25404 78 1 . 1 1 959 959 TRP HA H 959 3.369 3.369 3.653 -0.284 25404 79 1 . 1 1 959 959 TRP C C 959 176.651 176.651 177.946 -1.295 25404 80 1 . 1 1 959 959 TRP CA C 959 58.791 58.791 61.030 -2.239 25404 81 1 . 1 1 959 959 TRP CB C 959 27.770 27.770 29.059 -1.289 25404 82 1 . 1 1 959 959 TRP H H 959 8.089 8.089 8.334 -0.245 25404 83 1 . 1 1 960 960 GLN N N 960 113.509 113.509 116.521 -3.012 25404 84 1 . 1 1 960 960 GLN HA H 960 3.120 3.120 3.236 -0.116 25404 85 1 . 1 1 960 960 GLN C C 960 179.089 179.089 178.540 0.549 25404 86 1 . 1 1 960 960 GLN CA C 960 58.331 58.331 58.552 -0.221 25404 87 1 . 1 1 960 960 GLN CB C 960 28.470 28.470 27.491 0.979 25404 88 1 . 1 1 960 960 GLN H H 960 7.946 7.946 7.843 0.103 25404 89 1 . 1 1 961 961 ASP N N 961 120.534 120.534 120.698 -0.164 25404 90 1 . 1 1 961 961 ASP HA H 961 4.520 4.520 4.358 0.162 25404 91 1 . 1 1 961 961 ASP C C 961 177.660 177.660 178.701 -1.041 25404 92 1 . 1 1 961 961 ASP CA C 961 57.459 57.459 57.178 0.281 25404 93 1 . 1 1 961 961 ASP CB C 961 40.370 40.370 40.565 -0.195 25404 94 1 . 1 1 961 961 ASP H H 961 8.253 8.253 8.055 0.198 25404 95 1 . 1 1 962 962 ILE N N 962 124.280 124.280 120.840 3.440 25404 96 1 . 1 1 962 962 ILE HA H 962 3.070 3.070 2.999 0.071 25404 97 1 . 1 1 962 962 ILE C C 962 177.301 177.301 177.011 0.290 25404 98 1 . 1 1 962 962 ILE CA C 962 66.100 66.100 63.677 2.423 25404 99 1 . 1 1 962 962 ILE CB C 962 36.770 36.770 37.703 -0.933 25404 100 1 . 1 1 962 962 ILE H H 962 8.600 8.600 7.681 0.919 25404 101 1 . 1 1 963 963 ILE N N 963 121.368 121.368 120.510 0.858 25404 102 1 . 1 1 963 963 ILE HA H 963 3.860 3.860 3.591 0.269 25404 103 1 . 1 1 963 963 ILE C C 963 179.751 179.751 177.687 2.064 25404 104 1 . 1 1 963 963 ILE CA C 963 65.109 65.109 65.368 -0.260 25404 105 1 . 1 1 963 963 ILE CB C 963 38.490 38.490 37.370 1.120 25404 106 1 . 1 1 963 963 ILE H H 963 7.377 7.377 7.475 -0.098 25404 107 1 . 1 1 964 964 ARG N N 964 119.627 119.627 119.213 0.414 25404 108 1 . 1 1 964 964 ARG HA H 964 4.070 4.070 3.836 0.234 25404 109 1 . 1 1 964 964 ARG C C 964 179.065 179.065 178.584 0.481 25404 110 1 . 1 1 964 964 ARG CA C 964 59.154 59.154 59.468 -0.314 25404 111 1 . 1 1 964 964 ARG CB C 964 30.800 30.800 29.836 0.964 25404 112 1 . 1 1 964 964 ARG H H 964 7.209 7.209 7.678 -0.469 25404 113 1 . 1 1 965 965 ASP N N 965 119.847 119.847 120.146 -0.299 25404 114 1 . 1 1 965 965 ASP HA H 965 4.620 4.620 4.256 0.364 25404 115 1 . 1 1 965 965 ASP C C 965 178.787 178.787 177.201 1.586 25404 116 1 . 1 1 965 965 ASP CA C 965 57.417 57.417 56.556 0.861 25404 117 1 . 1 1 965 965 ASP CB C 965 40.615 40.615 40.126 0.489 25404 118 1 . 1 1 965 965 ASP H H 965 9.098 9.098 7.658 1.440 25404 119 1 . 1 1 966 966 TRP N N 966 118.678 118.678 116.847 1.831 25404 120 1 . 1 1 966 966 TRP HA H 966 4.740 4.740 4.541 0.199 25404 121 1 . 1 1 966 966 TRP C C 966 176.094 176.094 175.983 0.111 25404 122 1 . 1 1 966 966 TRP CA C 966 56.843 56.843 56.808 0.035 25404 123 1 . 1 1 966 966 TRP CB C 966 28.600 28.600 29.669 -1.069 25404 124 1 . 1 1 966 966 TRP H H 966 9.253 9.253 7.276 1.977 25404 125 1 . 1 1 967 967 ARG N N 967 116.998 116.998 114.874 2.124 25404 126 1 . 1 1 967 967 ARG HA H 967 4.030 4.030 3.910 0.120 25404 127 1 . 1 1 967 967 ARG C C 967 174.965 174.965 175.263 -0.298 25404 128 1 . 1 1 967 967 ARG CA C 967 57.006 57.006 57.451 -0.445 25404 129 1 . 1 1 967 967 ARG CB C 967 26.966 26.966 27.502 -0.536 25404 130 1 . 1 1 967 967 ARG H H 967 7.762 7.762 7.744 0.018 25404 131 1 . 1 1 968 968 LYS N N 968 117.708 117.708 117.357 0.351 25404 132 1 . 1 1 968 968 LYS HA H 968 4.640 4.640 4.550 0.090 25404 133 1 . 1 1 968 968 LYS C C 968 174.258 174.258 174.437 -0.179 25404 134 1 . 1 1 968 968 LYS CA C 968 55.239 55.239 54.644 0.595 25404 135 1 . 1 1 968 968 LYS CB C 968 36.114 36.114 34.935 1.179 25404 136 1 . 1 1 968 968 LYS H H 968 7.462 7.462 7.571 -0.109 25404 137 1 . 1 1 969 969 GLU N N 969 123.352 123.352 121.201 2.151 25404 138 1 . 1 1 969 969 GLU HA H 969 4.167 4.167 4.332 -0.165 25404 139 1 . 1 1 969 969 GLU C C 969 175.962 175.962 175.466 0.496 25404 140 1 . 1 1 969 969 GLU CA C 969 57.146 57.146 56.388 0.758 25404 141 1 . 1 1 969 969 GLU CB C 969 29.500 29.500 30.482 -0.982 25404 142 1 . 1 1 969 969 GLU H H 969 8.559 8.559 8.437 0.122 25404 143 1 . 1 1 970 970 MET N N 970 121.247 121.247 120.865 0.382 25404 144 1 . 1 1 970 970 MET HA H 970 4.920 4.920 4.889 0.031 25404 145 1 . 1 1 970 970 MET C C 970 176.884 176.884 174.930 1.954 25404 146 1 . 1 1 970 970 MET CA C 970 55.546 55.546 53.970 1.576 25404 147 1 . 1 1 970 970 MET CB C 970 36.772 36.772 35.712 1.060 25404 148 1 . 1 1 970 970 MET H H 970 7.314 7.314 8.062 -0.748 25404 149 1 . 1 1 971 971 THR N N 971 118.284 118.284 111.132 7.152 25404 150 1 . 1 1 971 971 THR HA H 971 4.740 4.740 4.789 -0.049 25404 151 1 . 1 1 971 971 THR C C 971 175.112 175.112 175.282 -0.170 25404 152 1 . 1 1 971 971 THR CA C 971 61.582 61.582 61.047 0.535 25404 153 1 . 1 1 971 971 THR CB C 971 71.203 71.203 70.447 0.756 25404 154 1 . 1 1 971 971 THR H H 971 9.129 9.129 8.191 0.938 25404 155 1 . 1 1 972 972 VAL N N 972 121.240 121.240 122.199 -0.958 25404 156 1 . 1 1 972 972 VAL HA H 972 2.730 2.730 3.103 -0.372 25404 157 1 . 1 1 972 972 VAL C C 972 177.014 177.014 177.855 -0.841 25404 158 1 . 1 1 972 972 VAL CA C 972 67.110 67.110 65.576 1.534 25404 159 1 . 1 1 972 972 VAL CB C 972 31.300 31.300 31.144 0.156 25404 160 1 . 1 1 972 972 VAL H H 972 8.745 8.745 8.333 0.412 25404 161 1 . 1 1 973 973 GLN N N 973 117.672 117.672 118.193 -0.521 25404 162 1 . 1 1 973 973 GLN HA H 973 3.830 3.830 3.891 -0.061 25404 163 1 . 1 1 973 973 GLN C C 973 178.206 178.206 178.394 -0.188 25404 164 1 . 1 1 973 973 GLN CA C 973 59.480 59.480 59.445 0.035 25404 165 1 . 1 1 973 973 GLN CB C 973 28.920 28.920 28.018 0.902 25404 166 1 . 1 1 973 973 GLN H H 973 8.179 8.179 8.544 -0.365 25404 167 1 . 1 1 974 974 GLN N N 974 118.023 118.023 118.745 -0.722 25404 168 1 . 1 1 974 974 GLN HA H 974 4.090 4.090 4.016 0.074 25404 169 1 . 1 1 974 974 GLN C C 974 179.457 179.457 178.370 1.087 25404 170 1 . 1 1 974 974 GLN CA C 974 59.123 59.123 58.734 0.389 25404 171 1 . 1 1 974 974 GLN CB C 974 29.150 29.150 28.096 1.054 25404 172 1 . 1 1 974 974 GLN H H 974 7.797 7.797 7.715 0.082 25404 173 1 . 1 1 975 975 PHE N N 975 121.801 121.801 121.196 0.605 25404 174 1 . 1 1 975 975 PHE HA H 975 4.350 4.350 4.190 0.160 25404 175 1 . 1 1 975 975 PHE C C 975 175.313 175.313 177.107 -1.794 25404 176 1 . 1 1 975 975 PHE CA C 975 60.973 60.973 60.920 0.053 25404 177 1 . 1 1 975 975 PHE CB C 975 39.715 39.715 38.968 0.747 25404 178 1 . 1 1 975 975 PHE H H 975 8.290 8.290 7.643 0.647 25404 179 1 . 1 1 976 976 LEU N N 976 119.703 119.703 120.035 -0.332 25404 180 1 . 1 1 976 976 LEU HA H 976 3.524 3.524 3.588 -0.064 25404 181 1 . 1 1 976 976 LEU C C 976 180.091 180.091 178.522 1.569 25404 182 1 . 1 1 976 976 LEU CA C 976 58.014 58.014 58.161 -0.147 25404 183 1 . 1 1 976 976 LEU CB C 976 41.427 41.427 40.976 0.451 25404 184 1 . 1 1 976 976 LEU H H 976 8.538 8.538 8.453 0.085 25404 185 1 . 1 1 977 977 ASP N N 977 119.392 119.392 119.613 -0.221 25404 186 1 . 1 1 977 977 ASP HA H 977 4.310 4.310 4.319 -0.009 25404 187 1 . 1 1 977 977 ASP C C 977 178.035 178.035 178.578 -0.543 25404 188 1 . 1 1 977 977 ASP CA C 977 57.444 57.444 56.952 0.492 25404 189 1 . 1 1 977 977 ASP CB C 977 41.102 41.102 40.859 0.243 25404 190 1 . 1 1 977 977 ASP H H 977 8.274 8.274 8.155 0.119 25404 191 1 . 1 1 978 978 LEU N N 978 122.575 122.575 121.037 1.538 25404 192 1 . 1 1 978 978 LEU HA H 978 3.950 3.950 3.936 0.014 25404 193 1 . 1 1 978 978 LEU C C 978 176.975 176.975 177.851 -0.876 25404 194 1 . 1 1 978 978 LEU CA C 978 58.390 58.390 57.699 0.691 25404 195 1 . 1 1 978 978 LEU CB C 978 42.100 42.100 41.694 0.406 25404 196 1 . 1 1 978 978 LEU H H 978 7.648 7.648 7.883 -0.235 25404 197 1 . 1 1 979 979 LYS N N 979 118.441 118.441 118.262 0.179 25404 198 1 . 1 1 979 979 LYS HA H 979 3.180 3.180 3.617 -0.437 25404 199 1 . 1 1 979 979 LYS C C 979 177.972 177.972 178.278 -0.306 25404 200 1 . 1 1 979 979 LYS CA C 979 60.160 60.160 59.492 0.668 25404 201 1 . 1 1 979 979 LYS CB C 979 32.600 32.600 31.391 1.209 25404 202 1 . 1 1 979 979 LYS H H 979 7.958 7.958 7.987 -0.029 25404 203 1 . 1 1 980 980 GLU N N 980 117.008 117.008 120.636 -3.628 25404 204 1 . 1 1 980 980 GLU HA H 980 3.960 3.960 3.918 0.042 25404 205 1 . 1 1 980 980 GLU C C 980 180.050 180.050 179.109 0.941 25404 206 1 . 1 1 980 980 GLU CA C 980 59.658 59.658 59.486 0.172 25404 207 1 . 1 1 980 980 GLU CB C 980 29.684 29.684 29.383 0.301 25404 208 1 . 1 1 980 980 GLU H H 980 7.994 7.994 8.084 -0.090 25404 209 1 . 1 1 981 981 ARG N N 981 119.530 119.530 118.765 0.765 25404 210 1 . 1 1 981 981 ARG HA H 981 4.180 4.180 4.013 0.167 25404 211 1 . 1 1 981 981 ARG C C 981 179.556 179.556 178.746 0.810 25404 212 1 . 1 1 981 981 ARG CA C 981 56.930 56.930 58.957 -2.027 25404 213 1 . 1 1 981 981 ARG CB C 981 29.750 29.750 30.100 -0.350 25404 214 1 . 1 1 981 981 ARG H H 981 8.159 8.159 7.944 0.215 25404 215 1 . 1 1 982 982 ALA N N 982 126.163 126.163 122.887 3.276 25404 216 1 . 1 1 982 982 ALA HA H 982 4.250 4.250 4.197 0.053 25404 217 1 . 1 1 982 982 ALA C C 982 182.415 182.415 180.427 1.989 25404 218 1 . 1 1 982 982 ALA CA C 982 56.417 56.417 54.871 1.546 25404 219 1 . 1 1 982 982 ALA CB C 982 19.610 19.610 18.666 0.944 25404 220 1 . 1 1 982 982 ALA H H 982 8.947 8.947 8.154 0.793 25404 221 1 . 1 1 983 983 LEU N N 983 119.414 119.414 119.205 0.209 25404 222 1 . 1 1 983 983 LEU HA H 983 4.430 4.430 4.189 0.241 25404 223 1 . 1 1 983 983 LEU C C 983 178.652 178.652 178.907 -0.255 25404 224 1 . 1 1 983 983 LEU CA C 983 57.576 57.576 57.161 0.414 25404 225 1 . 1 1 983 983 LEU CB C 983 41.370 41.370 41.698 -0.328 25404 226 1 . 1 1 983 983 LEU H H 983 8.638 8.638 8.704 -0.066 25404 227 1 . 1 1 984 984 SER N N 984 113.275 113.275 113.591 -0.316 25404 228 1 . 1 1 984 984 SER HA H 984 4.690 4.690 4.423 0.267 25404 229 1 . 1 1 984 984 SER C C 984 174.726 174.726 175.156 -0.430 25404 230 1 . 1 1 984 984 SER CA C 984 59.300 59.300 58.649 0.651 25404 231 1 . 1 1 984 984 SER CB C 984 64.400 64.400 63.575 0.825 25404 232 1 . 1 1 984 984 SER H H 984 7.736 7.736 7.867 -0.131 25404 233 1 . 1 1 985 985 GLY N N 985 108.346 108.346 108.725 -0.379 25404 234 1 . 1 1 985 985 GLY C C 985 174.740 174.740 173.911 0.829 25404 235 1 . 1 1 985 985 GLY CA C 985 45.763 45.763 44.841 0.922 25404 236 1 . 1 1 985 985 GLY H H 985 7.880 7.880 7.643 0.237 25404 237 1 . 1 1 986 986 ALA N N 986 123.024 123.024 122.226 0.798 25404 238 1 . 1 1 986 986 ALA HA H 986 4.390 4.390 4.353 0.036 25404 239 1 . 1 1 986 986 ALA C C 986 177.887 177.887 177.066 0.820 25404 240 1 . 1 1 986 986 ALA CA C 986 53.814 53.814 51.809 2.005 25404 241 1 . 1 1 986 986 ALA CB C 986 20.400 20.400 19.866 0.534 25404 242 1 . 1 1 986 986 ALA H H 986 7.790 7.790 7.930 -0.140 25404 243 1 . 1 1 987 987 SER N N 987 111.887 111.887 115.163 -3.276 25404 244 1 . 1 1 987 987 SER HA H 987 4.730 4.730 4.457 0.273 25404 245 1 . 1 1 987 987 SER C C 987 174.429 174.429 173.958 0.471 25404 246 1 . 1 1 987 987 SER CA C 987 57.629 57.629 58.256 -0.627 25404 247 1 . 1 1 987 987 SER CB C 987 64.309 64.309 63.711 0.598 25404 248 1 . 1 1 987 987 SER H H 987 8.810 8.810 8.585 0.225 25404 249 1 . 1 1 988 988 ASP N N 988 120.053 120.053 123.502 -3.449 25404 250 1 . 1 1 988 988 ASP HA H 988 4.935 4.935 4.624 0.311 25404 251 1 . 1 1 988 988 ASP C C 988 173.389 173.389 176.238 -2.849 25404 252 1 . 1 1 988 988 ASP CA C 988 53.413 53.413 54.137 -0.725 25404 253 1 . 1 1 988 988 ASP CB C 988 40.160 40.160 40.854 -0.694 25404 254 1 . 1 1 988 988 ASP H H 988 7.933 7.933 7.955 -0.022 25404 255 1 . 1 1 989 989 PRO HA H 989 4.320 4.320 4.273 0.047 25404 256 1 . 1 1 989 989 PRO C C 989 179.464 179.464 177.948 1.516 25404 257 1 . 1 1 989 989 PRO CA C 989 66.756 66.756 65.752 1.004 25404 258 1 . 1 1 989 989 PRO CB C 989 32.642 32.642 31.929 0.713 25404 259 1 . 1 1 990 990 ASP N N 990 118.727 118.727 117.658 1.069 25404 260 1 . 1 1 990 990 ASP HA H 990 4.587 4.587 4.573 0.014 25404 261 1 . 1 1 990 990 ASP C C 990 178.185 178.185 178.847 -0.662 25404 262 1 . 1 1 990 990 ASP CA C 990 58.127 58.127 57.271 0.856 25404 263 1 . 1 1 990 990 ASP CB C 990 40.190 40.190 39.888 0.302 25404 264 1 . 1 1 990 990 ASP H H 990 8.418 8.418 8.794 -0.376 25404 265 1 . 1 1 991 991 SER N N 991 121.204 121.204 116.303 4.901 25404 266 1 . 1 1 991 991 SER HA H 991 4.278 4.278 4.326 -0.048 25404 267 1 . 1 1 991 991 SER CA C 991 64.100 64.100 61.754 2.346 25404 268 1 . 1 1 991 991 SER CB C 991 62.832 62.832 63.204 -0.372 25404 269 1 . 1 1 991 991 SER H H 991 8.093 8.093 7.938 0.155 25404 270 1 . 1 1 992 992 GLN N N 992 119.137 119.137 120.521 -1.384 25404 271 1 . 1 1 992 992 GLN HA H 992 4.284 4.284 4.094 0.189 25404 272 1 . 1 1 992 992 GLN C C 992 179.621 179.621 178.628 0.993 25404 273 1 . 1 1 992 992 GLN CA C 992 59.670 59.670 58.790 0.880 25404 274 1 . 1 1 992 992 GLN CB C 992 28.730 28.730 28.294 0.436 25404 275 1 . 1 1 992 992 GLN H H 992 8.131 8.131 8.056 0.075 25404 276 1 . 1 1 993 993 ARG N N 993 122.037 122.037 120.230 1.807 25404 277 1 . 1 1 993 993 ARG HA H 993 4.174 4.174 4.147 0.027 25404 278 1 . 1 1 993 993 ARG C C 993 179.465 179.465 178.752 0.713 25404 279 1 . 1 1 993 993 ARG CA C 993 59.892 59.892 59.272 0.620 25404 280 1 . 1 1 993 993 ARG CB C 993 30.292 30.292 30.139 0.153 25404 281 1 . 1 1 993 993 ARG H H 993 8.345 8.345 8.246 0.099 25404 282 1 . 1 1 994 994 TYR N N 994 122.855 122.855 121.749 1.106 25404 283 1 . 1 1 994 994 TYR HA H 994 4.600 4.600 4.412 0.188 25404 284 1 . 1 1 994 994 TYR C C 994 176.468 176.468 177.579 -1.111 25404 285 1 . 1 1 994 994 TYR CA C 994 63.678 63.678 61.397 2.281 25404 286 1 . 1 1 994 994 TYR CB C 994 39.300 39.300 38.378 0.922 25404 287 1 . 1 1 994 994 TYR H H 994 9.285 9.285 8.473 0.812 25404 288 1 . 1 1 995 995 ASN N N 995 117.831 117.831 117.813 0.018 25404 289 1 . 1 1 995 995 ASN HA H 995 4.549 4.549 4.159 0.390 25404 290 1 . 1 1 995 995 ASN C C 995 178.763 178.763 177.714 1.049 25404 291 1 . 1 1 995 995 ASN CA C 995 56.942 56.942 56.370 0.572 25404 292 1 . 1 1 995 995 ASN CB C 995 38.440 38.440 38.150 0.290 25404 293 1 . 1 1 995 995 ASN H H 995 8.678 8.678 8.425 0.253 25404 294 1 . 1 1 996 996 ALA N N 996 122.157 122.157 123.928 -1.771 25404 295 1 . 1 1 996 996 ALA HA H 996 4.370 4.370 4.129 0.241 25404 296 1 . 1 1 996 996 ALA C C 996 179.848 179.848 179.075 0.773 25404 297 1 . 1 1 996 996 ALA CA C 996 55.317 55.317 54.913 0.404 25404 298 1 . 1 1 996 996 ALA CB C 996 18.690 18.690 18.481 0.209 25404 299 1 . 1 1 996 996 ALA H H 996 7.984 7.984 8.199 -0.215 25404 300 1 . 1 1 997 997 TRP N N 997 123.610 123.610 121.334 2.276 25404 301 1 . 1 1 997 997 TRP HA H 997 4.381 4.381 4.196 0.185 25404 302 1 . 1 1 997 997 TRP C C 997 178.383 178.383 177.839 0.544 25404 303 1 . 1 1 997 997 TRP CA C 997 62.182 62.182 62.028 0.154 25404 304 1 . 1 1 997 997 TRP CB C 997 29.300 29.300 29.143 0.157 25404 305 1 . 1 1 997 997 TRP H H 997 8.760 8.760 8.425 0.335 25404 306 1 . 1 1 998 998 LEU N N 998 120.247 120.247 118.384 1.863 25404 307 1 . 1 1 998 998 LEU HA H 998 3.570 3.570 3.333 0.237 25404 308 1 . 1 1 998 998 LEU C C 998 180.003 180.003 178.721 1.282 25404 309 1 . 1 1 998 998 LEU CA C 998 57.923 57.923 57.866 0.057 25404 310 1 . 1 1 998 998 LEU CB C 998 42.600 42.600 41.240 1.361 25404 311 1 . 1 1 998 998 LEU H H 998 9.030 9.030 8.001 1.029 25404 312 1 . 1 1 999 999 GLU N N 999 118.449 118.449 120.310 -1.861 25404 313 1 . 1 1 999 999 GLU HA H 999 4.066 4.066 3.935 0.131 25404 314 1 . 1 1 999 999 GLU C C 999 178.785 178.785 179.096 -0.311 25404 315 1 . 1 1 999 999 GLU CA C 999 59.473 59.473 59.496 -0.023 25404 316 1 . 1 1 999 999 GLU CB C 999 29.860 29.860 29.532 0.328 25404 317 1 . 1 1 999 999 GLU H H 999 7.574 7.574 7.684 -0.110 25404 stop_ save_