data_18234 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18234 _Entry.PDB_ID 2LP4 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 18234 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 3 121.390 121.390 124.943 -3.553 18234 2 1 1 . 1 1 2 2 ASP H H 3 8.589 8.589 8.508 0.081 18234 3 1 1 . 1 1 3 3 LYS N N 4 122.470 122.470 126.710 -4.240 18234 4 1 1 . 1 1 3 3 LYS H H 4 8.529 8.529 8.025 0.504 18234 5 1 1 . 1 1 4 4 GLU N N 5 119.020 119.020 121.422 -2.402 18234 6 1 1 . 1 1 4 4 GLU H H 5 8.702 8.702 8.163 0.539 18234 7 1 1 . 1 1 5 5 LEU N N 6 124.230 124.230 121.082 3.148 18234 8 1 1 . 1 1 5 5 LEU H H 6 7.530 7.530 7.683 -0.152 18234 9 1 1 . 1 1 6 6 LYS N N 7 126.090 126.090 118.945 7.145 18234 10 1 1 . 1 1 6 6 LYS H H 7 8.486 8.486 6.917 1.569 18234 11 1 1 . 1 1 7 7 PHE N N 8 128.540 128.540 117.683 10.857 18234 12 1 1 . 1 1 7 7 PHE H H 8 9.206 9.206 7.480 1.726 18234 13 1 1 . 1 1 8 8 LEU N N 9 121.920 121.920 121.853 0.067 18234 14 1 1 . 1 1 8 8 LEU H H 9 8.827 8.827 7.369 1.458 18234 15 1 1 . 1 1 9 9 VAL N N 10 127.280 127.280 119.355 7.925 18234 16 1 1 . 1 1 9 9 VAL H H 10 8.983 8.983 8.676 0.307 18234 17 1 1 . 1 1 10 10 VAL N N 11 127.250 127.250 118.435 8.815 18234 18 1 1 . 1 1 10 10 VAL H H 11 9.251 9.251 8.416 0.835 18234 19 1 1 . 1 1 11 11 ASP N N 12 123.770 123.770 123.849 -0.079 18234 20 1 1 . 1 1 11 11 ASP H H 12 8.144 8.144 7.674 0.470 18234 21 1 1 . 1 1 12 12 ASP N N 13 124.940 124.940 118.683 6.257 18234 22 1 1 . 1 1 12 12 ASP H H 13 9.709 9.709 8.607 1.102 18234 23 1 1 . 1 1 14 14 SER N N 15 126.800 126.800 115.358 11.442 18234 24 1 1 . 1 1 14 14 SER H H 15 9.493 9.493 8.083 1.410 18234 25 1 1 . 1 1 15 15 THR N N 16 116.700 116.700 114.006 2.694 18234 26 1 1 . 1 1 15 15 THR H H 16 7.372 7.372 8.902 -1.530 18234 27 1 1 . 1 1 16 16 MET N N 17 119.000 119.000 118.166 0.834 18234 28 1 1 . 1 1 16 16 MET H H 17 6.326 6.326 7.919 -1.593 18234 29 1 1 . 1 1 17 17 ARG N N 18 116.670 116.670 119.984 -3.314 18234 30 1 1 . 1 1 17 17 ARG H H 18 7.515 7.515 7.805 -0.290 18234 31 1 1 . 1 1 18 18 ARG N N 19 116.980 116.980 119.470 -2.490 18234 32 1 1 . 1 1 18 18 ARG H H 19 7.638 7.638 8.643 -1.005 18234 33 1 1 . 1 1 19 19 ILE N N 20 120.790 120.790 118.781 2.009 18234 34 1 1 . 1 1 19 19 ILE H H 20 7.789 7.789 8.327 -0.538 18234 35 1 1 . 1 1 20 20 VAL N N 21 119.340 119.340 120.163 -0.823 18234 36 1 1 . 1 1 20 20 VAL H H 21 8.389 8.389 8.106 0.283 18234 37 1 1 . 1 1 21 21 ARG N N 22 119.430 119.430 119.332 0.098 18234 38 1 1 . 1 1 21 21 ARG H H 22 8.622 8.622 8.101 0.521 18234 39 1 1 . 1 1 23 23 LEU N N 24 123.390 123.390 120.562 2.828 18234 40 1 1 . 1 1 23 23 LEU H H 24 8.490 8.490 8.002 0.488 18234 41 1 1 . 1 1 25 25 LYS N N 26 120.620 120.620 120.114 0.506 18234 42 1 1 . 1 1 25 25 LYS H H 26 7.932 7.932 7.965 -0.033 18234 43 1 1 . 1 1 26 26 GLU N N 27 122.290 122.290 118.904 3.386 18234 44 1 1 . 1 1 26 26 GLU H H 27 7.985 7.985 8.471 -0.486 18234 45 1 1 . 1 1 27 27 LEU N N 28 117.210 117.210 117.142 0.068 18234 46 1 1 . 1 1 27 27 LEU H H 28 7.431 7.431 8.162 -0.731 18234 47 1 1 . 1 1 28 28 GLY N N 29 128.170 128.170 104.358 23.812 18234 48 1 1 . 1 1 28 28 GLY H H 29 7.735 7.735 7.649 0.086 18234 49 1 1 . 1 1 29 29 PHE N N 30 121.140 121.140 120.168 0.972 18234 50 1 1 . 1 1 29 29 PHE H H 30 8.188 8.188 7.433 0.755 18234 51 1 1 . 1 1 30 30 ASN N N 31 118.220 118.220 122.962 -4.742 18234 52 1 1 . 1 1 30 30 ASN H H 31 8.305 8.305 8.610 -0.305 18234 53 1 1 . 1 1 32 32 VAL N N 33 122.030 122.030 114.896 7.134 18234 54 1 1 . 1 1 32 32 VAL H H 33 7.522 7.522 8.724 -1.202 18234 55 1 1 . 1 1 33 33 GLU N N 34 126.880 126.880 119.514 7.366 18234 56 1 1 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 57 1 1 . 1 1 35 35 ALA N N 36 120.500 120.500 126.165 -5.665 18234 58 1 1 . 1 1 35 35 ALA H H 36 8.878 8.878 8.081 0.797 18234 59 1 1 . 1 1 36 36 GLU N N 37 117.420 117.420 127.605 -10.185 18234 60 1 1 . 1 1 36 36 GLU H H 37 9.476 9.476 8.920 0.556 18234 61 1 1 . 1 1 37 37 ASP N N 38 131.500 131.500 117.433 14.067 18234 62 1 1 . 1 1 37 37 ASP H H 38 7.450 7.450 8.101 -0.651 18234 63 1 1 . 1 1 38 38 GLY N N 39 124.390 124.390 107.818 16.572 18234 64 1 1 . 1 1 38 38 GLY H H 39 8.148 8.148 7.785 0.363 18234 65 1 1 . 1 1 39 39 VAL N N 40 122.620 122.620 120.077 2.543 18234 66 1 1 . 1 1 39 39 VAL H H 40 7.962 7.962 8.121 -0.159 18234 67 1 1 . 1 1 40 40 ASP N N 41 121.110 121.110 118.852 2.258 18234 68 1 1 . 1 1 40 40 ASP H H 41 8.518 8.518 8.324 0.194 18234 69 1 1 . 1 1 41 41 ALA N N 42 116.970 116.970 123.512 -6.542 18234 70 1 1 . 1 1 41 41 ALA H H 42 8.337 8.337 7.365 0.972 18234 71 1 1 . 1 1 42 42 LEU N N 43 118.280 118.280 120.045 -1.765 18234 72 1 1 . 1 1 42 42 LEU H H 43 8.121 8.121 7.509 0.612 18234 73 1 1 . 1 1 45 45 LEU N N 46 118.530 118.530 120.569 -2.039 18234 74 1 1 . 1 1 45 45 LEU H H 46 8.748 8.748 8.087 0.661 18234 75 1 1 . 1 1 46 46 GLN N N 47 116.820 116.820 118.631 -1.811 18234 76 1 1 . 1 1 46 46 GLN H H 47 7.865 7.865 8.070 -0.205 18234 77 1 1 . 1 1 47 47 ALA N N 48 120.460 120.460 122.714 -2.254 18234 78 1 1 . 1 1 47 47 ALA H H 48 7.611 7.611 8.260 -0.649 18234 79 1 1 . 1 1 48 48 GLY N N 49 126.280 126.280 108.634 17.646 18234 80 1 1 . 1 1 48 48 GLY H H 49 7.574 7.574 8.176 -0.602 18234 81 1 1 . 1 1 49 49 GLY N N 50 125.810 125.810 110.772 15.038 18234 82 1 1 . 1 1 49 49 GLY H H 50 8.367 8.367 8.481 -0.114 18234 83 1 1 . 1 1 50 50 TYR N N 51 118.740 118.740 120.962 -2.222 18234 84 1 1 . 1 1 50 50 TYR H H 51 8.126 8.126 8.251 -0.125 18234 85 1 1 . 1 1 51 51 GLY N N 52 128.900 128.900 105.811 23.089 18234 86 1 1 . 1 1 51 51 GLY H H 52 9.556 9.556 7.826 1.730 18234 87 1 1 . 1 1 52 52 PHE N N 53 121.380 121.380 120.372 1.008 18234 88 1 1 . 1 1 52 52 PHE H H 53 7.527 7.527 7.736 -0.209 18234 89 1 1 . 1 1 53 53 VAL N N 54 127.150 127.150 121.091 6.059 18234 90 1 1 . 1 1 53 53 VAL H H 54 8.246 8.246 7.866 0.380 18234 91 1 1 . 1 1 54 54 ILE N N 55 128.130 128.130 118.599 9.531 18234 92 1 1 . 1 1 54 54 ILE H H 55 9.235 9.235 8.139 1.096 18234 93 1 1 . 1 1 55 55 SER N N 56 118.200 118.200 120.147 -1.947 18234 94 1 1 . 1 1 55 55 SER H H 56 8.678 8.678 7.857 0.821 18234 95 1 1 . 1 1 56 56 ASP N N 57 127.290 127.290 117.201 10.089 18234 96 1 1 . 1 1 56 56 ASP H H 57 8.412 8.412 7.087 1.325 18234 97 1 1 . 1 1 58 58 ASN N N 59 116.980 116.980 120.630 -3.650 18234 98 1 1 . 1 1 58 58 ASN H H 59 8.716 8.716 8.374 0.342 18234 99 1 1 . 1 1 61 61 ASN N N 62 112.140 112.140 118.859 -6.719 18234 100 1 1 . 1 1 61 61 ASN H H 62 8.598 8.598 7.772 0.826 18234 101 1 1 . 1 1 62 62 MET N N 63 122.950 122.950 119.589 3.361 18234 102 1 1 . 1 1 62 62 MET H H 63 9.192 9.192 8.590 0.602 18234 103 1 1 . 1 1 63 63 ASP N N 64 126.540 126.540 119.189 7.351 18234 104 1 1 . 1 1 63 63 ASP H H 64 8.518 8.518 8.357 0.161 18234 105 1 1 . 1 1 65 65 LEU N N 66 121.870 121.870 122.249 -0.379 18234 106 1 1 . 1 1 65 65 LEU H H 66 7.733 7.733 8.518 -0.785 18234 107 1 1 . 1 1 66 66 GLU N N 67 119.470 119.470 124.447 -4.977 18234 108 1 1 . 1 1 66 66 GLU H H 67 8.085 8.085 8.200 -0.115 18234 109 1 1 . 1 1 67 67 LEU N N 68 123.910 123.910 118.695 5.215 18234 110 1 1 . 1 1 67 67 LEU H H 68 8.299 8.299 8.020 0.279 18234 111 1 1 . 1 1 68 68 LEU N N 69 120.640 120.640 121.047 -0.407 18234 112 1 1 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 113 1 1 . 1 1 69 69 LYS N N 70 116.080 116.080 120.240 -4.160 18234 114 1 1 . 1 1 69 69 LYS H H 70 8.400 8.400 8.535 -0.135 18234 115 1 1 . 1 1 70 70 THR N N 71 117.490 117.490 114.108 3.382 18234 116 1 1 . 1 1 70 70 THR H H 71 8.028 8.028 7.757 0.271 18234 117 1 1 . 1 1 71 71 ILE N N 72 123.640 123.640 120.626 3.014 18234 118 1 1 . 1 1 71 71 ILE H H 72 8.459 8.459 7.501 0.958 18234 119 1 1 . 1 1 72 72 ARG N N 73 113.350 113.350 118.800 -5.450 18234 120 1 1 . 1 1 72 72 ARG H H 73 8.112 8.112 8.356 -0.244 18234 121 1 1 . 1 1 73 73 ALA N N 74 118.900 118.900 122.503 -3.603 18234 122 1 1 . 1 1 73 73 ALA H H 74 7.286 7.286 8.236 -0.950 18234 123 1 1 . 1 1 74 74 ASP N N 75 121.870 121.870 120.595 1.275 18234 124 1 1 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 125 1 1 . 1 1 75 75 GLY N N 76 112.230 112.230 106.746 5.484 18234 126 1 1 . 1 1 75 75 GLY H H 76 8.728 8.728 8.214 0.514 18234 127 1 1 . 1 1 76 76 ALA N N 77 121.970 121.970 119.495 2.475 18234 128 1 1 . 1 1 76 76 ALA H H 77 8.558 8.558 7.805 0.753 18234 129 1 1 . 1 1 77 77 MET N N 78 116.180 116.180 117.340 -1.160 18234 130 1 1 . 1 1 77 77 MET H H 78 8.477 8.477 8.076 0.401 18234 131 1 1 . 1 1 78 78 SER N N 79 112.910 112.910 113.955 -1.045 18234 132 1 1 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 133 1 1 . 1 1 79 79 ALA N N 80 123.080 123.080 121.771 1.309 18234 134 1 1 . 1 1 79 79 ALA H H 80 8.246 8.246 8.044 0.202 18234 135 1 1 . 1 1 80 80 LEU N N 81 124.130 124.130 120.477 3.653 18234 136 1 1 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 137 1 1 . 1 1 82 82 VAL N N 83 118.860 118.860 123.992 -5.132 18234 138 1 1 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 139 1 1 . 1 1 83 83 LEU N N 84 130.450 130.450 115.480 14.970 18234 140 1 1 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 141 1 1 . 1 1 84 84 MET N N 85 124.080 124.080 113.606 10.474 18234 142 1 1 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 143 1 1 . 1 1 85 85 VAL N N 86 124.810 124.810 122.650 2.160 18234 144 1 1 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 145 1 1 . 1 1 86 86 THR N N 87 116.560 116.560 114.520 2.040 18234 146 1 1 . 1 1 86 86 THR H H 87 8.715 8.715 8.637 0.078 18234 147 1 1 . 1 1 87 87 ALA N N 88 125.460 125.460 122.455 3.005 18234 148 1 1 . 1 1 87 87 ALA H H 88 8.807 8.807 7.725 1.082 18234 149 1 1 . 1 1 89 89 ALA N N 90 129.990 129.990 123.949 6.041 18234 150 1 1 . 1 1 89 89 ALA H H 90 9.090 9.090 7.752 1.338 18234 151 1 1 . 1 1 90 90 LYS N N 91 121.030 121.030 118.974 2.056 18234 152 1 1 . 1 1 90 90 LYS H H 91 7.197 7.197 7.981 -0.784 18234 153 1 1 . 1 1 92 92 GLU N N 93 116.280 116.280 119.460 -3.180 18234 154 1 1 . 1 1 92 92 GLU H H 93 9.648 9.648 8.392 1.256 18234 155 1 1 . 1 1 93 93 ASN N N 94 117.030 117.030 120.822 -3.792 18234 156 1 1 . 1 1 93 93 ASN H H 94 7.116 7.116 8.385 -1.269 18234 157 1 1 . 1 1 94 94 ILE N N 95 121.110 121.110 122.405 -1.295 18234 158 1 1 . 1 1 94 94 ILE H H 95 7.546 7.546 8.146 -0.600 18234 159 1 1 . 1 1 95 95 ILE N N 96 117.160 117.160 120.367 -3.207 18234 160 1 1 . 1 1 95 95 ILE H H 96 8.172 8.172 8.126 0.046 18234 161 1 1 . 1 1 96 96 ALA N N 97 120.060 120.060 122.316 -2.256 18234 162 1 1 . 1 1 96 96 ALA H H 97 7.541 7.541 8.014 -0.473 18234 163 1 1 . 1 1 97 97 ALA N N 98 119.150 119.150 122.985 -3.835 18234 164 1 1 . 1 1 97 97 ALA H H 98 8.524 8.524 8.263 0.261 18234 165 1 1 . 1 1 99 99 GLN N N 100 118.210 118.210 119.246 -1.036 18234 166 1 1 . 1 1 99 99 GLN H H 100 8.974 8.974 7.673 1.301 18234 167 1 1 . 1 1 100 100 ALA N N 101 117.990 117.990 122.151 -4.161 18234 168 1 1 . 1 1 100 100 ALA H H 101 7.624 7.624 7.862 -0.238 18234 169 1 1 . 1 1 102 102 ALA N N 103 123.640 123.640 120.639 3.001 18234 170 1 1 . 1 1 102 102 ALA H H 103 8.726 8.726 8.147 0.579 18234 171 1 1 . 1 1 103 103 SER N N 104 115.000 115.000 115.228 -0.228 18234 172 1 1 . 1 1 103 103 SER H H 104 9.114 9.114 7.574 1.540 18234 173 1 1 . 1 1 104 104 GLY N N 105 125.250 125.250 107.281 17.969 18234 174 1 1 . 1 1 104 104 GLY H H 105 7.442 7.442 7.656 -0.214 18234 175 1 1 . 1 1 105 105 TYR N N 106 118.860 118.860 118.329 0.531 18234 176 1 1 . 1 1 105 105 TYR H H 106 8.524 8.524 8.071 0.453 18234 177 1 1 . 1 1 107 107 VAL N N 108 127.360 127.360 116.975 10.385 18234 178 1 1 . 1 1 107 107 VAL H H 108 8.089 8.089 8.023 0.066 18234 179 1 1 . 1 1 108 108 LYS N N 109 123.480 123.480 119.986 3.494 18234 180 1 1 . 1 1 108 108 LYS H H 109 8.376 8.376 7.669 0.707 18234 181 1 1 . 1 1 111 111 THR N N 112 130.470 130.470 113.490 16.980 18234 182 1 1 . 1 1 111 111 THR H H 112 7.916 7.916 8.291 -0.375 18234 183 1 1 . 1 1 112 112 ALA N N 113 122.650 122.650 129.487 -6.837 18234 184 1 1 . 1 1 112 112 ALA H H 113 9.188 9.188 8.758 0.430 18234 185 1 1 . 1 1 113 113 ALA N N 114 118.690 118.690 121.427 -2.737 18234 186 1 1 . 1 1 113 113 ALA H H 114 8.212 8.212 8.225 -0.013 18234 187 1 1 . 1 1 115 115 LEU N N 116 121.770 121.770 125.132 -3.362 18234 188 1 1 . 1 1 115 115 LEU H H 116 8.235 8.235 7.954 0.281 18234 189 1 1 . 1 1 116 116 GLU N N 117 119.060 119.060 118.778 0.282 18234 190 1 1 . 1 1 116 116 GLU H H 117 8.857 8.857 8.172 0.685 18234 191 1 1 . 1 1 117 117 GLU N N 118 117.750 117.750 121.479 -3.729 18234 192 1 1 . 1 1 117 117 GLU H H 118 7.670 7.670 8.403 -0.733 18234 193 1 1 . 1 1 119 119 LEU N N 120 118.400 118.400 120.771 -2.371 18234 194 1 1 . 1 1 119 119 LEU H H 120 8.543 8.543 7.939 0.604 18234 195 1 1 . 1 1 120 120 ASN N N 121 115.130 115.130 118.589 -3.459 18234 196 1 1 . 1 1 120 120 ASN H H 121 8.605 8.605 8.007 0.598 18234 197 1 1 . 1 1 121 121 LYS N N 122 119.730 119.730 120.558 -0.828 18234 198 1 1 . 1 1 121 121 LYS H H 122 7.585 7.585 7.914 -0.329 18234 199 1 1 . 1 1 122 122 ILE N N 123 120.980 120.980 117.712 3.268 18234 200 1 1 . 1 1 122 122 ILE H H 123 7.385 7.385 8.146 -0.761 18234 201 1 1 . 1 1 123 123 PHE N N 124 117.660 117.660 117.046 0.614 18234 202 1 1 . 1 1 123 123 PHE H H 124 9.111 9.111 8.191 0.920 18234 203 1 1 . 1 1 124 124 GLU N N 125 119.190 119.190 120.157 -0.967 18234 204 1 1 . 1 1 124 124 GLU H H 125 8.330 8.330 7.856 0.474 18234 205 1 1 . 1 1 125 125 LYS N N 126 121.310 121.310 121.043 0.267 18234 206 1 1 . 1 1 125 125 LYS H H 126 8.317 8.317 8.088 0.229 18234 207 1 1 . 1 1 127 127 GLY N N 128 110.530 110.530 106.629 3.901 18234 208 1 1 . 1 1 127 127 GLY H H 128 7.966 7.966 7.748 0.218 18234 209 1 1 . 1 1 128 128 MET N N 129 124.430 124.430 118.195 6.235 18234 210 1 1 . 1 1 128 128 MET H H 129 8.432 8.432 8.200 0.232 18234 211 1 2 . 1 1 2 2 ASP N N 3 121.390 121.390 120.882 0.508 18234 212 1 2 . 1 1 2 2 ASP H H 3 8.589 8.589 8.703 -0.114 18234 213 1 2 . 1 1 3 3 LYS N N 4 122.470 122.470 119.254 3.216 18234 214 1 2 . 1 1 3 3 LYS H H 4 8.529 8.529 8.174 0.355 18234 215 1 2 . 1 1 4 4 GLU N N 5 119.020 119.020 118.557 0.463 18234 216 1 2 . 1 1 4 4 GLU H H 5 8.702 8.702 8.026 0.676 18234 217 1 2 . 1 1 5 5 LEU N N 6 124.230 124.230 120.484 3.746 18234 218 1 2 . 1 1 5 5 LEU H H 6 7.530 7.530 6.576 0.954 18234 219 1 2 . 1 1 6 6 LYS N N 7 126.090 126.090 123.984 2.106 18234 220 1 2 . 1 1 6 6 LYS H H 7 8.486 8.486 8.456 0.030 18234 221 1 2 . 1 1 7 7 PHE N N 8 128.540 128.540 112.385 16.155 18234 222 1 2 . 1 1 7 7 PHE H H 8 9.206 9.206 6.706 2.500 18234 223 1 2 . 1 1 8 8 LEU N N 9 121.920 121.920 123.157 -1.237 18234 224 1 2 . 1 1 8 8 LEU H H 9 8.827 8.827 8.719 0.108 18234 225 1 2 . 1 1 9 9 VAL N N 10 127.280 127.280 119.046 8.234 18234 226 1 2 . 1 1 9 9 VAL H H 10 8.983 8.983 8.621 0.362 18234 227 1 2 . 1 1 10 10 VAL N N 11 127.250 127.250 118.948 8.302 18234 228 1 2 . 1 1 10 10 VAL H H 11 9.251 9.251 8.295 0.956 18234 229 1 2 . 1 1 11 11 ASP N N 12 123.770 123.770 123.745 0.025 18234 230 1 2 . 1 1 11 11 ASP H H 12 8.144 8.144 7.661 0.483 18234 231 1 2 . 1 1 12 12 ASP N N 13 124.940 124.940 118.792 6.148 18234 232 1 2 . 1 1 12 12 ASP H H 13 9.709 9.709 8.889 0.820 18234 233 1 2 . 1 1 14 14 SER N N 15 126.800 126.800 115.260 11.540 18234 234 1 2 . 1 1 14 14 SER H H 15 9.493 9.493 7.939 1.554 18234 235 1 2 . 1 1 15 15 THR N N 16 116.700 116.700 113.817 2.883 18234 236 1 2 . 1 1 15 15 THR H H 16 7.372 7.372 8.610 -1.238 18234 237 1 2 . 1 1 16 16 MET N N 17 119.000 119.000 118.071 0.929 18234 238 1 2 . 1 1 16 16 MET H H 17 6.326 6.326 7.833 -1.507 18234 239 1 2 . 1 1 17 17 ARG N N 18 116.670 116.670 119.922 -3.252 18234 240 1 2 . 1 1 17 17 ARG H H 18 7.515 7.515 7.743 -0.228 18234 241 1 2 . 1 1 18 18 ARG N N 19 116.980 116.980 119.419 -2.439 18234 242 1 2 . 1 1 18 18 ARG H H 19 7.638 7.638 8.566 -0.928 18234 243 1 2 . 1 1 19 19 ILE N N 20 120.790 120.790 118.733 2.057 18234 244 1 2 . 1 1 19 19 ILE H H 20 7.789 7.789 8.259 -0.470 18234 245 1 2 . 1 1 20 20 VAL N N 21 119.340 119.340 120.122 -0.782 18234 246 1 2 . 1 1 20 20 VAL H H 21 8.389 8.389 8.066 0.323 18234 247 1 2 . 1 1 21 21 ARG N N 22 119.430 119.430 119.302 0.128 18234 248 1 2 . 1 1 21 21 ARG H H 22 8.622 8.622 8.073 0.549 18234 249 1 2 . 1 1 23 23 LEU N N 24 123.390 123.390 120.556 2.834 18234 250 1 2 . 1 1 23 23 LEU H H 24 8.490 8.490 7.980 0.510 18234 251 1 2 . 1 1 25 25 LYS N N 26 120.620 120.620 120.092 0.528 18234 252 1 2 . 1 1 25 25 LYS H H 26 7.932 7.932 7.951 -0.019 18234 253 1 2 . 1 1 26 26 GLU N N 27 122.290 122.290 118.890 3.400 18234 254 1 2 . 1 1 26 26 GLU H H 27 7.985 7.985 8.461 -0.476 18234 255 1 2 . 1 1 27 27 LEU N N 28 117.210 117.210 117.159 0.051 18234 256 1 2 . 1 1 27 27 LEU H H 28 7.431 7.431 8.152 -0.721 18234 257 1 2 . 1 1 28 28 GLY N N 29 128.170 128.170 104.342 23.828 18234 258 1 2 . 1 1 28 28 GLY H H 29 7.735 7.735 7.642 0.093 18234 259 1 2 . 1 1 29 29 PHE N N 30 121.140 121.140 120.130 1.010 18234 260 1 2 . 1 1 29 29 PHE H H 30 8.188 8.188 7.427 0.761 18234 261 1 2 . 1 1 30 30 ASN N N 31 118.220 118.220 122.944 -4.724 18234 262 1 2 . 1 1 30 30 ASN H H 31 8.305 8.305 8.603 -0.298 18234 263 1 2 . 1 1 32 32 VAL N N 33 122.030 122.030 114.892 7.138 18234 264 1 2 . 1 1 32 32 VAL H H 33 7.522 7.522 8.720 -1.198 18234 265 1 2 . 1 1 33 33 GLU N N 34 126.880 126.880 119.513 7.367 18234 266 1 2 . 1 1 33 33 GLU H H 34 9.124 9.124 7.728 1.396 18234 267 1 2 . 1 1 35 35 ALA N N 36 120.500 120.500 126.088 -5.588 18234 268 1 2 . 1 1 35 35 ALA H H 36 8.878 8.878 8.073 0.805 18234 269 1 2 . 1 1 36 36 GLU N N 37 117.420 117.420 127.602 -10.182 18234 270 1 2 . 1 1 36 36 GLU H H 37 9.476 9.476 8.915 0.561 18234 271 1 2 . 1 1 37 37 ASP N N 38 131.500 131.500 117.617 13.883 18234 272 1 2 . 1 1 37 37 ASP H H 38 7.450 7.450 8.225 -0.775 18234 273 1 2 . 1 1 38 38 GLY N N 39 124.390 124.390 108.204 16.186 18234 274 1 2 . 1 1 38 38 GLY H H 39 8.148 8.148 7.754 0.394 18234 275 1 2 . 1 1 39 39 VAL N N 40 122.620 122.620 119.631 2.989 18234 276 1 2 . 1 1 39 39 VAL H H 40 7.962 7.962 8.022 -0.060 18234 277 1 2 . 1 1 40 40 ASP N N 41 121.110 121.110 118.647 2.463 18234 278 1 2 . 1 1 40 40 ASP H H 41 8.518 8.518 8.331 0.187 18234 279 1 2 . 1 1 41 41 ALA N N 42 116.970 116.970 122.403 -5.433 18234 280 1 2 . 1 1 41 41 ALA H H 42 8.337 8.337 7.341 0.996 18234 281 1 2 . 1 1 42 42 LEU N N 43 118.280 118.280 120.038 -1.758 18234 282 1 2 . 1 1 42 42 LEU H H 43 8.121 8.121 7.497 0.624 18234 283 1 2 . 1 1 45 45 LEU N N 46 118.530 118.530 120.380 -1.850 18234 284 1 2 . 1 1 45 45 LEU H H 46 8.748 8.748 8.098 0.650 18234 285 1 2 . 1 1 46 46 GLN N N 47 116.820 116.820 118.626 -1.806 18234 286 1 2 . 1 1 46 46 GLN H H 47 7.865 7.865 8.057 -0.192 18234 287 1 2 . 1 1 47 47 ALA N N 48 120.460 120.460 122.716 -2.256 18234 288 1 2 . 1 1 47 47 ALA H H 48 7.611 7.611 8.255 -0.644 18234 289 1 2 . 1 1 48 48 GLY N N 49 126.280 126.280 108.629 17.651 18234 290 1 2 . 1 1 48 48 GLY H H 49 7.574 7.574 8.172 -0.598 18234 291 1 2 . 1 1 49 49 GLY N N 50 125.810 125.810 110.782 15.028 18234 292 1 2 . 1 1 49 49 GLY H H 50 8.367 8.367 8.474 -0.107 18234 293 1 2 . 1 1 50 50 TYR N N 51 118.740 118.740 121.027 -2.287 18234 294 1 2 . 1 1 50 50 TYR H H 51 8.126 8.126 8.278 -0.152 18234 295 1 2 . 1 1 51 51 GLY N N 52 128.900 128.900 105.870 23.030 18234 296 1 2 . 1 1 51 51 GLY H H 52 9.556 9.556 7.887 1.669 18234 297 1 2 . 1 1 52 52 PHE N N 53 121.380 121.380 120.577 0.803 18234 298 1 2 . 1 1 52 52 PHE H H 53 7.527 7.527 7.937 -0.410 18234 299 1 2 . 1 1 53 53 VAL N N 54 127.150 127.150 121.343 5.807 18234 300 1 2 . 1 1 53 53 VAL H H 54 8.246 8.246 8.137 0.109 18234 301 1 2 . 1 1 54 54 ILE N N 55 128.130 128.130 118.678 9.452 18234 302 1 2 . 1 1 54 54 ILE H H 55 9.235 9.235 8.187 1.048 18234 303 1 2 . 1 1 55 55 SER N N 56 118.200 118.200 119.403 -1.203 18234 304 1 2 . 1 1 55 55 SER H H 56 8.678 8.678 7.782 0.896 18234 305 1 2 . 1 1 56 56 ASP N N 57 127.290 127.290 116.855 10.435 18234 306 1 2 . 1 1 56 56 ASP H H 57 8.412 8.412 7.037 1.375 18234 307 1 2 . 1 1 58 58 ASN N N 59 116.980 116.980 119.980 -3.000 18234 308 1 2 . 1 1 58 58 ASN H H 59 8.716 8.716 8.195 0.521 18234 309 1 2 . 1 1 61 61 ASN N N 62 112.140 112.140 118.864 -6.724 18234 310 1 2 . 1 1 61 61 ASN H H 62 8.598 8.598 7.757 0.841 18234 311 1 2 . 1 1 62 62 MET N N 63 122.950 122.950 119.866 3.084 18234 312 1 2 . 1 1 62 62 MET H H 63 9.192 9.192 8.568 0.624 18234 313 1 2 . 1 1 63 63 ASP N N 64 126.540 126.540 118.949 7.591 18234 314 1 2 . 1 1 63 63 ASP H H 64 8.518 8.518 8.360 0.158 18234 315 1 2 . 1 1 65 65 LEU N N 66 121.870 121.870 122.630 -0.760 18234 316 1 2 . 1 1 65 65 LEU H H 66 7.733 7.733 8.434 -0.701 18234 317 1 2 . 1 1 66 66 GLU N N 67 119.470 119.470 124.453 -4.983 18234 318 1 2 . 1 1 66 66 GLU H H 67 8.085 8.085 8.201 -0.116 18234 319 1 2 . 1 1 67 67 LEU N N 68 123.910 123.910 118.932 4.978 18234 320 1 2 . 1 1 67 67 LEU H H 68 8.299 8.299 8.026 0.273 18234 321 1 2 . 1 1 68 68 LEU N N 69 120.640 120.640 121.047 -0.407 18234 322 1 2 . 1 1 68 68 LEU H H 69 8.249 8.249 7.670 0.579 18234 323 1 2 . 1 1 69 69 LYS N N 70 116.080 116.080 120.243 -4.163 18234 324 1 2 . 1 1 69 69 LYS H H 70 8.400 8.400 8.527 -0.127 18234 325 1 2 . 1 1 70 70 THR N N 71 117.490 117.490 114.167 3.323 18234 326 1 2 . 1 1 70 70 THR H H 71 8.028 8.028 7.766 0.262 18234 327 1 2 . 1 1 71 71 ILE N N 72 123.640 123.640 120.613 3.027 18234 328 1 2 . 1 1 71 71 ILE H H 72 8.459 8.459 7.473 0.986 18234 329 1 2 . 1 1 72 72 ARG N N 73 113.350 113.350 118.787 -5.437 18234 330 1 2 . 1 1 72 72 ARG H H 73 8.112 8.112 8.351 -0.239 18234 331 1 2 . 1 1 73 73 ALA N N 74 118.900 118.900 122.510 -3.610 18234 332 1 2 . 1 1 73 73 ALA H H 74 7.286 7.286 8.235 -0.949 18234 333 1 2 . 1 1 74 74 ASP N N 75 121.870 121.870 120.588 1.282 18234 334 1 2 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 335 1 2 . 1 1 75 75 GLY N N 76 112.230 112.230 106.745 5.485 18234 336 1 2 . 1 1 75 75 GLY H H 76 8.728 8.728 8.215 0.513 18234 337 1 2 . 1 1 76 76 ALA N N 77 121.970 121.970 119.478 2.492 18234 338 1 2 . 1 1 76 76 ALA H H 77 8.558 8.558 7.804 0.754 18234 339 1 2 . 1 1 77 77 MET N N 78 116.180 116.180 117.355 -1.175 18234 340 1 2 . 1 1 77 77 MET H H 78 8.477 8.477 8.072 0.405 18234 341 1 2 . 1 1 78 78 SER N N 79 112.910 112.910 113.949 -1.039 18234 342 1 2 . 1 1 78 78 SER H H 79 7.436 7.436 7.463 -0.027 18234 343 1 2 . 1 1 79 79 ALA N N 80 123.080 123.080 121.766 1.314 18234 344 1 2 . 1 1 79 79 ALA H H 80 8.246 8.246 8.042 0.204 18234 345 1 2 . 1 1 80 80 LEU N N 81 124.130 124.130 120.486 3.644 18234 346 1 2 . 1 1 80 80 LEU H H 81 7.816 7.816 7.383 0.433 18234 347 1 2 . 1 1 82 82 VAL N N 83 118.860 118.860 123.962 -5.102 18234 348 1 2 . 1 1 82 82 VAL H H 83 7.731 7.731 8.565 -0.834 18234 349 1 2 . 1 1 83 83 LEU N N 84 130.450 130.450 115.463 14.987 18234 350 1 2 . 1 1 83 83 LEU H H 84 9.135 9.135 7.925 1.210 18234 351 1 2 . 1 1 84 84 MET N N 85 124.080 124.080 113.585 10.495 18234 352 1 2 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 353 1 2 . 1 1 85 85 VAL N N 86 124.810 124.810 122.639 2.171 18234 354 1 2 . 1 1 85 85 VAL H H 86 9.198 9.198 7.632 1.566 18234 355 1 2 . 1 1 86 86 THR N N 87 116.560 116.560 114.530 2.030 18234 356 1 2 . 1 1 86 86 THR H H 87 8.715 8.715 8.635 0.080 18234 357 1 2 . 1 1 87 87 ALA N N 88 125.460 125.460 122.459 3.001 18234 358 1 2 . 1 1 87 87 ALA H H 88 8.807 8.807 7.722 1.085 18234 359 1 2 . 1 1 89 89 ALA N N 90 129.990 129.990 123.945 6.045 18234 360 1 2 . 1 1 89 89 ALA H H 90 9.090 9.090 7.748 1.342 18234 361 1 2 . 1 1 90 90 LYS N N 91 121.030 121.030 118.961 2.069 18234 362 1 2 . 1 1 90 90 LYS H H 91 7.197 7.197 7.975 -0.778 18234 363 1 2 . 1 1 92 92 GLU N N 93 116.280 116.280 119.460 -3.180 18234 364 1 2 . 1 1 92 92 GLU H H 93 9.648 9.648 8.383 1.265 18234 365 1 2 . 1 1 93 93 ASN N N 94 117.030 117.030 120.805 -3.775 18234 366 1 2 . 1 1 93 93 ASN H H 94 7.116 7.116 8.376 -1.260 18234 367 1 2 . 1 1 94 94 ILE N N 95 121.110 121.110 122.389 -1.279 18234 368 1 2 . 1 1 94 94 ILE H H 95 7.546 7.546 8.133 -0.587 18234 369 1 2 . 1 1 95 95 ILE N N 96 117.160 117.160 120.351 -3.191 18234 370 1 2 . 1 1 95 95 ILE H H 96 8.172 8.172 8.109 0.063 18234 371 1 2 . 1 1 96 96 ALA N N 97 120.060 120.060 122.304 -2.244 18234 372 1 2 . 1 1 96 96 ALA H H 97 7.541 7.541 8.002 -0.461 18234 373 1 2 . 1 1 97 97 ALA N N 98 119.150 119.150 122.959 -3.809 18234 374 1 2 . 1 1 97 97 ALA H H 98 8.524 8.524 8.242 0.282 18234 375 1 2 . 1 1 99 99 GLN N N 100 118.210 118.210 119.239 -1.029 18234 376 1 2 . 1 1 99 99 GLN H H 100 8.974 8.974 7.654 1.320 18234 377 1 2 . 1 1 100 100 ALA N N 101 117.990 117.990 122.131 -4.141 18234 378 1 2 . 1 1 100 100 ALA H H 101 7.624 7.624 7.830 -0.206 18234 379 1 2 . 1 1 102 102 ALA N N 103 123.640 123.640 120.599 3.041 18234 380 1 2 . 1 1 102 102 ALA H H 103 8.726 8.726 8.112 0.614 18234 381 1 2 . 1 1 103 103 SER N N 104 115.000 115.000 115.223 -0.223 18234 382 1 2 . 1 1 103 103 SER H H 104 9.114 9.114 7.557 1.557 18234 383 1 2 . 1 1 104 104 GLY N N 105 125.250 125.250 107.294 17.956 18234 384 1 2 . 1 1 104 104 GLY H H 105 7.442 7.442 7.631 -0.189 18234 385 1 2 . 1 1 105 105 TYR N N 106 118.860 118.860 118.325 0.535 18234 386 1 2 . 1 1 105 105 TYR H H 106 8.524 8.524 8.041 0.483 18234 387 1 2 . 1 1 107 107 VAL N N 108 127.360 127.360 117.061 10.299 18234 388 1 2 . 1 1 107 107 VAL H H 108 8.089 8.089 8.112 -0.023 18234 389 1 2 . 1 1 108 108 LYS N N 109 123.480 123.480 120.069 3.411 18234 390 1 2 . 1 1 108 108 LYS H H 109 8.376 8.376 7.763 0.613 18234 391 1 2 . 1 1 111 111 THR N N 112 130.470 130.470 113.504 16.966 18234 392 1 2 . 1 1 111 111 THR H H 112 7.916 7.916 8.304 -0.388 18234 393 1 2 . 1 1 112 112 ALA N N 113 122.650 122.650 129.506 -6.856 18234 394 1 2 . 1 1 112 112 ALA H H 113 9.188 9.188 8.773 0.415 18234 395 1 2 . 1 1 113 113 ALA N N 114 118.690 118.690 121.426 -2.736 18234 396 1 2 . 1 1 113 113 ALA H H 114 8.212 8.212 8.232 -0.020 18234 397 1 2 . 1 1 115 115 LEU N N 116 121.770 121.770 124.737 -2.967 18234 398 1 2 . 1 1 115 115 LEU H H 116 8.235 8.235 7.946 0.289 18234 399 1 2 . 1 1 116 116 GLU N N 117 119.060 119.060 118.784 0.276 18234 400 1 2 . 1 1 116 116 GLU H H 117 8.857 8.857 8.175 0.682 18234 401 1 2 . 1 1 117 117 GLU N N 118 117.750 117.750 121.491 -3.741 18234 402 1 2 . 1 1 117 117 GLU H H 118 7.670 7.670 8.403 -0.733 18234 403 1 2 . 1 1 119 119 LEU N N 120 118.400 118.400 120.764 -2.364 18234 404 1 2 . 1 1 119 119 LEU H H 120 8.543 8.543 7.938 0.605 18234 405 1 2 . 1 1 120 120 ASN N N 121 115.130 115.130 118.583 -3.453 18234 406 1 2 . 1 1 120 120 ASN H H 121 8.605 8.605 8.007 0.598 18234 407 1 2 . 1 1 121 121 LYS N N 122 119.730 119.730 120.568 -0.838 18234 408 1 2 . 1 1 121 121 LYS H H 122 7.585 7.585 7.918 -0.333 18234 409 1 2 . 1 1 122 122 ILE N N 123 120.980 120.980 117.712 3.268 18234 410 1 2 . 1 1 122 122 ILE H H 123 7.385 7.385 8.151 -0.766 18234 411 1 2 . 1 1 123 123 PHE N N 124 117.660 117.660 117.046 0.614 18234 412 1 2 . 1 1 123 123 PHE H H 124 9.111 9.111 8.185 0.926 18234 413 1 2 . 1 1 124 124 GLU N N 125 119.190 119.190 120.152 -0.962 18234 414 1 2 . 1 1 124 124 GLU H H 125 8.330 8.330 7.852 0.478 18234 415 1 2 . 1 1 125 125 LYS N N 126 121.310 121.310 121.030 0.280 18234 416 1 2 . 1 1 125 125 LYS H H 126 8.317 8.317 8.084 0.233 18234 417 1 2 . 1 1 127 127 GLY N N 128 110.530 110.530 106.626 3.904 18234 418 1 2 . 1 1 127 127 GLY H H 128 7.966 7.966 7.742 0.224 18234 419 1 2 . 1 1 128 128 MET N N 129 124.430 124.430 118.076 6.354 18234 420 1 2 . 1 1 128 128 MET H H 129 8.432 8.432 8.165 0.267 18234 421 1 3 . 1 1 2 2 ASP N N 3 121.390 121.390 119.194 2.196 18234 422 1 3 . 1 1 2 2 ASP H H 3 8.589 8.589 7.972 0.617 18234 423 1 3 . 1 1 3 3 LYS N N 4 122.470 122.470 122.281 0.189 18234 424 1 3 . 1 1 3 3 LYS H H 4 8.529 8.529 8.133 0.396 18234 425 1 3 . 1 1 4 4 GLU N N 5 119.020 119.020 117.733 1.287 18234 426 1 3 . 1 1 4 4 GLU H H 5 8.702 8.702 7.834 0.868 18234 427 1 3 . 1 1 5 5 LEU N N 6 124.230 124.230 119.013 5.217 18234 428 1 3 . 1 1 5 5 LEU H H 6 7.530 7.530 7.036 0.494 18234 429 1 3 . 1 1 6 6 LYS N N 7 126.090 126.090 124.380 1.710 18234 430 1 3 . 1 1 6 6 LYS H H 7 8.486 8.486 8.485 0.001 18234 431 1 3 . 1 1 7 7 PHE N N 8 128.540 128.540 115.287 13.253 18234 432 1 3 . 1 1 7 7 PHE H H 8 9.206 9.206 7.348 1.858 18234 433 1 3 . 1 1 8 8 LEU N N 9 121.920 121.920 122.541 -0.621 18234 434 1 3 . 1 1 8 8 LEU H H 9 8.827 8.827 8.419 0.408 18234 435 1 3 . 1 1 9 9 VAL N N 10 127.280 127.280 119.294 7.986 18234 436 1 3 . 1 1 9 9 VAL H H 10 8.983 8.983 8.650 0.333 18234 437 1 3 . 1 1 10 10 VAL N N 11 127.250 127.250 118.795 8.455 18234 438 1 3 . 1 1 10 10 VAL H H 11 9.251 9.251 8.423 0.828 18234 439 1 3 . 1 1 11 11 ASP N N 12 123.770 123.770 123.996 -0.226 18234 440 1 3 . 1 1 11 11 ASP H H 12 8.144 8.144 7.665 0.479 18234 441 1 3 . 1 1 12 12 ASP N N 13 124.940 124.940 118.640 6.300 18234 442 1 3 . 1 1 12 12 ASP H H 13 9.709 9.709 8.920 0.789 18234 443 1 3 . 1 1 14 14 SER N N 15 126.800 126.800 115.557 11.243 18234 444 1 3 . 1 1 14 14 SER H H 15 9.493 9.493 8.087 1.406 18234 445 1 3 . 1 1 15 15 THR N N 16 116.700 116.700 114.326 2.374 18234 446 1 3 . 1 1 15 15 THR H H 16 7.372 7.372 8.591 -1.219 18234 447 1 3 . 1 1 16 16 MET N N 17 119.000 119.000 118.109 0.891 18234 448 1 3 . 1 1 16 16 MET H H 17 6.326 6.326 7.870 -1.544 18234 449 1 3 . 1 1 17 17 ARG N N 18 116.670 116.670 119.938 -3.268 18234 450 1 3 . 1 1 17 17 ARG H H 18 7.515 7.515 7.764 -0.249 18234 451 1 3 . 1 1 18 18 ARG N N 19 116.980 116.980 119.444 -2.464 18234 452 1 3 . 1 1 18 18 ARG H H 19 7.638 7.638 8.591 -0.953 18234 453 1 3 . 1 1 19 19 ILE N N 20 120.790 120.790 118.752 2.038 18234 454 1 3 . 1 1 19 19 ILE H H 20 7.789 7.789 8.278 -0.489 18234 455 1 3 . 1 1 20 20 VAL N N 21 119.340 119.340 120.119 -0.779 18234 456 1 3 . 1 1 20 20 VAL H H 21 8.389 8.389 8.079 0.310 18234 457 1 3 . 1 1 21 21 ARG N N 22 119.430 119.430 119.319 0.111 18234 458 1 3 . 1 1 21 21 ARG H H 22 8.622 8.622 8.087 0.535 18234 459 1 3 . 1 1 23 23 LEU N N 24 123.390 123.390 120.559 2.831 18234 460 1 3 . 1 1 23 23 LEU H H 24 8.490 8.490 7.990 0.500 18234 461 1 3 . 1 1 25 25 LYS N N 26 120.620 120.620 120.099 0.521 18234 462 1 3 . 1 1 25 25 LYS H H 26 7.932 7.932 7.959 -0.027 18234 463 1 3 . 1 1 26 26 GLU N N 27 122.290 122.290 119.042 3.248 18234 464 1 3 . 1 1 26 26 GLU H H 27 7.985 7.985 8.449 -0.464 18234 465 1 3 . 1 1 27 27 LEU N N 28 117.210 117.210 117.131 0.079 18234 466 1 3 . 1 1 27 27 LEU H H 28 7.431 7.431 8.156 -0.725 18234 467 1 3 . 1 1 28 28 GLY N N 29 128.170 128.170 104.351 23.819 18234 468 1 3 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 469 1 3 . 1 1 29 29 PHE N N 30 121.140 121.140 119.919 1.221 18234 470 1 3 . 1 1 29 29 PHE H H 30 8.188 8.188 7.404 0.784 18234 471 1 3 . 1 1 30 30 ASN N N 31 118.220 118.220 122.956 -4.736 18234 472 1 3 . 1 1 30 30 ASN H H 31 8.305 8.305 8.605 -0.300 18234 473 1 3 . 1 1 32 32 VAL N N 33 122.030 122.030 114.872 7.158 18234 474 1 3 . 1 1 32 32 VAL H H 33 7.522 7.522 8.721 -1.199 18234 475 1 3 . 1 1 33 33 GLU N N 34 126.880 126.880 119.524 7.356 18234 476 1 3 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 477 1 3 . 1 1 35 35 ALA N N 36 120.500 120.500 126.490 -5.990 18234 478 1 3 . 1 1 35 35 ALA H H 36 8.878 8.878 8.087 0.791 18234 479 1 3 . 1 1 36 36 GLU N N 37 117.420 117.420 127.601 -10.181 18234 480 1 3 . 1 1 36 36 GLU H H 37 9.476 9.476 8.920 0.556 18234 481 1 3 . 1 1 37 37 ASP N N 38 131.500 131.500 117.613 13.887 18234 482 1 3 . 1 1 37 37 ASP H H 38 7.450 7.450 8.207 -0.757 18234 483 1 3 . 1 1 38 38 GLY N N 39 124.390 124.390 108.101 16.289 18234 484 1 3 . 1 1 38 38 GLY H H 39 8.148 8.148 7.759 0.389 18234 485 1 3 . 1 1 39 39 VAL N N 40 122.620 122.620 119.709 2.911 18234 486 1 3 . 1 1 39 39 VAL H H 40 7.962 7.962 8.043 -0.081 18234 487 1 3 . 1 1 40 40 ASP N N 41 121.110 121.110 118.662 2.448 18234 488 1 3 . 1 1 40 40 ASP H H 41 8.518 8.518 8.324 0.194 18234 489 1 3 . 1 1 41 41 ALA N N 42 116.970 116.970 122.395 -5.425 18234 490 1 3 . 1 1 41 41 ALA H H 42 8.337 8.337 7.339 0.998 18234 491 1 3 . 1 1 42 42 LEU N N 43 118.280 118.280 120.046 -1.766 18234 492 1 3 . 1 1 42 42 LEU H H 43 8.121 8.121 7.503 0.618 18234 493 1 3 . 1 1 45 45 LEU N N 46 118.530 118.530 120.298 -1.768 18234 494 1 3 . 1 1 45 45 LEU H H 46 8.748 8.748 8.049 0.699 18234 495 1 3 . 1 1 46 46 GLN N N 47 116.820 116.820 118.636 -1.816 18234 496 1 3 . 1 1 46 46 GLN H H 47 7.865 7.865 8.072 -0.207 18234 497 1 3 . 1 1 47 47 ALA N N 48 120.460 120.460 122.735 -2.275 18234 498 1 3 . 1 1 47 47 ALA H H 48 7.611 7.611 8.268 -0.657 18234 499 1 3 . 1 1 48 48 GLY N N 49 126.280 126.280 108.656 17.624 18234 500 1 3 . 1 1 48 48 GLY H H 49 7.574 7.574 8.193 -0.619 18234 501 1 3 . 1 1 49 49 GLY N N 50 125.810 125.810 110.981 14.829 18234 502 1 3 . 1 1 49 49 GLY H H 50 8.367 8.367 8.503 -0.136 18234 503 1 3 . 1 1 50 50 TYR N N 51 118.740 118.740 121.044 -2.304 18234 504 1 3 . 1 1 50 50 TYR H H 51 8.126 8.126 8.310 -0.184 18234 505 1 3 . 1 1 51 51 GLY N N 52 128.900 128.900 105.873 23.027 18234 506 1 3 . 1 1 51 51 GLY H H 52 9.556 9.556 7.891 1.665 18234 507 1 3 . 1 1 52 52 PHE N N 53 121.380 121.380 120.465 0.915 18234 508 1 3 . 1 1 52 52 PHE H H 53 7.527 7.527 7.907 -0.380 18234 509 1 3 . 1 1 53 53 VAL N N 54 127.150 127.150 121.277 5.873 18234 510 1 3 . 1 1 53 53 VAL H H 54 8.246 8.246 8.122 0.124 18234 511 1 3 . 1 1 54 54 ILE N N 55 128.130 128.130 118.670 9.460 18234 512 1 3 . 1 1 54 54 ILE H H 55 9.235 9.235 8.160 1.075 18234 513 1 3 . 1 1 55 55 SER N N 56 118.200 118.200 119.874 -1.674 18234 514 1 3 . 1 1 55 55 SER H H 56 8.678 8.678 7.797 0.881 18234 515 1 3 . 1 1 56 56 ASP N N 57 127.290 127.290 115.056 12.234 18234 516 1 3 . 1 1 56 56 ASP H H 57 8.412 8.412 6.890 1.522 18234 517 1 3 . 1 1 58 58 ASN N N 59 116.980 116.980 120.114 -3.134 18234 518 1 3 . 1 1 58 58 ASN H H 59 8.716 8.716 8.303 0.413 18234 519 1 3 . 1 1 61 61 ASN N N 62 112.140 112.140 118.807 -6.667 18234 520 1 3 . 1 1 61 61 ASN H H 62 8.598 8.598 7.802 0.796 18234 521 1 3 . 1 1 62 62 MET N N 63 122.950 122.950 119.983 2.967 18234 522 1 3 . 1 1 62 62 MET H H 63 9.192 9.192 8.535 0.657 18234 523 1 3 . 1 1 63 63 ASP N N 64 126.540 126.540 119.455 7.085 18234 524 1 3 . 1 1 63 63 ASP H H 64 8.518 8.518 8.259 0.259 18234 525 1 3 . 1 1 65 65 LEU N N 66 121.870 121.870 122.091 -0.221 18234 526 1 3 . 1 1 65 65 LEU H H 66 7.733 7.733 8.521 -0.788 18234 527 1 3 . 1 1 66 66 GLU N N 67 119.470 119.470 124.457 -4.987 18234 528 1 3 . 1 1 66 66 GLU H H 67 8.085 8.085 8.208 -0.123 18234 529 1 3 . 1 1 67 67 LEU N N 68 123.910 123.910 118.940 4.970 18234 530 1 3 . 1 1 67 67 LEU H H 68 8.299 8.299 8.031 0.268 18234 531 1 3 . 1 1 68 68 LEU N N 69 120.640 120.640 121.054 -0.414 18234 532 1 3 . 1 1 68 68 LEU H H 69 8.249 8.249 7.673 0.576 18234 533 1 3 . 1 1 69 69 LYS N N 70 116.080 116.080 120.336 -4.256 18234 534 1 3 . 1 1 69 69 LYS H H 70 8.400 8.400 8.525 -0.125 18234 535 1 3 . 1 1 70 70 THR N N 71 117.490 117.490 113.874 3.616 18234 536 1 3 . 1 1 70 70 THR H H 71 8.028 8.028 7.731 0.297 18234 537 1 3 . 1 1 71 71 ILE N N 72 123.640 123.640 120.502 3.138 18234 538 1 3 . 1 1 71 71 ILE H H 72 8.459 8.459 7.521 0.938 18234 539 1 3 . 1 1 72 72 ARG N N 73 113.350 113.350 118.799 -5.449 18234 540 1 3 . 1 1 72 72 ARG H H 73 8.112 8.112 8.356 -0.244 18234 541 1 3 . 1 1 73 73 ALA N N 74 118.900 118.900 122.498 -3.598 18234 542 1 3 . 1 1 73 73 ALA H H 74 7.286 7.286 8.240 -0.954 18234 543 1 3 . 1 1 74 74 ASP N N 75 121.870 121.870 120.587 1.283 18234 544 1 3 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 545 1 3 . 1 1 75 75 GLY N N 76 112.230 112.230 106.752 5.478 18234 546 1 3 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 547 1 3 . 1 1 76 76 ALA N N 77 121.970 121.970 119.482 2.488 18234 548 1 3 . 1 1 76 76 ALA H H 77 8.558 8.558 7.805 0.753 18234 549 1 3 . 1 1 77 77 MET N N 78 116.180 116.180 117.349 -1.169 18234 550 1 3 . 1 1 77 77 MET H H 78 8.477 8.477 8.075 0.402 18234 551 1 3 . 1 1 78 78 SER N N 79 112.910 112.910 113.957 -1.047 18234 552 1 3 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 553 1 3 . 1 1 79 79 ALA N N 80 123.080 123.080 121.778 1.302 18234 554 1 3 . 1 1 79 79 ALA H H 80 8.246 8.246 8.044 0.202 18234 555 1 3 . 1 1 80 80 LEU N N 81 124.130 124.130 120.460 3.670 18234 556 1 3 . 1 1 80 80 LEU H H 81 7.816 7.816 7.385 0.431 18234 557 1 3 . 1 1 82 82 VAL N N 83 118.860 118.860 123.999 -5.139 18234 558 1 3 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 559 1 3 . 1 1 83 83 LEU N N 84 130.450 130.450 115.517 14.933 18234 560 1 3 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 561 1 3 . 1 1 84 84 MET N N 85 124.080 124.080 113.615 10.465 18234 562 1 3 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 563 1 3 . 1 1 85 85 VAL N N 86 124.810 124.810 122.645 2.165 18234 564 1 3 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 565 1 3 . 1 1 86 86 THR N N 87 116.560 116.560 114.508 2.052 18234 566 1 3 . 1 1 86 86 THR H H 87 8.715 8.715 8.634 0.081 18234 567 1 3 . 1 1 87 87 ALA N N 88 125.460 125.460 122.464 2.996 18234 568 1 3 . 1 1 87 87 ALA H H 88 8.807 8.807 7.725 1.082 18234 569 1 3 . 1 1 89 89 ALA N N 90 129.990 129.990 123.949 6.041 18234 570 1 3 . 1 1 89 89 ALA H H 90 9.090 9.090 7.751 1.339 18234 571 1 3 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 572 1 3 . 1 1 90 90 LYS H H 91 7.197 7.197 7.974 -0.777 18234 573 1 3 . 1 1 92 92 GLU N N 93 116.280 116.280 119.466 -3.186 18234 574 1 3 . 1 1 92 92 GLU H H 93 9.648 9.648 8.388 1.260 18234 575 1 3 . 1 1 93 93 ASN N N 94 117.030 117.030 120.803 -3.773 18234 576 1 3 . 1 1 93 93 ASN H H 94 7.116 7.116 8.382 -1.266 18234 577 1 3 . 1 1 94 94 ILE N N 95 121.110 121.110 122.379 -1.269 18234 578 1 3 . 1 1 94 94 ILE H H 95 7.546 7.546 8.135 -0.589 18234 579 1 3 . 1 1 95 95 ILE N N 96 117.160 117.160 120.360 -3.200 18234 580 1 3 . 1 1 95 95 ILE H H 96 8.172 8.172 8.115 0.057 18234 581 1 3 . 1 1 96 96 ALA N N 97 120.060 120.060 122.326 -2.266 18234 582 1 3 . 1 1 96 96 ALA H H 97 7.541 7.541 8.005 -0.464 18234 583 1 3 . 1 1 97 97 ALA N N 98 119.150 119.150 122.944 -3.794 18234 584 1 3 . 1 1 97 97 ALA H H 98 8.524 8.524 8.248 0.276 18234 585 1 3 . 1 1 99 99 GLN N N 100 118.210 118.210 119.244 -1.034 18234 586 1 3 . 1 1 99 99 GLN H H 100 8.974 8.974 7.661 1.313 18234 587 1 3 . 1 1 100 100 ALA N N 101 117.990 117.990 122.129 -4.139 18234 588 1 3 . 1 1 100 100 ALA H H 101 7.624 7.624 7.840 -0.216 18234 589 1 3 . 1 1 102 102 ALA N N 103 123.640 123.640 120.648 2.992 18234 590 1 3 . 1 1 102 102 ALA H H 103 8.726 8.726 8.148 0.578 18234 591 1 3 . 1 1 103 103 SER N N 104 115.000 115.000 115.241 -0.241 18234 592 1 3 . 1 1 103 103 SER H H 104 9.114 9.114 7.575 1.539 18234 593 1 3 . 1 1 104 104 GLY N N 105 125.250 125.250 107.277 17.973 18234 594 1 3 . 1 1 104 104 GLY H H 105 7.442 7.442 7.644 -0.202 18234 595 1 3 . 1 1 105 105 TYR N N 106 118.860 118.860 118.377 0.483 18234 596 1 3 . 1 1 105 105 TYR H H 106 8.524 8.524 8.147 0.377 18234 597 1 3 . 1 1 107 107 VAL N N 108 127.360 127.360 116.966 10.394 18234 598 1 3 . 1 1 107 107 VAL H H 108 8.089 8.089 8.008 0.081 18234 599 1 3 . 1 1 108 108 LYS N N 109 123.480 123.480 120.004 3.476 18234 600 1 3 . 1 1 108 108 LYS H H 109 8.376 8.376 7.690 0.686 18234 601 1 3 . 1 1 111 111 THR N N 112 130.470 130.470 113.480 16.990 18234 602 1 3 . 1 1 111 111 THR H H 112 7.916 7.916 8.291 -0.375 18234 603 1 3 . 1 1 112 112 ALA N N 113 122.650 122.650 129.498 -6.848 18234 604 1 3 . 1 1 112 112 ALA H H 113 9.188 9.188 8.763 0.425 18234 605 1 3 . 1 1 113 113 ALA N N 114 118.690 118.690 121.406 -2.716 18234 606 1 3 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 607 1 3 . 1 1 115 115 LEU N N 116 121.770 121.770 125.167 -3.397 18234 608 1 3 . 1 1 115 115 LEU H H 116 8.235 8.235 7.969 0.266 18234 609 1 3 . 1 1 116 116 GLU N N 117 119.060 119.060 118.769 0.291 18234 610 1 3 . 1 1 116 116 GLU H H 117 8.857 8.857 8.171 0.686 18234 611 1 3 . 1 1 117 117 GLU N N 118 117.750 117.750 121.489 -3.739 18234 612 1 3 . 1 1 117 117 GLU H H 118 7.670 7.670 8.403 -0.733 18234 613 1 3 . 1 1 119 119 LEU N N 120 118.400 118.400 120.761 -2.361 18234 614 1 3 . 1 1 119 119 LEU H H 120 8.543 8.543 7.938 0.605 18234 615 1 3 . 1 1 120 120 ASN N N 121 115.130 115.130 118.590 -3.460 18234 616 1 3 . 1 1 120 120 ASN H H 121 8.605 8.605 8.005 0.600 18234 617 1 3 . 1 1 121 121 LYS N N 122 119.730 119.730 120.561 -0.831 18234 618 1 3 . 1 1 121 121 LYS H H 122 7.585 7.585 7.915 -0.330 18234 619 1 3 . 1 1 122 122 ILE N N 123 120.980 120.980 117.709 3.271 18234 620 1 3 . 1 1 122 122 ILE H H 123 7.385 7.385 8.153 -0.768 18234 621 1 3 . 1 1 123 123 PHE N N 124 117.660 117.660 117.043 0.617 18234 622 1 3 . 1 1 123 123 PHE H H 124 9.111 9.111 8.184 0.927 18234 623 1 3 . 1 1 124 124 GLU N N 125 119.190 119.190 120.160 -0.970 18234 624 1 3 . 1 1 124 124 GLU H H 125 8.330 8.330 7.850 0.480 18234 625 1 3 . 1 1 125 125 LYS N N 126 121.310 121.310 121.028 0.282 18234 626 1 3 . 1 1 125 125 LYS H H 126 8.317 8.317 8.084 0.233 18234 627 1 3 . 1 1 127 127 GLY N N 128 110.530 110.530 106.631 3.899 18234 628 1 3 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 629 1 3 . 1 1 128 128 MET N N 129 124.430 124.430 118.173 6.257 18234 630 1 3 . 1 1 128 128 MET H H 129 8.432 8.432 8.191 0.241 18234 631 1 4 . 1 1 2 2 ASP N N 3 121.390 121.390 124.200 -2.810 18234 632 1 4 . 1 1 2 2 ASP H H 3 8.589 8.589 8.760 -0.171 18234 633 1 4 . 1 1 3 3 LYS N N 4 122.470 122.470 123.376 -0.906 18234 634 1 4 . 1 1 3 3 LYS H H 4 8.529 8.529 8.631 -0.102 18234 635 1 4 . 1 1 4 4 GLU N N 5 119.020 119.020 120.448 -1.428 18234 636 1 4 . 1 1 4 4 GLU H H 5 8.702 8.702 8.848 -0.146 18234 637 1 4 . 1 1 5 5 LEU N N 6 124.230 124.230 118.612 5.618 18234 638 1 4 . 1 1 5 5 LEU H H 6 7.530 7.530 7.703 -0.173 18234 639 1 4 . 1 1 6 6 LYS N N 7 126.090 126.090 121.289 4.801 18234 640 1 4 . 1 1 6 6 LYS H H 7 8.486 8.486 7.565 0.921 18234 641 1 4 . 1 1 7 7 PHE N N 8 128.540 128.540 115.046 13.494 18234 642 1 4 . 1 1 7 7 PHE H H 8 9.206 9.206 6.530 2.676 18234 643 1 4 . 1 1 8 8 LEU N N 9 121.920 121.920 121.830 0.090 18234 644 1 4 . 1 1 8 8 LEU H H 9 8.827 8.827 7.157 1.670 18234 645 1 4 . 1 1 9 9 VAL N N 10 127.280 127.280 119.059 8.221 18234 646 1 4 . 1 1 9 9 VAL H H 10 8.983 8.983 8.767 0.216 18234 647 1 4 . 1 1 10 10 VAL N N 11 127.250 127.250 119.449 7.801 18234 648 1 4 . 1 1 10 10 VAL H H 11 9.251 9.251 8.513 0.738 18234 649 1 4 . 1 1 11 11 ASP N N 12 123.770 123.770 125.102 -1.332 18234 650 1 4 . 1 1 11 11 ASP H H 12 8.144 8.144 7.789 0.355 18234 651 1 4 . 1 1 12 12 ASP N N 13 124.940 124.940 118.670 6.270 18234 652 1 4 . 1 1 12 12 ASP H H 13 9.709 9.709 8.962 0.747 18234 653 1 4 . 1 1 14 14 SER N N 15 126.800 126.800 115.944 10.856 18234 654 1 4 . 1 1 14 14 SER H H 15 9.493 9.493 8.036 1.457 18234 655 1 4 . 1 1 15 15 THR N N 16 116.700 116.700 114.377 2.323 18234 656 1 4 . 1 1 15 15 THR H H 16 7.372 7.372 8.526 -1.154 18234 657 1 4 . 1 1 16 16 MET N N 17 119.000 119.000 118.065 0.935 18234 658 1 4 . 1 1 16 16 MET H H 17 6.326 6.326 7.840 -1.514 18234 659 1 4 . 1 1 17 17 ARG N N 18 116.670 116.670 119.925 -3.255 18234 660 1 4 . 1 1 17 17 ARG H H 18 7.515 7.515 7.745 -0.230 18234 661 1 4 . 1 1 18 18 ARG N N 19 116.980 116.980 119.415 -2.435 18234 662 1 4 . 1 1 18 18 ARG H H 19 7.638 7.638 8.569 -0.931 18234 663 1 4 . 1 1 19 19 ILE N N 20 120.790 120.790 118.756 2.034 18234 664 1 4 . 1 1 19 19 ILE H H 20 7.789 7.789 8.266 -0.477 18234 665 1 4 . 1 1 20 20 VAL N N 21 119.340 119.340 120.118 -0.778 18234 666 1 4 . 1 1 20 20 VAL H H 21 8.389 8.389 8.068 0.321 18234 667 1 4 . 1 1 21 21 ARG N N 22 119.430 119.430 119.309 0.121 18234 668 1 4 . 1 1 21 21 ARG H H 22 8.622 8.622 8.077 0.545 18234 669 1 4 . 1 1 23 23 LEU N N 24 123.390 123.390 120.558 2.832 18234 670 1 4 . 1 1 23 23 LEU H H 24 8.490 8.490 7.984 0.506 18234 671 1 4 . 1 1 25 25 LYS N N 26 120.620 120.620 120.098 0.522 18234 672 1 4 . 1 1 25 25 LYS H H 26 7.932 7.932 7.953 -0.021 18234 673 1 4 . 1 1 26 26 GLU N N 27 122.290 122.290 118.896 3.394 18234 674 1 4 . 1 1 26 26 GLU H H 27 7.985 7.985 8.457 -0.472 18234 675 1 4 . 1 1 27 27 LEU N N 28 117.210 117.210 117.138 0.072 18234 676 1 4 . 1 1 27 27 LEU H H 28 7.431 7.431 8.159 -0.728 18234 677 1 4 . 1 1 28 28 GLY N N 29 128.170 128.170 104.355 23.815 18234 678 1 4 . 1 1 28 28 GLY H H 29 7.735 7.735 7.642 0.093 18234 679 1 4 . 1 1 29 29 PHE N N 30 121.140 121.140 120.130 1.010 18234 680 1 4 . 1 1 29 29 PHE H H 30 8.188 8.188 7.429 0.759 18234 681 1 4 . 1 1 30 30 ASN N N 31 118.220 118.220 122.909 -4.689 18234 682 1 4 . 1 1 30 30 ASN H H 31 8.305 8.305 8.605 -0.300 18234 683 1 4 . 1 1 32 32 VAL N N 33 122.030 122.030 114.889 7.141 18234 684 1 4 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 685 1 4 . 1 1 33 33 GLU N N 34 126.880 126.880 119.509 7.371 18234 686 1 4 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 687 1 4 . 1 1 35 35 ALA N N 36 120.500 120.500 126.087 -5.587 18234 688 1 4 . 1 1 35 35 ALA H H 36 8.878 8.878 8.073 0.805 18234 689 1 4 . 1 1 36 36 GLU N N 37 117.420 117.420 127.592 -10.172 18234 690 1 4 . 1 1 36 36 GLU H H 37 9.476 9.476 8.916 0.560 18234 691 1 4 . 1 1 37 37 ASP N N 38 131.500 131.500 117.571 13.929 18234 692 1 4 . 1 1 37 37 ASP H H 38 7.450 7.450 8.236 -0.786 18234 693 1 4 . 1 1 38 38 GLY N N 39 124.390 124.390 108.209 16.181 18234 694 1 4 . 1 1 38 38 GLY H H 39 8.148 8.148 7.753 0.395 18234 695 1 4 . 1 1 39 39 VAL N N 40 122.620 122.620 119.734 2.886 18234 696 1 4 . 1 1 39 39 VAL H H 40 7.962 7.962 8.025 -0.063 18234 697 1 4 . 1 1 40 40 ASP N N 41 121.110 121.110 118.843 2.267 18234 698 1 4 . 1 1 40 40 ASP H H 41 8.518 8.518 8.339 0.179 18234 699 1 4 . 1 1 41 41 ALA N N 42 116.970 116.970 122.912 -5.942 18234 700 1 4 . 1 1 41 41 ALA H H 42 8.337 8.337 7.359 0.978 18234 701 1 4 . 1 1 42 42 LEU N N 43 118.280 118.280 120.018 -1.738 18234 702 1 4 . 1 1 42 42 LEU H H 43 8.121 8.121 7.501 0.620 18234 703 1 4 . 1 1 45 45 LEU N N 46 118.530 118.530 121.250 -2.720 18234 704 1 4 . 1 1 45 45 LEU H H 46 8.748 8.748 8.182 0.566 18234 705 1 4 . 1 1 46 46 GLN N N 47 116.820 116.820 118.630 -1.810 18234 706 1 4 . 1 1 46 46 GLN H H 47 7.865 7.865 8.059 -0.194 18234 707 1 4 . 1 1 47 47 ALA N N 48 120.460 120.460 122.736 -2.276 18234 708 1 4 . 1 1 47 47 ALA H H 48 7.611 7.611 8.263 -0.652 18234 709 1 4 . 1 1 48 48 GLY N N 49 126.280 126.280 108.647 17.633 18234 710 1 4 . 1 1 48 48 GLY H H 49 7.574 7.574 8.189 -0.615 18234 711 1 4 . 1 1 49 49 GLY N N 50 125.810 125.810 111.150 14.660 18234 712 1 4 . 1 1 49 49 GLY H H 50 8.367 8.367 8.503 -0.136 18234 713 1 4 . 1 1 50 50 TYR N N 51 118.740 118.740 121.057 -2.317 18234 714 1 4 . 1 1 50 50 TYR H H 51 8.126 8.126 8.312 -0.186 18234 715 1 4 . 1 1 51 51 GLY N N 52 128.900 128.900 105.915 22.985 18234 716 1 4 . 1 1 51 51 GLY H H 52 9.556 9.556 7.930 1.626 18234 717 1 4 . 1 1 52 52 PHE N N 53 121.380 121.380 120.641 0.739 18234 718 1 4 . 1 1 52 52 PHE H H 53 7.527 7.527 8.021 -0.494 18234 719 1 4 . 1 1 53 53 VAL N N 54 127.150 127.150 121.372 5.778 18234 720 1 4 . 1 1 53 53 VAL H H 54 8.246 8.246 8.175 0.071 18234 721 1 4 . 1 1 54 54 ILE N N 55 128.130 128.130 118.615 9.515 18234 722 1 4 . 1 1 54 54 ILE H H 55 9.235 9.235 8.184 1.051 18234 723 1 4 . 1 1 55 55 SER N N 56 118.200 118.200 119.452 -1.252 18234 724 1 4 . 1 1 55 55 SER H H 56 8.678 8.678 7.884 0.794 18234 725 1 4 . 1 1 56 56 ASP N N 57 127.290 127.290 117.692 9.598 18234 726 1 4 . 1 1 56 56 ASP H H 57 8.412 8.412 7.185 1.227 18234 727 1 4 . 1 1 58 58 ASN N N 59 116.980 116.980 119.609 -2.629 18234 728 1 4 . 1 1 58 58 ASN H H 59 8.716 8.716 8.061 0.655 18234 729 1 4 . 1 1 61 61 ASN N N 62 112.140 112.140 119.024 -6.884 18234 730 1 4 . 1 1 61 61 ASN H H 62 8.598 8.598 7.724 0.874 18234 731 1 4 . 1 1 62 62 MET N N 63 122.950 122.950 119.855 3.095 18234 732 1 4 . 1 1 62 62 MET H H 63 9.192 9.192 8.605 0.587 18234 733 1 4 . 1 1 63 63 ASP N N 64 126.540 126.540 119.474 7.066 18234 734 1 4 . 1 1 63 63 ASP H H 64 8.518 8.518 8.366 0.152 18234 735 1 4 . 1 1 65 65 LEU N N 66 121.870 121.870 123.006 -1.136 18234 736 1 4 . 1 1 65 65 LEU H H 66 7.733 7.733 8.391 -0.658 18234 737 1 4 . 1 1 66 66 GLU N N 67 119.470 119.470 124.460 -4.990 18234 738 1 4 . 1 1 66 66 GLU H H 67 8.085 8.085 8.208 -0.123 18234 739 1 4 . 1 1 67 67 LEU N N 68 123.910 123.910 118.956 4.954 18234 740 1 4 . 1 1 67 67 LEU H H 68 8.299 8.299 8.031 0.268 18234 741 1 4 . 1 1 68 68 LEU N N 69 120.640 120.640 121.044 -0.404 18234 742 1 4 . 1 1 68 68 LEU H H 69 8.249 8.249 7.673 0.576 18234 743 1 4 . 1 1 69 69 LYS N N 70 116.080 116.080 120.218 -4.138 18234 744 1 4 . 1 1 69 69 LYS H H 70 8.400 8.400 8.477 -0.077 18234 745 1 4 . 1 1 70 70 THR N N 71 117.490 117.490 113.957 3.533 18234 746 1 4 . 1 1 70 70 THR H H 71 8.028 8.028 7.703 0.325 18234 747 1 4 . 1 1 71 71 ILE N N 72 123.640 123.640 120.062 3.578 18234 748 1 4 . 1 1 71 71 ILE H H 72 8.459 8.459 7.505 0.954 18234 749 1 4 . 1 1 72 72 ARG N N 73 113.350 113.350 118.792 -5.442 18234 750 1 4 . 1 1 72 72 ARG H H 73 8.112 8.112 8.359 -0.247 18234 751 1 4 . 1 1 73 73 ALA N N 74 118.900 118.900 122.506 -3.606 18234 752 1 4 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 753 1 4 . 1 1 74 74 ASP N N 75 121.870 121.870 120.592 1.278 18234 754 1 4 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 755 1 4 . 1 1 75 75 GLY N N 76 112.230 112.230 106.754 5.476 18234 756 1 4 . 1 1 75 75 GLY H H 76 8.728 8.728 8.216 0.512 18234 757 1 4 . 1 1 76 76 ALA N N 77 121.970 121.970 119.498 2.472 18234 758 1 4 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 759 1 4 . 1 1 77 77 MET N N 78 116.180 116.180 117.343 -1.163 18234 760 1 4 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 761 1 4 . 1 1 78 78 SER N N 79 112.910 112.910 113.951 -1.041 18234 762 1 4 . 1 1 78 78 SER H H 79 7.436 7.436 7.465 -0.029 18234 763 1 4 . 1 1 79 79 ALA N N 80 123.080 123.080 121.781 1.299 18234 764 1 4 . 1 1 79 79 ALA H H 80 8.246 8.246 8.046 0.200 18234 765 1 4 . 1 1 80 80 LEU N N 81 124.130 124.130 120.478 3.652 18234 766 1 4 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 767 1 4 . 1 1 82 82 VAL N N 83 118.860 118.860 123.970 -5.110 18234 768 1 4 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 769 1 4 . 1 1 83 83 LEU N N 84 130.450 130.450 115.501 14.949 18234 770 1 4 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 771 1 4 . 1 1 84 84 MET N N 85 124.080 124.080 113.599 10.481 18234 772 1 4 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 773 1 4 . 1 1 85 85 VAL N N 86 124.810 124.810 122.649 2.161 18234 774 1 4 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 775 1 4 . 1 1 86 86 THR N N 87 116.560 116.560 114.516 2.044 18234 776 1 4 . 1 1 86 86 THR H H 87 8.715 8.715 8.630 0.085 18234 777 1 4 . 1 1 87 87 ALA N N 88 125.460 125.460 122.459 3.001 18234 778 1 4 . 1 1 87 87 ALA H H 88 8.807 8.807 7.717 1.090 18234 779 1 4 . 1 1 89 89 ALA N N 90 129.990 129.990 123.953 6.037 18234 780 1 4 . 1 1 89 89 ALA H H 90 9.090 9.090 7.749 1.341 18234 781 1 4 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 782 1 4 . 1 1 90 90 LYS H H 91 7.197 7.197 7.975 -0.778 18234 783 1 4 . 1 1 92 92 GLU N N 93 116.280 116.280 119.460 -3.180 18234 784 1 4 . 1 1 92 92 GLU H H 93 9.648 9.648 8.386 1.262 18234 785 1 4 . 1 1 93 93 ASN N N 94 117.030 117.030 120.803 -3.773 18234 786 1 4 . 1 1 93 93 ASN H H 94 7.116 7.116 8.376 -1.260 18234 787 1 4 . 1 1 94 94 ILE N N 95 121.110 121.110 122.385 -1.275 18234 788 1 4 . 1 1 94 94 ILE H H 95 7.546 7.546 8.132 -0.586 18234 789 1 4 . 1 1 95 95 ILE N N 96 117.160 117.160 120.353 -3.193 18234 790 1 4 . 1 1 95 95 ILE H H 96 8.172 8.172 8.110 0.062 18234 791 1 4 . 1 1 96 96 ALA N N 97 120.060 120.060 122.295 -2.235 18234 792 1 4 . 1 1 96 96 ALA H H 97 7.541 7.541 8.007 -0.466 18234 793 1 4 . 1 1 97 97 ALA N N 98 119.150 119.150 122.961 -3.811 18234 794 1 4 . 1 1 97 97 ALA H H 98 8.524 8.524 8.247 0.277 18234 795 1 4 . 1 1 99 99 GLN N N 100 118.210 118.210 119.253 -1.043 18234 796 1 4 . 1 1 99 99 GLN H H 100 8.974 8.974 7.661 1.313 18234 797 1 4 . 1 1 100 100 ALA N N 101 117.990 117.990 122.151 -4.161 18234 798 1 4 . 1 1 100 100 ALA H H 101 7.624 7.624 7.850 -0.226 18234 799 1 4 . 1 1 102 102 ALA N N 103 123.640 123.640 120.644 2.996 18234 800 1 4 . 1 1 102 102 ALA H H 103 8.726 8.726 8.147 0.579 18234 801 1 4 . 1 1 103 103 SER N N 104 115.000 115.000 115.262 -0.262 18234 802 1 4 . 1 1 103 103 SER H H 104 9.114 9.114 7.598 1.516 18234 803 1 4 . 1 1 104 104 GLY N N 105 125.250 125.250 107.382 17.868 18234 804 1 4 . 1 1 104 104 GLY H H 105 7.442 7.442 7.730 -0.288 18234 805 1 4 . 1 1 105 105 TYR N N 106 118.860 118.860 118.371 0.489 18234 806 1 4 . 1 1 105 105 TYR H H 106 8.524 8.524 8.119 0.405 18234 807 1 4 . 1 1 107 107 VAL N N 108 127.360 127.360 117.028 10.332 18234 808 1 4 . 1 1 107 107 VAL H H 108 8.089 8.089 8.085 0.004 18234 809 1 4 . 1 1 108 108 LYS N N 109 123.480 123.480 120.063 3.417 18234 810 1 4 . 1 1 108 108 LYS H H 109 8.376 8.376 7.756 0.620 18234 811 1 4 . 1 1 111 111 THR N N 112 130.470 130.470 113.514 16.956 18234 812 1 4 . 1 1 111 111 THR H H 112 7.916 7.916 8.312 -0.396 18234 813 1 4 . 1 1 112 112 ALA N N 113 122.650 122.650 129.504 -6.854 18234 814 1 4 . 1 1 112 112 ALA H H 113 9.188 9.188 8.774 0.414 18234 815 1 4 . 1 1 113 113 ALA N N 114 118.690 118.690 121.425 -2.735 18234 816 1 4 . 1 1 113 113 ALA H H 114 8.212 8.212 8.233 -0.021 18234 817 1 4 . 1 1 115 115 LEU N N 116 121.770 121.770 124.730 -2.960 18234 818 1 4 . 1 1 115 115 LEU H H 116 8.235 8.235 7.950 0.285 18234 819 1 4 . 1 1 116 116 GLU N N 117 119.060 119.060 118.776 0.284 18234 820 1 4 . 1 1 116 116 GLU H H 117 8.857 8.857 8.178 0.679 18234 821 1 4 . 1 1 117 117 GLU N N 118 117.750 117.750 121.484 -3.734 18234 822 1 4 . 1 1 117 117 GLU H H 118 7.670 7.670 8.404 -0.734 18234 823 1 4 . 1 1 119 119 LEU N N 120 118.400 118.400 120.766 -2.366 18234 824 1 4 . 1 1 119 119 LEU H H 120 8.543 8.543 7.938 0.605 18234 825 1 4 . 1 1 120 120 ASN N N 121 115.130 115.130 118.585 -3.455 18234 826 1 4 . 1 1 120 120 ASN H H 121 8.605 8.605 8.005 0.600 18234 827 1 4 . 1 1 121 121 LYS N N 122 119.730 119.730 120.562 -0.832 18234 828 1 4 . 1 1 121 121 LYS H H 122 7.585 7.585 7.915 -0.330 18234 829 1 4 . 1 1 122 122 ILE N N 123 120.980 120.980 117.712 3.268 18234 830 1 4 . 1 1 122 122 ILE H H 123 7.385 7.385 8.150 -0.765 18234 831 1 4 . 1 1 123 123 PHE N N 124 117.660 117.660 117.039 0.621 18234 832 1 4 . 1 1 123 123 PHE H H 124 9.111 9.111 8.186 0.925 18234 833 1 4 . 1 1 124 124 GLU N N 125 119.190 119.190 120.161 -0.971 18234 834 1 4 . 1 1 124 124 GLU H H 125 8.330 8.330 7.852 0.478 18234 835 1 4 . 1 1 125 125 LYS N N 126 121.310 121.310 121.037 0.273 18234 836 1 4 . 1 1 125 125 LYS H H 126 8.317 8.317 8.085 0.232 18234 837 1 4 . 1 1 127 127 GLY N N 128 110.530 110.530 106.626 3.904 18234 838 1 4 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 839 1 4 . 1 1 128 128 MET N N 129 124.430 124.430 117.860 6.570 18234 840 1 4 . 1 1 128 128 MET H H 129 8.432 8.432 8.157 0.275 18234 841 1 5 . 1 1 2 2 ASP N N 3 121.390 121.390 124.906 -3.516 18234 842 1 5 . 1 1 2 2 ASP H H 3 8.589 8.589 8.533 0.056 18234 843 1 5 . 1 1 3 3 LYS N N 4 122.470 122.470 125.593 -3.123 18234 844 1 5 . 1 1 3 3 LYS H H 4 8.529 8.529 8.991 -0.462 18234 845 1 5 . 1 1 4 4 GLU N N 5 119.020 119.020 116.392 2.628 18234 846 1 5 . 1 1 4 4 GLU H H 5 8.702 8.702 8.015 0.687 18234 847 1 5 . 1 1 5 5 LEU N N 6 124.230 124.230 121.002 3.228 18234 848 1 5 . 1 1 5 5 LEU H H 6 7.530 7.530 7.963 -0.433 18234 849 1 5 . 1 1 6 6 LYS N N 7 126.090 126.090 121.229 4.861 18234 850 1 5 . 1 1 6 6 LYS H H 7 8.486 8.486 7.527 0.959 18234 851 1 5 . 1 1 7 7 PHE N N 8 128.540 128.540 119.152 9.388 18234 852 1 5 . 1 1 7 7 PHE H H 8 9.206 9.206 7.606 1.600 18234 853 1 5 . 1 1 8 8 LEU N N 9 121.920 121.920 122.047 -0.127 18234 854 1 5 . 1 1 8 8 LEU H H 9 8.827 8.827 8.067 0.760 18234 855 1 5 . 1 1 9 9 VAL N N 10 127.280 127.280 119.486 7.794 18234 856 1 5 . 1 1 9 9 VAL H H 10 8.983 8.983 8.971 0.012 18234 857 1 5 . 1 1 10 10 VAL N N 11 127.250 127.250 117.206 10.044 18234 858 1 5 . 1 1 10 10 VAL H H 11 9.251 9.251 8.343 0.908 18234 859 1 5 . 1 1 11 11 ASP N N 12 123.770 123.770 124.476 -0.706 18234 860 1 5 . 1 1 11 11 ASP H H 12 8.144 8.144 7.526 0.618 18234 861 1 5 . 1 1 12 12 ASP N N 13 124.940 124.940 118.502 6.438 18234 862 1 5 . 1 1 12 12 ASP H H 13 9.709 9.709 8.730 0.979 18234 863 1 5 . 1 1 14 14 SER N N 15 126.800 126.800 116.033 10.767 18234 864 1 5 . 1 1 14 14 SER H H 15 9.493 9.493 8.011 1.482 18234 865 1 5 . 1 1 15 15 THR N N 16 116.700 116.700 114.195 2.505 18234 866 1 5 . 1 1 15 15 THR H H 16 7.372 7.372 8.551 -1.179 18234 867 1 5 . 1 1 16 16 MET N N 17 119.000 119.000 118.096 0.904 18234 868 1 5 . 1 1 16 16 MET H H 17 6.326 6.326 7.832 -1.506 18234 869 1 5 . 1 1 17 17 ARG N N 18 116.670 116.670 119.934 -3.264 18234 870 1 5 . 1 1 17 17 ARG H H 18 7.515 7.515 7.750 -0.235 18234 871 1 5 . 1 1 18 18 ARG N N 19 116.980 116.980 119.422 -2.442 18234 872 1 5 . 1 1 18 18 ARG H H 19 7.638 7.638 8.583 -0.945 18234 873 1 5 . 1 1 19 19 ILE N N 20 120.790 120.790 118.765 2.025 18234 874 1 5 . 1 1 19 19 ILE H H 20 7.789 7.789 8.285 -0.496 18234 875 1 5 . 1 1 20 20 VAL N N 21 119.340 119.340 120.137 -0.797 18234 876 1 5 . 1 1 20 20 VAL H H 21 8.389 8.389 8.082 0.307 18234 877 1 5 . 1 1 21 21 ARG N N 22 119.430 119.430 119.311 0.119 18234 878 1 5 . 1 1 21 21 ARG H H 22 8.622 8.622 8.079 0.543 18234 879 1 5 . 1 1 23 23 LEU N N 24 123.390 123.390 120.548 2.842 18234 880 1 5 . 1 1 23 23 LEU H H 24 8.490 8.490 7.987 0.503 18234 881 1 5 . 1 1 25 25 LYS N N 26 120.620 120.620 120.101 0.519 18234 882 1 5 . 1 1 25 25 LYS H H 26 7.932 7.932 7.956 -0.024 18234 883 1 5 . 1 1 26 26 GLU N N 27 122.290 122.290 118.894 3.396 18234 884 1 5 . 1 1 26 26 GLU H H 27 7.985 7.985 8.462 -0.477 18234 885 1 5 . 1 1 27 27 LEU N N 28 117.210 117.210 117.139 0.071 18234 886 1 5 . 1 1 27 27 LEU H H 28 7.431 7.431 8.154 -0.723 18234 887 1 5 . 1 1 28 28 GLY N N 29 128.170 128.170 104.352 23.818 18234 888 1 5 . 1 1 28 28 GLY H H 29 7.735 7.735 7.646 0.089 18234 889 1 5 . 1 1 29 29 PHE N N 30 121.140 121.140 120.128 1.012 18234 890 1 5 . 1 1 29 29 PHE H H 30 8.188 8.188 7.431 0.757 18234 891 1 5 . 1 1 30 30 ASN N N 31 118.220 118.220 122.922 -4.702 18234 892 1 5 . 1 1 30 30 ASN H H 31 8.305 8.305 8.606 -0.301 18234 893 1 5 . 1 1 32 32 VAL N N 33 122.030 122.030 114.895 7.135 18234 894 1 5 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 895 1 5 . 1 1 33 33 GLU N N 34 126.880 126.880 119.516 7.364 18234 896 1 5 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 897 1 5 . 1 1 35 35 ALA N N 36 120.500 120.500 126.094 -5.594 18234 898 1 5 . 1 1 35 35 ALA H H 36 8.878 8.878 8.074 0.804 18234 899 1 5 . 1 1 36 36 GLU N N 37 117.420 117.420 127.596 -10.176 18234 900 1 5 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 901 1 5 . 1 1 37 37 ASP N N 38 131.500 131.500 117.621 13.879 18234 902 1 5 . 1 1 37 37 ASP H H 38 7.450 7.450 8.228 -0.778 18234 903 1 5 . 1 1 38 38 GLY N N 39 124.390 124.390 108.205 16.185 18234 904 1 5 . 1 1 38 38 GLY H H 39 8.148 8.148 7.755 0.393 18234 905 1 5 . 1 1 39 39 VAL N N 40 122.620 122.620 119.730 2.890 18234 906 1 5 . 1 1 39 39 VAL H H 40 7.962 7.962 8.027 -0.065 18234 907 1 5 . 1 1 40 40 ASP N N 41 121.110 121.110 118.711 2.399 18234 908 1 5 . 1 1 40 40 ASP H H 41 8.518 8.518 8.321 0.197 18234 909 1 5 . 1 1 41 41 ALA N N 42 116.970 116.970 122.611 -5.641 18234 910 1 5 . 1 1 41 41 ALA H H 42 8.337 8.337 7.349 0.988 18234 911 1 5 . 1 1 42 42 LEU N N 43 118.280 118.280 120.040 -1.760 18234 912 1 5 . 1 1 42 42 LEU H H 43 8.121 8.121 7.503 0.618 18234 913 1 5 . 1 1 45 45 LEU N N 46 118.530 118.530 120.646 -2.116 18234 914 1 5 . 1 1 45 45 LEU H H 46 8.748 8.748 8.081 0.667 18234 915 1 5 . 1 1 46 46 GLN N N 47 116.820 116.820 118.645 -1.825 18234 916 1 5 . 1 1 46 46 GLN H H 47 7.865 7.865 8.067 -0.202 18234 917 1 5 . 1 1 47 47 ALA N N 48 120.460 120.460 122.724 -2.264 18234 918 1 5 . 1 1 47 47 ALA H H 48 7.611 7.611 8.261 -0.650 18234 919 1 5 . 1 1 48 48 GLY N N 49 126.280 126.280 108.554 17.726 18234 920 1 5 . 1 1 48 48 GLY H H 49 7.574 7.574 8.135 -0.561 18234 921 1 5 . 1 1 49 49 GLY N N 50 125.810 125.810 110.842 14.968 18234 922 1 5 . 1 1 49 49 GLY H H 50 8.367 8.367 8.468 -0.101 18234 923 1 5 . 1 1 50 50 TYR N N 51 118.740 118.740 121.010 -2.270 18234 924 1 5 . 1 1 50 50 TYR H H 51 8.126 8.126 8.292 -0.166 18234 925 1 5 . 1 1 51 51 GLY N N 52 128.900 128.900 105.887 23.013 18234 926 1 5 . 1 1 51 51 GLY H H 52 9.556 9.556 7.897 1.659 18234 927 1 5 . 1 1 52 52 PHE N N 53 121.380 121.380 120.602 0.778 18234 928 1 5 . 1 1 52 52 PHE H H 53 7.527 7.527 7.935 -0.408 18234 929 1 5 . 1 1 53 53 VAL N N 54 127.150 127.150 121.252 5.898 18234 930 1 5 . 1 1 53 53 VAL H H 54 8.246 8.246 8.055 0.191 18234 931 1 5 . 1 1 54 54 ILE N N 55 128.130 128.130 118.707 9.423 18234 932 1 5 . 1 1 54 54 ILE H H 55 9.235 9.235 8.199 1.036 18234 933 1 5 . 1 1 55 55 SER N N 56 118.200 118.200 119.895 -1.695 18234 934 1 5 . 1 1 55 55 SER H H 56 8.678 8.678 7.905 0.773 18234 935 1 5 . 1 1 56 56 ASP N N 57 127.290 127.290 116.996 10.294 18234 936 1 5 . 1 1 56 56 ASP H H 57 8.412 8.412 7.201 1.211 18234 937 1 5 . 1 1 58 58 ASN N N 59 116.980 116.980 119.787 -2.807 18234 938 1 5 . 1 1 58 58 ASN H H 59 8.716 8.716 8.393 0.323 18234 939 1 5 . 1 1 61 61 ASN N N 62 112.140 112.140 118.877 -6.737 18234 940 1 5 . 1 1 61 61 ASN H H 62 8.598 8.598 7.842 0.756 18234 941 1 5 . 1 1 62 62 MET N N 63 122.950 122.950 120.353 2.597 18234 942 1 5 . 1 1 62 62 MET H H 63 9.192 9.192 8.674 0.518 18234 943 1 5 . 1 1 63 63 ASP N N 64 126.540 126.540 119.562 6.978 18234 944 1 5 . 1 1 63 63 ASP H H 64 8.518 8.518 8.366 0.152 18234 945 1 5 . 1 1 65 65 LEU N N 66 121.870 121.870 122.361 -0.491 18234 946 1 5 . 1 1 65 65 LEU H H 66 7.733 7.733 8.504 -0.771 18234 947 1 5 . 1 1 66 66 GLU N N 67 119.470 119.470 124.453 -4.983 18234 948 1 5 . 1 1 66 66 GLU H H 67 8.085 8.085 8.205 -0.120 18234 949 1 5 . 1 1 67 67 LEU N N 68 123.910 123.910 118.956 4.954 18234 950 1 5 . 1 1 67 67 LEU H H 68 8.299 8.299 8.033 0.266 18234 951 1 5 . 1 1 68 68 LEU N N 69 120.640 120.640 121.059 -0.419 18234 952 1 5 . 1 1 68 68 LEU H H 69 8.249 8.249 7.677 0.572 18234 953 1 5 . 1 1 69 69 LYS N N 70 116.080 116.080 120.312 -4.232 18234 954 1 5 . 1 1 69 69 LYS H H 70 8.400 8.400 8.503 -0.103 18234 955 1 5 . 1 1 70 70 THR N N 71 117.490 117.490 113.977 3.513 18234 956 1 5 . 1 1 70 70 THR H H 71 8.028 8.028 7.711 0.317 18234 957 1 5 . 1 1 71 71 ILE N N 72 123.640 123.640 120.349 3.291 18234 958 1 5 . 1 1 71 71 ILE H H 72 8.459 8.459 7.518 0.941 18234 959 1 5 . 1 1 72 72 ARG N N 73 113.350 113.350 118.802 -5.452 18234 960 1 5 . 1 1 72 72 ARG H H 73 8.112 8.112 8.359 -0.247 18234 961 1 5 . 1 1 73 73 ALA N N 74 118.900 118.900 122.500 -3.600 18234 962 1 5 . 1 1 73 73 ALA H H 74 7.286 7.286 8.238 -0.952 18234 963 1 5 . 1 1 74 74 ASP N N 75 121.870 121.870 120.589 1.281 18234 964 1 5 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 965 1 5 . 1 1 75 75 GLY N N 76 112.230 112.230 106.735 5.495 18234 966 1 5 . 1 1 75 75 GLY H H 76 8.728 8.728 8.218 0.510 18234 967 1 5 . 1 1 76 76 ALA N N 77 121.970 121.970 119.488 2.482 18234 968 1 5 . 1 1 76 76 ALA H H 77 8.558 8.558 7.804 0.754 18234 969 1 5 . 1 1 77 77 MET N N 78 116.180 116.180 117.347 -1.167 18234 970 1 5 . 1 1 77 77 MET H H 78 8.477 8.477 8.075 0.402 18234 971 1 5 . 1 1 78 78 SER N N 79 112.910 112.910 113.973 -1.063 18234 972 1 5 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 973 1 5 . 1 1 79 79 ALA N N 80 123.080 123.080 121.770 1.310 18234 974 1 5 . 1 1 79 79 ALA H H 80 8.246 8.246 8.050 0.196 18234 975 1 5 . 1 1 80 80 LEU N N 81 124.130 124.130 120.473 3.657 18234 976 1 5 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 977 1 5 . 1 1 82 82 VAL N N 83 118.860 118.860 123.991 -5.131 18234 978 1 5 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 979 1 5 . 1 1 83 83 LEU N N 84 130.450 130.450 115.491 14.959 18234 980 1 5 . 1 1 83 83 LEU H H 84 9.135 9.135 7.928 1.207 18234 981 1 5 . 1 1 84 84 MET N N 85 124.080 124.080 113.598 10.482 18234 982 1 5 . 1 1 84 84 MET H H 85 7.855 7.855 8.546 -0.691 18234 983 1 5 . 1 1 85 85 VAL N N 86 124.810 124.810 122.643 2.167 18234 984 1 5 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 985 1 5 . 1 1 86 86 THR N N 87 116.560 116.560 114.530 2.030 18234 986 1 5 . 1 1 86 86 THR H H 87 8.715 8.715 8.637 0.078 18234 987 1 5 . 1 1 87 87 ALA N N 88 125.460 125.460 122.448 3.012 18234 988 1 5 . 1 1 87 87 ALA H H 88 8.807 8.807 7.724 1.083 18234 989 1 5 . 1 1 89 89 ALA N N 90 129.990 129.990 123.945 6.045 18234 990 1 5 . 1 1 89 89 ALA H H 90 9.090 9.090 7.753 1.337 18234 991 1 5 . 1 1 90 90 LYS N N 91 121.030 121.030 118.981 2.049 18234 992 1 5 . 1 1 90 90 LYS H H 91 7.197 7.197 7.983 -0.786 18234 993 1 5 . 1 1 92 92 GLU N N 93 116.280 116.280 119.470 -3.190 18234 994 1 5 . 1 1 92 92 GLU H H 93 9.648 9.648 8.393 1.255 18234 995 1 5 . 1 1 93 93 ASN N N 94 117.030 117.030 120.808 -3.778 18234 996 1 5 . 1 1 93 93 ASN H H 94 7.116 7.116 8.385 -1.269 18234 997 1 5 . 1 1 94 94 ILE N N 95 121.110 121.110 122.389 -1.279 18234 998 1 5 . 1 1 94 94 ILE H H 95 7.546 7.546 8.142 -0.596 18234 999 1 5 . 1 1 95 95 ILE N N 96 117.160 117.160 120.376 -3.216 18234 1000 1 5 . 1 1 95 95 ILE H H 96 8.172 8.172 8.122 0.050 18234 1001 1 5 . 1 1 96 96 ALA N N 97 120.060 120.060 122.321 -2.261 18234 1002 1 5 . 1 1 96 96 ALA H H 97 7.541 7.541 8.014 -0.473 18234 1003 1 5 . 1 1 97 97 ALA N N 98 119.150 119.150 122.965 -3.815 18234 1004 1 5 . 1 1 97 97 ALA H H 98 8.524 8.524 8.264 0.260 18234 1005 1 5 . 1 1 99 99 GLN N N 100 118.210 118.210 119.260 -1.050 18234 1006 1 5 . 1 1 99 99 GLN H H 100 8.974 8.974 7.681 1.293 18234 1007 1 5 . 1 1 100 100 ALA N N 101 117.990 117.990 122.170 -4.180 18234 1008 1 5 . 1 1 100 100 ALA H H 101 7.624 7.624 7.875 -0.251 18234 1009 1 5 . 1 1 102 102 ALA N N 103 123.640 123.640 120.704 2.936 18234 1010 1 5 . 1 1 102 102 ALA H H 103 8.726 8.726 8.185 0.541 18234 1011 1 5 . 1 1 103 103 SER N N 104 115.000 115.000 115.278 -0.278 18234 1012 1 5 . 1 1 103 103 SER H H 104 9.114 9.114 7.620 1.494 18234 1013 1 5 . 1 1 104 104 GLY N N 105 125.250 125.250 107.361 17.889 18234 1014 1 5 . 1 1 104 104 GLY H H 105 7.442 7.442 7.741 -0.299 18234 1015 1 5 . 1 1 105 105 TYR N N 106 118.860 118.860 118.420 0.440 18234 1016 1 5 . 1 1 105 105 TYR H H 106 8.524 8.524 8.185 0.339 18234 1017 1 5 . 1 1 107 107 VAL N N 108 127.360 127.360 116.990 10.370 18234 1018 1 5 . 1 1 107 107 VAL H H 108 8.089 8.089 8.060 0.029 18234 1019 1 5 . 1 1 108 108 LYS N N 109 123.480 123.480 120.014 3.466 18234 1020 1 5 . 1 1 108 108 LYS H H 109 8.376 8.376 7.705 0.671 18234 1021 1 5 . 1 1 111 111 THR N N 112 130.470 130.470 113.500 16.970 18234 1022 1 5 . 1 1 111 111 THR H H 112 7.916 7.916 8.305 -0.389 18234 1023 1 5 . 1 1 112 112 ALA N N 113 122.650 122.650 129.501 -6.851 18234 1024 1 5 . 1 1 112 112 ALA H H 113 9.188 9.188 8.763 0.425 18234 1025 1 5 . 1 1 113 113 ALA N N 114 118.690 118.690 121.444 -2.754 18234 1026 1 5 . 1 1 113 113 ALA H H 114 8.212 8.212 8.228 -0.016 18234 1027 1 5 . 1 1 115 115 LEU N N 116 121.770 121.770 124.733 -2.963 18234 1028 1 5 . 1 1 115 115 LEU H H 116 8.235 8.235 7.946 0.289 18234 1029 1 5 . 1 1 116 116 GLU N N 117 119.060 119.060 118.781 0.279 18234 1030 1 5 . 1 1 116 116 GLU H H 117 8.857 8.857 8.174 0.683 18234 1031 1 5 . 1 1 117 117 GLU N N 118 117.750 117.750 121.496 -3.746 18234 1032 1 5 . 1 1 117 117 GLU H H 118 7.670 7.670 8.402 -0.732 18234 1033 1 5 . 1 1 119 119 LEU N N 120 118.400 118.400 120.767 -2.367 18234 1034 1 5 . 1 1 119 119 LEU H H 120 8.543 8.543 7.943 0.600 18234 1035 1 5 . 1 1 120 120 ASN N N 121 115.130 115.130 118.589 -3.459 18234 1036 1 5 . 1 1 120 120 ASN H H 121 8.605 8.605 8.008 0.597 18234 1037 1 5 . 1 1 121 121 LYS N N 122 119.730 119.730 120.561 -0.831 18234 1038 1 5 . 1 1 121 121 LYS H H 122 7.585 7.585 7.919 -0.334 18234 1039 1 5 . 1 1 122 122 ILE N N 123 120.980 120.980 117.720 3.260 18234 1040 1 5 . 1 1 122 122 ILE H H 123 7.385 7.385 8.153 -0.768 18234 1041 1 5 . 1 1 123 123 PHE N N 124 117.660 117.660 117.037 0.623 18234 1042 1 5 . 1 1 123 123 PHE H H 124 9.111 9.111 8.190 0.921 18234 1043 1 5 . 1 1 124 124 GLU N N 125 119.190 119.190 120.154 -0.964 18234 1044 1 5 . 1 1 124 124 GLU H H 125 8.330 8.330 7.856 0.474 18234 1045 1 5 . 1 1 125 125 LYS N N 126 121.310 121.310 121.043 0.267 18234 1046 1 5 . 1 1 125 125 LYS H H 126 8.317 8.317 8.087 0.230 18234 1047 1 5 . 1 1 127 127 GLY N N 128 110.530 110.530 106.639 3.891 18234 1048 1 5 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 1049 1 5 . 1 1 128 128 MET N N 129 124.430 124.430 117.794 6.636 18234 1050 1 5 . 1 1 128 128 MET H H 129 8.432 8.432 8.149 0.283 18234 1051 1 6 . 1 1 2 2 ASP N N 3 121.390 121.390 122.773 -1.383 18234 1052 1 6 . 1 1 2 2 ASP H H 3 8.589 8.589 8.630 -0.041 18234 1053 1 6 . 1 1 3 3 LYS N N 4 122.470 122.470 118.287 4.183 18234 1054 1 6 . 1 1 3 3 LYS H H 4 8.529 8.529 8.450 0.079 18234 1055 1 6 . 1 1 4 4 GLU N N 5 119.020 119.020 109.061 9.959 18234 1056 1 6 . 1 1 4 4 GLU H H 5 8.702 8.702 8.483 0.219 18234 1057 1 6 . 1 1 5 5 LEU N N 6 124.230 124.230 123.362 0.868 18234 1058 1 6 . 1 1 5 5 LEU H H 6 7.530 7.530 7.594 -0.064 18234 1059 1 6 . 1 1 6 6 LYS N N 7 126.090 126.090 121.933 4.157 18234 1060 1 6 . 1 1 6 6 LYS H H 7 8.486 8.486 8.347 0.139 18234 1061 1 6 . 1 1 7 7 PHE N N 8 128.540 128.540 114.870 13.670 18234 1062 1 6 . 1 1 7 7 PHE H H 8 9.206 9.206 8.115 1.091 18234 1063 1 6 . 1 1 8 8 LEU N N 9 121.920 121.920 122.632 -0.712 18234 1064 1 6 . 1 1 8 8 LEU H H 9 8.827 8.827 7.588 1.239 18234 1065 1 6 . 1 1 9 9 VAL N N 10 127.280 127.280 118.677 8.603 18234 1066 1 6 . 1 1 9 9 VAL H H 10 8.983 8.983 8.563 0.420 18234 1067 1 6 . 1 1 10 10 VAL N N 11 127.250 127.250 119.026 8.224 18234 1068 1 6 . 1 1 10 10 VAL H H 11 9.251 9.251 8.425 0.826 18234 1069 1 6 . 1 1 11 11 ASP N N 12 123.770 123.770 123.706 0.064 18234 1070 1 6 . 1 1 11 11 ASP H H 12 8.144 8.144 7.684 0.460 18234 1071 1 6 . 1 1 12 12 ASP N N 13 124.940 124.940 118.456 6.484 18234 1072 1 6 . 1 1 12 12 ASP H H 13 9.709 9.709 8.744 0.965 18234 1073 1 6 . 1 1 14 14 SER N N 15 126.800 126.800 115.353 11.447 18234 1074 1 6 . 1 1 14 14 SER H H 15 9.493 9.493 7.999 1.494 18234 1075 1 6 . 1 1 15 15 THR N N 16 116.700 116.700 113.664 3.036 18234 1076 1 6 . 1 1 15 15 THR H H 16 7.372 7.372 8.648 -1.276 18234 1077 1 6 . 1 1 16 16 MET N N 17 119.000 119.000 118.080 0.920 18234 1078 1 6 . 1 1 16 16 MET H H 17 6.326 6.326 7.830 -1.504 18234 1079 1 6 . 1 1 17 17 ARG N N 18 116.670 116.670 119.932 -3.262 18234 1080 1 6 . 1 1 17 17 ARG H H 18 7.515 7.515 7.750 -0.235 18234 1081 1 6 . 1 1 18 18 ARG N N 19 116.980 116.980 119.424 -2.444 18234 1082 1 6 . 1 1 18 18 ARG H H 19 7.638 7.638 8.590 -0.952 18234 1083 1 6 . 1 1 19 19 ILE N N 20 120.790 120.790 118.746 2.044 18234 1084 1 6 . 1 1 19 19 ILE H H 20 7.789 7.789 8.279 -0.490 18234 1085 1 6 . 1 1 20 20 VAL N N 21 119.340 119.340 120.122 -0.782 18234 1086 1 6 . 1 1 20 20 VAL H H 21 8.389 8.389 8.069 0.320 18234 1087 1 6 . 1 1 21 21 ARG N N 22 119.430 119.430 119.313 0.117 18234 1088 1 6 . 1 1 21 21 ARG H H 22 8.622 8.622 8.081 0.541 18234 1089 1 6 . 1 1 23 23 LEU N N 24 123.390 123.390 120.551 2.839 18234 1090 1 6 . 1 1 23 23 LEU H H 24 8.490 8.490 7.986 0.504 18234 1091 1 6 . 1 1 25 25 LYS N N 26 120.620 120.620 120.098 0.522 18234 1092 1 6 . 1 1 25 25 LYS H H 26 7.932 7.932 7.958 -0.026 18234 1093 1 6 . 1 1 26 26 GLU N N 27 122.290 122.290 118.892 3.398 18234 1094 1 6 . 1 1 26 26 GLU H H 27 7.985 7.985 8.463 -0.478 18234 1095 1 6 . 1 1 27 27 LEU N N 28 117.210 117.210 117.135 0.075 18234 1096 1 6 . 1 1 27 27 LEU H H 28 7.431 7.431 8.152 -0.721 18234 1097 1 6 . 1 1 28 28 GLY N N 29 128.170 128.170 104.352 23.818 18234 1098 1 6 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 1099 1 6 . 1 1 29 29 PHE N N 30 121.140 121.140 119.883 1.257 18234 1100 1 6 . 1 1 29 29 PHE H H 30 8.188 8.188 7.429 0.759 18234 1101 1 6 . 1 1 30 30 ASN N N 31 118.220 118.220 122.946 -4.726 18234 1102 1 6 . 1 1 30 30 ASN H H 31 8.305 8.305 8.724 -0.419 18234 1103 1 6 . 1 1 32 32 VAL N N 33 122.030 122.030 114.900 7.130 18234 1104 1 6 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 1105 1 6 . 1 1 33 33 GLU N N 34 126.880 126.880 119.513 7.367 18234 1106 1 6 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 1107 1 6 . 1 1 35 35 ALA N N 36 120.500 120.500 127.570 -7.070 18234 1108 1 6 . 1 1 35 35 ALA H H 36 8.878 8.878 8.238 0.640 18234 1109 1 6 . 1 1 36 36 GLU N N 37 117.420 117.420 127.607 -10.187 18234 1110 1 6 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 1111 1 6 . 1 1 37 37 ASP N N 38 131.500 131.500 117.614 13.886 18234 1112 1 6 . 1 1 37 37 ASP H H 38 7.450 7.450 8.221 -0.771 18234 1113 1 6 . 1 1 38 38 GLY N N 39 124.390 124.390 108.151 16.239 18234 1114 1 6 . 1 1 38 38 GLY H H 39 8.148 8.148 7.758 0.390 18234 1115 1 6 . 1 1 39 39 VAL N N 40 122.620 122.620 119.894 2.726 18234 1116 1 6 . 1 1 39 39 VAL H H 40 7.962 7.962 8.047 -0.085 18234 1117 1 6 . 1 1 40 40 ASP N N 41 121.110 121.110 118.758 2.352 18234 1118 1 6 . 1 1 40 40 ASP H H 41 8.518 8.518 8.317 0.201 18234 1119 1 6 . 1 1 41 41 ALA N N 42 116.970 116.970 122.576 -5.606 18234 1120 1 6 . 1 1 41 41 ALA H H 42 8.337 8.337 7.327 1.010 18234 1121 1 6 . 1 1 42 42 LEU N N 43 118.280 118.280 120.045 -1.765 18234 1122 1 6 . 1 1 42 42 LEU H H 43 8.121 8.121 7.506 0.615 18234 1123 1 6 . 1 1 45 45 LEU N N 46 118.530 118.530 120.640 -2.110 18234 1124 1 6 . 1 1 45 45 LEU H H 46 8.748 8.748 8.089 0.659 18234 1125 1 6 . 1 1 46 46 GLN N N 47 116.820 116.820 118.648 -1.828 18234 1126 1 6 . 1 1 46 46 GLN H H 47 7.865 7.865 8.076 -0.211 18234 1127 1 6 . 1 1 47 47 ALA N N 48 120.460 120.460 122.746 -2.286 18234 1128 1 6 . 1 1 47 47 ALA H H 48 7.611 7.611 8.280 -0.669 18234 1129 1 6 . 1 1 48 48 GLY N N 49 126.280 126.280 108.676 17.604 18234 1130 1 6 . 1 1 48 48 GLY H H 49 7.574 7.574 8.207 -0.633 18234 1131 1 6 . 1 1 49 49 GLY N N 50 125.810 125.810 110.848 14.962 18234 1132 1 6 . 1 1 49 49 GLY H H 50 8.367 8.367 8.517 -0.150 18234 1133 1 6 . 1 1 50 50 TYR N N 51 118.740 118.740 121.075 -2.335 18234 1134 1 6 . 1 1 50 50 TYR H H 51 8.126 8.126 8.337 -0.211 18234 1135 1 6 . 1 1 51 51 GLY N N 52 128.900 128.900 105.945 22.955 18234 1136 1 6 . 1 1 51 51 GLY H H 52 9.556 9.556 7.957 1.599 18234 1137 1 6 . 1 1 52 52 PHE N N 53 121.380 121.380 120.729 0.651 18234 1138 1 6 . 1 1 52 52 PHE H H 53 7.527 7.527 8.046 -0.519 18234 1139 1 6 . 1 1 53 53 VAL N N 54 127.150 127.150 121.487 5.663 18234 1140 1 6 . 1 1 53 53 VAL H H 54 8.246 8.246 8.241 0.005 18234 1141 1 6 . 1 1 54 54 ILE N N 55 128.130 128.130 118.875 9.255 18234 1142 1 6 . 1 1 54 54 ILE H H 55 9.235 9.235 8.337 0.898 18234 1143 1 6 . 1 1 55 55 SER N N 56 118.200 118.200 119.674 -1.474 18234 1144 1 6 . 1 1 55 55 SER H H 56 8.678 8.678 8.050 0.628 18234 1145 1 6 . 1 1 56 56 ASP N N 57 127.290 127.290 119.566 7.724 18234 1146 1 6 . 1 1 56 56 ASP H H 57 8.412 8.412 7.497 0.915 18234 1147 1 6 . 1 1 58 58 ASN N N 59 116.980 116.980 120.135 -3.155 18234 1148 1 6 . 1 1 58 58 ASN H H 59 8.716 8.716 8.359 0.357 18234 1149 1 6 . 1 1 61 61 ASN N N 62 112.140 112.140 119.415 -7.275 18234 1150 1 6 . 1 1 61 61 ASN H H 62 8.598 8.598 7.907 0.691 18234 1151 1 6 . 1 1 62 62 MET N N 63 122.950 122.950 119.704 3.246 18234 1152 1 6 . 1 1 62 62 MET H H 63 9.192 9.192 8.632 0.560 18234 1153 1 6 . 1 1 63 63 ASP N N 64 126.540 126.540 119.324 7.216 18234 1154 1 6 . 1 1 63 63 ASP H H 64 8.518 8.518 8.414 0.104 18234 1155 1 6 . 1 1 65 65 LEU N N 66 121.870 121.870 122.831 -0.961 18234 1156 1 6 . 1 1 65 65 LEU H H 66 7.733 7.733 8.457 -0.724 18234 1157 1 6 . 1 1 66 66 GLU N N 67 119.470 119.470 124.471 -5.001 18234 1158 1 6 . 1 1 66 66 GLU H H 67 8.085 8.085 8.223 -0.138 18234 1159 1 6 . 1 1 67 67 LEU N N 68 123.910 123.910 118.661 5.249 18234 1160 1 6 . 1 1 67 67 LEU H H 68 8.299 8.299 8.015 0.284 18234 1161 1 6 . 1 1 68 68 LEU N N 69 120.640 120.640 121.062 -0.422 18234 1162 1 6 . 1 1 68 68 LEU H H 69 8.249 8.249 7.681 0.568 18234 1163 1 6 . 1 1 69 69 LYS N N 70 116.080 116.080 120.270 -4.190 18234 1164 1 6 . 1 1 69 69 LYS H H 70 8.400 8.400 8.541 -0.141 18234 1165 1 6 . 1 1 70 70 THR N N 71 117.490 117.490 114.086 3.404 18234 1166 1 6 . 1 1 70 70 THR H H 71 8.028 8.028 7.762 0.266 18234 1167 1 6 . 1 1 71 71 ILE N N 72 123.640 123.640 120.600 3.040 18234 1168 1 6 . 1 1 71 71 ILE H H 72 8.459 8.459 7.514 0.945 18234 1169 1 6 . 1 1 72 72 ARG N N 73 113.350 113.350 118.825 -5.475 18234 1170 1 6 . 1 1 72 72 ARG H H 73 8.112 8.112 8.363 -0.251 18234 1171 1 6 . 1 1 73 73 ALA N N 74 118.900 118.900 122.736 -3.836 18234 1172 1 6 . 1 1 73 73 ALA H H 74 7.286 7.286 8.307 -1.021 18234 1173 1 6 . 1 1 74 74 ASP N N 75 121.870 121.870 120.586 1.284 18234 1174 1 6 . 1 1 74 74 ASP H H 75 7.399 7.399 7.813 -0.414 18234 1175 1 6 . 1 1 75 75 GLY N N 76 112.230 112.230 106.765 5.465 18234 1176 1 6 . 1 1 75 75 GLY H H 76 8.728 8.728 8.225 0.503 18234 1177 1 6 . 1 1 76 76 ALA N N 77 121.970 121.970 119.487 2.483 18234 1178 1 6 . 1 1 76 76 ALA H H 77 8.558 8.558 7.811 0.747 18234 1179 1 6 . 1 1 77 77 MET N N 78 116.180 116.180 117.342 -1.162 18234 1180 1 6 . 1 1 77 77 MET H H 78 8.477 8.477 8.082 0.395 18234 1181 1 6 . 1 1 78 78 SER N N 79 112.910 112.910 113.963 -1.053 18234 1182 1 6 . 1 1 78 78 SER H H 79 7.436 7.436 7.469 -0.033 18234 1183 1 6 . 1 1 79 79 ALA N N 80 123.080 123.080 121.781 1.299 18234 1184 1 6 . 1 1 79 79 ALA H H 80 8.246 8.246 8.051 0.195 18234 1185 1 6 . 1 1 80 80 LEU N N 81 124.130 124.130 120.478 3.652 18234 1186 1 6 . 1 1 80 80 LEU H H 81 7.816 7.816 7.389 0.427 18234 1187 1 6 . 1 1 82 82 VAL N N 83 118.860 118.860 123.982 -5.122 18234 1188 1 6 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 1189 1 6 . 1 1 83 83 LEU N N 84 130.450 130.450 115.500 14.950 18234 1190 1 6 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 1191 1 6 . 1 1 84 84 MET N N 85 124.080 124.080 113.600 10.480 18234 1192 1 6 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 1193 1 6 . 1 1 85 85 VAL N N 86 124.810 124.810 122.649 2.161 18234 1194 1 6 . 1 1 85 85 VAL H H 86 9.198 9.198 7.634 1.564 18234 1195 1 6 . 1 1 86 86 THR N N 87 116.560 116.560 114.520 2.040 18234 1196 1 6 . 1 1 86 86 THR H H 87 8.715 8.715 8.631 0.084 18234 1197 1 6 . 1 1 87 87 ALA N N 88 125.460 125.460 122.450 3.010 18234 1198 1 6 . 1 1 87 87 ALA H H 88 8.807 8.807 7.721 1.086 18234 1199 1 6 . 1 1 89 89 ALA N N 90 129.990 129.990 123.949 6.041 18234 1200 1 6 . 1 1 89 89 ALA H H 90 9.090 9.090 7.749 1.341 18234 1201 1 6 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 1202 1 6 . 1 1 90 90 LYS H H 91 7.197 7.197 7.977 -0.780 18234 1203 1 6 . 1 1 92 92 GLU N N 93 116.280 116.280 119.466 -3.186 18234 1204 1 6 . 1 1 92 92 GLU H H 93 9.648 9.648 8.383 1.265 18234 1205 1 6 . 1 1 93 93 ASN N N 94 117.030 117.030 120.807 -3.777 18234 1206 1 6 . 1 1 93 93 ASN H H 94 7.116 7.116 8.375 -1.259 18234 1207 1 6 . 1 1 94 94 ILE N N 95 121.110 121.110 122.385 -1.275 18234 1208 1 6 . 1 1 94 94 ILE H H 95 7.546 7.546 8.132 -0.586 18234 1209 1 6 . 1 1 95 95 ILE N N 96 117.160 117.160 120.345 -3.185 18234 1210 1 6 . 1 1 95 95 ILE H H 96 8.172 8.172 8.103 0.069 18234 1211 1 6 . 1 1 96 96 ALA N N 97 120.060 120.060 122.291 -2.231 18234 1212 1 6 . 1 1 96 96 ALA H H 97 7.541 7.541 7.996 -0.455 18234 1213 1 6 . 1 1 97 97 ALA N N 98 119.150 119.150 122.952 -3.802 18234 1214 1 6 . 1 1 97 97 ALA H H 98 8.524 8.524 8.239 0.285 18234 1215 1 6 . 1 1 99 99 GLN N N 100 118.210 118.210 119.204 -0.994 18234 1216 1 6 . 1 1 99 99 GLN H H 100 8.974 8.974 7.631 1.343 18234 1217 1 6 . 1 1 100 100 ALA N N 101 117.990 117.990 122.081 -4.091 18234 1218 1 6 . 1 1 100 100 ALA H H 101 7.624 7.624 7.802 -0.178 18234 1219 1 6 . 1 1 102 102 ALA N N 103 123.640 123.640 120.501 3.139 18234 1220 1 6 . 1 1 102 102 ALA H H 103 8.726 8.726 8.037 0.689 18234 1221 1 6 . 1 1 103 103 SER N N 104 115.000 115.000 115.129 -0.129 18234 1222 1 6 . 1 1 103 103 SER H H 104 9.114 9.114 7.468 1.646 18234 1223 1 6 . 1 1 104 104 GLY N N 105 125.250 125.250 107.110 18.140 18234 1224 1 6 . 1 1 104 104 GLY H H 105 7.442 7.442 7.449 -0.008 18234 1225 1 6 . 1 1 105 105 TYR N N 106 118.860 118.860 118.137 0.723 18234 1226 1 6 . 1 1 105 105 TYR H H 106 8.524 8.524 7.847 0.677 18234 1227 1 6 . 1 1 107 107 VAL N N 108 127.360 127.360 116.954 10.406 18234 1228 1 6 . 1 1 107 107 VAL H H 108 8.089 8.089 7.977 0.112 18234 1229 1 6 . 1 1 108 108 LYS N N 109 123.480 123.480 119.990 3.490 18234 1230 1 6 . 1 1 108 108 LYS H H 109 8.376 8.376 7.666 0.710 18234 1231 1 6 . 1 1 111 111 THR N N 112 130.470 130.470 113.465 17.005 18234 1232 1 6 . 1 1 111 111 THR H H 112 7.916 7.916 8.271 -0.355 18234 1233 1 6 . 1 1 112 112 ALA N N 113 122.650 122.650 129.492 -6.842 18234 1234 1 6 . 1 1 112 112 ALA H H 113 9.188 9.188 8.757 0.431 18234 1235 1 6 . 1 1 113 113 ALA N N 114 118.690 118.690 121.420 -2.730 18234 1236 1 6 . 1 1 113 113 ALA H H 114 8.212 8.212 8.221 -0.009 18234 1237 1 6 . 1 1 115 115 LEU N N 116 121.770 121.770 125.029 -3.259 18234 1238 1 6 . 1 1 115 115 LEU H H 116 8.235 8.235 7.930 0.305 18234 1239 1 6 . 1 1 116 116 GLU N N 117 119.060 119.060 118.768 0.292 18234 1240 1 6 . 1 1 116 116 GLU H H 117 8.857 8.857 8.171 0.686 18234 1241 1 6 . 1 1 117 117 GLU N N 118 117.750 117.750 121.481 -3.731 18234 1242 1 6 . 1 1 117 117 GLU H H 118 7.670 7.670 8.397 -0.727 18234 1243 1 6 . 1 1 119 119 LEU N N 120 118.400 118.400 120.755 -2.355 18234 1244 1 6 . 1 1 119 119 LEU H H 120 8.543 8.543 7.938 0.605 18234 1245 1 6 . 1 1 120 120 ASN N N 121 115.130 115.130 118.589 -3.459 18234 1246 1 6 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 1247 1 6 . 1 1 121 121 LYS N N 122 119.730 119.730 120.556 -0.826 18234 1248 1 6 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 1249 1 6 . 1 1 122 122 ILE N N 123 120.980 120.980 117.721 3.259 18234 1250 1 6 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.770 18234 1251 1 6 . 1 1 123 123 PHE N N 124 117.660 117.660 117.046 0.614 18234 1252 1 6 . 1 1 123 123 PHE H H 124 9.111 9.111 8.202 0.909 18234 1253 1 6 . 1 1 124 124 GLU N N 125 119.190 119.190 120.162 -0.972 18234 1254 1 6 . 1 1 124 124 GLU H H 125 8.330 8.330 7.855 0.475 18234 1255 1 6 . 1 1 125 125 LYS N N 126 121.310 121.310 121.037 0.273 18234 1256 1 6 . 1 1 125 125 LYS H H 126 8.317 8.317 8.091 0.226 18234 1257 1 6 . 1 1 127 127 GLY N N 128 110.530 110.530 106.622 3.908 18234 1258 1 6 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 1259 1 6 . 1 1 128 128 MET N N 129 124.430 124.430 118.170 6.260 18234 1260 1 6 . 1 1 128 128 MET H H 129 8.432 8.432 8.195 0.237 18234 1261 1 7 . 1 1 2 2 ASP N N 3 121.390 121.390 120.604 0.786 18234 1262 1 7 . 1 1 2 2 ASP H H 3 8.589 8.589 8.119 0.470 18234 1263 1 7 . 1 1 3 3 LYS N N 4 122.470 122.470 128.144 -5.674 18234 1264 1 7 . 1 1 3 3 LYS H H 4 8.529 8.529 8.669 -0.140 18234 1265 1 7 . 1 1 4 4 GLU N N 5 119.020 119.020 118.578 0.442 18234 1266 1 7 . 1 1 4 4 GLU H H 5 8.702 8.702 8.451 0.251 18234 1267 1 7 . 1 1 5 5 LEU N N 6 124.230 124.230 119.849 4.381 18234 1268 1 7 . 1 1 5 5 LEU H H 6 7.530 7.530 7.975 -0.445 18234 1269 1 7 . 1 1 6 6 LYS N N 7 126.090 126.090 120.635 5.455 18234 1270 1 7 . 1 1 6 6 LYS H H 7 8.486 8.486 7.608 0.878 18234 1271 1 7 . 1 1 7 7 PHE N N 8 128.540 128.540 117.796 10.744 18234 1272 1 7 . 1 1 7 7 PHE H H 8 9.206 9.206 6.678 2.528 18234 1273 1 7 . 1 1 8 8 LEU N N 9 121.920 121.920 121.817 0.103 18234 1274 1 7 . 1 1 8 8 LEU H H 9 8.827 8.827 7.026 1.801 18234 1275 1 7 . 1 1 9 9 VAL N N 10 127.280 127.280 119.734 7.546 18234 1276 1 7 . 1 1 9 9 VAL H H 10 8.983 8.983 8.855 0.128 18234 1277 1 7 . 1 1 10 10 VAL N N 11 127.250 127.250 119.628 7.622 18234 1278 1 7 . 1 1 10 10 VAL H H 11 9.251 9.251 8.470 0.781 18234 1279 1 7 . 1 1 11 11 ASP N N 12 123.770 123.770 124.542 -0.772 18234 1280 1 7 . 1 1 11 11 ASP H H 12 8.144 8.144 7.648 0.496 18234 1281 1 7 . 1 1 12 12 ASP N N 13 124.940 124.940 118.801 6.139 18234 1282 1 7 . 1 1 12 12 ASP H H 13 9.709 9.709 9.014 0.695 18234 1283 1 7 . 1 1 14 14 SER N N 15 126.800 126.800 115.485 11.315 18234 1284 1 7 . 1 1 14 14 SER H H 15 9.493 9.493 8.085 1.408 18234 1285 1 7 . 1 1 15 15 THR N N 16 116.700 116.700 114.426 2.274 18234 1286 1 7 . 1 1 15 15 THR H H 16 7.372 7.372 8.528 -1.156 18234 1287 1 7 . 1 1 16 16 MET N N 17 119.000 119.000 118.095 0.905 18234 1288 1 7 . 1 1 16 16 MET H H 17 6.326 6.326 7.863 -1.537 18234 1289 1 7 . 1 1 17 17 ARG N N 18 116.670 116.670 119.932 -3.262 18234 1290 1 7 . 1 1 17 17 ARG H H 18 7.515 7.515 7.752 -0.237 18234 1291 1 7 . 1 1 18 18 ARG N N 19 116.980 116.980 119.424 -2.444 18234 1292 1 7 . 1 1 18 18 ARG H H 19 7.638 7.638 8.567 -0.929 18234 1293 1 7 . 1 1 19 19 ILE N N 20 120.790 120.790 118.729 2.061 18234 1294 1 7 . 1 1 19 19 ILE H H 20 7.789 7.789 8.272 -0.483 18234 1295 1 7 . 1 1 20 20 VAL N N 21 119.340 119.340 120.135 -0.795 18234 1296 1 7 . 1 1 20 20 VAL H H 21 8.389 8.389 8.077 0.312 18234 1297 1 7 . 1 1 21 21 ARG N N 22 119.430 119.430 119.314 0.116 18234 1298 1 7 . 1 1 21 21 ARG H H 22 8.622 8.622 8.078 0.544 18234 1299 1 7 . 1 1 23 23 LEU N N 24 123.390 123.390 120.560 2.830 18234 1300 1 7 . 1 1 23 23 LEU H H 24 8.490 8.490 7.985 0.505 18234 1301 1 7 . 1 1 25 25 LYS N N 26 120.620 120.620 120.359 0.261 18234 1302 1 7 . 1 1 25 25 LYS H H 26 7.932 7.932 7.971 -0.039 18234 1303 1 7 . 1 1 26 26 GLU N N 27 122.290 122.290 118.890 3.400 18234 1304 1 7 . 1 1 26 26 GLU H H 27 7.985 7.985 8.462 -0.477 18234 1305 1 7 . 1 1 27 27 LEU N N 28 117.210 117.210 117.133 0.077 18234 1306 1 7 . 1 1 27 27 LEU H H 28 7.431 7.431 8.151 -0.720 18234 1307 1 7 . 1 1 28 28 GLY N N 29 128.170 128.170 104.347 23.823 18234 1308 1 7 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 1309 1 7 . 1 1 29 29 PHE N N 30 121.140 121.140 120.045 1.095 18234 1310 1 7 . 1 1 29 29 PHE H H 30 8.188 8.188 7.411 0.777 18234 1311 1 7 . 1 1 30 30 ASN N N 31 118.220 118.220 122.937 -4.717 18234 1312 1 7 . 1 1 30 30 ASN H H 31 8.305 8.305 8.605 -0.300 18234 1313 1 7 . 1 1 32 32 VAL N N 33 122.030 122.030 114.898 7.132 18234 1314 1 7 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 1315 1 7 . 1 1 33 33 GLU N N 34 126.880 126.880 119.515 7.365 18234 1316 1 7 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 1317 1 7 . 1 1 35 35 ALA N N 36 120.500 120.500 126.103 -5.603 18234 1318 1 7 . 1 1 35 35 ALA H H 36 8.878 8.878 8.076 0.802 18234 1319 1 7 . 1 1 36 36 GLU N N 37 117.420 117.420 127.596 -10.176 18234 1320 1 7 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 1321 1 7 . 1 1 37 37 ASP N N 38 131.500 131.500 117.608 13.892 18234 1322 1 7 . 1 1 37 37 ASP H H 38 7.450 7.450 8.227 -0.777 18234 1323 1 7 . 1 1 38 38 GLY N N 39 124.390 124.390 108.279 16.111 18234 1324 1 7 . 1 1 38 38 GLY H H 39 8.148 8.148 7.750 0.398 18234 1325 1 7 . 1 1 39 39 VAL N N 40 122.620 122.620 119.744 2.876 18234 1326 1 7 . 1 1 39 39 VAL H H 40 7.962 7.962 8.022 -0.060 18234 1327 1 7 . 1 1 40 40 ASP N N 41 121.110 121.110 118.648 2.462 18234 1328 1 7 . 1 1 40 40 ASP H H 41 8.518 8.518 8.331 0.187 18234 1329 1 7 . 1 1 41 41 ALA N N 42 116.970 116.970 122.597 -5.627 18234 1330 1 7 . 1 1 41 41 ALA H H 42 8.337 8.337 7.340 0.997 18234 1331 1 7 . 1 1 42 42 LEU N N 43 118.280 118.280 120.045 -1.765 18234 1332 1 7 . 1 1 42 42 LEU H H 43 8.121 8.121 7.500 0.621 18234 1333 1 7 . 1 1 45 45 LEU N N 46 118.530 118.530 120.589 -2.059 18234 1334 1 7 . 1 1 45 45 LEU H H 46 8.748 8.748 8.075 0.673 18234 1335 1 7 . 1 1 46 46 GLN N N 47 116.820 116.820 118.627 -1.807 18234 1336 1 7 . 1 1 46 46 GLN H H 47 7.865 7.865 8.063 -0.198 18234 1337 1 7 . 1 1 47 47 ALA N N 48 120.460 120.460 122.731 -2.271 18234 1338 1 7 . 1 1 47 47 ALA H H 48 7.611 7.611 8.266 -0.655 18234 1339 1 7 . 1 1 48 48 GLY N N 49 126.280 126.280 108.649 17.631 18234 1340 1 7 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 1341 1 7 . 1 1 49 49 GLY N N 50 125.810 125.810 110.904 14.906 18234 1342 1 7 . 1 1 49 49 GLY H H 50 8.367 8.367 8.468 -0.101 18234 1343 1 7 . 1 1 50 50 TYR N N 51 118.740 118.740 121.063 -2.323 18234 1344 1 7 . 1 1 50 50 TYR H H 51 8.126 8.126 8.315 -0.188 18234 1345 1 7 . 1 1 51 51 GLY N N 52 128.900 128.900 105.938 22.962 18234 1346 1 7 . 1 1 51 51 GLY H H 52 9.556 9.556 7.944 1.612 18234 1347 1 7 . 1 1 52 52 PHE N N 53 121.380 121.380 120.757 0.623 18234 1348 1 7 . 1 1 52 52 PHE H H 53 7.527 7.527 8.088 -0.561 18234 1349 1 7 . 1 1 53 53 VAL N N 54 127.150 127.150 121.527 5.623 18234 1350 1 7 . 1 1 53 53 VAL H H 54 8.246 8.246 8.317 -0.071 18234 1351 1 7 . 1 1 54 54 ILE N N 55 128.130 128.130 118.605 9.525 18234 1352 1 7 . 1 1 54 54 ILE H H 55 9.235 9.235 8.209 1.026 18234 1353 1 7 . 1 1 55 55 SER N N 56 118.200 118.200 119.729 -1.529 18234 1354 1 7 . 1 1 55 55 SER H H 56 8.678 8.678 7.855 0.823 18234 1355 1 7 . 1 1 56 56 ASP N N 57 127.290 127.290 116.655 10.635 18234 1356 1 7 . 1 1 56 56 ASP H H 57 8.412 8.412 6.935 1.477 18234 1357 1 7 . 1 1 58 58 ASN N N 59 116.980 116.980 119.629 -2.649 18234 1358 1 7 . 1 1 58 58 ASN H H 59 8.716 8.716 7.975 0.741 18234 1359 1 7 . 1 1 61 61 ASN N N 62 112.140 112.140 119.506 -7.366 18234 1360 1 7 . 1 1 61 61 ASN H H 62 8.598 8.598 7.879 0.719 18234 1361 1 7 . 1 1 62 62 MET N N 63 122.950 122.950 119.777 3.173 18234 1362 1 7 . 1 1 62 62 MET H H 63 9.192 9.192 8.532 0.660 18234 1363 1 7 . 1 1 63 63 ASP N N 64 126.540 126.540 119.079 7.461 18234 1364 1 7 . 1 1 63 63 ASP H H 64 8.518 8.518 8.296 0.222 18234 1365 1 7 . 1 1 65 65 LEU N N 66 121.870 121.870 122.475 -0.605 18234 1366 1 7 . 1 1 65 65 LEU H H 66 7.733 7.733 8.485 -0.752 18234 1367 1 7 . 1 1 66 66 GLU N N 67 119.470 119.470 124.458 -4.988 18234 1368 1 7 . 1 1 66 66 GLU H H 67 8.085 8.085 8.211 -0.126 18234 1369 1 7 . 1 1 67 67 LEU N N 68 123.910 123.910 118.795 5.115 18234 1370 1 7 . 1 1 67 67 LEU H H 68 8.299 8.299 8.060 0.239 18234 1371 1 7 . 1 1 68 68 LEU N N 69 120.640 120.640 121.068 -0.428 18234 1372 1 7 . 1 1 68 68 LEU H H 69 8.249 8.249 7.678 0.571 18234 1373 1 7 . 1 1 69 69 LYS N N 70 116.080 116.080 120.251 -4.171 18234 1374 1 7 . 1 1 69 69 LYS H H 70 8.400 8.400 8.559 -0.159 18234 1375 1 7 . 1 1 70 70 THR N N 71 117.490 117.490 113.983 3.507 18234 1376 1 7 . 1 1 70 70 THR H H 71 8.028 8.028 7.787 0.241 18234 1377 1 7 . 1 1 71 71 ILE N N 72 123.640 123.640 120.603 3.037 18234 1378 1 7 . 1 1 71 71 ILE H H 72 8.459 8.459 7.500 0.959 18234 1379 1 7 . 1 1 72 72 ARG N N 73 113.350 113.350 118.806 -5.456 18234 1380 1 7 . 1 1 72 72 ARG H H 73 8.112 8.112 8.358 -0.246 18234 1381 1 7 . 1 1 73 73 ALA N N 74 118.900 118.900 122.509 -3.609 18234 1382 1 7 . 1 1 73 73 ALA H H 74 7.286 7.286 8.240 -0.954 18234 1383 1 7 . 1 1 74 74 ASP N N 75 121.870 121.870 120.586 1.284 18234 1384 1 7 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 1385 1 7 . 1 1 75 75 GLY N N 76 112.230 112.230 106.751 5.479 18234 1386 1 7 . 1 1 75 75 GLY H H 76 8.728 8.728 8.218 0.510 18234 1387 1 7 . 1 1 76 76 ALA N N 77 121.970 121.970 119.503 2.467 18234 1388 1 7 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 1389 1 7 . 1 1 77 77 MET N N 78 116.180 116.180 117.341 -1.161 18234 1390 1 7 . 1 1 77 77 MET H H 78 8.477 8.477 8.076 0.401 18234 1391 1 7 . 1 1 78 78 SER N N 79 112.910 112.910 113.955 -1.045 18234 1392 1 7 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 1393 1 7 . 1 1 79 79 ALA N N 80 123.080 123.080 121.778 1.302 18234 1394 1 7 . 1 1 79 79 ALA H H 80 8.246 8.246 8.045 0.201 18234 1395 1 7 . 1 1 80 80 LEU N N 81 124.130 124.130 120.487 3.643 18234 1396 1 7 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 1397 1 7 . 1 1 82 82 VAL N N 83 118.860 118.860 123.980 -5.120 18234 1398 1 7 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 1399 1 7 . 1 1 83 83 LEU N N 84 130.450 130.450 115.487 14.963 18234 1400 1 7 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 1401 1 7 . 1 1 84 84 MET N N 85 124.080 124.080 113.607 10.473 18234 1402 1 7 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 1403 1 7 . 1 1 85 85 VAL N N 86 124.810 124.810 122.644 2.166 18234 1404 1 7 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 1405 1 7 . 1 1 86 86 THR N N 87 116.560 116.560 114.518 2.042 18234 1406 1 7 . 1 1 86 86 THR H H 87 8.715 8.715 8.636 0.079 18234 1407 1 7 . 1 1 87 87 ALA N N 88 125.460 125.460 122.461 2.999 18234 1408 1 7 . 1 1 87 87 ALA H H 88 8.807 8.807 7.726 1.081 18234 1409 1 7 . 1 1 89 89 ALA N N 90 129.990 129.990 123.950 6.040 18234 1410 1 7 . 1 1 89 89 ALA H H 90 9.090 9.090 7.755 1.335 18234 1411 1 7 . 1 1 90 90 LYS N N 91 121.030 121.030 118.965 2.065 18234 1412 1 7 . 1 1 90 90 LYS H H 91 7.197 7.197 7.979 -0.782 18234 1413 1 7 . 1 1 92 92 GLU N N 93 116.280 116.280 119.452 -3.172 18234 1414 1 7 . 1 1 92 92 GLU H H 93 9.648 9.648 8.390 1.258 18234 1415 1 7 . 1 1 93 93 ASN N N 94 117.030 117.030 120.827 -3.797 18234 1416 1 7 . 1 1 93 93 ASN H H 94 7.116 7.116 8.384 -1.268 18234 1417 1 7 . 1 1 94 94 ILE N N 95 121.110 121.110 122.389 -1.279 18234 1418 1 7 . 1 1 94 94 ILE H H 95 7.546 7.546 8.136 -0.590 18234 1419 1 7 . 1 1 95 95 ILE N N 96 117.160 117.160 120.359 -3.199 18234 1420 1 7 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 1421 1 7 . 1 1 96 96 ALA N N 97 120.060 120.060 122.314 -2.254 18234 1422 1 7 . 1 1 96 96 ALA H H 97 7.541 7.541 8.011 -0.470 18234 1423 1 7 . 1 1 97 97 ALA N N 98 119.150 119.150 122.960 -3.810 18234 1424 1 7 . 1 1 97 97 ALA H H 98 8.524 8.524 8.252 0.272 18234 1425 1 7 . 1 1 99 99 GLN N N 100 118.210 118.210 119.268 -1.058 18234 1426 1 7 . 1 1 99 99 GLN H H 100 8.974 8.974 7.671 1.303 18234 1427 1 7 . 1 1 100 100 ALA N N 101 117.990 117.990 122.144 -4.154 18234 1428 1 7 . 1 1 100 100 ALA H H 101 7.624 7.624 7.857 -0.234 18234 1429 1 7 . 1 1 102 102 ALA N N 103 123.640 123.640 120.660 2.980 18234 1430 1 7 . 1 1 102 102 ALA H H 103 8.726 8.726 8.162 0.564 18234 1431 1 7 . 1 1 103 103 SER N N 104 115.000 115.000 115.247 -0.247 18234 1432 1 7 . 1 1 103 103 SER H H 104 9.114 9.114 7.593 1.521 18234 1433 1 7 . 1 1 104 104 GLY N N 105 125.250 125.250 107.329 17.921 18234 1434 1 7 . 1 1 104 104 GLY H H 105 7.442 7.442 7.698 -0.256 18234 1435 1 7 . 1 1 105 105 TYR N N 106 118.860 118.860 118.335 0.525 18234 1436 1 7 . 1 1 105 105 TYR H H 106 8.524 8.524 8.106 0.418 18234 1437 1 7 . 1 1 107 107 VAL N N 108 127.360 127.360 116.971 10.389 18234 1438 1 7 . 1 1 107 107 VAL H H 108 8.089 8.089 8.007 0.082 18234 1439 1 7 . 1 1 108 108 LYS N N 109 123.480 123.480 120.012 3.468 18234 1440 1 7 . 1 1 108 108 LYS H H 109 8.376 8.376 7.699 0.677 18234 1441 1 7 . 1 1 111 111 THR N N 112 130.470 130.470 113.513 16.957 18234 1442 1 7 . 1 1 111 111 THR H H 112 7.916 7.916 8.306 -0.390 18234 1443 1 7 . 1 1 112 112 ALA N N 113 122.650 122.650 129.492 -6.842 18234 1444 1 7 . 1 1 112 112 ALA H H 113 9.188 9.188 8.768 0.420 18234 1445 1 7 . 1 1 113 113 ALA N N 114 118.690 118.690 121.431 -2.741 18234 1446 1 7 . 1 1 113 113 ALA H H 114 8.212 8.212 8.230 -0.018 18234 1447 1 7 . 1 1 115 115 LEU N N 116 121.770 121.770 125.023 -3.253 18234 1448 1 7 . 1 1 115 115 LEU H H 116 8.235 8.235 7.935 0.300 18234 1449 1 7 . 1 1 116 116 GLU N N 117 119.060 119.060 118.775 0.285 18234 1450 1 7 . 1 1 116 116 GLU H H 117 8.857 8.857 8.176 0.681 18234 1451 1 7 . 1 1 117 117 GLU N N 118 117.750 117.750 121.488 -3.738 18234 1452 1 7 . 1 1 117 117 GLU H H 118 7.670 7.670 8.405 -0.735 18234 1453 1 7 . 1 1 119 119 LEU N N 120 118.400 118.400 120.764 -2.364 18234 1454 1 7 . 1 1 119 119 LEU H H 120 8.543 8.543 7.937 0.606 18234 1455 1 7 . 1 1 120 120 ASN N N 121 115.130 115.130 118.586 -3.456 18234 1456 1 7 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 1457 1 7 . 1 1 121 121 LYS N N 122 119.730 119.730 120.554 -0.824 18234 1458 1 7 . 1 1 121 121 LYS H H 122 7.585 7.585 7.920 -0.335 18234 1459 1 7 . 1 1 122 122 ILE N N 123 120.980 120.980 117.733 3.247 18234 1460 1 7 . 1 1 122 122 ILE H H 123 7.385 7.385 8.152 -0.767 18234 1461 1 7 . 1 1 123 123 PHE N N 124 117.660 117.660 117.047 0.613 18234 1462 1 7 . 1 1 123 123 PHE H H 124 9.111 9.111 8.199 0.912 18234 1463 1 7 . 1 1 124 124 GLU N N 125 119.190 119.190 120.154 -0.964 18234 1464 1 7 . 1 1 124 124 GLU H H 125 8.330 8.330 7.853 0.477 18234 1465 1 7 . 1 1 125 125 LYS N N 126 121.310 121.310 121.031 0.279 18234 1466 1 7 . 1 1 125 125 LYS H H 126 8.317 8.317 8.087 0.230 18234 1467 1 7 . 1 1 127 127 GLY N N 128 110.530 110.530 106.630 3.900 18234 1468 1 7 . 1 1 127 127 GLY H H 128 7.966 7.966 7.748 0.218 18234 1469 1 7 . 1 1 128 128 MET N N 129 124.430 124.430 118.181 6.249 18234 1470 1 7 . 1 1 128 128 MET H H 129 8.432 8.432 8.189 0.243 18234 1471 1 8 . 1 1 2 2 ASP N N 3 121.390 121.390 120.410 0.980 18234 1472 1 8 . 1 1 2 2 ASP H H 3 8.589 8.589 8.141 0.448 18234 1473 1 8 . 1 1 3 3 LYS N N 4 122.470 122.470 128.195 -5.725 18234 1474 1 8 . 1 1 3 3 LYS H H 4 8.529 8.529 8.781 -0.252 18234 1475 1 8 . 1 1 4 4 GLU N N 5 119.020 119.020 116.220 2.800 18234 1476 1 8 . 1 1 4 4 GLU H H 5 8.702 8.702 8.113 0.589 18234 1477 1 8 . 1 1 5 5 LEU N N 6 124.230 124.230 121.585 2.645 18234 1478 1 8 . 1 1 5 5 LEU H H 6 7.530 7.530 6.692 0.838 18234 1479 1 8 . 1 1 6 6 LYS N N 7 126.090 126.090 122.156 3.934 18234 1480 1 8 . 1 1 6 6 LYS H H 7 8.486 8.486 8.102 0.384 18234 1481 1 8 . 1 1 7 7 PHE N N 8 128.540 128.540 114.397 14.143 18234 1482 1 8 . 1 1 7 7 PHE H H 8 9.206 9.206 7.520 1.686 18234 1483 1 8 . 1 1 8 8 LEU N N 9 121.920 121.920 120.249 1.671 18234 1484 1 8 . 1 1 8 8 LEU H H 9 8.827 8.827 7.460 1.367 18234 1485 1 8 . 1 1 9 9 VAL N N 10 127.280 127.280 118.651 8.629 18234 1486 1 8 . 1 1 9 9 VAL H H 10 8.983 8.983 8.320 0.663 18234 1487 1 8 . 1 1 10 10 VAL N N 11 127.250 127.250 119.917 7.333 18234 1488 1 8 . 1 1 10 10 VAL H H 11 9.251 9.251 7.951 1.300 18234 1489 1 8 . 1 1 11 11 ASP N N 12 123.770 123.770 123.845 -0.075 18234 1490 1 8 . 1 1 11 11 ASP H H 12 8.144 8.144 7.680 0.464 18234 1491 1 8 . 1 1 12 12 ASP N N 13 124.940 124.940 117.942 6.998 18234 1492 1 8 . 1 1 12 12 ASP H H 13 9.709 9.709 8.997 0.712 18234 1493 1 8 . 1 1 14 14 SER N N 15 126.800 126.800 115.595 11.205 18234 1494 1 8 . 1 1 14 14 SER H H 15 9.493 9.493 8.076 1.417 18234 1495 1 8 . 1 1 15 15 THR N N 16 116.700 116.700 114.458 2.242 18234 1496 1 8 . 1 1 15 15 THR H H 16 7.372 7.372 8.565 -1.193 18234 1497 1 8 . 1 1 16 16 MET N N 17 119.000 119.000 118.086 0.914 18234 1498 1 8 . 1 1 16 16 MET H H 17 6.326 6.326 7.850 -1.524 18234 1499 1 8 . 1 1 17 17 ARG N N 18 116.670 116.670 119.928 -3.258 18234 1500 1 8 . 1 1 17 17 ARG H H 18 7.515 7.515 7.749 -0.234 18234 1501 1 8 . 1 1 18 18 ARG N N 19 116.980 116.980 119.428 -2.448 18234 1502 1 8 . 1 1 18 18 ARG H H 19 7.638 7.638 8.574 -0.936 18234 1503 1 8 . 1 1 19 19 ILE N N 20 120.790 120.790 118.725 2.065 18234 1504 1 8 . 1 1 19 19 ILE H H 20 7.789 7.789 8.268 -0.479 18234 1505 1 8 . 1 1 20 20 VAL N N 21 119.340 119.340 120.133 -0.793 18234 1506 1 8 . 1 1 20 20 VAL H H 21 8.389 8.389 8.067 0.322 18234 1507 1 8 . 1 1 21 21 ARG N N 22 119.430 119.430 119.300 0.130 18234 1508 1 8 . 1 1 21 21 ARG H H 22 8.622 8.622 8.075 0.547 18234 1509 1 8 . 1 1 23 23 LEU N N 24 123.390 123.390 120.552 2.838 18234 1510 1 8 . 1 1 23 23 LEU H H 24 8.490 8.490 7.983 0.507 18234 1511 1 8 . 1 1 25 25 LYS N N 26 120.620 120.620 120.095 0.525 18234 1512 1 8 . 1 1 25 25 LYS H H 26 7.932 7.932 7.952 -0.020 18234 1513 1 8 . 1 1 26 26 GLU N N 27 122.290 122.290 118.887 3.403 18234 1514 1 8 . 1 1 26 26 GLU H H 27 7.985 7.985 8.463 -0.478 18234 1515 1 8 . 1 1 27 27 LEU N N 28 117.210 117.210 117.143 0.067 18234 1516 1 8 . 1 1 27 27 LEU H H 28 7.431 7.431 8.158 -0.727 18234 1517 1 8 . 1 1 28 28 GLY N N 29 128.170 128.170 104.347 23.823 18234 1518 1 8 . 1 1 28 28 GLY H H 29 7.735 7.735 7.643 0.092 18234 1519 1 8 . 1 1 29 29 PHE N N 30 121.140 121.140 120.161 0.979 18234 1520 1 8 . 1 1 29 29 PHE H H 30 8.188 8.188 7.428 0.760 18234 1521 1 8 . 1 1 30 30 ASN N N 31 118.220 118.220 122.976 -4.756 18234 1522 1 8 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 1523 1 8 . 1 1 32 32 VAL N N 33 122.030 122.030 114.893 7.137 18234 1524 1 8 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 1525 1 8 . 1 1 33 33 GLU N N 34 126.880 126.880 119.517 7.363 18234 1526 1 8 . 1 1 33 33 GLU H H 34 9.124 9.124 7.728 1.396 18234 1527 1 8 . 1 1 35 35 ALA N N 36 120.500 120.500 126.151 -5.651 18234 1528 1 8 . 1 1 35 35 ALA H H 36 8.878 8.878 8.080 0.798 18234 1529 1 8 . 1 1 36 36 GLU N N 37 117.420 117.420 127.603 -10.183 18234 1530 1 8 . 1 1 36 36 GLU H H 37 9.476 9.476 8.922 0.554 18234 1531 1 8 . 1 1 37 37 ASP N N 38 131.500 131.500 117.518 13.982 18234 1532 1 8 . 1 1 37 37 ASP H H 38 7.450 7.450 8.208 -0.758 18234 1533 1 8 . 1 1 38 38 GLY N N 39 124.390 124.390 108.739 15.651 18234 1534 1 8 . 1 1 38 38 GLY H H 39 8.148 8.148 7.722 0.426 18234 1535 1 8 . 1 1 39 39 VAL N N 40 122.620 122.620 119.548 3.072 18234 1536 1 8 . 1 1 39 39 VAL H H 40 7.962 7.962 8.006 -0.044 18234 1537 1 8 . 1 1 40 40 ASP N N 41 121.110 121.110 118.684 2.426 18234 1538 1 8 . 1 1 40 40 ASP H H 41 8.518 8.518 8.322 0.196 18234 1539 1 8 . 1 1 41 41 ALA N N 42 116.970 116.970 122.604 -5.634 18234 1540 1 8 . 1 1 41 41 ALA H H 42 8.337 8.337 7.352 0.985 18234 1541 1 8 . 1 1 42 42 LEU N N 43 118.280 118.280 120.042 -1.762 18234 1542 1 8 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 1543 1 8 . 1 1 45 45 LEU N N 46 118.530 118.530 120.589 -2.059 18234 1544 1 8 . 1 1 45 45 LEU H H 46 8.748 8.748 8.110 0.638 18234 1545 1 8 . 1 1 46 46 GLN N N 47 116.820 116.820 118.644 -1.824 18234 1546 1 8 . 1 1 46 46 GLN H H 47 7.865 7.865 8.073 -0.208 18234 1547 1 8 . 1 1 47 47 ALA N N 48 120.460 120.460 122.745 -2.285 18234 1548 1 8 . 1 1 47 47 ALA H H 48 7.611 7.611 8.278 -0.667 18234 1549 1 8 . 1 1 48 48 GLY N N 49 126.280 126.280 108.676 17.604 18234 1550 1 8 . 1 1 48 48 GLY H H 49 7.574 7.574 8.210 -0.636 18234 1551 1 8 . 1 1 49 49 GLY N N 50 125.810 125.810 111.167 14.643 18234 1552 1 8 . 1 1 49 49 GLY H H 50 8.367 8.367 8.539 -0.172 18234 1553 1 8 . 1 1 50 50 TYR N N 51 118.740 118.740 121.091 -2.351 18234 1554 1 8 . 1 1 50 50 TYR H H 51 8.126 8.126 8.343 -0.217 18234 1555 1 8 . 1 1 51 51 GLY N N 52 128.900 128.900 105.959 22.941 18234 1556 1 8 . 1 1 51 51 GLY H H 52 9.556 9.556 7.960 1.596 18234 1557 1 8 . 1 1 52 52 PHE N N 53 121.380 121.380 120.659 0.721 18234 1558 1 8 . 1 1 52 52 PHE H H 53 7.527 7.527 8.074 -0.547 18234 1559 1 8 . 1 1 53 53 VAL N N 54 127.150 127.150 121.373 5.777 18234 1560 1 8 . 1 1 53 53 VAL H H 54 8.246 8.246 8.208 0.038 18234 1561 1 8 . 1 1 54 54 ILE N N 55 128.130 128.130 118.648 9.482 18234 1562 1 8 . 1 1 54 54 ILE H H 55 9.235 9.235 8.209 1.026 18234 1563 1 8 . 1 1 55 55 SER N N 56 118.200 118.200 119.723 -1.523 18234 1564 1 8 . 1 1 55 55 SER H H 56 8.678 8.678 7.896 0.782 18234 1565 1 8 . 1 1 56 56 ASP N N 57 127.290 127.290 117.403 9.887 18234 1566 1 8 . 1 1 56 56 ASP H H 57 8.412 8.412 7.229 1.183 18234 1567 1 8 . 1 1 58 58 ASN N N 59 116.980 116.980 120.846 -3.866 18234 1568 1 8 . 1 1 58 58 ASN H H 59 8.716 8.716 8.238 0.478 18234 1569 1 8 . 1 1 61 61 ASN N N 62 112.140 112.140 118.633 -6.493 18234 1570 1 8 . 1 1 61 61 ASN H H 62 8.598 8.598 7.770 0.828 18234 1571 1 8 . 1 1 62 62 MET N N 63 122.950 122.950 119.885 3.065 18234 1572 1 8 . 1 1 62 62 MET H H 63 9.192 9.192 8.632 0.560 18234 1573 1 8 . 1 1 63 63 ASP N N 64 126.540 126.540 119.881 6.659 18234 1574 1 8 . 1 1 63 63 ASP H H 64 8.518 8.518 8.336 0.182 18234 1575 1 8 . 1 1 65 65 LEU N N 66 121.870 121.870 122.038 -0.168 18234 1576 1 8 . 1 1 65 65 LEU H H 66 7.733 7.733 8.535 -0.802 18234 1577 1 8 . 1 1 66 66 GLU N N 67 119.470 119.470 124.463 -4.993 18234 1578 1 8 . 1 1 66 66 GLU H H 67 8.085 8.085 8.215 -0.130 18234 1579 1 8 . 1 1 67 67 LEU N N 68 123.910 123.910 118.956 4.954 18234 1580 1 8 . 1 1 67 67 LEU H H 68 8.299 8.299 8.037 0.262 18234 1581 1 8 . 1 1 68 68 LEU N N 69 120.640 120.640 121.063 -0.423 18234 1582 1 8 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 1583 1 8 . 1 1 69 69 LYS N N 70 116.080 116.080 120.343 -4.263 18234 1584 1 8 . 1 1 69 69 LYS H H 70 8.400 8.400 8.508 -0.108 18234 1585 1 8 . 1 1 70 70 THR N N 71 117.490 117.490 113.934 3.556 18234 1586 1 8 . 1 1 70 70 THR H H 71 8.028 8.028 7.709 0.319 18234 1587 1 8 . 1 1 71 71 ILE N N 72 123.640 123.640 120.323 3.317 18234 1588 1 8 . 1 1 71 71 ILE H H 72 8.459 8.459 7.524 0.935 18234 1589 1 8 . 1 1 72 72 ARG N N 73 113.350 113.350 118.819 -5.469 18234 1590 1 8 . 1 1 72 72 ARG H H 73 8.112 8.112 8.360 -0.248 18234 1591 1 8 . 1 1 73 73 ALA N N 74 118.900 118.900 122.486 -3.586 18234 1592 1 8 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 1593 1 8 . 1 1 74 74 ASP N N 75 121.870 121.870 120.581 1.289 18234 1594 1 8 . 1 1 74 74 ASP H H 75 7.399 7.399 7.811 -0.412 18234 1595 1 8 . 1 1 75 75 GLY N N 76 112.230 112.230 106.750 5.480 18234 1596 1 8 . 1 1 75 75 GLY H H 76 8.728 8.728 8.220 0.508 18234 1597 1 8 . 1 1 76 76 ALA N N 77 121.970 121.970 119.495 2.475 18234 1598 1 8 . 1 1 76 76 ALA H H 77 8.558 8.558 7.809 0.749 18234 1599 1 8 . 1 1 77 77 MET N N 78 116.180 116.180 117.351 -1.171 18234 1600 1 8 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 1601 1 8 . 1 1 78 78 SER N N 79 112.910 112.910 113.954 -1.044 18234 1602 1 8 . 1 1 78 78 SER H H 79 7.436 7.436 7.467 -0.031 18234 1603 1 8 . 1 1 79 79 ALA N N 80 123.080 123.080 121.770 1.310 18234 1604 1 8 . 1 1 79 79 ALA H H 80 8.246 8.246 8.049 0.197 18234 1605 1 8 . 1 1 80 80 LEU N N 81 124.130 124.130 120.479 3.651 18234 1606 1 8 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 1607 1 8 . 1 1 82 82 VAL N N 83 118.860 118.860 123.978 -5.118 18234 1608 1 8 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 1609 1 8 . 1 1 83 83 LEU N N 84 130.450 130.450 115.483 14.967 18234 1610 1 8 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 1611 1 8 . 1 1 84 84 MET N N 85 124.080 124.080 113.590 10.490 18234 1612 1 8 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 1613 1 8 . 1 1 85 85 VAL N N 86 124.810 124.810 122.638 2.172 18234 1614 1 8 . 1 1 85 85 VAL H H 86 9.198 9.198 7.633 1.565 18234 1615 1 8 . 1 1 86 86 THR N N 87 116.560 116.560 114.532 2.028 18234 1616 1 8 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 1617 1 8 . 1 1 87 87 ALA N N 88 125.460 125.460 122.448 3.012 18234 1618 1 8 . 1 1 87 87 ALA H H 88 8.807 8.807 7.716 1.091 18234 1619 1 8 . 1 1 89 89 ALA N N 90 129.990 129.990 123.940 6.050 18234 1620 1 8 . 1 1 89 89 ALA H H 90 9.090 9.090 7.748 1.341 18234 1621 1 8 . 1 1 90 90 LYS N N 91 121.030 121.030 118.964 2.066 18234 1622 1 8 . 1 1 90 90 LYS H H 91 7.197 7.197 7.973 -0.776 18234 1623 1 8 . 1 1 92 92 GLU N N 93 116.280 116.280 119.459 -3.179 18234 1624 1 8 . 1 1 92 92 GLU H H 93 9.648 9.648 8.382 1.266 18234 1625 1 8 . 1 1 93 93 ASN N N 94 117.030 117.030 120.795 -3.765 18234 1626 1 8 . 1 1 93 93 ASN H H 94 7.116 7.116 8.368 -1.252 18234 1627 1 8 . 1 1 94 94 ILE N N 95 121.110 121.110 122.375 -1.265 18234 1628 1 8 . 1 1 94 94 ILE H H 95 7.546 7.546 8.126 -0.580 18234 1629 1 8 . 1 1 95 95 ILE N N 96 117.160 117.160 120.354 -3.194 18234 1630 1 8 . 1 1 95 95 ILE H H 96 8.172 8.172 8.101 0.071 18234 1631 1 8 . 1 1 96 96 ALA N N 97 120.060 120.060 122.294 -2.234 18234 1632 1 8 . 1 1 96 96 ALA H H 97 7.541 7.541 7.995 -0.454 18234 1633 1 8 . 1 1 97 97 ALA N N 98 119.150 119.150 122.924 -3.774 18234 1634 1 8 . 1 1 97 97 ALA H H 98 8.524 8.524 8.230 0.294 18234 1635 1 8 . 1 1 99 99 GLN N N 100 118.210 118.210 119.210 -1.000 18234 1636 1 8 . 1 1 99 99 GLN H H 100 8.974 8.974 7.627 1.347 18234 1637 1 8 . 1 1 100 100 ALA N N 101 117.990 117.990 122.065 -4.075 18234 1638 1 8 . 1 1 100 100 ALA H H 101 7.624 7.624 7.788 -0.164 18234 1639 1 8 . 1 1 102 102 ALA N N 103 123.640 123.640 120.508 3.132 18234 1640 1 8 . 1 1 102 102 ALA H H 103 8.726 8.726 8.035 0.691 18234 1641 1 8 . 1 1 103 103 SER N N 104 115.000 115.000 115.157 -0.157 18234 1642 1 8 . 1 1 103 103 SER H H 104 9.114 9.114 7.471 1.643 18234 1643 1 8 . 1 1 104 104 GLY N N 105 125.250 125.250 107.101 18.149 18234 1644 1 8 . 1 1 104 104 GLY H H 105 7.442 7.442 7.433 0.009 18234 1645 1 8 . 1 1 105 105 TYR N N 106 118.860 118.860 118.316 0.544 18234 1646 1 8 . 1 1 105 105 TYR H H 106 8.524 8.524 7.954 0.570 18234 1647 1 8 . 1 1 107 107 VAL N N 108 127.360 127.360 117.008 10.352 18234 1648 1 8 . 1 1 107 107 VAL H H 108 8.089 8.089 8.059 0.030 18234 1649 1 8 . 1 1 108 108 LYS N N 109 123.480 123.480 120.006 3.474 18234 1650 1 8 . 1 1 108 108 LYS H H 109 8.376 8.376 7.679 0.697 18234 1651 1 8 . 1 1 111 111 THR N N 112 130.470 130.470 113.458 17.012 18234 1652 1 8 . 1 1 111 111 THR H H 112 7.916 7.916 8.266 -0.350 18234 1653 1 8 . 1 1 112 112 ALA N N 113 122.650 122.650 129.489 -6.839 18234 1654 1 8 . 1 1 112 112 ALA H H 113 9.188 9.188 8.751 0.437 18234 1655 1 8 . 1 1 113 113 ALA N N 114 118.690 118.690 121.405 -2.715 18234 1656 1 8 . 1 1 113 113 ALA H H 114 8.212 8.212 8.215 -0.003 18234 1657 1 8 . 1 1 115 115 LEU N N 116 121.770 121.770 125.172 -3.402 18234 1658 1 8 . 1 1 115 115 LEU H H 116 8.235 8.235 7.959 0.276 18234 1659 1 8 . 1 1 116 116 GLU N N 117 119.060 119.060 118.774 0.286 18234 1660 1 8 . 1 1 116 116 GLU H H 117 8.857 8.857 8.163 0.694 18234 1661 1 8 . 1 1 117 117 GLU N N 118 117.750 117.750 121.481 -3.731 18234 1662 1 8 . 1 1 117 117 GLU H H 118 7.670 7.670 8.393 -0.723 18234 1663 1 8 . 1 1 119 119 LEU N N 120 118.400 118.400 120.749 -2.349 18234 1664 1 8 . 1 1 119 119 LEU H H 120 8.543 8.543 7.933 0.610 18234 1665 1 8 . 1 1 120 120 ASN N N 121 115.130 115.130 118.589 -3.459 18234 1666 1 8 . 1 1 120 120 ASN H H 121 8.605 8.605 8.005 0.600 18234 1667 1 8 . 1 1 121 121 LYS N N 122 119.730 119.730 120.571 -0.841 18234 1668 1 8 . 1 1 121 121 LYS H H 122 7.585 7.585 7.915 -0.330 18234 1669 1 8 . 1 1 122 122 ILE N N 123 120.980 120.980 117.703 3.277 18234 1670 1 8 . 1 1 122 122 ILE H H 123 7.385 7.385 8.147 -0.762 18234 1671 1 8 . 1 1 123 123 PHE N N 124 117.660 117.660 117.054 0.606 18234 1672 1 8 . 1 1 123 123 PHE H H 124 9.111 9.111 8.182 0.929 18234 1673 1 8 . 1 1 124 124 GLU N N 125 119.190 119.190 120.153 -0.963 18234 1674 1 8 . 1 1 124 124 GLU H H 125 8.330 8.330 7.852 0.478 18234 1675 1 8 . 1 1 125 125 LYS N N 126 121.310 121.310 121.042 0.268 18234 1676 1 8 . 1 1 125 125 LYS H H 126 8.317 8.317 8.086 0.231 18234 1677 1 8 . 1 1 127 127 GLY N N 128 110.530 110.530 106.632 3.898 18234 1678 1 8 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 1679 1 8 . 1 1 128 128 MET N N 129 124.430 124.430 118.133 6.297 18234 1680 1 8 . 1 1 128 128 MET H H 129 8.432 8.432 8.182 0.250 18234 1681 1 9 . 1 1 2 2 ASP N N 3 121.390 121.390 127.159 -5.769 18234 1682 1 9 . 1 1 2 2 ASP H H 3 8.589 8.589 8.824 -0.235 18234 1683 1 9 . 1 1 3 3 LYS N N 4 122.470 122.470 126.375 -3.905 18234 1684 1 9 . 1 1 3 3 LYS H H 4 8.529 8.529 8.425 0.104 18234 1685 1 9 . 1 1 4 4 GLU N N 5 119.020 119.020 123.720 -4.700 18234 1686 1 9 . 1 1 4 4 GLU H H 5 8.702 8.702 8.890 -0.188 18234 1687 1 9 . 1 1 5 5 LEU N N 6 124.230 124.230 121.744 2.486 18234 1688 1 9 . 1 1 5 5 LEU H H 6 7.530 7.530 7.862 -0.332 18234 1689 1 9 . 1 1 6 6 LYS N N 7 126.090 126.090 119.773 6.317 18234 1690 1 9 . 1 1 6 6 LYS H H 7 8.486 8.486 7.241 1.245 18234 1691 1 9 . 1 1 7 7 PHE N N 8 128.540 128.540 117.864 10.676 18234 1692 1 9 . 1 1 7 7 PHE H H 8 9.206 9.206 6.836 2.370 18234 1693 1 9 . 1 1 8 8 LEU N N 9 121.920 121.920 120.969 0.951 18234 1694 1 9 . 1 1 8 8 LEU H H 9 8.827 8.827 7.514 1.313 18234 1695 1 9 . 1 1 9 9 VAL N N 10 127.280 127.280 119.951 7.329 18234 1696 1 9 . 1 1 9 9 VAL H H 10 8.983 8.983 8.505 0.478 18234 1697 1 9 . 1 1 10 10 VAL N N 11 127.250 127.250 120.052 7.198 18234 1698 1 9 . 1 1 10 10 VAL H H 11 9.251 9.251 8.291 0.960 18234 1699 1 9 . 1 1 11 11 ASP N N 12 123.770 123.770 123.975 -0.205 18234 1700 1 9 . 1 1 11 11 ASP H H 12 8.144 8.144 7.616 0.528 18234 1701 1 9 . 1 1 12 12 ASP N N 13 124.940 124.940 118.459 6.481 18234 1702 1 9 . 1 1 12 12 ASP H H 13 9.709 9.709 8.632 1.077 18234 1703 1 9 . 1 1 14 14 SER N N 15 126.800 126.800 115.728 11.072 18234 1704 1 9 . 1 1 14 14 SER H H 15 9.493 9.493 8.204 1.289 18234 1705 1 9 . 1 1 15 15 THR N N 16 116.700 116.700 114.540 2.160 18234 1706 1 9 . 1 1 15 15 THR H H 16 7.372 7.372 8.999 -1.627 18234 1707 1 9 . 1 1 16 16 MET N N 17 119.000 119.000 118.186 0.814 18234 1708 1 9 . 1 1 16 16 MET H H 17 6.326 6.326 7.958 -1.632 18234 1709 1 9 . 1 1 17 17 ARG N N 18 116.670 116.670 119.998 -3.328 18234 1710 1 9 . 1 1 17 17 ARG H H 18 7.515 7.515 7.823 -0.308 18234 1711 1 9 . 1 1 18 18 ARG N N 19 116.980 116.980 119.484 -2.504 18234 1712 1 9 . 1 1 18 18 ARG H H 19 7.638 7.638 8.663 -1.025 18234 1713 1 9 . 1 1 19 19 ILE N N 20 120.790 120.790 118.790 2.000 18234 1714 1 9 . 1 1 19 19 ILE H H 20 7.789 7.789 8.328 -0.539 18234 1715 1 9 . 1 1 20 20 VAL N N 21 119.340 119.340 120.154 -0.814 18234 1716 1 9 . 1 1 20 20 VAL H H 21 8.389 8.389 8.101 0.288 18234 1717 1 9 . 1 1 21 21 ARG N N 22 119.430 119.430 119.330 0.100 18234 1718 1 9 . 1 1 21 21 ARG H H 22 8.622 8.622 8.104 0.518 18234 1719 1 9 . 1 1 23 23 LEU N N 24 123.390 123.390 120.573 2.817 18234 1720 1 9 . 1 1 23 23 LEU H H 24 8.490 8.490 7.996 0.494 18234 1721 1 9 . 1 1 25 25 LYS N N 26 120.620 120.620 120.883 -0.263 18234 1722 1 9 . 1 1 25 25 LYS H H 26 7.932 7.932 8.014 -0.082 18234 1723 1 9 . 1 1 26 26 GLU N N 27 122.290 122.290 118.897 3.393 18234 1724 1 9 . 1 1 26 26 GLU H H 27 7.985 7.985 8.468 -0.483 18234 1725 1 9 . 1 1 27 27 LEU N N 28 117.210 117.210 117.142 0.068 18234 1726 1 9 . 1 1 27 27 LEU H H 28 7.431 7.431 8.158 -0.727 18234 1727 1 9 . 1 1 28 28 GLY N N 29 128.170 128.170 104.361 23.809 18234 1728 1 9 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 1729 1 9 . 1 1 29 29 PHE N N 30 121.140 121.140 120.175 0.965 18234 1730 1 9 . 1 1 29 29 PHE H H 30 8.188 8.188 7.432 0.756 18234 1731 1 9 . 1 1 30 30 ASN N N 31 118.220 118.220 122.977 -4.757 18234 1732 1 9 . 1 1 30 30 ASN H H 31 8.305 8.305 8.609 -0.304 18234 1733 1 9 . 1 1 32 32 VAL N N 33 122.030 122.030 114.904 7.126 18234 1734 1 9 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 1735 1 9 . 1 1 33 33 GLU N N 34 126.880 126.880 119.521 7.359 18234 1736 1 9 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 1737 1 9 . 1 1 35 35 ALA N N 36 120.500 120.500 126.160 -5.660 18234 1738 1 9 . 1 1 35 35 ALA H H 36 8.878 8.878 8.080 0.798 18234 1739 1 9 . 1 1 36 36 GLU N N 37 117.420 117.420 127.605 -10.185 18234 1740 1 9 . 1 1 36 36 GLU H H 37 9.476 9.476 8.921 0.554 18234 1741 1 9 . 1 1 37 37 ASP N N 38 131.500 131.500 117.458 14.042 18234 1742 1 9 . 1 1 37 37 ASP H H 38 7.450 7.450 8.116 -0.666 18234 1743 1 9 . 1 1 38 38 GLY N N 39 124.390 124.390 107.608 16.782 18234 1744 1 9 . 1 1 38 38 GLY H H 39 8.148 8.148 7.805 0.343 18234 1745 1 9 . 1 1 39 39 VAL N N 40 122.620 122.620 120.019 2.601 18234 1746 1 9 . 1 1 39 39 VAL H H 40 7.962 7.962 8.137 -0.175 18234 1747 1 9 . 1 1 40 40 ASP N N 41 121.110 121.110 119.492 1.618 18234 1748 1 9 . 1 1 40 40 ASP H H 41 8.518 8.518 8.318 0.200 18234 1749 1 9 . 1 1 41 41 ALA N N 42 116.970 116.970 122.789 -5.819 18234 1750 1 9 . 1 1 41 41 ALA H H 42 8.337 8.337 7.323 1.014 18234 1751 1 9 . 1 1 42 42 LEU N N 43 118.280 118.280 120.050 -1.770 18234 1752 1 9 . 1 1 42 42 LEU H H 43 8.121 8.121 7.510 0.611 18234 1753 1 9 . 1 1 45 45 LEU N N 46 118.530 118.530 120.555 -2.025 18234 1754 1 9 . 1 1 45 45 LEU H H 46 8.748 8.748 8.145 0.603 18234 1755 1 9 . 1 1 46 46 GLN N N 47 116.820 116.820 118.653 -1.833 18234 1756 1 9 . 1 1 46 46 GLN H H 47 7.865 7.865 8.079 -0.214 18234 1757 1 9 . 1 1 47 47 ALA N N 48 120.460 120.460 122.741 -2.281 18234 1758 1 9 . 1 1 47 47 ALA H H 48 7.611 7.611 8.273 -0.662 18234 1759 1 9 . 1 1 48 48 GLY N N 49 126.280 126.280 108.503 17.777 18234 1760 1 9 . 1 1 48 48 GLY H H 49 7.574 7.574 8.146 -0.572 18234 1761 1 9 . 1 1 49 49 GLY N N 50 125.810 125.810 110.828 14.982 18234 1762 1 9 . 1 1 49 49 GLY H H 50 8.367 8.367 8.492 -0.125 18234 1763 1 9 . 1 1 50 50 TYR N N 51 118.740 118.740 121.040 -2.300 18234 1764 1 9 . 1 1 50 50 TYR H H 51 8.126 8.126 8.307 -0.181 18234 1765 1 9 . 1 1 51 51 GLY N N 52 128.900 128.900 105.875 23.025 18234 1766 1 9 . 1 1 51 51 GLY H H 52 9.556 9.556 7.873 1.683 18234 1767 1 9 . 1 1 52 52 PHE N N 53 121.380 121.380 120.427 0.953 18234 1768 1 9 . 1 1 52 52 PHE H H 53 7.527 7.527 7.759 -0.232 18234 1769 1 9 . 1 1 53 53 VAL N N 54 127.150 127.150 121.539 5.611 18234 1770 1 9 . 1 1 53 53 VAL H H 54 8.246 8.246 8.200 0.046 18234 1771 1 9 . 1 1 54 54 ILE N N 55 128.130 128.130 118.881 9.249 18234 1772 1 9 . 1 1 54 54 ILE H H 55 9.235 9.235 8.250 0.985 18234 1773 1 9 . 1 1 55 55 SER N N 56 118.200 118.200 119.291 -1.091 18234 1774 1 9 . 1 1 55 55 SER H H 56 8.678 8.678 7.862 0.816 18234 1775 1 9 . 1 1 56 56 ASP N N 57 127.290 127.290 117.193 10.097 18234 1776 1 9 . 1 1 56 56 ASP H H 57 8.412 8.412 7.388 1.024 18234 1777 1 9 . 1 1 58 58 ASN N N 59 116.980 116.980 120.241 -3.261 18234 1778 1 9 . 1 1 58 58 ASN H H 59 8.716 8.716 8.350 0.366 18234 1779 1 9 . 1 1 61 61 ASN N N 62 112.140 112.140 118.783 -6.643 18234 1780 1 9 . 1 1 61 61 ASN H H 62 8.598 8.598 7.869 0.729 18234 1781 1 9 . 1 1 62 62 MET N N 63 122.950 122.950 119.525 3.425 18234 1782 1 9 . 1 1 62 62 MET H H 63 9.192 9.192 8.611 0.581 18234 1783 1 9 . 1 1 63 63 ASP N N 64 126.540 126.540 119.470 7.070 18234 1784 1 9 . 1 1 63 63 ASP H H 64 8.518 8.518 8.356 0.162 18234 1785 1 9 . 1 1 65 65 LEU N N 66 121.870 121.870 122.158 -0.288 18234 1786 1 9 . 1 1 65 65 LEU H H 66 7.733 7.733 8.536 -0.803 18234 1787 1 9 . 1 1 66 66 GLU N N 67 119.470 119.470 124.464 -4.994 18234 1788 1 9 . 1 1 66 66 GLU H H 67 8.085 8.085 8.217 -0.132 18234 1789 1 9 . 1 1 67 67 LEU N N 68 123.910 123.910 118.655 5.255 18234 1790 1 9 . 1 1 67 67 LEU H H 68 8.299 8.299 7.974 0.325 18234 1791 1 9 . 1 1 68 68 LEU N N 69 120.640 120.640 121.052 -0.412 18234 1792 1 9 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 1793 1 9 . 1 1 69 69 LYS N N 70 116.080 116.080 120.270 -4.190 18234 1794 1 9 . 1 1 69 69 LYS H H 70 8.400 8.400 8.520 -0.120 18234 1795 1 9 . 1 1 70 70 THR N N 71 117.490 117.490 114.057 3.433 18234 1796 1 9 . 1 1 70 70 THR H H 71 8.028 8.028 7.733 0.295 18234 1797 1 9 . 1 1 71 71 ILE N N 72 123.640 123.640 120.485 3.155 18234 1798 1 9 . 1 1 71 71 ILE H H 72 8.459 8.459 7.517 0.942 18234 1799 1 9 . 1 1 72 72 ARG N N 73 113.350 113.350 118.823 -5.473 18234 1800 1 9 . 1 1 72 72 ARG H H 73 8.112 8.112 8.359 -0.247 18234 1801 1 9 . 1 1 73 73 ALA N N 74 118.900 118.900 122.496 -3.596 18234 1802 1 9 . 1 1 73 73 ALA H H 74 7.286 7.286 8.238 -0.952 18234 1803 1 9 . 1 1 74 74 ASP N N 75 121.870 121.870 120.586 1.284 18234 1804 1 9 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 1805 1 9 . 1 1 75 75 GLY N N 76 112.230 112.230 106.763 5.467 18234 1806 1 9 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 1807 1 9 . 1 1 76 76 ALA N N 77 121.970 121.970 119.503 2.467 18234 1808 1 9 . 1 1 76 76 ALA H H 77 8.558 8.558 7.808 0.750 18234 1809 1 9 . 1 1 77 77 MET N N 78 116.180 116.180 117.359 -1.179 18234 1810 1 9 . 1 1 77 77 MET H H 78 8.477 8.477 8.076 0.401 18234 1811 1 9 . 1 1 78 78 SER N N 79 112.910 112.910 113.956 -1.046 18234 1812 1 9 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 1813 1 9 . 1 1 79 79 ALA N N 80 123.080 123.080 121.775 1.305 18234 1814 1 9 . 1 1 79 79 ALA H H 80 8.246 8.246 8.045 0.201 18234 1815 1 9 . 1 1 80 80 LEU N N 81 124.130 124.130 120.481 3.649 18234 1816 1 9 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 1817 1 9 . 1 1 82 82 VAL N N 83 118.860 118.860 123.987 -5.127 18234 1818 1 9 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 1819 1 9 . 1 1 83 83 LEU N N 84 130.450 130.450 115.490 14.960 18234 1820 1 9 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 1821 1 9 . 1 1 84 84 MET N N 85 124.080 124.080 113.605 10.475 18234 1822 1 9 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 1823 1 9 . 1 1 85 85 VAL N N 86 124.810 124.810 122.639 2.171 18234 1824 1 9 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 1825 1 9 . 1 1 86 86 THR N N 87 116.560 116.560 114.528 2.032 18234 1826 1 9 . 1 1 86 86 THR H H 87 8.715 8.715 8.632 0.083 18234 1827 1 9 . 1 1 87 87 ALA N N 88 125.460 125.460 122.449 3.011 18234 1828 1 9 . 1 1 87 87 ALA H H 88 8.807 8.807 7.722 1.085 18234 1829 1 9 . 1 1 89 89 ALA N N 90 129.990 129.990 123.947 6.043 18234 1830 1 9 . 1 1 89 89 ALA H H 90 9.090 9.090 7.752 1.338 18234 1831 1 9 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 1832 1 9 . 1 1 90 90 LYS H H 91 7.197 7.197 7.974 -0.777 18234 1833 1 9 . 1 1 92 92 GLU N N 93 116.280 116.280 119.462 -3.182 18234 1834 1 9 . 1 1 92 92 GLU H H 93 9.648 9.648 8.386 1.262 18234 1835 1 9 . 1 1 93 93 ASN N N 94 117.030 117.030 120.798 -3.768 18234 1836 1 9 . 1 1 93 93 ASN H H 94 7.116 7.116 8.378 -1.262 18234 1837 1 9 . 1 1 94 94 ILE N N 95 121.110 121.110 122.384 -1.274 18234 1838 1 9 . 1 1 94 94 ILE H H 95 7.546 7.546 8.135 -0.589 18234 1839 1 9 . 1 1 95 95 ILE N N 96 117.160 117.160 120.360 -3.200 18234 1840 1 9 . 1 1 95 95 ILE H H 96 8.172 8.172 8.112 0.060 18234 1841 1 9 . 1 1 96 96 ALA N N 97 120.060 120.060 122.299 -2.239 18234 1842 1 9 . 1 1 96 96 ALA H H 97 7.541 7.541 7.997 -0.456 18234 1843 1 9 . 1 1 97 97 ALA N N 98 119.150 119.150 122.943 -3.793 18234 1844 1 9 . 1 1 97 97 ALA H H 98 8.524 8.524 8.238 0.286 18234 1845 1 9 . 1 1 99 99 GLN N N 100 118.210 118.210 119.192 -0.982 18234 1846 1 9 . 1 1 99 99 GLN H H 100 8.974 8.974 7.630 1.344 18234 1847 1 9 . 1 1 100 100 ALA N N 101 117.990 117.990 122.059 -4.069 18234 1848 1 9 . 1 1 100 100 ALA H H 101 7.624 7.624 7.788 -0.164 18234 1849 1 9 . 1 1 102 102 ALA N N 103 123.640 123.640 120.505 3.135 18234 1850 1 9 . 1 1 102 102 ALA H H 103 8.726 8.726 8.032 0.694 18234 1851 1 9 . 1 1 103 103 SER N N 104 115.000 115.000 115.131 -0.131 18234 1852 1 9 . 1 1 103 103 SER H H 104 9.114 9.114 7.467 1.647 18234 1853 1 9 . 1 1 104 104 GLY N N 105 125.250 125.250 107.111 18.139 18234 1854 1 9 . 1 1 104 104 GLY H H 105 7.442 7.442 7.449 -0.007 18234 1855 1 9 . 1 1 105 105 TYR N N 106 118.860 118.860 118.171 0.689 18234 1856 1 9 . 1 1 105 105 TYR H H 106 8.524 8.524 7.864 0.660 18234 1857 1 9 . 1 1 107 107 VAL N N 108 127.360 127.360 116.983 10.377 18234 1858 1 9 . 1 1 107 107 VAL H H 108 8.089 8.089 8.013 0.076 18234 1859 1 9 . 1 1 108 108 LYS N N 109 123.480 123.480 119.992 3.488 18234 1860 1 9 . 1 1 108 108 LYS H H 109 8.376 8.376 7.666 0.710 18234 1861 1 9 . 1 1 111 111 THR N N 112 130.470 130.470 113.466 17.004 18234 1862 1 9 . 1 1 111 111 THR H H 112 7.916 7.916 8.267 -0.351 18234 1863 1 9 . 1 1 112 112 ALA N N 113 122.650 122.650 129.498 -6.848 18234 1864 1 9 . 1 1 112 112 ALA H H 113 9.188 9.188 8.752 0.436 18234 1865 1 9 . 1 1 113 113 ALA N N 114 118.690 118.690 121.404 -2.714 18234 1866 1 9 . 1 1 113 113 ALA H H 114 8.212 8.212 8.217 -0.005 18234 1867 1 9 . 1 1 115 115 LEU N N 116 121.770 121.770 125.067 -3.297 18234 1868 1 9 . 1 1 115 115 LEU H H 116 8.235 8.235 7.935 0.300 18234 1869 1 9 . 1 1 116 116 GLU N N 117 119.060 119.060 118.764 0.296 18234 1870 1 9 . 1 1 116 116 GLU H H 117 8.857 8.857 8.167 0.690 18234 1871 1 9 . 1 1 117 117 GLU N N 118 117.750 117.750 121.481 -3.731 18234 1872 1 9 . 1 1 117 117 GLU H H 118 7.670 7.670 8.396 -0.726 18234 1873 1 9 . 1 1 119 119 LEU N N 120 118.400 118.400 120.758 -2.358 18234 1874 1 9 . 1 1 119 119 LEU H H 120 8.543 8.543 7.935 0.608 18234 1875 1 9 . 1 1 120 120 ASN N N 121 115.130 115.130 118.584 -3.454 18234 1876 1 9 . 1 1 120 120 ASN H H 121 8.605 8.605 8.003 0.602 18234 1877 1 9 . 1 1 121 121 LYS N N 122 119.730 119.730 120.559 -0.829 18234 1878 1 9 . 1 1 121 121 LYS H H 122 7.585 7.585 7.918 -0.333 18234 1879 1 9 . 1 1 122 122 ILE N N 123 120.980 120.980 117.714 3.266 18234 1880 1 9 . 1 1 122 122 ILE H H 123 7.385 7.385 8.152 -0.767 18234 1881 1 9 . 1 1 123 123 PHE N N 124 117.660 117.660 117.049 0.611 18234 1882 1 9 . 1 1 123 123 PHE H H 124 9.111 9.111 8.184 0.927 18234 1883 1 9 . 1 1 124 124 GLU N N 125 119.190 119.190 120.163 -0.973 18234 1884 1 9 . 1 1 124 124 GLU H H 125 8.330 8.330 7.854 0.476 18234 1885 1 9 . 1 1 125 125 LYS N N 126 121.310 121.310 121.038 0.272 18234 1886 1 9 . 1 1 125 125 LYS H H 126 8.317 8.317 8.089 0.228 18234 1887 1 9 . 1 1 127 127 GLY N N 128 110.530 110.530 106.848 3.682 18234 1888 1 9 . 1 1 127 127 GLY H H 128 7.966 7.966 7.809 0.157 18234 1889 1 9 . 1 1 128 128 MET N N 129 124.430 124.430 118.173 6.257 18234 1890 1 9 . 1 1 128 128 MET H H 129 8.432 8.432 8.190 0.242 18234 1891 1 10 . 1 1 2 2 ASP N N 3 121.390 121.390 123.978 -2.588 18234 1892 1 10 . 1 1 2 2 ASP H H 3 8.589 8.589 8.446 0.143 18234 1893 1 10 . 1 1 3 3 LYS N N 4 122.470 122.470 127.169 -4.699 18234 1894 1 10 . 1 1 3 3 LYS H H 4 8.529 8.529 8.605 -0.076 18234 1895 1 10 . 1 1 4 4 GLU N N 5 119.020 119.020 124.643 -5.623 18234 1896 1 10 . 1 1 4 4 GLU H H 5 8.702 8.702 8.821 -0.119 18234 1897 1 10 . 1 1 5 5 LEU N N 6 124.230 124.230 120.037 4.193 18234 1898 1 10 . 1 1 5 5 LEU H H 6 7.530 7.530 7.834 -0.304 18234 1899 1 10 . 1 1 6 6 LYS N N 7 126.090 126.090 120.088 6.002 18234 1900 1 10 . 1 1 6 6 LYS H H 7 8.486 8.486 7.811 0.675 18234 1901 1 10 . 1 1 7 7 PHE N N 8 128.540 128.540 115.316 13.224 18234 1902 1 10 . 1 1 7 7 PHE H H 8 9.206 9.206 7.170 2.036 18234 1903 1 10 . 1 1 8 8 LEU N N 9 121.920 121.920 121.789 0.131 18234 1904 1 10 . 1 1 8 8 LEU H H 9 8.827 8.827 7.121 1.706 18234 1905 1 10 . 1 1 9 9 VAL N N 10 127.280 127.280 118.899 8.381 18234 1906 1 10 . 1 1 9 9 VAL H H 10 8.983 8.983 8.697 0.286 18234 1907 1 10 . 1 1 10 10 VAL N N 11 127.250 127.250 119.392 7.858 18234 1908 1 10 . 1 1 10 10 VAL H H 11 9.251 9.251 8.259 0.992 18234 1909 1 10 . 1 1 11 11 ASP N N 12 123.770 123.770 124.269 -0.499 18234 1910 1 10 . 1 1 11 11 ASP H H 12 8.144 8.144 7.578 0.566 18234 1911 1 10 . 1 1 12 12 ASP N N 13 124.940 124.940 118.631 6.309 18234 1912 1 10 . 1 1 12 12 ASP H H 13 9.709 9.709 8.712 0.997 18234 1913 1 10 . 1 1 14 14 SER N N 15 126.800 126.800 115.534 11.266 18234 1914 1 10 . 1 1 14 14 SER H H 15 9.493 9.493 8.089 1.404 18234 1915 1 10 . 1 1 15 15 THR N N 16 116.700 116.700 114.464 2.236 18234 1916 1 10 . 1 1 15 15 THR H H 16 7.372 7.372 8.562 -1.190 18234 1917 1 10 . 1 1 16 16 MET N N 17 119.000 119.000 118.078 0.922 18234 1918 1 10 . 1 1 16 16 MET H H 17 6.326 6.326 7.830 -1.504 18234 1919 1 10 . 1 1 17 17 ARG N N 18 116.670 116.670 119.938 -3.268 18234 1920 1 10 . 1 1 17 17 ARG H H 18 7.515 7.515 7.750 -0.235 18234 1921 1 10 . 1 1 18 18 ARG N N 19 116.980 116.980 119.421 -2.441 18234 1922 1 10 . 1 1 18 18 ARG H H 19 7.638 7.638 8.580 -0.942 18234 1923 1 10 . 1 1 19 19 ILE N N 20 120.790 120.790 118.740 2.050 18234 1924 1 10 . 1 1 19 19 ILE H H 20 7.789 7.789 8.277 -0.488 18234 1925 1 10 . 1 1 20 20 VAL N N 21 119.340 119.340 120.120 -0.780 18234 1926 1 10 . 1 1 20 20 VAL H H 21 8.389 8.389 8.072 0.317 18234 1927 1 10 . 1 1 21 21 ARG N N 22 119.430 119.430 119.320 0.110 18234 1928 1 10 . 1 1 21 21 ARG H H 22 8.622 8.622 8.080 0.542 18234 1929 1 10 . 1 1 23 23 LEU N N 24 123.390 123.390 120.542 2.848 18234 1930 1 10 . 1 1 23 23 LEU H H 24 8.490 8.490 7.988 0.502 18234 1931 1 10 . 1 1 25 25 LYS N N 26 120.620 120.620 120.094 0.526 18234 1932 1 10 . 1 1 25 25 LYS H H 26 7.932 7.932 7.961 -0.029 18234 1933 1 10 . 1 1 26 26 GLU N N 27 122.290 122.290 118.894 3.396 18234 1934 1 10 . 1 1 26 26 GLU H H 27 7.985 7.985 8.461 -0.476 18234 1935 1 10 . 1 1 27 27 LEU N N 28 117.210 117.210 117.140 0.070 18234 1936 1 10 . 1 1 27 27 LEU H H 28 7.431 7.431 8.157 -0.726 18234 1937 1 10 . 1 1 28 28 GLY N N 29 128.170 128.170 104.368 23.802 18234 1938 1 10 . 1 1 28 28 GLY H H 29 7.735 7.735 7.644 0.091 18234 1939 1 10 . 1 1 29 29 PHE N N 30 121.140 121.140 119.999 1.141 18234 1940 1 10 . 1 1 29 29 PHE H H 30 8.188 8.188 7.423 0.765 18234 1941 1 10 . 1 1 30 30 ASN N N 31 118.220 118.220 122.952 -4.732 18234 1942 1 10 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 1943 1 10 . 1 1 32 32 VAL N N 33 122.030 122.030 114.890 7.140 18234 1944 1 10 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 1945 1 10 . 1 1 33 33 GLU N N 34 126.880 126.880 119.511 7.369 18234 1946 1 10 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 1947 1 10 . 1 1 35 35 ALA N N 36 120.500 120.500 126.408 -5.908 18234 1948 1 10 . 1 1 35 35 ALA H H 36 8.878 8.878 8.112 0.766 18234 1949 1 10 . 1 1 36 36 GLU N N 37 117.420 117.420 127.602 -10.182 18234 1950 1 10 . 1 1 36 36 GLU H H 37 9.476 9.476 8.921 0.555 18234 1951 1 10 . 1 1 37 37 ASP N N 38 131.500 131.500 117.540 13.960 18234 1952 1 10 . 1 1 37 37 ASP H H 38 7.450 7.450 8.204 -0.754 18234 1953 1 10 . 1 1 38 38 GLY N N 39 124.390 124.390 108.351 16.039 18234 1954 1 10 . 1 1 38 38 GLY H H 39 8.148 8.148 7.759 0.389 18234 1955 1 10 . 1 1 39 39 VAL N N 40 122.620 122.620 119.727 2.893 18234 1956 1 10 . 1 1 39 39 VAL H H 40 7.962 7.962 8.037 -0.075 18234 1957 1 10 . 1 1 40 40 ASP N N 41 121.110 121.110 119.228 1.882 18234 1958 1 10 . 1 1 40 40 ASP H H 41 8.518 8.518 8.297 0.221 18234 1959 1 10 . 1 1 41 41 ALA N N 42 116.970 116.970 122.717 -5.747 18234 1960 1 10 . 1 1 41 41 ALA H H 42 8.337 8.337 7.315 1.022 18234 1961 1 10 . 1 1 42 42 LEU N N 43 118.280 118.280 120.045 -1.765 18234 1962 1 10 . 1 1 42 42 LEU H H 43 8.121 8.121 7.506 0.615 18234 1963 1 10 . 1 1 45 45 LEU N N 46 118.530 118.530 120.070 -1.540 18234 1964 1 10 . 1 1 45 45 LEU H H 46 8.748 8.748 8.098 0.650 18234 1965 1 10 . 1 1 46 46 GLN N N 47 116.820 116.820 118.647 -1.827 18234 1966 1 10 . 1 1 46 46 GLN H H 47 7.865 7.865 8.072 -0.207 18234 1967 1 10 . 1 1 47 47 ALA N N 48 120.460 120.460 122.740 -2.280 18234 1968 1 10 . 1 1 47 47 ALA H H 48 7.611 7.611 8.273 -0.662 18234 1969 1 10 . 1 1 48 48 GLY N N 49 126.280 126.280 108.651 17.629 18234 1970 1 10 . 1 1 48 48 GLY H H 49 7.574 7.574 8.193 -0.619 18234 1971 1 10 . 1 1 49 49 GLY N N 50 125.810 125.810 110.852 14.958 18234 1972 1 10 . 1 1 49 49 GLY H H 50 8.367 8.367 8.481 -0.114 18234 1973 1 10 . 1 1 50 50 TYR N N 51 118.740 118.740 121.060 -2.320 18234 1974 1 10 . 1 1 50 50 TYR H H 51 8.126 8.126 8.313 -0.187 18234 1975 1 10 . 1 1 51 51 GLY N N 52 128.900 128.900 105.927 22.973 18234 1976 1 10 . 1 1 51 51 GLY H H 52 9.556 9.556 7.923 1.633 18234 1977 1 10 . 1 1 52 52 PHE N N 53 121.380 121.380 120.665 0.715 18234 1978 1 10 . 1 1 52 52 PHE H H 53 7.527 7.527 8.014 -0.487 18234 1979 1 10 . 1 1 53 53 VAL N N 54 127.150 127.150 121.455 5.695 18234 1980 1 10 . 1 1 53 53 VAL H H 54 8.246 8.246 8.224 0.022 18234 1981 1 10 . 1 1 54 54 ILE N N 55 128.130 128.130 118.695 9.435 18234 1982 1 10 . 1 1 54 54 ILE H H 55 9.235 9.235 8.152 1.083 18234 1983 1 10 . 1 1 55 55 SER N N 56 118.200 118.200 119.461 -1.261 18234 1984 1 10 . 1 1 55 55 SER H H 56 8.678 8.678 7.749 0.929 18234 1985 1 10 . 1 1 56 56 ASP N N 57 127.290 127.290 116.710 10.580 18234 1986 1 10 . 1 1 56 56 ASP H H 57 8.412 8.412 6.896 1.516 18234 1987 1 10 . 1 1 58 58 ASN N N 59 116.980 116.980 119.562 -2.582 18234 1988 1 10 . 1 1 58 58 ASN H H 59 8.716 8.716 8.040 0.676 18234 1989 1 10 . 1 1 61 61 ASN N N 62 112.140 112.140 118.897 -6.757 18234 1990 1 10 . 1 1 61 61 ASN H H 62 8.598 8.598 7.826 0.772 18234 1991 1 10 . 1 1 62 62 MET N N 63 122.950 122.950 120.104 2.846 18234 1992 1 10 . 1 1 62 62 MET H H 63 9.192 9.192 8.581 0.611 18234 1993 1 10 . 1 1 63 63 ASP N N 64 126.540 126.540 119.764 6.776 18234 1994 1 10 . 1 1 63 63 ASP H H 64 8.518 8.518 8.380 0.138 18234 1995 1 10 . 1 1 65 65 LEU N N 66 121.870 121.870 123.030 -1.160 18234 1996 1 10 . 1 1 65 65 LEU H H 66 7.733 7.733 8.449 -0.716 18234 1997 1 10 . 1 1 66 66 GLU N N 67 119.470 119.470 124.458 -4.988 18234 1998 1 10 . 1 1 66 66 GLU H H 67 8.085 8.085 8.214 -0.129 18234 1999 1 10 . 1 1 67 67 LEU N N 68 123.910 123.910 118.958 4.952 18234 2000 1 10 . 1 1 67 67 LEU H H 68 8.299 8.299 8.039 0.260 18234 2001 1 10 . 1 1 68 68 LEU N N 69 120.640 120.640 121.060 -0.420 18234 2002 1 10 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 2003 1 10 . 1 1 69 69 LYS N N 70 116.080 116.080 120.171 -4.091 18234 2004 1 10 . 1 1 69 69 LYS H H 70 8.400 8.400 8.502 -0.102 18234 2005 1 10 . 1 1 70 70 THR N N 71 117.490 117.490 114.124 3.366 18234 2006 1 10 . 1 1 70 70 THR H H 71 8.028 8.028 7.730 0.298 18234 2007 1 10 . 1 1 71 71 ILE N N 72 123.640 123.640 120.365 3.275 18234 2008 1 10 . 1 1 71 71 ILE H H 72 8.459 8.459 7.501 0.958 18234 2009 1 10 . 1 1 72 72 ARG N N 73 113.350 113.350 118.795 -5.445 18234 2010 1 10 . 1 1 72 72 ARG H H 73 8.112 8.112 8.358 -0.246 18234 2011 1 10 . 1 1 73 73 ALA N N 74 118.900 118.900 122.505 -3.605 18234 2012 1 10 . 1 1 73 73 ALA H H 74 7.286 7.286 8.243 -0.957 18234 2013 1 10 . 1 1 74 74 ASP N N 75 121.870 121.870 120.605 1.265 18234 2014 1 10 . 1 1 74 74 ASP H H 75 7.399 7.399 7.811 -0.412 18234 2015 1 10 . 1 1 75 75 GLY N N 76 112.230 112.230 106.755 5.475 18234 2016 1 10 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 2017 1 10 . 1 1 76 76 ALA N N 77 121.970 121.970 119.495 2.475 18234 2018 1 10 . 1 1 76 76 ALA H H 77 8.558 8.558 7.805 0.753 18234 2019 1 10 . 1 1 77 77 MET N N 78 116.180 116.180 117.352 -1.172 18234 2020 1 10 . 1 1 77 77 MET H H 78 8.477 8.477 8.074 0.403 18234 2021 1 10 . 1 1 78 78 SER N N 79 112.910 112.910 113.960 -1.050 18234 2022 1 10 . 1 1 78 78 SER H H 79 7.436 7.436 7.467 -0.031 18234 2023 1 10 . 1 1 79 79 ALA N N 80 123.080 123.080 121.770 1.310 18234 2024 1 10 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 2025 1 10 . 1 1 80 80 LEU N N 81 124.130 124.130 120.490 3.640 18234 2026 1 10 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 2027 1 10 . 1 1 82 82 VAL N N 83 118.860 118.860 123.991 -5.131 18234 2028 1 10 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 2029 1 10 . 1 1 83 83 LEU N N 84 130.450 130.450 115.498 14.952 18234 2030 1 10 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 2031 1 10 . 1 1 84 84 MET N N 85 124.080 124.080 113.604 10.476 18234 2032 1 10 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 2033 1 10 . 1 1 85 85 VAL N N 86 124.810 124.810 122.640 2.170 18234 2034 1 10 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 2035 1 10 . 1 1 86 86 THR N N 87 116.560 116.560 114.526 2.034 18234 2036 1 10 . 1 1 86 86 THR H H 87 8.715 8.715 8.635 0.080 18234 2037 1 10 . 1 1 87 87 ALA N N 88 125.460 125.460 122.458 3.002 18234 2038 1 10 . 1 1 87 87 ALA H H 88 8.807 8.807 7.726 1.081 18234 2039 1 10 . 1 1 89 89 ALA N N 90 129.990 129.990 123.939 6.051 18234 2040 1 10 . 1 1 89 89 ALA H H 90 9.090 9.090 7.748 1.342 18234 2041 1 10 . 1 1 90 90 LYS N N 91 121.030 121.030 118.968 2.062 18234 2042 1 10 . 1 1 90 90 LYS H H 91 7.197 7.197 7.978 -0.781 18234 2043 1 10 . 1 1 92 92 GLU N N 93 116.280 116.280 119.466 -3.186 18234 2044 1 10 . 1 1 92 92 GLU H H 93 9.648 9.648 8.385 1.263 18234 2045 1 10 . 1 1 93 93 ASN N N 94 117.030 117.030 120.777 -3.747 18234 2046 1 10 . 1 1 93 93 ASN H H 94 7.116 7.116 8.357 -1.241 18234 2047 1 10 . 1 1 94 94 ILE N N 95 121.110 121.110 122.393 -1.283 18234 2048 1 10 . 1 1 94 94 ILE H H 95 7.546 7.546 8.137 -0.591 18234 2049 1 10 . 1 1 95 95 ILE N N 96 117.160 117.160 120.357 -3.197 18234 2050 1 10 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 2051 1 10 . 1 1 96 96 ALA N N 97 120.060 120.060 122.316 -2.256 18234 2052 1 10 . 1 1 96 96 ALA H H 97 7.541 7.541 8.009 -0.468 18234 2053 1 10 . 1 1 97 97 ALA N N 98 119.150 119.150 122.952 -3.802 18234 2054 1 10 . 1 1 97 97 ALA H H 98 8.524 8.524 8.254 0.270 18234 2055 1 10 . 1 1 99 99 GLN N N 100 118.210 118.210 119.240 -1.030 18234 2056 1 10 . 1 1 99 99 GLN H H 100 8.974 8.974 7.658 1.316 18234 2057 1 10 . 1 1 100 100 ALA N N 101 117.990 117.990 122.136 -4.146 18234 2058 1 10 . 1 1 100 100 ALA H H 101 7.624 7.624 7.844 -0.220 18234 2059 1 10 . 1 1 102 102 ALA N N 103 123.640 123.640 120.584 3.056 18234 2060 1 10 . 1 1 102 102 ALA H H 103 8.726 8.726 8.109 0.617 18234 2061 1 10 . 1 1 103 103 SER N N 104 115.000 115.000 115.211 -0.211 18234 2062 1 10 . 1 1 103 103 SER H H 104 9.114 9.114 7.553 1.561 18234 2063 1 10 . 1 1 104 104 GLY N N 105 125.250 125.250 107.253 17.997 18234 2064 1 10 . 1 1 104 104 GLY H H 105 7.442 7.442 7.621 -0.179 18234 2065 1 10 . 1 1 105 105 TYR N N 106 118.860 118.860 118.262 0.598 18234 2066 1 10 . 1 1 105 105 TYR H H 106 8.524 8.524 7.988 0.536 18234 2067 1 10 . 1 1 107 107 VAL N N 108 127.360 127.360 117.000 10.360 18234 2068 1 10 . 1 1 107 107 VAL H H 108 8.089 8.089 8.036 0.053 18234 2069 1 10 . 1 1 108 108 LYS N N 109 123.480 123.480 120.015 3.465 18234 2070 1 10 . 1 1 108 108 LYS H H 109 8.376 8.376 7.703 0.673 18234 2071 1 10 . 1 1 111 111 THR N N 112 130.470 130.470 113.494 16.976 18234 2072 1 10 . 1 1 111 111 THR H H 112 7.916 7.916 8.297 -0.381 18234 2073 1 10 . 1 1 112 112 ALA N N 113 122.650 122.650 129.516 -6.866 18234 2074 1 10 . 1 1 112 112 ALA H H 113 9.188 9.188 8.765 0.423 18234 2075 1 10 . 1 1 113 113 ALA N N 114 118.690 118.690 121.424 -2.734 18234 2076 1 10 . 1 1 113 113 ALA H H 114 8.212 8.212 8.228 -0.016 18234 2077 1 10 . 1 1 115 115 LEU N N 116 121.770 121.770 125.149 -3.379 18234 2078 1 10 . 1 1 115 115 LEU H H 116 8.235 8.235 7.972 0.263 18234 2079 1 10 . 1 1 116 116 GLU N N 117 119.060 119.060 118.786 0.274 18234 2080 1 10 . 1 1 116 116 GLU H H 117 8.857 8.857 8.177 0.680 18234 2081 1 10 . 1 1 117 117 GLU N N 118 117.750 117.750 121.490 -3.740 18234 2082 1 10 . 1 1 117 117 GLU H H 118 7.670 7.670 8.406 -0.736 18234 2083 1 10 . 1 1 119 119 LEU N N 120 118.400 118.400 120.767 -2.367 18234 2084 1 10 . 1 1 119 119 LEU H H 120 8.543 8.543 7.940 0.603 18234 2085 1 10 . 1 1 120 120 ASN N N 121 115.130 115.130 118.588 -3.458 18234 2086 1 10 . 1 1 120 120 ASN H H 121 8.605 8.605 8.007 0.598 18234 2087 1 10 . 1 1 121 121 LYS N N 122 119.730 119.730 120.561 -0.831 18234 2088 1 10 . 1 1 121 121 LYS H H 122 7.585 7.585 7.919 -0.334 18234 2089 1 10 . 1 1 122 122 ILE N N 123 120.980 120.980 117.718 3.262 18234 2090 1 10 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.770 18234 2091 1 10 . 1 1 123 123 PHE N N 124 117.660 117.660 117.057 0.603 18234 2092 1 10 . 1 1 123 123 PHE H H 124 9.111 9.111 8.189 0.922 18234 2093 1 10 . 1 1 124 124 GLU N N 125 119.190 119.190 120.161 -0.971 18234 2094 1 10 . 1 1 124 124 GLU H H 125 8.330 8.330 7.852 0.478 18234 2095 1 10 . 1 1 125 125 LYS N N 126 121.310 121.310 121.022 0.288 18234 2096 1 10 . 1 1 125 125 LYS H H 126 8.317 8.317 8.089 0.228 18234 2097 1 10 . 1 1 127 127 GLY N N 128 110.530 110.530 106.633 3.897 18234 2098 1 10 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 2099 1 10 . 1 1 128 128 MET N N 129 124.430 124.430 118.160 6.270 18234 2100 1 10 . 1 1 128 128 MET H H 129 8.432 8.432 8.188 0.244 18234 2101 1 11 . 1 1 2 2 ASP N N 3 121.390 121.390 124.436 -3.046 18234 2102 1 11 . 1 1 2 2 ASP H H 3 8.589 8.589 8.602 -0.013 18234 2103 1 11 . 1 1 3 3 LYS N N 4 122.470 122.470 120.029 2.441 18234 2104 1 11 . 1 1 3 3 LYS H H 4 8.529 8.529 7.997 0.532 18234 2105 1 11 . 1 1 4 4 GLU N N 5 119.020 119.020 112.925 6.095 18234 2106 1 11 . 1 1 4 4 GLU H H 5 8.702 8.702 7.975 0.727 18234 2107 1 11 . 1 1 5 5 LEU N N 6 124.230 124.230 117.912 6.318 18234 2108 1 11 . 1 1 5 5 LEU H H 6 7.530 7.530 6.987 0.543 18234 2109 1 11 . 1 1 6 6 LYS N N 7 126.090 126.090 121.444 4.646 18234 2110 1 11 . 1 1 6 6 LYS H H 7 8.486 8.486 7.943 0.543 18234 2111 1 11 . 1 1 7 7 PHE N N 8 128.540 128.540 112.744 15.796 18234 2112 1 11 . 1 1 7 7 PHE H H 8 9.206 9.206 6.990 2.216 18234 2113 1 11 . 1 1 8 8 LEU N N 9 121.920 121.920 121.682 0.238 18234 2114 1 11 . 1 1 8 8 LEU H H 9 8.827 8.827 7.574 1.253 18234 2115 1 11 . 1 1 9 9 VAL N N 10 127.280 127.280 119.338 7.942 18234 2116 1 11 . 1 1 9 9 VAL H H 10 8.983 8.983 8.866 0.117 18234 2117 1 11 . 1 1 10 10 VAL N N 11 127.250 127.250 120.677 6.573 18234 2118 1 11 . 1 1 10 10 VAL H H 11 9.251 9.251 8.527 0.724 18234 2119 1 11 . 1 1 11 11 ASP N N 12 123.770 123.770 124.901 -1.131 18234 2120 1 11 . 1 1 11 11 ASP H H 12 8.144 8.144 7.875 0.269 18234 2121 1 11 . 1 1 12 12 ASP N N 13 124.940 124.940 118.659 6.281 18234 2122 1 11 . 1 1 12 12 ASP H H 13 9.709 9.709 9.136 0.573 18234 2123 1 11 . 1 1 14 14 SER N N 15 126.800 126.800 115.574 11.226 18234 2124 1 11 . 1 1 14 14 SER H H 15 9.493 9.493 8.084 1.409 18234 2125 1 11 . 1 1 15 15 THR N N 16 116.700 116.700 114.350 2.350 18234 2126 1 11 . 1 1 15 15 THR H H 16 7.372 7.372 8.546 -1.174 18234 2127 1 11 . 1 1 16 16 MET N N 17 119.000 119.000 118.094 0.906 18234 2128 1 11 . 1 1 16 16 MET H H 17 6.326 6.326 7.854 -1.528 18234 2129 1 11 . 1 1 17 17 ARG N N 18 116.670 116.670 119.931 -3.261 18234 2130 1 11 . 1 1 17 17 ARG H H 18 7.515 7.515 7.755 -0.240 18234 2131 1 11 . 1 1 18 18 ARG N N 19 116.980 116.980 119.429 -2.449 18234 2132 1 11 . 1 1 18 18 ARG H H 19 7.638 7.638 8.577 -0.939 18234 2133 1 11 . 1 1 19 19 ILE N N 20 120.790 120.790 118.740 2.050 18234 2134 1 11 . 1 1 19 19 ILE H H 20 7.789 7.789 8.273 -0.484 18234 2135 1 11 . 1 1 20 20 VAL N N 21 119.340 119.340 120.119 -0.779 18234 2136 1 11 . 1 1 20 20 VAL H H 21 8.389 8.389 8.075 0.314 18234 2137 1 11 . 1 1 21 21 ARG N N 22 119.430 119.430 119.316 0.114 18234 2138 1 11 . 1 1 21 21 ARG H H 22 8.622 8.622 8.081 0.541 18234 2139 1 11 . 1 1 23 23 LEU N N 24 123.390 123.390 120.562 2.828 18234 2140 1 11 . 1 1 23 23 LEU H H 24 8.490 8.490 7.983 0.507 18234 2141 1 11 . 1 1 25 25 LYS N N 26 120.620 120.620 120.809 -0.189 18234 2142 1 11 . 1 1 25 25 LYS H H 26 7.932 7.932 8.009 -0.077 18234 2143 1 11 . 1 1 26 26 GLU N N 27 122.290 122.290 118.891 3.399 18234 2144 1 11 . 1 1 26 26 GLU H H 27 7.985 7.985 8.464 -0.479 18234 2145 1 11 . 1 1 27 27 LEU N N 28 117.210 117.210 117.150 0.060 18234 2146 1 11 . 1 1 27 27 LEU H H 28 7.431 7.431 8.153 -0.722 18234 2147 1 11 . 1 1 28 28 GLY N N 29 128.170 128.170 104.359 23.811 18234 2148 1 11 . 1 1 28 28 GLY H H 29 7.735 7.735 7.643 0.092 18234 2149 1 11 . 1 1 29 29 PHE N N 30 121.140 121.140 120.168 0.972 18234 2150 1 11 . 1 1 29 29 PHE H H 30 8.188 8.188 7.429 0.759 18234 2151 1 11 . 1 1 30 30 ASN N N 31 118.220 118.220 122.981 -4.761 18234 2152 1 11 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 2153 1 11 . 1 1 32 32 VAL N N 33 122.030 122.030 114.902 7.128 18234 2154 1 11 . 1 1 32 32 VAL H H 33 7.522 7.522 8.721 -1.199 18234 2155 1 11 . 1 1 33 33 GLU N N 34 126.880 126.880 119.518 7.362 18234 2156 1 11 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 2157 1 11 . 1 1 35 35 ALA N N 36 120.500 120.500 126.148 -5.648 18234 2158 1 11 . 1 1 35 35 ALA H H 36 8.878 8.878 8.080 0.798 18234 2159 1 11 . 1 1 36 36 GLU N N 37 117.420 117.420 127.590 -10.170 18234 2160 1 11 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 2161 1 11 . 1 1 37 37 ASP N N 38 131.500 131.500 117.410 14.090 18234 2162 1 11 . 1 1 37 37 ASP H H 38 7.450 7.450 8.098 -0.648 18234 2163 1 11 . 1 1 38 38 GLY N N 39 124.390 124.390 107.826 16.564 18234 2164 1 11 . 1 1 38 38 GLY H H 39 8.148 8.148 7.782 0.366 18234 2165 1 11 . 1 1 39 39 VAL N N 40 122.620 122.620 120.031 2.589 18234 2166 1 11 . 1 1 39 39 VAL H H 40 7.962 7.962 8.129 -0.167 18234 2167 1 11 . 1 1 40 40 ASP N N 41 121.110 121.110 118.838 2.272 18234 2168 1 11 . 1 1 40 40 ASP H H 41 8.518 8.518 8.343 0.175 18234 2169 1 11 . 1 1 41 41 ALA N N 42 116.970 116.970 122.739 -5.769 18234 2170 1 11 . 1 1 41 41 ALA H H 42 8.337 8.337 7.343 0.994 18234 2171 1 11 . 1 1 42 42 LEU N N 43 118.280 118.280 120.036 -1.756 18234 2172 1 11 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 2173 1 11 . 1 1 45 45 LEU N N 46 118.530 118.530 120.540 -2.010 18234 2174 1 11 . 1 1 45 45 LEU H H 46 8.748 8.748 8.100 0.648 18234 2175 1 11 . 1 1 46 46 GLN N N 47 116.820 116.820 118.620 -1.800 18234 2176 1 11 . 1 1 46 46 GLN H H 47 7.865 7.865 8.061 -0.196 18234 2177 1 11 . 1 1 47 47 ALA N N 48 120.460 120.460 122.731 -2.271 18234 2178 1 11 . 1 1 47 47 ALA H H 48 7.611 7.611 8.265 -0.654 18234 2179 1 11 . 1 1 48 48 GLY N N 49 126.280 126.280 108.640 17.640 18234 2180 1 11 . 1 1 48 48 GLY H H 49 7.574 7.574 8.178 -0.604 18234 2181 1 11 . 1 1 49 49 GLY N N 50 125.810 125.810 111.239 14.571 18234 2182 1 11 . 1 1 49 49 GLY H H 50 8.367 8.367 8.493 -0.126 18234 2183 1 11 . 1 1 50 50 TYR N N 51 118.740 118.740 121.035 -2.295 18234 2184 1 11 . 1 1 50 50 TYR H H 51 8.126 8.126 8.299 -0.173 18234 2185 1 11 . 1 1 51 51 GLY N N 52 128.900 128.900 105.874 23.026 18234 2186 1 11 . 1 1 51 51 GLY H H 52 9.556 9.556 7.901 1.655 18234 2187 1 11 . 1 1 52 52 PHE N N 53 121.380 121.380 120.544 0.836 18234 2188 1 11 . 1 1 52 52 PHE H H 53 7.527 7.527 7.952 -0.425 18234 2189 1 11 . 1 1 53 53 VAL N N 54 127.150 127.150 121.250 5.900 18234 2190 1 11 . 1 1 53 53 VAL H H 54 8.246 8.246 8.106 0.140 18234 2191 1 11 . 1 1 54 54 ILE N N 55 128.130 128.130 118.734 9.396 18234 2192 1 11 . 1 1 54 54 ILE H H 55 9.235 9.235 8.140 1.095 18234 2193 1 11 . 1 1 55 55 SER N N 56 118.200 118.200 119.360 -1.160 18234 2194 1 11 . 1 1 55 55 SER H H 56 8.678 8.678 7.789 0.889 18234 2195 1 11 . 1 1 56 56 ASP N N 57 127.290 127.290 116.846 10.444 18234 2196 1 11 . 1 1 56 56 ASP H H 57 8.412 8.412 7.097 1.315 18234 2197 1 11 . 1 1 58 58 ASN N N 59 116.980 116.980 120.214 -3.234 18234 2198 1 11 . 1 1 58 58 ASN H H 59 8.716 8.716 8.007 0.709 18234 2199 1 11 . 1 1 61 61 ASN N N 62 112.140 112.140 116.952 -4.812 18234 2200 1 11 . 1 1 61 61 ASN H H 62 8.598 8.598 7.759 0.839 18234 2201 1 11 . 1 1 62 62 MET N N 63 122.950 122.950 119.577 3.373 18234 2202 1 11 . 1 1 62 62 MET H H 63 9.192 9.192 8.498 0.694 18234 2203 1 11 . 1 1 63 63 ASP N N 64 126.540 126.540 119.660 6.880 18234 2204 1 11 . 1 1 63 63 ASP H H 64 8.518 8.518 8.263 0.255 18234 2205 1 11 . 1 1 65 65 LEU N N 66 121.870 121.870 122.524 -0.654 18234 2206 1 11 . 1 1 65 65 LEU H H 66 7.733 7.733 8.480 -0.747 18234 2207 1 11 . 1 1 66 66 GLU N N 67 119.470 119.470 124.452 -4.982 18234 2208 1 11 . 1 1 66 66 GLU H H 67 8.085 8.085 8.204 -0.119 18234 2209 1 11 . 1 1 67 67 LEU N N 68 123.910 123.910 118.946 4.964 18234 2210 1 11 . 1 1 67 67 LEU H H 68 8.299 8.299 8.030 0.269 18234 2211 1 11 . 1 1 68 68 LEU N N 69 120.640 120.640 121.046 -0.406 18234 2212 1 11 . 1 1 68 68 LEU H H 69 8.249 8.249 7.670 0.579 18234 2213 1 11 . 1 1 69 69 LYS N N 70 116.080 116.080 120.305 -4.225 18234 2214 1 11 . 1 1 69 69 LYS H H 70 8.400 8.400 8.525 -0.125 18234 2215 1 11 . 1 1 70 70 THR N N 71 117.490 117.490 113.935 3.555 18234 2216 1 11 . 1 1 70 70 THR H H 71 8.028 8.028 7.735 0.293 18234 2217 1 11 . 1 1 71 71 ILE N N 72 123.640 123.640 120.531 3.109 18234 2218 1 11 . 1 1 71 71 ILE H H 72 8.459 8.459 7.517 0.942 18234 2219 1 11 . 1 1 72 72 ARG N N 73 113.350 113.350 118.808 -5.458 18234 2220 1 11 . 1 1 72 72 ARG H H 73 8.112 8.112 8.358 -0.246 18234 2221 1 11 . 1 1 73 73 ALA N N 74 118.900 118.900 122.500 -3.600 18234 2222 1 11 . 1 1 73 73 ALA H H 74 7.286 7.286 8.235 -0.949 18234 2223 1 11 . 1 1 74 74 ASP N N 75 121.870 121.870 120.574 1.296 18234 2224 1 11 . 1 1 74 74 ASP H H 75 7.399 7.399 7.804 -0.405 18234 2225 1 11 . 1 1 75 75 GLY N N 76 112.230 112.230 106.762 5.468 18234 2226 1 11 . 1 1 75 75 GLY H H 76 8.728 8.728 8.213 0.515 18234 2227 1 11 . 1 1 76 76 ALA N N 77 121.970 121.970 118.699 3.271 18234 2228 1 11 . 1 1 76 76 ALA H H 77 8.558 8.558 7.805 0.753 18234 2229 1 11 . 1 1 77 77 MET N N 78 116.180 116.180 117.340 -1.160 18234 2230 1 11 . 1 1 77 77 MET H H 78 8.477 8.477 8.077 0.400 18234 2231 1 11 . 1 1 78 78 SER N N 79 112.910 112.910 113.944 -1.034 18234 2232 1 11 . 1 1 78 78 SER H H 79 7.436 7.436 7.464 -0.028 18234 2233 1 11 . 1 1 79 79 ALA N N 80 123.080 123.080 121.784 1.296 18234 2234 1 11 . 1 1 79 79 ALA H H 80 8.246 8.246 8.045 0.201 18234 2235 1 11 . 1 1 80 80 LEU N N 81 124.130 124.130 120.469 3.661 18234 2236 1 11 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 2237 1 11 . 1 1 82 82 VAL N N 83 118.860 118.860 123.967 -5.107 18234 2238 1 11 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 2239 1 11 . 1 1 83 83 LEU N N 84 130.450 130.450 115.490 14.960 18234 2240 1 11 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.208 18234 2241 1 11 . 1 1 84 84 MET N N 85 124.080 124.080 113.605 10.475 18234 2242 1 11 . 1 1 84 84 MET H H 85 7.855 7.855 8.543 -0.688 18234 2243 1 11 . 1 1 85 85 VAL N N 86 124.810 124.810 122.647 2.163 18234 2244 1 11 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 2245 1 11 . 1 1 86 86 THR N N 87 116.560 116.560 114.519 2.041 18234 2246 1 11 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 2247 1 11 . 1 1 87 87 ALA N N 88 125.460 125.460 122.456 3.004 18234 2248 1 11 . 1 1 87 87 ALA H H 88 8.807 8.807 7.724 1.083 18234 2249 1 11 . 1 1 89 89 ALA N N 90 129.990 129.990 123.939 6.051 18234 2250 1 11 . 1 1 89 89 ALA H H 90 9.090 9.090 7.752 1.338 18234 2251 1 11 . 1 1 90 90 LYS N N 91 121.030 121.030 118.962 2.068 18234 2252 1 11 . 1 1 90 90 LYS H H 91 7.197 7.197 7.979 -0.782 18234 2253 1 11 . 1 1 92 92 GLU N N 93 116.280 116.280 119.465 -3.185 18234 2254 1 11 . 1 1 92 92 GLU H H 93 9.648 9.648 8.386 1.262 18234 2255 1 11 . 1 1 93 93 ASN N N 94 117.030 117.030 120.813 -3.783 18234 2256 1 11 . 1 1 93 93 ASN H H 94 7.116 7.116 8.378 -1.262 18234 2257 1 11 . 1 1 94 94 ILE N N 95 121.110 121.110 122.377 -1.267 18234 2258 1 11 . 1 1 94 94 ILE H H 95 7.546 7.546 8.132 -0.586 18234 2259 1 11 . 1 1 95 95 ILE N N 96 117.160 117.160 120.368 -3.208 18234 2260 1 11 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 2261 1 11 . 1 1 96 96 ALA N N 97 120.060 120.060 122.304 -2.244 18234 2262 1 11 . 1 1 96 96 ALA H H 97 7.541 7.541 8.007 -0.466 18234 2263 1 11 . 1 1 97 97 ALA N N 98 119.150 119.150 122.965 -3.815 18234 2264 1 11 . 1 1 97 97 ALA H H 98 8.524 8.524 8.254 0.270 18234 2265 1 11 . 1 1 99 99 GLN N N 100 118.210 118.210 119.255 -1.045 18234 2266 1 11 . 1 1 99 99 GLN H H 100 8.974 8.974 7.669 1.305 18234 2267 1 11 . 1 1 100 100 ALA N N 101 117.990 117.990 122.149 -4.159 18234 2268 1 11 . 1 1 100 100 ALA H H 101 7.624 7.624 7.856 -0.232 18234 2269 1 11 . 1 1 102 102 ALA N N 103 123.640 123.640 120.696 2.944 18234 2270 1 11 . 1 1 102 102 ALA H H 103 8.726 8.726 8.181 0.545 18234 2271 1 11 . 1 1 103 103 SER N N 104 115.000 115.000 115.288 -0.288 18234 2272 1 11 . 1 1 103 103 SER H H 104 9.114 9.114 7.618 1.496 18234 2273 1 11 . 1 1 104 104 GLY N N 105 125.250 125.250 107.359 17.891 18234 2274 1 11 . 1 1 104 104 GLY H H 105 7.442 7.442 7.731 -0.289 18234 2275 1 11 . 1 1 105 105 TYR N N 106 118.860 118.860 118.476 0.384 18234 2276 1 11 . 1 1 105 105 TYR H H 106 8.524 8.524 8.305 0.219 18234 2277 1 11 . 1 1 107 107 VAL N N 108 127.360 127.360 116.962 10.398 18234 2278 1 11 . 1 1 107 107 VAL H H 108 8.089 8.089 7.997 0.092 18234 2279 1 11 . 1 1 108 108 LYS N N 109 123.480 123.480 120.015 3.465 18234 2280 1 11 . 1 1 108 108 LYS H H 109 8.376 8.376 7.704 0.672 18234 2281 1 11 . 1 1 111 111 THR N N 112 130.470 130.470 113.500 16.970 18234 2282 1 11 . 1 1 111 111 THR H H 112 7.916 7.916 8.306 -0.390 18234 2283 1 11 . 1 1 112 112 ALA N N 113 122.650 122.650 129.508 -6.858 18234 2284 1 11 . 1 1 112 112 ALA H H 113 9.188 9.188 8.769 0.419 18234 2285 1 11 . 1 1 113 113 ALA N N 114 118.690 118.690 121.422 -2.732 18234 2286 1 11 . 1 1 113 113 ALA H H 114 8.212 8.212 8.229 -0.017 18234 2287 1 11 . 1 1 115 115 LEU N N 116 121.770 121.770 124.741 -2.971 18234 2288 1 11 . 1 1 115 115 LEU H H 116 8.235 8.235 7.947 0.288 18234 2289 1 11 . 1 1 116 116 GLU N N 117 119.060 119.060 118.775 0.285 18234 2290 1 11 . 1 1 116 116 GLU H H 117 8.857 8.857 8.176 0.681 18234 2291 1 11 . 1 1 117 117 GLU N N 118 117.750 117.750 121.496 -3.746 18234 2292 1 11 . 1 1 117 117 GLU H H 118 7.670 7.670 8.403 -0.733 18234 2293 1 11 . 1 1 119 119 LEU N N 120 118.400 118.400 120.767 -2.367 18234 2294 1 11 . 1 1 119 119 LEU H H 120 8.543 8.543 7.939 0.604 18234 2295 1 11 . 1 1 120 120 ASN N N 121 115.130 115.130 118.592 -3.462 18234 2296 1 11 . 1 1 120 120 ASN H H 121 8.605 8.605 8.010 0.595 18234 2297 1 11 . 1 1 121 121 LYS N N 122 119.730 119.730 120.564 -0.834 18234 2298 1 11 . 1 1 121 121 LYS H H 122 7.585 7.585 7.916 -0.331 18234 2299 1 11 . 1 1 122 122 ILE N N 123 120.980 120.980 117.714 3.266 18234 2300 1 11 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.770 18234 2301 1 11 . 1 1 123 123 PHE N N 124 117.660 117.660 117.046 0.614 18234 2302 1 11 . 1 1 123 123 PHE H H 124 9.111 9.111 8.200 0.911 18234 2303 1 11 . 1 1 124 124 GLU N N 125 119.190 119.190 120.156 -0.966 18234 2304 1 11 . 1 1 124 124 GLU H H 125 8.330 8.330 7.855 0.475 18234 2305 1 11 . 1 1 125 125 LYS N N 126 121.310 121.310 121.038 0.272 18234 2306 1 11 . 1 1 125 125 LYS H H 126 8.317 8.317 8.082 0.235 18234 2307 1 11 . 1 1 127 127 GLY N N 128 110.530 110.530 106.623 3.907 18234 2308 1 11 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 2309 1 11 . 1 1 128 128 MET N N 129 124.430 124.430 118.075 6.355 18234 2310 1 11 . 1 1 128 128 MET H H 129 8.432 8.432 8.176 0.256 18234 2311 1 12 . 1 1 2 2 ASP N N 3 121.390 121.390 123.967 -2.577 18234 2312 1 12 . 1 1 2 2 ASP H H 3 8.589 8.589 8.570 0.019 18234 2313 1 12 . 1 1 3 3 LYS N N 4 122.470 122.470 116.727 5.743 18234 2314 1 12 . 1 1 3 3 LYS H H 4 8.529 8.529 8.497 0.032 18234 2315 1 12 . 1 1 4 4 GLU N N 5 119.020 119.020 109.471 9.549 18234 2316 1 12 . 1 1 4 4 GLU H H 5 8.702 8.702 7.780 0.922 18234 2317 1 12 . 1 1 5 5 LEU N N 6 124.230 124.230 124.020 0.210 18234 2318 1 12 . 1 1 5 5 LEU H H 6 7.530 7.530 8.059 -0.529 18234 2319 1 12 . 1 1 6 6 LYS N N 7 126.090 126.090 125.364 0.726 18234 2320 1 12 . 1 1 6 6 LYS H H 7 8.486 8.486 7.632 0.854 18234 2321 1 12 . 1 1 7 7 PHE N N 8 128.540 128.540 118.066 10.474 18234 2322 1 12 . 1 1 7 7 PHE H H 8 9.206 9.206 6.846 2.360 18234 2323 1 12 . 1 1 8 8 LEU N N 9 121.920 121.920 121.270 0.650 18234 2324 1 12 . 1 1 8 8 LEU H H 9 8.827 8.827 7.801 1.026 18234 2325 1 12 . 1 1 9 9 VAL N N 10 127.280 127.280 118.973 8.307 18234 2326 1 12 . 1 1 9 9 VAL H H 10 8.983 8.983 8.739 0.244 18234 2327 1 12 . 1 1 10 10 VAL N N 11 127.250 127.250 120.138 7.112 18234 2328 1 12 . 1 1 10 10 VAL H H 11 9.251 9.251 8.429 0.822 18234 2329 1 12 . 1 1 11 11 ASP N N 12 123.770 123.770 123.830 -0.060 18234 2330 1 12 . 1 1 11 11 ASP H H 12 8.144 8.144 7.700 0.444 18234 2331 1 12 . 1 1 12 12 ASP N N 13 124.940 124.940 119.120 5.820 18234 2332 1 12 . 1 1 12 12 ASP H H 13 9.709 9.709 8.122 1.587 18234 2333 1 12 . 1 1 14 14 SER N N 15 126.800 126.800 115.695 11.105 18234 2334 1 12 . 1 1 14 14 SER H H 15 9.493 9.493 8.067 1.426 18234 2335 1 12 . 1 1 15 15 THR N N 16 116.700 116.700 114.563 2.137 18234 2336 1 12 . 1 1 15 15 THR H H 16 7.372 7.372 8.811 -1.439 18234 2337 1 12 . 1 1 16 16 MET N N 17 119.000 119.000 118.140 0.860 18234 2338 1 12 . 1 1 16 16 MET H H 17 6.326 6.326 7.891 -1.565 18234 2339 1 12 . 1 1 17 17 ARG N N 18 116.670 116.670 119.955 -3.285 18234 2340 1 12 . 1 1 17 17 ARG H H 18 7.515 7.515 7.779 -0.264 18234 2341 1 12 . 1 1 18 18 ARG N N 19 116.980 116.980 119.460 -2.480 18234 2342 1 12 . 1 1 18 18 ARG H H 19 7.638 7.638 8.623 -0.985 18234 2343 1 12 . 1 1 19 19 ILE N N 20 120.790 120.790 118.786 2.004 18234 2344 1 12 . 1 1 19 19 ILE H H 20 7.789 7.789 8.310 -0.521 18234 2345 1 12 . 1 1 20 20 VAL N N 21 119.340 119.340 120.133 -0.793 18234 2346 1 12 . 1 1 20 20 VAL H H 21 8.389 8.389 8.092 0.297 18234 2347 1 12 . 1 1 21 21 ARG N N 22 119.430 119.430 119.325 0.105 18234 2348 1 12 . 1 1 21 21 ARG H H 22 8.622 8.622 8.091 0.531 18234 2349 1 12 . 1 1 23 23 LEU N N 24 123.390 123.390 120.559 2.831 18234 2350 1 12 . 1 1 23 23 LEU H H 24 8.490 8.490 7.995 0.495 18234 2351 1 12 . 1 1 25 25 LYS N N 26 120.620 120.620 120.102 0.518 18234 2352 1 12 . 1 1 25 25 LYS H H 26 7.932 7.932 7.961 -0.029 18234 2353 1 12 . 1 1 26 26 GLU N N 27 122.290 122.290 119.097 3.193 18234 2354 1 12 . 1 1 26 26 GLU H H 27 7.985 7.985 8.455 -0.470 18234 2355 1 12 . 1 1 27 27 LEU N N 28 117.210 117.210 117.126 0.084 18234 2356 1 12 . 1 1 27 27 LEU H H 28 7.431 7.431 8.156 -0.725 18234 2357 1 12 . 1 1 28 28 GLY N N 29 128.170 128.170 104.340 23.830 18234 2358 1 12 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 2359 1 12 . 1 1 29 29 PHE N N 30 121.140 121.140 120.148 0.992 18234 2360 1 12 . 1 1 29 29 PHE H H 30 8.188 8.188 7.431 0.757 18234 2361 1 12 . 1 1 30 30 ASN N N 31 118.220 118.220 122.967 -4.747 18234 2362 1 12 . 1 1 30 30 ASN H H 31 8.305 8.305 8.606 -0.301 18234 2363 1 12 . 1 1 32 32 VAL N N 33 122.030 122.030 114.890 7.140 18234 2364 1 12 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 2365 1 12 . 1 1 33 33 GLU N N 34 126.880 126.880 119.522 7.358 18234 2366 1 12 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 2367 1 12 . 1 1 35 35 ALA N N 36 120.500 120.500 126.146 -5.646 18234 2368 1 12 . 1 1 35 35 ALA H H 36 8.878 8.878 8.079 0.798 18234 2369 1 12 . 1 1 36 36 GLU N N 37 117.420 117.420 127.601 -10.181 18234 2370 1 12 . 1 1 36 36 GLU H H 37 9.476 9.476 8.921 0.555 18234 2371 1 12 . 1 1 37 37 ASP N N 38 131.500 131.500 117.575 13.925 18234 2372 1 12 . 1 1 37 37 ASP H H 38 7.450 7.450 8.173 -0.723 18234 2373 1 12 . 1 1 38 38 GLY N N 39 124.390 124.390 108.081 16.309 18234 2374 1 12 . 1 1 38 38 GLY H H 39 8.148 8.148 7.759 0.389 18234 2375 1 12 . 1 1 39 39 VAL N N 40 122.620 122.620 120.242 2.378 18234 2376 1 12 . 1 1 39 39 VAL H H 40 7.962 7.962 8.090 -0.128 18234 2377 1 12 . 1 1 40 40 ASP N N 41 121.110 121.110 118.792 2.318 18234 2378 1 12 . 1 1 40 40 ASP H H 41 8.518 8.518 8.269 0.249 18234 2379 1 12 . 1 1 41 41 ALA N N 42 116.970 116.970 122.733 -5.763 18234 2380 1 12 . 1 1 41 41 ALA H H 42 8.337 8.337 7.312 1.025 18234 2381 1 12 . 1 1 42 42 LEU N N 43 118.280 118.280 120.043 -1.763 18234 2382 1 12 . 1 1 42 42 LEU H H 43 8.121 8.121 7.506 0.615 18234 2383 1 12 . 1 1 45 45 LEU N N 46 118.530 118.530 120.406 -1.876 18234 2384 1 12 . 1 1 45 45 LEU H H 46 8.748 8.748 8.108 0.640 18234 2385 1 12 . 1 1 46 46 GLN N N 47 116.820 116.820 118.635 -1.815 18234 2386 1 12 . 1 1 46 46 GLN H H 47 7.865 7.865 8.070 -0.205 18234 2387 1 12 . 1 1 47 47 ALA N N 48 120.460 120.460 122.729 -2.269 18234 2388 1 12 . 1 1 47 47 ALA H H 48 7.611 7.611 8.267 -0.656 18234 2389 1 12 . 1 1 48 48 GLY N N 49 126.280 126.280 108.648 17.632 18234 2390 1 12 . 1 1 48 48 GLY H H 49 7.574 7.574 8.190 -0.616 18234 2391 1 12 . 1 1 49 49 GLY N N 50 125.810 125.810 111.100 14.710 18234 2392 1 12 . 1 1 49 49 GLY H H 50 8.367 8.367 8.498 -0.131 18234 2393 1 12 . 1 1 50 50 TYR N N 51 118.740 118.740 121.009 -2.269 18234 2394 1 12 . 1 1 50 50 TYR H H 51 8.126 8.126 8.279 -0.153 18234 2395 1 12 . 1 1 51 51 GLY N N 52 128.900 128.900 105.895 23.005 18234 2396 1 12 . 1 1 51 51 GLY H H 52 9.556 9.556 7.899 1.657 18234 2397 1 12 . 1 1 52 52 PHE N N 53 121.380 121.380 120.653 0.727 18234 2398 1 12 . 1 1 52 52 PHE H H 53 7.527 7.527 7.952 -0.425 18234 2399 1 12 . 1 1 53 53 VAL N N 54 127.150 127.150 121.474 5.676 18234 2400 1 12 . 1 1 53 53 VAL H H 54 8.246 8.246 8.162 0.084 18234 2401 1 12 . 1 1 54 54 ILE N N 55 128.130 128.130 118.618 9.512 18234 2402 1 12 . 1 1 54 54 ILE H H 55 9.235 9.235 8.187 1.048 18234 2403 1 12 . 1 1 55 55 SER N N 56 118.200 118.200 119.704 -1.504 18234 2404 1 12 . 1 1 55 55 SER H H 56 8.678 8.678 7.869 0.809 18234 2405 1 12 . 1 1 56 56 ASP N N 57 127.290 127.290 116.924 10.366 18234 2406 1 12 . 1 1 56 56 ASP H H 57 8.412 8.412 7.173 1.239 18234 2407 1 12 . 1 1 58 58 ASN N N 59 116.980 116.980 119.478 -2.498 18234 2408 1 12 . 1 1 58 58 ASN H H 59 8.716 8.716 8.182 0.534 18234 2409 1 12 . 1 1 61 61 ASN N N 62 112.140 112.140 118.934 -6.794 18234 2410 1 12 . 1 1 61 61 ASN H H 62 8.598 8.598 7.784 0.814 18234 2411 1 12 . 1 1 62 62 MET N N 63 122.950 122.950 119.427 3.523 18234 2412 1 12 . 1 1 62 62 MET H H 63 9.192 9.192 8.520 0.672 18234 2413 1 12 . 1 1 63 63 ASP N N 64 126.540 126.540 119.755 6.785 18234 2414 1 12 . 1 1 63 63 ASP H H 64 8.518 8.518 8.379 0.139 18234 2415 1 12 . 1 1 65 65 LEU N N 66 121.870 121.870 122.966 -1.096 18234 2416 1 12 . 1 1 65 65 LEU H H 66 7.733 7.733 8.408 -0.675 18234 2417 1 12 . 1 1 66 66 GLU N N 67 119.470 119.470 124.444 -4.974 18234 2418 1 12 . 1 1 66 66 GLU H H 67 8.085 8.085 8.195 -0.110 18234 2419 1 12 . 1 1 67 67 LEU N N 68 123.910 123.910 118.698 5.212 18234 2420 1 12 . 1 1 67 67 LEU H H 68 8.299 8.299 8.020 0.279 18234 2421 1 12 . 1 1 68 68 LEU N N 69 120.640 120.640 121.048 -0.408 18234 2422 1 12 . 1 1 68 68 LEU H H 69 8.249 8.249 7.670 0.579 18234 2423 1 12 . 1 1 69 69 LYS N N 70 116.080 116.080 120.210 -4.130 18234 2424 1 12 . 1 1 69 69 LYS H H 70 8.400 8.400 8.530 -0.130 18234 2425 1 12 . 1 1 70 70 THR N N 71 117.490 117.490 114.160 3.330 18234 2426 1 12 . 1 1 70 70 THR H H 71 8.028 8.028 7.762 0.266 18234 2427 1 12 . 1 1 71 71 ILE N N 72 123.640 123.640 120.618 3.022 18234 2428 1 12 . 1 1 71 71 ILE H H 72 8.459 8.459 7.497 0.962 18234 2429 1 12 . 1 1 72 72 ARG N N 73 113.350 113.350 118.815 -5.465 18234 2430 1 12 . 1 1 72 72 ARG H H 73 8.112 8.112 8.355 -0.243 18234 2431 1 12 . 1 1 73 73 ALA N N 74 118.900 118.900 122.499 -3.599 18234 2432 1 12 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 2433 1 12 . 1 1 74 74 ASP N N 75 121.870 121.870 120.587 1.283 18234 2434 1 12 . 1 1 74 74 ASP H H 75 7.399 7.399 7.806 -0.407 18234 2435 1 12 . 1 1 75 75 GLY N N 76 112.230 112.230 106.758 5.472 18234 2436 1 12 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 2437 1 12 . 1 1 76 76 ALA N N 77 121.970 121.970 119.486 2.484 18234 2438 1 12 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 2439 1 12 . 1 1 77 77 MET N N 78 116.180 116.180 117.350 -1.170 18234 2440 1 12 . 1 1 77 77 MET H H 78 8.477 8.477 8.079 0.398 18234 2441 1 12 . 1 1 78 78 SER N N 79 112.910 112.910 113.946 -1.036 18234 2442 1 12 . 1 1 78 78 SER H H 79 7.436 7.436 7.465 -0.029 18234 2443 1 12 . 1 1 79 79 ALA N N 80 123.080 123.080 121.781 1.299 18234 2444 1 12 . 1 1 79 79 ALA H H 80 8.246 8.246 8.049 0.197 18234 2445 1 12 . 1 1 80 80 LEU N N 81 124.130 124.130 120.472 3.658 18234 2446 1 12 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 2447 1 12 . 1 1 82 82 VAL N N 83 118.860 118.860 123.979 -5.119 18234 2448 1 12 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 2449 1 12 . 1 1 83 83 LEU N N 84 130.450 130.450 115.495 14.955 18234 2450 1 12 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 2451 1 12 . 1 1 84 84 MET N N 85 124.080 124.080 113.603 10.477 18234 2452 1 12 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 2453 1 12 . 1 1 85 85 VAL N N 86 124.810 124.810 122.642 2.168 18234 2454 1 12 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 2455 1 12 . 1 1 86 86 THR N N 87 116.560 116.560 114.522 2.038 18234 2456 1 12 . 1 1 86 86 THR H H 87 8.715 8.715 8.634 0.081 18234 2457 1 12 . 1 1 87 87 ALA N N 88 125.460 125.460 122.453 3.007 18234 2458 1 12 . 1 1 87 87 ALA H H 88 8.807 8.807 7.719 1.088 18234 2459 1 12 . 1 1 89 89 ALA N N 90 129.990 129.990 123.944 6.046 18234 2460 1 12 . 1 1 89 89 ALA H H 90 9.090 9.090 7.750 1.340 18234 2461 1 12 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 2462 1 12 . 1 1 90 90 LYS H H 91 7.197 7.197 7.976 -0.779 18234 2463 1 12 . 1 1 92 92 GLU N N 93 116.280 116.280 119.472 -3.192 18234 2464 1 12 . 1 1 92 92 GLU H H 93 9.648 9.648 8.389 1.259 18234 2465 1 12 . 1 1 93 93 ASN N N 94 117.030 117.030 120.806 -3.776 18234 2466 1 12 . 1 1 93 93 ASN H H 94 7.116 7.116 8.382 -1.266 18234 2467 1 12 . 1 1 94 94 ILE N N 95 121.110 121.110 122.394 -1.284 18234 2468 1 12 . 1 1 94 94 ILE H H 95 7.546 7.546 8.136 -0.590 18234 2469 1 12 . 1 1 95 95 ILE N N 96 117.160 117.160 120.362 -3.202 18234 2470 1 12 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 2471 1 12 . 1 1 96 96 ALA N N 97 120.060 120.060 122.303 -2.243 18234 2472 1 12 . 1 1 96 96 ALA H H 97 7.541 7.541 8.008 -0.467 18234 2473 1 12 . 1 1 97 97 ALA N N 98 119.150 119.150 122.955 -3.805 18234 2474 1 12 . 1 1 97 97 ALA H H 98 8.524 8.524 8.251 0.273 18234 2475 1 12 . 1 1 99 99 GLN N N 100 118.210 118.210 119.252 -1.042 18234 2476 1 12 . 1 1 99 99 GLN H H 100 8.974 8.974 7.667 1.307 18234 2477 1 12 . 1 1 100 100 ALA N N 101 117.990 117.990 122.135 -4.145 18234 2478 1 12 . 1 1 100 100 ALA H H 101 7.624 7.624 7.847 -0.223 18234 2479 1 12 . 1 1 102 102 ALA N N 103 123.640 123.640 120.666 2.974 18234 2480 1 12 . 1 1 102 102 ALA H H 103 8.726 8.726 8.159 0.567 18234 2481 1 12 . 1 1 103 103 SER N N 104 115.000 115.000 115.264 -0.264 18234 2482 1 12 . 1 1 103 103 SER H H 104 9.114 9.114 7.606 1.508 18234 2483 1 12 . 1 1 104 104 GLY N N 105 125.250 125.250 107.381 17.869 18234 2484 1 12 . 1 1 104 104 GLY H H 105 7.442 7.442 7.724 -0.282 18234 2485 1 12 . 1 1 105 105 TYR N N 106 118.860 118.860 118.464 0.396 18234 2486 1 12 . 1 1 105 105 TYR H H 106 8.524 8.524 8.243 0.281 18234 2487 1 12 . 1 1 107 107 VAL N N 108 127.360 127.360 117.000 10.360 18234 2488 1 12 . 1 1 107 107 VAL H H 108 8.089 8.089 8.069 0.020 18234 2489 1 12 . 1 1 108 108 LYS N N 109 123.480 123.480 120.058 3.422 18234 2490 1 12 . 1 1 108 108 LYS H H 109 8.376 8.376 7.749 0.627 18234 2491 1 12 . 1 1 111 111 THR N N 112 130.470 130.470 113.497 16.973 18234 2492 1 12 . 1 1 111 111 THR H H 112 7.916 7.916 8.306 -0.390 18234 2493 1 12 . 1 1 112 112 ALA N N 113 122.650 122.650 129.513 -6.863 18234 2494 1 12 . 1 1 112 112 ALA H H 113 9.188 9.188 8.770 0.418 18234 2495 1 12 . 1 1 113 113 ALA N N 114 118.690 118.690 121.414 -2.724 18234 2496 1 12 . 1 1 113 113 ALA H H 114 8.212 8.212 8.230 -0.018 18234 2497 1 12 . 1 1 115 115 LEU N N 116 121.770 121.770 125.127 -3.357 18234 2498 1 12 . 1 1 115 115 LEU H H 116 8.235 8.235 7.955 0.280 18234 2499 1 12 . 1 1 116 116 GLU N N 117 119.060 119.060 118.776 0.284 18234 2500 1 12 . 1 1 116 116 GLU H H 117 8.857 8.857 8.171 0.686 18234 2501 1 12 . 1 1 117 117 GLU N N 118 117.750 117.750 121.488 -3.738 18234 2502 1 12 . 1 1 117 117 GLU H H 118 7.670 7.670 8.399 -0.729 18234 2503 1 12 . 1 1 119 119 LEU N N 120 118.400 118.400 120.751 -2.351 18234 2504 1 12 . 1 1 119 119 LEU H H 120 8.543 8.543 7.937 0.606 18234 2505 1 12 . 1 1 120 120 ASN N N 121 115.130 115.130 118.601 -3.471 18234 2506 1 12 . 1 1 120 120 ASN H H 121 8.605 8.605 8.007 0.598 18234 2507 1 12 . 1 1 121 121 LYS N N 122 119.730 119.730 120.558 -0.828 18234 2508 1 12 . 1 1 121 121 LYS H H 122 7.585 7.585 7.916 -0.331 18234 2509 1 12 . 1 1 122 122 ILE N N 123 120.980 120.980 117.713 3.267 18234 2510 1 12 . 1 1 122 122 ILE H H 123 7.385 7.385 8.152 -0.767 18234 2511 1 12 . 1 1 123 123 PHE N N 124 117.660 117.660 117.043 0.617 18234 2512 1 12 . 1 1 123 123 PHE H H 124 9.111 9.111 8.199 0.912 18234 2513 1 12 . 1 1 124 124 GLU N N 125 119.190 119.190 120.161 -0.971 18234 2514 1 12 . 1 1 124 124 GLU H H 125 8.330 8.330 7.852 0.478 18234 2515 1 12 . 1 1 125 125 LYS N N 126 121.310 121.310 121.036 0.274 18234 2516 1 12 . 1 1 125 125 LYS H H 126 8.317 8.317 8.086 0.231 18234 2517 1 12 . 1 1 127 127 GLY N N 128 110.530 110.530 106.631 3.899 18234 2518 1 12 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 2519 1 12 . 1 1 128 128 MET N N 129 124.430 124.430 117.908 6.522 18234 2520 1 12 . 1 1 128 128 MET H H 129 8.432 8.432 8.155 0.277 18234 2521 1 13 . 1 1 2 2 ASP N N 3 121.390 121.390 122.117 -0.727 18234 2522 1 13 . 1 1 2 2 ASP H H 3 8.589 8.589 8.609 -0.020 18234 2523 1 13 . 1 1 3 3 LYS N N 4 122.470 122.470 116.318 6.152 18234 2524 1 13 . 1 1 3 3 LYS H H 4 8.529 8.529 8.441 0.088 18234 2525 1 13 . 1 1 4 4 GLU N N 5 119.020 119.020 115.152 3.868 18234 2526 1 13 . 1 1 4 4 GLU H H 5 8.702 8.702 8.268 0.434 18234 2527 1 13 . 1 1 5 5 LEU N N 6 124.230 124.230 124.883 -0.653 18234 2528 1 13 . 1 1 5 5 LEU H H 6 7.530 7.530 6.897 0.633 18234 2529 1 13 . 1 1 6 6 LYS N N 7 126.090 126.090 123.007 3.083 18234 2530 1 13 . 1 1 6 6 LYS H H 7 8.486 8.486 8.308 0.178 18234 2531 1 13 . 1 1 7 7 PHE N N 8 128.540 128.540 115.270 13.270 18234 2532 1 13 . 1 1 7 7 PHE H H 8 9.206 9.206 7.209 1.997 18234 2533 1 13 . 1 1 8 8 LEU N N 9 121.920 121.920 122.412 -0.492 18234 2534 1 13 . 1 1 8 8 LEU H H 9 8.827 8.827 7.614 1.213 18234 2535 1 13 . 1 1 9 9 VAL N N 10 127.280 127.280 119.516 7.764 18234 2536 1 13 . 1 1 9 9 VAL H H 10 8.983 8.983 8.954 0.029 18234 2537 1 13 . 1 1 10 10 VAL N N 11 127.250 127.250 119.459 7.791 18234 2538 1 13 . 1 1 10 10 VAL H H 11 9.251 9.251 8.381 0.870 18234 2539 1 13 . 1 1 11 11 ASP N N 12 123.770 123.770 124.579 -0.809 18234 2540 1 13 . 1 1 11 11 ASP H H 12 8.144 8.144 7.684 0.460 18234 2541 1 13 . 1 1 12 12 ASP N N 13 124.940 124.940 118.708 6.232 18234 2542 1 13 . 1 1 12 12 ASP H H 13 9.709 9.709 8.769 0.940 18234 2543 1 13 . 1 1 14 14 SER N N 15 126.800 126.800 115.978 10.822 18234 2544 1 13 . 1 1 14 14 SER H H 15 9.493 9.493 8.098 1.395 18234 2545 1 13 . 1 1 15 15 THR N N 16 116.700 116.700 113.275 3.425 18234 2546 1 13 . 1 1 15 15 THR H H 16 7.372 7.372 8.792 -1.420 18234 2547 1 13 . 1 1 16 16 MET N N 17 119.000 119.000 118.137 0.863 18234 2548 1 13 . 1 1 16 16 MET H H 17 6.326 6.326 7.897 -1.571 18234 2549 1 13 . 1 1 17 17 ARG N N 18 116.670 116.670 119.961 -3.291 18234 2550 1 13 . 1 1 17 17 ARG H H 18 7.515 7.515 7.792 -0.277 18234 2551 1 13 . 1 1 18 18 ARG N N 19 116.980 116.980 119.460 -2.480 18234 2552 1 13 . 1 1 18 18 ARG H H 19 7.638 7.638 8.635 -0.997 18234 2553 1 13 . 1 1 19 19 ILE N N 20 120.790 120.790 118.769 2.021 18234 2554 1 13 . 1 1 19 19 ILE H H 20 7.789 7.789 8.306 -0.517 18234 2555 1 13 . 1 1 20 20 VAL N N 21 119.340 119.340 120.141 -0.801 18234 2556 1 13 . 1 1 20 20 VAL H H 21 8.389 8.389 8.087 0.302 18234 2557 1 13 . 1 1 21 21 ARG N N 22 119.430 119.430 119.333 0.097 18234 2558 1 13 . 1 1 21 21 ARG H H 22 8.622 8.622 8.097 0.525 18234 2559 1 13 . 1 1 23 23 LEU N N 24 123.390 123.390 120.557 2.833 18234 2560 1 13 . 1 1 23 23 LEU H H 24 8.490 8.490 7.992 0.498 18234 2561 1 13 . 1 1 25 25 LYS N N 26 120.620 120.620 120.110 0.510 18234 2562 1 13 . 1 1 25 25 LYS H H 26 7.932 7.932 7.960 -0.028 18234 2563 1 13 . 1 1 26 26 GLU N N 27 122.290 122.290 118.897 3.393 18234 2564 1 13 . 1 1 26 26 GLU H H 27 7.985 7.985 8.468 -0.483 18234 2565 1 13 . 1 1 27 27 LEU N N 28 117.210 117.210 117.147 0.063 18234 2566 1 13 . 1 1 27 27 LEU H H 28 7.431 7.431 8.160 -0.729 18234 2567 1 13 . 1 1 28 28 GLY N N 29 128.170 128.170 104.349 23.821 18234 2568 1 13 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 2569 1 13 . 1 1 29 29 PHE N N 30 121.140 121.140 120.137 1.003 18234 2570 1 13 . 1 1 29 29 PHE H H 30 8.188 8.188 7.434 0.754 18234 2571 1 13 . 1 1 30 30 ASN N N 31 118.220 118.220 122.957 -4.737 18234 2572 1 13 . 1 1 30 30 ASN H H 31 8.305 8.305 8.741 -0.436 18234 2573 1 13 . 1 1 32 32 VAL N N 33 122.030 122.030 114.898 7.132 18234 2574 1 13 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 2575 1 13 . 1 1 33 33 GLU N N 34 126.880 126.880 119.505 7.375 18234 2576 1 13 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 2577 1 13 . 1 1 35 35 ALA N N 36 120.500 120.500 127.463 -6.963 18234 2578 1 13 . 1 1 35 35 ALA H H 36 8.878 8.878 8.258 0.620 18234 2579 1 13 . 1 1 36 36 GLU N N 37 117.420 117.420 127.599 -10.179 18234 2580 1 13 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 2581 1 13 . 1 1 37 37 ASP N N 38 131.500 131.500 117.626 13.874 18234 2582 1 13 . 1 1 37 37 ASP H H 38 7.450 7.450 8.228 -0.778 18234 2583 1 13 . 1 1 38 38 GLY N N 39 124.390 124.390 107.959 16.431 18234 2584 1 13 . 1 1 38 38 GLY H H 39 8.148 8.148 7.778 0.370 18234 2585 1 13 . 1 1 39 39 VAL N N 40 122.620 122.620 119.799 2.821 18234 2586 1 13 . 1 1 39 39 VAL H H 40 7.962 7.962 8.049 -0.087 18234 2587 1 13 . 1 1 40 40 ASP N N 41 121.110 121.110 119.199 1.911 18234 2588 1 13 . 1 1 40 40 ASP H H 41 8.518 8.518 8.306 0.212 18234 2589 1 13 . 1 1 41 41 ALA N N 42 116.970 116.970 122.789 -5.819 18234 2590 1 13 . 1 1 41 41 ALA H H 42 8.337 8.337 7.325 1.012 18234 2591 1 13 . 1 1 42 42 LEU N N 43 118.280 118.280 120.042 -1.762 18234 2592 1 13 . 1 1 42 42 LEU H H 43 8.121 8.121 7.509 0.612 18234 2593 1 13 . 1 1 45 45 LEU N N 46 118.530 118.530 121.157 -2.627 18234 2594 1 13 . 1 1 45 45 LEU H H 46 8.748 8.748 8.133 0.615 18234 2595 1 13 . 1 1 46 46 GLN N N 47 116.820 116.820 118.649 -1.829 18234 2596 1 13 . 1 1 46 46 GLN H H 47 7.865 7.865 8.074 -0.209 18234 2597 1 13 . 1 1 47 47 ALA N N 48 120.460 120.460 122.733 -2.273 18234 2598 1 13 . 1 1 47 47 ALA H H 48 7.611 7.611 8.271 -0.660 18234 2599 1 13 . 1 1 48 48 GLY N N 49 126.280 126.280 108.659 17.621 18234 2600 1 13 . 1 1 48 48 GLY H H 49 7.574 7.574 8.199 -0.625 18234 2601 1 13 . 1 1 49 49 GLY N N 50 125.810 125.810 110.839 14.971 18234 2602 1 13 . 1 1 49 49 GLY H H 50 8.367 8.367 8.531 -0.164 18234 2603 1 13 . 1 1 50 50 TYR N N 51 118.740 118.740 121.049 -2.309 18234 2604 1 13 . 1 1 50 50 TYR H H 51 8.126 8.126 8.318 -0.192 18234 2605 1 13 . 1 1 51 51 GLY N N 52 128.900 128.900 105.877 23.023 18234 2606 1 13 . 1 1 51 51 GLY H H 52 9.556 9.556 7.898 1.658 18234 2607 1 13 . 1 1 52 52 PHE N N 53 121.380 121.380 120.434 0.946 18234 2608 1 13 . 1 1 52 52 PHE H H 53 7.527 7.527 7.810 -0.283 18234 2609 1 13 . 1 1 53 53 VAL N N 54 127.150 127.150 121.556 5.594 18234 2610 1 13 . 1 1 53 53 VAL H H 54 8.246 8.246 8.237 0.009 18234 2611 1 13 . 1 1 54 54 ILE N N 55 128.130 128.130 118.487 9.643 18234 2612 1 13 . 1 1 54 54 ILE H H 55 9.235 9.235 8.317 0.918 18234 2613 1 13 . 1 1 55 55 SER N N 56 118.200 118.200 118.079 0.121 18234 2614 1 13 . 1 1 55 55 SER H H 56 8.678 8.678 8.022 0.656 18234 2615 1 13 . 1 1 56 56 ASP N N 57 127.290 127.290 119.309 7.981 18234 2616 1 13 . 1 1 56 56 ASP H H 57 8.412 8.412 7.358 1.054 18234 2617 1 13 . 1 1 58 58 ASN N N 59 116.980 116.980 119.133 -2.153 18234 2618 1 13 . 1 1 58 58 ASN H H 59 8.716 8.716 8.212 0.504 18234 2619 1 13 . 1 1 61 61 ASN N N 62 112.140 112.140 118.782 -6.642 18234 2620 1 13 . 1 1 61 61 ASN H H 62 8.598 8.598 7.821 0.777 18234 2621 1 13 . 1 1 62 62 MET N N 63 122.950 122.950 120.389 2.561 18234 2622 1 13 . 1 1 62 62 MET H H 63 9.192 9.192 8.687 0.505 18234 2623 1 13 . 1 1 63 63 ASP N N 64 126.540 126.540 119.374 7.166 18234 2624 1 13 . 1 1 63 63 ASP H H 64 8.518 8.518 8.391 0.127 18234 2625 1 13 . 1 1 65 65 LEU N N 66 121.870 121.870 122.588 -0.718 18234 2626 1 13 . 1 1 65 65 LEU H H 66 7.733 7.733 8.474 -0.741 18234 2627 1 13 . 1 1 66 66 GLU N N 67 119.470 119.470 124.463 -4.993 18234 2628 1 13 . 1 1 66 66 GLU H H 67 8.085 8.085 8.215 -0.130 18234 2629 1 13 . 1 1 67 67 LEU N N 68 123.910 123.910 118.947 4.963 18234 2630 1 13 . 1 1 67 67 LEU H H 68 8.299 8.299 8.034 0.265 18234 2631 1 13 . 1 1 68 68 LEU N N 69 120.640 120.640 121.058 -0.418 18234 2632 1 13 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 2633 1 13 . 1 1 69 69 LYS N N 70 116.080 116.080 120.313 -4.233 18234 2634 1 13 . 1 1 69 69 LYS H H 70 8.400 8.400 8.528 -0.128 18234 2635 1 13 . 1 1 70 70 THR N N 71 117.490 117.490 113.927 3.563 18234 2636 1 13 . 1 1 70 70 THR H H 71 8.028 8.028 7.735 0.293 18234 2637 1 13 . 1 1 71 71 ILE N N 72 123.640 123.640 120.527 3.113 18234 2638 1 13 . 1 1 71 71 ILE H H 72 8.459 8.459 7.520 0.939 18234 2639 1 13 . 1 1 72 72 ARG N N 73 113.350 113.350 118.815 -5.465 18234 2640 1 13 . 1 1 72 72 ARG H H 73 8.112 8.112 8.354 -0.242 18234 2641 1 13 . 1 1 73 73 ALA N N 74 118.900 118.900 122.493 -3.593 18234 2642 1 13 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 2643 1 13 . 1 1 74 74 ASP N N 75 121.870 121.870 120.582 1.288 18234 2644 1 13 . 1 1 74 74 ASP H H 75 7.399 7.399 7.810 -0.411 18234 2645 1 13 . 1 1 75 75 GLY N N 76 112.230 112.230 106.751 5.479 18234 2646 1 13 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 2647 1 13 . 1 1 76 76 ALA N N 77 121.970 121.970 119.489 2.481 18234 2648 1 13 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 2649 1 13 . 1 1 77 77 MET N N 78 116.180 116.180 117.351 -1.171 18234 2650 1 13 . 1 1 77 77 MET H H 78 8.477 8.477 8.074 0.403 18234 2651 1 13 . 1 1 78 78 SER N N 79 112.910 112.910 113.962 -1.052 18234 2652 1 13 . 1 1 78 78 SER H H 79 7.436 7.436 7.469 -0.033 18234 2653 1 13 . 1 1 79 79 ALA N N 80 123.080 123.080 121.778 1.302 18234 2654 1 13 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 2655 1 13 . 1 1 80 80 LEU N N 81 124.130 124.130 120.483 3.647 18234 2656 1 13 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 2657 1 13 . 1 1 82 82 VAL N N 83 118.860 118.860 123.976 -5.116 18234 2658 1 13 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 2659 1 13 . 1 1 83 83 LEU N N 84 130.450 130.450 115.499 14.951 18234 2660 1 13 . 1 1 83 83 LEU H H 84 9.135 9.135 7.928 1.207 18234 2661 1 13 . 1 1 84 84 MET N N 85 124.080 124.080 113.610 10.470 18234 2662 1 13 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 2663 1 13 . 1 1 85 85 VAL N N 86 124.810 124.810 122.640 2.170 18234 2664 1 13 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 2665 1 13 . 1 1 86 86 THR N N 87 116.560 116.560 114.516 2.044 18234 2666 1 13 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 2667 1 13 . 1 1 87 87 ALA N N 88 125.460 125.460 122.455 3.005 18234 2668 1 13 . 1 1 87 87 ALA H H 88 8.807 8.807 7.720 1.087 18234 2669 1 13 . 1 1 89 89 ALA N N 90 129.990 129.990 123.948 6.042 18234 2670 1 13 . 1 1 89 89 ALA H H 90 9.090 9.090 7.753 1.337 18234 2671 1 13 . 1 1 90 90 LYS N N 91 121.030 121.030 118.971 2.059 18234 2672 1 13 . 1 1 90 90 LYS H H 91 7.197 7.197 7.975 -0.778 18234 2673 1 13 . 1 1 92 92 GLU N N 93 116.280 116.280 119.461 -3.181 18234 2674 1 13 . 1 1 92 92 GLU H H 93 9.648 9.648 8.389 1.259 18234 2675 1 13 . 1 1 93 93 ASN N N 94 117.030 117.030 120.798 -3.768 18234 2676 1 13 . 1 1 93 93 ASN H H 94 7.116 7.116 8.376 -1.260 18234 2677 1 13 . 1 1 94 94 ILE N N 95 121.110 121.110 122.393 -1.283 18234 2678 1 13 . 1 1 94 94 ILE H H 95 7.546 7.546 8.131 -0.585 18234 2679 1 13 . 1 1 95 95 ILE N N 96 117.160 117.160 120.351 -3.191 18234 2680 1 13 . 1 1 95 95 ILE H H 96 8.172 8.172 8.109 0.063 18234 2681 1 13 . 1 1 96 96 ALA N N 97 120.060 120.060 122.299 -2.239 18234 2682 1 13 . 1 1 96 96 ALA H H 97 7.541 7.541 7.996 -0.455 18234 2683 1 13 . 1 1 97 97 ALA N N 98 119.150 119.150 122.930 -3.780 18234 2684 1 13 . 1 1 97 97 ALA H H 98 8.524 8.524 8.232 0.292 18234 2685 1 13 . 1 1 99 99 GLN N N 100 118.210 118.210 119.224 -1.014 18234 2686 1 13 . 1 1 99 99 GLN H H 100 8.974 8.974 7.640 1.334 18234 2687 1 13 . 1 1 100 100 ALA N N 101 117.990 117.990 122.100 -4.110 18234 2688 1 13 . 1 1 100 100 ALA H H 101 7.624 7.624 7.815 -0.191 18234 2689 1 13 . 1 1 102 102 ALA N N 103 123.640 123.640 120.568 3.072 18234 2690 1 13 . 1 1 102 102 ALA H H 103 8.726 8.726 8.079 0.647 18234 2691 1 13 . 1 1 103 103 SER N N 104 115.000 115.000 115.201 -0.201 18234 2692 1 13 . 1 1 103 103 SER H H 104 9.114 9.114 7.536 1.578 18234 2693 1 13 . 1 1 104 104 GLY N N 105 125.250 125.250 107.290 17.960 18234 2694 1 13 . 1 1 104 104 GLY H H 105 7.442 7.442 7.638 -0.196 18234 2695 1 13 . 1 1 105 105 TYR N N 106 118.860 118.860 118.247 0.613 18234 2696 1 13 . 1 1 105 105 TYR H H 106 8.524 8.524 7.973 0.551 18234 2697 1 13 . 1 1 107 107 VAL N N 108 127.360 127.360 117.000 10.360 18234 2698 1 13 . 1 1 107 107 VAL H H 108 8.089 8.089 8.044 0.045 18234 2699 1 13 . 1 1 108 108 LYS N N 109 123.480 123.480 120.036 3.444 18234 2700 1 13 . 1 1 108 108 LYS H H 109 8.376 8.376 7.727 0.649 18234 2701 1 13 . 1 1 111 111 THR N N 112 130.470 130.470 113.484 16.986 18234 2702 1 13 . 1 1 111 111 THR H H 112 7.916 7.916 8.294 -0.378 18234 2703 1 13 . 1 1 112 112 ALA N N 113 122.650 122.650 129.505 -6.855 18234 2704 1 13 . 1 1 112 112 ALA H H 113 9.188 9.188 8.766 0.422 18234 2705 1 13 . 1 1 113 113 ALA N N 114 118.690 118.690 121.415 -2.725 18234 2706 1 13 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 2707 1 13 . 1 1 115 115 LEU N N 116 121.770 121.770 125.011 -3.241 18234 2708 1 13 . 1 1 115 115 LEU H H 116 8.235 8.235 7.935 0.300 18234 2709 1 13 . 1 1 116 116 GLU N N 117 119.060 119.060 118.784 0.276 18234 2710 1 13 . 1 1 116 116 GLU H H 117 8.857 8.857 8.210 0.647 18234 2711 1 13 . 1 1 117 117 GLU N N 118 117.750 117.750 121.483 -3.733 18234 2712 1 13 . 1 1 117 117 GLU H H 118 7.670 7.670 8.399 -0.729 18234 2713 1 13 . 1 1 119 119 LEU N N 120 118.400 118.400 120.770 -2.370 18234 2714 1 13 . 1 1 119 119 LEU H H 120 8.543 8.543 7.944 0.599 18234 2715 1 13 . 1 1 120 120 ASN N N 121 115.130 115.130 118.591 -3.461 18234 2716 1 13 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 2717 1 13 . 1 1 121 121 LYS N N 122 119.730 119.730 120.553 -0.823 18234 2718 1 13 . 1 1 121 121 LYS H H 122 7.585 7.585 7.914 -0.329 18234 2719 1 13 . 1 1 122 122 ILE N N 123 120.980 120.980 117.716 3.264 18234 2720 1 13 . 1 1 122 122 ILE H H 123 7.385 7.385 8.154 -0.769 18234 2721 1 13 . 1 1 123 123 PHE N N 124 117.660 117.660 117.050 0.610 18234 2722 1 13 . 1 1 123 123 PHE H H 124 9.111 9.111 8.206 0.905 18234 2723 1 13 . 1 1 124 124 GLU N N 125 119.190 119.190 120.159 -0.969 18234 2724 1 13 . 1 1 124 124 GLU H H 125 8.330 8.330 7.855 0.475 18234 2725 1 13 . 1 1 125 125 LYS N N 126 121.310 121.310 121.033 0.277 18234 2726 1 13 . 1 1 125 125 LYS H H 126 8.317 8.317 8.084 0.233 18234 2727 1 13 . 1 1 127 127 GLY N N 128 110.530 110.530 106.627 3.903 18234 2728 1 13 . 1 1 127 127 GLY H H 128 7.966 7.966 7.748 0.218 18234 2729 1 13 . 1 1 128 128 MET N N 129 124.430 124.430 118.164 6.266 18234 2730 1 13 . 1 1 128 128 MET H H 129 8.432 8.432 8.189 0.243 18234 2731 1 14 . 1 1 2 2 ASP N N 3 121.390 121.390 122.922 -1.532 18234 2732 1 14 . 1 1 2 2 ASP H H 3 8.589 8.589 8.516 0.073 18234 2733 1 14 . 1 1 3 3 LYS N N 4 122.470 122.470 125.833 -3.363 18234 2734 1 14 . 1 1 3 3 LYS H H 4 8.529 8.529 8.248 0.281 18234 2735 1 14 . 1 1 4 4 GLU N N 5 119.020 119.020 114.993 4.027 18234 2736 1 14 . 1 1 4 4 GLU H H 5 8.702 8.702 8.233 0.469 18234 2737 1 14 . 1 1 5 5 LEU N N 6 124.230 124.230 123.195 1.035 18234 2738 1 14 . 1 1 5 5 LEU H H 6 7.530 7.530 7.279 0.251 18234 2739 1 14 . 1 1 6 6 LYS N N 7 126.090 126.090 118.497 7.593 18234 2740 1 14 . 1 1 6 6 LYS H H 7 8.486 8.486 8.166 0.320 18234 2741 1 14 . 1 1 7 7 PHE N N 8 128.540 128.540 113.780 14.760 18234 2742 1 14 . 1 1 7 7 PHE H H 8 9.206 9.206 7.538 1.668 18234 2743 1 14 . 1 1 8 8 LEU N N 9 121.920 121.920 122.183 -0.263 18234 2744 1 14 . 1 1 8 8 LEU H H 9 8.827 8.827 8.639 0.188 18234 2745 1 14 . 1 1 9 9 VAL N N 10 127.280 127.280 119.272 8.008 18234 2746 1 14 . 1 1 9 9 VAL H H 10 8.983 8.983 8.527 0.456 18234 2747 1 14 . 1 1 10 10 VAL N N 11 127.250 127.250 118.734 8.516 18234 2748 1 14 . 1 1 10 10 VAL H H 11 9.251 9.251 8.529 0.722 18234 2749 1 14 . 1 1 11 11 ASP N N 12 123.770 123.770 123.635 0.135 18234 2750 1 14 . 1 1 11 11 ASP H H 12 8.144 8.144 7.760 0.384 18234 2751 1 14 . 1 1 12 12 ASP N N 13 124.940 124.940 118.736 6.204 18234 2752 1 14 . 1 1 12 12 ASP H H 13 9.709 9.709 8.691 1.018 18234 2753 1 14 . 1 1 14 14 SER N N 15 126.800 126.800 115.433 11.367 18234 2754 1 14 . 1 1 14 14 SER H H 15 9.493 9.493 7.980 1.513 18234 2755 1 14 . 1 1 15 15 THR N N 16 116.700 116.700 113.682 3.018 18234 2756 1 14 . 1 1 15 15 THR H H 16 7.372 7.372 8.664 -1.292 18234 2757 1 14 . 1 1 16 16 MET N N 17 119.000 119.000 118.063 0.937 18234 2758 1 14 . 1 1 16 16 MET H H 17 6.326 6.326 7.810 -1.484 18234 2759 1 14 . 1 1 17 17 ARG N N 18 116.670 116.670 119.929 -3.259 18234 2760 1 14 . 1 1 17 17 ARG H H 18 7.515 7.515 7.745 -0.230 18234 2761 1 14 . 1 1 18 18 ARG N N 19 116.980 116.980 119.426 -2.446 18234 2762 1 14 . 1 1 18 18 ARG H H 19 7.638 7.638 8.582 -0.944 18234 2763 1 14 . 1 1 19 19 ILE N N 20 120.790 120.790 118.739 2.051 18234 2764 1 14 . 1 1 19 19 ILE H H 20 7.789 7.789 8.271 -0.482 18234 2765 1 14 . 1 1 20 20 VAL N N 21 119.340 119.340 120.122 -0.782 18234 2766 1 14 . 1 1 20 20 VAL H H 21 8.389 8.389 8.070 0.319 18234 2767 1 14 . 1 1 21 21 ARG N N 22 119.430 119.430 119.307 0.123 18234 2768 1 14 . 1 1 21 21 ARG H H 22 8.622 8.622 8.073 0.549 18234 2769 1 14 . 1 1 23 23 LEU N N 24 123.390 123.390 120.555 2.835 18234 2770 1 14 . 1 1 23 23 LEU H H 24 8.490 8.490 7.981 0.509 18234 2771 1 14 . 1 1 25 25 LYS N N 26 120.620 120.620 120.800 -0.180 18234 2772 1 14 . 1 1 25 25 LYS H H 26 7.932 7.932 8.019 -0.087 18234 2773 1 14 . 1 1 26 26 GLU N N 27 122.290 122.290 118.899 3.391 18234 2774 1 14 . 1 1 26 26 GLU H H 27 7.985 7.985 8.469 -0.484 18234 2775 1 14 . 1 1 27 27 LEU N N 28 117.210 117.210 117.135 0.075 18234 2776 1 14 . 1 1 27 27 LEU H H 28 7.431 7.431 8.153 -0.722 18234 2777 1 14 . 1 1 28 28 GLY N N 29 128.170 128.170 104.354 23.816 18234 2778 1 14 . 1 1 28 28 GLY H H 29 7.735 7.735 7.642 0.093 18234 2779 1 14 . 1 1 29 29 PHE N N 30 121.140 121.140 120.165 0.975 18234 2780 1 14 . 1 1 29 29 PHE H H 30 8.188 8.188 7.428 0.760 18234 2781 1 14 . 1 1 30 30 ASN N N 31 118.220 118.220 122.975 -4.755 18234 2782 1 14 . 1 1 30 30 ASN H H 31 8.305 8.305 8.606 -0.301 18234 2783 1 14 . 1 1 32 32 VAL N N 33 122.030 122.030 114.892 7.138 18234 2784 1 14 . 1 1 32 32 VAL H H 33 7.522 7.522 8.721 -1.199 18234 2785 1 14 . 1 1 33 33 GLU N N 34 126.880 126.880 119.517 7.363 18234 2786 1 14 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 2787 1 14 . 1 1 35 35 ALA N N 36 120.500 120.500 126.146 -5.646 18234 2788 1 14 . 1 1 35 35 ALA H H 36 8.878 8.878 8.078 0.800 18234 2789 1 14 . 1 1 36 36 GLU N N 37 117.420 117.420 127.601 -10.181 18234 2790 1 14 . 1 1 36 36 GLU H H 37 9.476 9.476 8.920 0.556 18234 2791 1 14 . 1 1 37 37 ASP N N 38 131.500 131.500 117.443 14.057 18234 2792 1 14 . 1 1 37 37 ASP H H 38 7.450 7.450 8.145 -0.695 18234 2793 1 14 . 1 1 38 38 GLY N N 39 124.390 124.390 107.755 16.635 18234 2794 1 14 . 1 1 38 38 GLY H H 39 8.148 8.148 7.798 0.350 18234 2795 1 14 . 1 1 39 39 VAL N N 40 122.620 122.620 119.806 2.814 18234 2796 1 14 . 1 1 39 39 VAL H H 40 7.962 7.962 8.137 -0.175 18234 2797 1 14 . 1 1 40 40 ASP N N 41 121.110 121.110 119.432 1.678 18234 2798 1 14 . 1 1 40 40 ASP H H 41 8.518 8.518 8.356 0.162 18234 2799 1 14 . 1 1 41 41 ALA N N 42 116.970 116.970 122.901 -5.931 18234 2800 1 14 . 1 1 41 41 ALA H H 42 8.337 8.337 7.337 1.000 18234 2801 1 14 . 1 1 42 42 LEU N N 43 118.280 118.280 120.039 -1.759 18234 2802 1 14 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 2803 1 14 . 1 1 45 45 LEU N N 46 118.530 118.530 120.526 -1.996 18234 2804 1 14 . 1 1 45 45 LEU H H 46 8.748 8.748 8.086 0.662 18234 2805 1 14 . 1 1 46 46 GLN N N 47 116.820 116.820 118.635 -1.815 18234 2806 1 14 . 1 1 46 46 GLN H H 47 7.865 7.865 8.064 -0.199 18234 2807 1 14 . 1 1 47 47 ALA N N 48 120.460 120.460 122.731 -2.271 18234 2808 1 14 . 1 1 47 47 ALA H H 48 7.611 7.611 8.259 -0.648 18234 2809 1 14 . 1 1 48 48 GLY N N 49 126.280 126.280 108.630 17.650 18234 2810 1 14 . 1 1 48 48 GLY H H 49 7.574 7.574 8.182 -0.608 18234 2811 1 14 . 1 1 49 49 GLY N N 50 125.810 125.810 110.788 15.022 18234 2812 1 14 . 1 1 49 49 GLY H H 50 8.367 8.367 8.480 -0.113 18234 2813 1 14 . 1 1 50 50 TYR N N 51 118.740 118.740 121.012 -2.272 18234 2814 1 14 . 1 1 50 50 TYR H H 51 8.126 8.126 8.272 -0.146 18234 2815 1 14 . 1 1 51 51 GLY N N 52 128.900 128.900 105.918 22.982 18234 2816 1 14 . 1 1 51 51 GLY H H 52 9.556 9.556 7.906 1.650 18234 2817 1 14 . 1 1 52 52 PHE N N 53 121.380 121.380 120.651 0.729 18234 2818 1 14 . 1 1 52 52 PHE H H 53 7.527 7.527 7.943 -0.416 18234 2819 1 14 . 1 1 53 53 VAL N N 54 127.150 127.150 121.382 5.768 18234 2820 1 14 . 1 1 53 53 VAL H H 54 8.246 8.246 8.091 0.155 18234 2821 1 14 . 1 1 54 54 ILE N N 55 128.130 128.130 118.689 9.441 18234 2822 1 14 . 1 1 54 54 ILE H H 55 9.235 9.235 8.232 1.003 18234 2823 1 14 . 1 1 55 55 SER N N 56 118.200 118.200 119.855 -1.655 18234 2824 1 14 . 1 1 55 55 SER H H 56 8.678 8.678 8.031 0.647 18234 2825 1 14 . 1 1 56 56 ASP N N 57 127.290 127.290 120.568 6.722 18234 2826 1 14 . 1 1 56 56 ASP H H 57 8.412 8.412 7.604 0.808 18234 2827 1 14 . 1 1 58 58 ASN N N 59 116.980 116.980 119.713 -2.733 18234 2828 1 14 . 1 1 58 58 ASN H H 59 8.716 8.716 8.513 0.203 18234 2829 1 14 . 1 1 61 61 ASN N N 62 112.140 112.140 118.738 -6.598 18234 2830 1 14 . 1 1 61 61 ASN H H 62 8.598 8.598 7.810 0.788 18234 2831 1 14 . 1 1 62 62 MET N N 63 122.950 122.950 118.913 4.037 18234 2832 1 14 . 1 1 62 62 MET H H 63 9.192 9.192 8.620 0.572 18234 2833 1 14 . 1 1 63 63 ASP N N 64 126.540 126.540 119.771 6.769 18234 2834 1 14 . 1 1 63 63 ASP H H 64 8.518 8.518 8.336 0.182 18234 2835 1 14 . 1 1 65 65 LEU N N 66 121.870 121.870 122.013 -0.143 18234 2836 1 14 . 1 1 65 65 LEU H H 66 7.733 7.733 8.512 -0.779 18234 2837 1 14 . 1 1 66 66 GLU N N 67 119.470 119.470 124.450 -4.980 18234 2838 1 14 . 1 1 66 66 GLU H H 67 8.085 8.085 8.193 -0.108 18234 2839 1 14 . 1 1 67 67 LEU N N 68 123.910 123.910 118.846 5.064 18234 2840 1 14 . 1 1 67 67 LEU H H 68 8.299 8.299 8.041 0.258 18234 2841 1 14 . 1 1 68 68 LEU N N 69 120.640 120.640 121.036 -0.396 18234 2842 1 14 . 1 1 68 68 LEU H H 69 8.249 8.249 7.665 0.584 18234 2843 1 14 . 1 1 69 69 LYS N N 70 116.080 116.080 120.216 -4.136 18234 2844 1 14 . 1 1 69 69 LYS H H 70 8.400 8.400 8.552 -0.152 18234 2845 1 14 . 1 1 70 70 THR N N 71 117.490 117.490 114.152 3.338 18234 2846 1 14 . 1 1 70 70 THR H H 71 8.028 8.028 7.799 0.229 18234 2847 1 14 . 1 1 71 71 ILE N N 72 123.640 123.640 120.629 3.011 18234 2848 1 14 . 1 1 71 71 ILE H H 72 8.459 8.459 7.473 0.986 18234 2849 1 14 . 1 1 72 72 ARG N N 73 113.350 113.350 118.803 -5.453 18234 2850 1 14 . 1 1 72 72 ARG H H 73 8.112 8.112 8.354 -0.242 18234 2851 1 14 . 1 1 73 73 ALA N N 74 118.900 118.900 122.502 -3.602 18234 2852 1 14 . 1 1 73 73 ALA H H 74 7.286 7.286 8.235 -0.949 18234 2853 1 14 . 1 1 74 74 ASP N N 75 121.870 121.870 120.584 1.286 18234 2854 1 14 . 1 1 74 74 ASP H H 75 7.399 7.399 7.805 -0.406 18234 2855 1 14 . 1 1 75 75 GLY N N 76 112.230 112.230 106.761 5.469 18234 2856 1 14 . 1 1 75 75 GLY H H 76 8.728 8.728 8.217 0.511 18234 2857 1 14 . 1 1 76 76 ALA N N 77 121.970 121.970 119.488 2.482 18234 2858 1 14 . 1 1 76 76 ALA H H 77 8.558 8.558 7.801 0.757 18234 2859 1 14 . 1 1 77 77 MET N N 78 116.180 116.180 117.363 -1.183 18234 2860 1 14 . 1 1 77 77 MET H H 78 8.477 8.477 8.075 0.402 18234 2861 1 14 . 1 1 78 78 SER N N 79 112.910 112.910 113.942 -1.032 18234 2862 1 14 . 1 1 78 78 SER H H 79 7.436 7.436 7.465 -0.029 18234 2863 1 14 . 1 1 79 79 ALA N N 80 123.080 123.080 121.777 1.303 18234 2864 1 14 . 1 1 79 79 ALA H H 80 8.246 8.246 8.047 0.199 18234 2865 1 14 . 1 1 80 80 LEU N N 81 124.130 124.130 120.479 3.651 18234 2866 1 14 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 2867 1 14 . 1 1 82 82 VAL N N 83 118.860 118.860 124.018 -5.158 18234 2868 1 14 . 1 1 82 82 VAL H H 83 7.731 7.731 8.565 -0.834 18234 2869 1 14 . 1 1 83 83 LEU N N 84 130.450 130.450 115.518 14.932 18234 2870 1 14 . 1 1 83 83 LEU H H 84 9.135 9.135 7.925 1.210 18234 2871 1 14 . 1 1 84 84 MET N N 85 124.080 124.080 113.588 10.492 18234 2872 1 14 . 1 1 84 84 MET H H 85 7.855 7.855 8.543 -0.688 18234 2873 1 14 . 1 1 85 85 VAL N N 86 124.810 124.810 122.643 2.167 18234 2874 1 14 . 1 1 85 85 VAL H H 86 9.198 9.198 7.634 1.564 18234 2875 1 14 . 1 1 86 86 THR N N 87 116.560 116.560 114.525 2.035 18234 2876 1 14 . 1 1 86 86 THR H H 87 8.715 8.715 8.632 0.083 18234 2877 1 14 . 1 1 87 87 ALA N N 88 125.460 125.460 122.453 3.007 18234 2878 1 14 . 1 1 87 87 ALA H H 88 8.807 8.807 7.720 1.087 18234 2879 1 14 . 1 1 89 89 ALA N N 90 129.990 129.990 123.938 6.052 18234 2880 1 14 . 1 1 89 89 ALA H H 90 9.090 9.090 7.747 1.343 18234 2881 1 14 . 1 1 90 90 LYS N N 91 121.030 121.030 118.966 2.064 18234 2882 1 14 . 1 1 90 90 LYS H H 91 7.197 7.197 7.975 -0.778 18234 2883 1 14 . 1 1 92 92 GLU N N 93 116.280 116.280 119.448 -3.168 18234 2884 1 14 . 1 1 92 92 GLU H H 93 9.648 9.648 8.381 1.267 18234 2885 1 14 . 1 1 93 93 ASN N N 94 117.030 117.030 120.802 -3.772 18234 2886 1 14 . 1 1 93 93 ASN H H 94 7.116 7.116 8.376 -1.260 18234 2887 1 14 . 1 1 94 94 ILE N N 95 121.110 121.110 122.377 -1.267 18234 2888 1 14 . 1 1 94 94 ILE H H 95 7.546 7.546 8.123 -0.577 18234 2889 1 14 . 1 1 95 95 ILE N N 96 117.160 117.160 120.354 -3.194 18234 2890 1 14 . 1 1 95 95 ILE H H 96 8.172 8.172 8.106 0.066 18234 2891 1 14 . 1 1 96 96 ALA N N 97 120.060 120.060 122.294 -2.234 18234 2892 1 14 . 1 1 96 96 ALA H H 97 7.541 7.541 7.997 -0.456 18234 2893 1 14 . 1 1 97 97 ALA N N 98 119.150 119.150 122.932 -3.782 18234 2894 1 14 . 1 1 97 97 ALA H H 98 8.524 8.524 8.231 0.293 18234 2895 1 14 . 1 1 99 99 GLN N N 100 118.210 118.210 119.230 -1.020 18234 2896 1 14 . 1 1 99 99 GLN H H 100 8.974 8.974 7.647 1.327 18234 2897 1 14 . 1 1 100 100 ALA N N 101 117.990 117.990 122.112 -4.122 18234 2898 1 14 . 1 1 100 100 ALA H H 101 7.624 7.624 7.819 -0.195 18234 2899 1 14 . 1 1 102 102 ALA N N 103 123.640 123.640 120.650 2.990 18234 2900 1 14 . 1 1 102 102 ALA H H 103 8.726 8.726 8.135 0.591 18234 2901 1 14 . 1 1 103 103 SER N N 104 115.000 115.000 115.284 -0.284 18234 2902 1 14 . 1 1 103 103 SER H H 104 9.114 9.114 7.598 1.516 18234 2903 1 14 . 1 1 104 104 GLY N N 105 125.250 125.250 107.408 17.842 18234 2904 1 14 . 1 1 104 104 GLY H H 105 7.442 7.442 7.730 -0.288 18234 2905 1 14 . 1 1 105 105 TYR N N 106 118.860 118.860 118.519 0.341 18234 2906 1 14 . 1 1 105 105 TYR H H 106 8.524 8.524 8.291 0.233 18234 2907 1 14 . 1 1 107 107 VAL N N 108 127.360 127.360 117.077 10.283 18234 2908 1 14 . 1 1 107 107 VAL H H 108 8.089 8.089 8.146 -0.057 18234 2909 1 14 . 1 1 108 108 LYS N N 109 123.480 123.480 120.102 3.378 18234 2910 1 14 . 1 1 108 108 LYS H H 109 8.376 8.376 7.807 0.569 18234 2911 1 14 . 1 1 111 111 THR N N 112 130.470 130.470 113.508 16.962 18234 2912 1 14 . 1 1 111 111 THR H H 112 7.916 7.916 8.307 -0.391 18234 2913 1 14 . 1 1 112 112 ALA N N 113 122.650 122.650 129.518 -6.868 18234 2914 1 14 . 1 1 112 112 ALA H H 113 9.188 9.188 8.773 0.415 18234 2915 1 14 . 1 1 113 113 ALA N N 114 118.690 118.690 121.427 -2.737 18234 2916 1 14 . 1 1 113 113 ALA H H 114 8.212 8.212 8.230 -0.018 18234 2917 1 14 . 1 1 115 115 LEU N N 116 121.770 121.770 125.028 -3.258 18234 2918 1 14 . 1 1 115 115 LEU H H 116 8.235 8.235 7.935 0.300 18234 2919 1 14 . 1 1 116 116 GLU N N 117 119.060 119.060 118.763 0.297 18234 2920 1 14 . 1 1 116 116 GLU H H 117 8.857 8.857 8.174 0.683 18234 2921 1 14 . 1 1 117 117 GLU N N 118 117.750 117.750 121.478 -3.728 18234 2922 1 14 . 1 1 117 117 GLU H H 118 7.670 7.670 8.399 -0.729 18234 2923 1 14 . 1 1 119 119 LEU N N 120 118.400 118.400 120.749 -2.349 18234 2924 1 14 . 1 1 119 119 LEU H H 120 8.543 8.543 7.934 0.609 18234 2925 1 14 . 1 1 120 120 ASN N N 121 115.130 115.130 118.593 -3.463 18234 2926 1 14 . 1 1 120 120 ASN H H 121 8.605 8.605 8.001 0.604 18234 2927 1 14 . 1 1 121 121 LYS N N 122 119.730 119.730 120.557 -0.827 18234 2928 1 14 . 1 1 121 121 LYS H H 122 7.585 7.585 7.914 -0.329 18234 2929 1 14 . 1 1 122 122 ILE N N 123 120.980 120.980 117.698 3.282 18234 2930 1 14 . 1 1 122 122 ILE H H 123 7.385 7.385 8.149 -0.764 18234 2931 1 14 . 1 1 123 123 PHE N N 124 117.660 117.660 117.048 0.612 18234 2932 1 14 . 1 1 123 123 PHE H H 124 9.111 9.111 8.187 0.924 18234 2933 1 14 . 1 1 124 124 GLU N N 125 119.190 119.190 120.157 -0.967 18234 2934 1 14 . 1 1 124 124 GLU H H 125 8.330 8.330 7.853 0.477 18234 2935 1 14 . 1 1 125 125 LYS N N 126 121.310 121.310 121.035 0.275 18234 2936 1 14 . 1 1 125 125 LYS H H 126 8.317 8.317 8.085 0.232 18234 2937 1 14 . 1 1 127 127 GLY N N 128 110.530 110.530 106.634 3.896 18234 2938 1 14 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 2939 1 14 . 1 1 128 128 MET N N 129 124.430 124.430 118.057 6.373 18234 2940 1 14 . 1 1 128 128 MET H H 129 8.432 8.432 8.170 0.262 18234 2941 1 15 . 1 1 2 2 ASP N N 3 121.390 121.390 127.155 -5.765 18234 2942 1 15 . 1 1 2 2 ASP H H 3 8.589 8.589 8.467 0.122 18234 2943 1 15 . 1 1 3 3 LYS N N 4 122.470 122.470 115.875 6.595 18234 2944 1 15 . 1 1 3 3 LYS H H 4 8.529 8.529 8.090 0.439 18234 2945 1 15 . 1 1 4 4 GLU N N 5 119.020 119.020 118.571 0.449 18234 2946 1 15 . 1 1 4 4 GLU H H 5 8.702 8.702 8.449 0.253 18234 2947 1 15 . 1 1 5 5 LEU N N 6 124.230 124.230 121.467 2.763 18234 2948 1 15 . 1 1 5 5 LEU H H 6 7.530 7.530 7.425 0.105 18234 2949 1 15 . 1 1 6 6 LYS N N 7 126.090 126.090 123.026 3.064 18234 2950 1 15 . 1 1 6 6 LYS H H 7 8.486 8.486 8.003 0.483 18234 2951 1 15 . 1 1 7 7 PHE N N 8 128.540 128.540 115.376 13.164 18234 2952 1 15 . 1 1 7 7 PHE H H 8 9.206 9.206 8.253 0.953 18234 2953 1 15 . 1 1 8 8 LEU N N 9 121.920 121.920 122.278 -0.358 18234 2954 1 15 . 1 1 8 8 LEU H H 9 8.827 8.827 7.757 1.070 18234 2955 1 15 . 1 1 9 9 VAL N N 10 127.280 127.280 118.814 8.466 18234 2956 1 15 . 1 1 9 9 VAL H H 10 8.983 8.983 8.780 0.203 18234 2957 1 15 . 1 1 10 10 VAL N N 11 127.250 127.250 118.371 8.879 18234 2958 1 15 . 1 1 10 10 VAL H H 11 9.251 9.251 8.396 0.855 18234 2959 1 15 . 1 1 11 11 ASP N N 12 123.770 123.770 125.038 -1.268 18234 2960 1 15 . 1 1 11 11 ASP H H 12 8.144 8.144 7.646 0.498 18234 2961 1 15 . 1 1 12 12 ASP N N 13 124.940 124.940 118.923 6.017 18234 2962 1 15 . 1 1 12 12 ASP H H 13 9.709 9.709 8.821 0.888 18234 2963 1 15 . 1 1 14 14 SER N N 15 126.800 126.800 115.912 10.888 18234 2964 1 15 . 1 1 14 14 SER H H 15 9.493 9.493 8.004 1.489 18234 2965 1 15 . 1 1 15 15 THR N N 16 116.700 116.700 114.220 2.480 18234 2966 1 15 . 1 1 15 15 THR H H 16 7.372 7.372 8.551 -1.179 18234 2967 1 15 . 1 1 16 16 MET N N 17 119.000 119.000 118.074 0.926 18234 2968 1 15 . 1 1 16 16 MET H H 17 6.326 6.326 7.818 -1.492 18234 2969 1 15 . 1 1 17 17 ARG N N 18 116.670 116.670 119.926 -3.256 18234 2970 1 15 . 1 1 17 17 ARG H H 18 7.515 7.515 7.744 -0.229 18234 2971 1 15 . 1 1 18 18 ARG N N 19 116.980 116.980 119.422 -2.442 18234 2972 1 15 . 1 1 18 18 ARG H H 19 7.638 7.638 8.580 -0.942 18234 2973 1 15 . 1 1 19 19 ILE N N 20 120.790 120.790 118.757 2.033 18234 2974 1 15 . 1 1 19 19 ILE H H 20 7.789 7.789 8.275 -0.486 18234 2975 1 15 . 1 1 20 20 VAL N N 21 119.340 119.340 120.126 -0.786 18234 2976 1 15 . 1 1 20 20 VAL H H 21 8.389 8.389 8.074 0.315 18234 2977 1 15 . 1 1 21 21 ARG N N 22 119.430 119.430 119.313 0.117 18234 2978 1 15 . 1 1 21 21 ARG H H 22 8.622 8.622 8.079 0.543 18234 2979 1 15 . 1 1 23 23 LEU N N 24 123.390 123.390 120.560 2.830 18234 2980 1 15 . 1 1 23 23 LEU H H 24 8.490 8.490 7.987 0.503 18234 2981 1 15 . 1 1 25 25 LYS N N 26 120.620 120.620 120.082 0.538 18234 2982 1 15 . 1 1 25 25 LYS H H 26 7.932 7.932 7.953 -0.021 18234 2983 1 15 . 1 1 26 26 GLU N N 27 122.290 122.290 118.890 3.400 18234 2984 1 15 . 1 1 26 26 GLU H H 27 7.985 7.985 8.463 -0.478 18234 2985 1 15 . 1 1 27 27 LEU N N 28 117.210 117.210 117.161 0.049 18234 2986 1 15 . 1 1 27 27 LEU H H 28 7.431 7.431 8.157 -0.726 18234 2987 1 15 . 1 1 28 28 GLY N N 29 128.170 128.170 104.345 23.825 18234 2988 1 15 . 1 1 28 28 GLY H H 29 7.735 7.735 7.643 0.092 18234 2989 1 15 . 1 1 29 29 PHE N N 30 121.140 121.140 120.038 1.102 18234 2990 1 15 . 1 1 29 29 PHE H H 30 8.188 8.188 7.431 0.757 18234 2991 1 15 . 1 1 30 30 ASN N N 31 118.220 118.220 122.909 -4.689 18234 2992 1 15 . 1 1 30 30 ASN H H 31 8.305 8.305 8.731 -0.426 18234 2993 1 15 . 1 1 32 32 VAL N N 33 122.030 122.030 114.880 7.150 18234 2994 1 15 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 2995 1 15 . 1 1 33 33 GLU N N 34 126.880 126.880 119.512 7.368 18234 2996 1 15 . 1 1 33 33 GLU H H 34 9.124 9.124 7.728 1.396 18234 2997 1 15 . 1 1 35 35 ALA N N 36 120.500 120.500 127.416 -6.916 18234 2998 1 15 . 1 1 35 35 ALA H H 36 8.878 8.878 8.265 0.613 18234 2999 1 15 . 1 1 36 36 GLU N N 37 117.420 117.420 127.596 -10.176 18234 3000 1 15 . 1 1 36 36 GLU H H 37 9.476 9.476 8.920 0.556 18234 3001 1 15 . 1 1 37 37 ASP N N 38 131.500 131.500 117.938 13.562 18234 3002 1 15 . 1 1 37 37 ASP H H 38 7.450 7.450 8.200 -0.750 18234 3003 1 15 . 1 1 38 38 GLY N N 39 124.390 124.390 108.514 15.876 18234 3004 1 15 . 1 1 38 38 GLY H H 39 8.148 8.148 7.729 0.419 18234 3005 1 15 . 1 1 39 39 VAL N N 40 122.620 122.620 119.338 3.282 18234 3006 1 15 . 1 1 39 39 VAL H H 40 7.962 7.962 8.054 -0.092 18234 3007 1 15 . 1 1 40 40 ASP N N 41 121.110 121.110 119.277 1.833 18234 3008 1 15 . 1 1 40 40 ASP H H 41 8.518 8.518 8.372 0.146 18234 3009 1 15 . 1 1 41 41 ALA N N 42 116.970 116.970 122.924 -5.954 18234 3010 1 15 . 1 1 41 41 ALA H H 42 8.337 8.337 7.349 0.988 18234 3011 1 15 . 1 1 42 42 LEU N N 43 118.280 118.280 120.048 -1.768 18234 3012 1 15 . 1 1 42 42 LEU H H 43 8.121 8.121 7.502 0.619 18234 3013 1 15 . 1 1 45 45 LEU N N 46 118.530 118.530 120.410 -1.880 18234 3014 1 15 . 1 1 45 45 LEU H H 46 8.748 8.748 8.084 0.664 18234 3015 1 15 . 1 1 46 46 GLN N N 47 116.820 116.820 118.630 -1.810 18234 3016 1 15 . 1 1 46 46 GLN H H 47 7.865 7.865 8.066 -0.201 18234 3017 1 15 . 1 1 47 47 ALA N N 48 120.460 120.460 122.738 -2.278 18234 3018 1 15 . 1 1 47 47 ALA H H 48 7.611 7.611 8.267 -0.656 18234 3019 1 15 . 1 1 48 48 GLY N N 49 126.280 126.280 108.633 17.647 18234 3020 1 15 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 3021 1 15 . 1 1 49 49 GLY N N 50 125.810 125.810 111.251 14.559 18234 3022 1 15 . 1 1 49 49 GLY H H 50 8.367 8.367 8.497 -0.130 18234 3023 1 15 . 1 1 50 50 TYR N N 51 118.740 118.740 121.049 -2.309 18234 3024 1 15 . 1 1 50 50 TYR H H 51 8.126 8.126 8.302 -0.176 18234 3025 1 15 . 1 1 51 51 GLY N N 52 128.900 128.900 105.918 22.982 18234 3026 1 15 . 1 1 51 51 GLY H H 52 9.556 9.556 7.917 1.639 18234 3027 1 15 . 1 1 52 52 PHE N N 53 121.380 121.380 120.675 0.705 18234 3028 1 15 . 1 1 52 52 PHE H H 53 7.527 7.527 7.993 -0.466 18234 3029 1 15 . 1 1 53 53 VAL N N 54 127.150 127.150 121.452 5.698 18234 3030 1 15 . 1 1 53 53 VAL H H 54 8.246 8.246 8.205 0.041 18234 3031 1 15 . 1 1 54 54 ILE N N 55 128.130 128.130 118.746 9.384 18234 3032 1 15 . 1 1 54 54 ILE H H 55 9.235 9.235 8.179 1.056 18234 3033 1 15 . 1 1 55 55 SER N N 56 118.200 118.200 119.388 -1.188 18234 3034 1 15 . 1 1 55 55 SER H H 56 8.678 8.678 7.814 0.864 18234 3035 1 15 . 1 1 56 56 ASP N N 57 127.290 127.290 117.111 10.179 18234 3036 1 15 . 1 1 56 56 ASP H H 57 8.412 8.412 7.034 1.378 18234 3037 1 15 . 1 1 58 58 ASN N N 59 116.980 116.980 119.703 -2.723 18234 3038 1 15 . 1 1 58 58 ASN H H 59 8.716 8.716 7.978 0.738 18234 3039 1 15 . 1 1 61 61 ASN N N 62 112.140 112.140 118.923 -6.783 18234 3040 1 15 . 1 1 61 61 ASN H H 62 8.598 8.598 7.843 0.755 18234 3041 1 15 . 1 1 62 62 MET N N 63 122.950 122.950 119.564 3.386 18234 3042 1 15 . 1 1 62 62 MET H H 63 9.192 9.192 8.593 0.599 18234 3043 1 15 . 1 1 63 63 ASP N N 64 126.540 126.540 120.047 6.493 18234 3044 1 15 . 1 1 63 63 ASP H H 64 8.518 8.518 8.342 0.176 18234 3045 1 15 . 1 1 65 65 LEU N N 66 121.870 121.870 122.584 -0.714 18234 3046 1 15 . 1 1 65 65 LEU H H 66 7.733 7.733 8.465 -0.732 18234 3047 1 15 . 1 1 66 66 GLU N N 67 119.470 119.470 124.459 -4.989 18234 3048 1 15 . 1 1 66 66 GLU H H 67 8.085 8.085 8.205 -0.120 18234 3049 1 15 . 1 1 67 67 LEU N N 68 123.910 123.910 118.667 5.243 18234 3050 1 15 . 1 1 67 67 LEU H H 68 8.299 8.299 7.989 0.310 18234 3051 1 15 . 1 1 68 68 LEU N N 69 120.640 120.640 121.052 -0.412 18234 3052 1 15 . 1 1 68 68 LEU H H 69 8.249 8.249 7.675 0.574 18234 3053 1 15 . 1 1 69 69 LYS N N 70 116.080 116.080 120.257 -4.177 18234 3054 1 15 . 1 1 69 69 LYS H H 70 8.400 8.400 8.530 -0.130 18234 3055 1 15 . 1 1 70 70 THR N N 71 117.490 117.490 114.064 3.426 18234 3056 1 15 . 1 1 70 70 THR H H 71 8.028 8.028 7.743 0.285 18234 3057 1 15 . 1 1 71 71 ILE N N 72 123.640 123.640 120.568 3.072 18234 3058 1 15 . 1 1 71 71 ILE H H 72 8.459 8.459 7.512 0.947 18234 3059 1 15 . 1 1 72 72 ARG N N 73 113.350 113.350 118.812 -5.462 18234 3060 1 15 . 1 1 72 72 ARG H H 73 8.112 8.112 8.360 -0.248 18234 3061 1 15 . 1 1 73 73 ALA N N 74 118.900 118.900 122.508 -3.608 18234 3062 1 15 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 3063 1 15 . 1 1 74 74 ASP N N 75 121.870 121.870 120.583 1.287 18234 3064 1 15 . 1 1 74 74 ASP H H 75 7.399 7.399 7.810 -0.411 18234 3065 1 15 . 1 1 75 75 GLY N N 76 112.230 112.230 106.739 5.491 18234 3066 1 15 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 3067 1 15 . 1 1 76 76 ALA N N 77 121.970 121.970 119.499 2.471 18234 3068 1 15 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 3069 1 15 . 1 1 77 77 MET N N 78 116.180 116.180 117.349 -1.169 18234 3070 1 15 . 1 1 77 77 MET H H 78 8.477 8.477 8.077 0.400 18234 3071 1 15 . 1 1 78 78 SER N N 79 112.910 112.910 113.949 -1.039 18234 3072 1 15 . 1 1 78 78 SER H H 79 7.436 7.436 7.467 -0.031 18234 3073 1 15 . 1 1 79 79 ALA N N 80 123.080 123.080 121.772 1.308 18234 3074 1 15 . 1 1 79 79 ALA H H 80 8.246 8.246 8.045 0.201 18234 3075 1 15 . 1 1 80 80 LEU N N 81 124.130 124.130 120.480 3.650 18234 3076 1 15 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 3077 1 15 . 1 1 82 82 VAL N N 83 118.860 118.860 123.969 -5.109 18234 3078 1 15 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 3079 1 15 . 1 1 83 83 LEU N N 84 130.450 130.450 115.502 14.948 18234 3080 1 15 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 3081 1 15 . 1 1 84 84 MET N N 85 124.080 124.080 113.599 10.481 18234 3082 1 15 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 3083 1 15 . 1 1 85 85 VAL N N 86 124.810 124.810 122.643 2.167 18234 3084 1 15 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 3085 1 15 . 1 1 86 86 THR N N 87 116.560 116.560 114.522 2.038 18234 3086 1 15 . 1 1 86 86 THR H H 87 8.715 8.715 8.629 0.086 18234 3087 1 15 . 1 1 87 87 ALA N N 88 125.460 125.460 122.465 2.995 18234 3088 1 15 . 1 1 87 87 ALA H H 88 8.807 8.807 7.721 1.086 18234 3089 1 15 . 1 1 89 89 ALA N N 90 129.990 129.990 123.951 6.039 18234 3090 1 15 . 1 1 89 89 ALA H H 90 9.090 9.090 7.749 1.341 18234 3091 1 15 . 1 1 90 90 LYS N N 91 121.030 121.030 118.955 2.075 18234 3092 1 15 . 1 1 90 90 LYS H H 91 7.197 7.197 7.979 -0.782 18234 3093 1 15 . 1 1 92 92 GLU N N 93 116.280 116.280 119.463 -3.183 18234 3094 1 15 . 1 1 92 92 GLU H H 93 9.648 9.648 8.387 1.261 18234 3095 1 15 . 1 1 93 93 ASN N N 94 117.030 117.030 120.802 -3.772 18234 3096 1 15 . 1 1 93 93 ASN H H 94 7.116 7.116 8.378 -1.262 18234 3097 1 15 . 1 1 94 94 ILE N N 95 121.110 121.110 122.400 -1.290 18234 3098 1 15 . 1 1 94 94 ILE H H 95 7.546 7.546 8.137 -0.591 18234 3099 1 15 . 1 1 95 95 ILE N N 96 117.160 117.160 120.352 -3.192 18234 3100 1 15 . 1 1 95 95 ILE H H 96 8.172 8.172 8.117 0.055 18234 3101 1 15 . 1 1 96 96 ALA N N 97 120.060 120.060 122.319 -2.259 18234 3102 1 15 . 1 1 96 96 ALA H H 97 7.541 7.541 8.012 -0.471 18234 3103 1 15 . 1 1 97 97 ALA N N 98 119.150 119.150 122.960 -3.810 18234 3104 1 15 . 1 1 97 97 ALA H H 98 8.524 8.524 8.252 0.272 18234 3105 1 15 . 1 1 99 99 GLN N N 100 118.210 118.210 119.259 -1.049 18234 3106 1 15 . 1 1 99 99 GLN H H 100 8.974 8.974 7.668 1.306 18234 3107 1 15 . 1 1 100 100 ALA N N 101 117.990 117.990 122.151 -4.161 18234 3108 1 15 . 1 1 100 100 ALA H H 101 7.624 7.624 7.859 -0.235 18234 3109 1 15 . 1 1 102 102 ALA N N 103 123.640 123.640 120.650 2.990 18234 3110 1 15 . 1 1 102 102 ALA H H 103 8.726 8.726 8.155 0.571 18234 3111 1 15 . 1 1 103 103 SER N N 104 115.000 115.000 115.256 -0.256 18234 3112 1 15 . 1 1 103 103 SER H H 104 9.114 9.114 7.601 1.513 18234 3113 1 15 . 1 1 104 104 GLY N N 105 125.250 125.250 107.369 17.881 18234 3114 1 15 . 1 1 104 104 GLY H H 105 7.442 7.442 7.722 -0.280 18234 3115 1 15 . 1 1 105 105 TYR N N 106 118.860 118.860 118.386 0.474 18234 3116 1 15 . 1 1 105 105 TYR H H 106 8.524 8.524 8.144 0.380 18234 3117 1 15 . 1 1 107 107 VAL N N 108 127.360 127.360 117.006 10.354 18234 3118 1 15 . 1 1 107 107 VAL H H 108 8.089 8.089 8.066 0.023 18234 3119 1 15 . 1 1 108 108 LYS N N 109 123.480 123.480 120.052 3.428 18234 3120 1 15 . 1 1 108 108 LYS H H 109 8.376 8.376 7.743 0.633 18234 3121 1 15 . 1 1 111 111 THR N N 112 130.470 130.470 113.488 16.982 18234 3122 1 15 . 1 1 111 111 THR H H 112 7.916 7.916 8.310 -0.394 18234 3123 1 15 . 1 1 112 112 ALA N N 113 122.650 122.650 129.513 -6.863 18234 3124 1 15 . 1 1 112 112 ALA H H 113 9.188 9.188 8.773 0.415 18234 3125 1 15 . 1 1 113 113 ALA N N 114 118.690 118.690 121.432 -2.742 18234 3126 1 15 . 1 1 113 113 ALA H H 114 8.212 8.212 8.232 -0.020 18234 3127 1 15 . 1 1 115 115 LEU N N 116 121.770 121.770 125.039 -3.269 18234 3128 1 15 . 1 1 115 115 LEU H H 116 8.235 8.235 7.943 0.292 18234 3129 1 15 . 1 1 116 116 GLU N N 117 119.060 119.060 118.794 0.266 18234 3130 1 15 . 1 1 116 116 GLU H H 117 8.857 8.857 8.181 0.676 18234 3131 1 15 . 1 1 117 117 GLU N N 118 117.750 117.750 121.484 -3.734 18234 3132 1 15 . 1 1 117 117 GLU H H 118 7.670 7.670 8.407 -0.737 18234 3133 1 15 . 1 1 119 119 LEU N N 120 118.400 118.400 120.767 -2.367 18234 3134 1 15 . 1 1 119 119 LEU H H 120 8.543 8.543 7.942 0.601 18234 3135 1 15 . 1 1 120 120 ASN N N 121 115.130 115.130 118.587 -3.457 18234 3136 1 15 . 1 1 120 120 ASN H H 121 8.605 8.605 8.009 0.596 18234 3137 1 15 . 1 1 121 121 LYS N N 122 119.730 119.730 120.564 -0.834 18234 3138 1 15 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 3139 1 15 . 1 1 122 122 ILE N N 123 120.980 120.980 117.713 3.267 18234 3140 1 15 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.770 18234 3141 1 15 . 1 1 123 123 PHE N N 124 117.660 117.660 117.046 0.614 18234 3142 1 15 . 1 1 123 123 PHE H H 124 9.111 9.111 8.188 0.923 18234 3143 1 15 . 1 1 124 124 GLU N N 125 119.190 119.190 120.160 -0.970 18234 3144 1 15 . 1 1 124 124 GLU H H 125 8.330 8.330 7.854 0.476 18234 3145 1 15 . 1 1 125 125 LYS N N 126 121.310 121.310 121.025 0.285 18234 3146 1 15 . 1 1 125 125 LYS H H 126 8.317 8.317 8.085 0.232 18234 3147 1 15 . 1 1 127 127 GLY N N 128 110.530 110.530 106.633 3.897 18234 3148 1 15 . 1 1 127 127 GLY H H 128 7.966 7.966 7.746 0.220 18234 3149 1 15 . 1 1 128 128 MET N N 129 124.430 124.430 118.181 6.249 18234 3150 1 15 . 1 1 128 128 MET H H 129 8.432 8.432 8.191 0.241 18234 3151 1 16 . 1 1 2 2 ASP N N 3 121.390 121.390 122.425 -1.035 18234 3152 1 16 . 1 1 2 2 ASP H H 3 8.589 8.589 8.207 0.382 18234 3153 1 16 . 1 1 3 3 LYS N N 4 122.470 122.470 125.580 -3.110 18234 3154 1 16 . 1 1 3 3 LYS H H 4 8.529 8.529 8.957 -0.427 18234 3155 1 16 . 1 1 4 4 GLU N N 5 119.020 119.020 114.256 4.764 18234 3156 1 16 . 1 1 4 4 GLU H H 5 8.702 8.702 8.263 0.439 18234 3157 1 16 . 1 1 5 5 LEU N N 6 124.230 124.230 123.400 0.830 18234 3158 1 16 . 1 1 5 5 LEU H H 6 7.530 7.530 7.915 -0.385 18234 3159 1 16 . 1 1 6 6 LYS N N 7 126.090 126.090 122.972 3.118 18234 3160 1 16 . 1 1 6 6 LYS H H 7 8.486 8.486 8.256 0.230 18234 3161 1 16 . 1 1 7 7 PHE N N 8 128.540 128.540 119.316 9.224 18234 3162 1 16 . 1 1 7 7 PHE H H 8 9.206 9.206 8.258 0.948 18234 3163 1 16 . 1 1 8 8 LEU N N 9 121.920 121.920 122.327 -0.407 18234 3164 1 16 . 1 1 8 8 LEU H H 9 8.827 8.827 7.360 1.467 18234 3165 1 16 . 1 1 9 9 VAL N N 10 127.280 127.280 119.404 7.876 18234 3166 1 16 . 1 1 9 9 VAL H H 10 8.983 8.983 8.666 0.317 18234 3167 1 16 . 1 1 10 10 VAL N N 11 127.250 127.250 119.777 7.473 18234 3168 1 16 . 1 1 10 10 VAL H H 11 9.251 9.251 8.461 0.790 18234 3169 1 16 . 1 1 11 11 ASP N N 12 123.770 123.770 123.742 0.028 18234 3170 1 16 . 1 1 11 11 ASP H H 12 8.144 8.144 7.692 0.452 18234 3171 1 16 . 1 1 12 12 ASP N N 13 124.940 124.940 119.112 5.828 18234 3172 1 16 . 1 1 12 12 ASP H H 13 9.709 9.709 8.800 0.909 18234 3173 1 16 . 1 1 14 14 SER N N 15 126.800 126.800 116.135 10.665 18234 3174 1 16 . 1 1 14 14 SER H H 15 9.493 9.493 8.045 1.448 18234 3175 1 16 . 1 1 15 15 THR N N 16 116.700 116.700 114.467 2.233 18234 3176 1 16 . 1 1 15 15 THR H H 16 7.372 7.372 8.572 -1.200 18234 3177 1 16 . 1 1 16 16 MET N N 17 119.000 119.000 118.065 0.935 18234 3178 1 16 . 1 1 16 16 MET H H 17 6.326 6.326 7.810 -1.484 18234 3179 1 16 . 1 1 17 17 ARG N N 18 116.670 116.670 119.927 -3.257 18234 3180 1 16 . 1 1 17 17 ARG H H 18 7.515 7.515 7.742 -0.227 18234 3181 1 16 . 1 1 18 18 ARG N N 19 116.980 116.980 119.431 -2.451 18234 3182 1 16 . 1 1 18 18 ARG H H 19 7.638 7.638 8.582 -0.944 18234 3183 1 16 . 1 1 19 19 ILE N N 20 120.790 120.790 118.741 2.049 18234 3184 1 16 . 1 1 19 19 ILE H H 20 7.789 7.789 8.270 -0.481 18234 3185 1 16 . 1 1 20 20 VAL N N 21 119.340 119.340 120.130 -0.790 18234 3186 1 16 . 1 1 20 20 VAL H H 21 8.389 8.389 8.077 0.312 18234 3187 1 16 . 1 1 21 21 ARG N N 22 119.430 119.430 119.313 0.117 18234 3188 1 16 . 1 1 21 21 ARG H H 22 8.622 8.622 8.076 0.546 18234 3189 1 16 . 1 1 23 23 LEU N N 24 123.390 123.390 120.548 2.842 18234 3190 1 16 . 1 1 23 23 LEU H H 24 8.490 8.490 7.983 0.507 18234 3191 1 16 . 1 1 25 25 LYS N N 26 120.620 120.620 120.094 0.526 18234 3192 1 16 . 1 1 25 25 LYS H H 26 7.932 7.932 7.955 -0.023 18234 3193 1 16 . 1 1 26 26 GLU N N 27 122.290 122.290 118.892 3.398 18234 3194 1 16 . 1 1 26 26 GLU H H 27 7.985 7.985 8.460 -0.475 18234 3195 1 16 . 1 1 27 27 LEU N N 28 117.210 117.210 117.133 0.077 18234 3196 1 16 . 1 1 27 27 LEU H H 28 7.431 7.431 8.155 -0.724 18234 3197 1 16 . 1 1 28 28 GLY N N 29 128.170 128.170 104.348 23.822 18234 3198 1 16 . 1 1 28 28 GLY H H 29 7.735 7.735 7.644 0.091 18234 3199 1 16 . 1 1 29 29 PHE N N 30 121.140 121.140 119.908 1.232 18234 3200 1 16 . 1 1 29 29 PHE H H 30 8.188 8.188 7.414 0.774 18234 3201 1 16 . 1 1 30 30 ASN N N 31 118.220 118.220 122.957 -4.737 18234 3202 1 16 . 1 1 30 30 ASN H H 31 8.305 8.305 8.604 -0.299 18234 3203 1 16 . 1 1 32 32 VAL N N 33 122.030 122.030 114.885 7.145 18234 3204 1 16 . 1 1 32 32 VAL H H 33 7.522 7.522 8.721 -1.199 18234 3205 1 16 . 1 1 33 33 GLU N N 34 126.880 126.880 119.525 7.355 18234 3206 1 16 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 3207 1 16 . 1 1 35 35 ALA N N 36 120.500 120.500 126.514 -6.014 18234 3208 1 16 . 1 1 35 35 ALA H H 36 8.878 8.878 8.100 0.778 18234 3209 1 16 . 1 1 36 36 GLU N N 37 117.420 117.420 127.605 -10.185 18234 3210 1 16 . 1 1 36 36 GLU H H 37 9.476 9.476 8.920 0.556 18234 3211 1 16 . 1 1 37 37 ASP N N 38 131.500 131.500 117.609 13.891 18234 3212 1 16 . 1 1 37 37 ASP H H 38 7.450 7.450 8.207 -0.757 18234 3213 1 16 . 1 1 38 38 GLY N N 39 124.390 124.390 108.190 16.200 18234 3214 1 16 . 1 1 38 38 GLY H H 39 8.148 8.148 7.750 0.398 18234 3215 1 16 . 1 1 39 39 VAL N N 40 122.620 122.620 120.006 2.614 18234 3216 1 16 . 1 1 39 39 VAL H H 40 7.962 7.962 8.057 -0.095 18234 3217 1 16 . 1 1 40 40 ASP N N 41 121.110 121.110 119.034 2.076 18234 3218 1 16 . 1 1 40 40 ASP H H 41 8.518 8.518 8.285 0.233 18234 3219 1 16 . 1 1 41 41 ALA N N 42 116.970 116.970 122.653 -5.683 18234 3220 1 16 . 1 1 41 41 ALA H H 42 8.337 8.337 7.309 1.028 18234 3221 1 16 . 1 1 42 42 LEU N N 43 118.280 118.280 120.044 -1.764 18234 3222 1 16 . 1 1 42 42 LEU H H 43 8.121 8.121 7.503 0.618 18234 3223 1 16 . 1 1 45 45 LEU N N 46 118.530 118.530 120.352 -1.822 18234 3224 1 16 . 1 1 45 45 LEU H H 46 8.748 8.748 8.045 0.703 18234 3225 1 16 . 1 1 46 46 GLN N N 47 116.820 116.820 118.618 -1.798 18234 3226 1 16 . 1 1 46 46 GLN H H 47 7.865 7.865 8.064 -0.199 18234 3227 1 16 . 1 1 47 47 ALA N N 48 120.460 120.460 122.732 -2.272 18234 3228 1 16 . 1 1 47 47 ALA H H 48 7.611 7.611 8.262 -0.651 18234 3229 1 16 . 1 1 48 48 GLY N N 49 126.280 126.280 108.643 17.637 18234 3230 1 16 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 3231 1 16 . 1 1 49 49 GLY N N 50 125.810 125.810 110.953 14.857 18234 3232 1 16 . 1 1 49 49 GLY H H 50 8.367 8.367 8.473 -0.106 18234 3233 1 16 . 1 1 50 50 TYR N N 51 118.740 118.740 121.028 -2.288 18234 3234 1 16 . 1 1 50 50 TYR H H 51 8.126 8.126 8.292 -0.166 18234 3235 1 16 . 1 1 51 51 GLY N N 52 128.900 128.900 105.931 22.969 18234 3236 1 16 . 1 1 51 51 GLY H H 52 9.556 9.556 7.919 1.637 18234 3237 1 16 . 1 1 52 52 PHE N N 53 121.380 121.380 120.705 0.675 18234 3238 1 16 . 1 1 52 52 PHE H H 53 7.527 7.527 8.002 -0.475 18234 3239 1 16 . 1 1 53 53 VAL N N 54 127.150 127.150 121.533 5.617 18234 3240 1 16 . 1 1 53 53 VAL H H 54 8.246 8.246 8.230 0.016 18234 3241 1 16 . 1 1 54 54 ILE N N 55 128.130 128.130 118.829 9.301 18234 3242 1 16 . 1 1 54 54 ILE H H 55 9.235 9.235 8.240 0.995 18234 3243 1 16 . 1 1 55 55 SER N N 56 118.200 118.200 119.337 -1.137 18234 3244 1 16 . 1 1 55 55 SER H H 56 8.678 8.678 7.882 0.796 18234 3245 1 16 . 1 1 56 56 ASP N N 57 127.290 127.290 117.559 9.731 18234 3246 1 16 . 1 1 56 56 ASP H H 57 8.412 8.412 7.228 1.184 18234 3247 1 16 . 1 1 58 58 ASN N N 59 116.980 116.980 120.265 -3.285 18234 3248 1 16 . 1 1 58 58 ASN H H 59 8.716 8.716 7.985 0.731 18234 3249 1 16 . 1 1 61 61 ASN N N 62 112.140 112.140 119.259 -7.119 18234 3250 1 16 . 1 1 61 61 ASN H H 62 8.598 8.598 7.854 0.744 18234 3251 1 16 . 1 1 62 62 MET N N 63 122.950 122.950 119.792 3.158 18234 3252 1 16 . 1 1 62 62 MET H H 63 9.192 9.192 8.586 0.606 18234 3253 1 16 . 1 1 63 63 ASP N N 64 126.540 126.540 119.404 7.136 18234 3254 1 16 . 1 1 63 63 ASP H H 64 8.518 8.518 8.308 0.210 18234 3255 1 16 . 1 1 65 65 LEU N N 66 121.870 121.870 122.293 -0.423 18234 3256 1 16 . 1 1 65 65 LEU H H 66 7.733 7.733 8.497 -0.764 18234 3257 1 16 . 1 1 66 66 GLU N N 67 119.470 119.470 124.448 -4.978 18234 3258 1 16 . 1 1 66 66 GLU H H 67 8.085 8.085 8.208 -0.123 18234 3259 1 16 . 1 1 67 67 LEU N N 68 123.910 123.910 118.953 4.957 18234 3260 1 16 . 1 1 67 67 LEU H H 68 8.299 8.299 8.025 0.274 18234 3261 1 16 . 1 1 68 68 LEU N N 69 120.640 120.640 121.064 -0.424 18234 3262 1 16 . 1 1 68 68 LEU H H 69 8.249 8.249 7.677 0.572 18234 3263 1 16 . 1 1 69 69 LYS N N 70 116.080 116.080 120.326 -4.246 18234 3264 1 16 . 1 1 69 69 LYS H H 70 8.400 8.400 8.490 -0.090 18234 3265 1 16 . 1 1 70 70 THR N N 71 117.490 117.490 113.924 3.566 18234 3266 1 16 . 1 1 70 70 THR H H 71 8.028 8.028 7.701 0.327 18234 3267 1 16 . 1 1 71 71 ILE N N 72 123.640 123.640 120.260 3.380 18234 3268 1 16 . 1 1 71 71 ILE H H 72 8.459 8.459 7.521 0.938 18234 3269 1 16 . 1 1 72 72 ARG N N 73 113.350 113.350 118.809 -5.459 18234 3270 1 16 . 1 1 72 72 ARG H H 73 8.112 8.112 8.353 -0.241 18234 3271 1 16 . 1 1 73 73 ALA N N 74 118.900 118.900 122.504 -3.604 18234 3272 1 16 . 1 1 73 73 ALA H H 74 7.286 7.286 8.238 -0.952 18234 3273 1 16 . 1 1 74 74 ASP N N 75 121.870 121.870 120.599 1.271 18234 3274 1 16 . 1 1 74 74 ASP H H 75 7.399 7.399 7.810 -0.411 18234 3275 1 16 . 1 1 75 75 GLY N N 76 112.230 112.230 106.752 5.478 18234 3276 1 16 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 3277 1 16 . 1 1 76 76 ALA N N 77 121.970 121.970 119.502 2.468 18234 3278 1 16 . 1 1 76 76 ALA H H 77 8.558 8.558 7.805 0.753 18234 3279 1 16 . 1 1 77 77 MET N N 78 116.180 116.180 117.360 -1.180 18234 3280 1 16 . 1 1 77 77 MET H H 78 8.477 8.477 8.075 0.402 18234 3281 1 16 . 1 1 78 78 SER N N 79 112.910 112.910 113.952 -1.042 18234 3282 1 16 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 3283 1 16 . 1 1 79 79 ALA N N 80 123.080 123.080 121.773 1.307 18234 3284 1 16 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 3285 1 16 . 1 1 80 80 LEU N N 81 124.130 124.130 120.477 3.653 18234 3286 1 16 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 3287 1 16 . 1 1 82 82 VAL N N 83 118.860 118.860 123.972 -5.112 18234 3288 1 16 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 3289 1 16 . 1 1 83 83 LEU N N 84 130.450 130.450 115.469 14.981 18234 3290 1 16 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 3291 1 16 . 1 1 84 84 MET N N 85 124.080 124.080 113.591 10.489 18234 3292 1 16 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 3293 1 16 . 1 1 85 85 VAL N N 86 124.810 124.810 122.644 2.166 18234 3294 1 16 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 3295 1 16 . 1 1 86 86 THR N N 87 116.560 116.560 114.528 2.032 18234 3296 1 16 . 1 1 86 86 THR H H 87 8.715 8.715 8.640 0.075 18234 3297 1 16 . 1 1 87 87 ALA N N 88 125.460 125.460 122.456 3.004 18234 3298 1 16 . 1 1 87 87 ALA H H 88 8.807 8.807 7.722 1.085 18234 3299 1 16 . 1 1 89 89 ALA N N 90 129.990 129.990 123.944 6.046 18234 3300 1 16 . 1 1 89 89 ALA H H 90 9.090 9.090 7.748 1.342 18234 3301 1 16 . 1 1 90 90 LYS N N 91 121.030 121.030 118.971 2.059 18234 3302 1 16 . 1 1 90 90 LYS H H 91 7.197 7.197 7.974 -0.777 18234 3303 1 16 . 1 1 92 92 GLU N N 93 116.280 116.280 119.456 -3.176 18234 3304 1 16 . 1 1 92 92 GLU H H 93 9.648 9.648 8.386 1.262 18234 3305 1 16 . 1 1 93 93 ASN N N 94 117.030 117.030 120.810 -3.780 18234 3306 1 16 . 1 1 93 93 ASN H H 94 7.116 7.116 8.378 -1.262 18234 3307 1 16 . 1 1 94 94 ILE N N 95 121.110 121.110 122.388 -1.278 18234 3308 1 16 . 1 1 94 94 ILE H H 95 7.546 7.546 8.137 -0.591 18234 3309 1 16 . 1 1 95 95 ILE N N 96 117.160 117.160 120.352 -3.192 18234 3310 1 16 . 1 1 95 95 ILE H H 96 8.172 8.172 8.116 0.056 18234 3311 1 16 . 1 1 96 96 ALA N N 97 120.060 120.060 122.313 -2.253 18234 3312 1 16 . 1 1 96 96 ALA H H 97 7.541 7.541 8.006 -0.465 18234 3313 1 16 . 1 1 97 97 ALA N N 98 119.150 119.150 122.964 -3.814 18234 3314 1 16 . 1 1 97 97 ALA H H 98 8.524 8.524 8.256 0.268 18234 3315 1 16 . 1 1 99 99 GLN N N 100 118.210 118.210 119.245 -1.035 18234 3316 1 16 . 1 1 99 99 GLN H H 100 8.974 8.974 7.666 1.308 18234 3317 1 16 . 1 1 100 100 ALA N N 101 117.990 117.990 122.148 -4.158 18234 3318 1 16 . 1 1 100 100 ALA H H 101 7.624 7.624 7.858 -0.234 18234 3319 1 16 . 1 1 102 102 ALA N N 103 123.640 123.640 120.668 2.972 18234 3320 1 16 . 1 1 102 102 ALA H H 103 8.726 8.726 8.159 0.567 18234 3321 1 16 . 1 1 103 103 SER N N 104 115.000 115.000 115.281 -0.281 18234 3322 1 16 . 1 1 103 103 SER H H 104 9.114 9.114 7.617 1.497 18234 3323 1 16 . 1 1 104 104 GLY N N 105 125.250 125.250 107.427 17.823 18234 3324 1 16 . 1 1 104 104 GLY H H 105 7.442 7.442 7.774 -0.332 18234 3325 1 16 . 1 1 105 105 TYR N N 106 118.860 118.860 118.453 0.407 18234 3326 1 16 . 1 1 105 105 TYR H H 106 8.524 8.524 8.192 0.332 18234 3327 1 16 . 1 1 107 107 VAL N N 108 127.360 127.360 117.036 10.324 18234 3328 1 16 . 1 1 107 107 VAL H H 108 8.089 8.089 8.117 -0.028 18234 3329 1 16 . 1 1 108 108 LYS N N 109 123.480 123.480 120.077 3.403 18234 3330 1 16 . 1 1 108 108 LYS H H 109 8.376 8.376 7.777 0.599 18234 3331 1 16 . 1 1 111 111 THR N N 112 130.470 130.470 113.527 16.943 18234 3332 1 16 . 1 1 111 111 THR H H 112 7.916 7.916 8.318 -0.402 18234 3333 1 16 . 1 1 112 112 ALA N N 113 122.650 122.650 129.511 -6.861 18234 3334 1 16 . 1 1 112 112 ALA H H 113 9.188 9.188 8.776 0.412 18234 3335 1 16 . 1 1 113 113 ALA N N 114 118.690 118.690 121.431 -2.741 18234 3336 1 16 . 1 1 113 113 ALA H H 114 8.212 8.212 8.235 -0.023 18234 3337 1 16 . 1 1 115 115 LEU N N 116 121.770 121.770 124.746 -2.976 18234 3338 1 16 . 1 1 115 115 LEU H H 116 8.235 8.235 7.952 0.283 18234 3339 1 16 . 1 1 116 116 GLU N N 117 119.060 119.060 118.783 0.277 18234 3340 1 16 . 1 1 116 116 GLU H H 117 8.857 8.857 8.177 0.680 18234 3341 1 16 . 1 1 117 117 GLU N N 118 117.750 117.750 121.492 -3.742 18234 3342 1 16 . 1 1 117 117 GLU H H 118 7.670 7.670 8.407 -0.737 18234 3343 1 16 . 1 1 119 119 LEU N N 120 118.400 118.400 120.763 -2.363 18234 3344 1 16 . 1 1 119 119 LEU H H 120 8.543 8.543 7.942 0.601 18234 3345 1 16 . 1 1 120 120 ASN N N 121 115.130 115.130 118.596 -3.466 18234 3346 1 16 . 1 1 120 120 ASN H H 121 8.605 8.605 8.010 0.595 18234 3347 1 16 . 1 1 121 121 LYS N N 122 119.730 119.730 120.560 -0.830 18234 3348 1 16 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 3349 1 16 . 1 1 122 122 ILE N N 123 120.980 120.980 117.722 3.258 18234 3350 1 16 . 1 1 122 122 ILE H H 123 7.385 7.385 8.149 -0.764 18234 3351 1 16 . 1 1 123 123 PHE N N 124 117.660 117.660 117.044 0.616 18234 3352 1 16 . 1 1 123 123 PHE H H 124 9.111 9.111 8.199 0.912 18234 3353 1 16 . 1 1 124 124 GLU N N 125 119.190 119.190 120.153 -0.963 18234 3354 1 16 . 1 1 124 124 GLU H H 125 8.330 8.330 7.856 0.474 18234 3355 1 16 . 1 1 125 125 LYS N N 126 121.310 121.310 121.033 0.277 18234 3356 1 16 . 1 1 125 125 LYS H H 126 8.317 8.317 8.086 0.231 18234 3357 1 16 . 1 1 127 127 GLY N N 128 110.530 110.530 106.628 3.902 18234 3358 1 16 . 1 1 127 127 GLY H H 128 7.966 7.966 7.748 0.218 18234 3359 1 16 . 1 1 128 128 MET N N 129 124.430 124.430 118.181 6.249 18234 3360 1 16 . 1 1 128 128 MET H H 129 8.432 8.432 8.191 0.241 18234 3361 1 17 . 1 1 2 2 ASP N N 3 121.390 121.390 123.460 -2.070 18234 3362 1 17 . 1 1 2 2 ASP H H 3 8.589 8.589 8.494 0.095 18234 3363 1 17 . 1 1 3 3 LYS N N 4 122.470 122.470 127.328 -4.858 18234 3364 1 17 . 1 1 3 3 LYS H H 4 8.529 8.529 9.069 -0.540 18234 3365 1 17 . 1 1 4 4 GLU N N 5 119.020 119.020 114.993 4.027 18234 3366 1 17 . 1 1 4 4 GLU H H 5 8.702 8.702 7.641 1.061 18234 3367 1 17 . 1 1 5 5 LEU N N 6 124.230 124.230 123.887 0.343 18234 3368 1 17 . 1 1 5 5 LEU H H 6 7.530 7.530 7.502 0.028 18234 3369 1 17 . 1 1 6 6 LYS N N 7 126.090 126.090 120.831 5.259 18234 3370 1 17 . 1 1 6 6 LYS H H 7 8.486 8.486 8.283 0.203 18234 3371 1 17 . 1 1 7 7 PHE N N 8 128.540 128.540 116.103 12.437 18234 3372 1 17 . 1 1 7 7 PHE H H 8 9.206 9.206 6.438 2.768 18234 3373 1 17 . 1 1 8 8 LEU N N 9 121.920 121.920 122.526 -0.606 18234 3374 1 17 . 1 1 8 8 LEU H H 9 8.827 8.827 8.127 0.700 18234 3375 1 17 . 1 1 9 9 VAL N N 10 127.280 127.280 119.383 7.897 18234 3376 1 17 . 1 1 9 9 VAL H H 10 8.983 8.983 8.481 0.502 18234 3377 1 17 . 1 1 10 10 VAL N N 11 127.250 127.250 120.244 7.006 18234 3378 1 17 . 1 1 10 10 VAL H H 11 9.251 9.251 8.412 0.839 18234 3379 1 17 . 1 1 11 11 ASP N N 12 123.770 123.770 123.941 -0.171 18234 3380 1 17 . 1 1 11 11 ASP H H 12 8.144 8.144 7.558 0.586 18234 3381 1 17 . 1 1 12 12 ASP N N 13 124.940 124.940 118.744 6.196 18234 3382 1 17 . 1 1 12 12 ASP H H 13 9.709 9.709 8.863 0.846 18234 3383 1 17 . 1 1 14 14 SER N N 15 126.800 126.800 115.809 10.991 18234 3384 1 17 . 1 1 14 14 SER H H 15 9.493 9.493 8.114 1.379 18234 3385 1 17 . 1 1 15 15 THR N N 16 116.700 116.700 113.901 2.799 18234 3386 1 17 . 1 1 15 15 THR H H 16 7.372 7.372 8.491 -1.119 18234 3387 1 17 . 1 1 16 16 MET N N 17 119.000 119.000 118.104 0.896 18234 3388 1 17 . 1 1 16 16 MET H H 17 6.326 6.326 7.863 -1.537 18234 3389 1 17 . 1 1 17 17 ARG N N 18 116.670 116.670 119.939 -3.269 18234 3390 1 17 . 1 1 17 17 ARG H H 18 7.515 7.515 7.758 -0.243 18234 3391 1 17 . 1 1 18 18 ARG N N 19 116.980 116.980 119.430 -2.450 18234 3392 1 17 . 1 1 18 18 ARG H H 19 7.638 7.638 8.583 -0.945 18234 3393 1 17 . 1 1 19 19 ILE N N 20 120.790 120.790 118.762 2.028 18234 3394 1 17 . 1 1 19 19 ILE H H 20 7.789 7.789 8.282 -0.493 18234 3395 1 17 . 1 1 20 20 VAL N N 21 119.340 119.340 120.124 -0.784 18234 3396 1 17 . 1 1 20 20 VAL H H 21 8.389 8.389 8.084 0.305 18234 3397 1 17 . 1 1 21 21 ARG N N 22 119.430 119.430 119.318 0.112 18234 3398 1 17 . 1 1 21 21 ARG H H 22 8.622 8.622 8.084 0.538 18234 3399 1 17 . 1 1 23 23 LEU N N 24 123.390 123.390 120.563 2.827 18234 3400 1 17 . 1 1 23 23 LEU H H 24 8.490 8.490 7.992 0.498 18234 3401 1 17 . 1 1 25 25 LYS N N 26 120.620 120.620 120.099 0.521 18234 3402 1 17 . 1 1 25 25 LYS H H 26 7.932 7.932 7.957 -0.025 18234 3403 1 17 . 1 1 26 26 GLU N N 27 122.290 122.290 118.895 3.395 18234 3404 1 17 . 1 1 26 26 GLU H H 27 7.985 7.985 8.464 -0.479 18234 3405 1 17 . 1 1 27 27 LEU N N 28 117.210 117.210 117.151 0.059 18234 3406 1 17 . 1 1 27 27 LEU H H 28 7.431 7.431 8.159 -0.728 18234 3407 1 17 . 1 1 28 28 GLY N N 29 128.170 128.170 104.346 23.824 18234 3408 1 17 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 3409 1 17 . 1 1 29 29 PHE N N 30 121.140 121.140 120.005 1.135 18234 3410 1 17 . 1 1 29 29 PHE H H 30 8.188 8.188 7.423 0.765 18234 3411 1 17 . 1 1 30 30 ASN N N 31 118.220 118.220 122.945 -4.725 18234 3412 1 17 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 3413 1 17 . 1 1 32 32 VAL N N 33 122.030 122.030 114.902 7.128 18234 3414 1 17 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 3415 1 17 . 1 1 33 33 GLU N N 34 126.880 126.880 119.513 7.367 18234 3416 1 17 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 3417 1 17 . 1 1 35 35 ALA N N 36 120.500 120.500 126.401 -5.901 18234 3418 1 17 . 1 1 35 35 ALA H H 36 8.878 8.878 8.137 0.741 18234 3419 1 17 . 1 1 36 36 GLU N N 37 117.420 117.420 127.603 -10.183 18234 3420 1 17 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 3421 1 17 . 1 1 37 37 ASP N N 38 131.500 131.500 117.548 13.952 18234 3422 1 17 . 1 1 37 37 ASP H H 38 7.450 7.450 8.223 -0.773 18234 3423 1 17 . 1 1 38 38 GLY N N 39 124.390 124.390 108.561 15.829 18234 3424 1 17 . 1 1 38 38 GLY H H 39 8.148 8.148 7.728 0.420 18234 3425 1 17 . 1 1 39 39 VAL N N 40 122.620 122.620 119.760 2.860 18234 3426 1 17 . 1 1 39 39 VAL H H 40 7.962 7.962 8.009 -0.047 18234 3427 1 17 . 1 1 40 40 ASP N N 41 121.110 121.110 118.718 2.392 18234 3428 1 17 . 1 1 40 40 ASP H H 41 8.518 8.518 8.321 0.197 18234 3429 1 17 . 1 1 41 41 ALA N N 42 116.970 116.970 122.581 -5.611 18234 3430 1 17 . 1 1 41 41 ALA H H 42 8.337 8.337 7.329 1.008 18234 3431 1 17 . 1 1 42 42 LEU N N 43 118.280 118.280 120.052 -1.772 18234 3432 1 17 . 1 1 42 42 LEU H H 43 8.121 8.121 7.502 0.619 18234 3433 1 17 . 1 1 45 45 LEU N N 46 118.530 118.530 120.577 -2.047 18234 3434 1 17 . 1 1 45 45 LEU H H 46 8.748 8.748 8.059 0.689 18234 3435 1 17 . 1 1 46 46 GLN N N 47 116.820 116.820 118.647 -1.827 18234 3436 1 17 . 1 1 46 46 GLN H H 47 7.865 7.865 8.071 -0.206 18234 3437 1 17 . 1 1 47 47 ALA N N 48 120.460 120.460 122.726 -2.266 18234 3438 1 17 . 1 1 47 47 ALA H H 48 7.611 7.611 8.265 -0.654 18234 3439 1 17 . 1 1 48 48 GLY N N 49 126.280 126.280 108.653 17.627 18234 3440 1 17 . 1 1 48 48 GLY H H 49 7.574 7.574 8.192 -0.618 18234 3441 1 17 . 1 1 49 49 GLY N N 50 125.810 125.810 111.128 14.682 18234 3442 1 17 . 1 1 49 49 GLY H H 50 8.367 8.367 8.513 -0.146 18234 3443 1 17 . 1 1 50 50 TYR N N 51 118.740 118.740 121.027 -2.287 18234 3444 1 17 . 1 1 50 50 TYR H H 51 8.126 8.126 8.300 -0.174 18234 3445 1 17 . 1 1 51 51 GLY N N 52 128.900 128.900 105.921 22.979 18234 3446 1 17 . 1 1 51 51 GLY H H 52 9.556 9.556 7.881 1.675 18234 3447 1 17 . 1 1 52 52 PHE N N 53 121.380 121.380 120.722 0.658 18234 3448 1 17 . 1 1 52 52 PHE H H 53 7.527 7.527 7.910 -0.383 18234 3449 1 17 . 1 1 53 53 VAL N N 54 127.150 127.150 121.161 5.989 18234 3450 1 17 . 1 1 53 53 VAL H H 54 8.246 8.246 8.032 0.214 18234 3451 1 17 . 1 1 54 54 ILE N N 55 128.130 128.130 118.325 9.805 18234 3452 1 17 . 1 1 54 54 ILE H H 55 9.235 9.235 8.207 1.028 18234 3453 1 17 . 1 1 55 55 SER N N 56 118.200 118.200 119.024 -0.824 18234 3454 1 17 . 1 1 55 55 SER H H 56 8.678 8.678 7.886 0.792 18234 3455 1 17 . 1 1 56 56 ASP N N 57 127.290 127.290 118.400 8.890 18234 3456 1 17 . 1 1 56 56 ASP H H 57 8.412 8.412 6.941 1.471 18234 3457 1 17 . 1 1 58 58 ASN N N 59 116.980 116.980 120.382 -3.402 18234 3458 1 17 . 1 1 58 58 ASN H H 59 8.716 8.716 8.497 0.219 18234 3459 1 17 . 1 1 61 61 ASN N N 62 112.140 112.140 118.781 -6.641 18234 3460 1 17 . 1 1 61 61 ASN H H 62 8.598 8.598 7.828 0.770 18234 3461 1 17 . 1 1 62 62 MET N N 63 122.950 122.950 119.873 3.077 18234 3462 1 17 . 1 1 62 62 MET H H 63 9.192 9.192 8.585 0.607 18234 3463 1 17 . 1 1 63 63 ASP N N 64 126.540 126.540 119.534 7.006 18234 3464 1 17 . 1 1 63 63 ASP H H 64 8.518 8.518 8.310 0.208 18234 3465 1 17 . 1 1 65 65 LEU N N 66 121.870 121.870 122.129 -0.259 18234 3466 1 17 . 1 1 65 65 LEU H H 66 7.733 7.733 8.524 -0.791 18234 3467 1 17 . 1 1 66 66 GLU N N 67 119.470 119.470 124.462 -4.992 18234 3468 1 17 . 1 1 66 66 GLU H H 67 8.085 8.085 8.210 -0.125 18234 3469 1 17 . 1 1 67 67 LEU N N 68 123.910 123.910 118.954 4.956 18234 3470 1 17 . 1 1 67 67 LEU H H 68 8.299 8.299 8.031 0.268 18234 3471 1 17 . 1 1 68 68 LEU N N 69 120.640 120.640 121.059 -0.419 18234 3472 1 17 . 1 1 68 68 LEU H H 69 8.249 8.249 7.680 0.569 18234 3473 1 17 . 1 1 69 69 LYS N N 70 116.080 116.080 120.323 -4.243 18234 3474 1 17 . 1 1 69 69 LYS H H 70 8.400 8.400 8.483 -0.083 18234 3475 1 17 . 1 1 70 70 THR N N 71 117.490 117.490 113.917 3.573 18234 3476 1 17 . 1 1 70 70 THR H H 71 8.028 8.028 7.701 0.327 18234 3477 1 17 . 1 1 71 71 ILE N N 72 123.640 123.640 120.118 3.522 18234 3478 1 17 . 1 1 71 71 ILE H H 72 8.459 8.459 7.506 0.953 18234 3479 1 17 . 1 1 72 72 ARG N N 73 113.350 113.350 118.792 -5.442 18234 3480 1 17 . 1 1 72 72 ARG H H 73 8.112 8.112 8.361 -0.249 18234 3481 1 17 . 1 1 73 73 ALA N N 74 118.900 118.900 122.679 -3.779 18234 3482 1 17 . 1 1 73 73 ALA H H 74 7.286 7.286 8.296 -1.010 18234 3483 1 17 . 1 1 74 74 ASP N N 75 121.870 121.870 120.587 1.283 18234 3484 1 17 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 3485 1 17 . 1 1 75 75 GLY N N 76 112.230 112.230 106.760 5.470 18234 3486 1 17 . 1 1 75 75 GLY H H 76 8.728 8.728 8.218 0.510 18234 3487 1 17 . 1 1 76 76 ALA N N 77 121.970 121.970 119.500 2.470 18234 3488 1 17 . 1 1 76 76 ALA H H 77 8.558 8.558 7.808 0.750 18234 3489 1 17 . 1 1 77 77 MET N N 78 116.180 116.180 117.350 -1.170 18234 3490 1 17 . 1 1 77 77 MET H H 78 8.477 8.477 8.075 0.402 18234 3491 1 17 . 1 1 78 78 SER N N 79 112.910 112.910 113.956 -1.046 18234 3492 1 17 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 3493 1 17 . 1 1 79 79 ALA N N 80 123.080 123.080 121.776 1.304 18234 3494 1 17 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 3495 1 17 . 1 1 80 80 LEU N N 81 124.130 124.130 120.472 3.658 18234 3496 1 17 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 3497 1 17 . 1 1 82 82 VAL N N 83 118.860 118.860 123.984 -5.124 18234 3498 1 17 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 3499 1 17 . 1 1 83 83 LEU N N 84 130.450 130.450 115.508 14.942 18234 3500 1 17 . 1 1 83 83 LEU H H 84 9.135 9.135 7.928 1.207 18234 3501 1 17 . 1 1 84 84 MET N N 85 124.080 124.080 113.610 10.470 18234 3502 1 17 . 1 1 84 84 MET H H 85 7.855 7.855 8.546 -0.691 18234 3503 1 17 . 1 1 85 85 VAL N N 86 124.810 124.810 122.643 2.167 18234 3504 1 17 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 3505 1 17 . 1 1 86 86 THR N N 87 116.560 116.560 114.522 2.038 18234 3506 1 17 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 3507 1 17 . 1 1 87 87 ALA N N 88 125.460 125.460 122.453 3.007 18234 3508 1 17 . 1 1 87 87 ALA H H 88 8.807 8.807 7.724 1.083 18234 3509 1 17 . 1 1 89 89 ALA N N 90 129.990 129.990 123.954 6.036 18234 3510 1 17 . 1 1 89 89 ALA H H 90 9.090 9.090 7.753 1.337 18234 3511 1 17 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 3512 1 17 . 1 1 90 90 LYS H H 91 7.197 7.197 7.977 -0.780 18234 3513 1 17 . 1 1 92 92 GLU N N 93 116.280 116.280 119.460 -3.180 18234 3514 1 17 . 1 1 92 92 GLU H H 93 9.648 9.648 8.394 1.254 18234 3515 1 17 . 1 1 93 93 ASN N N 94 117.030 117.030 120.741 -3.711 18234 3516 1 17 . 1 1 93 93 ASN H H 94 7.116 7.116 8.346 -1.230 18234 3517 1 17 . 1 1 94 94 ILE N N 95 121.110 121.110 122.392 -1.282 18234 3518 1 17 . 1 1 94 94 ILE H H 95 7.546 7.546 8.142 -0.596 18234 3519 1 17 . 1 1 95 95 ILE N N 96 117.160 117.160 120.362 -3.202 18234 3520 1 17 . 1 1 95 95 ILE H H 96 8.172 8.172 8.120 0.052 18234 3521 1 17 . 1 1 96 96 ALA N N 97 120.060 120.060 122.326 -2.266 18234 3522 1 17 . 1 1 96 96 ALA H H 97 7.541 7.541 8.015 -0.474 18234 3523 1 17 . 1 1 97 97 ALA N N 98 119.150 119.150 122.961 -3.811 18234 3524 1 17 . 1 1 97 97 ALA H H 98 8.524 8.524 8.264 0.260 18234 3525 1 17 . 1 1 99 99 GLN N N 100 118.210 118.210 119.267 -1.057 18234 3526 1 17 . 1 1 99 99 GLN H H 100 8.974 8.974 7.678 1.296 18234 3527 1 17 . 1 1 100 100 ALA N N 101 117.990 117.990 122.175 -4.185 18234 3528 1 17 . 1 1 100 100 ALA H H 101 7.624 7.624 7.873 -0.249 18234 3529 1 17 . 1 1 102 102 ALA N N 103 123.640 123.640 120.650 2.990 18234 3530 1 17 . 1 1 102 102 ALA H H 103 8.726 8.726 8.166 0.560 18234 3531 1 17 . 1 1 103 103 SER N N 104 115.000 115.000 115.262 -0.262 18234 3532 1 17 . 1 1 103 103 SER H H 104 9.114 9.114 7.602 1.512 18234 3533 1 17 . 1 1 104 104 GLY N N 105 125.250 125.250 107.346 17.904 18234 3534 1 17 . 1 1 104 104 GLY H H 105 7.442 7.442 7.735 -0.293 18234 3535 1 17 . 1 1 105 105 TYR N N 106 118.860 118.860 118.364 0.496 18234 3536 1 17 . 1 1 105 105 TYR H H 106 8.524 8.524 8.072 0.452 18234 3537 1 17 . 1 1 107 107 VAL N N 108 127.360 127.360 116.971 10.389 18234 3538 1 17 . 1 1 107 107 VAL H H 108 8.089 8.089 8.031 0.058 18234 3539 1 17 . 1 1 108 108 LYS N N 109 123.480 123.480 119.986 3.494 18234 3540 1 17 . 1 1 108 108 LYS H H 109 8.376 8.376 7.678 0.698 18234 3541 1 17 . 1 1 111 111 THR N N 112 130.470 130.470 113.490 16.980 18234 3542 1 17 . 1 1 111 111 THR H H 112 7.916 7.916 8.302 -0.386 18234 3543 1 17 . 1 1 112 112 ALA N N 113 122.650 122.650 129.500 -6.850 18234 3544 1 17 . 1 1 112 112 ALA H H 113 9.188 9.188 8.761 0.427 18234 3545 1 17 . 1 1 113 113 ALA N N 114 118.690 118.690 121.422 -2.732 18234 3546 1 17 . 1 1 113 113 ALA H H 114 8.212 8.212 8.226 -0.014 18234 3547 1 17 . 1 1 115 115 LEU N N 116 121.770 121.770 125.210 -3.440 18234 3548 1 17 . 1 1 115 115 LEU H H 116 8.235 8.235 7.976 0.259 18234 3549 1 17 . 1 1 116 116 GLU N N 117 119.060 119.060 118.972 0.088 18234 3550 1 17 . 1 1 116 116 GLU H H 117 8.857 8.857 8.227 0.630 18234 3551 1 17 . 1 1 117 117 GLU N N 118 117.750 117.750 121.488 -3.738 18234 3552 1 17 . 1 1 117 117 GLU H H 118 7.670 7.670 8.404 -0.734 18234 3553 1 17 . 1 1 119 119 LEU N N 120 118.400 118.400 120.763 -2.363 18234 3554 1 17 . 1 1 119 119 LEU H H 120 8.543 8.543 7.942 0.601 18234 3555 1 17 . 1 1 120 120 ASN N N 121 115.130 115.130 118.596 -3.466 18234 3556 1 17 . 1 1 120 120 ASN H H 121 8.605 8.605 8.010 0.595 18234 3557 1 17 . 1 1 121 121 LYS N N 122 119.730 119.730 120.553 -0.823 18234 3558 1 17 . 1 1 121 121 LYS H H 122 7.585 7.585 7.920 -0.335 18234 3559 1 17 . 1 1 122 122 ILE N N 123 120.980 120.980 117.709 3.271 18234 3560 1 17 . 1 1 122 122 ILE H H 123 7.385 7.385 8.158 -0.773 18234 3561 1 17 . 1 1 123 123 PHE N N 124 117.660 117.660 116.966 0.694 18234 3562 1 17 . 1 1 123 123 PHE H H 124 9.111 9.111 8.233 0.878 18234 3563 1 17 . 1 1 124 124 GLU N N 125 119.190 119.190 120.161 -0.971 18234 3564 1 17 . 1 1 124 124 GLU H H 125 8.330 8.330 7.853 0.477 18234 3565 1 17 . 1 1 125 125 LYS N N 126 121.310 121.310 121.034 0.276 18234 3566 1 17 . 1 1 125 125 LYS H H 126 8.317 8.317 8.088 0.229 18234 3567 1 17 . 1 1 127 127 GLY N N 128 110.530 110.530 106.632 3.898 18234 3568 1 17 . 1 1 127 127 GLY H H 128 7.966 7.966 7.748 0.218 18234 3569 1 17 . 1 1 128 128 MET N N 129 124.430 124.430 118.170 6.260 18234 3570 1 17 . 1 1 128 128 MET H H 129 8.432 8.432 8.198 0.234 18234 3571 1 18 . 1 1 2 2 ASP N N 3 121.390 121.390 124.426 -3.036 18234 3572 1 18 . 1 1 2 2 ASP H H 3 8.589 8.589 8.574 0.015 18234 3573 1 18 . 1 1 3 3 LYS N N 4 122.470 122.470 123.970 -1.500 18234 3574 1 18 . 1 1 3 3 LYS H H 4 8.529 8.529 8.465 0.064 18234 3575 1 18 . 1 1 4 4 GLU N N 5 119.020 119.020 125.907 -6.887 18234 3576 1 18 . 1 1 4 4 GLU H H 5 8.702 8.702 9.027 -0.325 18234 3577 1 18 . 1 1 5 5 LEU N N 6 124.230 124.230 120.501 3.729 18234 3578 1 18 . 1 1 5 5 LEU H H 6 7.530 7.530 8.389 -0.859 18234 3579 1 18 . 1 1 6 6 LYS N N 7 126.090 126.090 120.988 5.102 18234 3580 1 18 . 1 1 6 6 LYS H H 7 8.486 8.486 8.047 0.439 18234 3581 1 18 . 1 1 7 7 PHE N N 8 128.540 128.540 118.511 10.029 18234 3582 1 18 . 1 1 7 7 PHE H H 8 9.206 9.206 6.758 2.448 18234 3583 1 18 . 1 1 8 8 LEU N N 9 121.920 121.920 122.172 -0.252 18234 3584 1 18 . 1 1 8 8 LEU H H 9 8.827 8.827 7.026 1.801 18234 3585 1 18 . 1 1 9 9 VAL N N 10 127.280 127.280 118.910 8.370 18234 3586 1 18 . 1 1 9 9 VAL H H 10 8.983 8.983 7.764 1.219 18234 3587 1 18 . 1 1 10 10 VAL N N 11 127.250 127.250 120.033 7.217 18234 3588 1 18 . 1 1 10 10 VAL H H 11 9.251 9.251 8.338 0.913 18234 3589 1 18 . 1 1 11 11 ASP N N 12 123.770 123.770 125.064 -1.294 18234 3590 1 18 . 1 1 11 11 ASP H H 12 8.144 8.144 7.576 0.568 18234 3591 1 18 . 1 1 12 12 ASP N N 13 124.940 124.940 118.397 6.543 18234 3592 1 18 . 1 1 12 12 ASP H H 13 9.709 9.709 8.420 1.289 18234 3593 1 18 . 1 1 14 14 SER N N 15 126.800 126.800 115.697 11.103 18234 3594 1 18 . 1 1 14 14 SER H H 15 9.493 9.493 8.106 1.387 18234 3595 1 18 . 1 1 15 15 THR N N 16 116.700 116.700 114.550 2.150 18234 3596 1 18 . 1 1 15 15 THR H H 16 7.372 7.372 8.823 -1.451 18234 3597 1 18 . 1 1 16 16 MET N N 17 119.000 119.000 118.116 0.884 18234 3598 1 18 . 1 1 16 16 MET H H 17 6.326 6.326 7.861 -1.535 18234 3599 1 18 . 1 1 17 17 ARG N N 18 116.670 116.670 119.952 -3.282 18234 3600 1 18 . 1 1 17 17 ARG H H 18 7.515 7.515 7.776 -0.261 18234 3601 1 18 . 1 1 18 18 ARG N N 19 116.980 116.980 119.477 -2.497 18234 3602 1 18 . 1 1 18 18 ARG H H 19 7.638 7.638 8.632 -0.994 18234 3603 1 18 . 1 1 19 19 ILE N N 20 120.790 120.790 118.756 2.034 18234 3604 1 18 . 1 1 19 19 ILE H H 20 7.789 7.789 8.308 -0.519 18234 3605 1 18 . 1 1 20 20 VAL N N 21 119.340 119.340 120.133 -0.793 18234 3606 1 18 . 1 1 20 20 VAL H H 21 8.389 8.389 8.085 0.304 18234 3607 1 18 . 1 1 21 21 ARG N N 22 119.430 119.430 119.326 0.104 18234 3608 1 18 . 1 1 21 21 ARG H H 22 8.622 8.622 8.089 0.533 18234 3609 1 18 . 1 1 23 23 LEU N N 24 123.390 123.390 120.552 2.838 18234 3610 1 18 . 1 1 23 23 LEU H H 24 8.490 8.490 7.991 0.499 18234 3611 1 18 . 1 1 25 25 LYS N N 26 120.620 120.620 120.202 0.418 18234 3612 1 18 . 1 1 25 25 LYS H H 26 7.932 7.932 7.967 -0.035 18234 3613 1 18 . 1 1 26 26 GLU N N 27 122.290 122.290 118.897 3.393 18234 3614 1 18 . 1 1 26 26 GLU H H 27 7.985 7.985 8.465 -0.480 18234 3615 1 18 . 1 1 27 27 LEU N N 28 117.210 117.210 117.149 0.061 18234 3616 1 18 . 1 1 27 27 LEU H H 28 7.431 7.431 8.157 -0.726 18234 3617 1 18 . 1 1 28 28 GLY N N 29 128.170 128.170 104.356 23.814 18234 3618 1 18 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 3619 1 18 . 1 1 29 29 PHE N N 30 121.140 121.140 120.119 1.021 18234 3620 1 18 . 1 1 29 29 PHE H H 30 8.188 8.188 7.416 0.772 18234 3621 1 18 . 1 1 30 30 ASN N N 31 118.220 118.220 122.977 -4.757 18234 3622 1 18 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 3623 1 18 . 1 1 32 32 VAL N N 33 122.030 122.030 114.892 7.138 18234 3624 1 18 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 3625 1 18 . 1 1 33 33 GLU N N 34 126.880 126.880 119.522 7.358 18234 3626 1 18 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 3627 1 18 . 1 1 35 35 ALA N N 36 120.500 120.500 126.148 -5.648 18234 3628 1 18 . 1 1 35 35 ALA H H 36 8.878 8.878 8.079 0.799 18234 3629 1 18 . 1 1 36 36 GLU N N 37 117.420 117.420 127.603 -10.183 18234 3630 1 18 . 1 1 36 36 GLU H H 37 9.476 9.476 8.923 0.553 18234 3631 1 18 . 1 1 37 37 ASP N N 38 131.500 131.500 117.577 13.923 18234 3632 1 18 . 1 1 37 37 ASP H H 38 7.450 7.450 8.174 -0.724 18234 3633 1 18 . 1 1 38 38 GLY N N 39 124.390 124.390 107.695 16.695 18234 3634 1 18 . 1 1 38 38 GLY H H 39 8.148 8.148 7.783 0.365 18234 3635 1 18 . 1 1 39 39 VAL N N 40 122.620 122.620 119.930 2.690 18234 3636 1 18 . 1 1 39 39 VAL H H 40 7.962 7.962 8.093 -0.131 18234 3637 1 18 . 1 1 40 40 ASP N N 41 121.110 121.110 119.013 2.097 18234 3638 1 18 . 1 1 40 40 ASP H H 41 8.518 8.518 8.333 0.185 18234 3639 1 18 . 1 1 41 41 ALA N N 42 116.970 116.970 122.769 -5.799 18234 3640 1 18 . 1 1 41 41 ALA H H 42 8.337 8.337 7.349 0.988 18234 3641 1 18 . 1 1 42 42 LEU N N 43 118.280 118.280 120.048 -1.768 18234 3642 1 18 . 1 1 42 42 LEU H H 43 8.121 8.121 7.511 0.610 18234 3643 1 18 . 1 1 45 45 LEU N N 46 118.530 118.530 120.742 -2.212 18234 3644 1 18 . 1 1 45 45 LEU H H 46 8.748 8.748 8.114 0.634 18234 3645 1 18 . 1 1 46 46 GLN N N 47 116.820 116.820 118.656 -1.836 18234 3646 1 18 . 1 1 46 46 GLN H H 47 7.865 7.865 8.079 -0.214 18234 3647 1 18 . 1 1 47 47 ALA N N 48 120.460 120.460 122.742 -2.282 18234 3648 1 18 . 1 1 47 47 ALA H H 48 7.611 7.611 8.277 -0.666 18234 3649 1 18 . 1 1 48 48 GLY N N 49 126.280 126.280 108.650 17.630 18234 3650 1 18 . 1 1 48 48 GLY H H 49 7.574 7.574 8.201 -0.627 18234 3651 1 18 . 1 1 49 49 GLY N N 50 125.810 125.810 111.337 14.473 18234 3652 1 18 . 1 1 49 49 GLY H H 50 8.367 8.367 8.516 -0.149 18234 3653 1 18 . 1 1 50 50 TYR N N 51 118.740 118.740 121.022 -2.282 18234 3654 1 18 . 1 1 50 50 TYR H H 51 8.126 8.126 8.299 -0.173 18234 3655 1 18 . 1 1 51 51 GLY N N 52 128.900 128.900 105.905 22.995 18234 3656 1 18 . 1 1 51 51 GLY H H 52 9.556 9.556 7.905 1.651 18234 3657 1 18 . 1 1 52 52 PHE N N 53 121.380 121.380 120.617 0.763 18234 3658 1 18 . 1 1 52 52 PHE H H 53 7.527 7.527 7.925 -0.398 18234 3659 1 18 . 1 1 53 53 VAL N N 54 127.150 127.150 121.411 5.739 18234 3660 1 18 . 1 1 53 53 VAL H H 54 8.246 8.246 8.103 0.143 18234 3661 1 18 . 1 1 54 54 ILE N N 55 128.130 128.130 118.645 9.485 18234 3662 1 18 . 1 1 54 54 ILE H H 55 9.235 9.235 8.214 1.021 18234 3663 1 18 . 1 1 55 55 SER N N 56 118.200 118.200 119.804 -1.604 18234 3664 1 18 . 1 1 55 55 SER H H 56 8.678 8.678 7.936 0.742 18234 3665 1 18 . 1 1 56 56 ASP N N 57 127.290 127.290 117.223 10.067 18234 3666 1 18 . 1 1 56 56 ASP H H 57 8.412 8.412 7.322 1.090 18234 3667 1 18 . 1 1 58 58 ASN N N 59 116.980 116.980 119.764 -2.784 18234 3668 1 18 . 1 1 58 58 ASN H H 59 8.716 8.716 8.049 0.667 18234 3669 1 18 . 1 1 61 61 ASN N N 62 112.140 112.140 118.909 -6.769 18234 3670 1 18 . 1 1 61 61 ASN H H 62 8.598 8.598 7.767 0.831 18234 3671 1 18 . 1 1 62 62 MET N N 63 122.950 122.950 120.116 2.834 18234 3672 1 18 . 1 1 62 62 MET H H 63 9.192 9.192 8.526 0.666 18234 3673 1 18 . 1 1 63 63 ASP N N 64 126.540 126.540 119.445 7.095 18234 3674 1 18 . 1 1 63 63 ASP H H 64 8.518 8.518 8.302 0.216 18234 3675 1 18 . 1 1 65 65 LEU N N 66 121.870 121.870 122.334 -0.464 18234 3676 1 18 . 1 1 65 65 LEU H H 66 7.733 7.733 8.498 -0.765 18234 3677 1 18 . 1 1 66 66 GLU N N 67 119.470 119.470 124.461 -4.991 18234 3678 1 18 . 1 1 66 66 GLU H H 67 8.085 8.085 8.211 -0.126 18234 3679 1 18 . 1 1 67 67 LEU N N 68 123.910 123.910 118.951 4.959 18234 3680 1 18 . 1 1 67 67 LEU H H 68 8.299 8.299 8.034 0.265 18234 3681 1 18 . 1 1 68 68 LEU N N 69 120.640 120.640 121.058 -0.418 18234 3682 1 18 . 1 1 68 68 LEU H H 69 8.249 8.249 7.677 0.572 18234 3683 1 18 . 1 1 69 69 LYS N N 70 116.080 116.080 120.187 -4.107 18234 3684 1 18 . 1 1 69 69 LYS H H 70 8.400 8.400 8.504 -0.104 18234 3685 1 18 . 1 1 70 70 THR N N 71 117.490 117.490 114.113 3.377 18234 3686 1 18 . 1 1 70 70 THR H H 71 8.028 8.028 7.728 0.300 18234 3687 1 18 . 1 1 71 71 ILE N N 72 123.640 123.640 120.376 3.264 18234 3688 1 18 . 1 1 71 71 ILE H H 72 8.459 8.459 7.505 0.954 18234 3689 1 18 . 1 1 72 72 ARG N N 73 113.350 113.350 118.809 -5.459 18234 3690 1 18 . 1 1 72 72 ARG H H 73 8.112 8.112 8.352 -0.240 18234 3691 1 18 . 1 1 73 73 ALA N N 74 118.900 118.900 122.498 -3.598 18234 3692 1 18 . 1 1 73 73 ALA H H 74 7.286 7.286 8.240 -0.954 18234 3693 1 18 . 1 1 74 74 ASP N N 75 121.870 121.870 120.592 1.278 18234 3694 1 18 . 1 1 74 74 ASP H H 75 7.399 7.399 7.811 -0.412 18234 3695 1 18 . 1 1 75 75 GLY N N 76 112.230 112.230 106.760 5.470 18234 3696 1 18 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 3697 1 18 . 1 1 76 76 ALA N N 77 121.970 121.970 119.494 2.476 18234 3698 1 18 . 1 1 76 76 ALA H H 77 8.558 8.558 7.807 0.751 18234 3699 1 18 . 1 1 77 77 MET N N 78 116.180 116.180 117.345 -1.165 18234 3700 1 18 . 1 1 77 77 MET H H 78 8.477 8.477 8.080 0.397 18234 3701 1 18 . 1 1 78 78 SER N N 79 112.910 112.910 113.963 -1.053 18234 3702 1 18 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 3703 1 18 . 1 1 79 79 ALA N N 80 123.080 123.080 121.776 1.304 18234 3704 1 18 . 1 1 79 79 ALA H H 80 8.246 8.246 8.046 0.200 18234 3705 1 18 . 1 1 80 80 LEU N N 81 124.130 124.130 120.472 3.658 18234 3706 1 18 . 1 1 80 80 LEU H H 81 7.816 7.816 7.388 0.428 18234 3707 1 18 . 1 1 82 82 VAL N N 83 118.860 118.860 123.995 -5.135 18234 3708 1 18 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 3709 1 18 . 1 1 83 83 LEU N N 84 130.450 130.450 115.495 14.955 18234 3710 1 18 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 3711 1 18 . 1 1 84 84 MET N N 85 124.080 124.080 113.604 10.476 18234 3712 1 18 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 3713 1 18 . 1 1 85 85 VAL N N 86 124.810 124.810 122.641 2.169 18234 3714 1 18 . 1 1 85 85 VAL H H 86 9.198 9.198 7.636 1.562 18234 3715 1 18 . 1 1 86 86 THR N N 87 116.560 116.560 114.526 2.034 18234 3716 1 18 . 1 1 86 86 THR H H 87 8.715 8.715 8.635 0.080 18234 3717 1 18 . 1 1 87 87 ALA N N 88 125.460 125.460 122.456 3.004 18234 3718 1 18 . 1 1 87 87 ALA H H 88 8.807 8.807 7.723 1.084 18234 3719 1 18 . 1 1 89 89 ALA N N 90 129.990 129.990 123.943 6.047 18234 3720 1 18 . 1 1 89 89 ALA H H 90 9.090 9.090 7.750 1.340 18234 3721 1 18 . 1 1 90 90 LYS N N 91 121.030 121.030 118.963 2.067 18234 3722 1 18 . 1 1 90 90 LYS H H 91 7.197 7.197 7.975 -0.778 18234 3723 1 18 . 1 1 92 92 GLU N N 93 116.280 116.280 119.450 -3.170 18234 3724 1 18 . 1 1 92 92 GLU H H 93 9.648 9.648 8.386 1.262 18234 3725 1 18 . 1 1 93 93 ASN N N 94 117.030 117.030 120.806 -3.776 18234 3726 1 18 . 1 1 93 93 ASN H H 94 7.116 7.116 8.374 -1.258 18234 3727 1 18 . 1 1 94 94 ILE N N 95 121.110 121.110 122.380 -1.270 18234 3728 1 18 . 1 1 94 94 ILE H H 95 7.546 7.546 8.132 -0.586 18234 3729 1 18 . 1 1 95 95 ILE N N 96 117.160 117.160 120.363 -3.203 18234 3730 1 18 . 1 1 95 95 ILE H H 96 8.172 8.172 8.110 0.062 18234 3731 1 18 . 1 1 96 96 ALA N N 97 120.060 120.060 122.294 -2.234 18234 3732 1 18 . 1 1 96 96 ALA H H 97 7.541 7.541 8.001 -0.460 18234 3733 1 18 . 1 1 97 97 ALA N N 98 119.150 119.150 122.943 -3.793 18234 3734 1 18 . 1 1 97 97 ALA H H 98 8.524 8.524 8.238 0.286 18234 3735 1 18 . 1 1 99 99 GLN N N 100 118.210 118.210 119.198 -0.988 18234 3736 1 18 . 1 1 99 99 GLN H H 100 8.974 8.974 7.633 1.341 18234 3737 1 18 . 1 1 100 100 ALA N N 101 117.990 117.990 122.094 -4.104 18234 3738 1 18 . 1 1 100 100 ALA H H 101 7.624 7.624 7.804 -0.180 18234 3739 1 18 . 1 1 102 102 ALA N N 103 123.640 123.640 120.491 3.149 18234 3740 1 18 . 1 1 102 102 ALA H H 103 8.726 8.726 8.018 0.708 18234 3741 1 18 . 1 1 103 103 SER N N 104 115.000 115.000 115.154 -0.154 18234 3742 1 18 . 1 1 103 103 SER H H 104 9.114 9.114 7.481 1.633 18234 3743 1 18 . 1 1 104 104 GLY N N 105 125.250 125.250 107.164 18.086 18234 3744 1 18 . 1 1 104 104 GLY H H 105 7.442 7.442 7.506 -0.064 18234 3745 1 18 . 1 1 105 105 TYR N N 106 118.860 118.860 118.171 0.689 18234 3746 1 18 . 1 1 105 105 TYR H H 106 8.524 8.524 7.837 0.687 18234 3747 1 18 . 1 1 107 107 VAL N N 108 127.360 127.360 117.004 10.356 18234 3748 1 18 . 1 1 107 107 VAL H H 108 8.089 8.089 8.028 0.061 18234 3749 1 18 . 1 1 108 108 LYS N N 109 123.480 123.480 120.013 3.467 18234 3750 1 18 . 1 1 108 108 LYS H H 109 8.376 8.376 7.689 0.687 18234 3751 1 18 . 1 1 111 111 THR N N 112 130.470 130.470 113.512 16.958 18234 3752 1 18 . 1 1 111 111 THR H H 112 7.916 7.916 8.288 -0.372 18234 3753 1 18 . 1 1 112 112 ALA N N 113 122.650 122.650 129.503 -6.853 18234 3754 1 18 . 1 1 112 112 ALA H H 113 9.188 9.188 8.761 0.427 18234 3755 1 18 . 1 1 113 113 ALA N N 114 118.690 118.690 121.422 -2.732 18234 3756 1 18 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 3757 1 18 . 1 1 115 115 LEU N N 116 121.770 121.770 124.720 -2.950 18234 3758 1 18 . 1 1 115 115 LEU H H 116 8.235 8.235 7.941 0.294 18234 3759 1 18 . 1 1 116 116 GLU N N 117 119.060 119.060 118.909 0.151 18234 3760 1 18 . 1 1 116 116 GLU H H 117 8.857 8.857 8.220 0.637 18234 3761 1 18 . 1 1 117 117 GLU N N 118 117.750 117.750 121.484 -3.734 18234 3762 1 18 . 1 1 117 117 GLU H H 118 7.670 7.670 8.402 -0.732 18234 3763 1 18 . 1 1 119 119 LEU N N 120 118.400 118.400 120.751 -2.351 18234 3764 1 18 . 1 1 119 119 LEU H H 120 8.543 8.543 7.937 0.606 18234 3765 1 18 . 1 1 120 120 ASN N N 121 115.130 115.130 118.595 -3.465 18234 3766 1 18 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 3767 1 18 . 1 1 121 121 LYS N N 122 119.730 119.730 120.556 -0.826 18234 3768 1 18 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 3769 1 18 . 1 1 122 122 ILE N N 123 120.980 120.980 117.718 3.262 18234 3770 1 18 . 1 1 122 122 ILE H H 123 7.385 7.385 8.151 -0.766 18234 3771 1 18 . 1 1 123 123 PHE N N 124 117.660 117.660 117.041 0.619 18234 3772 1 18 . 1 1 123 123 PHE H H 124 9.111 9.111 8.187 0.924 18234 3773 1 18 . 1 1 124 124 GLU N N 125 119.190 119.190 120.154 -0.964 18234 3774 1 18 . 1 1 124 124 GLU H H 125 8.330 8.330 7.853 0.477 18234 3775 1 18 . 1 1 125 125 LYS N N 126 121.310 121.310 121.039 0.271 18234 3776 1 18 . 1 1 125 125 LYS H H 126 8.317 8.317 8.089 0.228 18234 3777 1 18 . 1 1 127 127 GLY N N 128 110.530 110.530 106.632 3.898 18234 3778 1 18 . 1 1 127 127 GLY H H 128 7.966 7.966 7.746 0.220 18234 3779 1 18 . 1 1 128 128 MET N N 129 124.430 124.430 118.096 6.334 18234 3780 1 18 . 1 1 128 128 MET H H 129 8.432 8.432 8.167 0.265 18234 3781 1 19 . 1 1 2 2 ASP N N 3 121.390 121.390 123.067 -1.677 18234 3782 1 19 . 1 1 2 2 ASP H H 3 8.589 8.589 8.672 -0.083 18234 3783 1 19 . 1 1 3 3 LYS N N 4 122.470 122.470 127.004 -4.534 18234 3784 1 19 . 1 1 3 3 LYS H H 4 8.529 8.529 8.630 -0.101 18234 3785 1 19 . 1 1 4 4 GLU N N 5 119.020 119.020 118.136 0.884 18234 3786 1 19 . 1 1 4 4 GLU H H 5 8.702 8.702 8.283 0.419 18234 3787 1 19 . 1 1 5 5 LEU N N 6 124.230 124.230 119.646 4.584 18234 3788 1 19 . 1 1 5 5 LEU H H 6 7.530 7.530 7.835 -0.305 18234 3789 1 19 . 1 1 6 6 LYS N N 7 126.090 126.090 123.498 2.592 18234 3790 1 19 . 1 1 6 6 LYS H H 7 8.486 8.486 8.460 0.026 18234 3791 1 19 . 1 1 7 7 PHE N N 8 128.540 128.540 117.112 11.428 18234 3792 1 19 . 1 1 7 7 PHE H H 8 9.206 9.206 7.084 2.122 18234 3793 1 19 . 1 1 8 8 LEU N N 9 121.920 121.920 122.292 -0.372 18234 3794 1 19 . 1 1 8 8 LEU H H 9 8.827 8.827 7.155 1.672 18234 3795 1 19 . 1 1 9 9 VAL N N 10 127.280 127.280 119.640 7.640 18234 3796 1 19 . 1 1 9 9 VAL H H 10 8.983 8.983 8.927 0.056 18234 3797 1 19 . 1 1 10 10 VAL N N 11 127.250 127.250 119.575 7.675 18234 3798 1 19 . 1 1 10 10 VAL H H 11 9.251 9.251 8.416 0.835 18234 3799 1 19 . 1 1 11 11 ASP N N 12 123.770 123.770 124.287 -0.517 18234 3800 1 19 . 1 1 11 11 ASP H H 12 8.144 8.144 7.743 0.401 18234 3801 1 19 . 1 1 12 12 ASP N N 13 124.940 124.940 119.077 5.863 18234 3802 1 19 . 1 1 12 12 ASP H H 13 9.709 9.709 8.956 0.753 18234 3803 1 19 . 1 1 14 14 SER N N 15 126.800 126.800 115.861 10.939 18234 3804 1 19 . 1 1 14 14 SER H H 15 9.493 9.493 8.023 1.470 18234 3805 1 19 . 1 1 15 15 THR N N 16 116.700 116.700 114.387 2.313 18234 3806 1 19 . 1 1 15 15 THR H H 16 7.372 7.372 8.569 -1.197 18234 3807 1 19 . 1 1 16 16 MET N N 17 119.000 119.000 118.109 0.891 18234 3808 1 19 . 1 1 16 16 MET H H 17 6.326 6.326 7.849 -1.523 18234 3809 1 19 . 1 1 17 17 ARG N N 18 116.670 116.670 119.930 -3.260 18234 3810 1 19 . 1 1 17 17 ARG H H 18 7.515 7.515 7.757 -0.242 18234 3811 1 19 . 1 1 18 18 ARG N N 19 116.980 116.980 119.437 -2.457 18234 3812 1 19 . 1 1 18 18 ARG H H 19 7.638 7.638 8.592 -0.954 18234 3813 1 19 . 1 1 19 19 ILE N N 20 120.790 120.790 118.758 2.032 18234 3814 1 19 . 1 1 19 19 ILE H H 20 7.789 7.789 8.288 -0.499 18234 3815 1 19 . 1 1 20 20 VAL N N 21 119.340 119.340 120.136 -0.796 18234 3816 1 19 . 1 1 20 20 VAL H H 21 8.389 8.389 8.086 0.303 18234 3817 1 19 . 1 1 21 21 ARG N N 22 119.430 119.430 119.320 0.110 18234 3818 1 19 . 1 1 21 21 ARG H H 22 8.622 8.622 8.083 0.539 18234 3819 1 19 . 1 1 23 23 LEU N N 24 123.390 123.390 120.572 2.818 18234 3820 1 19 . 1 1 23 23 LEU H H 24 8.490 8.490 7.993 0.497 18234 3821 1 19 . 1 1 25 25 LYS N N 26 120.620 120.620 120.982 -0.362 18234 3822 1 19 . 1 1 25 25 LYS H H 26 7.932 7.932 8.013 -0.081 18234 3823 1 19 . 1 1 26 26 GLU N N 27 122.290 122.290 118.900 3.390 18234 3824 1 19 . 1 1 26 26 GLU H H 27 7.985 7.985 8.467 -0.482 18234 3825 1 19 . 1 1 27 27 LEU N N 28 117.210 117.210 117.134 0.076 18234 3826 1 19 . 1 1 27 27 LEU H H 28 7.431 7.431 8.158 -0.727 18234 3827 1 19 . 1 1 28 28 GLY N N 29 128.170 128.170 104.364 23.806 18234 3828 1 19 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 3829 1 19 . 1 1 29 29 PHE N N 30 121.140 121.140 120.170 0.970 18234 3830 1 19 . 1 1 29 29 PHE H H 30 8.188 8.188 7.431 0.757 18234 3831 1 19 . 1 1 30 30 ASN N N 31 118.220 118.220 122.978 -4.758 18234 3832 1 19 . 1 1 30 30 ASN H H 31 8.305 8.305 8.607 -0.302 18234 3833 1 19 . 1 1 32 32 VAL N N 33 122.030 122.030 114.896 7.134 18234 3834 1 19 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 3835 1 19 . 1 1 33 33 GLU N N 34 126.880 126.880 119.514 7.366 18234 3836 1 19 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 3837 1 19 . 1 1 35 35 ALA N N 36 120.500 120.500 126.159 -5.659 18234 3838 1 19 . 1 1 35 35 ALA H H 36 8.878 8.878 8.080 0.798 18234 3839 1 19 . 1 1 36 36 GLU N N 37 117.420 117.420 127.601 -10.181 18234 3840 1 19 . 1 1 36 36 GLU H H 37 9.476 9.476 8.921 0.555 18234 3841 1 19 . 1 1 37 37 ASP N N 38 131.500 131.500 117.478 14.022 18234 3842 1 19 . 1 1 37 37 ASP H H 38 7.450 7.450 8.119 -0.669 18234 3843 1 19 . 1 1 38 38 GLY N N 39 124.390 124.390 107.741 16.649 18234 3844 1 19 . 1 1 38 38 GLY H H 39 8.148 8.148 7.800 0.348 18234 3845 1 19 . 1 1 39 39 VAL N N 40 122.620 122.620 119.799 2.821 18234 3846 1 19 . 1 1 39 39 VAL H H 40 7.962 7.962 8.162 -0.200 18234 3847 1 19 . 1 1 40 40 ASP N N 41 121.110 121.110 119.620 1.490 18234 3848 1 19 . 1 1 40 40 ASP H H 41 8.518 8.518 8.352 0.166 18234 3849 1 19 . 1 1 41 41 ALA N N 42 116.970 116.970 122.791 -5.821 18234 3850 1 19 . 1 1 41 41 ALA H H 42 8.337 8.337 7.331 1.006 18234 3851 1 19 . 1 1 42 42 LEU N N 43 118.280 118.280 120.044 -1.764 18234 3852 1 19 . 1 1 42 42 LEU H H 43 8.121 8.121 7.509 0.612 18234 3853 1 19 . 1 1 45 45 LEU N N 46 118.530 118.530 120.549 -2.019 18234 3854 1 19 . 1 1 45 45 LEU H H 46 8.748 8.748 8.078 0.670 18234 3855 1 19 . 1 1 46 46 GLN N N 47 116.820 116.820 118.639 -1.819 18234 3856 1 19 . 1 1 46 46 GLN H H 47 7.865 7.865 8.076 -0.211 18234 3857 1 19 . 1 1 47 47 ALA N N 48 120.460 120.460 122.732 -2.272 18234 3858 1 19 . 1 1 47 47 ALA H H 48 7.611 7.611 8.273 -0.662 18234 3859 1 19 . 1 1 48 48 GLY N N 49 126.280 126.280 108.671 17.609 18234 3860 1 19 . 1 1 48 48 GLY H H 49 7.574 7.574 8.195 -0.621 18234 3861 1 19 . 1 1 49 49 GLY N N 50 125.810 125.810 111.177 14.633 18234 3862 1 19 . 1 1 49 49 GLY H H 50 8.367 8.367 8.515 -0.148 18234 3863 1 19 . 1 1 50 50 TYR N N 51 118.740 118.740 121.051 -2.311 18234 3864 1 19 . 1 1 50 50 TYR H H 51 8.126 8.126 8.316 -0.190 18234 3865 1 19 . 1 1 51 51 GLY N N 52 128.900 128.900 105.946 22.954 18234 3866 1 19 . 1 1 51 51 GLY H H 52 9.556 9.556 7.934 1.622 18234 3867 1 19 . 1 1 52 52 PHE N N 53 121.380 121.380 120.689 0.691 18234 3868 1 19 . 1 1 52 52 PHE H H 53 7.527 7.527 8.010 -0.483 18234 3869 1 19 . 1 1 53 53 VAL N N 54 127.150 127.150 121.401 5.749 18234 3870 1 19 . 1 1 53 53 VAL H H 54 8.246 8.246 8.182 0.064 18234 3871 1 19 . 1 1 54 54 ILE N N 55 128.130 128.130 118.843 9.287 18234 3872 1 19 . 1 1 54 54 ILE H H 55 9.235 9.235 8.224 1.011 18234 3873 1 19 . 1 1 55 55 SER N N 56 118.200 118.200 119.202 -1.002 18234 3874 1 19 . 1 1 55 55 SER H H 56 8.678 8.678 7.923 0.755 18234 3875 1 19 . 1 1 56 56 ASP N N 57 127.290 127.290 118.087 9.203 18234 3876 1 19 . 1 1 56 56 ASP H H 57 8.412 8.412 7.369 1.043 18234 3877 1 19 . 1 1 58 58 ASN N N 59 116.980 116.980 119.658 -2.678 18234 3878 1 19 . 1 1 58 58 ASN H H 59 8.716 8.716 8.285 0.431 18234 3879 1 19 . 1 1 61 61 ASN N N 62 112.140 112.140 118.919 -6.779 18234 3880 1 19 . 1 1 61 61 ASN H H 62 8.598 8.598 7.848 0.750 18234 3881 1 19 . 1 1 62 62 MET N N 63 122.950 122.950 119.891 3.059 18234 3882 1 19 . 1 1 62 62 MET H H 63 9.192 9.192 8.632 0.560 18234 3883 1 19 . 1 1 63 63 ASP N N 64 126.540 126.540 120.032 6.508 18234 3884 1 19 . 1 1 63 63 ASP H H 64 8.518 8.518 8.347 0.171 18234 3885 1 19 . 1 1 65 65 LEU N N 66 121.870 121.870 122.508 -0.638 18234 3886 1 19 . 1 1 65 65 LEU H H 66 7.733 7.733 8.492 -0.759 18234 3887 1 19 . 1 1 66 66 GLU N N 67 119.470 119.470 124.475 -5.005 18234 3888 1 19 . 1 1 66 66 GLU H H 67 8.085 8.085 8.213 -0.128 18234 3889 1 19 . 1 1 67 67 LEU N N 68 123.910 123.910 118.643 5.267 18234 3890 1 19 . 1 1 67 67 LEU H H 68 8.299 8.299 8.004 0.295 18234 3891 1 19 . 1 1 68 68 LEU N N 69 120.640 120.640 121.053 -0.413 18234 3892 1 19 . 1 1 68 68 LEU H H 69 8.249 8.249 7.681 0.568 18234 3893 1 19 . 1 1 69 69 LYS N N 70 116.080 116.080 120.266 -4.186 18234 3894 1 19 . 1 1 69 69 LYS H H 70 8.400 8.400 8.541 -0.141 18234 3895 1 19 . 1 1 70 70 THR N N 71 117.490 117.490 114.090 3.400 18234 3896 1 19 . 1 1 70 70 THR H H 71 8.028 8.028 7.753 0.275 18234 3897 1 19 . 1 1 71 71 ILE N N 72 123.640 123.640 120.578 3.062 18234 3898 1 19 . 1 1 71 71 ILE H H 72 8.459 8.459 7.512 0.947 18234 3899 1 19 . 1 1 72 72 ARG N N 73 113.350 113.350 118.812 -5.462 18234 3900 1 19 . 1 1 72 72 ARG H H 73 8.112 8.112 8.362 -0.250 18234 3901 1 19 . 1 1 73 73 ALA N N 74 118.900 118.900 122.500 -3.600 18234 3902 1 19 . 1 1 73 73 ALA H H 74 7.286 7.286 8.245 -0.959 18234 3903 1 19 . 1 1 74 74 ASP N N 75 121.870 121.870 120.593 1.277 18234 3904 1 19 . 1 1 74 74 ASP H H 75 7.399 7.399 7.811 -0.412 18234 3905 1 19 . 1 1 75 75 GLY N N 76 112.230 112.230 106.762 5.468 18234 3906 1 19 . 1 1 75 75 GLY H H 76 8.728 8.728 8.224 0.504 18234 3907 1 19 . 1 1 76 76 ALA N N 77 121.970 121.970 119.501 2.469 18234 3908 1 19 . 1 1 76 76 ALA H H 77 8.558 8.558 7.810 0.748 18234 3909 1 19 . 1 1 77 77 MET N N 78 116.180 116.180 117.349 -1.169 18234 3910 1 19 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 3911 1 19 . 1 1 78 78 SER N N 79 112.910 112.910 113.956 -1.046 18234 3912 1 19 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 3913 1 19 . 1 1 79 79 ALA N N 80 123.080 123.080 121.779 1.301 18234 3914 1 19 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 3915 1 19 . 1 1 80 80 LEU N N 81 124.130 124.130 120.478 3.652 18234 3916 1 19 . 1 1 80 80 LEU H H 81 7.816 7.816 7.388 0.428 18234 3917 1 19 . 1 1 82 82 VAL N N 83 118.860 118.860 123.964 -5.104 18234 3918 1 19 . 1 1 82 82 VAL H H 83 7.731 7.731 8.568 -0.837 18234 3919 1 19 . 1 1 83 83 LEU N N 84 130.450 130.450 115.504 14.946 18234 3920 1 19 . 1 1 83 83 LEU H H 84 9.135 9.135 7.929 1.206 18234 3921 1 19 . 1 1 84 84 MET N N 85 124.080 124.080 113.604 10.476 18234 3922 1 19 . 1 1 84 84 MET H H 85 7.855 7.855 8.547 -0.692 18234 3923 1 19 . 1 1 85 85 VAL N N 86 124.810 124.810 122.637 2.173 18234 3924 1 19 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 3925 1 19 . 1 1 86 86 THR N N 87 116.560 116.560 114.530 2.030 18234 3926 1 19 . 1 1 86 86 THR H H 87 8.715 8.715 8.640 0.075 18234 3927 1 19 . 1 1 87 87 ALA N N 88 125.460 125.460 122.451 3.009 18234 3928 1 19 . 1 1 87 87 ALA H H 88 8.807 8.807 7.725 1.082 18234 3929 1 19 . 1 1 89 89 ALA N N 90 129.990 129.990 123.953 6.037 18234 3930 1 19 . 1 1 89 89 ALA H H 90 9.090 9.090 7.754 1.336 18234 3931 1 19 . 1 1 90 90 LYS N N 91 121.030 121.030 118.966 2.064 18234 3932 1 19 . 1 1 90 90 LYS H H 91 7.197 7.197 7.981 -0.784 18234 3933 1 19 . 1 1 92 92 GLU N N 93 116.280 116.280 119.467 -3.187 18234 3934 1 19 . 1 1 92 92 GLU H H 93 9.648 9.648 8.392 1.256 18234 3935 1 19 . 1 1 93 93 ASN N N 94 117.030 117.030 120.818 -3.788 18234 3936 1 19 . 1 1 93 93 ASN H H 94 7.116 7.116 8.382 -1.266 18234 3937 1 19 . 1 1 94 94 ILE N N 95 121.110 121.110 122.388 -1.278 18234 3938 1 19 . 1 1 94 94 ILE H H 95 7.546 7.546 8.146 -0.600 18234 3939 1 19 . 1 1 95 95 ILE N N 96 117.160 117.160 120.373 -3.213 18234 3940 1 19 . 1 1 95 95 ILE H H 96 8.172 8.172 8.119 0.053 18234 3941 1 19 . 1 1 96 96 ALA N N 97 120.060 120.060 122.318 -2.258 18234 3942 1 19 . 1 1 96 96 ALA H H 97 7.541 7.541 8.012 -0.471 18234 3943 1 19 . 1 1 97 97 ALA N N 98 119.150 119.150 122.955 -3.805 18234 3944 1 19 . 1 1 97 97 ALA H H 98 8.524 8.524 8.257 0.267 18234 3945 1 19 . 1 1 99 99 GLN N N 100 118.210 118.210 119.258 -1.048 18234 3946 1 19 . 1 1 99 99 GLN H H 100 8.974 8.974 7.670 1.304 18234 3947 1 19 . 1 1 100 100 ALA N N 101 117.990 117.990 122.148 -4.158 18234 3948 1 19 . 1 1 100 100 ALA H H 101 7.624 7.624 7.859 -0.235 18234 3949 1 19 . 1 1 102 102 ALA N N 103 123.640 123.640 120.657 2.983 18234 3950 1 19 . 1 1 102 102 ALA H H 103 8.726 8.726 8.162 0.564 18234 3951 1 19 . 1 1 103 103 SER N N 104 115.000 115.000 115.223 -0.223 18234 3952 1 19 . 1 1 103 103 SER H H 104 9.114 9.114 7.574 1.540 18234 3953 1 19 . 1 1 104 104 GLY N N 105 125.250 125.250 107.274 17.976 18234 3954 1 19 . 1 1 104 104 GLY H H 105 7.442 7.442 7.656 -0.214 18234 3955 1 19 . 1 1 105 105 TYR N N 106 118.860 118.860 118.311 0.549 18234 3956 1 19 . 1 1 105 105 TYR H H 106 8.524 8.524 8.082 0.442 18234 3957 1 19 . 1 1 107 107 VAL N N 108 127.360 127.360 116.911 10.449 18234 3958 1 19 . 1 1 107 107 VAL H H 108 8.089 8.089 7.946 0.143 18234 3959 1 19 . 1 1 108 108 LYS N N 109 123.480 123.480 119.961 3.519 18234 3960 1 19 . 1 1 108 108 LYS H H 109 8.376 8.376 7.642 0.734 18234 3961 1 19 . 1 1 111 111 THR N N 112 130.470 130.470 113.481 16.989 18234 3962 1 19 . 1 1 111 111 THR H H 112 7.916 7.916 8.291 -0.375 18234 3963 1 19 . 1 1 112 112 ALA N N 113 122.650 122.650 129.509 -6.859 18234 3964 1 19 . 1 1 112 112 ALA H H 113 9.188 9.188 8.758 0.430 18234 3965 1 19 . 1 1 113 113 ALA N N 114 118.690 118.690 121.409 -2.719 18234 3966 1 19 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 3967 1 19 . 1 1 115 115 LEU N N 116 121.770 121.770 125.053 -3.283 18234 3968 1 19 . 1 1 115 115 LEU H H 116 8.235 8.235 7.940 0.295 18234 3969 1 19 . 1 1 116 116 GLU N N 117 119.060 119.060 118.778 0.282 18234 3970 1 19 . 1 1 116 116 GLU H H 117 8.857 8.857 8.173 0.684 18234 3971 1 19 . 1 1 117 117 GLU N N 118 117.750 117.750 121.484 -3.734 18234 3972 1 19 . 1 1 117 117 GLU H H 118 7.670 7.670 8.403 -0.733 18234 3973 1 19 . 1 1 119 119 LEU N N 120 118.400 118.400 120.770 -2.370 18234 3974 1 19 . 1 1 119 119 LEU H H 120 8.543 8.543 7.944 0.599 18234 3975 1 19 . 1 1 120 120 ASN N N 121 115.130 115.130 118.590 -3.460 18234 3976 1 19 . 1 1 120 120 ASN H H 121 8.605 8.605 8.008 0.597 18234 3977 1 19 . 1 1 121 121 LYS N N 122 119.730 119.730 120.555 -0.825 18234 3978 1 19 . 1 1 121 121 LYS H H 122 7.585 7.585 7.919 -0.334 18234 3979 1 19 . 1 1 122 122 ILE N N 123 120.980 120.980 117.731 3.249 18234 3980 1 19 . 1 1 122 122 ILE H H 123 7.385 7.385 8.159 -0.774 18234 3981 1 19 . 1 1 123 123 PHE N N 124 117.660 117.660 117.042 0.618 18234 3982 1 19 . 1 1 123 123 PHE H H 124 9.111 9.111 8.190 0.921 18234 3983 1 19 . 1 1 124 124 GLU N N 125 119.190 119.190 120.166 -0.976 18234 3984 1 19 . 1 1 124 124 GLU H H 125 8.330 8.330 7.859 0.471 18234 3985 1 19 . 1 1 125 125 LYS N N 126 121.310 121.310 121.028 0.282 18234 3986 1 19 . 1 1 125 125 LYS H H 126 8.317 8.317 8.089 0.228 18234 3987 1 19 . 1 1 127 127 GLY N N 128 110.530 110.530 106.636 3.894 18234 3988 1 19 . 1 1 127 127 GLY H H 128 7.966 7.966 7.749 0.217 18234 3989 1 19 . 1 1 128 128 MET N N 129 124.430 124.430 118.161 6.269 18234 3990 1 19 . 1 1 128 128 MET H H 129 8.432 8.432 8.195 0.237 18234 3991 1 20 . 1 1 2 2 ASP N N 3 121.390 121.390 123.454 -2.064 18234 3992 1 20 . 1 1 2 2 ASP H H 3 8.589 8.589 8.066 0.523 18234 3993 1 20 . 1 1 3 3 LYS N N 4 122.470 122.470 126.611 -4.141 18234 3994 1 20 . 1 1 3 3 LYS H H 4 8.529 8.529 8.208 0.321 18234 3995 1 20 . 1 1 4 4 GLU N N 5 119.020 119.020 116.985 2.035 18234 3996 1 20 . 1 1 4 4 GLU H H 5 8.702 8.702 8.385 0.317 18234 3997 1 20 . 1 1 5 5 LEU N N 6 124.230 124.230 122.004 2.226 18234 3998 1 20 . 1 1 5 5 LEU H H 6 7.530 7.530 8.046 -0.516 18234 3999 1 20 . 1 1 6 6 LYS N N 7 126.090 126.090 119.146 6.944 18234 4000 1 20 . 1 1 6 6 LYS H H 7 8.486 8.486 8.700 -0.214 18234 4001 1 20 . 1 1 7 7 PHE N N 8 128.540 128.540 115.227 13.313 18234 4002 1 20 . 1 1 7 7 PHE H H 8 9.206 9.206 8.296 0.910 18234 4003 1 20 . 1 1 8 8 LEU N N 9 121.920 121.920 122.425 -0.505 18234 4004 1 20 . 1 1 8 8 LEU H H 9 8.827 8.827 8.174 0.653 18234 4005 1 20 . 1 1 9 9 VAL N N 10 127.280 127.280 118.702 8.578 18234 4006 1 20 . 1 1 9 9 VAL H H 10 8.983 8.983 8.448 0.535 18234 4007 1 20 . 1 1 10 10 VAL N N 11 127.250 127.250 118.910 8.340 18234 4008 1 20 . 1 1 10 10 VAL H H 11 9.251 9.251 8.451 0.800 18234 4009 1 20 . 1 1 11 11 ASP N N 12 123.770 123.770 123.673 0.097 18234 4010 1 20 . 1 1 11 11 ASP H H 12 8.144 8.144 7.674 0.470 18234 4011 1 20 . 1 1 12 12 ASP N N 13 124.940 124.940 118.625 6.315 18234 4012 1 20 . 1 1 12 12 ASP H H 13 9.709 9.709 8.761 0.948 18234 4013 1 20 . 1 1 14 14 SER N N 15 126.800 126.800 115.584 11.216 18234 4014 1 20 . 1 1 14 14 SER H H 15 9.493 9.493 7.995 1.498 18234 4015 1 20 . 1 1 15 15 THR N N 16 116.700 116.700 113.618 3.082 18234 4016 1 20 . 1 1 15 15 THR H H 16 7.372 7.372 8.647 -1.275 18234 4017 1 20 . 1 1 16 16 MET N N 17 119.000 119.000 118.097 0.903 18234 4018 1 20 . 1 1 16 16 MET H H 17 6.326 6.326 7.841 -1.515 18234 4019 1 20 . 1 1 17 17 ARG N N 18 116.670 116.670 119.935 -3.265 18234 4020 1 20 . 1 1 17 17 ARG H H 18 7.515 7.515 7.757 -0.242 18234 4021 1 20 . 1 1 18 18 ARG N N 19 116.980 116.980 119.443 -2.463 18234 4022 1 20 . 1 1 18 18 ARG H H 19 7.638 7.638 8.596 -0.958 18234 4023 1 20 . 1 1 19 19 ILE N N 20 120.790 120.790 118.763 2.027 18234 4024 1 20 . 1 1 19 19 ILE H H 20 7.789 7.789 8.289 -0.500 18234 4025 1 20 . 1 1 20 20 VAL N N 21 119.340 119.340 120.128 -0.788 18234 4026 1 20 . 1 1 20 20 VAL H H 21 8.389 8.389 8.072 0.317 18234 4027 1 20 . 1 1 21 21 ARG N N 22 119.430 119.430 119.313 0.117 18234 4028 1 20 . 1 1 21 21 ARG H H 22 8.622 8.622 8.084 0.538 18234 4029 1 20 . 1 1 23 23 LEU N N 24 123.390 123.390 120.562 2.828 18234 4030 1 20 . 1 1 23 23 LEU H H 24 8.490 8.490 7.989 0.501 18234 4031 1 20 . 1 1 25 25 LYS N N 26 120.620 120.620 120.104 0.516 18234 4032 1 20 . 1 1 25 25 LYS H H 26 7.932 7.932 7.960 -0.028 18234 4033 1 20 . 1 1 26 26 GLU N N 27 122.290 122.290 118.892 3.398 18234 4034 1 20 . 1 1 26 26 GLU H H 27 7.985 7.985 8.469 -0.484 18234 4035 1 20 . 1 1 27 27 LEU N N 28 117.210 117.210 117.143 0.067 18234 4036 1 20 . 1 1 27 27 LEU H H 28 7.431 7.431 8.152 -0.721 18234 4037 1 20 . 1 1 28 28 GLY N N 29 128.170 128.170 104.341 23.829 18234 4038 1 20 . 1 1 28 28 GLY H H 29 7.735 7.735 7.644 0.091 18234 4039 1 20 . 1 1 29 29 PHE N N 30 121.140 121.140 119.913 1.227 18234 4040 1 20 . 1 1 29 29 PHE H H 30 8.188 8.188 7.413 0.775 18234 4041 1 20 . 1 1 30 30 ASN N N 31 118.220 118.220 122.955 -4.735 18234 4042 1 20 . 1 1 30 30 ASN H H 31 8.305 8.305 8.648 -0.343 18234 4043 1 20 . 1 1 32 32 VAL N N 33 122.030 122.030 114.902 7.128 18234 4044 1 20 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 4045 1 20 . 1 1 33 33 GLU N N 34 126.880 126.880 119.516 7.364 18234 4046 1 20 . 1 1 33 33 GLU H H 34 9.124 9.124 7.727 1.397 18234 4047 1 20 . 1 1 35 35 ALA N N 36 120.500 120.500 127.236 -6.736 18234 4048 1 20 . 1 1 35 35 ALA H H 36 8.878 8.878 8.234 0.644 18234 4049 1 20 . 1 1 36 36 GLU N N 37 117.420 117.420 127.902 -10.482 18234 4050 1 20 . 1 1 36 36 GLU H H 37 9.476 9.476 8.885 0.591 18234 4051 1 20 . 1 1 37 37 ASP N N 38 131.500 131.500 117.576 13.924 18234 4052 1 20 . 1 1 37 37 ASP H H 38 7.450 7.450 8.212 -0.762 18234 4053 1 20 . 1 1 38 38 GLY N N 39 124.390 124.390 108.180 16.210 18234 4054 1 20 . 1 1 38 38 GLY H H 39 8.148 8.148 7.758 0.390 18234 4055 1 20 . 1 1 39 39 VAL N N 40 122.620 122.620 119.840 2.780 18234 4056 1 20 . 1 1 39 39 VAL H H 40 7.962 7.962 8.076 -0.114 18234 4057 1 20 . 1 1 40 40 ASP N N 41 121.110 121.110 119.018 2.092 18234 4058 1 20 . 1 1 40 40 ASP H H 41 8.518 8.518 8.354 0.164 18234 4059 1 20 . 1 1 41 41 ALA N N 42 116.970 116.970 122.916 -5.946 18234 4060 1 20 . 1 1 41 41 ALA H H 42 8.337 8.337 7.346 0.991 18234 4061 1 20 . 1 1 42 42 LEU N N 43 118.280 118.280 120.043 -1.763 18234 4062 1 20 . 1 1 42 42 LEU H H 43 8.121 8.121 7.508 0.613 18234 4063 1 20 . 1 1 45 45 LEU N N 46 118.530 118.530 120.576 -2.046 18234 4064 1 20 . 1 1 45 45 LEU H H 46 8.748 8.748 8.117 0.631 18234 4065 1 20 . 1 1 46 46 GLN N N 47 116.820 116.820 118.650 -1.830 18234 4066 1 20 . 1 1 46 46 GLN H H 47 7.865 7.865 8.082 -0.217 18234 4067 1 20 . 1 1 47 47 ALA N N 48 120.460 120.460 122.746 -2.286 18234 4068 1 20 . 1 1 47 47 ALA H H 48 7.611 7.611 8.281 -0.670 18234 4069 1 20 . 1 1 48 48 GLY N N 49 126.280 126.280 108.673 17.607 18234 4070 1 20 . 1 1 48 48 GLY H H 49 7.574 7.574 8.203 -0.628 18234 4071 1 20 . 1 1 49 49 GLY N N 50 125.810 125.810 110.842 14.968 18234 4072 1 20 . 1 1 49 49 GLY H H 50 8.367 8.367 8.527 -0.160 18234 4073 1 20 . 1 1 50 50 TYR N N 51 118.740 118.740 121.064 -2.324 18234 4074 1 20 . 1 1 50 50 TYR H H 51 8.126 8.126 8.324 -0.198 18234 4075 1 20 . 1 1 51 51 GLY N N 52 128.900 128.900 105.948 22.952 18234 4076 1 20 . 1 1 51 51 GLY H H 52 9.556 9.556 7.942 1.614 18234 4077 1 20 . 1 1 52 52 PHE N N 53 121.380 121.380 120.693 0.687 18234 4078 1 20 . 1 1 52 52 PHE H H 53 7.527 7.527 8.005 -0.478 18234 4079 1 20 . 1 1 53 53 VAL N N 54 127.150 127.150 121.443 5.707 18234 4080 1 20 . 1 1 53 53 VAL H H 54 8.246 8.246 8.189 0.057 18234 4081 1 20 . 1 1 54 54 ILE N N 55 128.130 128.130 118.757 9.373 18234 4082 1 20 . 1 1 54 54 ILE H H 55 9.235 9.235 8.246 0.989 18234 4083 1 20 . 1 1 55 55 SER N N 56 118.200 118.200 119.701 -1.501 18234 4084 1 20 . 1 1 55 55 SER H H 56 8.678 8.678 8.014 0.664 18234 4085 1 20 . 1 1 56 56 ASP N N 57 127.290 127.290 118.701 8.589 18234 4086 1 20 . 1 1 56 56 ASP H H 57 8.412 8.412 7.587 0.825 18234 4087 1 20 . 1 1 58 58 ASN N N 59 116.980 116.980 120.764 -3.784 18234 4088 1 20 . 1 1 58 58 ASN H H 59 8.716 8.716 8.327 0.389 18234 4089 1 20 . 1 1 61 61 ASN N N 62 112.140 112.140 118.722 -6.582 18234 4090 1 20 . 1 1 61 61 ASN H H 62 8.598 8.598 7.799 0.799 18234 4091 1 20 . 1 1 62 62 MET N N 63 122.950 122.950 120.261 2.689 18234 4092 1 20 . 1 1 62 62 MET H H 63 9.192 9.192 8.690 0.502 18234 4093 1 20 . 1 1 63 63 ASP N N 64 126.540 126.540 119.335 7.205 18234 4094 1 20 . 1 1 63 63 ASP H H 64 8.518 8.518 8.385 0.133 18234 4095 1 20 . 1 1 65 65 LEU N N 66 121.870 121.870 122.665 -0.795 18234 4096 1 20 . 1 1 65 65 LEU H H 66 7.733 7.733 8.485 -0.752 18234 4097 1 20 . 1 1 66 66 GLU N N 67 119.470 119.470 124.476 -5.006 18234 4098 1 20 . 1 1 66 66 GLU H H 67 8.085 8.085 8.219 -0.134 18234 4099 1 20 . 1 1 67 67 LEU N N 68 123.910 123.910 118.778 5.132 18234 4100 1 20 . 1 1 67 67 LEU H H 68 8.299 8.299 8.064 0.235 18234 4101 1 20 . 1 1 68 68 LEU N N 69 120.640 120.640 121.059 -0.419 18234 4102 1 20 . 1 1 68 68 LEU H H 69 8.249 8.249 7.680 0.569 18234 4103 1 20 . 1 1 69 69 LYS N N 70 116.080 116.080 120.259 -4.179 18234 4104 1 20 . 1 1 69 69 LYS H H 70 8.400 8.400 8.565 -0.165 18234 4105 1 20 . 1 1 70 70 THR N N 71 117.490 117.490 114.064 3.426 18234 4106 1 20 . 1 1 70 70 THR H H 71 8.028 8.028 7.784 0.244 18234 4107 1 20 . 1 1 71 71 ILE N N 72 123.640 123.640 120.625 3.015 18234 4108 1 20 . 1 1 71 71 ILE H H 72 8.459 8.459 7.506 0.953 18234 4109 1 20 . 1 1 72 72 ARG N N 73 113.350 113.350 118.804 -5.454 18234 4110 1 20 . 1 1 72 72 ARG H H 73 8.112 8.112 8.361 -0.249 18234 4111 1 20 . 1 1 73 73 ALA N N 74 118.900 118.900 122.501 -3.601 18234 4112 1 20 . 1 1 73 73 ALA H H 74 7.286 7.286 8.237 -0.951 18234 4113 1 20 . 1 1 74 74 ASP N N 75 121.870 121.870 120.592 1.278 18234 4114 1 20 . 1 1 74 74 ASP H H 75 7.399 7.399 7.812 -0.413 18234 4115 1 20 . 1 1 75 75 GLY N N 76 112.230 112.230 106.749 5.481 18234 4116 1 20 . 1 1 75 75 GLY H H 76 8.728 8.728 8.225 0.503 18234 4117 1 20 . 1 1 76 76 ALA N N 77 121.970 121.970 118.666 3.304 18234 4118 1 20 . 1 1 76 76 ALA H H 77 8.558 8.558 7.815 0.743 18234 4119 1 20 . 1 1 77 77 MET N N 78 116.180 116.180 117.356 -1.176 18234 4120 1 20 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 4121 1 20 . 1 1 78 78 SER N N 79 112.910 112.910 113.951 -1.041 18234 4122 1 20 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 4123 1 20 . 1 1 79 79 ALA N N 80 123.080 123.080 121.777 1.303 18234 4124 1 20 . 1 1 79 79 ALA H H 80 8.246 8.246 8.050 0.196 18234 4125 1 20 . 1 1 80 80 LEU N N 81 124.130 124.130 120.488 3.642 18234 4126 1 20 . 1 1 80 80 LEU H H 81 7.816 7.816 7.388 0.428 18234 4127 1 20 . 1 1 82 82 VAL N N 83 118.860 118.860 123.968 -5.108 18234 4128 1 20 . 1 1 82 82 VAL H H 83 7.731 7.731 8.568 -0.837 18234 4129 1 20 . 1 1 83 83 LEU N N 84 130.450 130.450 115.466 14.984 18234 4130 1 20 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 4131 1 20 . 1 1 84 84 MET N N 85 124.080 124.080 113.619 10.461 18234 4132 1 20 . 1 1 84 84 MET H H 85 7.855 7.855 8.546 -0.691 18234 4133 1 20 . 1 1 85 85 VAL N N 86 124.810 124.810 122.636 2.174 18234 4134 1 20 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 4135 1 20 . 1 1 86 86 THR N N 87 116.560 116.560 114.526 2.034 18234 4136 1 20 . 1 1 86 86 THR H H 87 8.715 8.715 8.637 0.078 18234 4137 1 20 . 1 1 87 87 ALA N N 88 125.460 125.460 122.459 3.001 18234 4138 1 20 . 1 1 87 87 ALA H H 88 8.807 8.807 7.730 1.077 18234 4139 1 20 . 1 1 89 89 ALA N N 90 129.990 129.990 123.952 6.038 18234 4140 1 20 . 1 1 89 89 ALA H H 90 9.090 9.090 7.754 1.336 18234 4141 1 20 . 1 1 90 90 LYS N N 91 121.030 121.030 118.965 2.065 18234 4142 1 20 . 1 1 90 90 LYS H H 91 7.197 7.197 7.983 -0.786 18234 4143 1 20 . 1 1 92 92 GLU N N 93 116.280 116.280 119.462 -3.182 18234 4144 1 20 . 1 1 92 92 GLU H H 93 9.648 9.648 8.389 1.259 18234 4145 1 20 . 1 1 93 93 ASN N N 94 117.030 117.030 120.803 -3.773 18234 4146 1 20 . 1 1 93 93 ASN H H 94 7.116 7.116 8.381 -1.265 18234 4147 1 20 . 1 1 94 94 ILE N N 95 121.110 121.110 122.386 -1.276 18234 4148 1 20 . 1 1 94 94 ILE H H 95 7.546 7.546 8.136 -0.590 18234 4149 1 20 . 1 1 95 95 ILE N N 96 117.160 117.160 120.360 -3.200 18234 4150 1 20 . 1 1 95 95 ILE H H 96 8.172 8.172 8.116 0.056 18234 4151 1 20 . 1 1 96 96 ALA N N 97 120.060 120.060 122.307 -2.247 18234 4152 1 20 . 1 1 96 96 ALA H H 97 7.541 7.541 8.002 -0.461 18234 4153 1 20 . 1 1 97 97 ALA N N 98 119.150 119.150 122.934 -3.784 18234 4154 1 20 . 1 1 97 97 ALA H H 98 8.524 8.524 8.245 0.279 18234 4155 1 20 . 1 1 99 99 GLN N N 100 118.210 118.210 119.223 -1.013 18234 4156 1 20 . 1 1 99 99 GLN H H 100 8.974 8.974 7.640 1.334 18234 4157 1 20 . 1 1 100 100 ALA N N 101 117.990 117.990 122.099 -4.109 18234 4158 1 20 . 1 1 100 100 ALA H H 101 7.624 7.624 7.814 -0.190 18234 4159 1 20 . 1 1 102 102 ALA N N 103 123.640 123.640 120.542 3.098 18234 4160 1 20 . 1 1 102 102 ALA H H 103 8.726 8.726 8.063 0.663 18234 4161 1 20 . 1 1 103 103 SER N N 104 115.000 115.000 115.151 -0.151 18234 4162 1 20 . 1 1 103 103 SER H H 104 9.114 9.114 7.491 1.623 18234 4163 1 20 . 1 1 104 104 GLY N N 105 125.250 125.250 107.150 18.100 18234 4164 1 20 . 1 1 104 104 GLY H H 105 7.442 7.442 7.502 -0.060 18234 4165 1 20 . 1 1 105 105 TYR N N 106 118.860 118.860 118.173 0.687 18234 4166 1 20 . 1 1 105 105 TYR H H 106 8.524 8.524 7.890 0.634 18234 4167 1 20 . 1 1 107 107 VAL N N 108 127.360 127.360 116.932 10.428 18234 4168 1 20 . 1 1 107 107 VAL H H 108 8.089 8.089 7.950 0.139 18234 4169 1 20 . 1 1 108 108 LYS N N 109 123.480 123.480 119.983 3.497 18234 4170 1 20 . 1 1 108 108 LYS H H 109 8.376 8.376 7.657 0.719 18234 4171 1 20 . 1 1 111 111 THR N N 112 130.470 130.470 113.476 16.994 18234 4172 1 20 . 1 1 111 111 THR H H 112 7.916 7.916 8.280 -0.364 18234 4173 1 20 . 1 1 112 112 ALA N N 113 122.650 122.650 129.497 -6.847 18234 4174 1 20 . 1 1 112 112 ALA H H 113 9.188 9.188 8.759 0.429 18234 4175 1 20 . 1 1 113 113 ALA N N 114 118.690 118.690 121.411 -2.721 18234 4176 1 20 . 1 1 113 113 ALA H H 114 8.212 8.212 8.225 -0.013 18234 4177 1 20 . 1 1 115 115 LEU N N 116 121.770 121.770 125.133 -3.363 18234 4178 1 20 . 1 1 115 115 LEU H H 116 8.235 8.235 7.955 0.280 18234 4179 1 20 . 1 1 116 116 GLU N N 117 119.060 119.060 118.767 0.293 18234 4180 1 20 . 1 1 116 116 GLU H H 117 8.857 8.857 8.171 0.686 18234 4181 1 20 . 1 1 117 117 GLU N N 118 117.750 117.750 121.479 -3.729 18234 4182 1 20 . 1 1 117 117 GLU H H 118 7.670 7.670 8.404 -0.734 18234 4183 1 20 . 1 1 119 119 LEU N N 120 118.400 118.400 120.753 -2.353 18234 4184 1 20 . 1 1 119 119 LEU H H 120 8.543 8.543 7.935 0.608 18234 4185 1 20 . 1 1 120 120 ASN N N 121 115.130 115.130 118.589 -3.459 18234 4186 1 20 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 4187 1 20 . 1 1 121 121 LYS N N 122 119.730 119.730 120.579 -0.849 18234 4188 1 20 . 1 1 121 121 LYS H H 122 7.585 7.585 7.921 -0.336 18234 4189 1 20 . 1 1 122 122 ILE N N 123 120.980 120.980 117.709 3.271 18234 4190 1 20 . 1 1 122 122 ILE H H 123 7.385 7.385 8.153 -0.768 18234 4191 1 20 . 1 1 123 123 PHE N N 124 117.660 117.660 117.050 0.610 18234 4192 1 20 . 1 1 123 123 PHE H H 124 9.111 9.111 8.200 0.911 18234 4193 1 20 . 1 1 124 124 GLU N N 125 119.190 119.190 120.157 -0.967 18234 4194 1 20 . 1 1 124 124 GLU H H 125 8.330 8.330 7.857 0.473 18234 4195 1 20 . 1 1 125 125 LYS N N 126 121.310 121.310 121.035 0.275 18234 4196 1 20 . 1 1 125 125 LYS H H 126 8.317 8.317 8.090 0.227 18234 4197 1 20 . 1 1 127 127 GLY N N 128 110.530 110.530 106.630 3.900 18234 4198 1 20 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 4199 1 20 . 1 1 128 128 MET N N 129 124.430 124.430 118.097 6.333 18234 4200 1 20 . 1 1 128 128 MET H H 129 8.432 8.432 8.173 0.259 18234 4201 1 21 . 1 1 2 2 ASP N N 3 121.390 121.390 121.954 -0.564 18234 4202 1 21 . 1 1 2 2 ASP H H 3 8.589 8.589 8.187 0.402 18234 4203 1 21 . 1 1 3 3 LYS N N 4 122.470 122.470 125.999 -3.529 18234 4204 1 21 . 1 1 3 3 LYS H H 4 8.529 8.529 7.874 0.655 18234 4205 1 21 . 1 1 4 4 GLU N N 5 119.020 119.020 114.978 4.042 18234 4206 1 21 . 1 1 4 4 GLU H H 5 8.702 8.702 8.234 0.468 18234 4207 1 21 . 1 1 5 5 LEU N N 6 124.230 124.230 117.687 6.543 18234 4208 1 21 . 1 1 5 5 LEU H H 6 7.530 7.530 7.246 0.284 18234 4209 1 21 . 1 1 6 6 LYS N N 7 126.090 126.090 120.475 5.615 18234 4210 1 21 . 1 1 6 6 LYS H H 7 8.486 8.486 8.306 0.180 18234 4211 1 21 . 1 1 7 7 PHE N N 8 128.540 128.540 117.117 11.423 18234 4212 1 21 . 1 1 7 7 PHE H H 8 9.206 9.206 6.781 2.425 18234 4213 1 21 . 1 1 8 8 LEU N N 9 121.920 121.920 123.112 -1.192 18234 4214 1 21 . 1 1 8 8 LEU H H 9 8.827 8.827 7.803 1.024 18234 4215 1 21 . 1 1 9 9 VAL N N 10 127.280 127.280 119.381 7.899 18234 4216 1 21 . 1 1 9 9 VAL H H 10 8.983 8.983 8.850 0.133 18234 4217 1 21 . 1 1 10 10 VAL N N 11 127.250 127.250 118.199 9.051 18234 4218 1 21 . 1 1 10 10 VAL H H 11 9.251 9.251 8.285 0.966 18234 4219 1 21 . 1 1 11 11 ASP N N 12 123.770 123.770 123.506 0.264 18234 4220 1 21 . 1 1 11 11 ASP H H 12 8.144 8.144 7.574 0.570 18234 4221 1 21 . 1 1 12 12 ASP N N 13 124.940 124.940 118.638 6.302 18234 4222 1 21 . 1 1 12 12 ASP H H 13 9.709 9.709 8.714 0.995 18234 4223 1 21 . 1 1 14 14 SER N N 15 126.800 126.800 115.476 11.324 18234 4224 1 21 . 1 1 14 14 SER H H 15 9.493 9.493 8.012 1.481 18234 4225 1 21 . 1 1 15 15 THR N N 16 116.700 116.700 113.800 2.900 18234 4226 1 21 . 1 1 15 15 THR H H 16 7.372 7.372 8.641 -1.269 18234 4227 1 21 . 1 1 16 16 MET N N 17 119.000 119.000 118.106 0.894 18234 4228 1 21 . 1 1 16 16 MET H H 17 6.326 6.326 7.856 -1.530 18234 4229 1 21 . 1 1 17 17 ARG N N 18 116.670 116.670 119.940 -3.270 18234 4230 1 21 . 1 1 17 17 ARG H H 18 7.515 7.515 7.758 -0.243 18234 4231 1 21 . 1 1 18 18 ARG N N 19 116.980 116.980 119.430 -2.450 18234 4232 1 21 . 1 1 18 18 ARG H H 19 7.638 7.638 8.594 -0.956 18234 4233 1 21 . 1 1 19 19 ILE N N 20 120.790 120.790 118.751 2.039 18234 4234 1 21 . 1 1 19 19 ILE H H 20 7.789 7.789 8.289 -0.499 18234 4235 1 21 . 1 1 20 20 VAL N N 21 119.340 119.340 120.126 -0.786 18234 4236 1 21 . 1 1 20 20 VAL H H 21 8.389 8.389 8.078 0.311 18234 4237 1 21 . 1 1 21 21 ARG N N 22 119.430 119.430 119.312 0.118 18234 4238 1 21 . 1 1 21 21 ARG H H 22 8.622 8.622 8.084 0.538 18234 4239 1 21 . 1 1 23 23 LEU N N 24 123.390 123.390 120.551 2.839 18234 4240 1 21 . 1 1 23 23 LEU H H 24 8.490 8.490 7.988 0.502 18234 4241 1 21 . 1 1 25 25 LYS N N 26 120.620 120.620 120.096 0.524 18234 4242 1 21 . 1 1 25 25 LYS H H 26 7.932 7.932 7.958 -0.026 18234 4243 1 21 . 1 1 26 26 GLU N N 27 122.290 122.290 118.903 3.387 18234 4244 1 21 . 1 1 26 26 GLU H H 27 7.985 7.985 8.470 -0.485 18234 4245 1 21 . 1 1 27 27 LEU N N 28 117.210 117.210 117.150 0.060 18234 4246 1 21 . 1 1 27 27 LEU H H 28 7.431 7.431 8.162 -0.731 18234 4247 1 21 . 1 1 28 28 GLY N N 29 128.170 128.170 104.349 23.821 18234 4248 1 21 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 4249 1 21 . 1 1 29 29 PHE N N 30 121.140 121.140 120.155 0.985 18234 4250 1 21 . 1 1 29 29 PHE H H 30 8.188 8.188 7.437 0.751 18234 4251 1 21 . 1 1 30 30 ASN N N 31 118.220 118.220 122.897 -4.677 18234 4252 1 21 . 1 1 30 30 ASN H H 31 8.305 8.305 8.751 -0.446 18234 4253 1 21 . 1 1 32 32 VAL N N 33 122.030 122.030 114.901 7.129 18234 4254 1 21 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 4255 1 21 . 1 1 33 33 GLU N N 34 126.880 126.880 119.515 7.365 18234 4256 1 21 . 1 1 33 33 GLU H H 34 9.124 9.124 7.730 1.394 18234 4257 1 21 . 1 1 35 35 ALA N N 36 120.500 120.500 127.362 -6.862 18234 4258 1 21 . 1 1 35 35 ALA H H 36 8.878 8.878 8.265 0.613 18234 4259 1 21 . 1 1 36 36 GLU N N 37 117.420 117.420 127.591 -10.171 18234 4260 1 21 . 1 1 36 36 GLU H H 37 9.476 9.476 8.918 0.558 18234 4261 1 21 . 1 1 37 37 ASP N N 38 131.500 131.500 117.599 13.901 18234 4262 1 21 . 1 1 37 37 ASP H H 38 7.450 7.450 8.242 -0.792 18234 4263 1 21 . 1 1 38 38 GLY N N 39 124.390 124.390 108.430 15.960 18234 4264 1 21 . 1 1 38 38 GLY H H 39 8.148 8.148 7.733 0.415 18234 4265 1 21 . 1 1 39 39 VAL N N 40 122.620 122.620 119.648 2.972 18234 4266 1 21 . 1 1 39 39 VAL H H 40 7.962 7.962 8.002 -0.040 18234 4267 1 21 . 1 1 40 40 ASP N N 41 121.110 121.110 118.824 2.286 18234 4268 1 21 . 1 1 40 40 ASP H H 41 8.518 8.518 8.339 0.179 18234 4269 1 21 . 1 1 41 41 ALA N N 42 116.970 116.970 122.892 -5.922 18234 4270 1 21 . 1 1 41 41 ALA H H 42 8.337 8.337 7.360 0.977 18234 4271 1 21 . 1 1 42 42 LEU N N 43 118.280 118.280 120.042 -1.762 18234 4272 1 21 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 4273 1 21 . 1 1 45 45 LEU N N 46 118.530 118.530 120.843 -2.313 18234 4274 1 21 . 1 1 45 45 LEU H H 46 8.748 8.748 8.122 0.626 18234 4275 1 21 . 1 1 46 46 GLN N N 47 116.820 116.820 118.631 -1.811 18234 4276 1 21 . 1 1 46 46 GLN H H 47 7.865 7.865 8.069 -0.204 18234 4277 1 21 . 1 1 47 47 ALA N N 48 120.460 120.460 122.724 -2.264 18234 4278 1 21 . 1 1 47 47 ALA H H 48 7.611 7.611 8.268 -0.657 18234 4279 1 21 . 1 1 48 48 GLY N N 49 126.280 126.280 108.653 17.627 18234 4280 1 21 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 4281 1 21 . 1 1 49 49 GLY N N 50 125.810 125.810 110.842 14.968 18234 4282 1 21 . 1 1 49 49 GLY H H 50 8.367 8.367 8.510 -0.143 18234 4283 1 21 . 1 1 50 50 TYR N N 51 118.740 118.740 121.037 -2.297 18234 4284 1 21 . 1 1 50 50 TYR H H 51 8.126 8.126 8.307 -0.181 18234 4285 1 21 . 1 1 51 51 GLY N N 52 128.900 128.900 105.845 23.055 18234 4286 1 21 . 1 1 51 51 GLY H H 52 9.556 9.556 7.881 1.675 18234 4287 1 21 . 1 1 52 52 PHE N N 53 121.380 121.380 120.450 0.930 18234 4288 1 21 . 1 1 52 52 PHE H H 53 7.527 7.527 7.885 -0.358 18234 4289 1 21 . 1 1 53 53 VAL N N 54 127.150 127.150 121.210 5.940 18234 4290 1 21 . 1 1 53 53 VAL H H 54 8.246 8.246 8.050 0.196 18234 4291 1 21 . 1 1 54 54 ILE N N 55 128.130 128.130 118.734 9.396 18234 4292 1 21 . 1 1 54 54 ILE H H 55 9.235 9.235 8.146 1.089 18234 4293 1 21 . 1 1 55 55 SER N N 56 118.200 118.200 120.134 -1.934 18234 4294 1 21 . 1 1 55 55 SER H H 56 8.678 8.678 7.844 0.834 18234 4295 1 21 . 1 1 56 56 ASP N N 57 127.290 127.290 115.733 11.557 18234 4296 1 21 . 1 1 56 56 ASP H H 57 8.412 8.412 6.841 1.571 18234 4297 1 21 . 1 1 58 58 ASN N N 59 116.980 116.980 121.102 -4.122 18234 4298 1 21 . 1 1 58 58 ASN H H 59 8.716 8.716 8.513 0.203 18234 4299 1 21 . 1 1 61 61 ASN N N 62 112.140 112.140 119.219 -7.079 18234 4300 1 21 . 1 1 61 61 ASN H H 62 8.598 8.598 7.857 0.741 18234 4301 1 21 . 1 1 62 62 MET N N 63 122.950 122.950 119.608 3.342 18234 4302 1 21 . 1 1 62 62 MET H H 63 9.192 9.192 8.656 0.536 18234 4303 1 21 . 1 1 63 63 ASP N N 64 126.540 126.540 119.613 6.927 18234 4304 1 21 . 1 1 63 63 ASP H H 64 8.518 8.518 8.375 0.143 18234 4305 1 21 . 1 1 65 65 LEU N N 66 121.870 121.870 122.070 -0.200 18234 4306 1 21 . 1 1 65 65 LEU H H 66 7.733 7.733 8.546 -0.813 18234 4307 1 21 . 1 1 66 66 GLU N N 67 119.470 119.470 124.435 -4.965 18234 4308 1 21 . 1 1 66 66 GLU H H 67 8.085 8.085 8.184 -0.099 18234 4309 1 21 . 1 1 67 67 LEU N N 68 123.910 123.910 118.704 5.206 18234 4310 1 21 . 1 1 67 67 LEU H H 68 8.299 8.299 7.996 0.303 18234 4311 1 21 . 1 1 68 68 LEU N N 69 120.640 120.640 121.054 -0.414 18234 4312 1 21 . 1 1 68 68 LEU H H 69 8.249 8.249 7.681 0.568 18234 4313 1 21 . 1 1 69 69 LYS N N 70 116.080 116.080 120.240 -4.160 18234 4314 1 21 . 1 1 69 69 LYS H H 70 8.400 8.400 8.563 -0.163 18234 4315 1 21 . 1 1 70 70 THR N N 71 117.490 117.490 114.149 3.341 18234 4316 1 21 . 1 1 70 70 THR H H 71 8.028 8.028 7.808 0.221 18234 4317 1 21 . 1 1 71 71 ILE N N 72 123.640 123.640 120.673 2.967 18234 4318 1 21 . 1 1 71 71 ILE H H 72 8.459 8.459 7.470 0.989 18234 4319 1 21 . 1 1 72 72 ARG N N 73 113.350 113.350 118.803 -5.453 18234 4320 1 21 . 1 1 72 72 ARG H H 73 8.112 8.112 8.357 -0.245 18234 4321 1 21 . 1 1 73 73 ALA N N 74 118.900 118.900 122.499 -3.599 18234 4322 1 21 . 1 1 73 73 ALA H H 74 7.286 7.286 8.239 -0.953 18234 4323 1 21 . 1 1 74 74 ASP N N 75 121.870 121.870 120.594 1.276 18234 4324 1 21 . 1 1 74 74 ASP H H 75 7.399 7.399 7.810 -0.411 18234 4325 1 21 . 1 1 75 75 GLY N N 76 112.230 112.230 106.758 5.472 18234 4326 1 21 . 1 1 75 75 GLY H H 76 8.728 8.728 8.223 0.505 18234 4327 1 21 . 1 1 76 76 ALA N N 77 121.970 121.970 119.483 2.487 18234 4328 1 21 . 1 1 76 76 ALA H H 77 8.558 8.558 7.807 0.751 18234 4329 1 21 . 1 1 77 77 MET N N 78 116.180 116.180 117.330 -1.150 18234 4330 1 21 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 4331 1 21 . 1 1 78 78 SER N N 79 112.910 112.910 113.960 -1.050 18234 4332 1 21 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 4333 1 21 . 1 1 79 79 ALA N N 80 123.080 123.080 121.782 1.298 18234 4334 1 21 . 1 1 79 79 ALA H H 80 8.246 8.246 8.049 0.197 18234 4335 1 21 . 1 1 80 80 LEU N N 81 124.130 124.130 120.479 3.651 18234 4336 1 21 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 4337 1 21 . 1 1 82 82 VAL N N 83 118.860 118.860 123.983 -5.123 18234 4338 1 21 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 4339 1 21 . 1 1 83 83 LEU N N 84 130.450 130.450 115.498 14.952 18234 4340 1 21 . 1 1 83 83 LEU H H 84 9.135 9.135 7.928 1.207 18234 4341 1 21 . 1 1 84 84 MET N N 85 124.080 124.080 113.608 10.472 18234 4342 1 21 . 1 1 84 84 MET H H 85 7.855 7.855 8.546 -0.691 18234 4343 1 21 . 1 1 85 85 VAL N N 86 124.810 124.810 122.638 2.172 18234 4344 1 21 . 1 1 85 85 VAL H H 86 9.198 9.198 7.634 1.564 18234 4345 1 21 . 1 1 86 86 THR N N 87 116.560 116.560 114.527 2.033 18234 4346 1 21 . 1 1 86 86 THR H H 87 8.715 8.715 8.637 0.078 18234 4347 1 21 . 1 1 87 87 ALA N N 88 125.460 125.460 122.459 3.001 18234 4348 1 21 . 1 1 87 87 ALA H H 88 8.807 8.807 7.726 1.081 18234 4349 1 21 . 1 1 89 89 ALA N N 90 129.990 129.990 123.949 6.041 18234 4350 1 21 . 1 1 89 89 ALA H H 90 9.090 9.090 7.756 1.334 18234 4351 1 21 . 1 1 90 90 LYS N N 91 121.030 121.030 118.964 2.066 18234 4352 1 21 . 1 1 90 90 LYS H H 91 7.197 7.197 7.986 -0.789 18234 4353 1 21 . 1 1 92 92 GLU N N 93 116.280 116.280 119.472 -3.192 18234 4354 1 21 . 1 1 92 92 GLU H H 93 9.648 9.648 8.390 1.258 18234 4355 1 21 . 1 1 93 93 ASN N N 94 117.030 117.030 120.815 -3.785 18234 4356 1 21 . 1 1 93 93 ASN H H 94 7.116 7.116 8.382 -1.266 18234 4357 1 21 . 1 1 94 94 ILE N N 95 121.110 121.110 122.391 -1.281 18234 4358 1 21 . 1 1 94 94 ILE H H 95 7.546 7.546 8.144 -0.598 18234 4359 1 21 . 1 1 95 95 ILE N N 96 117.160 117.160 120.373 -3.213 18234 4360 1 21 . 1 1 95 95 ILE H H 96 8.172 8.172 8.120 0.052 18234 4361 1 21 . 1 1 96 96 ALA N N 97 120.060 120.060 122.326 -2.266 18234 4362 1 21 . 1 1 96 96 ALA H H 97 7.541 7.541 8.018 -0.477 18234 4363 1 21 . 1 1 97 97 ALA N N 98 119.150 119.150 122.959 -3.809 18234 4364 1 21 . 1 1 97 97 ALA H H 98 8.524 8.524 8.266 0.258 18234 4365 1 21 . 1 1 99 99 GLN N N 100 118.210 118.210 119.249 -1.039 18234 4366 1 21 . 1 1 99 99 GLN H H 100 8.974 8.974 7.669 1.305 18234 4367 1 21 . 1 1 100 100 ALA N N 101 117.990 117.990 122.157 -4.167 18234 4368 1 21 . 1 1 100 100 ALA H H 101 7.624 7.624 7.860 -0.236 18234 4369 1 21 . 1 1 102 102 ALA N N 103 123.640 123.640 120.615 3.025 18234 4370 1 21 . 1 1 102 102 ALA H H 103 8.726 8.726 8.133 0.593 18234 4371 1 21 . 1 1 103 103 SER N N 104 115.000 115.000 115.216 -0.216 18234 4372 1 21 . 1 1 103 103 SER H H 104 9.114 9.114 7.566 1.548 18234 4373 1 21 . 1 1 104 104 GLY N N 105 125.250 125.250 107.261 17.989 18234 4374 1 21 . 1 1 104 104 GLY H H 105 7.442 7.442 7.647 -0.205 18234 4375 1 21 . 1 1 105 105 TYR N N 106 118.860 118.860 118.286 0.574 18234 4376 1 21 . 1 1 105 105 TYR H H 106 8.524 8.524 7.995 0.529 18234 4377 1 21 . 1 1 107 107 VAL N N 108 127.360 127.360 116.935 10.425 18234 4378 1 21 . 1 1 107 107 VAL H H 108 8.089 8.089 7.993 0.096 18234 4379 1 21 . 1 1 108 108 LYS N N 109 123.480 123.480 119.971 3.509 18234 4380 1 21 . 1 1 108 108 LYS H H 109 8.376 8.376 7.654 0.722 18234 4381 1 21 . 1 1 111 111 THR N N 112 130.470 130.470 113.489 16.981 18234 4382 1 21 . 1 1 111 111 THR H H 112 7.916 7.916 8.293 -0.377 18234 4383 1 21 . 1 1 112 112 ALA N N 113 122.650 122.650 129.493 -6.843 18234 4384 1 21 . 1 1 112 112 ALA H H 113 9.188 9.188 8.760 0.428 18234 4385 1 21 . 1 1 113 113 ALA N N 114 118.690 118.690 121.429 -2.739 18234 4386 1 21 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 4387 1 21 . 1 1 115 115 LEU N N 116 121.770 121.770 125.201 -3.431 18234 4388 1 21 . 1 1 115 115 LEU H H 116 8.235 8.235 7.977 0.258 18234 4389 1 21 . 1 1 116 116 GLU N N 117 119.060 119.060 118.784 0.276 18234 4390 1 21 . 1 1 116 116 GLU H H 117 8.857 8.857 8.174 0.683 18234 4391 1 21 . 1 1 117 117 GLU N N 118 117.750 117.750 121.490 -3.740 18234 4392 1 21 . 1 1 117 117 GLU H H 118 7.670 7.670 8.405 -0.735 18234 4393 1 21 . 1 1 119 119 LEU N N 120 118.400 118.400 120.766 -2.366 18234 4394 1 21 . 1 1 119 119 LEU H H 120 8.543 8.543 7.943 0.600 18234 4395 1 21 . 1 1 120 120 ASN N N 121 115.130 115.130 118.600 -3.470 18234 4396 1 21 . 1 1 120 120 ASN H H 121 8.605 8.605 8.011 0.594 18234 4397 1 21 . 1 1 121 121 LYS N N 122 119.730 119.730 120.556 -0.826 18234 4398 1 21 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 4399 1 21 . 1 1 122 122 ILE N N 123 120.980 120.980 117.716 3.264 18234 4400 1 21 . 1 1 122 122 ILE H H 123 7.385 7.385 8.156 -0.771 18234 4401 1 21 . 1 1 123 123 PHE N N 124 117.660 117.660 117.051 0.609 18234 4402 1 21 . 1 1 123 123 PHE H H 124 9.111 9.111 8.201 0.910 18234 4403 1 21 . 1 1 124 124 GLU N N 125 119.190 119.190 120.161 -0.971 18234 4404 1 21 . 1 1 124 124 GLU H H 125 8.330 8.330 7.854 0.476 18234 4405 1 21 . 1 1 125 125 LYS N N 126 121.310 121.310 121.036 0.274 18234 4406 1 21 . 1 1 125 125 LYS H H 126 8.317 8.317 8.085 0.232 18234 4407 1 21 . 1 1 127 127 GLY N N 128 110.530 110.530 106.631 3.899 18234 4408 1 21 . 1 1 127 127 GLY H H 128 7.966 7.966 7.749 0.217 18234 4409 1 21 . 1 1 128 128 MET N N 129 124.430 124.430 118.193 6.237 18234 4410 1 21 . 1 1 128 128 MET H H 129 8.432 8.432 8.199 0.233 18234 4411 1 22 . 1 1 2 2 ASP N N 3 121.390 121.390 123.121 -1.731 18234 4412 1 22 . 1 1 2 2 ASP H H 3 8.589 8.589 8.396 0.193 18234 4413 1 22 . 1 1 3 3 LYS N N 4 122.470 122.470 127.395 -4.925 18234 4414 1 22 . 1 1 3 3 LYS H H 4 8.529 8.529 8.838 -0.309 18234 4415 1 22 . 1 1 4 4 GLU N N 5 119.020 119.020 116.820 2.200 18234 4416 1 22 . 1 1 4 4 GLU H H 5 8.702 8.702 7.790 0.912 18234 4417 1 22 . 1 1 5 5 LEU N N 6 124.230 124.230 120.734 3.496 18234 4418 1 22 . 1 1 5 5 LEU H H 6 7.530 7.530 8.346 -0.816 18234 4419 1 22 . 1 1 6 6 LYS N N 7 126.090 126.090 119.352 6.738 18234 4420 1 22 . 1 1 6 6 LYS H H 7 8.486 8.486 7.525 0.961 18234 4421 1 22 . 1 1 7 7 PHE N N 8 128.540 128.540 116.424 12.116 18234 4422 1 22 . 1 1 7 7 PHE H H 8 9.206 9.206 7.537 1.669 18234 4423 1 22 . 1 1 8 8 LEU N N 9 121.920 121.920 122.194 -0.274 18234 4424 1 22 . 1 1 8 8 LEU H H 9 8.827 8.827 7.921 0.906 18234 4425 1 22 . 1 1 9 9 VAL N N 10 127.280 127.280 119.111 8.169 18234 4426 1 22 . 1 1 9 9 VAL H H 10 8.983 8.983 8.985 -0.002 18234 4427 1 22 . 1 1 10 10 VAL N N 11 127.250 127.250 119.431 7.819 18234 4428 1 22 . 1 1 10 10 VAL H H 11 9.251 9.251 8.525 0.726 18234 4429 1 22 . 1 1 11 11 ASP N N 12 123.770 123.770 124.253 -0.483 18234 4430 1 22 . 1 1 11 11 ASP H H 12 8.144 8.144 7.676 0.468 18234 4431 1 22 . 1 1 12 12 ASP N N 13 124.940 124.940 119.141 5.799 18234 4432 1 22 . 1 1 12 12 ASP H H 13 9.709 9.709 8.939 0.770 18234 4433 1 22 . 1 1 14 14 SER N N 15 126.800 126.800 116.124 10.676 18234 4434 1 22 . 1 1 14 14 SER H H 15 9.493 9.493 8.032 1.461 18234 4435 1 22 . 1 1 15 15 THR N N 16 116.700 116.700 114.412 2.288 18234 4436 1 22 . 1 1 15 15 THR H H 16 7.372 7.372 8.533 -1.161 18234 4437 1 22 . 1 1 16 16 MET N N 17 119.000 119.000 118.071 0.929 18234 4438 1 22 . 1 1 16 16 MET H H 17 6.326 6.326 7.813 -1.487 18234 4439 1 22 . 1 1 17 17 ARG N N 18 116.670 116.670 119.920 -3.250 18234 4440 1 22 . 1 1 17 17 ARG H H 18 7.515 7.515 7.738 -0.223 18234 4441 1 22 . 1 1 18 18 ARG N N 19 116.980 116.980 119.427 -2.447 18234 4442 1 22 . 1 1 18 18 ARG H H 19 7.638 7.638 8.573 -0.935 18234 4443 1 22 . 1 1 19 19 ILE N N 20 120.790 120.790 118.740 2.050 18234 4444 1 22 . 1 1 19 19 ILE H H 20 7.789 7.789 8.268 -0.479 18234 4445 1 22 . 1 1 20 20 VAL N N 21 119.340 119.340 120.118 -0.778 18234 4446 1 22 . 1 1 20 20 VAL H H 21 8.389 8.389 8.071 0.318 18234 4447 1 22 . 1 1 21 21 ARG N N 22 119.430 119.430 119.315 0.115 18234 4448 1 22 . 1 1 21 21 ARG H H 22 8.622 8.622 8.079 0.543 18234 4449 1 22 . 1 1 23 23 LEU N N 24 123.390 123.390 120.556 2.834 18234 4450 1 22 . 1 1 23 23 LEU H H 24 8.490 8.490 7.986 0.504 18234 4451 1 22 . 1 1 25 25 LYS N N 26 120.620 120.620 120.093 0.527 18234 4452 1 22 . 1 1 25 25 LYS H H 26 7.932 7.932 7.951 -0.019 18234 4453 1 22 . 1 1 26 26 GLU N N 27 122.290 122.290 118.894 3.396 18234 4454 1 22 . 1 1 26 26 GLU H H 27 7.985 7.985 8.462 -0.477 18234 4455 1 22 . 1 1 27 27 LEU N N 28 117.210 117.210 117.137 0.073 18234 4456 1 22 . 1 1 27 27 LEU H H 28 7.431 7.431 8.150 -0.719 18234 4457 1 22 . 1 1 28 28 GLY N N 29 128.170 128.170 104.358 23.812 18234 4458 1 22 . 1 1 28 28 GLY H H 29 7.735 7.735 7.642 0.093 18234 4459 1 22 . 1 1 29 29 PHE N N 30 121.140 121.140 120.167 0.973 18234 4460 1 22 . 1 1 29 29 PHE H H 30 8.188 8.188 7.429 0.759 18234 4461 1 22 . 1 1 30 30 ASN N N 31 118.220 118.220 122.966 -4.746 18234 4462 1 22 . 1 1 30 30 ASN H H 31 8.305 8.305 8.606 -0.301 18234 4463 1 22 . 1 1 32 32 VAL N N 33 122.030 122.030 114.886 7.144 18234 4464 1 22 . 1 1 32 32 VAL H H 33 7.522 7.522 8.721 -1.199 18234 4465 1 22 . 1 1 33 33 GLU N N 34 126.880 126.880 119.525 7.355 18234 4466 1 22 . 1 1 33 33 GLU H H 34 9.124 9.124 7.728 1.396 18234 4467 1 22 . 1 1 35 35 ALA N N 36 120.500 120.500 126.145 -5.645 18234 4468 1 22 . 1 1 35 35 ALA H H 36 8.878 8.878 8.079 0.799 18234 4469 1 22 . 1 1 36 36 GLU N N 37 117.420 117.420 127.605 -10.185 18234 4470 1 22 . 1 1 36 36 GLU H H 37 9.476 9.476 8.921 0.555 18234 4471 1 22 . 1 1 37 37 ASP N N 38 131.500 131.500 117.487 14.013 18234 4472 1 22 . 1 1 37 37 ASP H H 38 7.450 7.450 8.120 -0.670 18234 4473 1 22 . 1 1 38 38 GLY N N 39 124.390 124.390 108.346 16.044 18234 4474 1 22 . 1 1 38 38 GLY H H 39 8.148 8.148 7.765 0.383 18234 4475 1 22 . 1 1 39 39 VAL N N 40 122.620 122.620 119.954 2.666 18234 4476 1 22 . 1 1 39 39 VAL H H 40 7.962 7.962 8.062 -0.100 18234 4477 1 22 . 1 1 40 40 ASP N N 41 121.110 121.110 119.009 2.101 18234 4478 1 22 . 1 1 40 40 ASP H H 41 8.518 8.518 8.304 0.214 18234 4479 1 22 . 1 1 41 41 ALA N N 42 116.970 116.970 122.776 -5.806 18234 4480 1 22 . 1 1 41 41 ALA H H 42 8.337 8.337 7.334 1.003 18234 4481 1 22 . 1 1 42 42 LEU N N 43 118.280 118.280 120.032 -1.752 18234 4482 1 22 . 1 1 42 42 LEU H H 43 8.121 8.121 7.501 0.620 18234 4483 1 22 . 1 1 45 45 LEU N N 46 118.530 118.530 120.593 -2.063 18234 4484 1 22 . 1 1 45 45 LEU H H 46 8.748 8.748 8.072 0.676 18234 4485 1 22 . 1 1 46 46 GLN N N 47 116.820 116.820 118.631 -1.811 18234 4486 1 22 . 1 1 46 46 GLN H H 47 7.865 7.865 8.063 -0.198 18234 4487 1 22 . 1 1 47 47 ALA N N 48 120.460 120.460 122.735 -2.275 18234 4488 1 22 . 1 1 47 47 ALA H H 48 7.611 7.611 8.268 -0.657 18234 4489 1 22 . 1 1 48 48 GLY N N 49 126.280 126.280 108.644 17.636 18234 4490 1 22 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 4491 1 22 . 1 1 49 49 GLY N N 50 125.810 125.810 110.910 14.900 18234 4492 1 22 . 1 1 49 49 GLY H H 50 8.367 8.367 8.463 -0.096 18234 4493 1 22 . 1 1 50 50 TYR N N 51 118.740 118.740 121.036 -2.296 18234 4494 1 22 . 1 1 50 50 TYR H H 51 8.126 8.126 8.294 -0.168 18234 4495 1 22 . 1 1 51 51 GLY N N 52 128.900 128.900 105.948 22.952 18234 4496 1 22 . 1 1 51 51 GLY H H 52 9.556 9.556 7.929 1.627 18234 4497 1 22 . 1 1 52 52 PHE N N 53 121.380 121.380 120.702 0.678 18234 4498 1 22 . 1 1 52 52 PHE H H 53 7.527 7.527 7.991 -0.464 18234 4499 1 22 . 1 1 53 53 VAL N N 54 127.150 127.150 121.457 5.693 18234 4500 1 22 . 1 1 53 53 VAL H H 54 8.246 8.246 8.187 0.059 18234 4501 1 22 . 1 1 54 54 ILE N N 55 128.130 128.130 118.488 9.642 18234 4502 1 22 . 1 1 54 54 ILE H H 55 9.235 9.235 8.376 0.859 18234 4503 1 22 . 1 1 55 55 SER N N 56 118.200 118.200 118.870 -0.670 18234 4504 1 22 . 1 1 55 55 SER H H 56 8.678 8.678 8.274 0.404 18234 4505 1 22 . 1 1 56 56 ASP N N 57 127.290 127.290 118.842 8.448 18234 4506 1 22 . 1 1 56 56 ASP H H 57 8.412 8.412 7.847 0.565 18234 4507 1 22 . 1 1 58 58 ASN N N 59 116.980 116.980 120.756 -3.776 18234 4508 1 22 . 1 1 58 58 ASN H H 59 8.716 8.716 8.296 0.420 18234 4509 1 22 . 1 1 61 61 ASN N N 62 112.140 112.140 118.795 -6.655 18234 4510 1 22 . 1 1 61 61 ASN H H 62 8.598 8.598 7.812 0.786 18234 4511 1 22 . 1 1 62 62 MET N N 63 122.950 122.950 119.884 3.066 18234 4512 1 22 . 1 1 62 62 MET H H 63 9.192 9.192 8.588 0.604 18234 4513 1 22 . 1 1 63 63 ASP N N 64 126.540 126.540 119.683 6.857 18234 4514 1 22 . 1 1 63 63 ASP H H 64 8.518 8.518 8.417 0.101 18234 4515 1 22 . 1 1 65 65 LEU N N 66 121.870 121.870 122.906 -1.036 18234 4516 1 22 . 1 1 65 65 LEU H H 66 7.733 7.733 8.443 -0.710 18234 4517 1 22 . 1 1 66 66 GLU N N 67 119.470 119.470 124.455 -4.985 18234 4518 1 22 . 1 1 66 66 GLU H H 67 8.085 8.085 8.214 -0.129 18234 4519 1 22 . 1 1 67 67 LEU N N 68 123.910 123.910 118.863 5.047 18234 4520 1 22 . 1 1 67 67 LEU H H 68 8.299 8.299 8.057 0.242 18234 4521 1 22 . 1 1 68 68 LEU N N 69 120.640 120.640 121.050 -0.410 18234 4522 1 22 . 1 1 68 68 LEU H H 69 8.249 8.249 7.674 0.575 18234 4523 1 22 . 1 1 69 69 LYS N N 70 116.080 116.080 120.219 -4.139 18234 4524 1 22 . 1 1 69 69 LYS H H 70 8.400 8.400 8.564 -0.164 18234 4525 1 22 . 1 1 70 70 THR N N 71 117.490 117.490 114.153 3.337 18234 4526 1 22 . 1 1 70 70 THR H H 71 8.028 8.028 7.804 0.224 18234 4527 1 22 . 1 1 71 71 ILE N N 72 123.640 123.640 120.637 3.003 18234 4528 1 22 . 1 1 71 71 ILE H H 72 8.459 8.459 7.479 0.980 18234 4529 1 22 . 1 1 72 72 ARG N N 73 113.350 113.350 118.800 -5.450 18234 4530 1 22 . 1 1 72 72 ARG H H 73 8.112 8.112 8.353 -0.241 18234 4531 1 22 . 1 1 73 73 ALA N N 74 118.900 118.900 122.504 -3.604 18234 4532 1 22 . 1 1 73 73 ALA H H 74 7.286 7.286 8.243 -0.957 18234 4533 1 22 . 1 1 74 74 ASP N N 75 121.870 121.870 120.587 1.283 18234 4534 1 22 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 4535 1 22 . 1 1 75 75 GLY N N 76 112.230 112.230 106.763 5.467 18234 4536 1 22 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 4537 1 22 . 1 1 76 76 ALA N N 77 121.970 121.970 119.496 2.474 18234 4538 1 22 . 1 1 76 76 ALA H H 77 8.558 8.558 7.808 0.750 18234 4539 1 22 . 1 1 77 77 MET N N 78 116.180 116.180 117.349 -1.169 18234 4540 1 22 . 1 1 77 77 MET H H 78 8.477 8.477 8.077 0.400 18234 4541 1 22 . 1 1 78 78 SER N N 79 112.910 112.910 113.958 -1.048 18234 4542 1 22 . 1 1 78 78 SER H H 79 7.436 7.436 7.467 -0.031 18234 4543 1 22 . 1 1 79 79 ALA N N 80 123.080 123.080 121.774 1.306 18234 4544 1 22 . 1 1 79 79 ALA H H 80 8.246 8.246 8.048 0.198 18234 4545 1 22 . 1 1 80 80 LEU N N 81 124.130 124.130 120.483 3.647 18234 4546 1 22 . 1 1 80 80 LEU H H 81 7.816 7.816 7.386 0.430 18234 4547 1 22 . 1 1 82 82 VAL N N 83 118.860 118.860 123.972 -5.112 18234 4548 1 22 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 4549 1 22 . 1 1 83 83 LEU N N 84 130.450 130.450 115.493 14.957 18234 4550 1 22 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 4551 1 22 . 1 1 84 84 MET N N 85 124.080 124.080 113.609 10.471 18234 4552 1 22 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 4553 1 22 . 1 1 85 85 VAL N N 86 124.810 124.810 122.642 2.168 18234 4554 1 22 . 1 1 85 85 VAL H H 86 9.198 9.198 7.634 1.564 18234 4555 1 22 . 1 1 86 86 THR N N 87 116.560 116.560 114.514 2.046 18234 4556 1 22 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 4557 1 22 . 1 1 87 87 ALA N N 88 125.460 125.460 122.460 3.000 18234 4558 1 22 . 1 1 87 87 ALA H H 88 8.807 8.807 7.721 1.086 18234 4559 1 22 . 1 1 89 89 ALA N N 90 129.990 129.990 123.944 6.046 18234 4560 1 22 . 1 1 89 89 ALA H H 90 9.090 9.090 7.750 1.340 18234 4561 1 22 . 1 1 90 90 LYS N N 91 121.030 121.030 118.968 2.062 18234 4562 1 22 . 1 1 90 90 LYS H H 91 7.197 7.197 7.979 -0.782 18234 4563 1 22 . 1 1 92 92 GLU N N 93 116.280 116.280 119.450 -3.170 18234 4564 1 22 . 1 1 92 92 GLU H H 93 9.648 9.648 8.384 1.264 18234 4565 1 22 . 1 1 93 93 ASN N N 94 117.030 117.030 120.807 -3.777 18234 4566 1 22 . 1 1 93 93 ASN H H 94 7.116 7.116 8.374 -1.258 18234 4567 1 22 . 1 1 94 94 ILE N N 95 121.110 121.110 122.380 -1.270 18234 4568 1 22 . 1 1 94 94 ILE H H 95 7.546 7.546 8.128 -0.582 18234 4569 1 22 . 1 1 95 95 ILE N N 96 117.160 117.160 120.358 -3.198 18234 4570 1 22 . 1 1 95 95 ILE H H 96 8.172 8.172 8.113 0.059 18234 4571 1 22 . 1 1 96 96 ALA N N 97 120.060 120.060 122.295 -2.235 18234 4572 1 22 . 1 1 96 96 ALA H H 97 7.541 7.541 8.003 -0.462 18234 4573 1 22 . 1 1 97 97 ALA N N 98 119.150 119.150 122.953 -3.803 18234 4574 1 22 . 1 1 97 97 ALA H H 98 8.524 8.524 8.246 0.278 18234 4575 1 22 . 1 1 99 99 GLN N N 100 118.210 118.210 119.251 -1.041 18234 4576 1 22 . 1 1 99 99 GLN H H 100 8.974 8.974 7.661 1.313 18234 4577 1 22 . 1 1 100 100 ALA N N 101 117.990 117.990 122.126 -4.136 18234 4578 1 22 . 1 1 100 100 ALA H H 101 7.624 7.624 7.844 -0.220 18234 4579 1 22 . 1 1 102 102 ALA N N 103 123.640 123.640 120.697 2.943 18234 4580 1 22 . 1 1 102 102 ALA H H 103 8.726 8.726 8.168 0.558 18234 4581 1 22 . 1 1 103 103 SER N N 104 115.000 115.000 115.256 -0.256 18234 4582 1 22 . 1 1 103 103 SER H H 104 9.114 9.114 7.589 1.525 18234 4583 1 22 . 1 1 104 104 GLY N N 105 125.250 125.250 107.294 17.956 18234 4584 1 22 . 1 1 104 104 GLY H H 105 7.442 7.442 7.658 -0.216 18234 4585 1 22 . 1 1 105 105 TYR N N 106 118.860 118.860 118.464 0.396 18234 4586 1 22 . 1 1 105 105 TYR H H 106 8.524 8.524 8.268 0.256 18234 4587 1 22 . 1 1 107 107 VAL N N 108 127.360 127.360 116.948 10.412 18234 4588 1 22 . 1 1 107 107 VAL H H 108 8.089 8.089 7.995 0.094 18234 4589 1 22 . 1 1 108 108 LYS N N 109 123.480 123.480 120.000 3.480 18234 4590 1 22 . 1 1 108 108 LYS H H 109 8.376 8.376 7.695 0.681 18234 4591 1 22 . 1 1 111 111 THR N N 112 130.470 130.470 113.473 16.997 18234 4592 1 22 . 1 1 111 111 THR H H 112 7.916 7.916 8.288 -0.372 18234 4593 1 22 . 1 1 112 112 ALA N N 113 122.650 122.650 129.501 -6.851 18234 4594 1 22 . 1 1 112 112 ALA H H 113 9.188 9.188 8.760 0.428 18234 4595 1 22 . 1 1 113 113 ALA N N 114 118.690 118.690 121.423 -2.733 18234 4596 1 22 . 1 1 113 113 ALA H H 114 8.212 8.212 8.224 -0.012 18234 4597 1 22 . 1 1 115 115 LEU N N 116 121.770 121.770 125.130 -3.360 18234 4598 1 22 . 1 1 115 115 LEU H H 116 8.235 8.235 7.957 0.278 18234 4599 1 22 . 1 1 116 116 GLU N N 117 119.060 119.060 118.777 0.283 18234 4600 1 22 . 1 1 116 116 GLU H H 117 8.857 8.857 8.173 0.684 18234 4601 1 22 . 1 1 117 117 GLU N N 118 117.750 117.750 121.481 -3.731 18234 4602 1 22 . 1 1 117 117 GLU H H 118 7.670 7.670 8.402 -0.732 18234 4603 1 22 . 1 1 119 119 LEU N N 120 118.400 118.400 120.673 -2.273 18234 4604 1 22 . 1 1 119 119 LEU H H 120 8.543 8.543 7.974 0.569 18234 4605 1 22 . 1 1 120 120 ASN N N 121 115.130 115.130 118.587 -3.457 18234 4606 1 22 . 1 1 120 120 ASN H H 121 8.605 8.605 8.009 0.596 18234 4607 1 22 . 1 1 121 121 LYS N N 122 119.730 119.730 120.557 -0.827 18234 4608 1 22 . 1 1 121 121 LYS H H 122 7.585 7.585 7.914 -0.329 18234 4609 1 22 . 1 1 122 122 ILE N N 123 120.980 120.980 117.717 3.263 18234 4610 1 22 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.770 18234 4611 1 22 . 1 1 123 123 PHE N N 124 117.660 117.660 117.062 0.598 18234 4612 1 22 . 1 1 123 123 PHE H H 124 9.111 9.111 8.198 0.913 18234 4613 1 22 . 1 1 124 124 GLU N N 125 119.190 119.190 120.152 -0.962 18234 4614 1 22 . 1 1 124 124 GLU H H 125 8.330 8.330 7.854 0.476 18234 4615 1 22 . 1 1 125 125 LYS N N 126 121.310 121.310 121.040 0.270 18234 4616 1 22 . 1 1 125 125 LYS H H 126 8.317 8.317 8.088 0.229 18234 4617 1 22 . 1 1 127 127 GLY N N 128 110.530 110.530 106.629 3.901 18234 4618 1 22 . 1 1 127 127 GLY H H 128 7.966 7.966 7.746 0.220 18234 4619 1 22 . 1 1 128 128 MET N N 129 124.430 124.430 118.166 6.264 18234 4620 1 22 . 1 1 128 128 MET H H 129 8.432 8.432 8.185 0.247 18234 4621 1 23 . 1 1 2 2 ASP N N 3 121.390 121.390 122.304 -0.914 18234 4622 1 23 . 1 1 2 2 ASP H H 3 8.589 8.589 8.696 -0.107 18234 4623 1 23 . 1 1 3 3 LYS N N 4 122.470 122.470 116.903 5.567 18234 4624 1 23 . 1 1 3 3 LYS H H 4 8.529 8.529 7.967 0.562 18234 4625 1 23 . 1 1 4 4 GLU N N 5 119.020 119.020 120.883 -1.863 18234 4626 1 23 . 1 1 4 4 GLU H H 5 8.702 8.702 8.357 0.345 18234 4627 1 23 . 1 1 5 5 LEU N N 6 124.230 124.230 119.221 5.009 18234 4628 1 23 . 1 1 5 5 LEU H H 6 7.530 7.530 7.486 0.044 18234 4629 1 23 . 1 1 6 6 LYS N N 7 126.090 126.090 121.980 4.110 18234 4630 1 23 . 1 1 6 6 LYS H H 7 8.486 8.486 7.903 0.583 18234 4631 1 23 . 1 1 7 7 PHE N N 8 128.540 128.540 115.582 12.958 18234 4632 1 23 . 1 1 7 7 PHE H H 8 9.206 9.206 7.666 1.540 18234 4633 1 23 . 1 1 8 8 LEU N N 9 121.920 121.920 121.820 0.100 18234 4634 1 23 . 1 1 8 8 LEU H H 9 8.827 8.827 7.955 0.872 18234 4635 1 23 . 1 1 9 9 VAL N N 10 127.280 127.280 120.496 6.784 18234 4636 1 23 . 1 1 9 9 VAL H H 10 8.983 8.983 8.661 0.322 18234 4637 1 23 . 1 1 10 10 VAL N N 11 127.250 127.250 119.762 7.488 18234 4638 1 23 . 1 1 10 10 VAL H H 11 9.251 9.251 8.461 0.790 18234 4639 1 23 . 1 1 11 11 ASP N N 12 123.770 123.770 124.251 -0.481 18234 4640 1 23 . 1 1 11 11 ASP H H 12 8.144 8.144 7.675 0.469 18234 4641 1 23 . 1 1 12 12 ASP N N 13 124.940 124.940 118.586 6.354 18234 4642 1 23 . 1 1 12 12 ASP H H 13 9.709 9.709 8.752 0.957 18234 4643 1 23 . 1 1 14 14 SER N N 15 126.800 126.800 115.611 11.189 18234 4644 1 23 . 1 1 14 14 SER H H 15 9.493 9.493 8.118 1.375 18234 4645 1 23 . 1 1 15 15 THR N N 16 116.700 116.700 114.512 2.188 18234 4646 1 23 . 1 1 15 15 THR H H 16 7.372 7.372 8.599 -1.227 18234 4647 1 23 . 1 1 16 16 MET N N 17 119.000 119.000 118.103 0.897 18234 4648 1 23 . 1 1 16 16 MET H H 17 6.326 6.326 7.856 -1.530 18234 4649 1 23 . 1 1 17 17 ARG N N 18 116.670 116.670 119.943 -3.273 18234 4650 1 23 . 1 1 17 17 ARG H H 18 7.515 7.515 7.763 -0.248 18234 4651 1 23 . 1 1 18 18 ARG N N 19 116.980 116.980 119.441 -2.461 18234 4652 1 23 . 1 1 18 18 ARG H H 19 7.638 7.638 8.599 -0.961 18234 4653 1 23 . 1 1 19 19 ILE N N 20 120.790 120.790 118.765 2.025 18234 4654 1 23 . 1 1 19 19 ILE H H 20 7.789 7.789 8.292 -0.503 18234 4655 1 23 . 1 1 20 20 VAL N N 21 119.340 119.340 120.131 -0.791 18234 4656 1 23 . 1 1 20 20 VAL H H 21 8.389 8.389 8.081 0.308 18234 4657 1 23 . 1 1 21 21 ARG N N 22 119.430 119.430 119.311 0.119 18234 4658 1 23 . 1 1 21 21 ARG H H 22 8.622 8.622 8.086 0.536 18234 4659 1 23 . 1 1 23 23 LEU N N 24 123.390 123.390 120.572 2.818 18234 4660 1 23 . 1 1 23 23 LEU H H 24 8.490 8.490 7.991 0.499 18234 4661 1 23 . 1 1 25 25 LYS N N 26 120.620 120.620 120.100 0.520 18234 4662 1 23 . 1 1 25 25 LYS H H 26 7.932 7.932 7.958 -0.026 18234 4663 1 23 . 1 1 26 26 GLU N N 27 122.290 122.290 118.899 3.391 18234 4664 1 23 . 1 1 26 26 GLU H H 27 7.985 7.985 8.464 -0.479 18234 4665 1 23 . 1 1 27 27 LEU N N 28 117.210 117.210 117.135 0.075 18234 4666 1 23 . 1 1 27 27 LEU H H 28 7.431 7.431 8.158 -0.727 18234 4667 1 23 . 1 1 28 28 GLY N N 29 128.170 128.170 104.353 23.817 18234 4668 1 23 . 1 1 28 28 GLY H H 29 7.735 7.735 7.647 0.088 18234 4669 1 23 . 1 1 29 29 PHE N N 30 121.140 121.140 119.928 1.212 18234 4670 1 23 . 1 1 29 29 PHE H H 30 8.188 8.188 7.410 0.778 18234 4671 1 23 . 1 1 30 30 ASN N N 31 118.220 118.220 122.944 -4.724 18234 4672 1 23 . 1 1 30 30 ASN H H 31 8.305 8.305 8.608 -0.303 18234 4673 1 23 . 1 1 32 32 VAL N N 33 122.030 122.030 114.885 7.145 18234 4674 1 23 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 4675 1 23 . 1 1 33 33 GLU N N 34 126.880 126.880 119.519 7.361 18234 4676 1 23 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 4677 1 23 . 1 1 35 35 ALA N N 36 120.500 120.500 126.541 -6.041 18234 4678 1 23 . 1 1 35 35 ALA H H 36 8.878 8.878 8.077 0.801 18234 4679 1 23 . 1 1 36 36 GLU N N 37 117.420 117.420 127.600 -10.180 18234 4680 1 23 . 1 1 36 36 GLU H H 37 9.476 9.476 8.922 0.554 18234 4681 1 23 . 1 1 37 37 ASP N N 38 131.500 131.500 117.581 13.919 18234 4682 1 23 . 1 1 37 37 ASP H H 38 7.450 7.450 8.231 -0.781 18234 4683 1 23 . 1 1 38 38 GLY N N 39 124.390 124.390 108.324 16.066 18234 4684 1 23 . 1 1 38 38 GLY H H 39 8.148 8.148 7.762 0.386 18234 4685 1 23 . 1 1 39 39 VAL N N 40 122.620 122.620 119.684 2.936 18234 4686 1 23 . 1 1 39 39 VAL H H 40 7.962 7.962 8.022 -0.060 18234 4687 1 23 . 1 1 40 40 ASP N N 41 121.110 121.110 119.189 1.921 18234 4688 1 23 . 1 1 40 40 ASP H H 41 8.518 8.518 8.302 0.216 18234 4689 1 23 . 1 1 41 41 ALA N N 42 116.970 116.970 122.779 -5.809 18234 4690 1 23 . 1 1 41 41 ALA H H 42 8.337 8.337 7.323 1.014 18234 4691 1 23 . 1 1 42 42 LEU N N 43 118.280 118.280 120.039 -1.759 18234 4692 1 23 . 1 1 42 42 LEU H H 43 8.121 8.121 7.502 0.619 18234 4693 1 23 . 1 1 45 45 LEU N N 46 118.530 118.530 120.525 -1.995 18234 4694 1 23 . 1 1 45 45 LEU H H 46 8.748 8.748 8.086 0.662 18234 4695 1 23 . 1 1 46 46 GLN N N 47 116.820 116.820 118.644 -1.824 18234 4696 1 23 . 1 1 46 46 GLN H H 47 7.865 7.865 8.072 -0.207 18234 4697 1 23 . 1 1 47 47 ALA N N 48 120.460 120.460 122.728 -2.268 18234 4698 1 23 . 1 1 47 47 ALA H H 48 7.611 7.611 8.265 -0.654 18234 4699 1 23 . 1 1 48 48 GLY N N 49 126.280 126.280 108.648 17.632 18234 4700 1 23 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.613 18234 4701 1 23 . 1 1 49 49 GLY N N 50 125.810 125.810 111.016 14.794 18234 4702 1 23 . 1 1 49 49 GLY H H 50 8.367 8.367 8.502 -0.135 18234 4703 1 23 . 1 1 50 50 TYR N N 51 118.740 118.740 121.019 -2.279 18234 4704 1 23 . 1 1 50 50 TYR H H 51 8.126 8.126 8.296 -0.170 18234 4705 1 23 . 1 1 51 51 GLY N N 52 128.900 128.900 105.876 23.024 18234 4706 1 23 . 1 1 51 51 GLY H H 52 9.556 9.556 7.890 1.666 18234 4707 1 23 . 1 1 52 52 PHE N N 53 121.380 121.380 120.535 0.845 18234 4708 1 23 . 1 1 52 52 PHE H H 53 7.527 7.527 7.900 -0.373 18234 4709 1 23 . 1 1 53 53 VAL N N 54 127.150 127.150 121.191 5.959 18234 4710 1 23 . 1 1 53 53 VAL H H 54 8.246 8.246 8.016 0.230 18234 4711 1 23 . 1 1 54 54 ILE N N 55 128.130 128.130 118.762 9.368 18234 4712 1 23 . 1 1 54 54 ILE H H 55 9.235 9.235 8.180 1.055 18234 4713 1 23 . 1 1 55 55 SER N N 56 118.200 118.200 119.592 -1.392 18234 4714 1 23 . 1 1 55 55 SER H H 56 8.678 8.678 7.842 0.836 18234 4715 1 23 . 1 1 56 56 ASP N N 57 127.290 127.290 116.677 10.613 18234 4716 1 23 . 1 1 56 56 ASP H H 57 8.412 8.412 7.174 1.238 18234 4717 1 23 . 1 1 58 58 ASN N N 59 116.980 116.980 119.619 -2.639 18234 4718 1 23 . 1 1 58 58 ASN H H 59 8.716 8.716 8.449 0.267 18234 4719 1 23 . 1 1 61 61 ASN N N 62 112.140 112.140 118.787 -6.647 18234 4720 1 23 . 1 1 61 61 ASN H H 62 8.598 8.598 7.798 0.800 18234 4721 1 23 . 1 1 62 62 MET N N 63 122.950 122.950 119.842 3.108 18234 4722 1 23 . 1 1 62 62 MET H H 63 9.192 9.192 8.575 0.617 18234 4723 1 23 . 1 1 63 63 ASP N N 64 126.540 126.540 118.765 7.775 18234 4724 1 23 . 1 1 63 63 ASP H H 64 8.518 8.518 8.317 0.201 18234 4725 1 23 . 1 1 65 65 LEU N N 66 121.870 121.870 122.871 -1.001 18234 4726 1 23 . 1 1 65 65 LEU H H 66 7.733 7.733 8.470 -0.737 18234 4727 1 23 . 1 1 66 66 GLU N N 67 119.470 119.470 124.454 -4.984 18234 4728 1 23 . 1 1 66 66 GLU H H 67 8.085 8.085 8.207 -0.122 18234 4729 1 23 . 1 1 67 67 LEU N N 68 123.910 123.910 118.947 4.963 18234 4730 1 23 . 1 1 67 67 LEU H H 68 8.299 8.299 8.031 0.268 18234 4731 1 23 . 1 1 68 68 LEU N N 69 120.640 120.640 121.052 -0.412 18234 4732 1 23 . 1 1 68 68 LEU H H 69 8.249 8.249 7.682 0.567 18234 4733 1 23 . 1 1 69 69 LYS N N 70 116.080 116.080 120.341 -4.261 18234 4734 1 23 . 1 1 69 69 LYS H H 70 8.400 8.400 8.541 -0.141 18234 4735 1 23 . 1 1 70 70 THR N N 71 117.490 117.490 113.840 3.650 18234 4736 1 23 . 1 1 70 70 THR H H 71 8.028 8.028 7.743 0.285 18234 4737 1 23 . 1 1 71 71 ILE N N 72 123.640 123.640 120.544 3.096 18234 4738 1 23 . 1 1 71 71 ILE H H 72 8.459 8.459 7.522 0.937 18234 4739 1 23 . 1 1 72 72 ARG N N 73 113.350 113.350 118.809 -5.459 18234 4740 1 23 . 1 1 72 72 ARG H H 73 8.112 8.112 8.361 -0.249 18234 4741 1 23 . 1 1 73 73 ALA N N 74 118.900 118.900 122.505 -3.605 18234 4742 1 23 . 1 1 73 73 ALA H H 74 7.286 7.286 8.238 -0.952 18234 4743 1 23 . 1 1 74 74 ASP N N 75 121.870 121.870 120.594 1.276 18234 4744 1 23 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 4745 1 23 . 1 1 75 75 GLY N N 76 112.230 112.230 106.767 5.463 18234 4746 1 23 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 4747 1 23 . 1 1 76 76 ALA N N 77 121.970 121.970 119.491 2.479 18234 4748 1 23 . 1 1 76 76 ALA H H 77 8.558 8.558 7.804 0.754 18234 4749 1 23 . 1 1 77 77 MET N N 78 116.180 116.180 117.359 -1.179 18234 4750 1 23 . 1 1 77 77 MET H H 78 8.477 8.477 8.076 0.401 18234 4751 1 23 . 1 1 78 78 SER N N 79 112.910 112.910 113.945 -1.035 18234 4752 1 23 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 4753 1 23 . 1 1 79 79 ALA N N 80 123.080 123.080 121.777 1.303 18234 4754 1 23 . 1 1 79 79 ALA H H 80 8.246 8.246 8.047 0.199 18234 4755 1 23 . 1 1 80 80 LEU N N 81 124.130 124.130 120.474 3.656 18234 4756 1 23 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 4757 1 23 . 1 1 82 82 VAL N N 83 118.860 118.860 123.997 -5.137 18234 4758 1 23 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 4759 1 23 . 1 1 83 83 LEU N N 84 130.450 130.450 115.493 14.957 18234 4760 1 23 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 4761 1 23 . 1 1 84 84 MET N N 85 124.080 124.080 113.603 10.477 18234 4762 1 23 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 4763 1 23 . 1 1 85 85 VAL N N 86 124.810 124.810 122.643 2.167 18234 4764 1 23 . 1 1 85 85 VAL H H 86 9.198 9.198 7.637 1.561 18234 4765 1 23 . 1 1 86 86 THR N N 87 116.560 116.560 114.521 2.039 18234 4766 1 23 . 1 1 86 86 THR H H 87 8.715 8.715 8.637 0.078 18234 4767 1 23 . 1 1 87 87 ALA N N 88 125.460 125.460 122.468 2.992 18234 4768 1 23 . 1 1 87 87 ALA H H 88 8.807 8.807 7.724 1.083 18234 4769 1 23 . 1 1 89 89 ALA N N 90 129.990 129.990 123.953 6.037 18234 4770 1 23 . 1 1 89 89 ALA H H 90 9.090 9.090 7.754 1.336 18234 4771 1 23 . 1 1 90 90 LYS N N 91 121.030 121.030 118.977 2.053 18234 4772 1 23 . 1 1 90 90 LYS H H 91 7.197 7.197 7.983 -0.786 18234 4773 1 23 . 1 1 92 92 GLU N N 93 116.280 116.280 119.466 -3.186 18234 4774 1 23 . 1 1 92 92 GLU H H 93 9.648 9.648 8.396 1.252 18234 4775 1 23 . 1 1 93 93 ASN N N 94 117.030 117.030 120.828 -3.798 18234 4776 1 23 . 1 1 93 93 ASN H H 94 7.116 7.116 8.385 -1.269 18234 4777 1 23 . 1 1 94 94 ILE N N 95 121.110 121.110 122.393 -1.283 18234 4778 1 23 . 1 1 94 94 ILE H H 95 7.546 7.546 8.142 -0.596 18234 4779 1 23 . 1 1 95 95 ILE N N 96 117.160 117.160 120.363 -3.203 18234 4780 1 23 . 1 1 95 95 ILE H H 96 8.172 8.172 8.120 0.052 18234 4781 1 23 . 1 1 96 96 ALA N N 97 120.060 120.060 122.323 -2.263 18234 4782 1 23 . 1 1 96 96 ALA H H 97 7.541 7.541 8.016 -0.475 18234 4783 1 23 . 1 1 97 97 ALA N N 98 119.150 119.150 122.968 -3.818 18234 4784 1 23 . 1 1 97 97 ALA H H 98 8.524 8.524 8.269 0.255 18234 4785 1 23 . 1 1 99 99 GLN N N 100 118.210 118.210 119.266 -1.056 18234 4786 1 23 . 1 1 99 99 GLN H H 100 8.974 8.974 7.677 1.297 18234 4787 1 23 . 1 1 100 100 ALA N N 101 117.990 117.990 122.166 -4.176 18234 4788 1 23 . 1 1 100 100 ALA H H 101 7.624 7.624 7.872 -0.248 18234 4789 1 23 . 1 1 102 102 ALA N N 103 123.640 123.640 120.681 2.959 18234 4790 1 23 . 1 1 102 102 ALA H H 103 8.726 8.726 8.169 0.557 18234 4791 1 23 . 1 1 103 103 SER N N 104 115.000 115.000 115.266 -0.266 18234 4792 1 23 . 1 1 103 103 SER H H 104 9.114 9.114 7.601 1.513 18234 4793 1 23 . 1 1 104 104 GLY N N 105 125.250 125.250 107.294 17.956 18234 4794 1 23 . 1 1 104 104 GLY H H 105 7.442 7.442 7.703 -0.261 18234 4795 1 23 . 1 1 105 105 TYR N N 106 118.860 118.860 118.347 0.513 18234 4796 1 23 . 1 1 105 105 TYR H H 106 8.524 8.524 8.106 0.418 18234 4797 1 23 . 1 1 107 107 VAL N N 108 127.360 127.360 116.949 10.411 18234 4798 1 23 . 1 1 107 107 VAL H H 108 8.089 8.089 7.986 0.103 18234 4799 1 23 . 1 1 108 108 LYS N N 109 123.480 123.480 119.969 3.511 18234 4800 1 23 . 1 1 108 108 LYS H H 109 8.376 8.376 7.660 0.716 18234 4801 1 23 . 1 1 111 111 THR N N 112 130.470 130.470 113.486 16.984 18234 4802 1 23 . 1 1 111 111 THR H H 112 7.916 7.916 8.296 -0.380 18234 4803 1 23 . 1 1 112 112 ALA N N 113 122.650 122.650 129.500 -6.850 18234 4804 1 23 . 1 1 112 112 ALA H H 113 9.188 9.188 8.758 0.430 18234 4805 1 23 . 1 1 113 113 ALA N N 114 118.690 118.690 121.411 -2.721 18234 4806 1 23 . 1 1 113 113 ALA H H 114 8.212 8.212 8.225 -0.013 18234 4807 1 23 . 1 1 115 115 LEU N N 116 121.770 121.770 125.189 -3.419 18234 4808 1 23 . 1 1 115 115 LEU H H 116 8.235 8.235 7.976 0.259 18234 4809 1 23 . 1 1 116 116 GLU N N 117 119.060 119.060 118.780 0.280 18234 4810 1 23 . 1 1 116 116 GLU H H 117 8.857 8.857 8.176 0.681 18234 4811 1 23 . 1 1 117 117 GLU N N 118 117.750 117.750 121.489 -3.739 18234 4812 1 23 . 1 1 117 117 GLU H H 118 7.670 7.670 8.401 -0.731 18234 4813 1 23 . 1 1 119 119 LEU N N 120 118.400 118.400 120.774 -2.374 18234 4814 1 23 . 1 1 119 119 LEU H H 120 8.543 8.543 7.941 0.602 18234 4815 1 23 . 1 1 120 120 ASN N N 121 115.130 115.130 118.586 -3.456 18234 4816 1 23 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 4817 1 23 . 1 1 121 121 LYS N N 122 119.730 119.730 120.559 -0.829 18234 4818 1 23 . 1 1 121 121 LYS H H 122 7.585 7.585 7.915 -0.330 18234 4819 1 23 . 1 1 122 122 ILE N N 123 120.980 120.980 117.723 3.257 18234 4820 1 23 . 1 1 122 122 ILE H H 123 7.385 7.385 8.155 -0.769 18234 4821 1 23 . 1 1 123 123 PHE N N 124 117.660 117.660 117.040 0.620 18234 4822 1 23 . 1 1 123 123 PHE H H 124 9.111 9.111 8.185 0.926 18234 4823 1 23 . 1 1 124 124 GLU N N 125 119.190 119.190 120.153 -0.963 18234 4824 1 23 . 1 1 124 124 GLU H H 125 8.330 8.330 7.856 0.474 18234 4825 1 23 . 1 1 125 125 LYS N N 126 121.310 121.310 121.033 0.277 18234 4826 1 23 . 1 1 125 125 LYS H H 126 8.317 8.317 8.087 0.230 18234 4827 1 23 . 1 1 127 127 GLY N N 128 110.530 110.530 106.630 3.900 18234 4828 1 23 . 1 1 127 127 GLY H H 128 7.966 7.966 7.746 0.220 18234 4829 1 23 . 1 1 128 128 MET N N 129 124.430 124.430 117.772 6.658 18234 4830 1 23 . 1 1 128 128 MET H H 129 8.432 8.432 8.152 0.280 18234 4831 1 24 . 1 1 2 2 ASP N N 3 121.390 121.390 120.506 0.884 18234 4832 1 24 . 1 1 2 2 ASP H H 3 8.589 8.589 8.129 0.460 18234 4833 1 24 . 1 1 3 3 LYS N N 4 122.470 122.470 119.088 3.382 18234 4834 1 24 . 1 1 3 3 LYS H H 4 8.529 8.529 8.461 0.068 18234 4835 1 24 . 1 1 4 4 GLU N N 5 119.020 119.020 114.531 4.489 18234 4836 1 24 . 1 1 4 4 GLU H H 5 8.702 8.702 7.712 0.990 18234 4837 1 24 . 1 1 5 5 LEU N N 6 124.230 124.230 122.380 1.850 18234 4838 1 24 . 1 1 5 5 LEU H H 6 7.530 7.530 6.727 0.803 18234 4839 1 24 . 1 1 6 6 LYS N N 7 126.090 126.090 120.683 5.407 18234 4840 1 24 . 1 1 6 6 LYS H H 7 8.486 8.486 8.041 0.445 18234 4841 1 24 . 1 1 7 7 PHE N N 8 128.540 128.540 116.887 11.653 18234 4842 1 24 . 1 1 7 7 PHE H H 8 9.206 9.206 7.172 2.034 18234 4843 1 24 . 1 1 8 8 LEU N N 9 121.920 121.920 121.598 0.322 18234 4844 1 24 . 1 1 8 8 LEU H H 9 8.827 8.827 7.362 1.465 18234 4845 1 24 . 1 1 9 9 VAL N N 10 127.280 127.280 119.816 7.464 18234 4846 1 24 . 1 1 9 9 VAL H H 10 8.983 8.983 8.729 0.254 18234 4847 1 24 . 1 1 10 10 VAL N N 11 127.250 127.250 120.352 6.898 18234 4848 1 24 . 1 1 10 10 VAL H H 11 9.251 9.251 8.280 0.971 18234 4849 1 24 . 1 1 11 11 ASP N N 12 123.770 123.770 123.933 -0.163 18234 4850 1 24 . 1 1 11 11 ASP H H 12 8.144 8.144 7.596 0.548 18234 4851 1 24 . 1 1 12 12 ASP N N 13 124.940 124.940 118.642 6.298 18234 4852 1 24 . 1 1 12 12 ASP H H 13 9.709 9.709 8.755 0.954 18234 4853 1 24 . 1 1 14 14 SER N N 15 126.800 126.800 115.919 10.881 18234 4854 1 24 . 1 1 14 14 SER H H 15 9.493 9.493 8.063 1.430 18234 4855 1 24 . 1 1 15 15 THR N N 16 116.700 116.700 114.435 2.265 18234 4856 1 24 . 1 1 15 15 THR H H 16 7.372 7.372 8.562 -1.190 18234 4857 1 24 . 1 1 16 16 MET N N 17 119.000 119.000 118.078 0.922 18234 4858 1 24 . 1 1 16 16 MET H H 17 6.326 6.326 7.830 -1.504 18234 4859 1 24 . 1 1 17 17 ARG N N 18 116.670 116.670 119.924 -3.254 18234 4860 1 24 . 1 1 17 17 ARG H H 18 7.515 7.515 7.746 -0.231 18234 4861 1 24 . 1 1 18 18 ARG N N 19 116.980 116.980 119.434 -2.454 18234 4862 1 24 . 1 1 18 18 ARG H H 19 7.638 7.638 8.575 -0.937 18234 4863 1 24 . 1 1 19 19 ILE N N 20 120.790 120.790 118.746 2.044 18234 4864 1 24 . 1 1 19 19 ILE H H 20 7.789 7.789 8.271 -0.482 18234 4865 1 24 . 1 1 20 20 VAL N N 21 119.340 119.340 120.120 -0.780 18234 4866 1 24 . 1 1 20 20 VAL H H 21 8.389 8.389 8.070 0.319 18234 4867 1 24 . 1 1 21 21 ARG N N 22 119.430 119.430 119.305 0.125 18234 4868 1 24 . 1 1 21 21 ARG H H 22 8.622 8.622 8.077 0.545 18234 4869 1 24 . 1 1 23 23 LEU N N 24 123.390 123.390 120.554 2.836 18234 4870 1 24 . 1 1 23 23 LEU H H 24 8.490 8.490 7.985 0.505 18234 4871 1 24 . 1 1 25 25 LYS N N 26 120.620 120.620 120.098 0.522 18234 4872 1 24 . 1 1 25 25 LYS H H 26 7.932 7.932 7.958 -0.026 18234 4873 1 24 . 1 1 26 26 GLU N N 27 122.290 122.290 118.900 3.390 18234 4874 1 24 . 1 1 26 26 GLU H H 27 7.985 7.985 8.462 -0.477 18234 4875 1 24 . 1 1 27 27 LEU N N 28 117.210 117.210 117.130 0.080 18234 4876 1 24 . 1 1 27 27 LEU H H 28 7.431 7.431 8.156 -0.725 18234 4877 1 24 . 1 1 28 28 GLY N N 29 128.170 128.170 104.359 23.811 18234 4878 1 24 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 4879 1 24 . 1 1 29 29 PHE N N 30 121.140 121.140 120.133 1.007 18234 4880 1 24 . 1 1 29 29 PHE H H 30 8.188 8.188 7.429 0.759 18234 4881 1 24 . 1 1 30 30 ASN N N 31 118.220 118.220 122.962 -4.742 18234 4882 1 24 . 1 1 30 30 ASN H H 31 8.305 8.305 8.605 -0.300 18234 4883 1 24 . 1 1 32 32 VAL N N 33 122.030 122.030 114.897 7.133 18234 4884 1 24 . 1 1 32 32 VAL H H 33 7.522 7.522 8.723 -1.201 18234 4885 1 24 . 1 1 33 33 GLU N N 34 126.880 126.880 119.511 7.369 18234 4886 1 24 . 1 1 33 33 GLU H H 34 9.124 9.124 7.728 1.396 18234 4887 1 24 . 1 1 35 35 ALA N N 36 120.500 120.500 126.102 -5.602 18234 4888 1 24 . 1 1 35 35 ALA H H 36 8.878 8.878 8.076 0.802 18234 4889 1 24 . 1 1 36 36 GLU N N 37 117.420 117.420 127.607 -10.187 18234 4890 1 24 . 1 1 36 36 GLU H H 37 9.476 9.476 8.919 0.557 18234 4891 1 24 . 1 1 37 37 ASP N N 38 131.500 131.500 117.615 13.885 18234 4892 1 24 . 1 1 37 37 ASP H H 38 7.450 7.450 8.224 -0.774 18234 4893 1 24 . 1 1 38 38 GLY N N 39 124.390 124.390 108.158 16.232 18234 4894 1 24 . 1 1 38 38 GLY H H 39 8.148 8.148 7.778 0.370 18234 4895 1 24 . 1 1 39 39 VAL N N 40 122.620 122.620 119.544 3.076 18234 4896 1 24 . 1 1 39 39 VAL H H 40 7.962 7.962 8.097 -0.135 18234 4897 1 24 . 1 1 40 40 ASP N N 41 121.110 121.110 119.625 1.485 18234 4898 1 24 . 1 1 40 40 ASP H H 41 8.518 8.518 8.350 0.168 18234 4899 1 24 . 1 1 41 41 ALA N N 42 116.970 116.970 122.787 -5.817 18234 4900 1 24 . 1 1 41 41 ALA H H 42 8.337 8.337 7.330 1.007 18234 4901 1 24 . 1 1 42 42 LEU N N 43 118.280 118.280 120.040 -1.760 18234 4902 1 24 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 4903 1 24 . 1 1 45 45 LEU N N 46 118.530 118.530 120.369 -1.839 18234 4904 1 24 . 1 1 45 45 LEU H H 46 8.748 8.748 8.074 0.674 18234 4905 1 24 . 1 1 46 46 GLN N N 47 116.820 116.820 118.639 -1.819 18234 4906 1 24 . 1 1 46 46 GLN H H 47 7.865 7.865 8.072 -0.207 18234 4907 1 24 . 1 1 47 47 ALA N N 48 120.460 120.460 122.742 -2.282 18234 4908 1 24 . 1 1 47 47 ALA H H 48 7.611 7.611 8.272 -0.661 18234 4909 1 24 . 1 1 48 48 GLY N N 49 126.280 126.280 108.663 17.617 18234 4910 1 24 . 1 1 48 48 GLY H H 49 7.574 7.574 8.198 -0.624 18234 4911 1 24 . 1 1 49 49 GLY N N 50 125.810 125.810 110.921 14.889 18234 4912 1 24 . 1 1 49 49 GLY H H 50 8.367 8.367 8.492 -0.124 18234 4913 1 24 . 1 1 50 50 TYR N N 51 118.740 118.740 121.061 -2.321 18234 4914 1 24 . 1 1 50 50 TYR H H 51 8.126 8.126 8.322 -0.196 18234 4915 1 24 . 1 1 51 51 GLY N N 52 128.900 128.900 105.956 22.944 18234 4916 1 24 . 1 1 51 51 GLY H H 52 9.556 9.556 7.937 1.619 18234 4917 1 24 . 1 1 52 52 PHE N N 53 121.380 121.380 120.720 0.660 18234 4918 1 24 . 1 1 52 52 PHE H H 53 7.527 7.527 8.057 -0.530 18234 4919 1 24 . 1 1 53 53 VAL N N 54 127.150 127.150 121.544 5.606 18234 4920 1 24 . 1 1 53 53 VAL H H 54 8.246 8.246 8.303 -0.057 18234 4921 1 24 . 1 1 54 54 ILE N N 55 128.130 128.130 118.755 9.375 18234 4922 1 24 . 1 1 54 54 ILE H H 55 9.235 9.235 8.194 1.040 18234 4923 1 24 . 1 1 55 55 SER N N 56 118.200 118.200 119.418 -1.218 18234 4924 1 24 . 1 1 55 55 SER H H 56 8.678 8.678 7.776 0.902 18234 4925 1 24 . 1 1 56 56 ASP N N 57 127.290 127.290 116.611 10.679 18234 4926 1 24 . 1 1 56 56 ASP H H 57 8.412 8.412 6.937 1.475 18234 4927 1 24 . 1 1 58 58 ASN N N 59 116.980 116.980 120.257 -3.277 18234 4928 1 24 . 1 1 58 58 ASN H H 59 8.716 8.716 7.990 0.726 18234 4929 1 24 . 1 1 61 61 ASN N N 62 112.140 112.140 118.217 -6.077 18234 4930 1 24 . 1 1 61 61 ASN H H 62 8.598 8.598 7.780 0.818 18234 4931 1 24 . 1 1 62 62 MET N N 63 122.950 122.950 119.020 3.930 18234 4932 1 24 . 1 1 62 62 MET H H 63 9.192 9.192 8.721 0.471 18234 4933 1 24 . 1 1 63 63 ASP N N 64 126.540 126.540 120.409 6.131 18234 4934 1 24 . 1 1 63 63 ASP H H 64 8.518 8.518 8.443 0.075 18234 4935 1 24 . 1 1 65 65 LEU N N 66 121.870 121.870 123.050 -1.180 18234 4936 1 24 . 1 1 65 65 LEU H H 66 7.733 7.733 8.409 -0.676 18234 4937 1 24 . 1 1 66 66 GLU N N 67 119.470 119.470 124.465 -4.995 18234 4938 1 24 . 1 1 66 66 GLU H H 67 8.085 8.085 8.214 -0.129 18234 4939 1 24 . 1 1 67 67 LEU N N 68 123.910 123.910 118.657 5.253 18234 4940 1 24 . 1 1 67 67 LEU H H 68 8.299 8.299 7.994 0.305 18234 4941 1 24 . 1 1 68 68 LEU N N 69 120.640 120.640 121.058 -0.418 18234 4942 1 24 . 1 1 68 68 LEU H H 69 8.249 8.249 7.681 0.568 18234 4943 1 24 . 1 1 69 69 LYS N N 70 116.080 116.080 120.265 -4.185 18234 4944 1 24 . 1 1 69 69 LYS H H 70 8.400 8.400 8.530 -0.130 18234 4945 1 24 . 1 1 70 70 THR N N 71 117.490 117.490 114.077 3.413 18234 4946 1 24 . 1 1 70 70 THR H H 71 8.028 8.028 7.741 0.287 18234 4947 1 24 . 1 1 71 71 ILE N N 72 123.640 123.640 120.547 3.093 18234 4948 1 24 . 1 1 71 71 ILE H H 72 8.459 8.459 7.514 0.945 18234 4949 1 24 . 1 1 72 72 ARG N N 73 113.350 113.350 118.798 -5.448 18234 4950 1 24 . 1 1 72 72 ARG H H 73 8.112 8.112 8.357 -0.245 18234 4951 1 24 . 1 1 73 73 ALA N N 74 118.900 118.900 122.510 -3.610 18234 4952 1 24 . 1 1 73 73 ALA H H 74 7.286 7.286 8.245 -0.959 18234 4953 1 24 . 1 1 74 74 ASP N N 75 121.870 121.870 120.590 1.280 18234 4954 1 24 . 1 1 74 74 ASP H H 75 7.399 7.399 7.810 -0.411 18234 4955 1 24 . 1 1 75 75 GLY N N 76 112.230 112.230 106.760 5.470 18234 4956 1 24 . 1 1 75 75 GLY H H 76 8.728 8.728 8.221 0.507 18234 4957 1 24 . 1 1 76 76 ALA N N 77 121.970 121.970 119.484 2.486 18234 4958 1 24 . 1 1 76 76 ALA H H 77 8.558 8.558 7.808 0.750 18234 4959 1 24 . 1 1 77 77 MET N N 78 116.180 116.180 117.353 -1.173 18234 4960 1 24 . 1 1 77 77 MET H H 78 8.477 8.477 8.078 0.399 18234 4961 1 24 . 1 1 78 78 SER N N 79 112.910 112.910 113.964 -1.054 18234 4962 1 24 . 1 1 78 78 SER H H 79 7.436 7.436 7.468 -0.032 18234 4963 1 24 . 1 1 79 79 ALA N N 80 123.080 123.080 121.779 1.301 18234 4964 1 24 . 1 1 79 79 ALA H H 80 8.246 8.246 8.049 0.197 18234 4965 1 24 . 1 1 80 80 LEU N N 81 124.130 124.130 120.484 3.646 18234 4966 1 24 . 1 1 80 80 LEU H H 81 7.816 7.816 7.388 0.428 18234 4967 1 24 . 1 1 82 82 VAL N N 83 118.860 118.860 123.995 -5.135 18234 4968 1 24 . 1 1 82 82 VAL H H 83 7.731 7.731 8.566 -0.835 18234 4969 1 24 . 1 1 83 83 LEU N N 84 130.450 130.450 115.469 14.981 18234 4970 1 24 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 4971 1 24 . 1 1 84 84 MET N N 85 124.080 124.080 113.588 10.492 18234 4972 1 24 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 4973 1 24 . 1 1 85 85 VAL N N 86 124.810 124.810 122.644 2.166 18234 4974 1 24 . 1 1 85 85 VAL H H 86 9.198 9.198 7.634 1.564 18234 4975 1 24 . 1 1 86 86 THR N N 87 116.560 116.560 114.526 2.034 18234 4976 1 24 . 1 1 86 86 THR H H 87 8.715 8.715 8.633 0.082 18234 4977 1 24 . 1 1 87 87 ALA N N 88 125.460 125.460 122.458 3.002 18234 4978 1 24 . 1 1 87 87 ALA H H 88 8.807 8.807 7.722 1.085 18234 4979 1 24 . 1 1 89 89 ALA N N 90 129.990 129.990 123.945 6.045 18234 4980 1 24 . 1 1 89 89 ALA H H 90 9.090 9.090 7.751 1.339 18234 4981 1 24 . 1 1 90 90 LYS N N 91 121.030 121.030 118.976 2.054 18234 4982 1 24 . 1 1 90 90 LYS H H 91 7.197 7.197 7.978 -0.781 18234 4983 1 24 . 1 1 92 92 GLU N N 93 116.280 116.280 119.462 -3.182 18234 4984 1 24 . 1 1 92 92 GLU H H 93 9.648 9.648 8.387 1.261 18234 4985 1 24 . 1 1 93 93 ASN N N 94 117.030 117.030 120.803 -3.773 18234 4986 1 24 . 1 1 93 93 ASN H H 94 7.116 7.116 8.379 -1.263 18234 4987 1 24 . 1 1 94 94 ILE N N 95 121.110 121.110 122.391 -1.281 18234 4988 1 24 . 1 1 94 94 ILE H H 95 7.546 7.546 8.133 -0.587 18234 4989 1 24 . 1 1 95 95 ILE N N 96 117.160 117.160 120.356 -3.196 18234 4990 1 24 . 1 1 95 95 ILE H H 96 8.172 8.172 8.116 0.056 18234 4991 1 24 . 1 1 96 96 ALA N N 97 120.060 120.060 122.302 -2.242 18234 4992 1 24 . 1 1 96 96 ALA H H 97 7.541 7.541 8.000 -0.459 18234 4993 1 24 . 1 1 97 97 ALA N N 98 119.150 119.150 122.952 -3.802 18234 4994 1 24 . 1 1 97 97 ALA H H 98 8.524 8.524 8.248 0.276 18234 4995 1 24 . 1 1 99 99 GLN N N 100 118.210 118.210 119.241 -1.031 18234 4996 1 24 . 1 1 99 99 GLN H H 100 8.974 8.974 7.650 1.324 18234 4997 1 24 . 1 1 100 100 ALA N N 101 117.990 117.990 122.114 -4.124 18234 4998 1 24 . 1 1 100 100 ALA H H 101 7.624 7.624 7.832 -0.208 18234 4999 1 24 . 1 1 102 102 ALA N N 103 123.640 123.640 120.561 3.079 18234 5000 1 24 . 1 1 102 102 ALA H H 103 8.726 8.726 8.087 0.639 18234 5001 1 24 . 1 1 103 103 SER N N 104 115.000 115.000 115.192 -0.192 18234 5002 1 24 . 1 1 103 103 SER H H 104 9.114 9.114 7.533 1.581 18234 5003 1 24 . 1 1 104 104 GLY N N 105 125.250 125.250 107.231 18.019 18234 5004 1 24 . 1 1 104 104 GLY H H 105 7.442 7.442 7.589 -0.147 18234 5005 1 24 . 1 1 105 105 TYR N N 106 118.860 118.860 118.229 0.631 18234 5006 1 24 . 1 1 105 105 TYR H H 106 8.524 8.524 7.943 0.581 18234 5007 1 24 . 1 1 107 107 VAL N N 108 127.360 127.360 116.998 10.362 18234 5008 1 24 . 1 1 107 107 VAL H H 108 8.089 8.089 8.016 0.073 18234 5009 1 24 . 1 1 108 108 LYS N N 109 123.480 123.480 120.015 3.465 18234 5010 1 24 . 1 1 108 108 LYS H H 109 8.376 8.376 7.695 0.681 18234 5011 1 24 . 1 1 111 111 THR N N 112 130.470 130.470 113.487 16.983 18234 5012 1 24 . 1 1 111 111 THR H H 112 7.916 7.916 8.295 -0.379 18234 5013 1 24 . 1 1 112 112 ALA N N 113 122.650 122.650 129.504 -6.854 18234 5014 1 24 . 1 1 112 112 ALA H H 113 9.188 9.188 8.765 0.423 18234 5015 1 24 . 1 1 113 113 ALA N N 114 118.690 118.690 121.420 -2.730 18234 5016 1 24 . 1 1 113 113 ALA H H 114 8.212 8.212 8.227 -0.015 18234 5017 1 24 . 1 1 115 115 LEU N N 116 121.770 121.770 124.737 -2.967 18234 5018 1 24 . 1 1 115 115 LEU H H 116 8.235 8.235 7.944 0.291 18234 5019 1 24 . 1 1 116 116 GLU N N 117 119.060 119.060 118.776 0.284 18234 5020 1 24 . 1 1 116 116 GLU H H 117 8.857 8.857 8.176 0.681 18234 5021 1 24 . 1 1 117 117 GLU N N 118 117.750 117.750 121.495 -3.745 18234 5022 1 24 . 1 1 117 117 GLU H H 118 7.670 7.670 8.405 -0.735 18234 5023 1 24 . 1 1 119 119 LEU N N 120 118.400 118.400 120.765 -2.365 18234 5024 1 24 . 1 1 119 119 LEU H H 120 8.543 8.543 7.938 0.605 18234 5025 1 24 . 1 1 120 120 ASN N N 121 115.130 115.130 118.588 -3.458 18234 5026 1 24 . 1 1 120 120 ASN H H 121 8.605 8.605 8.008 0.597 18234 5027 1 24 . 1 1 121 121 LYS N N 122 119.730 119.730 120.560 -0.830 18234 5028 1 24 . 1 1 121 121 LYS H H 122 7.585 7.585 7.916 -0.331 18234 5029 1 24 . 1 1 122 122 ILE N N 123 120.980 120.980 117.715 3.265 18234 5030 1 24 . 1 1 122 122 ILE H H 123 7.385 7.385 8.149 -0.764 18234 5031 1 24 . 1 1 123 123 PHE N N 124 117.660 117.660 117.051 0.609 18234 5032 1 24 . 1 1 123 123 PHE H H 124 9.111 9.111 8.203 0.908 18234 5033 1 24 . 1 1 124 124 GLU N N 125 119.190 119.190 120.160 -0.970 18234 5034 1 24 . 1 1 124 124 GLU H H 125 8.330 8.330 7.853 0.477 18234 5035 1 24 . 1 1 125 125 LYS N N 126 121.310 121.310 121.030 0.280 18234 5036 1 24 . 1 1 125 125 LYS H H 126 8.317 8.317 8.088 0.229 18234 5037 1 24 . 1 1 127 127 GLY N N 128 110.530 110.530 106.625 3.905 18234 5038 1 24 . 1 1 127 127 GLY H H 128 7.966 7.966 7.745 0.221 18234 5039 1 24 . 1 1 128 128 MET N N 129 124.430 124.430 118.171 6.259 18234 5040 1 24 . 1 1 128 128 MET H H 129 8.432 8.432 8.186 0.246 18234 5041 1 25 . 1 1 2 2 ASP N N 3 121.390 121.390 125.109 -3.719 18234 5042 1 25 . 1 1 2 2 ASP H H 3 8.589 8.589 8.068 0.521 18234 5043 1 25 . 1 1 3 3 LYS N N 4 122.470 122.470 124.420 -1.950 18234 5044 1 25 . 1 1 3 3 LYS H H 4 8.529 8.529 8.254 0.275 18234 5045 1 25 . 1 1 4 4 GLU N N 5 119.020 119.020 118.923 0.097 18234 5046 1 25 . 1 1 4 4 GLU H H 5 8.702 8.702 8.180 0.522 18234 5047 1 25 . 1 1 5 5 LEU N N 6 124.230 124.230 122.245 1.985 18234 5048 1 25 . 1 1 5 5 LEU H H 6 7.530 7.530 6.703 0.827 18234 5049 1 25 . 1 1 6 6 LYS N N 7 126.090 126.090 122.114 3.976 18234 5050 1 25 . 1 1 6 6 LYS H H 7 8.486 8.486 7.698 0.788 18234 5051 1 25 . 1 1 7 7 PHE N N 8 128.540 128.540 116.955 11.585 18234 5052 1 25 . 1 1 7 7 PHE H H 8 9.206 9.206 7.719 1.487 18234 5053 1 25 . 1 1 8 8 LEU N N 9 121.920 121.920 122.403 -0.483 18234 5054 1 25 . 1 1 8 8 LEU H H 9 8.827 8.827 8.107 0.720 18234 5055 1 25 . 1 1 9 9 VAL N N 10 127.280 127.280 117.713 9.567 18234 5056 1 25 . 1 1 9 9 VAL H H 10 8.983 8.983 8.558 0.425 18234 5057 1 25 . 1 1 10 10 VAL N N 11 127.250 127.250 120.719 6.531 18234 5058 1 25 . 1 1 10 10 VAL H H 11 9.251 9.251 8.427 0.824 18234 5059 1 25 . 1 1 11 11 ASP N N 12 123.770 123.770 124.301 -0.531 18234 5060 1 25 . 1 1 11 11 ASP H H 12 8.144 8.144 7.770 0.374 18234 5061 1 25 . 1 1 12 12 ASP N N 13 124.940 124.940 118.851 6.089 18234 5062 1 25 . 1 1 12 12 ASP H H 13 9.709 9.709 8.980 0.729 18234 5063 1 25 . 1 1 14 14 SER N N 15 126.800 126.800 115.789 11.011 18234 5064 1 25 . 1 1 14 14 SER H H 15 9.493 9.493 8.076 1.417 18234 5065 1 25 . 1 1 15 15 THR N N 16 116.700 116.700 114.429 2.271 18234 5066 1 25 . 1 1 15 15 THR H H 16 7.372 7.372 8.493 -1.121 18234 5067 1 25 . 1 1 16 16 MET N N 17 119.000 119.000 118.070 0.930 18234 5068 1 25 . 1 1 16 16 MET H H 17 6.326 6.326 7.829 -1.503 18234 5069 1 25 . 1 1 17 17 ARG N N 18 116.670 116.670 119.928 -3.258 18234 5070 1 25 . 1 1 17 17 ARG H H 18 7.515 7.515 7.739 -0.224 18234 5071 1 25 . 1 1 18 18 ARG N N 19 116.980 116.980 119.403 -2.423 18234 5072 1 25 . 1 1 18 18 ARG H H 19 7.638 7.638 8.559 -0.921 18234 5073 1 25 . 1 1 19 19 ILE N N 20 120.790 120.790 118.733 2.057 18234 5074 1 25 . 1 1 19 19 ILE H H 20 7.789 7.789 8.259 -0.470 18234 5075 1 25 . 1 1 20 20 VAL N N 21 119.340 119.340 120.125 -0.785 18234 5076 1 25 . 1 1 20 20 VAL H H 21 8.389 8.389 8.069 0.320 18234 5077 1 25 . 1 1 21 21 ARG N N 22 119.430 119.430 119.308 0.122 18234 5078 1 25 . 1 1 21 21 ARG H H 22 8.622 8.622 8.072 0.550 18234 5079 1 25 . 1 1 23 23 LEU N N 24 123.390 123.390 120.562 2.828 18234 5080 1 25 . 1 1 23 23 LEU H H 24 8.490 8.490 7.985 0.505 18234 5081 1 25 . 1 1 25 25 LYS N N 26 120.620 120.620 120.098 0.522 18234 5082 1 25 . 1 1 25 25 LYS H H 26 7.932 7.932 7.953 -0.021 18234 5083 1 25 . 1 1 26 26 GLU N N 27 122.290 122.290 118.897 3.393 18234 5084 1 25 . 1 1 26 26 GLU H H 27 7.985 7.985 8.460 -0.475 18234 5085 1 25 . 1 1 27 27 LEU N N 28 117.210 117.210 117.132 0.078 18234 5086 1 25 . 1 1 27 27 LEU H H 28 7.431 7.431 8.155 -0.724 18234 5087 1 25 . 1 1 28 28 GLY N N 29 128.170 128.170 104.351 23.819 18234 5088 1 25 . 1 1 28 28 GLY H H 29 7.735 7.735 7.642 0.093 18234 5089 1 25 . 1 1 29 29 PHE N N 30 121.140 121.140 120.159 0.981 18234 5090 1 25 . 1 1 29 29 PHE H H 30 8.188 8.188 7.430 0.758 18234 5091 1 25 . 1 1 30 30 ASN N N 31 118.220 118.220 122.888 -4.668 18234 5092 1 25 . 1 1 30 30 ASN H H 31 8.305 8.305 8.734 -0.429 18234 5093 1 25 . 1 1 32 32 VAL N N 33 122.030 122.030 114.878 7.152 18234 5094 1 25 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 5095 1 25 . 1 1 33 33 GLU N N 34 126.880 126.880 119.517 7.363 18234 5096 1 25 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 5097 1 25 . 1 1 35 35 ALA N N 36 120.500 120.500 127.339 -6.839 18234 5098 1 25 . 1 1 35 35 ALA H H 36 8.878 8.878 8.262 0.616 18234 5099 1 25 . 1 1 36 36 GLU N N 37 117.420 117.420 127.601 -10.181 18234 5100 1 25 . 1 1 36 36 GLU H H 37 9.476 9.476 8.918 0.558 18234 5101 1 25 . 1 1 37 37 ASP N N 38 131.500 131.500 117.622 13.878 18234 5102 1 25 . 1 1 37 37 ASP H H 38 7.450 7.450 8.213 -0.763 18234 5103 1 25 . 1 1 38 38 GLY N N 39 124.390 124.390 108.037 16.353 18234 5104 1 25 . 1 1 38 38 GLY H H 39 8.148 8.148 7.760 0.388 18234 5105 1 25 . 1 1 39 39 VAL N N 40 122.620 122.620 119.759 2.861 18234 5106 1 25 . 1 1 39 39 VAL H H 40 7.962 7.962 8.050 -0.088 18234 5107 1 25 . 1 1 40 40 ASP N N 41 121.110 121.110 118.996 2.114 18234 5108 1 25 . 1 1 40 40 ASP H H 41 8.518 8.518 8.320 0.198 18234 5109 1 25 . 1 1 41 41 ALA N N 42 116.970 116.970 122.773 -5.803 18234 5110 1 25 . 1 1 41 41 ALA H H 42 8.337 8.337 7.342 0.995 18234 5111 1 25 . 1 1 42 42 LEU N N 43 118.280 118.280 120.037 -1.757 18234 5112 1 25 . 1 1 42 42 LEU H H 43 8.121 8.121 7.500 0.622 18234 5113 1 25 . 1 1 45 45 LEU N N 46 118.530 118.530 120.431 -1.901 18234 5114 1 25 . 1 1 45 45 LEU H H 46 8.748 8.748 8.115 0.633 18234 5115 1 25 . 1 1 46 46 GLN N N 47 116.820 116.820 118.629 -1.809 18234 5116 1 25 . 1 1 46 46 GLN H H 47 7.865 7.865 8.061 -0.196 18234 5117 1 25 . 1 1 47 47 ALA N N 48 120.460 120.460 122.725 -2.265 18234 5118 1 25 . 1 1 47 47 ALA H H 48 7.611 7.611 8.259 -0.648 18234 5119 1 25 . 1 1 48 48 GLY N N 49 126.280 126.280 108.643 17.637 18234 5120 1 25 . 1 1 48 48 GLY H H 49 7.574 7.574 8.182 -0.608 18234 5121 1 25 . 1 1 49 49 GLY N N 50 125.810 125.810 110.947 14.863 18234 5122 1 25 . 1 1 49 49 GLY H H 50 8.367 8.367 8.467 -0.100 18234 5123 1 25 . 1 1 50 50 TYR N N 51 118.740 118.740 121.046 -2.306 18234 5124 1 25 . 1 1 50 50 TYR H H 51 8.126 8.126 8.300 -0.174 18234 5125 1 25 . 1 1 51 51 GLY N N 52 128.900 128.900 105.920 22.980 18234 5126 1 25 . 1 1 51 51 GLY H H 52 9.556 9.556 7.919 1.637 18234 5127 1 25 . 1 1 52 52 PHE N N 53 121.380 121.380 120.650 0.730 18234 5128 1 25 . 1 1 52 52 PHE H H 53 7.527 7.527 8.017 -0.490 18234 5129 1 25 . 1 1 53 53 VAL N N 54 127.150 127.150 121.376 5.774 18234 5130 1 25 . 1 1 53 53 VAL H H 54 8.246 8.246 8.178 0.068 18234 5131 1 25 . 1 1 54 54 ILE N N 55 128.130 128.130 118.601 9.529 18234 5132 1 25 . 1 1 54 54 ILE H H 55 9.235 9.235 8.181 1.054 18234 5133 1 25 . 1 1 55 55 SER N N 56 118.200 118.200 119.570 -1.370 18234 5134 1 25 . 1 1 55 55 SER H H 56 8.678 8.678 7.867 0.811 18234 5135 1 25 . 1 1 56 56 ASP N N 57 127.290 127.290 117.547 9.743 18234 5136 1 25 . 1 1 56 56 ASP H H 57 8.412 8.412 7.165 1.247 18234 5137 1 25 . 1 1 58 58 ASN N N 59 116.980 116.980 120.430 -3.450 18234 5138 1 25 . 1 1 58 58 ASN H H 59 8.716 8.716 7.997 0.719 18234 5139 1 25 . 1 1 61 61 ASN N N 62 112.140 112.140 119.200 -7.060 18234 5140 1 25 . 1 1 61 61 ASN H H 62 8.598 8.598 7.889 0.709 18234 5141 1 25 . 1 1 62 62 MET N N 63 122.950 122.950 119.694 3.256 18234 5142 1 25 . 1 1 62 62 MET H H 63 9.192 9.192 8.522 0.670 18234 5143 1 25 . 1 1 63 63 ASP N N 64 126.540 126.540 119.607 6.933 18234 5144 1 25 . 1 1 63 63 ASP H H 64 8.518 8.518 8.404 0.114 18234 5145 1 25 . 1 1 65 65 LEU N N 66 121.870 121.870 122.925 -1.055 18234 5146 1 25 . 1 1 65 65 LEU H H 66 7.733 7.733 8.425 -0.692 18234 5147 1 25 . 1 1 66 66 GLU N N 67 119.470 119.470 124.448 -4.978 18234 5148 1 25 . 1 1 66 66 GLU H H 67 8.085 8.085 8.206 -0.121 18234 5149 1 25 . 1 1 67 67 LEU N N 68 123.910 123.910 118.760 5.150 18234 5150 1 25 . 1 1 67 67 LEU H H 68 8.299 8.299 8.040 0.259 18234 5151 1 25 . 1 1 68 68 LEU N N 69 120.640 120.640 121.039 -0.399 18234 5152 1 25 . 1 1 68 68 LEU H H 69 8.249 8.249 7.671 0.578 18234 5153 1 25 . 1 1 69 69 LYS N N 70 116.080 116.080 120.256 -4.176 18234 5154 1 25 . 1 1 69 69 LYS H H 70 8.400 8.400 8.554 -0.154 18234 5155 1 25 . 1 1 70 70 THR N N 71 117.490 117.490 113.978 3.512 18234 5156 1 25 . 1 1 70 70 THR H H 71 8.028 8.028 7.780 0.248 18234 5157 1 25 . 1 1 71 71 ILE N N 72 123.640 123.640 120.594 3.046 18234 5158 1 25 . 1 1 71 71 ILE H H 72 8.459 8.459 7.500 0.959 18234 5159 1 25 . 1 1 72 72 ARG N N 73 113.350 113.350 118.797 -5.447 18234 5160 1 25 . 1 1 72 72 ARG H H 73 8.112 8.112 8.357 -0.245 18234 5161 1 25 . 1 1 73 73 ALA N N 74 118.900 118.900 122.504 -3.604 18234 5162 1 25 . 1 1 73 73 ALA H H 74 7.286 7.286 8.232 -0.946 18234 5163 1 25 . 1 1 74 74 ASP N N 75 121.870 121.870 120.589 1.281 18234 5164 1 25 . 1 1 74 74 ASP H H 75 7.399 7.399 7.808 -0.409 18234 5165 1 25 . 1 1 75 75 GLY N N 76 112.230 112.230 106.743 5.487 18234 5166 1 25 . 1 1 75 75 GLY H H 76 8.728 8.728 8.216 0.512 18234 5167 1 25 . 1 1 76 76 ALA N N 77 121.970 121.970 119.492 2.478 18234 5168 1 25 . 1 1 76 76 ALA H H 77 8.558 8.558 7.806 0.752 18234 5169 1 25 . 1 1 77 77 MET N N 78 116.180 116.180 117.343 -1.163 18234 5170 1 25 . 1 1 77 77 MET H H 78 8.477 8.477 8.074 0.403 18234 5171 1 25 . 1 1 78 78 SER N N 79 112.910 112.910 113.961 -1.051 18234 5172 1 25 . 1 1 78 78 SER H H 79 7.436 7.436 7.466 -0.030 18234 5173 1 25 . 1 1 79 79 ALA N N 80 123.080 123.080 121.780 1.300 18234 5174 1 25 . 1 1 79 79 ALA H H 80 8.246 8.246 8.044 0.202 18234 5175 1 25 . 1 1 80 80 LEU N N 81 124.130 124.130 120.473 3.657 18234 5176 1 25 . 1 1 80 80 LEU H H 81 7.816 7.816 7.385 0.431 18234 5177 1 25 . 1 1 82 82 VAL N N 83 118.860 118.860 123.990 -5.130 18234 5178 1 25 . 1 1 82 82 VAL H H 83 7.731 7.731 8.565 -0.834 18234 5179 1 25 . 1 1 83 83 LEU N N 84 130.450 130.450 115.497 14.953 18234 5180 1 25 . 1 1 83 83 LEU H H 84 9.135 9.135 7.926 1.209 18234 5181 1 25 . 1 1 84 84 MET N N 85 124.080 124.080 113.613 10.467 18234 5182 1 25 . 1 1 84 84 MET H H 85 7.855 7.855 8.544 -0.689 18234 5183 1 25 . 1 1 85 85 VAL N N 86 124.810 124.810 122.636 2.174 18234 5184 1 25 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 5185 1 25 . 1 1 86 86 THR N N 87 116.560 116.560 114.514 2.046 18234 5186 1 25 . 1 1 86 86 THR H H 87 8.715 8.715 8.630 0.085 18234 5187 1 25 . 1 1 87 87 ALA N N 88 125.460 125.460 122.466 2.994 18234 5188 1 25 . 1 1 87 87 ALA H H 88 8.807 8.807 7.719 1.088 18234 5189 1 25 . 1 1 89 89 ALA N N 90 129.990 129.990 123.944 6.046 18234 5190 1 25 . 1 1 89 89 ALA H H 90 9.090 9.090 7.753 1.337 18234 5191 1 25 . 1 1 90 90 LYS N N 91 121.030 121.030 118.969 2.061 18234 5192 1 25 . 1 1 90 90 LYS H H 91 7.197 7.197 7.983 -0.786 18234 5193 1 25 . 1 1 92 92 GLU N N 93 116.280 116.280 119.460 -3.180 18234 5194 1 25 . 1 1 92 92 GLU H H 93 9.648 9.648 8.391 1.257 18234 5195 1 25 . 1 1 93 93 ASN N N 94 117.030 117.030 120.809 -3.779 18234 5196 1 25 . 1 1 93 93 ASN H H 94 7.116 7.116 8.379 -1.263 18234 5197 1 25 . 1 1 94 94 ILE N N 95 121.110 121.110 122.385 -1.275 18234 5198 1 25 . 1 1 94 94 ILE H H 95 7.546 7.546 8.131 -0.585 18234 5199 1 25 . 1 1 95 95 ILE N N 96 117.160 117.160 120.357 -3.197 18234 5200 1 25 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 5201 1 25 . 1 1 96 96 ALA N N 97 120.060 120.060 122.313 -2.253 18234 5202 1 25 . 1 1 96 96 ALA H H 97 7.541 7.541 8.008 -0.467 18234 5203 1 25 . 1 1 97 97 ALA N N 98 119.150 119.150 122.950 -3.800 18234 5204 1 25 . 1 1 97 97 ALA H H 98 8.524 8.524 8.249 0.275 18234 5205 1 25 . 1 1 99 99 GLN N N 100 118.210 118.210 119.256 -1.046 18234 5206 1 25 . 1 1 99 99 GLN H H 100 8.974 8.974 7.669 1.305 18234 5207 1 25 . 1 1 100 100 ALA N N 101 117.990 117.990 122.154 -4.164 18234 5208 1 25 . 1 1 100 100 ALA H H 101 7.624 7.624 7.853 -0.229 18234 5209 1 25 . 1 1 102 102 ALA N N 103 123.640 123.640 120.696 2.944 18234 5210 1 25 . 1 1 102 102 ALA H H 103 8.726 8.726 8.178 0.547 18234 5211 1 25 . 1 1 103 103 SER N N 104 115.000 115.000 115.306 -0.306 18234 5212 1 25 . 1 1 103 103 SER H H 104 9.114 9.114 7.635 1.479 18234 5213 1 25 . 1 1 104 104 GLY N N 105 125.250 125.250 107.434 17.816 18234 5214 1 25 . 1 1 104 104 GLY H H 105 7.442 7.442 7.781 -0.339 18234 5215 1 25 . 1 1 105 105 TYR N N 106 118.860 118.860 118.524 0.336 18234 5216 1 25 . 1 1 105 105 TYR H H 106 8.524 8.524 8.299 0.225 18234 5217 1 25 . 1 1 107 107 VAL N N 108 127.360 127.360 117.020 10.340 18234 5218 1 25 . 1 1 107 107 VAL H H 108 8.089 8.089 8.100 -0.011 18234 5219 1 25 . 1 1 108 108 LYS N N 109 123.480 123.480 120.077 3.403 18234 5220 1 25 . 1 1 108 108 LYS H H 109 8.376 8.376 7.779 0.597 18234 5221 1 25 . 1 1 111 111 THR N N 112 130.470 130.470 113.504 16.966 18234 5222 1 25 . 1 1 111 111 THR H H 112 7.916 7.916 8.318 -0.402 18234 5223 1 25 . 1 1 112 112 ALA N N 113 122.650 122.650 129.516 -6.866 18234 5224 1 25 . 1 1 112 112 ALA H H 113 9.188 9.188 8.777 0.411 18234 5225 1 25 . 1 1 113 113 ALA N N 114 118.690 118.690 121.420 -2.730 18234 5226 1 25 . 1 1 113 113 ALA H H 114 8.212 8.212 8.235 -0.023 18234 5227 1 25 . 1 1 115 115 LEU N N 116 121.770 121.770 125.063 -3.293 18234 5228 1 25 . 1 1 115 115 LEU H H 116 8.235 8.235 7.871 0.364 18234 5229 1 25 . 1 1 116 116 GLU N N 117 119.060 119.060 118.784 0.276 18234 5230 1 25 . 1 1 116 116 GLU H H 117 8.857 8.857 8.180 0.677 18234 5231 1 25 . 1 1 117 117 GLU N N 118 117.750 117.750 121.484 -3.734 18234 5232 1 25 . 1 1 117 117 GLU H H 118 7.670 7.670 8.404 -0.734 18234 5233 1 25 . 1 1 119 119 LEU N N 120 118.400 118.400 120.756 -2.356 18234 5234 1 25 . 1 1 119 119 LEU H H 120 8.543 8.543 7.939 0.604 18234 5235 1 25 . 1 1 120 120 ASN N N 121 115.130 115.130 118.590 -3.460 18234 5236 1 25 . 1 1 120 120 ASN H H 121 8.605 8.605 8.006 0.599 18234 5237 1 25 . 1 1 121 121 LYS N N 122 119.730 119.730 120.568 -0.838 18234 5238 1 25 . 1 1 121 121 LYS H H 122 7.585 7.585 7.916 -0.331 18234 5239 1 25 . 1 1 122 122 ILE N N 123 120.980 120.980 117.705 3.275 18234 5240 1 25 . 1 1 122 122 ILE H H 123 7.385 7.385 8.149 -0.764 18234 5241 1 25 . 1 1 123 123 PHE N N 124 117.660 117.660 117.048 0.612 18234 5242 1 25 . 1 1 123 123 PHE H H 124 9.111 9.111 8.198 0.913 18234 5243 1 25 . 1 1 124 124 GLU N N 125 119.190 119.190 120.165 -0.975 18234 5244 1 25 . 1 1 124 124 GLU H H 125 8.330 8.330 7.855 0.475 18234 5245 1 25 . 1 1 125 125 LYS N N 126 121.310 121.310 121.032 0.278 18234 5246 1 25 . 1 1 125 125 LYS H H 126 8.317 8.317 8.086 0.231 18234 5247 1 25 . 1 1 127 127 GLY N N 128 110.530 110.530 106.626 3.904 18234 5248 1 25 . 1 1 127 127 GLY H H 128 7.966 7.966 7.747 0.219 18234 5249 1 25 . 1 1 128 128 MET N N 129 124.430 124.430 118.172 6.258 18234 5250 1 25 . 1 1 128 128 MET H H 129 8.432 8.432 8.189 0.243 18234 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 105 6.879 -2.185 6.554 18234 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18234 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18234 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18234 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18234 6 1 1 "Average Difference" HN 105 0.771 -0.237 0.737 18234 7 1 2 "Average Difference" N 105 6.903 -2.345 6.524 18234 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18234 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18234 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18234 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18234 12 1 2 "Average Difference" HN 105 0.764 -0.234 0.731 18234 13 1 3 "Average Difference" N 105 6.871 -2.324 6.497 18234 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18234 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18234 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18234 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18234 18 1 3 "Average Difference" HN 105 0.746 -0.230 0.713 18234 19 1 4 "Average Difference" N 105 6.839 -2.230 6.496 18234 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18234 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18234 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18234 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18234 24 1 4 "Average Difference" HN 105 0.771 -0.223 0.742 18234 25 1 5 "Average Difference" N 105 6.808 -2.215 6.468 18234 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18234 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18234 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18234 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18234 30 1 5 "Average Difference" HN 105 0.736 -0.208 0.709 18234 31 1 6 "Average Difference" N 105 6.918 -2.346 6.539 18234 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18234 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18234 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18234 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18234 36 1 6 "Average Difference" HN 105 0.722 -0.201 0.697 18234 37 1 7 "Average Difference" N 105 6.821 -2.215 6.482 18234 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18234 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18234 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18234 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18234 42 1 7 "Average Difference" HN 105 0.777 -0.229 0.746 18234 43 1 8 "Average Difference" N 105 6.857 -2.267 6.503 18234 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18234 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18234 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18234 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18234 48 1 8 "Average Difference" HN 105 0.755 -0.240 0.719 18234 49 1 9 "Average Difference" N 105 6.847 -2.115 6.544 18234 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18234 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18234 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18234 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18234 54 1 9 "Average Difference" HN 105 0.776 -0.222 0.747 18234 55 1 10 "Average Difference" N 105 6.884 -2.170 6.564 18234 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18234 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18234 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18234 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18234 60 1 10 "Average Difference" HN 105 0.766 -0.230 0.734 18234 61 1 11 "Average Difference" N 105 6.914 -2.382 6.522 18234 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18234 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18234 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18234 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18234 66 1 11 "Average Difference" HN 105 0.753 -0.232 0.720 18234 67 1 12 "Average Difference" N 105 6.835 -2.290 6.471 18234 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18234 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18234 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18234 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18234 72 1 12 "Average Difference" HN 105 0.775 -0.227 0.744 18234 73 1 13 "Average Difference" N 105 6.828 -2.281 6.467 18234 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18234 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18234 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18234 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18234 78 1 13 "Average Difference" HN 105 0.743 -0.211 0.716 18234 79 1 14 "Average Difference" N 105 6.872 -2.267 6.519 18234 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18234 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18234 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18234 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18234 84 1 14 "Average Difference" HN 105 0.719 -0.201 0.693 18234 85 1 15 "Average Difference" N 105 6.861 -2.236 6.518 18234 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18234 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18234 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18234 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18234 90 1 15 "Average Difference" HN 105 0.725 -0.212 0.696 18234 91 1 16 "Average Difference" N 105 6.741 -2.173 6.411 18234 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18234 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18234 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18234 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18234 96 1 16 "Average Difference" HN 105 0.728 -0.204 0.702 18234 97 1 17 "Average Difference" N 105 6.805 -2.192 6.473 18234 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18234 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18234 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18234 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18234 102 1 17 "Average Difference" HN 105 0.769 -0.224 0.739 18234 103 1 18 "Average Difference" N 105 6.818 -2.125 6.510 18234 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18234 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18234 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18234 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18234 108 1 18 "Average Difference" HN 105 0.794 -0.233 0.763 18234 109 1 19 "Average Difference" N 105 6.776 -2.153 6.456 18234 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18234 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18234 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18234 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18234 114 1 19 "Average Difference" HN 105 0.748 -0.206 0.722 18234 115 1 20 "Average Difference" N 105 6.878 -2.230 6.537 18234 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18234 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18234 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18234 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18234 120 1 20 "Average Difference" HN 105 0.716 -0.195 0.693 18234 121 1 21 "Average Difference" N 105 6.904 -2.290 6.544 18234 122 1 21 "Average Difference" HA 0 0.000 0.000 0.000 18234 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18234 124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 18234 125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 18234 126 1 21 "Average Difference" HN 105 0.767 -0.232 0.735 18234 127 1 22 "Average Difference" N 105 6.808 -2.197 6.475 18234 128 1 22 "Average Difference" HA 0 0.000 0.000 0.000 18234 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18234 130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 18234 131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 18234 132 1 22 "Average Difference" HN 105 0.725 -0.196 0.701 18234 133 1 23 "Average Difference" N 105 6.851 -2.297 6.485 18234 134 1 23 "Average Difference" HA 0 0.000 0.000 0.000 18234 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18234 136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 18234 137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 18234 138 1 23 "Average Difference" HN 105 0.731 -0.217 0.702 18234 139 1 24 "Average Difference" N 105 6.793 -2.323 6.414 18234 140 1 24 "Average Difference" HA 0 0.000 0.000 0.000 18234 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18234 142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 18234 143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 18234 144 1 24 "Average Difference" HN 105 0.769 -0.248 0.732 18234 145 1 25 "Average Difference" N 105 6.807 -2.145 6.491 18234 146 1 25 "Average Difference" HA 0 0.000 0.000 0.000 18234 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18234 148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 18234 149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 18234 150 1 25 "Average Difference" HN 105 0.729 -0.223 0.697 18234 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 18234 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 3 121.390 121.390 123.179 -1.789 18234 2 1 . 1 1 2 2 ASP H H 3 8.589 8.589 8.436 0.153 18234 3 1 . 1 1 3 3 LYS N N 4 122.470 122.470 123.379 -0.909 18234 4 1 . 1 1 3 3 LYS H H 4 8.529 8.529 8.435 0.094 18234 5 1 . 1 1 4 4 GLU N N 5 119.020 119.020 117.372 1.648 18234 6 1 . 1 1 4 4 GLU H H 5 8.702 8.702 8.249 0.453 18234 7 1 . 1 1 5 5 LEU N N 6 124.230 124.230 121.198 3.032 18234 8 1 . 1 1 5 5 LEU H H 6 7.530 7.530 7.510 0.020 18234 9 1 . 1 1 6 6 LYS N N 7 126.090 126.090 121.512 4.578 18234 10 1 . 1 1 6 6 LYS H H 7 8.486 8.486 7.973 0.513 18234 11 1 . 1 1 7 7 PHE N N 8 128.540 128.540 116.171 12.369 18234 12 1 . 1 1 7 7 PHE H H 8 9.206 9.206 7.301 1.905 18234 13 1 . 1 1 8 8 LEU N N 9 121.920 121.920 122.063 -0.143 18234 14 1 . 1 1 8 8 LEU H H 9 8.827 8.827 7.713 1.114 18234 15 1 . 1 1 9 9 VAL N N 10 127.280 127.280 119.225 8.055 18234 16 1 . 1 1 9 9 VAL H H 10 8.983 8.983 8.662 0.321 18234 17 1 . 1 1 10 10 VAL N N 11 127.250 127.250 119.409 7.841 18234 18 1 . 1 1 10 10 VAL H H 11 9.251 9.251 8.388 0.863 18234 19 1 . 1 1 11 11 ASP N N 12 123.770 123.770 124.178 -0.408 18234 20 1 . 1 1 11 11 ASP H H 12 8.144 8.144 7.669 0.475 18234 21 1 . 1 1 12 12 ASP N N 13 124.940 124.940 118.701 6.239 18234 22 1 . 1 1 12 12 ASP H H 13 9.709 9.709 8.787 0.922 18234 23 1 . 1 1 14 14 SER N N 15 126.800 126.800 115.698 11.102 18234 24 1 . 1 1 14 14 SER H H 15 9.493 9.493 8.057 1.436 18234 25 1 . 1 1 15 15 THR N N 16 116.700 116.700 114.195 2.505 18234 26 1 . 1 1 15 15 THR H H 16 7.372 7.372 8.631 -1.259 18234 27 1 . 1 1 16 16 MET N N 17 119.000 119.000 118.098 0.902 18234 28 1 . 1 1 16 16 MET H H 17 6.326 6.326 7.852 -1.526 18234 29 1 . 1 1 17 17 ARG N N 18 116.670 116.670 119.939 -3.269 18234 30 1 . 1 1 17 17 ARG H H 18 7.515 7.515 7.759 -0.244 18234 31 1 . 1 1 18 18 ARG N N 19 116.980 116.980 119.436 -2.456 18234 32 1 . 1 1 18 18 ARG H H 19 7.638 7.638 8.592 -0.954 18234 33 1 . 1 1 19 19 ILE N N 20 120.790 120.790 118.753 2.037 18234 34 1 . 1 1 19 19 ILE H H 20 7.789 7.789 8.284 -0.495 18234 35 1 . 1 1 20 20 VAL N N 21 119.340 119.340 120.129 -0.789 18234 36 1 . 1 1 20 20 VAL H H 21 8.389 8.389 8.078 0.311 18234 37 1 . 1 1 21 21 ARG N N 22 119.430 119.430 119.315 0.115 18234 38 1 . 1 1 21 21 ARG H H 22 8.622 8.622 8.083 0.539 18234 39 1 . 1 1 23 23 LEU N N 24 123.390 123.390 120.558 2.832 18234 40 1 . 1 1 23 23 LEU H H 24 8.490 8.490 7.988 0.502 18234 41 1 . 1 1 25 25 LYS N N 26 120.620 120.620 120.236 0.384 18234 42 1 . 1 1 25 25 LYS H H 26 7.932 7.932 7.967 -0.035 18234 43 1 . 1 1 26 26 GLU N N 27 122.290 122.290 118.909 3.381 18234 44 1 . 1 1 26 26 GLU H H 27 7.985 7.985 8.463 -0.478 18234 45 1 . 1 1 27 27 LEU N N 28 117.210 117.210 117.141 0.069 18234 46 1 . 1 1 27 27 LEU H H 28 7.431 7.431 8.156 -0.725 18234 47 1 . 1 1 28 28 GLY N N 29 128.170 128.170 104.352 23.818 18234 48 1 . 1 1 28 28 GLY H H 29 7.735 7.735 7.645 0.090 18234 49 1 . 1 1 29 29 PHE N N 30 121.140 121.140 120.082 1.058 18234 50 1 . 1 1 29 29 PHE H H 30 8.188 8.188 7.425 0.763 18234 51 1 . 1 1 30 30 ASN N N 31 118.220 118.220 122.950 -4.730 18234 52 1 . 1 1 30 30 ASN H H 31 8.305 8.305 8.634 -0.329 18234 53 1 . 1 1 32 32 VAL N N 33 122.030 122.030 114.893 7.137 18234 54 1 . 1 1 32 32 VAL H H 33 7.522 7.522 8.722 -1.200 18234 55 1 . 1 1 33 33 GLU N N 34 126.880 126.880 119.516 7.364 18234 56 1 . 1 1 33 33 GLU H H 34 9.124 9.124 7.729 1.395 18234 57 1 . 1 1 35 35 ALA N N 36 120.500 120.500 126.503 -6.003 18234 58 1 . 1 1 35 35 ALA H H 36 8.878 8.878 8.125 0.753 18234 59 1 . 1 1 36 36 GLU N N 37 117.420 117.420 127.613 -10.193 18234 60 1 . 1 1 36 36 GLU H H 37 9.476 9.476 8.918 0.558 18234 61 1 . 1 1 37 37 ASP N N 38 131.500 131.500 117.571 13.929 18234 62 1 . 1 1 37 37 ASP H H 38 7.450 7.450 8.191 -0.741 18234 63 1 . 1 1 38 38 GLY N N 39 124.390 124.390 108.138 16.252 18234 64 1 . 1 1 38 38 GLY H H 39 8.148 8.148 7.763 0.385 18234 65 1 . 1 1 39 39 VAL N N 40 122.620 122.620 119.798 2.822 18234 66 1 . 1 1 39 39 VAL H H 40 7.962 7.962 8.063 -0.101 18234 67 1 . 1 1 40 40 ASP N N 41 121.110 121.110 119.004 2.106 18234 68 1 . 1 1 40 40 ASP H H 41 8.518 8.518 8.325 0.193 18234 69 1 . 1 1 41 41 ALA N N 42 116.970 116.970 122.757 -5.787 18234 70 1 . 1 1 41 41 ALA H H 42 8.337 8.337 7.337 1.000 18234 71 1 . 1 1 42 42 LEU N N 43 118.280 118.280 120.042 -1.762 18234 72 1 . 1 1 42 42 LEU H H 43 8.121 8.121 7.504 0.617 18234 73 1 . 1 1 45 45 LEU N N 46 118.530 118.530 120.567 -2.037 18234 74 1 . 1 1 45 45 LEU H H 46 8.748 8.748 8.096 0.652 18234 75 1 . 1 1 46 46 GLN N N 47 116.820 116.820 118.638 -1.818 18234 76 1 . 1 1 46 46 GLN H H 47 7.865 7.865 8.069 -0.204 18234 77 1 . 1 1 47 47 ALA N N 48 120.460 120.460 122.733 -2.273 18234 78 1 . 1 1 47 47 ALA H H 48 7.611 7.611 8.268 -0.657 18234 79 1 . 1 1 48 48 GLY N N 49 126.280 126.280 108.641 17.639 18234 80 1 . 1 1 48 48 GLY H H 49 7.574 7.574 8.187 -0.612 18234 81 1 . 1 1 49 49 GLY N N 50 125.810 125.810 110.977 14.833 18234 82 1 . 1 1 49 49 GLY H H 50 8.367 8.367 8.496 -0.129 18234 83 1 . 1 1 50 50 TYR N N 51 118.740 118.740 121.039 -2.299 18234 84 1 . 1 1 50 50 TYR H H 51 8.126 8.126 8.303 -0.177 18234 85 1 . 1 1 51 51 GLY N N 52 128.900 128.900 105.907 22.993 18234 86 1 . 1 1 51 51 GLY H H 52 9.556 9.556 7.910 1.646 18234 87 1 . 1 1 52 52 PHE N N 53 121.380 121.380 120.613 0.767 18234 88 1 . 1 1 52 52 PHE H H 53 7.527 7.527 7.955 -0.428 18234 89 1 . 1 1 53 53 VAL N N 54 127.150 127.150 121.382 5.768 18234 90 1 . 1 1 53 53 VAL H H 54 8.246 8.246 8.153 0.093 18234 91 1 . 1 1 54 54 ILE N N 55 128.130 128.130 118.679 9.451 18234 92 1 . 1 1 54 54 ILE H H 55 9.235 9.235 8.212 1.023 18234 93 1 . 1 1 55 55 SER N N 56 118.200 118.200 119.507 -1.307 18234 94 1 . 1 1 55 55 SER H H 56 8.678 8.678 7.896 0.782 18234 95 1 . 1 1 56 56 ASP N N 57 127.290 127.290 117.499 9.791 18234 96 1 . 1 1 56 56 ASP H H 57 8.412 8.412 7.201 1.211 18234 97 1 . 1 1 58 58 ASN N N 59 116.980 116.980 120.071 -3.091 18234 98 1 . 1 1 58 58 ASN H H 59 8.716 8.716 8.223 0.493 18234 99 1 . 1 1 61 61 ASN N N 62 112.140 112.140 118.832 -6.692 18234 100 1 . 1 1 61 61 ASN H H 62 8.598 8.598 7.816 0.782 18234 101 1 . 1 1 62 62 MET N N 63 122.950 122.950 119.780 3.170 18234 102 1 . 1 1 62 62 MET H H 63 9.192 9.192 8.598 0.594 18234 103 1 . 1 1 63 63 ASP N N 64 126.540 126.540 119.543 6.997 18234 104 1 . 1 1 63 63 ASP H H 64 8.518 8.518 8.352 0.166 18234 105 1 . 1 1 65 65 LEU N N 66 121.870 121.870 122.532 -0.662 18234 106 1 . 1 1 65 65 LEU H H 66 7.733 7.733 8.478 -0.745 18234 107 1 . 1 1 66 66 GLU N N 67 119.470 119.470 124.457 -4.987 18234 108 1 . 1 1 66 66 GLU H H 67 8.085 8.085 8.208 -0.123 18234 109 1 . 1 1 67 67 LEU N N 68 123.910 123.910 118.833 5.077 18234 110 1 . 1 1 67 67 LEU H H 68 8.299 8.299 8.026 0.273 18234 111 1 . 1 1 68 68 LEU N N 69 120.640 120.640 121.054 -0.414 18234 112 1 . 1 1 68 68 LEU H H 69 8.249 8.249 7.676 0.573 18234 113 1 . 1 1 69 69 LYS N N 70 116.080 116.080 120.265 -4.185 18234 114 1 . 1 1 69 69 LYS H H 70 8.400 8.400 8.528 -0.128 18234 115 1 . 1 1 70 70 THR N N 71 117.490 117.490 114.032 3.458 18234 116 1 . 1 1 70 70 THR H H 71 8.028 8.028 7.748 0.280 18234 117 1 . 1 1 71 71 ILE N N 72 123.640 123.640 120.494 3.146 18234 118 1 . 1 1 71 71 ILE H H 72 8.459 8.459 7.505 0.954 18234 119 1 . 1 1 72 72 ARG N N 73 113.350 113.350 118.805 -5.455 18234 120 1 . 1 1 72 72 ARG H H 73 8.112 8.112 8.357 -0.245 18234 121 1 . 1 1 73 73 ALA N N 74 118.900 118.900 122.518 -3.618 18234 122 1 . 1 1 73 73 ALA H H 74 7.286 7.286 8.244 -0.958 18234 123 1 . 1 1 74 74 ASP N N 75 121.870 121.870 120.589 1.281 18234 124 1 . 1 1 74 74 ASP H H 75 7.399 7.399 7.809 -0.410 18234 125 1 . 1 1 75 75 GLY N N 76 112.230 112.230 106.754 5.476 18234 126 1 . 1 1 75 75 GLY H H 76 8.728 8.728 8.219 0.509 18234 127 1 . 1 1 76 76 ALA N N 77 121.970 121.970 119.428 2.542 18234 128 1 . 1 1 76 76 ALA H H 77 8.558 8.558 7.807 0.751 18234 129 1 . 1 1 77 77 MET N N 78 116.180 116.180 117.349 -1.169 18234 130 1 . 1 1 77 77 MET H H 78 8.477 8.477 8.077 0.400 18234 131 1 . 1 1 78 78 SER N N 79 112.910 112.910 113.955 -1.045 18234 132 1 . 1 1 78 78 SER H H 79 7.436 7.436 7.467 -0.031 18234 133 1 . 1 1 79 79 ALA N N 80 123.080 123.080 121.776 1.304 18234 134 1 . 1 1 79 79 ALA H H 80 8.246 8.246 8.047 0.199 18234 135 1 . 1 1 80 80 LEU N N 81 124.130 124.130 120.478 3.652 18234 136 1 . 1 1 80 80 LEU H H 81 7.816 7.816 7.387 0.429 18234 137 1 . 1 1 82 82 VAL N N 83 118.860 118.860 123.982 -5.122 18234 138 1 . 1 1 82 82 VAL H H 83 7.731 7.731 8.567 -0.836 18234 139 1 . 1 1 83 83 LEU N N 84 130.450 130.450 115.492 14.958 18234 140 1 . 1 1 83 83 LEU H H 84 9.135 9.135 7.927 1.208 18234 141 1 . 1 1 84 84 MET N N 85 124.080 124.080 113.603 10.477 18234 142 1 . 1 1 84 84 MET H H 85 7.855 7.855 8.545 -0.690 18234 143 1 . 1 1 85 85 VAL N N 86 124.810 124.810 122.642 2.168 18234 144 1 . 1 1 85 85 VAL H H 86 9.198 9.198 7.635 1.563 18234 145 1 . 1 1 86 86 THR N N 87 116.560 116.560 114.523 2.037 18234 146 1 . 1 1 86 86 THR H H 87 8.715 8.715 8.634 0.081 18234 147 1 . 1 1 87 87 ALA N N 88 125.460 125.460 122.457 3.003 18234 148 1 . 1 1 87 87 ALA H H 88 8.807 8.807 7.723 1.084 18234 149 1 . 1 1 89 89 ALA N N 90 129.990 129.990 123.947 6.043 18234 150 1 . 1 1 89 89 ALA H H 90 9.090 9.090 7.751 1.339 18234 151 1 . 1 1 90 90 LYS N N 91 121.030 121.030 118.967 2.063 18234 152 1 . 1 1 90 90 LYS H H 91 7.197 7.197 7.978 -0.781 18234 153 1 . 1 1 92 92 GLU N N 93 116.280 116.280 119.461 -3.181 18234 154 1 . 1 1 92 92 GLU H H 93 9.648 9.648 8.388 1.260 18234 155 1 . 1 1 93 93 ASN N N 94 117.030 117.030 120.804 -3.774 18234 156 1 . 1 1 93 93 ASN H H 94 7.116 7.116 8.377 -1.261 18234 157 1 . 1 1 94 94 ILE N N 95 121.110 121.110 122.388 -1.278 18234 158 1 . 1 1 94 94 ILE H H 95 7.546 7.546 8.135 -0.589 18234 159 1 . 1 1 95 95 ILE N N 96 117.160 117.160 120.359 -3.199 18234 160 1 . 1 1 95 95 ILE H H 96 8.172 8.172 8.114 0.058 18234 161 1 . 1 1 96 96 ALA N N 97 120.060 120.060 122.308 -2.248 18234 162 1 . 1 1 96 96 ALA H H 97 7.541 7.541 8.006 -0.465 18234 163 1 . 1 1 97 97 ALA N N 98 119.150 119.150 122.953 -3.803 18234 164 1 . 1 1 97 97 ALA H H 98 8.524 8.524 8.249 0.275 18234 165 1 . 1 1 99 99 GLN N N 100 118.210 118.210 119.241 -1.031 18234 166 1 . 1 1 99 99 GLN H H 100 8.974 8.974 7.658 1.316 18234 167 1 . 1 1 100 100 ALA N N 101 117.990 117.990 122.130 -4.140 18234 168 1 . 1 1 100 100 ALA H H 101 7.624 7.624 7.840 -0.216 18234 169 1 . 1 1 102 102 ALA N N 103 123.640 123.640 120.619 3.021 18234 170 1 . 1 1 102 102 ALA H H 103 8.726 8.726 8.125 0.601 18234 171 1 . 1 1 103 103 SER N N 104 115.000 115.000 115.228 -0.228 18234 172 1 . 1 1 103 103 SER H H 104 9.114 9.114 7.565 1.549 18234 173 1 . 1 1 104 104 GLY N N 105 125.250 125.250 107.287 17.963 18234 174 1 . 1 1 104 104 GLY H H 105 7.442 7.442 7.646 -0.204 18234 175 1 . 1 1 105 105 TYR N N 106 118.860 118.860 118.338 0.522 18234 176 1 . 1 1 105 105 TYR H H 106 8.524 8.524 8.078 0.446 18234 177 1 . 1 1 107 107 VAL N N 108 127.360 127.360 116.987 10.373 18234 178 1 . 1 1 107 107 VAL H H 108 8.089 8.089 8.035 0.054 18234 179 1 . 1 1 108 108 LYS N N 109 123.480 123.480 120.019 3.461 18234 180 1 . 1 1 108 108 LYS H H 109 8.376 8.376 7.706 0.670 18234 181 1 . 1 1 111 111 THR N N 112 130.470 130.470 113.491 16.979 18234 182 1 . 1 1 111 111 THR H H 112 7.916 7.916 8.296 -0.380 18234 183 1 . 1 1 112 112 ALA N N 113 122.650 122.650 129.503 -6.853 18234 184 1 . 1 1 112 112 ALA H H 113 9.188 9.188 8.764 0.424 18234 185 1 . 1 1 113 113 ALA N N 114 118.690 118.690 121.421 -2.731 18234 186 1 . 1 1 113 113 ALA H H 114 8.212 8.212 8.227 -0.015 18234 187 1 . 1 1 115 115 LEU N N 116 121.770 121.770 125.003 -3.233 18234 188 1 . 1 1 115 115 LEU H H 116 8.235 8.235 7.948 0.287 18234 189 1 . 1 1 116 116 GLU N N 117 119.060 119.060 118.790 0.270 18234 190 1 . 1 1 116 116 GLU H H 117 8.857 8.857 8.179 0.678 18234 191 1 . 1 1 117 117 GLU N N 118 117.750 117.750 121.486 -3.736 18234 192 1 . 1 1 117 117 GLU H H 118 7.670 7.670 8.402 -0.732 18234 193 1 . 1 1 119 119 LEU N N 120 118.400 118.400 120.758 -2.358 18234 194 1 . 1 1 119 119 LEU H H 120 8.543 8.543 7.940 0.603 18234 195 1 . 1 1 120 120 ASN N N 121 115.130 115.130 118.590 -3.460 18234 196 1 . 1 1 120 120 ASN H H 121 8.605 8.605 8.007 0.598 18234 197 1 . 1 1 121 121 LYS N N 122 119.730 119.730 120.560 -0.830 18234 198 1 . 1 1 121 121 LYS H H 122 7.585 7.585 7.917 -0.332 18234 199 1 . 1 1 122 122 ILE N N 123 120.980 120.980 117.715 3.265 18234 200 1 . 1 1 122 122 ILE H H 123 7.385 7.385 8.153 -0.767 18234 201 1 . 1 1 123 123 PHE N N 124 117.660 117.660 117.044 0.616 18234 202 1 . 1 1 123 123 PHE H H 124 9.111 9.111 8.195 0.916 18234 203 1 . 1 1 124 124 GLU N N 125 119.190 119.190 120.158 -0.968 18234 204 1 . 1 1 124 124 GLU H H 125 8.330 8.330 7.854 0.476 18234 205 1 . 1 1 125 125 LYS N N 126 121.310 121.310 121.034 0.276 18234 206 1 . 1 1 125 125 LYS H H 126 8.317 8.317 8.087 0.230 18234 207 1 . 1 1 127 127 GLY N N 128 110.530 110.530 106.639 3.891 18234 208 1 . 1 1 127 127 GLY H H 128 7.966 7.966 7.749 0.217 18234 209 1 . 1 1 128 128 MET N N 129 124.430 124.430 118.099 6.331 18234 210 1 . 1 1 128 128 MET H H 129 8.432 8.432 8.181 0.251 18234 stop_ save_