data_17903 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17903 _Entry.PDB_ID 2LIR 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 17903 _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 3 3 PHE HA H -3 4.278 4.278 4.639 -0.361 17903 2 1 1 . 1 1 3 3 PHE H H -3 7.737 7.737 8.685 -0.948 17903 3 1 1 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.586 -0.794 17903 4 1 1 . 1 1 4 4 LYS H H -2 6.597 6.597 8.031 -1.434 17903 5 1 1 . 1 1 8 8 SER HA H 2 3.982 3.982 4.779 -0.797 17903 6 1 1 . 1 1 8 8 SER H H 2 9.365 9.365 8.975 0.390 17903 7 1 1 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.304 -0.188 17903 8 1 1 . 1 1 9 9 ALA H H 3 8.961 8.961 8.972 -0.011 17903 9 1 1 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.964 0.361 17903 10 1 1 . 1 1 10 10 LYS H H 4 8.198 8.198 8.532 -0.334 17903 11 1 1 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.133 -0.101 17903 12 1 1 . 1 1 11 11 LYS H H 5 7.710 7.710 7.530 0.180 17903 13 1 1 . 1 1 12 12 GLY H H 6 8.619 8.619 7.705 0.914 17903 14 1 1 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.314 -1.130 17903 15 1 1 . 1 1 13 13 ALA H H 7 7.907 7.907 8.538 -0.631 17903 16 1 1 . 1 1 14 14 THR HA H 8 4.095 4.095 4.056 0.039 17903 17 1 1 . 1 1 14 14 THR H H 8 7.159 7.159 7.434 -0.275 17903 18 1 1 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.155 -0.411 17903 19 1 1 . 1 1 15 15 LEU H H 9 7.867 7.867 8.226 -0.359 17903 20 1 1 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.260 -0.482 17903 21 1 1 . 1 1 16 16 PHE H H 10 8.400 8.400 7.883 0.517 17903 22 1 1 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.161 0.079 17903 23 1 1 . 1 1 17 17 LYS H H 11 8.101 8.101 7.682 0.419 17903 24 1 1 . 1 1 18 18 THR HA H 12 4.240 4.240 4.358 -0.118 17903 25 1 1 . 1 1 18 18 THR H H 12 7.740 7.740 8.242 -0.502 17903 26 1 1 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.501 0.056 17903 27 1 1 . 1 1 19 19 ARG H H 13 8.200 8.200 7.556 0.644 17903 28 1 1 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.368 -2.894 17903 29 1 1 . 1 1 20 20 CYS H H 14 7.743 7.743 7.782 -0.039 17903 30 1 1 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.302 1.942 17903 31 1 1 . 1 1 21 21 LEU H H 15 8.143 8.143 7.825 0.318 17903 32 1 1 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.053 0.779 17903 33 1 1 . 1 1 22 22 GLN H H 16 9.961 9.961 7.784 2.177 17903 34 1 1 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.692 0.969 17903 35 1 1 . 1 1 23 23 CYS H H 17 9.961 9.961 7.477 2.484 17903 36 1 1 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.997 3.526 17903 37 1 1 . 1 1 24 24 HIS H H 18 10.592 10.592 8.576 2.016 17903 38 1 1 . 1 1 25 25 THR HA H 19 6.076 6.076 4.655 1.421 17903 39 1 1 . 1 1 25 25 THR H H 19 10.271 10.271 8.564 1.707 17903 40 1 1 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.838 1.013 17903 41 1 1 . 1 1 26 26 VAL H H 20 9.167 9.167 8.609 0.558 17903 42 1 1 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.897 0.571 17903 43 1 1 . 1 1 27 27 GLU H H 21 9.353 9.353 7.837 1.516 17903 44 1 1 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.256 -0.459 17903 45 1 1 . 1 1 28 28 LYS H H 22 9.566 9.566 8.540 1.026 17903 46 1 1 . 1 1 29 29 GLY H H 23 9.546 9.546 8.774 0.772 17903 47 1 1 . 1 1 30 30 GLY H H 24 8.353 8.353 7.347 1.006 17903 48 1 1 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.123 0.434 17903 49 1 1 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.406 0.450 17903 50 1 1 . 1 1 33 33 LYS H H 27 8.395 8.395 8.405 -0.010 17903 51 1 1 . 1 1 34 34 VAL HA H 28 3.315 3.315 3.878 -0.563 17903 52 1 1 . 1 1 34 34 VAL H H 28 7.759 7.759 8.089 -0.330 17903 53 1 1 . 1 1 35 35 GLY H H 29 7.665 7.665 7.405 0.260 17903 54 1 1 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.734 -0.800 17903 55 1 1 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.351 0.809 17903 56 1 1 . 1 1 37 37 ASN H H 31 9.976 9.976 9.141 0.835 17903 57 1 1 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.696 0.064 17903 58 1 1 . 1 1 38 38 LEU H H 32 9.635 9.635 8.536 1.099 17903 59 1 1 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.267 0.018 17903 60 1 1 . 1 1 39 39 HIS H H 33 7.334 7.334 8.624 -1.290 17903 61 1 1 . 1 1 40 40 GLY H H 34 9.079 9.079 8.696 0.383 17903 62 1 1 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.090 -0.486 17903 63 1 1 . 1 1 41 41 ILE H H 35 7.151 7.151 7.895 -0.744 17903 64 1 1 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.259 -0.115 17903 65 1 1 . 1 1 42 42 PHE H H 36 7.787 7.787 8.649 -0.862 17903 66 1 1 . 1 1 43 43 GLY H H 37 8.679 8.679 7.607 1.072 17903 67 1 1 . 1 1 44 44 ARG H H 38 7.793 7.793 8.223 -0.430 17903 68 1 1 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.640 0.460 17903 69 1 1 . 1 1 45 45 HIS H H 39 8.030 8.030 8.783 -0.753 17903 70 1 1 . 1 1 46 46 SER HA H 40 4.374 4.374 4.438 -0.064 17903 71 1 1 . 1 1 46 46 SER H H 40 8.708 8.708 7.807 0.901 17903 72 1 1 . 1 1 47 47 GLY H H 41 8.616 8.616 8.040 0.576 17903 73 1 1 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.566 -0.315 17903 74 1 1 . 1 1 48 48 GLN H H 42 7.900 7.900 7.616 0.284 17903 75 1 1 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.794 -0.658 17903 76 1 1 . 1 1 49 49 ALA H H 43 8.191 8.191 8.509 -0.318 17903 77 1 1 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.304 -0.159 17903 78 1 1 . 1 1 50 50 GLU H H 44 8.663 8.663 8.854 -0.191 17903 79 1 1 . 1 1 51 51 GLY H H 45 7.154 7.154 8.482 -1.328 17903 80 1 1 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.529 -0.830 17903 81 1 1 . 1 1 52 52 TYR H H 46 6.933 6.933 6.649 0.284 17903 82 1 1 . 1 1 53 53 SER HA H 47 4.100 4.100 4.126 -0.026 17903 83 1 1 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.073 0.038 17903 84 1 1 . 1 1 54 54 TYR H H 48 7.563 7.563 8.393 -0.830 17903 85 1 1 . 1 1 55 55 THR HA H 49 4.265 4.265 4.354 -0.089 17903 86 1 1 . 1 1 55 55 THR H H 49 7.989 7.989 8.254 -0.265 17903 87 1 1 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.223 0.093 17903 88 1 1 . 1 1 56 56 ASP H H 50 8.714 8.714 9.124 -0.410 17903 89 1 1 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.066 0.054 17903 90 1 1 . 1 1 57 57 ALA H H 51 8.127 8.127 8.459 -0.332 17903 91 1 1 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.561 0.098 17903 92 1 1 . 1 1 58 58 ASN H H 52 8.407 8.407 8.474 -0.067 17903 93 1 1 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.811 -0.114 17903 94 1 1 . 1 1 59 59 ILE H H 53 7.643 7.643 8.488 -0.845 17903 95 1 1 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.088 0.018 17903 96 1 1 . 1 1 60 60 LYS H H 54 8.948 8.948 7.929 1.019 17903 97 1 1 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.297 -0.261 17903 98 1 1 . 1 1 61 61 LYS H H 55 7.419 7.419 7.381 0.038 17903 99 1 1 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.948 -0.647 17903 100 1 1 . 1 1 62 62 ASN H H 56 7.414 7.414 8.443 -1.029 17903 101 1 1 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.941 0.027 17903 102 1 1 . 1 1 63 63 VAL H H 57 7.776 7.776 8.107 -0.331 17903 103 1 1 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.371 0.411 17903 104 1 1 . 1 1 64 64 LEU H H 58 8.402 8.402 7.987 0.415 17903 105 1 1 . 1 1 65 65 TRP H H 59 7.766 7.766 8.056 -0.290 17903 106 1 1 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.901 -0.129 17903 107 1 1 . 1 1 66 66 ASP H H 60 9.950 9.950 8.349 1.601 17903 108 1 1 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.152 -0.852 17903 109 1 1 . 1 1 67 67 GLU H H 61 10.010 10.010 8.804 1.206 17903 110 1 1 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.645 -0.078 17903 111 1 1 . 1 1 68 68 ASN H H 62 8.207 8.207 8.305 -0.098 17903 112 1 1 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.566 -0.103 17903 113 1 1 . 1 1 69 69 ASN H H 63 9.442 9.442 8.214 1.228 17903 114 1 1 . 1 1 70 70 MET HA H 64 4.330 4.330 4.178 0.152 17903 115 1 1 . 1 1 70 70 MET H H 64 8.891 8.891 8.996 -0.105 17903 116 1 1 . 1 1 71 71 SER HA H 65 3.572 3.572 4.202 -0.630 17903 117 1 1 . 1 1 71 71 SER H H 65 7.660 7.660 8.020 -0.360 17903 118 1 1 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.164 -0.254 17903 119 1 1 . 1 1 72 72 GLU H H 66 7.657 7.657 7.827 -0.170 17903 120 1 1 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.273 0.123 17903 121 1 1 . 1 1 73 73 TYR H H 67 8.935 8.935 7.779 1.156 17903 122 1 1 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.755 -0.003 17903 123 1 1 . 1 1 74 74 LEU H H 68 8.189 8.189 8.478 -0.289 17903 124 1 1 . 1 1 75 75 THR HA H 69 3.851 3.851 3.906 -0.055 17903 125 1 1 . 1 1 75 75 THR H H 69 7.421 7.421 7.622 -0.201 17903 126 1 1 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.764 0.238 17903 127 1 1 . 1 1 76 76 ASN H H 70 6.632 6.632 7.440 -0.808 17903 128 1 1 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.468 6.803 17903 129 1 1 . 1 1 77 77 HIS H H 71 11.262 11.262 8.634 2.628 17903 130 1 1 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.562 1.663 17903 131 1 1 . 1 1 78 78 ALA H H 72 9.567 9.567 7.717 1.850 17903 132 1 1 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.095 0.366 17903 133 1 1 . 1 1 79 79 LYS H H 73 8.017 8.017 8.331 -0.314 17903 134 1 1 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.417 -0.204 17903 135 1 1 . 1 1 80 80 TYR H H 74 8.270 8.270 8.148 0.122 17903 136 1 1 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.575 0.180 17903 137 1 1 . 1 1 81 81 ILE H H 75 9.605 9.605 7.978 1.627 17903 138 1 1 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.372 1.143 17903 139 1 1 . 1 1 83 83 GLY H H 77 9.364 9.364 8.489 0.875 17903 140 1 1 . 1 1 84 84 THR HA H 78 5.970 5.970 4.393 1.577 17903 141 1 1 . 1 1 84 84 THR H H 78 8.938 8.938 7.774 1.164 17903 142 1 1 . 1 1 85 85 LYS H H 79 8.058 8.058 8.607 -0.549 17903 143 1 1 . 1 1 86 86 MET HA H 80 4.582 4.582 4.658 -0.076 17903 144 1 1 . 1 1 86 86 MET H H 80 8.681 8.681 8.220 0.461 17903 145 1 1 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.406 0.756 17903 146 1 1 . 1 1 87 87 ALA H H 81 8.014 8.014 8.628 -0.614 17903 147 1 1 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.709 -0.285 17903 148 1 1 . 1 1 88 88 PHE H H 82 8.708 8.708 8.016 0.692 17903 149 1 1 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.549 -0.557 17903 150 1 1 . 1 1 91 91 LEU H H 85 8.409 8.409 8.986 -0.577 17903 151 1 1 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.016 -0.046 17903 152 1 1 . 1 1 92 92 LYS H H 86 8.165 8.165 8.185 -0.020 17903 153 1 1 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.172 0.153 17903 154 1 1 . 1 1 93 93 LYS H H 87 8.256 8.256 7.837 0.419 17903 155 1 1 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.001 -0.666 17903 156 1 1 . 1 1 94 94 GLU H H 88 8.436 8.436 9.023 -0.587 17903 157 1 1 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.995 -0.155 17903 158 1 1 . 1 1 95 95 LYS H H 89 8.711 8.711 8.385 0.326 17903 159 1 1 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.488 -0.426 17903 160 1 1 . 1 1 96 96 ASP H H 90 6.317 6.317 7.765 -1.448 17903 161 1 1 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.796 -0.380 17903 162 1 1 . 1 1 97 97 ARG H H 91 7.422 7.422 7.883 -0.461 17903 163 1 1 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.299 -0.461 17903 164 1 1 . 1 1 98 98 ASN H H 92 8.486 8.486 8.575 -0.089 17903 165 1 1 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.474 -0.455 17903 166 1 1 . 1 1 99 99 ASP H H 93 8.620 8.620 7.782 0.838 17903 167 1 1 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.156 -0.520 17903 168 1 1 . 1 1 100 100 LEU H H 94 8.189 8.189 8.336 -0.147 17903 169 1 1 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.837 -1.011 17903 170 1 1 . 1 1 101 101 ILE H H 95 8.672 8.672 8.046 0.626 17903 171 1 1 . 1 1 102 102 THR HA H 96 3.825 3.825 4.047 -0.222 17903 172 1 1 . 1 1 102 102 THR H H 96 7.928 7.928 8.219 -0.291 17903 173 1 1 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.262 -0.281 17903 174 1 1 . 1 1 103 103 TYR H H 97 7.499 7.499 7.719 -0.220 17903 175 1 1 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.394 -0.455 17903 176 1 1 . 1 1 104 104 LEU H H 98 8.853 8.853 7.822 1.031 17903 177 1 1 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.522 -0.236 17903 178 1 1 . 1 1 105 105 LYS H H 99 8.294 8.294 8.606 -0.312 17903 179 1 1 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.066 0.051 17903 180 1 1 . 1 1 106 106 LYS H H 100 6.365 6.365 7.379 -1.014 17903 181 1 1 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.983 -0.100 17903 182 1 1 . 1 1 107 107 ALA H H 101 8.188 8.188 7.353 0.835 17903 183 1 1 . 1 1 108 108 THR H H 102 6.404 6.404 7.652 -1.248 17903 184 1 2 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.835 -0.557 17903 185 1 2 . 1 1 3 3 PHE H H -3 7.737 7.737 7.862 -0.125 17903 186 1 2 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.318 -0.526 17903 187 1 2 . 1 1 4 4 LYS H H -2 6.597 6.597 8.569 -1.972 17903 188 1 2 . 1 1 8 8 SER HA H 2 3.982 3.982 4.821 -0.839 17903 189 1 2 . 1 1 8 8 SER H H 2 9.365 9.365 8.438 0.927 17903 190 1 2 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.310 -0.194 17903 191 1 2 . 1 1 9 9 ALA H H 3 8.961 8.961 8.970 -0.009 17903 192 1 2 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.966 0.359 17903 193 1 2 . 1 1 10 10 LYS H H 4 8.198 8.198 8.352 -0.154 17903 194 1 2 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.113 -0.081 17903 195 1 2 . 1 1 11 11 LYS H H 5 7.710 7.710 7.441 0.269 17903 196 1 2 . 1 1 12 12 GLY H H 6 8.619 8.619 7.711 0.908 17903 197 1 2 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.887 -0.703 17903 198 1 2 . 1 1 13 13 ALA H H 7 7.907 7.907 8.344 -0.437 17903 199 1 2 . 1 1 14 14 THR HA H 8 4.095 4.095 4.053 0.042 17903 200 1 2 . 1 1 14 14 THR H H 8 7.159 7.159 7.586 -0.427 17903 201 1 2 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.147 -0.403 17903 202 1 2 . 1 1 15 15 LEU H H 9 7.867 7.867 8.003 -0.136 17903 203 1 2 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.226 -0.448 17903 204 1 2 . 1 1 16 16 PHE H H 10 8.400 8.400 7.969 0.431 17903 205 1 2 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.161 0.079 17903 206 1 2 . 1 1 17 17 LYS H H 11 8.101 8.101 7.619 0.482 17903 207 1 2 . 1 1 18 18 THR HA H 12 4.240 4.240 4.362 -0.122 17903 208 1 2 . 1 1 18 18 THR H H 12 7.740 7.740 8.206 -0.466 17903 209 1 2 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.481 0.076 17903 210 1 2 . 1 1 19 19 ARG H H 13 8.200 8.200 7.548 0.652 17903 211 1 2 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.259 -2.785 17903 212 1 2 . 1 1 20 20 CYS H H 14 7.743 7.743 7.720 0.023 17903 213 1 2 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.341 1.903 17903 214 1 2 . 1 1 21 21 LEU H H 15 8.143 8.143 7.915 0.228 17903 215 1 2 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.039 0.793 17903 216 1 2 . 1 1 22 22 GLN H H 16 9.961 9.961 7.712 2.249 17903 217 1 2 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.675 0.986 17903 218 1 2 . 1 1 23 23 CYS H H 17 9.961 9.961 7.537 2.424 17903 219 1 2 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.002 3.521 17903 220 1 2 . 1 1 24 24 HIS H H 18 10.592 10.592 8.580 2.012 17903 221 1 2 . 1 1 25 25 THR HA H 19 6.076 6.076 4.746 1.330 17903 222 1 2 . 1 1 25 25 THR H H 19 10.271 10.271 8.561 1.710 17903 223 1 2 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.353 0.498 17903 224 1 2 . 1 1 26 26 VAL H H 20 9.167 9.167 8.546 0.621 17903 225 1 2 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.982 0.486 17903 226 1 2 . 1 1 27 27 GLU H H 21 9.353 9.353 7.799 1.554 17903 227 1 2 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.089 -0.292 17903 228 1 2 . 1 1 28 28 LYS H H 22 9.566 9.566 8.377 1.189 17903 229 1 2 . 1 1 29 29 GLY H H 23 9.546 9.546 7.546 2.000 17903 230 1 2 . 1 1 30 30 GLY H H 24 8.353 8.353 8.137 0.216 17903 231 1 2 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.210 0.347 17903 232 1 2 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.910 -0.054 17903 233 1 2 . 1 1 33 33 LYS H H 27 8.395 8.395 7.753 0.642 17903 234 1 2 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.203 -0.888 17903 235 1 2 . 1 1 34 34 VAL H H 28 7.759 7.759 8.243 -0.484 17903 236 1 2 . 1 1 35 35 GLY H H 29 7.665 7.665 7.580 0.085 17903 237 1 2 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.314 -0.380 17903 238 1 2 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.161 0.999 17903 239 1 2 . 1 1 37 37 ASN H H 31 9.976 9.976 8.214 1.762 17903 240 1 2 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.718 0.042 17903 241 1 2 . 1 1 38 38 LEU H H 32 9.635 9.635 8.259 1.375 17903 242 1 2 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.651 -0.366 17903 243 1 2 . 1 1 39 39 HIS H H 33 7.334 7.334 8.688 -1.354 17903 244 1 2 . 1 1 40 40 GLY H H 34 9.079 9.079 8.738 0.341 17903 245 1 2 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.912 -0.308 17903 246 1 2 . 1 1 41 41 ILE H H 35 7.151 7.151 7.871 -0.720 17903 247 1 2 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.223 -0.079 17903 248 1 2 . 1 1 42 42 PHE H H 36 7.787 7.787 8.559 -0.772 17903 249 1 2 . 1 1 43 43 GLY H H 37 8.679 8.679 7.702 0.977 17903 250 1 2 . 1 1 44 44 ARG H H 38 7.793 7.793 8.115 -0.322 17903 251 1 2 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.688 0.412 17903 252 1 2 . 1 1 45 45 HIS H H 39 8.030 8.030 9.413 -1.383 17903 253 1 2 . 1 1 46 46 SER HA H 40 4.374 4.374 4.153 0.221 17903 254 1 2 . 1 1 46 46 SER H H 40 8.708 8.708 7.757 0.951 17903 255 1 2 . 1 1 47 47 GLY H H 41 8.616 8.616 7.856 0.760 17903 256 1 2 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.668 -0.417 17903 257 1 2 . 1 1 48 48 GLN H H 42 7.900 7.900 7.649 0.251 17903 258 1 2 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.759 -0.623 17903 259 1 2 . 1 1 49 49 ALA H H 43 8.191 8.191 8.514 -0.323 17903 260 1 2 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.296 -0.151 17903 261 1 2 . 1 1 50 50 GLU H H 44 8.663 8.663 8.889 -0.226 17903 262 1 2 . 1 1 51 51 GLY H H 45 7.154 7.154 8.448 -1.294 17903 263 1 2 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.570 -0.871 17903 264 1 2 . 1 1 52 52 TYR H H 46 6.933 6.933 8.004 -1.071 17903 265 1 2 . 1 1 53 53 SER HA H 47 4.100 4.100 4.136 -0.036 17903 266 1 2 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.173 -0.062 17903 267 1 2 . 1 1 54 54 TYR H H 48 7.563 7.563 8.326 -0.763 17903 268 1 2 . 1 1 55 55 THR HA H 49 4.265 4.265 4.397 -0.132 17903 269 1 2 . 1 1 55 55 THR H H 49 7.989 7.989 8.778 -0.789 17903 270 1 2 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.271 0.045 17903 271 1 2 . 1 1 56 56 ASP H H 50 8.714 8.714 9.067 -0.353 17903 272 1 2 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.092 0.028 17903 273 1 2 . 1 1 57 57 ALA H H 51 8.127 8.127 8.246 -0.119 17903 274 1 2 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.541 0.118 17903 275 1 2 . 1 1 58 58 ASN H H 52 8.407 8.407 8.263 0.144 17903 276 1 2 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.794 -0.097 17903 277 1 2 . 1 1 59 59 ILE H H 53 7.643 7.643 8.546 -0.903 17903 278 1 2 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.083 0.023 17903 279 1 2 . 1 1 60 60 LYS H H 54 8.948 8.948 7.607 1.341 17903 280 1 2 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.292 -0.256 17903 281 1 2 . 1 1 61 61 LYS H H 55 7.419 7.419 7.511 -0.092 17903 282 1 2 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.917 -0.616 17903 283 1 2 . 1 1 62 62 ASN H H 56 7.414 7.414 8.505 -1.091 17903 284 1 2 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.974 -0.006 17903 285 1 2 . 1 1 63 63 VAL H H 57 7.776 7.776 8.204 -0.428 17903 286 1 2 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.356 0.426 17903 287 1 2 . 1 1 64 64 LEU H H 58 8.402 8.402 8.015 0.387 17903 288 1 2 . 1 1 65 65 TRP H H 59 7.766 7.766 7.966 -0.200 17903 289 1 2 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.931 -0.159 17903 290 1 2 . 1 1 66 66 ASP H H 60 9.950 9.950 8.335 1.615 17903 291 1 2 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.008 -0.708 17903 292 1 2 . 1 1 67 67 GLU H H 61 10.010 10.010 9.040 0.970 17903 293 1 2 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.554 0.013 17903 294 1 2 . 1 1 68 68 ASN H H 62 8.207 8.207 8.535 -0.328 17903 295 1 2 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.514 -0.051 17903 296 1 2 . 1 1 69 69 ASN H H 63 9.442 9.442 8.359 1.083 17903 297 1 2 . 1 1 70 70 MET HA H 64 4.330 4.330 4.101 0.229 17903 298 1 2 . 1 1 70 70 MET H H 64 8.891 8.891 8.873 0.018 17903 299 1 2 . 1 1 71 71 SER HA H 65 3.572 3.572 4.106 -0.534 17903 300 1 2 . 1 1 71 71 SER H H 65 7.660 7.660 7.834 -0.174 17903 301 1 2 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.132 -0.222 17903 302 1 2 . 1 1 72 72 GLU H H 66 7.657 7.657 7.675 -0.018 17903 303 1 2 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.365 0.031 17903 304 1 2 . 1 1 73 73 TYR H H 67 8.935 8.935 7.511 1.424 17903 305 1 2 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.669 0.083 17903 306 1 2 . 1 1 74 74 LEU H H 68 8.189 8.189 8.189 -0.000 17903 307 1 2 . 1 1 75 75 THR HA H 69 3.851 3.851 3.994 -0.143 17903 308 1 2 . 1 1 75 75 THR H H 69 7.421 7.421 7.516 -0.095 17903 309 1 2 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.802 0.200 17903 310 1 2 . 1 1 76 76 ASN H H 70 6.632 6.632 7.451 -0.819 17903 311 1 2 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.410 6.861 17903 312 1 2 . 1 1 77 77 HIS H H 71 11.262 11.262 8.674 2.588 17903 313 1 2 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.496 1.729 17903 314 1 2 . 1 1 78 78 ALA H H 72 9.567 9.567 7.339 2.228 17903 315 1 2 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.053 0.408 17903 316 1 2 . 1 1 79 79 LYS H H 73 8.017 8.017 8.512 -0.495 17903 317 1 2 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.453 -0.240 17903 318 1 2 . 1 1 80 80 TYR H H 74 8.270 8.270 8.136 0.134 17903 319 1 2 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.268 0.487 17903 320 1 2 . 1 1 81 81 ILE H H 75 9.605 9.605 8.000 1.605 17903 321 1 2 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.419 1.096 17903 322 1 2 . 1 1 83 83 GLY H H 77 9.364 9.364 8.625 0.739 17903 323 1 2 . 1 1 84 84 THR HA H 78 5.970 5.970 4.328 1.642 17903 324 1 2 . 1 1 84 84 THR H H 78 8.938 8.938 7.574 1.364 17903 325 1 2 . 1 1 85 85 LYS H H 79 8.058 8.058 8.629 -0.571 17903 326 1 2 . 1 1 86 86 MET HA H 80 4.582 4.582 4.616 -0.034 17903 327 1 2 . 1 1 86 86 MET H H 80 8.681 8.681 8.271 0.410 17903 328 1 2 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.429 0.733 17903 329 1 2 . 1 1 87 87 ALA H H 81 8.014 8.014 8.524 -0.510 17903 330 1 2 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.658 -0.234 17903 331 1 2 . 1 1 88 88 PHE H H 82 8.708 8.708 7.935 0.773 17903 332 1 2 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.573 -0.581 17903 333 1 2 . 1 1 91 91 LEU H H 85 8.409 8.409 9.035 -0.626 17903 334 1 2 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.060 -0.090 17903 335 1 2 . 1 1 92 92 LYS H H 86 8.165 8.165 7.895 0.270 17903 336 1 2 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.400 -0.075 17903 337 1 2 . 1 1 93 93 LYS H H 87 8.256 8.256 8.200 0.056 17903 338 1 2 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.038 -0.703 17903 339 1 2 . 1 1 94 94 GLU H H 88 8.436 8.436 9.189 -0.753 17903 340 1 2 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.025 -0.185 17903 341 1 2 . 1 1 95 95 LYS H H 89 8.711 8.711 8.442 0.269 17903 342 1 2 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.459 -0.397 17903 343 1 2 . 1 1 96 96 ASP H H 90 6.317 6.317 7.791 -1.474 17903 344 1 2 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.806 -0.390 17903 345 1 2 . 1 1 97 97 ARG H H 91 7.422 7.422 7.614 -0.192 17903 346 1 2 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.594 -0.756 17903 347 1 2 . 1 1 98 98 ASN H H 92 8.486 8.486 8.643 -0.157 17903 348 1 2 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.494 -0.475 17903 349 1 2 . 1 1 99 99 ASP H H 93 8.620 8.620 8.453 0.167 17903 350 1 2 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.041 -0.405 17903 351 1 2 . 1 1 100 100 LEU H H 94 8.189 8.189 8.132 0.057 17903 352 1 2 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.658 -0.832 17903 353 1 2 . 1 1 101 101 ILE H H 95 8.672 8.672 7.630 1.042 17903 354 1 2 . 1 1 102 102 THR HA H 96 3.825 3.825 4.074 -0.249 17903 355 1 2 . 1 1 102 102 THR H H 96 7.928 7.928 8.171 -0.243 17903 356 1 2 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.313 -0.332 17903 357 1 2 . 1 1 103 103 TYR H H 97 7.499 7.499 7.750 -0.251 17903 358 1 2 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.432 -0.493 17903 359 1 2 . 1 1 104 104 LEU H H 98 8.853 8.853 8.797 0.056 17903 360 1 2 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.347 -0.061 17903 361 1 2 . 1 1 105 105 LYS H H 99 8.294 8.294 8.357 -0.063 17903 362 1 2 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.930 0.187 17903 363 1 2 . 1 1 106 106 LYS H H 100 6.365 6.365 7.226 -0.861 17903 364 1 2 . 1 1 107 107 ALA HA H 101 3.883 3.883 4.029 -0.146 17903 365 1 2 . 1 1 107 107 ALA H H 101 8.188 8.188 7.386 0.802 17903 366 1 2 . 1 1 108 108 THR H H 102 6.404 6.404 7.765 -1.361 17903 367 1 3 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.837 -0.559 17903 368 1 3 . 1 1 3 3 PHE H H -3 7.737 7.737 7.921 -0.184 17903 369 1 3 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.456 -0.664 17903 370 1 3 . 1 1 4 4 LYS H H -2 6.597 6.597 8.717 -2.120 17903 371 1 3 . 1 1 8 8 SER HA H 2 3.982 3.982 4.754 -0.772 17903 372 1 3 . 1 1 8 8 SER H H 2 9.365 9.365 8.133 1.232 17903 373 1 3 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.309 -0.193 17903 374 1 3 . 1 1 9 9 ALA H H 3 8.961 8.961 8.875 0.086 17903 375 1 3 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.066 0.259 17903 376 1 3 . 1 1 10 10 LYS H H 4 8.198 8.198 8.434 -0.236 17903 377 1 3 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.116 -0.084 17903 378 1 3 . 1 1 11 11 LYS H H 5 7.710 7.710 7.865 -0.155 17903 379 1 3 . 1 1 12 12 GLY H H 6 8.619 8.619 7.690 0.929 17903 380 1 3 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.369 -1.185 17903 381 1 3 . 1 1 13 13 ALA H H 7 7.907 7.907 7.637 0.270 17903 382 1 3 . 1 1 14 14 THR HA H 8 4.095 4.095 4.001 0.094 17903 383 1 3 . 1 1 14 14 THR H H 8 7.159 7.159 7.289 -0.130 17903 384 1 3 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.227 -0.483 17903 385 1 3 . 1 1 15 15 LEU H H 9 7.867 7.867 7.716 0.151 17903 386 1 3 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.180 -0.402 17903 387 1 3 . 1 1 16 16 PHE H H 10 8.400 8.400 8.483 -0.083 17903 388 1 3 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.160 0.080 17903 389 1 3 . 1 1 17 17 LYS H H 11 8.101 8.101 8.631 -0.530 17903 390 1 3 . 1 1 18 18 THR HA H 12 4.240 4.240 4.438 -0.198 17903 391 1 3 . 1 1 18 18 THR H H 12 7.740 7.740 7.681 0.059 17903 392 1 3 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.425 0.132 17903 393 1 3 . 1 1 19 19 ARG H H 13 8.200 8.200 7.667 0.533 17903 394 1 3 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.358 -2.884 17903 395 1 3 . 1 1 20 20 CYS H H 14 7.743 7.743 8.118 -0.375 17903 396 1 3 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.236 2.008 17903 397 1 3 . 1 1 21 21 LEU H H 15 8.143 8.143 7.695 0.448 17903 398 1 3 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.042 0.790 17903 399 1 3 . 1 1 22 22 GLN H H 16 9.961 9.961 7.785 2.176 17903 400 1 3 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.640 1.021 17903 401 1 3 . 1 1 23 23 CYS H H 17 9.961 9.961 7.570 2.391 17903 402 1 3 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.888 3.635 17903 403 1 3 . 1 1 24 24 HIS H H 18 10.592 10.592 8.460 2.132 17903 404 1 3 . 1 1 25 25 THR HA H 19 6.076 6.076 4.558 1.518 17903 405 1 3 . 1 1 25 25 THR H H 19 10.271 10.271 8.810 1.461 17903 406 1 3 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.092 0.759 17903 407 1 3 . 1 1 26 26 VAL H H 20 9.167 9.167 8.142 1.025 17903 408 1 3 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.231 0.237 17903 409 1 3 . 1 1 27 27 GLU H H 21 9.353 9.353 7.869 1.484 17903 410 1 3 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.668 0.129 17903 411 1 3 . 1 1 28 28 LYS H H 22 9.566 9.566 8.449 1.117 17903 412 1 3 . 1 1 29 29 GLY H H 23 9.546 9.546 8.450 1.096 17903 413 1 3 . 1 1 30 30 GLY H H 24 8.353 8.353 7.467 0.886 17903 414 1 3 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.148 0.409 17903 415 1 3 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.395 0.461 17903 416 1 3 . 1 1 33 33 LYS H H 27 8.395 8.395 8.362 0.033 17903 417 1 3 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.112 -0.797 17903 418 1 3 . 1 1 34 34 VAL H H 28 7.759 7.759 8.336 -0.577 17903 419 1 3 . 1 1 35 35 GLY H H 29 7.665 7.665 7.956 -0.291 17903 420 1 3 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.389 -0.455 17903 421 1 3 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.013 1.147 17903 422 1 3 . 1 1 37 37 ASN H H 31 9.976 9.976 8.529 1.447 17903 423 1 3 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.657 0.103 17903 424 1 3 . 1 1 38 38 LEU H H 32 9.635 9.635 8.430 1.205 17903 425 1 3 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.722 -0.437 17903 426 1 3 . 1 1 39 39 HIS H H 33 7.334 7.334 8.682 -1.348 17903 427 1 3 . 1 1 40 40 GLY H H 34 9.079 9.079 8.878 0.201 17903 428 1 3 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.220 -0.616 17903 429 1 3 . 1 1 41 41 ILE H H 35 7.151 7.151 7.724 -0.573 17903 430 1 3 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.162 -0.018 17903 431 1 3 . 1 1 42 42 PHE H H 36 7.787 7.787 8.708 -0.921 17903 432 1 3 . 1 1 43 43 GLY H H 37 8.679 8.679 7.918 0.761 17903 433 1 3 . 1 1 44 44 ARG H H 38 7.793 7.793 8.189 -0.396 17903 434 1 3 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.736 0.364 17903 435 1 3 . 1 1 45 45 HIS H H 39 8.030 8.030 8.495 -0.465 17903 436 1 3 . 1 1 46 46 SER HA H 40 4.374 4.374 4.151 0.223 17903 437 1 3 . 1 1 46 46 SER H H 40 8.708 8.708 7.849 0.859 17903 438 1 3 . 1 1 47 47 GLY H H 41 8.616 8.616 8.103 0.513 17903 439 1 3 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.638 -0.387 17903 440 1 3 . 1 1 48 48 GLN H H 42 7.900 7.900 7.748 0.152 17903 441 1 3 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.760 -0.624 17903 442 1 3 . 1 1 49 49 ALA H H 43 8.191 8.191 8.504 -0.313 17903 443 1 3 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.214 -0.069 17903 444 1 3 . 1 1 50 50 GLU H H 44 8.663 8.663 8.949 -0.286 17903 445 1 3 . 1 1 51 51 GLY H H 45 7.154 7.154 8.531 -1.377 17903 446 1 3 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.467 -0.768 17903 447 1 3 . 1 1 52 52 TYR H H 46 6.933 6.933 7.912 -0.979 17903 448 1 3 . 1 1 53 53 SER HA H 47 4.100 4.100 4.065 0.035 17903 449 1 3 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.149 -0.038 17903 450 1 3 . 1 1 54 54 TYR H H 48 7.563 7.563 8.170 -0.607 17903 451 1 3 . 1 1 55 55 THR HA H 49 4.265 4.265 4.361 -0.096 17903 452 1 3 . 1 1 55 55 THR H H 49 7.989 7.989 8.164 -0.175 17903 453 1 3 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.220 0.096 17903 454 1 3 . 1 1 56 56 ASP H H 50 8.714 8.714 9.086 -0.372 17903 455 1 3 . 1 1 57 57 ALA HA H 51 4.120 4.120 3.993 0.127 17903 456 1 3 . 1 1 57 57 ALA H H 51 8.127 8.127 8.452 -0.325 17903 457 1 3 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.498 0.161 17903 458 1 3 . 1 1 58 58 ASN H H 52 8.407 8.407 8.297 0.110 17903 459 1 3 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.821 -0.124 17903 460 1 3 . 1 1 59 59 ILE H H 53 7.643 7.643 8.552 -0.909 17903 461 1 3 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.092 0.014 17903 462 1 3 . 1 1 60 60 LYS H H 54 8.948 8.948 8.055 0.893 17903 463 1 3 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.317 -0.281 17903 464 1 3 . 1 1 61 61 LYS H H 55 7.419 7.419 7.695 -0.276 17903 465 1 3 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.905 -0.604 17903 466 1 3 . 1 1 62 62 ASN H H 56 7.414 7.414 8.415 -1.001 17903 467 1 3 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.164 -0.196 17903 468 1 3 . 1 1 63 63 VAL H H 57 7.776 7.776 8.263 -0.487 17903 469 1 3 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.205 0.577 17903 470 1 3 . 1 1 64 64 LEU H H 58 8.402 8.402 8.094 0.308 17903 471 1 3 . 1 1 65 65 TRP H H 59 7.766 7.766 7.821 -0.055 17903 472 1 3 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.882 -0.110 17903 473 1 3 . 1 1 66 66 ASP H H 60 9.950 9.950 8.375 1.575 17903 474 1 3 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.999 -0.699 17903 475 1 3 . 1 1 67 67 GLU H H 61 10.010 10.010 8.984 1.026 17903 476 1 3 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.449 0.118 17903 477 1 3 . 1 1 68 68 ASN H H 62 8.207 8.207 8.754 -0.547 17903 478 1 3 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.466 -0.003 17903 479 1 3 . 1 1 69 69 ASN H H 63 9.442 9.442 8.120 1.322 17903 480 1 3 . 1 1 70 70 MET HA H 64 4.330 4.330 3.841 0.489 17903 481 1 3 . 1 1 70 70 MET H H 64 8.891 8.891 8.757 0.134 17903 482 1 3 . 1 1 71 71 SER HA H 65 3.572 3.572 4.018 -0.446 17903 483 1 3 . 1 1 71 71 SER H H 65 7.660 7.660 7.767 -0.107 17903 484 1 3 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.074 -0.164 17903 485 1 3 . 1 1 72 72 GLU H H 66 7.657 7.657 7.545 0.112 17903 486 1 3 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.225 0.171 17903 487 1 3 . 1 1 73 73 TYR H H 67 8.935 8.935 7.389 1.546 17903 488 1 3 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.833 -0.081 17903 489 1 3 . 1 1 74 74 LEU H H 68 8.189 8.189 8.451 -0.262 17903 490 1 3 . 1 1 75 75 THR HA H 69 3.851 3.851 3.958 -0.107 17903 491 1 3 . 1 1 75 75 THR H H 69 7.421 7.421 7.562 -0.141 17903 492 1 3 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.839 0.163 17903 493 1 3 . 1 1 76 76 ASN H H 70 6.632 6.632 7.821 -1.189 17903 494 1 3 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.225 6.046 17903 495 1 3 . 1 1 77 77 HIS H H 71 11.262 11.262 8.617 2.645 17903 496 1 3 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.555 1.670 17903 497 1 3 . 1 1 78 78 ALA H H 72 9.567 9.567 7.935 1.632 17903 498 1 3 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.947 0.514 17903 499 1 3 . 1 1 79 79 LYS H H 73 8.017 8.017 8.422 -0.405 17903 500 1 3 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.339 -0.126 17903 501 1 3 . 1 1 80 80 TYR H H 74 8.270 8.270 8.204 0.066 17903 502 1 3 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.575 0.180 17903 503 1 3 . 1 1 81 81 ILE H H 75 9.605 9.605 7.689 1.916 17903 504 1 3 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.448 1.067 17903 505 1 3 . 1 1 83 83 GLY H H 77 9.364 9.364 8.681 0.683 17903 506 1 3 . 1 1 84 84 THR HA H 78 5.970 5.970 4.557 1.413 17903 507 1 3 . 1 1 84 84 THR H H 78 8.938 8.938 7.662 1.276 17903 508 1 3 . 1 1 85 85 LYS H H 79 8.058 8.058 8.604 -0.546 17903 509 1 3 . 1 1 86 86 MET HA H 80 4.582 4.582 4.697 -0.115 17903 510 1 3 . 1 1 86 86 MET H H 80 8.681 8.681 8.192 0.489 17903 511 1 3 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.410 0.752 17903 512 1 3 . 1 1 87 87 ALA H H 81 8.014 8.014 8.616 -0.602 17903 513 1 3 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.716 -0.292 17903 514 1 3 . 1 1 88 88 PHE H H 82 8.708 8.708 7.991 0.717 17903 515 1 3 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.478 -0.486 17903 516 1 3 . 1 1 91 91 LEU H H 85 8.409 8.409 8.979 -0.570 17903 517 1 3 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.075 -0.105 17903 518 1 3 . 1 1 92 92 LYS H H 86 8.165 8.165 7.836 0.329 17903 519 1 3 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.380 -0.055 17903 520 1 3 . 1 1 93 93 LYS H H 87 8.256 8.256 8.161 0.095 17903 521 1 3 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.945 -0.610 17903 522 1 3 . 1 1 94 94 GLU H H 88 8.436 8.436 9.108 -0.672 17903 523 1 3 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.044 -0.204 17903 524 1 3 . 1 1 95 95 LYS H H 89 8.711 8.711 8.353 0.358 17903 525 1 3 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.385 -0.323 17903 526 1 3 . 1 1 96 96 ASP H H 90 6.317 6.317 7.756 -1.439 17903 527 1 3 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.902 -0.486 17903 528 1 3 . 1 1 97 97 ARG H H 91 7.422 7.422 7.598 -0.176 17903 529 1 3 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.589 -0.751 17903 530 1 3 . 1 1 98 98 ASN H H 92 8.486 8.486 8.549 -0.063 17903 531 1 3 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.504 -0.485 17903 532 1 3 . 1 1 99 99 ASP H H 93 8.620 8.620 8.413 0.207 17903 533 1 3 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.001 -0.365 17903 534 1 3 . 1 1 100 100 LEU H H 94 8.189 8.189 8.306 -0.117 17903 535 1 3 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.595 -0.769 17903 536 1 3 . 1 1 101 101 ILE H H 95 8.672 8.672 7.817 0.855 17903 537 1 3 . 1 1 102 102 THR HA H 96 3.825 3.825 3.977 -0.152 17903 538 1 3 . 1 1 102 102 THR H H 96 7.928 7.928 7.996 -0.068 17903 539 1 3 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.236 -0.255 17903 540 1 3 . 1 1 103 103 TYR H H 97 7.499 7.499 7.801 -0.302 17903 541 1 3 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.510 -0.571 17903 542 1 3 . 1 1 104 104 LEU H H 98 8.853 8.853 8.979 -0.126 17903 543 1 3 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.226 0.060 17903 544 1 3 . 1 1 105 105 LYS H H 99 8.294 8.294 8.317 -0.023 17903 545 1 3 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.082 0.035 17903 546 1 3 . 1 1 106 106 LYS H H 100 6.365 6.365 7.235 -0.870 17903 547 1 3 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.933 -0.050 17903 548 1 3 . 1 1 107 107 ALA H H 101 8.188 8.188 7.604 0.584 17903 549 1 3 . 1 1 108 108 THR H H 102 6.404 6.404 7.964 -1.560 17903 550 1 4 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.749 -0.471 17903 551 1 4 . 1 1 3 3 PHE H H -3 7.737 7.737 7.198 0.539 17903 552 1 4 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.416 -0.624 17903 553 1 4 . 1 1 4 4 LYS H H -2 6.597 6.597 8.689 -2.092 17903 554 1 4 . 1 1 8 8 SER HA H 2 3.982 3.982 4.833 -0.851 17903 555 1 4 . 1 1 8 8 SER H H 2 9.365 9.365 8.433 0.932 17903 556 1 4 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.385 -0.269 17903 557 1 4 . 1 1 9 9 ALA H H 3 8.961 8.961 8.832 0.129 17903 558 1 4 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.973 0.352 17903 559 1 4 . 1 1 10 10 LYS H H 4 8.198 8.198 8.554 -0.356 17903 560 1 4 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.114 -0.082 17903 561 1 4 . 1 1 11 11 LYS H H 5 7.710 7.710 7.586 0.124 17903 562 1 4 . 1 1 12 12 GLY H H 6 8.619 8.619 7.643 0.976 17903 563 1 4 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.701 -1.517 17903 564 1 4 . 1 1 13 13 ALA H H 7 7.907 7.907 7.894 0.013 17903 565 1 4 . 1 1 14 14 THR HA H 8 4.095 4.095 4.036 0.059 17903 566 1 4 . 1 1 14 14 THR H H 8 7.159 7.159 7.407 -0.248 17903 567 1 4 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.203 -0.459 17903 568 1 4 . 1 1 15 15 LEU H H 9 7.867 7.867 7.722 0.145 17903 569 1 4 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.092 -0.314 17903 570 1 4 . 1 1 16 16 PHE H H 10 8.400 8.400 8.613 -0.213 17903 571 1 4 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.172 0.068 17903 572 1 4 . 1 1 17 17 LYS H H 11 8.101 8.101 8.472 -0.371 17903 573 1 4 . 1 1 18 18 THR HA H 12 4.240 4.240 4.221 0.019 17903 574 1 4 . 1 1 18 18 THR H H 12 7.740 7.740 7.722 0.018 17903 575 1 4 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.805 -0.248 17903 576 1 4 . 1 1 19 19 ARG H H 13 8.200 8.200 7.427 0.773 17903 577 1 4 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.101 -2.627 17903 578 1 4 . 1 1 20 20 CYS H H 14 7.743 7.743 8.303 -0.560 17903 579 1 4 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.377 1.867 17903 580 1 4 . 1 1 21 21 LEU H H 15 8.143 8.143 7.644 0.499 17903 581 1 4 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.010 0.822 17903 582 1 4 . 1 1 22 22 GLN H H 16 9.961 9.961 7.550 2.411 17903 583 1 4 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.617 1.044 17903 584 1 4 . 1 1 23 23 CYS H H 17 9.961 9.961 7.520 2.441 17903 585 1 4 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.209 3.314 17903 586 1 4 . 1 1 24 24 HIS H H 18 10.592 10.592 8.606 1.986 17903 587 1 4 . 1 1 25 25 THR HA H 19 6.076 6.076 4.892 1.184 17903 588 1 4 . 1 1 25 25 THR H H 19 10.271 10.271 8.324 1.947 17903 589 1 4 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.781 0.070 17903 590 1 4 . 1 1 26 26 VAL H H 20 9.167 9.167 8.136 1.031 17903 591 1 4 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.750 0.718 17903 592 1 4 . 1 1 27 27 GLU H H 21 9.353 9.353 8.431 0.922 17903 593 1 4 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.235 -0.438 17903 594 1 4 . 1 1 28 28 LYS H H 22 9.566 9.566 8.178 1.388 17903 595 1 4 . 1 1 29 29 GLY H H 23 9.546 9.546 8.842 0.704 17903 596 1 4 . 1 1 30 30 GLY H H 24 8.353 8.353 8.100 0.253 17903 597 1 4 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.264 0.293 17903 598 1 4 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.736 0.120 17903 599 1 4 . 1 1 33 33 LYS H H 27 8.395 8.395 8.082 0.313 17903 600 1 4 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.145 -0.830 17903 601 1 4 . 1 1 34 34 VAL H H 28 7.759 7.759 7.705 0.054 17903 602 1 4 . 1 1 35 35 GLY H H 29 7.665 7.665 8.131 -0.466 17903 603 1 4 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.299 -0.365 17903 604 1 4 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.130 1.030 17903 605 1 4 . 1 1 37 37 ASN H H 31 9.976 9.976 8.929 1.047 17903 606 1 4 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.727 0.033 17903 607 1 4 . 1 1 38 38 LEU H H 32 9.635 9.635 8.771 0.864 17903 608 1 4 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.766 -0.481 17903 609 1 4 . 1 1 39 39 HIS H H 33 7.334 7.334 8.627 -1.293 17903 610 1 4 . 1 1 40 40 GLY H H 34 9.079 9.079 9.082 -0.003 17903 611 1 4 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.989 -0.385 17903 612 1 4 . 1 1 41 41 ILE H H 35 7.151 7.151 7.816 -0.665 17903 613 1 4 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.206 -0.062 17903 614 1 4 . 1 1 42 42 PHE H H 36 7.787 7.787 8.684 -0.897 17903 615 1 4 . 1 1 43 43 GLY H H 37 8.679 8.679 7.591 1.088 17903 616 1 4 . 1 1 44 44 ARG H H 38 7.793 7.793 8.172 -0.379 17903 617 1 4 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.646 0.454 17903 618 1 4 . 1 1 45 45 HIS H H 39 8.030 8.030 8.905 -0.875 17903 619 1 4 . 1 1 46 46 SER HA H 40 4.374 4.374 4.227 0.147 17903 620 1 4 . 1 1 46 46 SER H H 40 8.708 8.708 7.785 0.923 17903 621 1 4 . 1 1 47 47 GLY H H 41 8.616 8.616 8.464 0.152 17903 622 1 4 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.639 -0.388 17903 623 1 4 . 1 1 48 48 GLN H H 42 7.900 7.900 7.596 0.304 17903 624 1 4 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.815 -0.679 17903 625 1 4 . 1 1 49 49 ALA H H 43 8.191 8.191 8.572 -0.381 17903 626 1 4 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.243 -0.098 17903 627 1 4 . 1 1 50 50 GLU H H 44 8.663 8.663 8.660 0.003 17903 628 1 4 . 1 1 51 51 GLY H H 45 7.154 7.154 8.537 -1.383 17903 629 1 4 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.558 -0.859 17903 630 1 4 . 1 1 52 52 TYR H H 46 6.933 6.933 8.006 -1.073 17903 631 1 4 . 1 1 53 53 SER HA H 47 4.100 4.100 4.140 -0.040 17903 632 1 4 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.072 0.039 17903 633 1 4 . 1 1 54 54 TYR H H 48 7.563 7.563 8.217 -0.654 17903 634 1 4 . 1 1 55 55 THR HA H 49 4.265 4.265 4.316 -0.051 17903 635 1 4 . 1 1 55 55 THR H H 49 7.989 7.989 8.102 -0.113 17903 636 1 4 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.216 0.100 17903 637 1 4 . 1 1 56 56 ASP H H 50 8.714 8.714 8.998 -0.284 17903 638 1 4 . 1 1 57 57 ALA HA H 51 4.120 4.120 3.969 0.151 17903 639 1 4 . 1 1 57 57 ALA H H 51 8.127 8.127 8.393 -0.266 17903 640 1 4 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.487 0.172 17903 641 1 4 . 1 1 58 58 ASN H H 52 8.407 8.407 8.247 0.160 17903 642 1 4 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.833 -0.136 17903 643 1 4 . 1 1 59 59 ILE H H 53 7.643 7.643 8.393 -0.750 17903 644 1 4 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.055 0.051 17903 645 1 4 . 1 1 60 60 LYS H H 54 8.948 8.948 8.012 0.936 17903 646 1 4 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.352 -0.316 17903 647 1 4 . 1 1 61 61 LYS H H 55 7.419 7.419 7.480 -0.061 17903 648 1 4 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.967 -0.666 17903 649 1 4 . 1 1 62 62 ASN H H 56 7.414 7.414 8.461 -1.047 17903 650 1 4 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.966 0.002 17903 651 1 4 . 1 1 63 63 VAL H H 57 7.776 7.776 8.149 -0.373 17903 652 1 4 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.414 0.368 17903 653 1 4 . 1 1 64 64 LEU H H 58 8.402 8.402 7.984 0.418 17903 654 1 4 . 1 1 65 65 TRP H H 59 7.766 7.766 7.744 0.022 17903 655 1 4 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.938 -0.166 17903 656 1 4 . 1 1 66 66 ASP H H 60 9.950 9.950 8.308 1.642 17903 657 1 4 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.014 -0.714 17903 658 1 4 . 1 1 67 67 GLU H H 61 10.010 10.010 9.115 0.895 17903 659 1 4 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.583 -0.016 17903 660 1 4 . 1 1 68 68 ASN H H 62 8.207 8.207 8.781 -0.574 17903 661 1 4 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.695 -0.232 17903 662 1 4 . 1 1 69 69 ASN H H 63 9.442 9.442 8.405 1.037 17903 663 1 4 . 1 1 70 70 MET HA H 64 4.330 4.330 4.034 0.296 17903 664 1 4 . 1 1 70 70 MET H H 64 8.891 8.891 8.883 0.008 17903 665 1 4 . 1 1 71 71 SER HA H 65 3.572 3.572 4.045 -0.473 17903 666 1 4 . 1 1 71 71 SER H H 65 7.660 7.660 7.747 -0.087 17903 667 1 4 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.103 -0.193 17903 668 1 4 . 1 1 72 72 GLU H H 66 7.657 7.657 7.728 -0.071 17903 669 1 4 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.235 0.161 17903 670 1 4 . 1 1 73 73 TYR H H 67 8.935 8.935 7.673 1.262 17903 671 1 4 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.796 -0.044 17903 672 1 4 . 1 1 74 74 LEU H H 68 8.189 8.189 8.501 -0.312 17903 673 1 4 . 1 1 75 75 THR HA H 69 3.851 3.851 3.894 -0.043 17903 674 1 4 . 1 1 75 75 THR H H 69 7.421 7.421 7.454 -0.033 17903 675 1 4 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.876 0.126 17903 676 1 4 . 1 1 76 76 ASN H H 70 6.632 6.632 7.759 -1.127 17903 677 1 4 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.140 6.131 17903 678 1 4 . 1 1 77 77 HIS H H 71 11.262 11.262 8.465 2.797 17903 679 1 4 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.584 1.641 17903 680 1 4 . 1 1 78 78 ALA H H 72 9.567 9.567 7.941 1.626 17903 681 1 4 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.944 0.517 17903 682 1 4 . 1 1 79 79 LYS H H 73 8.017 8.017 8.285 -0.268 17903 683 1 4 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.338 -0.125 17903 684 1 4 . 1 1 80 80 TYR H H 74 8.270 8.270 8.055 0.215 17903 685 1 4 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.672 0.083 17903 686 1 4 . 1 1 81 81 ILE H H 75 9.605 9.605 7.868 1.737 17903 687 1 4 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.523 0.992 17903 688 1 4 . 1 1 83 83 GLY H H 77 9.364 9.364 8.695 0.669 17903 689 1 4 . 1 1 84 84 THR HA H 78 5.970 5.970 4.566 1.404 17903 690 1 4 . 1 1 84 84 THR H H 78 8.938 8.938 7.624 1.314 17903 691 1 4 . 1 1 85 85 LYS H H 79 8.058 8.058 8.558 -0.500 17903 692 1 4 . 1 1 86 86 MET HA H 80 4.582 4.582 4.665 -0.083 17903 693 1 4 . 1 1 86 86 MET H H 80 8.681 8.681 8.302 0.379 17903 694 1 4 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.378 0.784 17903 695 1 4 . 1 1 87 87 ALA H H 81 8.014 8.014 8.595 -0.581 17903 696 1 4 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.759 -0.335 17903 697 1 4 . 1 1 88 88 PHE H H 82 8.708 8.708 7.945 0.763 17903 698 1 4 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.345 -0.353 17903 699 1 4 . 1 1 91 91 LEU H H 85 8.409 8.409 8.842 -0.433 17903 700 1 4 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.049 -0.079 17903 701 1 4 . 1 1 92 92 LYS H H 86 8.165 8.165 8.034 0.131 17903 702 1 4 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.424 -0.099 17903 703 1 4 . 1 1 93 93 LYS H H 87 8.256 8.256 8.133 0.123 17903 704 1 4 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.984 -0.649 17903 705 1 4 . 1 1 94 94 GLU H H 88 8.436 8.436 9.112 -0.676 17903 706 1 4 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.033 -0.193 17903 707 1 4 . 1 1 95 95 LYS H H 89 8.711 8.711 8.340 0.371 17903 708 1 4 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.475 -0.413 17903 709 1 4 . 1 1 96 96 ASP H H 90 6.317 6.317 7.788 -1.471 17903 710 1 4 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.960 -0.544 17903 711 1 4 . 1 1 97 97 ARG H H 91 7.422 7.422 7.572 -0.150 17903 712 1 4 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.630 -0.792 17903 713 1 4 . 1 1 98 98 ASN H H 92 8.486 8.486 8.492 -0.006 17903 714 1 4 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.492 -0.473 17903 715 1 4 . 1 1 99 99 ASP H H 93 8.620 8.620 8.468 0.152 17903 716 1 4 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.138 -0.502 17903 717 1 4 . 1 1 100 100 LEU H H 94 8.189 8.189 8.338 -0.149 17903 718 1 4 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.693 -0.867 17903 719 1 4 . 1 1 101 101 ILE H H 95 8.672 8.672 8.181 0.491 17903 720 1 4 . 1 1 102 102 THR HA H 96 3.825 3.825 4.027 -0.202 17903 721 1 4 . 1 1 102 102 THR H H 96 7.928 7.928 8.398 -0.470 17903 722 1 4 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.220 -0.239 17903 723 1 4 . 1 1 103 103 TYR H H 97 7.499 7.499 7.705 -0.206 17903 724 1 4 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.604 -0.665 17903 725 1 4 . 1 1 104 104 LEU H H 98 8.853 8.853 7.869 0.984 17903 726 1 4 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.355 -0.069 17903 727 1 4 . 1 1 105 105 LYS H H 99 8.294 8.294 8.584 -0.290 17903 728 1 4 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.947 0.170 17903 729 1 4 . 1 1 106 106 LYS H H 100 6.365 6.365 7.594 -1.229 17903 730 1 4 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.906 -0.023 17903 731 1 4 . 1 1 107 107 ALA H H 101 8.188 8.188 7.708 0.480 17903 732 1 4 . 1 1 108 108 THR H H 102 6.404 6.404 7.828 -1.424 17903 733 1 5 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.832 -0.554 17903 734 1 5 . 1 1 3 3 PHE H H -3 7.737 7.737 7.934 -0.197 17903 735 1 5 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.467 -0.675 17903 736 1 5 . 1 1 4 4 LYS H H -2 6.597 6.597 8.756 -2.159 17903 737 1 5 . 1 1 8 8 SER HA H 2 3.982 3.982 4.846 -0.864 17903 738 1 5 . 1 1 8 8 SER H H 2 9.365 9.365 8.329 1.036 17903 739 1 5 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.199 -0.083 17903 740 1 5 . 1 1 9 9 ALA H H 3 8.961 8.961 8.998 -0.037 17903 741 1 5 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.972 0.353 17903 742 1 5 . 1 1 10 10 LYS H H 4 8.198 8.198 8.621 -0.423 17903 743 1 5 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.148 -0.116 17903 744 1 5 . 1 1 11 11 LYS H H 5 7.710 7.710 7.538 0.172 17903 745 1 5 . 1 1 12 12 GLY H H 6 8.619 8.619 7.729 0.890 17903 746 1 5 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.248 -1.064 17903 747 1 5 . 1 1 13 13 ALA H H 7 7.907 7.907 8.503 -0.596 17903 748 1 5 . 1 1 14 14 THR HA H 8 4.095 4.095 4.026 0.069 17903 749 1 5 . 1 1 14 14 THR H H 8 7.159 7.159 7.531 -0.372 17903 750 1 5 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.125 -0.381 17903 751 1 5 . 1 1 15 15 LEU H H 9 7.867 7.867 7.937 -0.070 17903 752 1 5 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.198 -0.420 17903 753 1 5 . 1 1 16 16 PHE H H 10 8.400 8.400 7.887 0.513 17903 754 1 5 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.167 0.073 17903 755 1 5 . 1 1 17 17 LYS H H 11 8.101 8.101 7.616 0.485 17903 756 1 5 . 1 1 18 18 THR HA H 12 4.240 4.240 4.388 -0.148 17903 757 1 5 . 1 1 18 18 THR H H 12 7.740 7.740 8.244 -0.504 17903 758 1 5 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.554 0.003 17903 759 1 5 . 1 1 19 19 ARG H H 13 8.200 8.200 7.511 0.689 17903 760 1 5 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.286 -2.812 17903 761 1 5 . 1 1 20 20 CYS H H 14 7.743 7.743 7.991 -0.248 17903 762 1 5 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.284 1.960 17903 763 1 5 . 1 1 21 21 LEU H H 15 8.143 8.143 8.180 -0.037 17903 764 1 5 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.015 0.817 17903 765 1 5 . 1 1 22 22 GLN H H 16 9.961 9.961 7.809 2.152 17903 766 1 5 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.669 0.992 17903 767 1 5 . 1 1 23 23 CYS H H 17 9.961 9.961 7.547 2.414 17903 768 1 5 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.959 3.564 17903 769 1 5 . 1 1 24 24 HIS H H 18 10.592 10.592 8.665 1.927 17903 770 1 5 . 1 1 25 25 THR HA H 19 6.076 6.076 4.743 1.333 17903 771 1 5 . 1 1 25 25 THR H H 19 10.271 10.271 8.645 1.626 17903 772 1 5 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.303 0.548 17903 773 1 5 . 1 1 26 26 VAL H H 20 9.167 9.167 8.425 0.742 17903 774 1 5 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.055 0.413 17903 775 1 5 . 1 1 27 27 GLU H H 21 9.353 9.353 7.890 1.463 17903 776 1 5 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.186 -0.389 17903 777 1 5 . 1 1 28 28 LYS H H 22 9.566 9.566 8.132 1.434 17903 778 1 5 . 1 1 29 29 GLY H H 23 9.546 9.546 7.514 2.032 17903 779 1 5 . 1 1 30 30 GLY H H 24 8.353 8.353 7.774 0.579 17903 780 1 5 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.122 0.435 17903 781 1 5 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.431 0.425 17903 782 1 5 . 1 1 33 33 LYS H H 27 8.395 8.395 8.445 -0.050 17903 783 1 5 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.090 -0.775 17903 784 1 5 . 1 1 34 34 VAL H H 28 7.759 7.759 8.082 -0.323 17903 785 1 5 . 1 1 35 35 GLY H H 29 7.665 7.665 7.662 0.003 17903 786 1 5 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.426 -0.492 17903 787 1 5 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.321 0.839 17903 788 1 5 . 1 1 37 37 ASN H H 31 9.976 9.976 8.981 0.995 17903 789 1 5 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.831 -0.071 17903 790 1 5 . 1 1 38 38 LEU H H 32 9.635 9.635 8.028 1.607 17903 791 1 5 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.673 -0.388 17903 792 1 5 . 1 1 39 39 HIS H H 33 7.334 7.334 8.716 -1.382 17903 793 1 5 . 1 1 40 40 GLY H H 34 9.079 9.079 8.707 0.372 17903 794 1 5 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.888 -0.284 17903 795 1 5 . 1 1 41 41 ILE H H 35 7.151 7.151 7.792 -0.641 17903 796 1 5 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.096 0.048 17903 797 1 5 . 1 1 42 42 PHE H H 36 7.787 7.787 8.203 -0.416 17903 798 1 5 . 1 1 43 43 GLY H H 37 8.679 8.679 8.249 0.430 17903 799 1 5 . 1 1 44 44 ARG H H 38 7.793 7.793 7.927 -0.134 17903 800 1 5 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.665 0.435 17903 801 1 5 . 1 1 45 45 HIS H H 39 8.030 8.030 8.524 -0.494 17903 802 1 5 . 1 1 46 46 SER HA H 40 4.374 4.374 4.388 -0.014 17903 803 1 5 . 1 1 46 46 SER H H 40 8.708 8.708 7.733 0.975 17903 804 1 5 . 1 1 47 47 GLY H H 41 8.616 8.616 8.000 0.616 17903 805 1 5 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.647 -0.396 17903 806 1 5 . 1 1 48 48 GLN H H 42 7.900 7.900 7.481 0.419 17903 807 1 5 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.793 -0.657 17903 808 1 5 . 1 1 49 49 ALA H H 43 8.191 8.191 8.474 -0.283 17903 809 1 5 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.319 -0.174 17903 810 1 5 . 1 1 50 50 GLU H H 44 8.663 8.663 8.972 -0.309 17903 811 1 5 . 1 1 51 51 GLY H H 45 7.154 7.154 8.132 -0.978 17903 812 1 5 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.467 -0.768 17903 813 1 5 . 1 1 52 52 TYR H H 46 6.933 6.933 7.849 -0.916 17903 814 1 5 . 1 1 53 53 SER HA H 47 4.100 4.100 4.192 -0.092 17903 815 1 5 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.072 0.039 17903 816 1 5 . 1 1 54 54 TYR H H 48 7.563 7.563 8.261 -0.699 17903 817 1 5 . 1 1 55 55 THR HA H 49 4.265 4.265 4.345 -0.080 17903 818 1 5 . 1 1 55 55 THR H H 49 7.989 7.989 8.106 -0.117 17903 819 1 5 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.222 0.094 17903 820 1 5 . 1 1 56 56 ASP H H 50 8.714 8.714 9.060 -0.346 17903 821 1 5 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.069 0.051 17903 822 1 5 . 1 1 57 57 ALA H H 51 8.127 8.127 8.443 -0.316 17903 823 1 5 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.553 0.106 17903 824 1 5 . 1 1 58 58 ASN H H 52 8.407 8.407 8.258 0.149 17903 825 1 5 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.796 -0.099 17903 826 1 5 . 1 1 59 59 ILE H H 53 7.643 7.643 8.342 -0.699 17903 827 1 5 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.060 0.046 17903 828 1 5 . 1 1 60 60 LYS H H 54 8.948 8.948 7.848 1.100 17903 829 1 5 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.309 -0.273 17903 830 1 5 . 1 1 61 61 LYS H H 55 7.419 7.419 7.584 -0.165 17903 831 1 5 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.731 -0.430 17903 832 1 5 . 1 1 62 62 ASN H H 56 7.414 7.414 8.417 -1.003 17903 833 1 5 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.111 -0.143 17903 834 1 5 . 1 1 63 63 VAL H H 57 7.776 7.776 8.016 -0.240 17903 835 1 5 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.200 0.582 17903 836 1 5 . 1 1 64 64 LEU H H 58 8.402 8.402 7.864 0.538 17903 837 1 5 . 1 1 65 65 TRP H H 59 7.766 7.766 8.351 -0.585 17903 838 1 5 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.742 0.030 17903 839 1 5 . 1 1 66 66 ASP H H 60 9.950 9.950 8.260 1.690 17903 840 1 5 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.011 -0.711 17903 841 1 5 . 1 1 67 67 GLU H H 61 10.010 10.010 9.032 0.978 17903 842 1 5 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.556 0.011 17903 843 1 5 . 1 1 68 68 ASN H H 62 8.207 8.207 8.371 -0.164 17903 844 1 5 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.483 -0.020 17903 845 1 5 . 1 1 69 69 ASN H H 63 9.442 9.442 8.182 1.260 17903 846 1 5 . 1 1 70 70 MET HA H 64 4.330 4.330 3.803 0.527 17903 847 1 5 . 1 1 70 70 MET H H 64 8.891 8.891 8.663 0.228 17903 848 1 5 . 1 1 71 71 SER HA H 65 3.572 3.572 4.019 -0.447 17903 849 1 5 . 1 1 71 71 SER H H 65 7.660 7.660 7.698 -0.038 17903 850 1 5 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.080 -0.170 17903 851 1 5 . 1 1 72 72 GLU H H 66 7.657 7.657 7.702 -0.045 17903 852 1 5 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.354 0.042 17903 853 1 5 . 1 1 73 73 TYR H H 67 8.935 8.935 7.408 1.527 17903 854 1 5 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.816 -0.064 17903 855 1 5 . 1 1 74 74 LEU H H 68 8.189 8.189 7.968 0.221 17903 856 1 5 . 1 1 75 75 THR HA H 69 3.851 3.851 4.040 -0.189 17903 857 1 5 . 1 1 75 75 THR H H 69 7.421 7.421 7.454 -0.033 17903 858 1 5 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.793 0.209 17903 859 1 5 . 1 1 76 76 ASN H H 70 6.632 6.632 7.513 -0.881 17903 860 1 5 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.412 6.859 17903 861 1 5 . 1 1 77 77 HIS H H 71 11.262 11.262 9.081 2.181 17903 862 1 5 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.529 1.696 17903 863 1 5 . 1 1 78 78 ALA H H 72 9.567 9.567 7.674 1.893 17903 864 1 5 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.012 0.449 17903 865 1 5 . 1 1 79 79 LYS H H 73 8.017 8.017 7.662 0.355 17903 866 1 5 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.623 -0.410 17903 867 1 5 . 1 1 80 80 TYR H H 74 8.270 8.270 8.505 -0.235 17903 868 1 5 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.624 0.131 17903 869 1 5 . 1 1 81 81 ILE H H 75 9.605 9.605 7.697 1.908 17903 870 1 5 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.339 1.176 17903 871 1 5 . 1 1 83 83 GLY H H 77 9.364 9.364 8.541 0.823 17903 872 1 5 . 1 1 84 84 THR HA H 78 5.970 5.970 4.328 1.642 17903 873 1 5 . 1 1 84 84 THR H H 78 8.938 8.938 7.863 1.075 17903 874 1 5 . 1 1 85 85 LYS H H 79 8.058 8.058 8.450 -0.392 17903 875 1 5 . 1 1 86 86 MET HA H 80 4.582 4.582 4.567 0.015 17903 876 1 5 . 1 1 86 86 MET H H 80 8.681 8.681 8.520 0.161 17903 877 1 5 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.465 0.697 17903 878 1 5 . 1 1 87 87 ALA H H 81 8.014 8.014 8.493 -0.479 17903 879 1 5 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.627 -0.203 17903 880 1 5 . 1 1 88 88 PHE H H 82 8.708 8.708 7.481 1.227 17903 881 1 5 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.476 -0.484 17903 882 1 5 . 1 1 91 91 LEU H H 85 8.409 8.409 8.592 -0.183 17903 883 1 5 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.073 -0.103 17903 884 1 5 . 1 1 92 92 LYS H H 86 8.165 8.165 8.221 -0.056 17903 885 1 5 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.180 0.145 17903 886 1 5 . 1 1 93 93 LYS H H 87 8.256 8.256 7.738 0.518 17903 887 1 5 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.080 -0.745 17903 888 1 5 . 1 1 94 94 GLU H H 88 8.436 8.436 9.069 -0.633 17903 889 1 5 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.064 -0.224 17903 890 1 5 . 1 1 95 95 LYS H H 89 8.711 8.711 8.426 0.285 17903 891 1 5 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.451 -0.389 17903 892 1 5 . 1 1 96 96 ASP H H 90 6.317 6.317 7.789 -1.472 17903 893 1 5 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.923 -0.507 17903 894 1 5 . 1 1 97 97 ARG H H 91 7.422 7.422 7.910 -0.488 17903 895 1 5 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.652 -0.814 17903 896 1 5 . 1 1 98 98 ASN H H 92 8.486 8.486 8.537 -0.051 17903 897 1 5 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.484 -0.465 17903 898 1 5 . 1 1 99 99 ASP H H 93 8.620 8.620 8.386 0.234 17903 899 1 5 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.127 -0.491 17903 900 1 5 . 1 1 100 100 LEU H H 94 8.189 8.189 8.436 -0.247 17903 901 1 5 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.638 -0.812 17903 902 1 5 . 1 1 101 101 ILE H H 95 8.672 8.672 7.582 1.090 17903 903 1 5 . 1 1 102 102 THR HA H 96 3.825 3.825 3.963 -0.138 17903 904 1 5 . 1 1 102 102 THR H H 96 7.928 7.928 8.205 -0.277 17903 905 1 5 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.224 -0.243 17903 906 1 5 . 1 1 103 103 TYR H H 97 7.499 7.499 7.741 -0.242 17903 907 1 5 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.464 -0.525 17903 908 1 5 . 1 1 104 104 LEU H H 98 8.853 8.853 7.900 0.953 17903 909 1 5 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.357 -0.071 17903 910 1 5 . 1 1 105 105 LYS H H 99 8.294 8.294 8.437 -0.143 17903 911 1 5 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.924 0.193 17903 912 1 5 . 1 1 106 106 LYS H H 100 6.365 6.365 7.294 -0.929 17903 913 1 5 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.934 -0.051 17903 914 1 5 . 1 1 107 107 ALA H H 101 8.188 8.188 7.558 0.630 17903 915 1 5 . 1 1 108 108 THR H H 102 6.404 6.404 7.712 -1.308 17903 916 1 6 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.844 -0.566 17903 917 1 6 . 1 1 3 3 PHE H H -3 7.737 7.737 7.081 0.656 17903 918 1 6 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.303 -0.511 17903 919 1 6 . 1 1 4 4 LYS H H -2 6.597 6.597 8.699 -2.102 17903 920 1 6 . 1 1 8 8 SER HA H 2 3.982 3.982 4.793 -0.811 17903 921 1 6 . 1 1 8 8 SER H H 2 9.365 9.365 8.283 1.082 17903 922 1 6 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.268 -0.152 17903 923 1 6 . 1 1 9 9 ALA H H 3 8.961 8.961 8.916 0.045 17903 924 1 6 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.988 0.337 17903 925 1 6 . 1 1 10 10 LYS H H 4 8.198 8.198 8.590 -0.392 17903 926 1 6 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.135 -0.103 17903 927 1 6 . 1 1 11 11 LYS H H 5 7.710 7.710 7.568 0.142 17903 928 1 6 . 1 1 12 12 GLY H H 6 8.619 8.619 7.726 0.893 17903 929 1 6 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.824 -0.640 17903 930 1 6 . 1 1 13 13 ALA H H 7 7.907 7.907 8.256 -0.349 17903 931 1 6 . 1 1 14 14 THR HA H 8 4.095 4.095 4.033 0.062 17903 932 1 6 . 1 1 14 14 THR H H 8 7.159 7.159 7.501 -0.342 17903 933 1 6 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.075 -0.331 17903 934 1 6 . 1 1 15 15 LEU H H 9 7.867 7.867 8.158 -0.291 17903 935 1 6 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.120 -0.342 17903 936 1 6 . 1 1 16 16 PHE H H 10 8.400 8.400 7.770 0.630 17903 937 1 6 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.090 0.150 17903 938 1 6 . 1 1 17 17 LYS H H 11 8.101 8.101 7.488 0.613 17903 939 1 6 . 1 1 18 18 THR HA H 12 4.240 4.240 4.306 -0.066 17903 940 1 6 . 1 1 18 18 THR H H 12 7.740 7.740 8.157 -0.417 17903 941 1 6 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.574 -0.017 17903 942 1 6 . 1 1 19 19 ARG H H 13 8.200 8.200 7.385 0.815 17903 943 1 6 . 1 1 20 20 CYS HA H 14 1.474 1.474 3.952 -2.478 17903 944 1 6 . 1 1 20 20 CYS H H 14 7.743 7.743 7.611 0.132 17903 945 1 6 . 1 1 21 21 LEU HA H 15 6.244 6.244 3.917 2.327 17903 946 1 6 . 1 1 21 21 LEU H H 15 8.143 8.143 7.822 0.321 17903 947 1 6 . 1 1 22 22 GLN HA H 16 4.832 4.832 3.978 0.854 17903 948 1 6 . 1 1 22 22 GLN H H 16 9.961 9.961 7.683 2.278 17903 949 1 6 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.695 0.966 17903 950 1 6 . 1 1 23 23 CYS H H 17 9.961 9.961 7.606 2.355 17903 951 1 6 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.921 3.602 17903 952 1 6 . 1 1 24 24 HIS H H 18 10.592 10.592 7.423 3.169 17903 953 1 6 . 1 1 25 25 THR HA H 19 6.076 6.076 4.953 1.123 17903 954 1 6 . 1 1 25 25 THR H H 19 10.271 10.271 8.649 1.622 17903 955 1 6 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.979 -0.128 17903 956 1 6 . 1 1 26 26 VAL H H 20 9.167 9.167 8.642 0.525 17903 957 1 6 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.920 0.548 17903 958 1 6 . 1 1 27 27 GLU H H 21 9.353 9.353 7.539 1.814 17903 959 1 6 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.807 -0.010 17903 960 1 6 . 1 1 28 28 LYS H H 22 9.566 9.566 8.362 1.204 17903 961 1 6 . 1 1 29 29 GLY H H 23 9.546 9.546 7.712 1.834 17903 962 1 6 . 1 1 30 30 GLY H H 24 8.353 8.353 7.463 0.890 17903 963 1 6 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.217 0.340 17903 964 1 6 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.798 0.058 17903 965 1 6 . 1 1 33 33 LYS H H 27 8.395 8.395 8.561 -0.166 17903 966 1 6 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.219 -0.904 17903 967 1 6 . 1 1 34 34 VAL H H 28 7.759 7.759 8.028 -0.269 17903 968 1 6 . 1 1 35 35 GLY H H 29 7.665 7.665 8.018 -0.353 17903 969 1 6 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.317 -0.383 17903 970 1 6 . 1 1 37 37 ASN HA H 31 6.160 6.160 4.620 1.540 17903 971 1 6 . 1 1 37 37 ASN H H 31 9.976 9.976 8.245 1.731 17903 972 1 6 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.593 0.167 17903 973 1 6 . 1 1 38 38 LEU H H 32 9.635 9.635 7.658 1.977 17903 974 1 6 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.682 -0.397 17903 975 1 6 . 1 1 39 39 HIS H H 33 7.334 7.334 8.608 -1.274 17903 976 1 6 . 1 1 40 40 GLY H H 34 9.079 9.079 8.687 0.392 17903 977 1 6 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.836 -0.232 17903 978 1 6 . 1 1 41 41 ILE H H 35 7.151 7.151 7.864 -0.713 17903 979 1 6 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.088 0.056 17903 980 1 6 . 1 1 42 42 PHE H H 36 7.787 7.787 8.314 -0.527 17903 981 1 6 . 1 1 43 43 GLY H H 37 8.679 8.679 8.280 0.399 17903 982 1 6 . 1 1 44 44 ARG H H 38 7.793 7.793 8.257 -0.464 17903 983 1 6 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.698 0.402 17903 984 1 6 . 1 1 45 45 HIS H H 39 8.030 8.030 8.890 -0.860 17903 985 1 6 . 1 1 46 46 SER HA H 40 4.374 4.374 4.299 0.075 17903 986 1 6 . 1 1 46 46 SER H H 40 8.708 8.708 7.792 0.916 17903 987 1 6 . 1 1 47 47 GLY H H 41 8.616 8.616 8.041 0.575 17903 988 1 6 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.653 -0.402 17903 989 1 6 . 1 1 48 48 GLN H H 42 7.900 7.900 7.634 0.266 17903 990 1 6 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.774 -0.638 17903 991 1 6 . 1 1 49 49 ALA H H 43 8.191 8.191 8.593 -0.402 17903 992 1 6 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.365 -0.220 17903 993 1 6 . 1 1 50 50 GLU H H 44 8.663 8.663 9.078 -0.415 17903 994 1 6 . 1 1 51 51 GLY H H 45 7.154 7.154 8.543 -1.389 17903 995 1 6 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.571 -0.872 17903 996 1 6 . 1 1 52 52 TYR H H 46 6.933 6.933 7.529 -0.596 17903 997 1 6 . 1 1 53 53 SER HA H 47 4.100 4.100 4.079 0.021 17903 998 1 6 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.085 0.026 17903 999 1 6 . 1 1 54 54 TYR H H 48 7.563 7.563 8.279 -0.716 17903 1000 1 6 . 1 1 55 55 THR HA H 49 4.265 4.265 4.359 -0.094 17903 1001 1 6 . 1 1 55 55 THR H H 49 7.989 7.989 8.106 -0.117 17903 1002 1 6 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.200 0.116 17903 1003 1 6 . 1 1 56 56 ASP H H 50 8.714 8.714 9.136 -0.422 17903 1004 1 6 . 1 1 57 57 ALA HA H 51 4.120 4.120 3.994 0.126 17903 1005 1 6 . 1 1 57 57 ALA H H 51 8.127 8.127 8.518 -0.391 17903 1006 1 6 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.483 0.176 17903 1007 1 6 . 1 1 58 58 ASN H H 52 8.407 8.407 8.306 0.101 17903 1008 1 6 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.794 -0.097 17903 1009 1 6 . 1 1 59 59 ILE H H 53 7.643 7.643 8.327 -0.684 17903 1010 1 6 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.021 0.085 17903 1011 1 6 . 1 1 60 60 LYS H H 54 8.948 8.948 7.958 0.990 17903 1012 1 6 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.332 -0.296 17903 1013 1 6 . 1 1 61 61 LYS H H 55 7.419 7.419 7.575 -0.156 17903 1014 1 6 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.935 -0.634 17903 1015 1 6 . 1 1 62 62 ASN H H 56 7.414 7.414 8.492 -1.078 17903 1016 1 6 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.044 -0.076 17903 1017 1 6 . 1 1 63 63 VAL H H 57 7.776 7.776 8.237 -0.461 17903 1018 1 6 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.457 0.325 17903 1019 1 6 . 1 1 64 64 LEU H H 58 8.402 8.402 8.039 0.363 17903 1020 1 6 . 1 1 65 65 TRP H H 59 7.766 7.766 8.243 -0.477 17903 1021 1 6 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.771 0.001 17903 1022 1 6 . 1 1 66 66 ASP H H 60 9.950 9.950 8.289 1.661 17903 1023 1 6 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.996 -0.696 17903 1024 1 6 . 1 1 67 67 GLU H H 61 10.010 10.010 9.134 0.876 17903 1025 1 6 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.560 0.007 17903 1026 1 6 . 1 1 68 68 ASN H H 62 8.207 8.207 8.743 -0.536 17903 1027 1 6 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.497 -0.034 17903 1028 1 6 . 1 1 69 69 ASN H H 63 9.442 9.442 8.255 1.187 17903 1029 1 6 . 1 1 70 70 MET HA H 64 4.330 4.330 3.759 0.571 17903 1030 1 6 . 1 1 70 70 MET H H 64 8.891 8.891 8.821 0.070 17903 1031 1 6 . 1 1 71 71 SER HA H 65 3.572 3.572 4.112 -0.540 17903 1032 1 6 . 1 1 71 71 SER H H 65 7.660 7.660 7.767 -0.107 17903 1033 1 6 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.123 -0.213 17903 1034 1 6 . 1 1 72 72 GLU H H 66 7.657 7.657 7.697 -0.040 17903 1035 1 6 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.238 0.158 17903 1036 1 6 . 1 1 73 73 TYR H H 67 8.935 8.935 7.281 1.654 17903 1037 1 6 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.949 -0.197 17903 1038 1 6 . 1 1 74 74 LEU H H 68 8.189 8.189 8.157 0.032 17903 1039 1 6 . 1 1 75 75 THR HA H 69 3.851 3.851 4.006 -0.155 17903 1040 1 6 . 1 1 75 75 THR H H 69 7.421 7.421 7.549 -0.128 17903 1041 1 6 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.903 0.099 17903 1042 1 6 . 1 1 76 76 ASN H H 70 6.632 6.632 7.622 -0.990 17903 1043 1 6 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.300 5.971 17903 1044 1 6 . 1 1 77 77 HIS H H 71 11.262 11.262 8.245 3.017 17903 1045 1 6 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.027 2.198 17903 1046 1 6 . 1 1 78 78 ALA H H 72 9.567 9.567 8.715 0.852 17903 1047 1 6 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.025 0.436 17903 1048 1 6 . 1 1 79 79 LYS H H 73 8.017 8.017 7.954 0.063 17903 1049 1 6 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.289 -0.076 17903 1050 1 6 . 1 1 80 80 TYR H H 74 8.270 8.270 8.248 0.022 17903 1051 1 6 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.532 0.223 17903 1052 1 6 . 1 1 81 81 ILE H H 75 9.605 9.605 7.667 1.938 17903 1053 1 6 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.305 1.210 17903 1054 1 6 . 1 1 83 83 GLY H H 77 9.364 9.364 8.623 0.741 17903 1055 1 6 . 1 1 84 84 THR HA H 78 5.970 5.970 4.514 1.456 17903 1056 1 6 . 1 1 84 84 THR H H 78 8.938 8.938 7.661 1.277 17903 1057 1 6 . 1 1 85 85 LYS H H 79 8.058 8.058 8.532 -0.474 17903 1058 1 6 . 1 1 86 86 MET HA H 80 4.582 4.582 4.819 -0.237 17903 1059 1 6 . 1 1 86 86 MET H H 80 8.681 8.681 8.348 0.333 17903 1060 1 6 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.388 0.774 17903 1061 1 6 . 1 1 87 87 ALA H H 81 8.014 8.014 8.594 -0.580 17903 1062 1 6 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.411 0.013 17903 1063 1 6 . 1 1 88 88 PHE H H 82 8.708 8.708 7.057 1.651 17903 1064 1 6 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.610 -0.618 17903 1065 1 6 . 1 1 91 91 LEU H H 85 8.409 8.409 8.439 -0.030 17903 1066 1 6 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.095 -0.125 17903 1067 1 6 . 1 1 92 92 LYS H H 86 8.165 8.165 8.150 0.015 17903 1068 1 6 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.413 -0.088 17903 1069 1 6 . 1 1 93 93 LYS H H 87 8.256 8.256 8.116 0.140 17903 1070 1 6 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.986 -0.651 17903 1071 1 6 . 1 1 94 94 GLU H H 88 8.436 8.436 9.171 -0.735 17903 1072 1 6 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.008 -0.168 17903 1073 1 6 . 1 1 95 95 LYS H H 89 8.711 8.711 8.371 0.340 17903 1074 1 6 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.405 -0.343 17903 1075 1 6 . 1 1 96 96 ASP H H 90 6.317 6.317 7.759 -1.442 17903 1076 1 6 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.931 -0.515 17903 1077 1 6 . 1 1 97 97 ARG H H 91 7.422 7.422 7.699 -0.277 17903 1078 1 6 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.608 -0.770 17903 1079 1 6 . 1 1 98 98 ASN H H 92 8.486 8.486 8.696 -0.210 17903 1080 1 6 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.488 -0.469 17903 1081 1 6 . 1 1 99 99 ASP H H 93 8.620 8.620 8.406 0.214 17903 1082 1 6 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.031 -0.395 17903 1083 1 6 . 1 1 100 100 LEU H H 94 8.189 8.189 8.241 -0.052 17903 1084 1 6 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.564 -0.738 17903 1085 1 6 . 1 1 101 101 ILE H H 95 8.672 8.672 7.745 0.927 17903 1086 1 6 . 1 1 102 102 THR HA H 96 3.825 3.825 4.123 -0.298 17903 1087 1 6 . 1 1 102 102 THR H H 96 7.928 7.928 8.032 -0.104 17903 1088 1 6 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.321 -0.340 17903 1089 1 6 . 1 1 103 103 TYR H H 97 7.499 7.499 7.825 -0.326 17903 1090 1 6 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.452 -0.513 17903 1091 1 6 . 1 1 104 104 LEU H H 98 8.853 8.853 8.874 -0.021 17903 1092 1 6 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.178 0.108 17903 1093 1 6 . 1 1 105 105 LYS H H 99 8.294 8.294 8.171 0.123 17903 1094 1 6 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.921 0.196 17903 1095 1 6 . 1 1 106 106 LYS H H 100 6.365 6.365 7.223 -0.858 17903 1096 1 6 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.994 -0.111 17903 1097 1 6 . 1 1 107 107 ALA H H 101 8.188 8.188 7.680 0.508 17903 1098 1 6 . 1 1 108 108 THR H H 102 6.404 6.404 7.643 -1.239 17903 1099 1 7 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.883 -0.605 17903 1100 1 7 . 1 1 3 3 PHE H H -3 7.737 7.737 7.742 -0.005 17903 1101 1 7 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.312 -0.520 17903 1102 1 7 . 1 1 4 4 LYS H H -2 6.597 6.597 8.597 -2.000 17903 1103 1 7 . 1 1 8 8 SER HA H 2 3.982 3.982 4.811 -0.829 17903 1104 1 7 . 1 1 8 8 SER H H 2 9.365 9.365 8.271 1.094 17903 1105 1 7 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.201 -0.085 17903 1106 1 7 . 1 1 9 9 ALA H H 3 8.961 8.961 8.869 0.092 17903 1107 1 7 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.063 0.262 17903 1108 1 7 . 1 1 10 10 LYS H H 4 8.198 8.198 8.585 -0.387 17903 1109 1 7 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.100 -0.068 17903 1110 1 7 . 1 1 11 11 LYS H H 5 7.710 7.710 8.207 -0.497 17903 1111 1 7 . 1 1 12 12 GLY H H 6 8.619 8.619 7.858 0.761 17903 1112 1 7 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.356 -1.172 17903 1113 1 7 . 1 1 13 13 ALA H H 7 7.907 7.907 8.410 -0.503 17903 1114 1 7 . 1 1 14 14 THR HA H 8 4.095 4.095 3.998 0.097 17903 1115 1 7 . 1 1 14 14 THR H H 8 7.159 7.159 7.506 -0.347 17903 1116 1 7 . 1 1 15 15 LEU HA H 9 3.744 3.744 3.969 -0.225 17903 1117 1 7 . 1 1 15 15 LEU H H 9 7.867 7.867 7.529 0.338 17903 1118 1 7 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.186 -0.408 17903 1119 1 7 . 1 1 16 16 PHE H H 10 8.400 8.400 7.723 0.677 17903 1120 1 7 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.177 0.063 17903 1121 1 7 . 1 1 17 17 LYS H H 11 8.101 8.101 7.628 0.473 17903 1122 1 7 . 1 1 18 18 THR HA H 12 4.240 4.240 4.329 -0.089 17903 1123 1 7 . 1 1 18 18 THR H H 12 7.740 7.740 8.225 -0.485 17903 1124 1 7 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.424 0.133 17903 1125 1 7 . 1 1 19 19 ARG H H 13 8.200 8.200 7.607 0.593 17903 1126 1 7 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.220 -2.746 17903 1127 1 7 . 1 1 20 20 CYS H H 14 7.743 7.743 7.652 0.091 17903 1128 1 7 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.338 1.906 17903 1129 1 7 . 1 1 21 21 LEU H H 15 8.143 8.143 7.991 0.152 17903 1130 1 7 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.023 0.809 17903 1131 1 7 . 1 1 22 22 GLN H H 16 9.961 9.961 7.733 2.228 17903 1132 1 7 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.702 0.959 17903 1133 1 7 . 1 1 23 23 CYS H H 17 9.961 9.961 7.501 2.460 17903 1134 1 7 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.045 3.478 17903 1135 1 7 . 1 1 24 24 HIS H H 18 10.592 10.592 8.532 2.060 17903 1136 1 7 . 1 1 25 25 THR HA H 19 6.076 6.076 4.717 1.359 17903 1137 1 7 . 1 1 25 25 THR H H 19 10.271 10.271 8.574 1.697 17903 1138 1 7 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.434 0.417 17903 1139 1 7 . 1 1 26 26 VAL H H 20 9.167 9.167 8.514 0.653 17903 1140 1 7 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.201 0.267 17903 1141 1 7 . 1 1 27 27 GLU H H 21 9.353 9.353 7.992 1.361 17903 1142 1 7 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.431 0.366 17903 1143 1 7 . 1 1 28 28 LYS H H 22 9.566 9.566 8.442 1.124 17903 1144 1 7 . 1 1 29 29 GLY H H 23 9.546 9.546 8.532 1.014 17903 1145 1 7 . 1 1 30 30 GLY H H 24 8.353 8.353 7.443 0.910 17903 1146 1 7 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.197 0.360 17903 1147 1 7 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.997 -0.141 17903 1148 1 7 . 1 1 33 33 LYS H H 27 8.395 8.395 8.012 0.383 17903 1149 1 7 . 1 1 34 34 VAL HA H 28 3.315 3.315 3.951 -0.636 17903 1150 1 7 . 1 1 34 34 VAL H H 28 7.759 7.759 8.108 -0.349 17903 1151 1 7 . 1 1 35 35 GLY H H 29 7.665 7.665 7.626 0.039 17903 1152 1 7 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.633 -0.699 17903 1153 1 7 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.393 0.767 17903 1154 1 7 . 1 1 37 37 ASN H H 31 9.976 9.976 9.224 0.752 17903 1155 1 7 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.775 -0.015 17903 1156 1 7 . 1 1 38 38 LEU H H 32 9.635 9.635 9.016 0.619 17903 1157 1 7 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.683 -0.398 17903 1158 1 7 . 1 1 39 39 HIS H H 33 7.334 7.334 8.731 -1.397 17903 1159 1 7 . 1 1 40 40 GLY H H 34 9.079 9.079 8.103 0.976 17903 1160 1 7 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.926 -0.322 17903 1161 1 7 . 1 1 41 41 ILE H H 35 7.151 7.151 7.963 -0.812 17903 1162 1 7 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.183 -0.039 17903 1163 1 7 . 1 1 42 42 PHE H H 36 7.787 7.787 8.220 -0.433 17903 1164 1 7 . 1 1 43 43 GLY H H 37 8.679 8.679 8.195 0.484 17903 1165 1 7 . 1 1 44 44 ARG H H 38 7.793 7.793 7.991 -0.198 17903 1166 1 7 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.719 0.381 17903 1167 1 7 . 1 1 45 45 HIS H H 39 8.030 8.030 8.856 -0.826 17903 1168 1 7 . 1 1 46 46 SER HA H 40 4.374 4.374 4.793 -0.419 17903 1169 1 7 . 1 1 46 46 SER H H 40 8.708 8.708 7.923 0.785 17903 1170 1 7 . 1 1 47 47 GLY H H 41 8.616 8.616 8.942 -0.326 17903 1171 1 7 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.273 -0.022 17903 1172 1 7 . 1 1 48 48 GLN H H 42 7.900 7.900 7.513 0.387 17903 1173 1 7 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.079 0.057 17903 1174 1 7 . 1 1 49 49 ALA H H 43 8.191 8.191 7.212 0.979 17903 1175 1 7 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.101 0.044 17903 1176 1 7 . 1 1 50 50 GLU H H 44 8.663 8.663 8.807 -0.144 17903 1177 1 7 . 1 1 51 51 GLY H H 45 7.154 7.154 8.696 -1.542 17903 1178 1 7 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.504 -0.805 17903 1179 1 7 . 1 1 52 52 TYR H H 46 6.933 6.933 7.628 -0.695 17903 1180 1 7 . 1 1 53 53 SER HA H 47 4.100 4.100 3.909 0.191 17903 1181 1 7 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.066 0.045 17903 1182 1 7 . 1 1 54 54 TYR H H 48 7.563 7.563 7.736 -0.173 17903 1183 1 7 . 1 1 55 55 THR HA H 49 4.265 4.265 4.270 -0.005 17903 1184 1 7 . 1 1 55 55 THR H H 49 7.989 7.989 8.085 -0.096 17903 1185 1 7 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.211 0.105 17903 1186 1 7 . 1 1 56 56 ASP H H 50 8.714 8.714 9.071 -0.357 17903 1187 1 7 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.049 0.071 17903 1188 1 7 . 1 1 57 57 ALA H H 51 8.127 8.127 8.418 -0.291 17903 1189 1 7 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.521 0.138 17903 1190 1 7 . 1 1 58 58 ASN H H 52 8.407 8.407 8.352 0.055 17903 1191 1 7 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.864 -0.167 17903 1192 1 7 . 1 1 59 59 ILE H H 53 7.643 7.643 8.642 -0.999 17903 1193 1 7 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.052 0.054 17903 1194 1 7 . 1 1 60 60 LYS H H 54 8.948 8.948 7.981 0.967 17903 1195 1 7 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.356 -0.320 17903 1196 1 7 . 1 1 61 61 LYS H H 55 7.419 7.419 7.456 -0.037 17903 1197 1 7 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.815 -0.514 17903 1198 1 7 . 1 1 62 62 ASN H H 56 7.414 7.414 8.299 -0.885 17903 1199 1 7 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.002 -0.034 17903 1200 1 7 . 1 1 63 63 VAL H H 57 7.776 7.776 8.206 -0.430 17903 1201 1 7 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.393 0.389 17903 1202 1 7 . 1 1 64 64 LEU H H 58 8.402 8.402 8.013 0.389 17903 1203 1 7 . 1 1 65 65 TRP H H 59 7.766 7.766 8.210 -0.444 17903 1204 1 7 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.796 -0.024 17903 1205 1 7 . 1 1 66 66 ASP H H 60 9.950 9.950 8.290 1.660 17903 1206 1 7 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.981 -0.681 17903 1207 1 7 . 1 1 67 67 GLU H H 61 10.010 10.010 8.854 1.156 17903 1208 1 7 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.579 -0.012 17903 1209 1 7 . 1 1 68 68 ASN H H 62 8.207 8.207 8.607 -0.400 17903 1210 1 7 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.522 -0.059 17903 1211 1 7 . 1 1 69 69 ASN H H 63 9.442 9.442 8.378 1.064 17903 1212 1 7 . 1 1 70 70 MET HA H 64 4.330 4.330 4.033 0.297 17903 1213 1 7 . 1 1 70 70 MET H H 64 8.891 8.891 8.784 0.107 17903 1214 1 7 . 1 1 71 71 SER HA H 65 3.572 3.572 4.116 -0.544 17903 1215 1 7 . 1 1 71 71 SER H H 65 7.660 7.660 7.689 -0.029 17903 1216 1 7 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.089 -0.179 17903 1217 1 7 . 1 1 72 72 GLU H H 66 7.657 7.657 7.595 0.062 17903 1218 1 7 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.312 0.084 17903 1219 1 7 . 1 1 73 73 TYR H H 67 8.935 8.935 8.026 0.909 17903 1220 1 7 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.876 -0.124 17903 1221 1 7 . 1 1 74 74 LEU H H 68 8.189 8.189 7.718 0.471 17903 1222 1 7 . 1 1 75 75 THR HA H 69 3.851 3.851 3.964 -0.113 17903 1223 1 7 . 1 1 75 75 THR H H 69 7.421 7.421 7.549 -0.128 17903 1224 1 7 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.855 0.147 17903 1225 1 7 . 1 1 76 76 ASN H H 70 6.632 6.632 7.380 -0.748 17903 1226 1 7 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.422 6.849 17903 1227 1 7 . 1 1 77 77 HIS H H 71 11.262 11.262 9.099 2.163 17903 1228 1 7 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.208 2.017 17903 1229 1 7 . 1 1 78 78 ALA H H 72 9.567 9.567 7.337 2.230 17903 1230 1 7 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.051 0.410 17903 1231 1 7 . 1 1 79 79 LYS H H 73 8.017 8.017 7.606 0.411 17903 1232 1 7 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.700 -0.487 17903 1233 1 7 . 1 1 80 80 TYR H H 74 8.270 8.270 7.935 0.335 17903 1234 1 7 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.408 0.347 17903 1235 1 7 . 1 1 81 81 ILE H H 75 9.605 9.605 7.241 2.364 17903 1236 1 7 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.286 1.229 17903 1237 1 7 . 1 1 83 83 GLY H H 77 9.364 9.364 8.440 0.924 17903 1238 1 7 . 1 1 84 84 THR HA H 78 5.970 5.970 4.278 1.692 17903 1239 1 7 . 1 1 84 84 THR H H 78 8.938 8.938 7.777 1.161 17903 1240 1 7 . 1 1 85 85 LYS H H 79 8.058 8.058 8.350 -0.292 17903 1241 1 7 . 1 1 86 86 MET HA H 80 4.582 4.582 4.619 -0.037 17903 1242 1 7 . 1 1 86 86 MET H H 80 8.681 8.681 8.319 0.362 17903 1243 1 7 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.452 0.710 17903 1244 1 7 . 1 1 87 87 ALA H H 81 8.014 8.014 8.589 -0.575 17903 1245 1 7 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.508 -0.084 17903 1246 1 7 . 1 1 88 88 PHE H H 82 8.708 8.708 7.096 1.612 17903 1247 1 7 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.624 -0.632 17903 1248 1 7 . 1 1 91 91 LEU H H 85 8.409 8.409 8.405 0.004 17903 1249 1 7 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.096 -0.126 17903 1250 1 7 . 1 1 92 92 LYS H H 86 8.165 8.165 7.846 0.319 17903 1251 1 7 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.247 0.078 17903 1252 1 7 . 1 1 93 93 LYS H H 87 8.256 8.256 8.003 0.253 17903 1253 1 7 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.010 -0.675 17903 1254 1 7 . 1 1 94 94 GLU H H 88 8.436 8.436 9.101 -0.665 17903 1255 1 7 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.028 -0.188 17903 1256 1 7 . 1 1 95 95 LYS H H 89 8.711 8.711 8.324 0.387 17903 1257 1 7 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.439 -0.377 17903 1258 1 7 . 1 1 96 96 ASP H H 90 6.317 6.317 7.993 -1.676 17903 1259 1 7 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.944 -0.528 17903 1260 1 7 . 1 1 97 97 ARG H H 91 7.422 7.422 7.957 -0.535 17903 1261 1 7 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.647 -0.809 17903 1262 1 7 . 1 1 98 98 ASN H H 92 8.486 8.486 8.640 -0.154 17903 1263 1 7 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.532 -0.513 17903 1264 1 7 . 1 1 99 99 ASP H H 93 8.620 8.620 8.542 0.078 17903 1265 1 7 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.143 -0.507 17903 1266 1 7 . 1 1 100 100 LEU H H 94 8.189 8.189 8.425 -0.236 17903 1267 1 7 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.693 -0.867 17903 1268 1 7 . 1 1 101 101 ILE H H 95 8.672 8.672 7.635 1.037 17903 1269 1 7 . 1 1 102 102 THR HA H 96 3.825 3.825 4.175 -0.350 17903 1270 1 7 . 1 1 102 102 THR H H 96 7.928 7.928 8.173 -0.245 17903 1271 1 7 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.280 -0.299 17903 1272 1 7 . 1 1 103 103 TYR H H 97 7.499 7.499 7.641 -0.142 17903 1273 1 7 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.315 -0.376 17903 1274 1 7 . 1 1 104 104 LEU H H 98 8.853 8.853 7.884 0.969 17903 1275 1 7 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.477 -0.191 17903 1276 1 7 . 1 1 105 105 LYS H H 99 8.294 8.294 8.458 -0.164 17903 1277 1 7 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.933 0.184 17903 1278 1 7 . 1 1 106 106 LYS H H 100 6.365 6.365 7.325 -0.960 17903 1279 1 7 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.951 -0.068 17903 1280 1 7 . 1 1 107 107 ALA H H 101 8.188 8.188 7.655 0.533 17903 1281 1 7 . 1 1 108 108 THR H H 102 6.404 6.404 7.841 -1.437 17903 1282 1 8 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.808 -0.530 17903 1283 1 8 . 1 1 3 3 PHE H H -3 7.737 7.737 7.962 -0.225 17903 1284 1 8 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.317 -0.525 17903 1285 1 8 . 1 1 4 4 LYS H H -2 6.597 6.597 8.624 -2.027 17903 1286 1 8 . 1 1 8 8 SER HA H 2 3.982 3.982 4.821 -0.839 17903 1287 1 8 . 1 1 8 8 SER H H 2 9.365 9.365 8.276 1.089 17903 1288 1 8 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.192 -0.076 17903 1289 1 8 . 1 1 9 9 ALA H H 3 8.961 8.961 8.901 0.060 17903 1290 1 8 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.998 0.327 17903 1291 1 8 . 1 1 10 10 LYS H H 4 8.198 8.198 8.551 -0.353 17903 1292 1 8 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.172 -0.140 17903 1293 1 8 . 1 1 11 11 LYS H H 5 7.710 7.710 7.785 -0.075 17903 1294 1 8 . 1 1 12 12 GLY H H 6 8.619 8.619 7.903 0.716 17903 1295 1 8 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.051 -0.867 17903 1296 1 8 . 1 1 13 13 ALA H H 7 7.907 7.907 8.373 -0.466 17903 1297 1 8 . 1 1 14 14 THR HA H 8 4.095 4.095 4.018 0.077 17903 1298 1 8 . 1 1 14 14 THR H H 8 7.159 7.159 7.539 -0.380 17903 1299 1 8 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.142 -0.398 17903 1300 1 8 . 1 1 15 15 LEU H H 9 7.867 7.867 8.281 -0.414 17903 1301 1 8 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.195 -0.417 17903 1302 1 8 . 1 1 16 16 PHE H H 10 8.400 8.400 7.702 0.698 17903 1303 1 8 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.138 0.102 17903 1304 1 8 . 1 1 17 17 LYS H H 11 8.101 8.101 7.578 0.523 17903 1305 1 8 . 1 1 18 18 THR HA H 12 4.240 4.240 4.368 -0.128 17903 1306 1 8 . 1 1 18 18 THR H H 12 7.740 7.740 8.130 -0.390 17903 1307 1 8 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.497 0.060 17903 1308 1 8 . 1 1 19 19 ARG H H 13 8.200 8.200 7.555 0.645 17903 1309 1 8 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.312 -2.838 17903 1310 1 8 . 1 1 20 20 CYS H H 14 7.743 7.743 7.735 0.008 17903 1311 1 8 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.346 1.898 17903 1312 1 8 . 1 1 21 21 LEU H H 15 8.143 8.143 7.785 0.358 17903 1313 1 8 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.120 0.712 17903 1314 1 8 . 1 1 22 22 GLN H H 16 9.961 9.961 7.862 2.099 17903 1315 1 8 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.665 0.996 17903 1316 1 8 . 1 1 23 23 CYS H H 17 9.961 9.961 7.534 2.427 17903 1317 1 8 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.918 3.605 17903 1318 1 8 . 1 1 24 24 HIS H H 18 10.592 10.592 8.680 1.912 17903 1319 1 8 . 1 1 25 25 THR HA H 19 6.076 6.076 4.651 1.425 17903 1320 1 8 . 1 1 25 25 THR H H 19 10.271 10.271 8.431 1.840 17903 1321 1 8 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.669 1.182 17903 1322 1 8 . 1 1 26 26 VAL H H 20 9.167 9.167 8.557 0.610 17903 1323 1 8 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.001 0.467 17903 1324 1 8 . 1 1 27 27 GLU H H 21 9.353 9.353 7.836 1.517 17903 1325 1 8 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.370 -0.573 17903 1326 1 8 . 1 1 28 28 LYS H H 22 9.566 9.566 8.517 1.049 17903 1327 1 8 . 1 1 29 29 GLY H H 23 9.546 9.546 8.812 0.734 17903 1328 1 8 . 1 1 30 30 GLY H H 24 8.353 8.353 7.455 0.898 17903 1329 1 8 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.117 0.440 17903 1330 1 8 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.387 0.469 17903 1331 1 8 . 1 1 33 33 LYS H H 27 8.395 8.395 8.292 0.103 17903 1332 1 8 . 1 1 34 34 VAL HA H 28 3.315 3.315 3.898 -0.583 17903 1333 1 8 . 1 1 34 34 VAL H H 28 7.759 7.759 8.040 -0.281 17903 1334 1 8 . 1 1 35 35 GLY H H 29 7.665 7.665 7.465 0.200 17903 1335 1 8 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.627 -0.693 17903 1336 1 8 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.187 0.973 17903 1337 1 8 . 1 1 37 37 ASN H H 31 9.976 9.976 8.671 1.305 17903 1338 1 8 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.679 0.081 17903 1339 1 8 . 1 1 38 38 LEU H H 32 9.635 9.635 8.471 1.164 17903 1340 1 8 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.173 0.112 17903 1341 1 8 . 1 1 39 39 HIS H H 33 7.334 7.334 8.633 -1.299 17903 1342 1 8 . 1 1 40 40 GLY H H 34 9.079 9.079 8.444 0.635 17903 1343 1 8 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.059 -0.455 17903 1344 1 8 . 1 1 41 41 ILE H H 35 7.151 7.151 8.149 -0.998 17903 1345 1 8 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.268 -0.124 17903 1346 1 8 . 1 1 42 42 PHE H H 36 7.787 7.787 8.451 -0.664 17903 1347 1 8 . 1 1 43 43 GLY H H 37 8.679 8.679 7.436 1.243 17903 1348 1 8 . 1 1 44 44 ARG H H 38 7.793 7.793 8.130 -0.337 17903 1349 1 8 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.638 0.462 17903 1350 1 8 . 1 1 45 45 HIS H H 39 8.030 8.030 8.734 -0.704 17903 1351 1 8 . 1 1 46 46 SER HA H 40 4.374 4.374 4.333 0.041 17903 1352 1 8 . 1 1 46 46 SER H H 40 8.708 8.708 7.655 1.053 17903 1353 1 8 . 1 1 47 47 GLY H H 41 8.616 8.616 7.957 0.659 17903 1354 1 8 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.622 -0.371 17903 1355 1 8 . 1 1 48 48 GLN H H 42 7.900 7.900 7.666 0.234 17903 1356 1 8 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.663 -0.527 17903 1357 1 8 . 1 1 49 49 ALA H H 43 8.191 8.191 8.586 -0.395 17903 1358 1 8 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.026 0.119 17903 1359 1 8 . 1 1 50 50 GLU H H 44 8.663 8.663 8.758 -0.095 17903 1360 1 8 . 1 1 51 51 GLY H H 45 7.154 7.154 8.563 -1.409 17903 1361 1 8 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.344 -0.645 17903 1362 1 8 . 1 1 52 52 TYR H H 46 6.933 6.933 7.312 -0.379 17903 1363 1 8 . 1 1 53 53 SER HA H 47 4.100 4.100 4.189 -0.089 17903 1364 1 8 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.027 0.084 17903 1365 1 8 . 1 1 54 54 TYR H H 48 7.563 7.563 8.316 -0.753 17903 1366 1 8 . 1 1 55 55 THR HA H 49 4.265 4.265 4.322 -0.057 17903 1367 1 8 . 1 1 55 55 THR H H 49 7.989 7.989 8.099 -0.110 17903 1368 1 8 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.233 0.083 17903 1369 1 8 . 1 1 56 56 ASP H H 50 8.714 8.714 9.029 -0.315 17903 1370 1 8 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.064 0.056 17903 1371 1 8 . 1 1 57 57 ALA H H 51 8.127 8.127 8.437 -0.310 17903 1372 1 8 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.511 0.148 17903 1373 1 8 . 1 1 58 58 ASN H H 52 8.407 8.407 8.360 0.047 17903 1374 1 8 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.814 -0.117 17903 1375 1 8 . 1 1 59 59 ILE H H 53 7.643 7.643 8.353 -0.710 17903 1376 1 8 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.052 0.054 17903 1377 1 8 . 1 1 60 60 LYS H H 54 8.948 8.948 7.812 1.136 17903 1378 1 8 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.277 -0.241 17903 1379 1 8 . 1 1 61 61 LYS H H 55 7.419 7.419 7.539 -0.120 17903 1380 1 8 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.737 -0.436 17903 1381 1 8 . 1 1 62 62 ASN H H 56 7.414 7.414 8.407 -0.993 17903 1382 1 8 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.078 -0.110 17903 1383 1 8 . 1 1 63 63 VAL H H 57 7.776 7.776 8.095 -0.319 17903 1384 1 8 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.189 0.593 17903 1385 1 8 . 1 1 64 64 LEU H H 58 8.402 8.402 7.863 0.539 17903 1386 1 8 . 1 1 65 65 TRP H H 59 7.766 7.766 7.984 -0.218 17903 1387 1 8 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.817 -0.045 17903 1388 1 8 . 1 1 66 66 ASP H H 60 9.950 9.950 8.319 1.631 17903 1389 1 8 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.704 -0.404 17903 1390 1 8 . 1 1 67 67 GLU H H 61 10.010 10.010 8.953 1.057 17903 1391 1 8 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.445 0.122 17903 1392 1 8 . 1 1 68 68 ASN H H 62 8.207 8.207 8.517 -0.310 17903 1393 1 8 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.440 0.023 17903 1394 1 8 . 1 1 69 69 ASN H H 63 9.442 9.442 8.089 1.353 17903 1395 1 8 . 1 1 70 70 MET HA H 64 4.330 4.330 3.928 0.402 17903 1396 1 8 . 1 1 70 70 MET H H 64 8.891 8.891 8.683 0.208 17903 1397 1 8 . 1 1 71 71 SER HA H 65 3.572 3.572 4.119 -0.547 17903 1398 1 8 . 1 1 71 71 SER H H 65 7.660 7.660 7.767 -0.107 17903 1399 1 8 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.059 -0.149 17903 1400 1 8 . 1 1 72 72 GLU H H 66 7.657 7.657 7.587 0.070 17903 1401 1 8 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.194 0.202 17903 1402 1 8 . 1 1 73 73 TYR H H 67 8.935 8.935 7.286 1.649 17903 1403 1 8 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.878 -0.126 17903 1404 1 8 . 1 1 74 74 LEU H H 68 8.189 8.189 8.375 -0.186 17903 1405 1 8 . 1 1 75 75 THR HA H 69 3.851 3.851 3.991 -0.140 17903 1406 1 8 . 1 1 75 75 THR H H 69 7.421 7.421 7.552 -0.131 17903 1407 1 8 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.792 0.210 17903 1408 1 8 . 1 1 76 76 ASN H H 70 6.632 6.632 7.769 -1.137 17903 1409 1 8 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.335 5.936 17903 1410 1 8 . 1 1 77 77 HIS H H 71 11.262 11.262 8.611 2.651 17903 1411 1 8 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.523 1.702 17903 1412 1 8 . 1 1 78 78 ALA H H 72 9.567 9.567 7.880 1.687 17903 1413 1 8 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.969 0.492 17903 1414 1 8 . 1 1 79 79 LYS H H 73 8.017 8.017 8.231 -0.214 17903 1415 1 8 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.368 -0.155 17903 1416 1 8 . 1 1 80 80 TYR H H 74 8.270 8.270 8.110 0.160 17903 1417 1 8 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.631 0.124 17903 1418 1 8 . 1 1 81 81 ILE H H 75 9.605 9.605 7.890 1.715 17903 1419 1 8 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.430 1.085 17903 1420 1 8 . 1 1 83 83 GLY H H 77 9.364 9.364 8.478 0.886 17903 1421 1 8 . 1 1 84 84 THR HA H 78 5.970 5.970 4.435 1.535 17903 1422 1 8 . 1 1 84 84 THR H H 78 8.938 8.938 8.036 0.902 17903 1423 1 8 . 1 1 85 85 LYS H H 79 8.058 8.058 8.433 -0.375 17903 1424 1 8 . 1 1 86 86 MET HA H 80 4.582 4.582 4.695 -0.113 17903 1425 1 8 . 1 1 86 86 MET H H 80 8.681 8.681 8.340 0.341 17903 1426 1 8 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.393 0.769 17903 1427 1 8 . 1 1 87 87 ALA H H 81 8.014 8.014 8.606 -0.592 17903 1428 1 8 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.687 -0.263 17903 1429 1 8 . 1 1 88 88 PHE H H 82 8.708 8.708 7.897 0.811 17903 1430 1 8 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.588 -0.596 17903 1431 1 8 . 1 1 91 91 LEU H H 85 8.409 8.409 8.983 -0.574 17903 1432 1 8 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.073 -0.103 17903 1433 1 8 . 1 1 92 92 LYS H H 86 8.165 8.165 8.245 -0.080 17903 1434 1 8 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.225 0.100 17903 1435 1 8 . 1 1 93 93 LYS H H 87 8.256 8.256 7.792 0.464 17903 1436 1 8 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.984 -0.649 17903 1437 1 8 . 1 1 94 94 GLU H H 88 8.436 8.436 9.057 -0.621 17903 1438 1 8 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.998 -0.158 17903 1439 1 8 . 1 1 95 95 LYS H H 89 8.711 8.711 8.342 0.369 17903 1440 1 8 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.443 -0.381 17903 1441 1 8 . 1 1 96 96 ASP H H 90 6.317 6.317 7.942 -1.625 17903 1442 1 8 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.943 -0.527 17903 1443 1 8 . 1 1 97 97 ARG H H 91 7.422 7.422 7.827 -0.405 17903 1444 1 8 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.647 -0.809 17903 1445 1 8 . 1 1 98 98 ASN H H 92 8.486 8.486 8.722 -0.236 17903 1446 1 8 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.514 -0.495 17903 1447 1 8 . 1 1 99 99 ASP H H 93 8.620 8.620 8.239 0.381 17903 1448 1 8 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.057 -0.421 17903 1449 1 8 . 1 1 100 100 LEU H H 94 8.189 8.189 8.435 -0.246 17903 1450 1 8 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.647 -0.821 17903 1451 1 8 . 1 1 101 101 ILE H H 95 8.672 8.672 7.964 0.708 17903 1452 1 8 . 1 1 102 102 THR HA H 96 3.825 3.825 4.199 -0.374 17903 1453 1 8 . 1 1 102 102 THR H H 96 7.928 7.928 8.010 -0.082 17903 1454 1 8 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.314 -0.333 17903 1455 1 8 . 1 1 103 103 TYR H H 97 7.499 7.499 7.836 -0.337 17903 1456 1 8 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.403 -0.464 17903 1457 1 8 . 1 1 104 104 LEU H H 98 8.853 8.853 8.861 -0.008 17903 1458 1 8 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.626 -0.340 17903 1459 1 8 . 1 1 105 105 LYS H H 99 8.294 8.294 8.383 -0.089 17903 1460 1 8 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.937 0.180 17903 1461 1 8 . 1 1 106 106 LYS H H 100 6.365 6.365 7.249 -0.884 17903 1462 1 8 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.998 -0.115 17903 1463 1 8 . 1 1 107 107 ALA H H 101 8.188 8.188 7.460 0.728 17903 1464 1 8 . 1 1 108 108 THR H H 102 6.404 6.404 7.759 -1.355 17903 1465 1 9 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.857 -0.579 17903 1466 1 9 . 1 1 3 3 PHE H H -3 7.737 7.737 8.121 -0.384 17903 1467 1 9 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.278 -0.486 17903 1468 1 9 . 1 1 4 4 LYS H H -2 6.597 6.597 8.584 -1.987 17903 1469 1 9 . 1 1 8 8 SER HA H 2 3.982 3.982 4.800 -0.818 17903 1470 1 9 . 1 1 8 8 SER H H 2 9.365 9.365 8.806 0.559 17903 1471 1 9 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.152 -0.036 17903 1472 1 9 . 1 1 9 9 ALA H H 3 8.961 8.961 8.785 0.176 17903 1473 1 9 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.991 0.334 17903 1474 1 9 . 1 1 10 10 LYS H H 4 8.198 8.198 8.405 -0.207 17903 1475 1 9 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.120 -0.088 17903 1476 1 9 . 1 1 11 11 LYS H H 5 7.710 7.710 7.728 -0.018 17903 1477 1 9 . 1 1 12 12 GLY H H 6 8.619 8.619 7.941 0.678 17903 1478 1 9 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.396 -1.212 17903 1479 1 9 . 1 1 13 13 ALA H H 7 7.907 7.907 8.180 -0.273 17903 1480 1 9 . 1 1 14 14 THR HA H 8 4.095 4.095 4.010 0.085 17903 1481 1 9 . 1 1 14 14 THR H H 8 7.159 7.159 7.570 -0.411 17903 1482 1 9 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.099 -0.355 17903 1483 1 9 . 1 1 15 15 LEU H H 9 7.867 7.867 7.866 0.001 17903 1484 1 9 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.186 -0.408 17903 1485 1 9 . 1 1 16 16 PHE H H 10 8.400 8.400 7.831 0.569 17903 1486 1 9 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.184 0.056 17903 1487 1 9 . 1 1 17 17 LYS H H 11 8.101 8.101 7.636 0.465 17903 1488 1 9 . 1 1 18 18 THR HA H 12 4.240 4.240 4.383 -0.143 17903 1489 1 9 . 1 1 18 18 THR H H 12 7.740 7.740 8.044 -0.304 17903 1490 1 9 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.485 0.072 17903 1491 1 9 . 1 1 19 19 ARG H H 13 8.200 8.200 7.647 0.553 17903 1492 1 9 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.316 -2.842 17903 1493 1 9 . 1 1 20 20 CYS H H 14 7.743 7.743 7.761 -0.018 17903 1494 1 9 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.345 1.899 17903 1495 1 9 . 1 1 21 21 LEU H H 15 8.143 8.143 7.658 0.485 17903 1496 1 9 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.085 0.747 17903 1497 1 9 . 1 1 22 22 GLN H H 16 9.961 9.961 7.762 2.199 17903 1498 1 9 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.679 0.982 17903 1499 1 9 . 1 1 23 23 CYS H H 17 9.961 9.961 7.529 2.432 17903 1500 1 9 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.872 3.651 17903 1501 1 9 . 1 1 24 24 HIS H H 18 10.592 10.592 8.623 1.969 17903 1502 1 9 . 1 1 25 25 THR HA H 19 6.076 6.076 4.693 1.383 17903 1503 1 9 . 1 1 25 25 THR H H 19 10.271 10.271 8.571 1.700 17903 1504 1 9 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.841 1.010 17903 1505 1 9 . 1 1 26 26 VAL H H 20 9.167 9.167 8.384 0.783 17903 1506 1 9 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.028 0.440 17903 1507 1 9 . 1 1 27 27 GLU H H 21 9.353 9.353 7.704 1.649 17903 1508 1 9 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.261 -0.464 17903 1509 1 9 . 1 1 28 28 LYS H H 22 9.566 9.566 8.314 1.252 17903 1510 1 9 . 1 1 29 29 GLY H H 23 9.546 9.546 8.759 0.787 17903 1511 1 9 . 1 1 30 30 GLY H H 24 8.353 8.353 7.853 0.500 17903 1512 1 9 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.149 0.408 17903 1513 1 9 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.398 0.458 17903 1514 1 9 . 1 1 33 33 LYS H H 27 8.395 8.395 8.324 0.071 17903 1515 1 9 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.081 -0.766 17903 1516 1 9 . 1 1 34 34 VAL H H 28 7.759 7.759 8.025 -0.266 17903 1517 1 9 . 1 1 35 35 GLY H H 29 7.665 7.665 7.806 -0.141 17903 1518 1 9 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.472 -0.538 17903 1519 1 9 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.041 1.119 17903 1520 1 9 . 1 1 37 37 ASN H H 31 9.976 9.976 8.351 1.625 17903 1521 1 9 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.606 0.154 17903 1522 1 9 . 1 1 38 38 LEU H H 32 9.635 9.635 7.960 1.675 17903 1523 1 9 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.328 -0.043 17903 1524 1 9 . 1 1 39 39 HIS H H 33 7.334 7.334 8.687 -1.353 17903 1525 1 9 . 1 1 40 40 GLY H H 34 9.079 9.079 8.301 0.778 17903 1526 1 9 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.492 -0.888 17903 1527 1 9 . 1 1 41 41 ILE H H 35 7.151 7.151 7.352 -0.201 17903 1528 1 9 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.155 -0.011 17903 1529 1 9 . 1 1 42 42 PHE H H 36 7.787 7.787 8.138 -0.351 17903 1530 1 9 . 1 1 43 43 GLY H H 37 8.679 8.679 8.072 0.607 17903 1531 1 9 . 1 1 44 44 ARG H H 38 7.793 7.793 7.803 -0.010 17903 1532 1 9 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.633 0.467 17903 1533 1 9 . 1 1 45 45 HIS H H 39 8.030 8.030 8.529 -0.499 17903 1534 1 9 . 1 1 46 46 SER HA H 40 4.374 4.374 4.165 0.209 17903 1535 1 9 . 1 1 46 46 SER H H 40 8.708 8.708 7.839 0.869 17903 1536 1 9 . 1 1 47 47 GLY H H 41 8.616 8.616 8.484 0.132 17903 1537 1 9 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.625 -0.374 17903 1538 1 9 . 1 1 48 48 GLN H H 42 7.900 7.900 7.782 0.118 17903 1539 1 9 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.726 -0.590 17903 1540 1 9 . 1 1 49 49 ALA H H 43 8.191 8.191 8.537 -0.346 17903 1541 1 9 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.169 -0.024 17903 1542 1 9 . 1 1 50 50 GLU H H 44 8.663 8.663 9.002 -0.339 17903 1543 1 9 . 1 1 51 51 GLY H H 45 7.154 7.154 8.688 -1.534 17903 1544 1 9 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.456 -0.757 17903 1545 1 9 . 1 1 52 52 TYR H H 46 6.933 6.933 7.526 -0.593 17903 1546 1 9 . 1 1 53 53 SER HA H 47 4.100 4.100 4.105 -0.005 17903 1547 1 9 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.024 0.087 17903 1548 1 9 . 1 1 54 54 TYR H H 48 7.563 7.563 8.058 -0.495 17903 1549 1 9 . 1 1 55 55 THR HA H 49 4.265 4.265 4.307 -0.042 17903 1550 1 9 . 1 1 55 55 THR H H 49 7.989 7.989 8.204 -0.215 17903 1551 1 9 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.217 0.099 17903 1552 1 9 . 1 1 56 56 ASP H H 50 8.714 8.714 9.046 -0.332 17903 1553 1 9 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.083 0.037 17903 1554 1 9 . 1 1 57 57 ALA H H 51 8.127 8.127 8.281 -0.154 17903 1555 1 9 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.533 0.126 17903 1556 1 9 . 1 1 58 58 ASN H H 52 8.407 8.407 8.260 0.147 17903 1557 1 9 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.843 -0.146 17903 1558 1 9 . 1 1 59 59 ILE H H 53 7.643 7.643 8.638 -0.995 17903 1559 1 9 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.067 0.039 17903 1560 1 9 . 1 1 60 60 LYS H H 54 8.948 8.948 7.909 1.039 17903 1561 1 9 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.361 -0.325 17903 1562 1 9 . 1 1 61 61 LYS H H 55 7.419 7.419 7.443 -0.024 17903 1563 1 9 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.977 -0.676 17903 1564 1 9 . 1 1 62 62 ASN H H 56 7.414 7.414 8.494 -1.080 17903 1565 1 9 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.022 -0.054 17903 1566 1 9 . 1 1 63 63 VAL H H 57 7.776 7.776 8.280 -0.504 17903 1567 1 9 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.503 0.279 17903 1568 1 9 . 1 1 64 64 LEU H H 58 8.402 8.402 8.070 0.332 17903 1569 1 9 . 1 1 65 65 TRP H H 59 7.766 7.766 7.856 -0.090 17903 1570 1 9 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.942 -0.170 17903 1571 1 9 . 1 1 66 66 ASP H H 60 9.950 9.950 8.419 1.531 17903 1572 1 9 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.994 -0.694 17903 1573 1 9 . 1 1 67 67 GLU H H 61 10.010 10.010 9.037 0.973 17903 1574 1 9 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.536 0.031 17903 1575 1 9 . 1 1 68 68 ASN H H 62 8.207 8.207 8.424 -0.217 17903 1576 1 9 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.465 -0.002 17903 1577 1 9 . 1 1 69 69 ASN H H 63 9.442 9.442 8.053 1.389 17903 1578 1 9 . 1 1 70 70 MET HA H 64 4.330 4.330 4.076 0.254 17903 1579 1 9 . 1 1 70 70 MET H H 64 8.891 8.891 8.777 0.114 17903 1580 1 9 . 1 1 71 71 SER HA H 65 3.572 3.572 4.143 -0.571 17903 1581 1 9 . 1 1 71 71 SER H H 65 7.660 7.660 7.873 -0.213 17903 1582 1 9 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.145 -0.235 17903 1583 1 9 . 1 1 72 72 GLU H H 66 7.657 7.657 7.661 -0.004 17903 1584 1 9 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.214 0.182 17903 1585 1 9 . 1 1 73 73 TYR H H 67 8.935 8.935 7.581 1.354 17903 1586 1 9 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.694 0.058 17903 1587 1 9 . 1 1 74 74 LEU H H 68 8.189 8.189 7.900 0.289 17903 1588 1 9 . 1 1 75 75 THR HA H 69 3.851 3.851 3.976 -0.125 17903 1589 1 9 . 1 1 75 75 THR H H 69 7.421 7.421 7.462 -0.041 17903 1590 1 9 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.855 0.147 17903 1591 1 9 . 1 1 76 76 ASN H H 70 6.632 6.632 7.585 -0.953 17903 1592 1 9 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.545 6.726 17903 1593 1 9 . 1 1 77 77 HIS H H 71 11.262 11.262 8.280 2.982 17903 1594 1 9 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.229 1.996 17903 1595 1 9 . 1 1 78 78 ALA H H 72 9.567 9.567 7.269 2.298 17903 1596 1 9 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.928 0.533 17903 1597 1 9 . 1 1 79 79 LYS H H 73 8.017 8.017 7.598 0.419 17903 1598 1 9 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.489 -0.276 17903 1599 1 9 . 1 1 80 80 TYR H H 74 8.270 8.270 8.203 0.067 17903 1600 1 9 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.548 0.207 17903 1601 1 9 . 1 1 81 81 ILE H H 75 9.605 9.605 7.210 2.395 17903 1602 1 9 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.479 1.036 17903 1603 1 9 . 1 1 83 83 GLY H H 77 9.364 9.364 8.764 0.600 17903 1604 1 9 . 1 1 84 84 THR HA H 78 5.970 5.970 4.454 1.516 17903 1605 1 9 . 1 1 84 84 THR H H 78 8.938 8.938 7.789 1.149 17903 1606 1 9 . 1 1 85 85 LYS H H 79 8.058 8.058 8.557 -0.499 17903 1607 1 9 . 1 1 86 86 MET HA H 80 4.582 4.582 4.612 -0.030 17903 1608 1 9 . 1 1 86 86 MET H H 80 8.681 8.681 8.239 0.442 17903 1609 1 9 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.355 0.807 17903 1610 1 9 . 1 1 87 87 ALA H H 81 8.014 8.014 8.692 -0.678 17903 1611 1 9 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.680 -0.256 17903 1612 1 9 . 1 1 88 88 PHE H H 82 8.708 8.708 8.008 0.700 17903 1613 1 9 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.465 -0.473 17903 1614 1 9 . 1 1 91 91 LEU H H 85 8.409 8.409 8.759 -0.350 17903 1615 1 9 . 1 1 92 92 LYS HA H 86 3.970 3.970 3.936 0.034 17903 1616 1 9 . 1 1 92 92 LYS H H 86 8.165 8.165 8.197 -0.032 17903 1617 1 9 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.127 0.198 17903 1618 1 9 . 1 1 93 93 LYS H H 87 8.256 8.256 7.647 0.609 17903 1619 1 9 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.042 -0.707 17903 1620 1 9 . 1 1 94 94 GLU H H 88 8.436 8.436 9.054 -0.618 17903 1621 1 9 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.029 -0.189 17903 1622 1 9 . 1 1 95 95 LYS H H 89 8.711 8.711 8.396 0.315 17903 1623 1 9 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.543 -0.481 17903 1624 1 9 . 1 1 96 96 ASP H H 90 6.317 6.317 7.789 -1.472 17903 1625 1 9 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.848 -0.432 17903 1626 1 9 . 1 1 97 97 ARG H H 91 7.422 7.422 7.793 -0.371 17903 1627 1 9 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.715 -0.877 17903 1628 1 9 . 1 1 98 98 ASN H H 92 8.486 8.486 8.696 -0.210 17903 1629 1 9 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.511 -0.492 17903 1630 1 9 . 1 1 99 99 ASP H H 93 8.620 8.620 7.796 0.824 17903 1631 1 9 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.142 -0.506 17903 1632 1 9 . 1 1 100 100 LEU H H 94 8.189 8.189 8.299 -0.110 17903 1633 1 9 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.683 -0.857 17903 1634 1 9 . 1 1 101 101 ILE H H 95 8.672 8.672 7.890 0.782 17903 1635 1 9 . 1 1 102 102 THR HA H 96 3.825 3.825 4.083 -0.259 17903 1636 1 9 . 1 1 102 102 THR H H 96 7.928 7.928 8.175 -0.247 17903 1637 1 9 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.227 -0.246 17903 1638 1 9 . 1 1 103 103 TYR H H 97 7.499 7.499 7.785 -0.286 17903 1639 1 9 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.472 -0.533 17903 1640 1 9 . 1 1 104 104 LEU H H 98 8.853 8.853 7.713 1.140 17903 1641 1 9 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.327 -0.041 17903 1642 1 9 . 1 1 105 105 LYS H H 99 8.294 8.294 8.550 -0.256 17903 1643 1 9 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.112 0.005 17903 1644 1 9 . 1 1 106 106 LYS H H 100 6.365 6.365 7.297 -0.932 17903 1645 1 9 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.983 -0.100 17903 1646 1 9 . 1 1 107 107 ALA H H 101 8.188 8.188 7.347 0.841 17903 1647 1 9 . 1 1 108 108 THR H H 102 6.404 6.404 7.745 -1.341 17903 1648 1 10 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.579 -0.301 17903 1649 1 10 . 1 1 3 3 PHE H H -3 7.737 7.737 7.890 -0.153 17903 1650 1 10 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.532 -0.740 17903 1651 1 10 . 1 1 4 4 LYS H H -2 6.597 6.597 7.778 -1.181 17903 1652 1 10 . 1 1 8 8 SER HA H 2 3.982 3.982 4.821 -0.839 17903 1653 1 10 . 1 1 8 8 SER H H 2 9.365 9.365 8.853 0.512 17903 1654 1 10 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.118 -0.002 17903 1655 1 10 . 1 1 9 9 ALA H H 3 8.961 8.961 8.732 0.229 17903 1656 1 10 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.964 0.361 17903 1657 1 10 . 1 1 10 10 LYS H H 4 8.198 8.198 8.354 -0.156 17903 1658 1 10 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.143 -0.111 17903 1659 1 10 . 1 1 11 11 LYS H H 5 7.710 7.710 7.562 0.148 17903 1660 1 10 . 1 1 12 12 GLY H H 6 8.619 8.619 7.758 0.861 17903 1661 1 10 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.983 -0.799 17903 1662 1 10 . 1 1 13 13 ALA H H 7 7.907 7.907 8.339 -0.432 17903 1663 1 10 . 1 1 14 14 THR HA H 8 4.095 4.095 4.034 0.061 17903 1664 1 10 . 1 1 14 14 THR H H 8 7.159 7.159 7.493 -0.334 17903 1665 1 10 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.116 -0.372 17903 1666 1 10 . 1 1 15 15 LEU H H 9 7.867 7.867 8.210 -0.343 17903 1667 1 10 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.143 -0.365 17903 1668 1 10 . 1 1 16 16 PHE H H 10 8.400 8.400 8.139 0.261 17903 1669 1 10 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.089 0.151 17903 1670 1 10 . 1 1 17 17 LYS H H 11 8.101 8.101 7.687 0.414 17903 1671 1 10 . 1 1 18 18 THR HA H 12 4.240 4.240 4.351 -0.111 17903 1672 1 10 . 1 1 18 18 THR H H 12 7.740 7.740 7.976 -0.236 17903 1673 1 10 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.313 0.244 17903 1674 1 10 . 1 1 19 19 ARG H H 13 8.200 8.200 7.484 0.716 17903 1675 1 10 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.207 -2.733 17903 1676 1 10 . 1 1 20 20 CYS H H 14 7.743 7.743 7.913 -0.170 17903 1677 1 10 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.148 2.096 17903 1678 1 10 . 1 1 21 21 LEU H H 15 8.143 8.143 7.968 0.175 17903 1679 1 10 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.014 0.818 17903 1680 1 10 . 1 1 22 22 GLN H H 16 9.961 9.961 7.825 2.136 17903 1681 1 10 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.639 1.022 17903 1682 1 10 . 1 1 23 23 CYS H H 17 9.961 9.961 7.477 2.484 17903 1683 1 10 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.837 3.686 17903 1684 1 10 . 1 1 24 24 HIS H H 18 10.592 10.592 8.631 1.961 17903 1685 1 10 . 1 1 25 25 THR HA H 19 6.076 6.076 4.756 1.320 17903 1686 1 10 . 1 1 25 25 THR H H 19 10.271 10.271 8.531 1.740 17903 1687 1 10 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.642 1.209 17903 1688 1 10 . 1 1 26 26 VAL H H 20 9.167 9.167 8.627 0.540 17903 1689 1 10 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.054 0.414 17903 1690 1 10 . 1 1 27 27 GLU H H 21 9.353 9.353 7.935 1.418 17903 1691 1 10 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.276 -0.479 17903 1692 1 10 . 1 1 28 28 LYS H H 22 9.566 9.566 8.721 0.845 17903 1693 1 10 . 1 1 29 29 GLY H H 23 9.546 9.546 7.574 1.972 17903 1694 1 10 . 1 1 30 30 GLY H H 24 8.353 8.353 7.531 0.822 17903 1695 1 10 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.070 0.487 17903 1696 1 10 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.450 0.406 17903 1697 1 10 . 1 1 33 33 LYS H H 27 8.395 8.395 8.168 0.227 17903 1698 1 10 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.147 -0.832 17903 1699 1 10 . 1 1 34 34 VAL H H 28 7.759 7.759 8.304 -0.545 17903 1700 1 10 . 1 1 35 35 GLY H H 29 7.665 7.665 7.784 -0.119 17903 1701 1 10 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.138 -0.204 17903 1702 1 10 . 1 1 37 37 ASN HA H 31 6.160 6.160 4.496 1.664 17903 1703 1 10 . 1 1 37 37 ASN H H 31 9.976 9.976 8.369 1.607 17903 1704 1 10 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.649 0.111 17903 1705 1 10 . 1 1 38 38 LEU H H 32 9.635 9.635 8.606 1.029 17903 1706 1 10 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.225 0.060 17903 1707 1 10 . 1 1 39 39 HIS H H 33 7.334 7.334 8.646 -1.312 17903 1708 1 10 . 1 1 40 40 GLY H H 34 9.079 9.079 8.692 0.387 17903 1709 1 10 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.229 -0.625 17903 1710 1 10 . 1 1 41 41 ILE H H 35 7.151 7.151 7.725 -0.574 17903 1711 1 10 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.204 -0.060 17903 1712 1 10 . 1 1 42 42 PHE H H 36 7.787 7.787 8.004 -0.217 17903 1713 1 10 . 1 1 43 43 GLY H H 37 8.679 8.679 8.141 0.538 17903 1714 1 10 . 1 1 44 44 ARG H H 38 7.793 7.793 7.776 0.017 17903 1715 1 10 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.620 0.480 17903 1716 1 10 . 1 1 45 45 HIS H H 39 8.030 8.030 8.517 -0.487 17903 1717 1 10 . 1 1 46 46 SER HA H 40 4.374 4.374 4.426 -0.052 17903 1718 1 10 . 1 1 46 46 SER H H 40 8.708 8.708 7.615 1.093 17903 1719 1 10 . 1 1 47 47 GLY H H 41 8.616 8.616 8.163 0.453 17903 1720 1 10 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.595 -0.344 17903 1721 1 10 . 1 1 48 48 GLN H H 42 7.900 7.900 7.511 0.389 17903 1722 1 10 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.781 -0.645 17903 1723 1 10 . 1 1 49 49 ALA H H 43 8.191 8.191 8.557 -0.366 17903 1724 1 10 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.229 -0.084 17903 1725 1 10 . 1 1 50 50 GLU H H 44 8.663 8.663 8.989 -0.326 17903 1726 1 10 . 1 1 51 51 GLY H H 45 7.154 7.154 8.727 -1.573 17903 1727 1 10 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.495 -0.796 17903 1728 1 10 . 1 1 52 52 TYR H H 46 6.933 6.933 7.423 -0.490 17903 1729 1 10 . 1 1 53 53 SER HA H 47 4.100 4.100 4.256 -0.156 17903 1730 1 10 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.063 0.048 17903 1731 1 10 . 1 1 54 54 TYR H H 48 7.563 7.563 8.292 -0.729 17903 1732 1 10 . 1 1 55 55 THR HA H 49 4.265 4.265 4.320 -0.055 17903 1733 1 10 . 1 1 55 55 THR H H 49 7.989 7.989 8.080 -0.091 17903 1734 1 10 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.187 0.129 17903 1735 1 10 . 1 1 56 56 ASP H H 50 8.714 8.714 9.077 -0.363 17903 1736 1 10 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.013 0.107 17903 1737 1 10 . 1 1 57 57 ALA H H 51 8.127 8.127 8.473 -0.346 17903 1738 1 10 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.549 0.110 17903 1739 1 10 . 1 1 58 58 ASN H H 52 8.407 8.407 8.420 -0.013 17903 1740 1 10 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.817 -0.120 17903 1741 1 10 . 1 1 59 59 ILE H H 53 7.643 7.643 8.486 -0.843 17903 1742 1 10 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.030 0.076 17903 1743 1 10 . 1 1 60 60 LYS H H 54 8.948 8.948 8.050 0.898 17903 1744 1 10 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.340 -0.304 17903 1745 1 10 . 1 1 61 61 LYS H H 55 7.419 7.419 7.736 -0.317 17903 1746 1 10 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.725 -0.424 17903 1747 1 10 . 1 1 62 62 ASN H H 56 7.414 7.414 8.352 -0.938 17903 1748 1 10 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.097 -0.129 17903 1749 1 10 . 1 1 63 63 VAL H H 57 7.776 7.776 7.964 -0.188 17903 1750 1 10 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.139 0.643 17903 1751 1 10 . 1 1 64 64 LEU H H 58 8.402 8.402 7.819 0.583 17903 1752 1 10 . 1 1 65 65 TRP H H 59 7.766 7.766 8.177 -0.411 17903 1753 1 10 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.706 0.066 17903 1754 1 10 . 1 1 66 66 ASP H H 60 9.950 9.950 8.202 1.748 17903 1755 1 10 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.098 -0.798 17903 1756 1 10 . 1 1 67 67 GLU H H 61 10.010 10.010 8.930 1.080 17903 1757 1 10 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.626 -0.059 17903 1758 1 10 . 1 1 68 68 ASN H H 62 8.207 8.207 8.614 -0.407 17903 1759 1 10 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.428 0.035 17903 1760 1 10 . 1 1 69 69 ASN H H 63 9.442 9.442 8.243 1.199 17903 1761 1 10 . 1 1 70 70 MET HA H 64 4.330 4.330 4.058 0.272 17903 1762 1 10 . 1 1 70 70 MET H H 64 8.891 8.891 8.672 0.219 17903 1763 1 10 . 1 1 71 71 SER HA H 65 3.572 3.572 4.218 -0.646 17903 1764 1 10 . 1 1 71 71 SER H H 65 7.660 7.660 7.905 -0.245 17903 1765 1 10 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.128 -0.218 17903 1766 1 10 . 1 1 72 72 GLU H H 66 7.657 7.657 7.648 0.009 17903 1767 1 10 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.364 0.032 17903 1768 1 10 . 1 1 73 73 TYR H H 67 8.935 8.935 7.447 1.488 17903 1769 1 10 . 1 1 74 74 LEU HA H 68 3.752 3.752 4.030 -0.278 17903 1770 1 10 . 1 1 74 74 LEU H H 68 8.189 8.189 7.785 0.404 17903 1771 1 10 . 1 1 75 75 THR HA H 69 3.851 3.851 4.072 -0.221 17903 1772 1 10 . 1 1 75 75 THR H H 69 7.421 7.421 7.622 -0.201 17903 1773 1 10 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.798 0.204 17903 1774 1 10 . 1 1 76 76 ASN H H 70 6.632 6.632 7.571 -0.939 17903 1775 1 10 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.624 6.647 17903 1776 1 10 . 1 1 77 77 HIS H H 71 11.262 11.262 8.900 2.362 17903 1777 1 10 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.456 1.769 17903 1778 1 10 . 1 1 78 78 ALA H H 72 9.567 9.567 7.514 2.053 17903 1779 1 10 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.998 0.463 17903 1780 1 10 . 1 1 79 79 LYS H H 73 8.017 8.017 7.556 0.461 17903 1781 1 10 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.614 -0.401 17903 1782 1 10 . 1 1 80 80 TYR H H 74 8.270 8.270 8.369 -0.099 17903 1783 1 10 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.612 0.143 17903 1784 1 10 . 1 1 81 81 ILE H H 75 9.605 9.605 7.166 2.439 17903 1785 1 10 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.453 1.062 17903 1786 1 10 . 1 1 83 83 GLY H H 77 9.364 9.364 8.708 0.656 17903 1787 1 10 . 1 1 84 84 THR HA H 78 5.970 5.970 4.463 1.507 17903 1788 1 10 . 1 1 84 84 THR H H 78 8.938 8.938 7.910 1.028 17903 1789 1 10 . 1 1 85 85 LYS H H 79 8.058 8.058 8.520 -0.462 17903 1790 1 10 . 1 1 86 86 MET HA H 80 4.582 4.582 4.701 -0.119 17903 1791 1 10 . 1 1 86 86 MET H H 80 8.681 8.681 8.393 0.288 17903 1792 1 10 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.346 0.816 17903 1793 1 10 . 1 1 87 87 ALA H H 81 8.014 8.014 8.686 -0.672 17903 1794 1 10 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.921 -0.497 17903 1795 1 10 . 1 1 88 88 PHE H H 82 8.708 8.708 8.650 0.058 17903 1796 1 10 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.305 -0.313 17903 1797 1 10 . 1 1 91 91 LEU H H 85 8.409 8.409 8.102 0.307 17903 1798 1 10 . 1 1 92 92 LYS HA H 86 3.970 3.970 3.980 -0.010 17903 1799 1 10 . 1 1 92 92 LYS H H 86 8.165 8.165 7.488 0.677 17903 1800 1 10 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.316 0.009 17903 1801 1 10 . 1 1 93 93 LYS H H 87 8.256 8.256 7.901 0.355 17903 1802 1 10 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.944 -0.609 17903 1803 1 10 . 1 1 94 94 GLU H H 88 8.436 8.436 9.059 -0.623 17903 1804 1 10 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.988 -0.148 17903 1805 1 10 . 1 1 95 95 LYS H H 89 8.711 8.711 8.311 0.400 17903 1806 1 10 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.500 -0.438 17903 1807 1 10 . 1 1 96 96 ASP H H 90 6.317 6.317 7.781 -1.464 17903 1808 1 10 . 1 1 97 97 ARG HA H 91 3.416 3.416 4.062 -0.646 17903 1809 1 10 . 1 1 97 97 ARG H H 91 7.422 7.422 7.524 -0.102 17903 1810 1 10 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.432 -0.594 17903 1811 1 10 . 1 1 98 98 ASN H H 92 8.486 8.486 8.549 -0.063 17903 1812 1 10 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.511 -0.492 17903 1813 1 10 . 1 1 99 99 ASP H H 93 8.620 8.620 8.290 0.330 17903 1814 1 10 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.078 -0.442 17903 1815 1 10 . 1 1 100 100 LEU H H 94 8.189 8.189 8.135 0.054 17903 1816 1 10 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.717 -0.891 17903 1817 1 10 . 1 1 101 101 ILE H H 95 8.672 8.672 7.780 0.892 17903 1818 1 10 . 1 1 102 102 THR HA H 96 3.825 3.825 3.982 -0.157 17903 1819 1 10 . 1 1 102 102 THR H H 96 7.928 7.928 8.198 -0.270 17903 1820 1 10 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.264 -0.283 17903 1821 1 10 . 1 1 103 103 TYR H H 97 7.499 7.499 7.862 -0.363 17903 1822 1 10 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.445 -0.506 17903 1823 1 10 . 1 1 104 104 LEU H H 98 8.853 8.853 9.040 -0.187 17903 1824 1 10 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.489 -0.203 17903 1825 1 10 . 1 1 105 105 LYS H H 99 8.294 8.294 8.276 0.018 17903 1826 1 10 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.903 0.214 17903 1827 1 10 . 1 1 106 106 LYS H H 100 6.365 6.365 7.235 -0.870 17903 1828 1 10 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.913 -0.030 17903 1829 1 10 . 1 1 107 107 ALA H H 101 8.188 8.188 7.669 0.519 17903 1830 1 10 . 1 1 108 108 THR H H 102 6.404 6.404 7.976 -1.572 17903 1831 1 11 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.513 -0.235 17903 1832 1 11 . 1 1 3 3 PHE H H -3 7.737 7.737 8.801 -1.064 17903 1833 1 11 . 1 1 4 4 LYS HA H -2 3.792 3.792 3.672 0.120 17903 1834 1 11 . 1 1 4 4 LYS H H -2 6.597 6.597 7.127 -0.530 17903 1835 1 11 . 1 1 8 8 SER HA H 2 3.982 3.982 4.833 -0.851 17903 1836 1 11 . 1 1 8 8 SER H H 2 9.365 9.365 8.765 0.600 17903 1837 1 11 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.176 -0.060 17903 1838 1 11 . 1 1 9 9 ALA H H 3 8.961 8.961 8.783 0.178 17903 1839 1 11 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.946 0.379 17903 1840 1 11 . 1 1 10 10 LYS H H 4 8.198 8.198 8.357 -0.159 17903 1841 1 11 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.169 -0.137 17903 1842 1 11 . 1 1 11 11 LYS H H 5 7.710 7.710 7.642 0.068 17903 1843 1 11 . 1 1 12 12 GLY H H 6 8.619 8.619 7.828 0.791 17903 1844 1 11 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.992 -0.808 17903 1845 1 11 . 1 1 13 13 ALA H H 7 7.907 7.907 8.586 -0.679 17903 1846 1 11 . 1 1 14 14 THR HA H 8 4.095 4.095 4.053 0.042 17903 1847 1 11 . 1 1 14 14 THR H H 8 7.159 7.159 7.486 -0.327 17903 1848 1 11 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.096 -0.352 17903 1849 1 11 . 1 1 15 15 LEU H H 9 7.867 7.867 8.146 -0.279 17903 1850 1 11 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.227 -0.449 17903 1851 1 11 . 1 1 16 16 PHE H H 10 8.400 8.400 7.853 0.547 17903 1852 1 11 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.137 0.103 17903 1853 1 11 . 1 1 17 17 LYS H H 11 8.101 8.101 7.551 0.550 17903 1854 1 11 . 1 1 18 18 THR HA H 12 4.240 4.240 4.378 -0.138 17903 1855 1 11 . 1 1 18 18 THR H H 12 7.740 7.740 8.331 -0.591 17903 1856 1 11 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.557 -0.000 17903 1857 1 11 . 1 1 19 19 ARG H H 13 8.200 8.200 7.549 0.651 17903 1858 1 11 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.356 -2.882 17903 1859 1 11 . 1 1 20 20 CYS H H 14 7.743 7.743 7.723 0.020 17903 1860 1 11 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.260 1.984 17903 1861 1 11 . 1 1 21 21 LEU H H 15 8.143 8.143 7.887 0.256 17903 1862 1 11 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.025 0.807 17903 1863 1 11 . 1 1 22 22 GLN H H 16 9.961 9.961 7.747 2.214 17903 1864 1 11 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.664 0.997 17903 1865 1 11 . 1 1 23 23 CYS H H 17 9.961 9.961 7.468 2.493 17903 1866 1 11 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.170 3.353 17903 1867 1 11 . 1 1 24 24 HIS H H 18 10.592 10.592 8.530 2.062 17903 1868 1 11 . 1 1 25 25 THR HA H 19 6.076 6.076 4.699 1.377 17903 1869 1 11 . 1 1 25 25 THR H H 19 10.271 10.271 8.484 1.787 17903 1870 1 11 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.714 1.137 17903 1871 1 11 . 1 1 26 26 VAL H H 20 9.167 9.167 8.575 0.592 17903 1872 1 11 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.023 0.445 17903 1873 1 11 . 1 1 27 27 GLU H H 21 9.353 9.353 7.936 1.417 17903 1874 1 11 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.345 -0.548 17903 1875 1 11 . 1 1 28 28 LYS H H 22 9.566 9.566 8.766 0.800 17903 1876 1 11 . 1 1 29 29 GLY H H 23 9.546 9.546 7.773 1.773 17903 1877 1 11 . 1 1 30 30 GLY H H 24 8.353 8.353 7.824 0.529 17903 1878 1 11 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.268 0.289 17903 1879 1 11 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.847 0.009 17903 1880 1 11 . 1 1 33 33 LYS H H 27 8.395 8.395 7.480 0.915 17903 1881 1 11 . 1 1 34 34 VAL HA H 28 3.315 3.315 3.863 -0.548 17903 1882 1 11 . 1 1 34 34 VAL H H 28 7.759 7.759 8.200 -0.441 17903 1883 1 11 . 1 1 35 35 GLY H H 29 7.665 7.665 7.473 0.192 17903 1884 1 11 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.511 -0.578 17903 1885 1 11 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.070 1.090 17903 1886 1 11 . 1 1 37 37 ASN H H 31 9.976 9.976 8.878 1.098 17903 1887 1 11 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.603 0.157 17903 1888 1 11 . 1 1 38 38 LEU H H 32 9.635 9.635 8.573 1.062 17903 1889 1 11 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.220 0.065 17903 1890 1 11 . 1 1 39 39 HIS H H 33 7.334 7.334 8.644 -1.310 17903 1891 1 11 . 1 1 40 40 GLY H H 34 9.079 9.079 8.642 0.437 17903 1892 1 11 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.215 -0.611 17903 1893 1 11 . 1 1 41 41 ILE H H 35 7.151 7.151 7.755 -0.604 17903 1894 1 11 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.316 -0.172 17903 1895 1 11 . 1 1 42 42 PHE H H 36 7.787 7.787 8.525 -0.738 17903 1896 1 11 . 1 1 43 43 GLY H H 37 8.679 8.679 7.591 1.088 17903 1897 1 11 . 1 1 44 44 ARG H H 38 7.793 7.793 7.980 -0.187 17903 1898 1 11 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.649 0.451 17903 1899 1 11 . 1 1 45 45 HIS H H 39 8.030 8.030 8.798 -0.768 17903 1900 1 11 . 1 1 46 46 SER HA H 40 4.374 4.374 4.411 -0.037 17903 1901 1 11 . 1 1 46 46 SER H H 40 8.708 8.708 7.701 1.007 17903 1902 1 11 . 1 1 47 47 GLY H H 41 8.616 8.616 8.235 0.381 17903 1903 1 11 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.666 -0.415 17903 1904 1 11 . 1 1 48 48 GLN H H 42 7.900 7.900 7.557 0.343 17903 1905 1 11 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.712 -0.576 17903 1906 1 11 . 1 1 49 49 ALA H H 43 8.191 8.191 8.541 -0.350 17903 1907 1 11 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.429 -0.284 17903 1908 1 11 . 1 1 50 50 GLU H H 44 8.663 8.663 9.087 -0.424 17903 1909 1 11 . 1 1 51 51 GLY H H 45 7.154 7.154 8.507 -1.353 17903 1910 1 11 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.443 -0.744 17903 1911 1 11 . 1 1 52 52 TYR H H 46 6.933 6.933 7.599 -0.666 17903 1912 1 11 . 1 1 53 53 SER HA H 47 4.100 4.100 4.182 -0.082 17903 1913 1 11 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.005 0.106 17903 1914 1 11 . 1 1 54 54 TYR H H 48 7.563 7.563 8.264 -0.701 17903 1915 1 11 . 1 1 55 55 THR HA H 49 4.265 4.265 4.336 -0.071 17903 1916 1 11 . 1 1 55 55 THR H H 49 7.989 7.989 8.122 -0.133 17903 1917 1 11 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.195 0.121 17903 1918 1 11 . 1 1 56 56 ASP H H 50 8.714 8.714 9.041 -0.327 17903 1919 1 11 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.051 0.069 17903 1920 1 11 . 1 1 57 57 ALA H H 51 8.127 8.127 8.477 -0.350 17903 1921 1 11 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.594 0.065 17903 1922 1 11 . 1 1 58 58 ASN H H 52 8.407 8.407 8.390 0.017 17903 1923 1 11 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.814 -0.117 17903 1924 1 11 . 1 1 59 59 ILE H H 53 7.643 7.643 8.475 -0.832 17903 1925 1 11 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.024 0.082 17903 1926 1 11 . 1 1 60 60 LYS H H 54 8.948 8.948 7.925 1.023 17903 1927 1 11 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.311 -0.275 17903 1928 1 11 . 1 1 61 61 LYS H H 55 7.419 7.419 7.642 -0.223 17903 1929 1 11 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.704 -0.403 17903 1930 1 11 . 1 1 62 62 ASN H H 56 7.414 7.414 8.348 -0.934 17903 1931 1 11 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.097 -0.129 17903 1932 1 11 . 1 1 63 63 VAL H H 57 7.776 7.776 8.037 -0.261 17903 1933 1 11 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.172 0.610 17903 1934 1 11 . 1 1 64 64 LEU H H 58 8.402 8.402 7.897 0.505 17903 1935 1 11 . 1 1 65 65 TRP H H 59 7.766 7.766 7.812 -0.046 17903 1936 1 11 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.834 -0.062 17903 1937 1 11 . 1 1 66 66 ASP H H 60 9.950 9.950 8.292 1.658 17903 1938 1 11 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.694 -0.394 17903 1939 1 11 . 1 1 67 67 GLU H H 61 10.010 10.010 8.894 1.116 17903 1940 1 11 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.703 -0.136 17903 1941 1 11 . 1 1 68 68 ASN H H 62 8.207 8.207 8.578 -0.371 17903 1942 1 11 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.464 -0.001 17903 1943 1 11 . 1 1 69 69 ASN H H 63 9.442 9.442 8.380 1.062 17903 1944 1 11 . 1 1 70 70 MET HA H 64 4.330 4.330 3.781 0.549 17903 1945 1 11 . 1 1 70 70 MET H H 64 8.891 8.891 8.720 0.171 17903 1946 1 11 . 1 1 71 71 SER HA H 65 3.572 3.572 4.004 -0.432 17903 1947 1 11 . 1 1 71 71 SER H H 65 7.660 7.660 7.733 -0.073 17903 1948 1 11 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.072 -0.162 17903 1949 1 11 . 1 1 72 72 GLU H H 66 7.657 7.657 7.661 -0.004 17903 1950 1 11 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.283 0.113 17903 1951 1 11 . 1 1 73 73 TYR H H 67 8.935 8.935 7.319 1.617 17903 1952 1 11 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.804 -0.052 17903 1953 1 11 . 1 1 74 74 LEU H H 68 8.189 8.189 8.177 0.012 17903 1954 1 11 . 1 1 75 75 THR HA H 69 3.851 3.851 4.002 -0.151 17903 1955 1 11 . 1 1 75 75 THR H H 69 7.421 7.421 7.435 -0.014 17903 1956 1 11 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.902 0.100 17903 1957 1 11 . 1 1 76 76 ASN H H 70 6.632 6.632 7.575 -0.943 17903 1958 1 11 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.644 6.627 17903 1959 1 11 . 1 1 77 77 HIS H H 71 11.262 11.262 8.865 2.397 17903 1960 1 11 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.477 1.748 17903 1961 1 11 . 1 1 78 78 ALA H H 72 9.567 9.567 7.446 2.121 17903 1962 1 11 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.015 0.446 17903 1963 1 11 . 1 1 79 79 LYS H H 73 8.017 8.017 7.597 0.420 17903 1964 1 11 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.581 -0.368 17903 1965 1 11 . 1 1 80 80 TYR H H 74 8.270 8.270 8.355 -0.085 17903 1966 1 11 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.641 0.114 17903 1967 1 11 . 1 1 81 81 ILE H H 75 9.605 9.605 7.810 1.795 17903 1968 1 11 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.335 1.180 17903 1969 1 11 . 1 1 83 83 GLY H H 77 9.364 9.364 8.481 0.883 17903 1970 1 11 . 1 1 84 84 THR HA H 78 5.970 5.970 4.363 1.607 17903 1971 1 11 . 1 1 84 84 THR H H 78 8.938 8.938 7.928 1.010 17903 1972 1 11 . 1 1 85 85 LYS H H 79 8.058 8.058 8.414 -0.356 17903 1973 1 11 . 1 1 86 86 MET HA H 80 4.582 4.582 4.610 -0.028 17903 1974 1 11 . 1 1 86 86 MET H H 80 8.681 8.681 8.456 0.225 17903 1975 1 11 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.453 0.709 17903 1976 1 11 . 1 1 87 87 ALA H H 81 8.014 8.014 8.480 -0.466 17903 1977 1 11 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.678 -0.254 17903 1978 1 11 . 1 1 88 88 PHE H H 82 8.708 8.708 7.958 0.750 17903 1979 1 11 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.528 -0.536 17903 1980 1 11 . 1 1 91 91 LEU H H 85 8.409 8.409 8.979 -0.570 17903 1981 1 11 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.066 -0.096 17903 1982 1 11 . 1 1 92 92 LYS H H 86 8.165 8.165 7.873 0.292 17903 1983 1 11 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.398 -0.073 17903 1984 1 11 . 1 1 93 93 LYS H H 87 8.256 8.256 8.223 0.033 17903 1985 1 11 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.992 -0.657 17903 1986 1 11 . 1 1 94 94 GLU H H 88 8.436 8.436 9.094 -0.658 17903 1987 1 11 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.038 -0.198 17903 1988 1 11 . 1 1 95 95 LYS H H 89 8.711 8.711 8.418 0.293 17903 1989 1 11 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.455 -0.393 17903 1990 1 11 . 1 1 96 96 ASP H H 90 6.317 6.317 7.778 -1.461 17903 1991 1 11 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.946 -0.530 17903 1992 1 11 . 1 1 97 97 ARG H H 91 7.422 7.422 7.600 -0.178 17903 1993 1 11 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.720 -0.882 17903 1994 1 11 . 1 1 98 98 ASN H H 92 8.486 8.486 8.696 -0.210 17903 1995 1 11 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.486 -0.467 17903 1996 1 11 . 1 1 99 99 ASP H H 93 8.620 8.620 8.397 0.223 17903 1997 1 11 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.024 -0.388 17903 1998 1 11 . 1 1 100 100 LEU H H 94 8.189 8.189 8.100 0.089 17903 1999 1 11 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.483 -0.657 17903 2000 1 11 . 1 1 101 101 ILE H H 95 8.672 8.672 7.752 0.920 17903 2001 1 11 . 1 1 102 102 THR HA H 96 3.825 3.825 4.061 -0.236 17903 2002 1 11 . 1 1 102 102 THR H H 96 7.928 7.928 8.134 -0.206 17903 2003 1 11 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.279 -0.298 17903 2004 1 11 . 1 1 103 103 TYR H H 97 7.499 7.499 7.775 -0.276 17903 2005 1 11 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.370 -0.431 17903 2006 1 11 . 1 1 104 104 LEU H H 98 8.853 8.853 8.765 0.088 17903 2007 1 11 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.609 -0.323 17903 2008 1 11 . 1 1 105 105 LYS H H 99 8.294 8.294 8.538 -0.244 17903 2009 1 11 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.932 0.185 17903 2010 1 11 . 1 1 106 106 LYS H H 100 6.365 6.365 7.228 -0.863 17903 2011 1 11 . 1 1 107 107 ALA HA H 101 3.883 3.883 4.015 -0.132 17903 2012 1 11 . 1 1 107 107 ALA H H 101 8.188 8.188 7.248 0.940 17903 2013 1 11 . 1 1 108 108 THR H H 102 6.404 6.404 7.730 -1.326 17903 2014 1 12 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.790 -0.512 17903 2015 1 12 . 1 1 3 3 PHE H H -3 7.737 7.737 7.942 -0.205 17903 2016 1 12 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.494 -0.702 17903 2017 1 12 . 1 1 4 4 LYS H H -2 6.597 6.597 8.817 -2.220 17903 2018 1 12 . 1 1 8 8 SER HA H 2 3.982 3.982 4.742 -0.760 17903 2019 1 12 . 1 1 8 8 SER H H 2 9.365 9.365 8.589 0.776 17903 2020 1 12 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.249 -0.133 17903 2021 1 12 . 1 1 9 9 ALA H H 3 8.961 8.961 8.936 0.025 17903 2022 1 12 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.037 0.288 17903 2023 1 12 . 1 1 10 10 LYS H H 4 8.198 8.198 8.569 -0.371 17903 2024 1 12 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.154 -0.122 17903 2025 1 12 . 1 1 11 11 LYS H H 5 7.710 7.710 7.511 0.199 17903 2026 1 12 . 1 1 12 12 GLY H H 6 8.619 8.619 8.030 0.589 17903 2027 1 12 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.043 -0.859 17903 2028 1 12 . 1 1 13 13 ALA H H 7 7.907 7.907 8.393 -0.486 17903 2029 1 12 . 1 1 14 14 THR HA H 8 4.095 4.095 4.009 0.086 17903 2030 1 12 . 1 1 14 14 THR H H 8 7.159 7.159 7.687 -0.528 17903 2031 1 12 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.048 -0.304 17903 2032 1 12 . 1 1 15 15 LEU H H 9 7.867 7.867 8.489 -0.622 17903 2033 1 12 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.074 -0.296 17903 2034 1 12 . 1 1 16 16 PHE H H 10 8.400 8.400 7.696 0.704 17903 2035 1 12 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.073 0.167 17903 2036 1 12 . 1 1 17 17 LYS H H 11 8.101 8.101 7.476 0.625 17903 2037 1 12 . 1 1 18 18 THR HA H 12 4.240 4.240 4.221 0.019 17903 2038 1 12 . 1 1 18 18 THR H H 12 7.740 7.740 8.180 -0.440 17903 2039 1 12 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.440 0.117 17903 2040 1 12 . 1 1 19 19 ARG H H 13 8.200 8.200 7.472 0.728 17903 2041 1 12 . 1 1 20 20 CYS HA H 14 1.474 1.474 3.884 -2.410 17903 2042 1 12 . 1 1 20 20 CYS H H 14 7.743 7.743 7.725 0.018 17903 2043 1 12 . 1 1 21 21 LEU HA H 15 6.244 6.244 3.860 2.384 17903 2044 1 12 . 1 1 21 21 LEU H H 15 8.143 8.143 7.768 0.375 17903 2045 1 12 . 1 1 22 22 GLN HA H 16 4.832 4.832 3.926 0.906 17903 2046 1 12 . 1 1 22 22 GLN H H 16 9.961 9.961 7.657 2.304 17903 2047 1 12 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.727 0.934 17903 2048 1 12 . 1 1 23 23 CYS H H 17 9.961 9.961 7.576 2.385 17903 2049 1 12 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.924 3.599 17903 2050 1 12 . 1 1 24 24 HIS H H 18 10.592 10.592 7.656 2.936 17903 2051 1 12 . 1 1 25 25 THR HA H 19 6.076 6.076 4.950 1.126 17903 2052 1 12 . 1 1 25 25 THR H H 19 10.271 10.271 8.732 1.539 17903 2053 1 12 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.881 -0.030 17903 2054 1 12 . 1 1 26 26 VAL H H 20 9.167 9.167 8.435 0.732 17903 2055 1 12 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.081 0.387 17903 2056 1 12 . 1 1 27 27 GLU H H 21 9.353 9.353 7.482 1.871 17903 2057 1 12 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.998 -0.201 17903 2058 1 12 . 1 1 28 28 LYS H H 22 9.566 9.566 8.403 1.163 17903 2059 1 12 . 1 1 29 29 GLY H H 23 9.546 9.546 8.596 0.950 17903 2060 1 12 . 1 1 30 30 GLY H H 24 8.353 8.353 7.972 0.381 17903 2061 1 12 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.252 0.305 17903 2062 1 12 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.877 -0.021 17903 2063 1 12 . 1 1 33 33 LYS H H 27 8.395 8.395 8.377 0.018 17903 2064 1 12 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.264 -0.949 17903 2065 1 12 . 1 1 34 34 VAL H H 28 7.759 7.759 7.693 0.066 17903 2066 1 12 . 1 1 35 35 GLY H H 29 7.665 7.665 7.663 0.002 17903 2067 1 12 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.314 -0.380 17903 2068 1 12 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.127 1.033 17903 2069 1 12 . 1 1 37 37 ASN H H 31 9.976 9.976 8.863 1.113 17903 2070 1 12 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.972 -0.212 17903 2071 1 12 . 1 1 38 38 LEU H H 32 9.635 9.635 8.438 1.197 17903 2072 1 12 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.681 -0.396 17903 2073 1 12 . 1 1 39 39 HIS H H 33 7.334 7.334 8.639 -1.305 17903 2074 1 12 . 1 1 40 40 GLY H H 34 9.079 9.079 8.638 0.441 17903 2075 1 12 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.987 -0.383 17903 2076 1 12 . 1 1 41 41 ILE H H 35 7.151 7.151 7.868 -0.717 17903 2077 1 12 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.173 -0.029 17903 2078 1 12 . 1 1 42 42 PHE H H 36 7.787 7.787 8.575 -0.788 17903 2079 1 12 . 1 1 43 43 GLY H H 37 8.679 8.679 7.596 1.083 17903 2080 1 12 . 1 1 44 44 ARG H H 38 7.793 7.793 8.335 -0.542 17903 2081 1 12 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.702 0.398 17903 2082 1 12 . 1 1 45 45 HIS H H 39 8.030 8.030 8.712 -0.682 17903 2083 1 12 . 1 1 46 46 SER HA H 40 4.374 4.374 4.252 0.122 17903 2084 1 12 . 1 1 46 46 SER H H 40 8.708 8.708 7.949 0.759 17903 2085 1 12 . 1 1 47 47 GLY H H 41 8.616 8.616 8.081 0.535 17903 2086 1 12 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.602 -0.351 17903 2087 1 12 . 1 1 48 48 GLN H H 42 7.900 7.900 7.551 0.349 17903 2088 1 12 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.698 -0.562 17903 2089 1 12 . 1 1 49 49 ALA H H 43 8.191 8.191 8.534 -0.343 17903 2090 1 12 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.054 0.091 17903 2091 1 12 . 1 1 50 50 GLU H H 44 8.663 8.663 8.837 -0.174 17903 2092 1 12 . 1 1 51 51 GLY H H 45 7.154 7.154 8.549 -1.395 17903 2093 1 12 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.429 -0.730 17903 2094 1 12 . 1 1 52 52 TYR H H 46 6.933 6.933 7.655 -0.722 17903 2095 1 12 . 1 1 53 53 SER HA H 47 4.100 4.100 4.189 -0.089 17903 2096 1 12 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.031 0.080 17903 2097 1 12 . 1 1 54 54 TYR H H 48 7.563 7.563 8.137 -0.574 17903 2098 1 12 . 1 1 55 55 THR HA H 49 4.265 4.265 4.369 -0.104 17903 2099 1 12 . 1 1 55 55 THR H H 49 7.989 7.989 8.106 -0.117 17903 2100 1 12 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.246 0.070 17903 2101 1 12 . 1 1 56 56 ASP H H 50 8.714 8.714 8.983 -0.269 17903 2102 1 12 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.010 0.110 17903 2103 1 12 . 1 1 57 57 ALA H H 51 8.127 8.127 8.424 -0.297 17903 2104 1 12 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.487 0.172 17903 2105 1 12 . 1 1 58 58 ASN H H 52 8.407 8.407 8.273 0.134 17903 2106 1 12 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.795 -0.098 17903 2107 1 12 . 1 1 59 59 ILE H H 53 7.643 7.643 8.383 -0.740 17903 2108 1 12 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.043 0.063 17903 2109 1 12 . 1 1 60 60 LYS H H 54 8.948 8.948 7.836 1.112 17903 2110 1 12 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.289 -0.253 17903 2111 1 12 . 1 1 61 61 LYS H H 55 7.419 7.419 7.514 -0.095 17903 2112 1 12 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.822 -0.521 17903 2113 1 12 . 1 1 62 62 ASN H H 56 7.414 7.414 8.418 -1.004 17903 2114 1 12 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.036 -0.068 17903 2115 1 12 . 1 1 63 63 VAL H H 57 7.776 7.776 8.169 -0.393 17903 2116 1 12 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.433 0.349 17903 2117 1 12 . 1 1 64 64 LEU H H 58 8.402 8.402 8.061 0.341 17903 2118 1 12 . 1 1 65 65 TRP H H 59 7.766 7.766 8.089 -0.323 17903 2119 1 12 . 1 1 66 66 ASP HA H 60 4.772 4.772 5.068 -0.296 17903 2120 1 12 . 1 1 66 66 ASP H H 60 9.950 9.950 8.365 1.585 17903 2121 1 12 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.033 -0.733 17903 2122 1 12 . 1 1 67 67 GLU H H 61 10.010 10.010 8.826 1.184 17903 2123 1 12 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.558 0.009 17903 2124 1 12 . 1 1 68 68 ASN H H 62 8.207 8.207 8.767 -0.560 17903 2125 1 12 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.520 -0.057 17903 2126 1 12 . 1 1 69 69 ASN H H 63 9.442 9.442 8.045 1.397 17903 2127 1 12 . 1 1 70 70 MET HA H 64 4.330 4.330 3.835 0.495 17903 2128 1 12 . 1 1 70 70 MET H H 64 8.891 8.891 8.776 0.115 17903 2129 1 12 . 1 1 71 71 SER HA H 65 3.572 3.572 4.090 -0.518 17903 2130 1 12 . 1 1 71 71 SER H H 65 7.660 7.660 7.837 -0.177 17903 2131 1 12 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.109 -0.199 17903 2132 1 12 . 1 1 72 72 GLU H H 66 7.657 7.657 7.850 -0.193 17903 2133 1 12 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.222 0.174 17903 2134 1 12 . 1 1 73 73 TYR H H 67 8.935 8.935 7.426 1.509 17903 2135 1 12 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.890 -0.138 17903 2136 1 12 . 1 1 74 74 LEU H H 68 8.189 8.189 8.333 -0.144 17903 2137 1 12 . 1 1 75 75 THR HA H 69 3.851 3.851 4.028 -0.177 17903 2138 1 12 . 1 1 75 75 THR H H 69 7.421 7.421 7.521 -0.100 17903 2139 1 12 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.518 0.484 17903 2140 1 12 . 1 1 76 76 ASN H H 70 6.632 6.632 7.726 -1.094 17903 2141 1 12 . 1 1 77 77 HIS HA H 71 10.271 10.271 2.948 7.323 17903 2142 1 12 . 1 1 77 77 HIS H H 71 11.262 11.262 8.245 3.017 17903 2143 1 12 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.197 2.028 17903 2144 1 12 . 1 1 78 78 ALA H H 72 9.567 9.567 7.709 1.858 17903 2145 1 12 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.025 0.436 17903 2146 1 12 . 1 1 79 79 LYS H H 73 8.017 8.017 8.296 -0.279 17903 2147 1 12 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.334 -0.121 17903 2148 1 12 . 1 1 80 80 TYR H H 74 8.270 8.270 8.000 0.270 17903 2149 1 12 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.610 0.145 17903 2150 1 12 . 1 1 81 81 ILE H H 75 9.605 9.605 7.774 1.831 17903 2151 1 12 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.311 1.204 17903 2152 1 12 . 1 1 83 83 GLY H H 77 9.364 9.364 8.497 0.867 17903 2153 1 12 . 1 1 84 84 THR HA H 78 5.970 5.970 4.241 1.729 17903 2154 1 12 . 1 1 84 84 THR H H 78 8.938 8.938 7.638 1.300 17903 2155 1 12 . 1 1 85 85 LYS H H 79 8.058 8.058 8.786 -0.728 17903 2156 1 12 . 1 1 86 86 MET HA H 80 4.582 4.582 4.814 -0.232 17903 2157 1 12 . 1 1 86 86 MET H H 80 8.681 8.681 7.787 0.894 17903 2158 1 12 . 1 1 87 87 ALA HA H 81 5.162 5.162 5.157 0.005 17903 2159 1 12 . 1 1 87 87 ALA H H 81 8.014 8.014 8.312 -0.298 17903 2160 1 12 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.372 0.052 17903 2161 1 12 . 1 1 88 88 PHE H H 82 8.708 8.708 8.542 0.166 17903 2162 1 12 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.285 -0.293 17903 2163 1 12 . 1 1 91 91 LEU H H 85 8.409 8.409 8.633 -0.224 17903 2164 1 12 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.062 -0.092 17903 2165 1 12 . 1 1 92 92 LYS H H 86 8.165 8.165 8.379 -0.214 17903 2166 1 12 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.415 -0.090 17903 2167 1 12 . 1 1 93 93 LYS H H 87 8.256 8.256 8.082 0.174 17903 2168 1 12 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.986 -0.651 17903 2169 1 12 . 1 1 94 94 GLU H H 88 8.436 8.436 9.049 -0.613 17903 2170 1 12 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.026 -0.186 17903 2171 1 12 . 1 1 95 95 LYS H H 89 8.711 8.711 8.382 0.329 17903 2172 1 12 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.449 -0.387 17903 2173 1 12 . 1 1 96 96 ASP H H 90 6.317 6.317 7.795 -1.478 17903 2174 1 12 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.985 -0.569 17903 2175 1 12 . 1 1 97 97 ARG H H 91 7.422 7.422 7.482 -0.060 17903 2176 1 12 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.653 -0.815 17903 2177 1 12 . 1 1 98 98 ASN H H 92 8.486 8.486 8.207 0.279 17903 2178 1 12 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.485 -0.466 17903 2179 1 12 . 1 1 99 99 ASP H H 93 8.620 8.620 8.386 0.234 17903 2180 1 12 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.048 -0.412 17903 2181 1 12 . 1 1 100 100 LEU H H 94 8.189 8.189 8.169 0.020 17903 2182 1 12 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.626 -0.800 17903 2183 1 12 . 1 1 101 101 ILE H H 95 8.672 8.672 7.791 0.881 17903 2184 1 12 . 1 1 102 102 THR HA H 96 3.825 3.825 4.059 -0.234 17903 2185 1 12 . 1 1 102 102 THR H H 96 7.928 7.928 8.093 -0.165 17903 2186 1 12 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.309 -0.328 17903 2187 1 12 . 1 1 103 103 TYR H H 97 7.499 7.499 7.756 -0.257 17903 2188 1 12 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.552 -0.613 17903 2189 1 12 . 1 1 104 104 LEU H H 98 8.853 8.853 8.885 -0.032 17903 2190 1 12 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.231 0.055 17903 2191 1 12 . 1 1 105 105 LYS H H 99 8.294 8.294 8.221 0.073 17903 2192 1 12 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.928 0.189 17903 2193 1 12 . 1 1 106 106 LYS H H 100 6.365 6.365 7.226 -0.861 17903 2194 1 12 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.941 -0.058 17903 2195 1 12 . 1 1 107 107 ALA H H 101 8.188 8.188 7.686 0.502 17903 2196 1 12 . 1 1 108 108 THR H H 102 6.404 6.404 7.899 -1.495 17903 2197 1 13 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.645 -0.367 17903 2198 1 13 . 1 1 3 3 PHE H H -3 7.737 7.737 8.568 -0.831 17903 2199 1 13 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.520 -0.728 17903 2200 1 13 . 1 1 4 4 LYS H H -2 6.597 6.597 7.922 -1.325 17903 2201 1 13 . 1 1 8 8 SER HA H 2 3.982 3.982 4.767 -0.785 17903 2202 1 13 . 1 1 8 8 SER H H 2 9.365 9.365 8.257 1.108 17903 2203 1 13 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.174 -0.058 17903 2204 1 13 . 1 1 9 9 ALA H H 3 8.961 8.961 8.874 0.087 17903 2205 1 13 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.999 0.326 17903 2206 1 13 . 1 1 10 10 LYS H H 4 8.198 8.198 8.543 -0.345 17903 2207 1 13 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.109 -0.077 17903 2208 1 13 . 1 1 11 11 LYS H H 5 7.710 7.710 7.592 0.118 17903 2209 1 13 . 1 1 12 12 GLY H H 6 8.619 8.619 7.657 0.962 17903 2210 1 13 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.115 -0.931 17903 2211 1 13 . 1 1 13 13 ALA H H 7 7.907 7.907 7.490 0.417 17903 2212 1 13 . 1 1 14 14 THR HA H 8 4.095 4.095 3.929 0.166 17903 2213 1 13 . 1 1 14 14 THR H H 8 7.159 7.159 7.338 -0.179 17903 2214 1 13 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.098 -0.354 17903 2215 1 13 . 1 1 15 15 LEU H H 9 7.867 7.867 8.222 -0.355 17903 2216 1 13 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.225 -0.447 17903 2217 1 13 . 1 1 16 16 PHE H H 10 8.400 8.400 8.205 0.195 17903 2218 1 13 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.218 0.022 17903 2219 1 13 . 1 1 17 17 LYS H H 11 8.101 8.101 8.595 -0.494 17903 2220 1 13 . 1 1 18 18 THR HA H 12 4.240 4.240 4.368 -0.128 17903 2221 1 13 . 1 1 18 18 THR H H 12 7.740 7.740 7.652 0.088 17903 2222 1 13 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.405 0.152 17903 2223 1 13 . 1 1 19 19 ARG H H 13 8.200 8.200 7.599 0.601 17903 2224 1 13 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.231 -2.757 17903 2225 1 13 . 1 1 20 20 CYS H H 14 7.743 7.743 7.699 0.044 17903 2226 1 13 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.327 1.917 17903 2227 1 13 . 1 1 21 21 LEU H H 15 8.143 8.143 7.751 0.392 17903 2228 1 13 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.115 0.717 17903 2229 1 13 . 1 1 22 22 GLN H H 16 9.961 9.961 7.738 2.223 17903 2230 1 13 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.697 0.964 17903 2231 1 13 . 1 1 23 23 CYS H H 17 9.961 9.961 7.503 2.458 17903 2232 1 13 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.883 3.640 17903 2233 1 13 . 1 1 24 24 HIS H H 18 10.592 10.592 8.734 1.858 17903 2234 1 13 . 1 1 25 25 THR HA H 19 6.076 6.076 4.747 1.329 17903 2235 1 13 . 1 1 25 25 THR H H 19 10.271 10.271 8.672 1.599 17903 2236 1 13 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.366 0.485 17903 2237 1 13 . 1 1 26 26 VAL H H 20 9.167 9.167 8.505 0.662 17903 2238 1 13 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.927 0.541 17903 2239 1 13 . 1 1 27 27 GLU H H 21 9.353 9.353 7.754 1.599 17903 2240 1 13 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.273 -0.476 17903 2241 1 13 . 1 1 28 28 LYS H H 22 9.566 9.566 8.369 1.197 17903 2242 1 13 . 1 1 29 29 GLY H H 23 9.546 9.546 8.655 0.891 17903 2243 1 13 . 1 1 30 30 GLY H H 24 8.353 8.353 7.530 0.823 17903 2244 1 13 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.081 0.476 17903 2245 1 13 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.632 0.224 17903 2246 1 13 . 1 1 33 33 LYS H H 27 8.395 8.395 8.610 -0.215 17903 2247 1 13 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.271 -0.956 17903 2248 1 13 . 1 1 34 34 VAL H H 28 7.759 7.759 7.853 -0.094 17903 2249 1 13 . 1 1 35 35 GLY H H 29 7.665 7.665 7.651 0.014 17903 2250 1 13 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.372 -0.438 17903 2251 1 13 . 1 1 37 37 ASN HA H 31 6.160 6.160 4.647 1.513 17903 2252 1 13 . 1 1 37 37 ASN H H 31 9.976 9.976 8.118 1.858 17903 2253 1 13 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.670 0.090 17903 2254 1 13 . 1 1 38 38 LEU H H 32 9.635 9.635 7.890 1.745 17903 2255 1 13 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.640 -0.355 17903 2256 1 13 . 1 1 39 39 HIS H H 33 7.334 7.334 8.598 -1.264 17903 2257 1 13 . 1 1 40 40 GLY H H 34 9.079 9.079 8.627 0.452 17903 2258 1 13 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.919 -0.315 17903 2259 1 13 . 1 1 41 41 ILE H H 35 7.151 7.151 7.939 -0.788 17903 2260 1 13 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.168 -0.024 17903 2261 1 13 . 1 1 42 42 PHE H H 36 7.787 7.787 8.523 -0.736 17903 2262 1 13 . 1 1 43 43 GLY H H 37 8.679 8.679 7.653 1.026 17903 2263 1 13 . 1 1 44 44 ARG H H 38 7.793 7.793 8.176 -0.383 17903 2264 1 13 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.732 0.368 17903 2265 1 13 . 1 1 45 45 HIS H H 39 8.030 8.030 8.531 -0.501 17903 2266 1 13 . 1 1 46 46 SER HA H 40 4.374 4.374 4.814 -0.440 17903 2267 1 13 . 1 1 46 46 SER H H 40 8.708 8.708 7.772 0.936 17903 2268 1 13 . 1 1 47 47 GLY H H 41 8.616 8.616 8.511 0.105 17903 2269 1 13 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.285 -0.034 17903 2270 1 13 . 1 1 48 48 GLN H H 42 7.900 7.900 7.197 0.703 17903 2271 1 13 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.598 -0.462 17903 2272 1 13 . 1 1 49 49 ALA H H 43 8.191 8.191 8.214 -0.023 17903 2273 1 13 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.701 -0.556 17903 2274 1 13 . 1 1 50 50 GLU H H 44 8.663 8.663 8.693 -0.030 17903 2275 1 13 . 1 1 51 51 GLY H H 45 7.154 7.154 8.806 -1.652 17903 2276 1 13 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.684 -0.985 17903 2277 1 13 . 1 1 52 52 TYR H H 46 6.933 6.933 7.674 -0.741 17903 2278 1 13 . 1 1 53 53 SER HA H 47 4.100 4.100 4.087 0.013 17903 2279 1 13 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.167 -0.056 17903 2280 1 13 . 1 1 54 54 TYR H H 48 7.563 7.563 8.170 -0.607 17903 2281 1 13 . 1 1 55 55 THR HA H 49 4.265 4.265 4.426 -0.161 17903 2282 1 13 . 1 1 55 55 THR H H 49 7.989 7.989 8.067 -0.078 17903 2283 1 13 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.214 0.102 17903 2284 1 13 . 1 1 56 56 ASP H H 50 8.714 8.714 9.135 -0.421 17903 2285 1 13 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.052 0.068 17903 2286 1 13 . 1 1 57 57 ALA H H 51 8.127 8.127 8.480 -0.353 17903 2287 1 13 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.643 0.016 17903 2288 1 13 . 1 1 58 58 ASN H H 52 8.407 8.407 8.165 0.242 17903 2289 1 13 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.857 -0.160 17903 2290 1 13 . 1 1 59 59 ILE H H 53 7.643 7.643 8.665 -1.022 17903 2291 1 13 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.058 0.048 17903 2292 1 13 . 1 1 60 60 LYS H H 54 8.948 8.948 7.755 1.193 17903 2293 1 13 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.341 -0.305 17903 2294 1 13 . 1 1 61 61 LYS H H 55 7.419 7.419 7.529 -0.110 17903 2295 1 13 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.999 -0.698 17903 2296 1 13 . 1 1 62 62 ASN H H 56 7.414 7.414 8.434 -1.020 17903 2297 1 13 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.171 -0.203 17903 2298 1 13 . 1 1 63 63 VAL H H 57 7.776 7.776 8.334 -0.558 17903 2299 1 13 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.123 0.659 17903 2300 1 13 . 1 1 64 64 LEU H H 58 8.402 8.402 7.962 0.440 17903 2301 1 13 . 1 1 65 65 TRP H H 59 7.766 7.766 7.822 -0.056 17903 2302 1 13 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.854 -0.082 17903 2303 1 13 . 1 1 66 66 ASP H H 60 9.950 9.950 8.283 1.667 17903 2304 1 13 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.026 -0.726 17903 2305 1 13 . 1 1 67 67 GLU H H 61 10.010 10.010 8.794 1.216 17903 2306 1 13 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.561 0.006 17903 2307 1 13 . 1 1 68 68 ASN H H 62 8.207 8.207 8.420 -0.213 17903 2308 1 13 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.486 -0.023 17903 2309 1 13 . 1 1 69 69 ASN H H 63 9.442 9.442 8.280 1.162 17903 2310 1 13 . 1 1 70 70 MET HA H 64 4.330 4.330 3.914 0.416 17903 2311 1 13 . 1 1 70 70 MET H H 64 8.891 8.891 8.913 -0.022 17903 2312 1 13 . 1 1 71 71 SER HA H 65 3.572 3.572 4.187 -0.615 17903 2313 1 13 . 1 1 71 71 SER H H 65 7.660 7.660 8.105 -0.445 17903 2314 1 13 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.147 -0.237 17903 2315 1 13 . 1 1 72 72 GLU H H 66 7.657 7.657 7.623 0.034 17903 2316 1 13 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.288 0.108 17903 2317 1 13 . 1 1 73 73 TYR H H 67 8.935 8.935 7.484 1.451 17903 2318 1 13 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.855 -0.103 17903 2319 1 13 . 1 1 74 74 LEU H H 68 8.189 8.189 8.661 -0.472 17903 2320 1 13 . 1 1 75 75 THR HA H 69 3.851 3.851 3.912 -0.061 17903 2321 1 13 . 1 1 75 75 THR H H 69 7.421 7.421 7.614 -0.193 17903 2322 1 13 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.862 0.140 17903 2323 1 13 . 1 1 76 76 ASN H H 70 6.632 6.632 7.420 -0.788 17903 2324 1 13 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.933 6.338 17903 2325 1 13 . 1 1 77 77 HIS H H 71 11.262 11.262 8.883 2.379 17903 2326 1 13 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.231 1.994 17903 2327 1 13 . 1 1 78 78 ALA H H 72 9.567 9.567 8.437 1.130 17903 2328 1 13 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.958 0.503 17903 2329 1 13 . 1 1 79 79 LYS H H 73 8.017 8.017 7.196 0.821 17903 2330 1 13 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.384 -0.171 17903 2331 1 13 . 1 1 80 80 TYR H H 74 8.270 8.270 8.381 -0.111 17903 2332 1 13 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.580 0.175 17903 2333 1 13 . 1 1 81 81 ILE H H 75 9.605 9.605 7.826 1.779 17903 2334 1 13 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.564 0.951 17903 2335 1 13 . 1 1 83 83 GLY H H 77 9.364 9.364 8.691 0.673 17903 2336 1 13 . 1 1 84 84 THR HA H 78 5.970 5.970 4.557 1.413 17903 2337 1 13 . 1 1 84 84 THR H H 78 8.938 8.938 7.561 1.377 17903 2338 1 13 . 1 1 85 85 LYS H H 79 8.058 8.058 8.699 -0.641 17903 2339 1 13 . 1 1 86 86 MET HA H 80 4.582 4.582 4.668 -0.086 17903 2340 1 13 . 1 1 86 86 MET H H 80 8.681 8.681 8.183 0.498 17903 2341 1 13 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.414 0.748 17903 2342 1 13 . 1 1 87 87 ALA H H 81 8.014 8.014 8.550 -0.536 17903 2343 1 13 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.624 -0.200 17903 2344 1 13 . 1 1 88 88 PHE H H 82 8.708 8.708 7.643 1.065 17903 2345 1 13 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.596 -0.604 17903 2346 1 13 . 1 1 91 91 LEU H H 85 8.409 8.409 8.371 0.038 17903 2347 1 13 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.042 -0.072 17903 2348 1 13 . 1 1 92 92 LYS H H 86 8.165 8.165 7.661 0.504 17903 2349 1 13 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.226 0.099 17903 2350 1 13 . 1 1 93 93 LYS H H 87 8.256 8.256 8.001 0.255 17903 2351 1 13 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.966 -0.631 17903 2352 1 13 . 1 1 94 94 GLU H H 88 8.436 8.436 9.055 -0.619 17903 2353 1 13 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.951 -0.111 17903 2354 1 13 . 1 1 95 95 LYS H H 89 8.711 8.711 8.309 0.402 17903 2355 1 13 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.449 -0.387 17903 2356 1 13 . 1 1 96 96 ASP H H 90 6.317 6.317 7.967 -1.650 17903 2357 1 13 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.981 -0.565 17903 2358 1 13 . 1 1 97 97 ARG H H 91 7.422 7.422 7.844 -0.422 17903 2359 1 13 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.538 -0.700 17903 2360 1 13 . 1 1 98 98 ASN H H 92 8.486 8.486 8.588 -0.102 17903 2361 1 13 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.475 -0.456 17903 2362 1 13 . 1 1 99 99 ASP H H 93 8.620 8.620 8.346 0.274 17903 2363 1 13 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.150 -0.514 17903 2364 1 13 . 1 1 100 100 LEU H H 94 8.189 8.189 8.491 -0.302 17903 2365 1 13 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.778 -0.952 17903 2366 1 13 . 1 1 101 101 ILE H H 95 8.672 8.672 7.956 0.716 17903 2367 1 13 . 1 1 102 102 THR HA H 96 3.825 3.825 3.938 -0.113 17903 2368 1 13 . 1 1 102 102 THR H H 96 7.928 7.928 8.466 -0.538 17903 2369 1 13 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.217 -0.236 17903 2370 1 13 . 1 1 103 103 TYR H H 97 7.499 7.499 7.903 -0.404 17903 2371 1 13 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.397 -0.458 17903 2372 1 13 . 1 1 104 104 LEU H H 98 8.853 8.853 7.934 0.919 17903 2373 1 13 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.318 -0.032 17903 2374 1 13 . 1 1 105 105 LYS H H 99 8.294 8.294 8.457 -0.163 17903 2375 1 13 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.884 0.233 17903 2376 1 13 . 1 1 106 106 LYS H H 100 6.365 6.365 7.276 -0.911 17903 2377 1 13 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.929 -0.045 17903 2378 1 13 . 1 1 107 107 ALA H H 101 8.188 8.188 7.296 0.892 17903 2379 1 13 . 1 1 108 108 THR H H 102 6.404 6.404 7.664 -1.260 17903 2380 1 14 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.766 -0.488 17903 2381 1 14 . 1 1 3 3 PHE H H -3 7.737 7.737 7.127 0.610 17903 2382 1 14 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.211 -0.419 17903 2383 1 14 . 1 1 4 4 LYS H H -2 6.597 6.597 8.552 -1.955 17903 2384 1 14 . 1 1 8 8 SER HA H 2 3.982 3.982 4.837 -0.855 17903 2385 1 14 . 1 1 8 8 SER H H 2 9.365 9.365 8.375 0.990 17903 2386 1 14 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.254 -0.138 17903 2387 1 14 . 1 1 9 9 ALA H H 3 8.961 8.961 8.963 -0.002 17903 2388 1 14 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.000 0.325 17903 2389 1 14 . 1 1 10 10 LYS H H 4 8.198 8.198 8.533 -0.335 17903 2390 1 14 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.129 -0.097 17903 2391 1 14 . 1 1 11 11 LYS H H 5 7.710 7.710 7.490 0.220 17903 2392 1 14 . 1 1 12 12 GLY H H 6 8.619 8.619 7.898 0.721 17903 2393 1 14 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.367 -1.183 17903 2394 1 14 . 1 1 13 13 ALA H H 7 7.907 7.907 8.514 -0.607 17903 2395 1 14 . 1 1 14 14 THR HA H 8 4.095 4.095 4.028 0.067 17903 2396 1 14 . 1 1 14 14 THR H H 8 7.159 7.159 7.636 -0.477 17903 2397 1 14 . 1 1 15 15 LEU HA H 9 3.744 3.744 3.984 -0.240 17903 2398 1 14 . 1 1 15 15 LEU H H 9 7.867 7.867 7.846 0.021 17903 2399 1 14 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.166 -0.388 17903 2400 1 14 . 1 1 16 16 PHE H H 10 8.400 8.400 7.756 0.644 17903 2401 1 14 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.170 0.070 17903 2402 1 14 . 1 1 17 17 LYS H H 11 8.101 8.101 7.605 0.496 17903 2403 1 14 . 1 1 18 18 THR HA H 12 4.240 4.240 4.378 -0.138 17903 2404 1 14 . 1 1 18 18 THR H H 12 7.740 7.740 8.134 -0.394 17903 2405 1 14 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.465 0.092 17903 2406 1 14 . 1 1 19 19 ARG H H 13 8.200 8.200 7.689 0.511 17903 2407 1 14 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.246 -2.772 17903 2408 1 14 . 1 1 20 20 CYS H H 14 7.743 7.743 7.697 0.046 17903 2409 1 14 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.354 1.890 17903 2410 1 14 . 1 1 21 21 LEU H H 15 8.143 8.143 7.990 0.153 17903 2411 1 14 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.030 0.802 17903 2412 1 14 . 1 1 22 22 GLN H H 16 9.961 9.961 7.755 2.206 17903 2413 1 14 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.727 0.934 17903 2414 1 14 . 1 1 23 23 CYS H H 17 9.961 9.961 7.615 2.346 17903 2415 1 14 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.914 3.609 17903 2416 1 14 . 1 1 24 24 HIS H H 18 10.592 10.592 8.702 1.890 17903 2417 1 14 . 1 1 25 25 THR HA H 19 6.076 6.076 4.737 1.339 17903 2418 1 14 . 1 1 25 25 THR H H 19 10.271 10.271 8.617 1.654 17903 2419 1 14 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.888 0.963 17903 2420 1 14 . 1 1 26 26 VAL H H 20 9.167 9.167 8.484 0.683 17903 2421 1 14 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.022 0.446 17903 2422 1 14 . 1 1 27 27 GLU H H 21 9.353 9.353 7.773 1.580 17903 2423 1 14 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.851 -0.054 17903 2424 1 14 . 1 1 28 28 LYS H H 22 9.566 9.566 8.403 1.163 17903 2425 1 14 . 1 1 29 29 GLY H H 23 9.546 9.546 9.397 0.149 17903 2426 1 14 . 1 1 30 30 GLY H H 24 8.353 8.353 8.427 -0.074 17903 2427 1 14 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.281 0.276 17903 2428 1 14 . 1 1 32 32 HIS HA H 26 4.856 4.856 5.132 -0.276 17903 2429 1 14 . 1 1 33 33 LYS H H 27 8.395 8.395 8.006 0.389 17903 2430 1 14 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.219 -0.904 17903 2431 1 14 . 1 1 34 34 VAL H H 28 7.759 7.759 7.981 -0.222 17903 2432 1 14 . 1 1 35 35 GLY H H 29 7.665 7.665 7.576 0.089 17903 2433 1 14 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.441 -0.507 17903 2434 1 14 . 1 1 37 37 ASN HA H 31 6.160 6.160 4.536 1.624 17903 2435 1 14 . 1 1 37 37 ASN H H 31 9.976 9.976 7.999 1.977 17903 2436 1 14 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.333 0.427 17903 2437 1 14 . 1 1 38 38 LEU H H 32 9.635 9.635 7.861 1.774 17903 2438 1 14 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.235 0.050 17903 2439 1 14 . 1 1 39 39 HIS H H 33 7.334 7.334 8.486 -1.152 17903 2440 1 14 . 1 1 40 40 GLY H H 34 9.079 9.079 8.761 0.318 17903 2441 1 14 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.013 -0.409 17903 2442 1 14 . 1 1 41 41 ILE H H 35 7.151 7.151 7.827 -0.676 17903 2443 1 14 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.241 -0.097 17903 2444 1 14 . 1 1 42 42 PHE H H 36 7.787 7.787 8.671 -0.884 17903 2445 1 14 . 1 1 43 43 GLY H H 37 8.679 8.679 7.631 1.048 17903 2446 1 14 . 1 1 44 44 ARG H H 38 7.793 7.793 8.105 -0.312 17903 2447 1 14 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.746 0.354 17903 2448 1 14 . 1 1 45 45 HIS H H 39 8.030 8.030 8.738 -0.708 17903 2449 1 14 . 1 1 46 46 SER HA H 40 4.374 4.374 4.311 0.063 17903 2450 1 14 . 1 1 46 46 SER H H 40 8.708 8.708 7.745 0.963 17903 2451 1 14 . 1 1 47 47 GLY H H 41 8.616 8.616 8.070 0.546 17903 2452 1 14 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.518 -0.267 17903 2453 1 14 . 1 1 48 48 GLN H H 42 7.900 7.900 7.784 0.116 17903 2454 1 14 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.702 -0.566 17903 2455 1 14 . 1 1 49 49 ALA H H 43 8.191 8.191 8.553 -0.362 17903 2456 1 14 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.241 -0.096 17903 2457 1 14 . 1 1 50 50 GLU H H 44 8.663 8.663 9.143 -0.480 17903 2458 1 14 . 1 1 51 51 GLY H H 45 7.154 7.154 8.229 -1.075 17903 2459 1 14 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.570 -0.871 17903 2460 1 14 . 1 1 52 52 TYR H H 46 6.933 6.933 6.861 0.072 17903 2461 1 14 . 1 1 53 53 SER HA H 47 4.100 4.100 4.034 0.066 17903 2462 1 14 . 1 1 54 54 TYR HA H 48 4.111 4.111 3.978 0.133 17903 2463 1 14 . 1 1 54 54 TYR H H 48 7.563 7.563 8.328 -0.765 17903 2464 1 14 . 1 1 55 55 THR HA H 49 4.265 4.265 4.358 -0.093 17903 2465 1 14 . 1 1 55 55 THR H H 49 7.989 7.989 8.190 -0.201 17903 2466 1 14 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.225 0.091 17903 2467 1 14 . 1 1 56 56 ASP H H 50 8.714 8.714 9.079 -0.365 17903 2468 1 14 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.071 0.049 17903 2469 1 14 . 1 1 57 57 ALA H H 51 8.127 8.127 8.475 -0.348 17903 2470 1 14 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.552 0.107 17903 2471 1 14 . 1 1 58 58 ASN H H 52 8.407 8.407 8.386 0.021 17903 2472 1 14 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.804 -0.107 17903 2473 1 14 . 1 1 59 59 ILE H H 53 7.643 7.643 8.553 -0.910 17903 2474 1 14 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.085 0.021 17903 2475 1 14 . 1 1 60 60 LYS H H 54 8.948 8.948 7.802 1.146 17903 2476 1 14 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.299 -0.263 17903 2477 1 14 . 1 1 61 61 LYS H H 55 7.419 7.419 7.399 0.020 17903 2478 1 14 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.921 -0.620 17903 2479 1 14 . 1 1 62 62 ASN H H 56 7.414 7.414 8.433 -1.019 17903 2480 1 14 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.999 -0.031 17903 2481 1 14 . 1 1 63 63 VAL H H 57 7.776 7.776 8.144 -0.368 17903 2482 1 14 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.380 0.402 17903 2483 1 14 . 1 1 64 64 LEU H H 58 8.402 8.402 8.040 0.362 17903 2484 1 14 . 1 1 65 65 TRP H H 59 7.766 7.766 7.968 -0.202 17903 2485 1 14 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.892 -0.120 17903 2486 1 14 . 1 1 66 66 ASP H H 60 9.950 9.950 8.242 1.708 17903 2487 1 14 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.905 -0.605 17903 2488 1 14 . 1 1 67 67 GLU H H 61 10.010 10.010 8.831 1.179 17903 2489 1 14 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.529 0.038 17903 2490 1 14 . 1 1 68 68 ASN H H 62 8.207 8.207 8.491 -0.284 17903 2491 1 14 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.352 0.111 17903 2492 1 14 . 1 1 69 69 ASN H H 63 9.442 9.442 8.342 1.100 17903 2493 1 14 . 1 1 70 70 MET HA H 64 4.330 4.330 3.901 0.429 17903 2494 1 14 . 1 1 70 70 MET H H 64 8.891 8.891 8.677 0.214 17903 2495 1 14 . 1 1 71 71 SER HA H 65 3.572 3.572 3.949 -0.377 17903 2496 1 14 . 1 1 71 71 SER H H 65 7.660 7.660 7.614 0.046 17903 2497 1 14 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.130 -0.220 17903 2498 1 14 . 1 1 72 72 GLU H H 66 7.657 7.657 7.562 0.095 17903 2499 1 14 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.408 -0.012 17903 2500 1 14 . 1 1 73 73 TYR H H 67 8.935 8.935 7.314 1.621 17903 2501 1 14 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.720 0.032 17903 2502 1 14 . 1 1 74 74 LEU H H 68 8.189 8.189 8.008 0.181 17903 2503 1 14 . 1 1 75 75 THR HA H 69 3.851 3.851 3.938 -0.087 17903 2504 1 14 . 1 1 75 75 THR H H 69 7.421 7.421 7.395 0.026 17903 2505 1 14 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.867 0.135 17903 2506 1 14 . 1 1 76 76 ASN H H 70 6.632 6.632 7.466 -0.834 17903 2507 1 14 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.471 6.800 17903 2508 1 14 . 1 1 77 77 HIS H H 71 11.262 11.262 8.942 2.320 17903 2509 1 14 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.571 1.654 17903 2510 1 14 . 1 1 78 78 ALA H H 72 9.567 9.567 7.615 1.952 17903 2511 1 14 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.030 0.431 17903 2512 1 14 . 1 1 79 79 LYS H H 73 8.017 8.017 7.671 0.346 17903 2513 1 14 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.585 -0.372 17903 2514 1 14 . 1 1 80 80 TYR H H 74 8.270 8.270 8.530 -0.260 17903 2515 1 14 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.626 0.129 17903 2516 1 14 . 1 1 81 81 ILE H H 75 9.605 9.605 7.817 1.788 17903 2517 1 14 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.359 1.156 17903 2518 1 14 . 1 1 83 83 GLY H H 77 9.364 9.364 8.478 0.886 17903 2519 1 14 . 1 1 84 84 THR HA H 78 5.970 5.970 4.327 1.643 17903 2520 1 14 . 1 1 84 84 THR H H 78 8.938 8.938 7.948 0.990 17903 2521 1 14 . 1 1 85 85 LYS H H 79 8.058 8.058 8.499 -0.441 17903 2522 1 14 . 1 1 86 86 MET HA H 80 4.582 4.582 4.673 -0.091 17903 2523 1 14 . 1 1 86 86 MET H H 80 8.681 8.681 8.458 0.223 17903 2524 1 14 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.374 0.788 17903 2525 1 14 . 1 1 87 87 ALA H H 81 8.014 8.014 8.667 -0.653 17903 2526 1 14 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.208 0.216 17903 2527 1 14 . 1 1 88 88 PHE H H 82 8.708 8.708 7.491 1.217 17903 2528 1 14 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.299 -0.307 17903 2529 1 14 . 1 1 91 91 LEU H H 85 8.409 8.409 8.716 -0.307 17903 2530 1 14 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.066 -0.096 17903 2531 1 14 . 1 1 92 92 LYS H H 86 8.165 8.165 8.300 -0.135 17903 2532 1 14 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.351 -0.026 17903 2533 1 14 . 1 1 93 93 LYS H H 87 8.256 8.256 7.931 0.325 17903 2534 1 14 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.970 -0.635 17903 2535 1 14 . 1 1 94 94 GLU H H 88 8.436 8.436 9.069 -0.633 17903 2536 1 14 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.999 -0.159 17903 2537 1 14 . 1 1 95 95 LYS H H 89 8.711 8.711 8.361 0.350 17903 2538 1 14 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.417 -0.355 17903 2539 1 14 . 1 1 96 96 ASP H H 90 6.317 6.317 7.945 -1.628 17903 2540 1 14 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.904 -0.488 17903 2541 1 14 . 1 1 97 97 ARG H H 91 7.422 7.422 7.542 -0.120 17903 2542 1 14 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.632 -0.794 17903 2543 1 14 . 1 1 98 98 ASN H H 92 8.486 8.486 8.523 -0.037 17903 2544 1 14 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.521 -0.502 17903 2545 1 14 . 1 1 99 99 ASP H H 93 8.620 8.620 8.338 0.282 17903 2546 1 14 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.137 -0.501 17903 2547 1 14 . 1 1 100 100 LEU H H 94 8.189 8.189 8.461 -0.272 17903 2548 1 14 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.728 -0.902 17903 2549 1 14 . 1 1 101 101 ILE H H 95 8.672 8.672 7.672 1.000 17903 2550 1 14 . 1 1 102 102 THR HA H 96 3.825 3.825 4.079 -0.254 17903 2551 1 14 . 1 1 102 102 THR H H 96 7.928 7.928 8.200 -0.272 17903 2552 1 14 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.256 -0.275 17903 2553 1 14 . 1 1 103 103 TYR H H 97 7.499 7.499 7.717 -0.218 17903 2554 1 14 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.438 -0.499 17903 2555 1 14 . 1 1 104 104 LEU H H 98 8.853 8.853 7.754 1.099 17903 2556 1 14 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.511 -0.225 17903 2557 1 14 . 1 1 105 105 LYS H H 99 8.294 8.294 8.673 -0.379 17903 2558 1 14 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.936 0.181 17903 2559 1 14 . 1 1 106 106 LYS H H 100 6.365 6.365 7.261 -0.896 17903 2560 1 14 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.949 -0.066 17903 2561 1 14 . 1 1 107 107 ALA H H 101 8.188 8.188 7.227 0.961 17903 2562 1 14 . 1 1 108 108 THR H H 102 6.404 6.404 7.776 -1.372 17903 2563 1 15 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.817 -0.539 17903 2564 1 15 . 1 1 3 3 PHE H H -3 7.737 7.737 7.986 -0.249 17903 2565 1 15 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.239 -0.447 17903 2566 1 15 . 1 1 4 4 LYS H H -2 6.597 6.597 8.613 -2.016 17903 2567 1 15 . 1 1 8 8 SER HA H 2 3.982 3.982 4.869 -0.887 17903 2568 1 15 . 1 1 8 8 SER H H 2 9.365 9.365 8.337 1.028 17903 2569 1 15 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.782 -0.666 17903 2570 1 15 . 1 1 9 9 ALA H H 3 8.961 8.961 8.701 0.260 17903 2571 1 15 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.075 0.250 17903 2572 1 15 . 1 1 10 10 LYS H H 4 8.198 8.198 8.641 -0.443 17903 2573 1 15 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.137 -0.105 17903 2574 1 15 . 1 1 11 11 LYS H H 5 7.710 7.710 8.276 -0.566 17903 2575 1 15 . 1 1 12 12 GLY H H 6 8.619 8.619 8.347 0.272 17903 2576 1 15 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.239 -1.055 17903 2577 1 15 . 1 1 13 13 ALA H H 7 7.907 7.907 8.292 -0.385 17903 2578 1 15 . 1 1 14 14 THR HA H 8 4.095 4.095 4.007 0.088 17903 2579 1 15 . 1 1 14 14 THR H H 8 7.159 7.159 7.531 -0.372 17903 2580 1 15 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.096 -0.352 17903 2581 1 15 . 1 1 15 15 LEU H H 9 7.867 7.867 7.820 0.047 17903 2582 1 15 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.218 -0.440 17903 2583 1 15 . 1 1 16 16 PHE H H 10 8.400 8.400 7.736 0.664 17903 2584 1 15 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.184 0.056 17903 2585 1 15 . 1 1 17 17 LYS H H 11 8.101 8.101 7.668 0.433 17903 2586 1 15 . 1 1 18 18 THR HA H 12 4.240 4.240 4.414 -0.174 17903 2587 1 15 . 1 1 18 18 THR H H 12 7.740 7.740 8.297 -0.557 17903 2588 1 15 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.530 0.027 17903 2589 1 15 . 1 1 19 19 ARG H H 13 8.200 8.200 7.600 0.600 17903 2590 1 15 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.280 -2.806 17903 2591 1 15 . 1 1 20 20 CYS H H 14 7.743 7.743 7.660 0.083 17903 2592 1 15 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.300 1.944 17903 2593 1 15 . 1 1 21 21 LEU H H 15 8.143 8.143 7.873 0.270 17903 2594 1 15 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.054 0.778 17903 2595 1 15 . 1 1 22 22 GLN H H 16 9.961 9.961 7.711 2.250 17903 2596 1 15 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.655 1.006 17903 2597 1 15 . 1 1 23 23 CYS H H 17 9.961 9.961 7.522 2.439 17903 2598 1 15 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.969 3.554 17903 2599 1 15 . 1 1 24 24 HIS H H 18 10.592 10.592 8.627 1.965 17903 2600 1 15 . 1 1 25 25 THR HA H 19 6.076 6.076 4.741 1.335 17903 2601 1 15 . 1 1 25 25 THR H H 19 10.271 10.271 8.662 1.609 17903 2602 1 15 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.546 0.305 17903 2603 1 15 . 1 1 26 26 VAL H H 20 9.167 9.167 8.553 0.614 17903 2604 1 15 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.057 0.411 17903 2605 1 15 . 1 1 27 27 GLU H H 21 9.353 9.353 7.877 1.476 17903 2606 1 15 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.934 -0.137 17903 2607 1 15 . 1 1 28 28 LYS H H 22 9.566 9.566 8.087 1.479 17903 2608 1 15 . 1 1 29 29 GLY H H 23 9.546 9.546 8.785 0.761 17903 2609 1 15 . 1 1 30 30 GLY H H 24 8.353 8.353 8.202 0.151 17903 2610 1 15 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.114 0.443 17903 2611 1 15 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.375 0.481 17903 2612 1 15 . 1 1 33 33 LYS H H 27 8.395 8.395 8.441 -0.046 17903 2613 1 15 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.177 -0.862 17903 2614 1 15 . 1 1 34 34 VAL H H 28 7.759 7.759 7.754 0.005 17903 2615 1 15 . 1 1 35 35 GLY H H 29 7.665 7.665 7.525 0.140 17903 2616 1 15 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.193 -0.259 17903 2617 1 15 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.001 1.159 17903 2618 1 15 . 1 1 37 37 ASN H H 31 9.976 9.976 8.714 1.262 17903 2619 1 15 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.753 0.007 17903 2620 1 15 . 1 1 38 38 LEU H H 32 9.635 9.635 8.551 1.084 17903 2621 1 15 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.673 -0.388 17903 2622 1 15 . 1 1 39 39 HIS H H 33 7.334 7.334 8.806 -1.472 17903 2623 1 15 . 1 1 40 40 GLY H H 34 9.079 9.079 8.653 0.426 17903 2624 1 15 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.828 -0.224 17903 2625 1 15 . 1 1 41 41 ILE H H 35 7.151 7.151 7.993 -0.842 17903 2626 1 15 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.160 -0.016 17903 2627 1 15 . 1 1 42 42 PHE H H 36 7.787 7.787 8.348 -0.561 17903 2628 1 15 . 1 1 43 43 GLY H H 37 8.679 8.679 7.781 0.898 17903 2629 1 15 . 1 1 44 44 ARG H H 38 7.793 7.793 8.225 -0.432 17903 2630 1 15 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.750 0.350 17903 2631 1 15 . 1 1 45 45 HIS H H 39 8.030 8.030 8.863 -0.833 17903 2632 1 15 . 1 1 46 46 SER HA H 40 4.374 4.374 4.188 0.186 17903 2633 1 15 . 1 1 46 46 SER H H 40 8.708 8.708 7.864 0.844 17903 2634 1 15 . 1 1 47 47 GLY H H 41 8.616 8.616 7.886 0.730 17903 2635 1 15 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.562 -0.311 17903 2636 1 15 . 1 1 48 48 GLN H H 42 7.900 7.900 7.734 0.166 17903 2637 1 15 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.795 -0.659 17903 2638 1 15 . 1 1 49 49 ALA H H 43 8.191 8.191 8.556 -0.365 17903 2639 1 15 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.349 -0.204 17903 2640 1 15 . 1 1 50 50 GLU H H 44 8.663 8.663 8.950 -0.287 17903 2641 1 15 . 1 1 51 51 GLY H H 45 7.154 7.154 8.382 -1.228 17903 2642 1 15 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.583 -0.884 17903 2643 1 15 . 1 1 52 52 TYR H H 46 6.933 6.933 7.952 -1.019 17903 2644 1 15 . 1 1 53 53 SER HA H 47 4.100 4.100 4.156 -0.056 17903 2645 1 15 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.072 0.039 17903 2646 1 15 . 1 1 54 54 TYR H H 48 7.563 7.563 8.448 -0.885 17903 2647 1 15 . 1 1 55 55 THR HA H 49 4.265 4.265 4.328 -0.063 17903 2648 1 15 . 1 1 55 55 THR H H 49 7.989 7.989 8.133 -0.144 17903 2649 1 15 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.219 0.097 17903 2650 1 15 . 1 1 56 56 ASP H H 50 8.714 8.714 9.122 -0.408 17903 2651 1 15 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.009 0.111 17903 2652 1 15 . 1 1 57 57 ALA H H 51 8.127 8.127 8.413 -0.286 17903 2653 1 15 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.530 0.129 17903 2654 1 15 . 1 1 58 58 ASN H H 52 8.407 8.407 8.305 0.102 17903 2655 1 15 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.804 -0.107 17903 2656 1 15 . 1 1 59 59 ILE H H 53 7.643 7.643 8.641 -0.998 17903 2657 1 15 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.076 0.030 17903 2658 1 15 . 1 1 60 60 LYS H H 54 8.948 8.948 7.821 1.127 17903 2659 1 15 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.265 -0.229 17903 2660 1 15 . 1 1 61 61 LYS H H 55 7.419 7.419 7.548 -0.129 17903 2661 1 15 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.864 -0.563 17903 2662 1 15 . 1 1 62 62 ASN H H 56 7.414 7.414 8.415 -1.001 17903 2663 1 15 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.936 0.032 17903 2664 1 15 . 1 1 63 63 VAL H H 57 7.776 7.776 8.115 -0.339 17903 2665 1 15 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.389 0.393 17903 2666 1 15 . 1 1 64 64 LEU H H 58 8.402 8.402 7.972 0.430 17903 2667 1 15 . 1 1 65 65 TRP H H 59 7.766 7.766 8.074 -0.308 17903 2668 1 15 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.972 -0.200 17903 2669 1 15 . 1 1 66 66 ASP H H 60 9.950 9.950 8.341 1.609 17903 2670 1 15 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.962 -0.662 17903 2671 1 15 . 1 1 67 67 GLU H H 61 10.010 10.010 8.859 1.151 17903 2672 1 15 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.465 0.102 17903 2673 1 15 . 1 1 68 68 ASN H H 62 8.207 8.207 8.491 -0.284 17903 2674 1 15 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.362 0.101 17903 2675 1 15 . 1 1 69 69 ASN H H 63 9.442 9.442 8.290 1.152 17903 2676 1 15 . 1 1 70 70 MET HA H 64 4.330 4.330 3.848 0.482 17903 2677 1 15 . 1 1 70 70 MET H H 64 8.891 8.891 8.806 0.085 17903 2678 1 15 . 1 1 71 71 SER HA H 65 3.572 3.572 4.011 -0.439 17903 2679 1 15 . 1 1 71 71 SER H H 65 7.660 7.660 7.630 0.030 17903 2680 1 15 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.125 -0.215 17903 2681 1 15 . 1 1 72 72 GLU H H 66 7.657 7.657 7.506 0.151 17903 2682 1 15 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.312 0.084 17903 2683 1 15 . 1 1 73 73 TYR H H 67 8.935 8.935 7.342 1.593 17903 2684 1 15 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.781 -0.029 17903 2685 1 15 . 1 1 74 74 LEU H H 68 8.189 8.189 8.191 -0.002 17903 2686 1 15 . 1 1 75 75 THR HA H 69 3.851 3.851 3.947 -0.096 17903 2687 1 15 . 1 1 75 75 THR H H 69 7.421 7.421 7.491 -0.070 17903 2688 1 15 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.968 0.033 17903 2689 1 15 . 1 1 76 76 ASN H H 70 6.632 6.632 7.498 -0.866 17903 2690 1 15 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.585 6.686 17903 2691 1 15 . 1 1 77 77 HIS H H 71 11.262 11.262 9.087 2.175 17903 2692 1 15 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.594 1.631 17903 2693 1 15 . 1 1 78 78 ALA H H 72 9.567 9.567 6.973 2.594 17903 2694 1 15 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.012 0.449 17903 2695 1 15 . 1 1 79 79 LYS H H 73 8.017 8.017 7.596 0.421 17903 2696 1 15 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.667 -0.454 17903 2697 1 15 . 1 1 80 80 TYR H H 74 8.270 8.270 8.392 -0.122 17903 2698 1 15 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.616 0.139 17903 2699 1 15 . 1 1 81 81 ILE H H 75 9.605 9.605 7.309 2.296 17903 2700 1 15 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.491 1.024 17903 2701 1 15 . 1 1 83 83 GLY H H 77 9.364 9.364 8.673 0.691 17903 2702 1 15 . 1 1 84 84 THR HA H 78 5.970 5.970 4.433 1.537 17903 2703 1 15 . 1 1 84 84 THR H H 78 8.938 8.938 7.959 0.979 17903 2704 1 15 . 1 1 85 85 LYS H H 79 8.058 8.058 8.477 -0.419 17903 2705 1 15 . 1 1 86 86 MET HA H 80 4.582 4.582 4.706 -0.124 17903 2706 1 15 . 1 1 86 86 MET H H 80 8.681 8.681 8.224 0.457 17903 2707 1 15 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.298 0.864 17903 2708 1 15 . 1 1 87 87 ALA H H 81 8.014 8.014 8.581 -0.567 17903 2709 1 15 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.113 0.311 17903 2710 1 15 . 1 1 88 88 PHE H H 82 8.708 8.708 7.935 0.773 17903 2711 1 15 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.726 -0.734 17903 2712 1 15 . 1 1 91 91 LEU H H 85 8.409 8.409 8.318 0.091 17903 2713 1 15 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.097 -0.127 17903 2714 1 15 . 1 1 92 92 LYS H H 86 8.165 8.165 8.153 0.012 17903 2715 1 15 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.262 0.063 17903 2716 1 15 . 1 1 93 93 LYS H H 87 8.256 8.256 7.957 0.299 17903 2717 1 15 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.018 -0.683 17903 2718 1 15 . 1 1 94 94 GLU H H 88 8.436 8.436 9.063 -0.627 17903 2719 1 15 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.078 -0.238 17903 2720 1 15 . 1 1 95 95 LYS H H 89 8.711 8.711 8.344 0.367 17903 2721 1 15 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.446 -0.384 17903 2722 1 15 . 1 1 96 96 ASP H H 90 6.317 6.317 7.773 -1.456 17903 2723 1 15 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.938 -0.522 17903 2724 1 15 . 1 1 97 97 ARG H H 91 7.422 7.422 7.909 -0.487 17903 2725 1 15 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.751 -0.913 17903 2726 1 15 . 1 1 98 98 ASN H H 92 8.486 8.486 8.614 -0.128 17903 2727 1 15 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.750 -0.731 17903 2728 1 15 . 1 1 99 99 ASP H H 93 8.620 8.620 8.499 0.121 17903 2729 1 15 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.158 -0.522 17903 2730 1 15 . 1 1 100 100 LEU H H 94 8.189 8.189 8.544 -0.355 17903 2731 1 15 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.713 -0.887 17903 2732 1 15 . 1 1 101 101 ILE H H 95 8.672 8.672 7.689 0.983 17903 2733 1 15 . 1 1 102 102 THR HA H 96 3.825 3.825 4.085 -0.260 17903 2734 1 15 . 1 1 102 102 THR H H 96 7.928 7.928 8.118 -0.190 17903 2735 1 15 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.255 -0.274 17903 2736 1 15 . 1 1 103 103 TYR H H 97 7.499 7.499 7.809 -0.310 17903 2737 1 15 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.432 -0.493 17903 2738 1 15 . 1 1 104 104 LEU H H 98 8.853 8.853 8.008 0.845 17903 2739 1 15 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.519 -0.233 17903 2740 1 15 . 1 1 105 105 LYS H H 99 8.294 8.294 8.549 -0.255 17903 2741 1 15 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.101 0.016 17903 2742 1 15 . 1 1 106 106 LYS H H 100 6.365 6.365 7.454 -1.089 17903 2743 1 15 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.985 -0.102 17903 2744 1 15 . 1 1 107 107 ALA H H 101 8.188 8.188 7.705 0.483 17903 2745 1 15 . 1 1 108 108 THR H H 102 6.404 6.404 7.829 -1.425 17903 2746 1 16 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.865 -0.587 17903 2747 1 16 . 1 1 3 3 PHE H H -3 7.737 7.737 7.774 -0.037 17903 2748 1 16 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.300 -0.508 17903 2749 1 16 . 1 1 4 4 LYS H H -2 6.597 6.597 8.621 -2.024 17903 2750 1 16 . 1 1 8 8 SER HA H 2 3.982 3.982 4.810 -0.828 17903 2751 1 16 . 1 1 8 8 SER H H 2 9.365 9.365 8.546 0.819 17903 2752 1 16 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.295 -0.179 17903 2753 1 16 . 1 1 9 9 ALA H H 3 8.961 8.961 8.960 0.001 17903 2754 1 16 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.054 0.271 17903 2755 1 16 . 1 1 10 10 LYS H H 4 8.198 8.198 8.494 -0.296 17903 2756 1 16 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.119 -0.087 17903 2757 1 16 . 1 1 11 11 LYS H H 5 7.710 7.710 7.754 -0.044 17903 2758 1 16 . 1 1 12 12 GLY H H 6 8.619 8.619 7.934 0.685 17903 2759 1 16 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.912 -0.728 17903 2760 1 16 . 1 1 13 13 ALA H H 7 7.907 7.907 7.974 -0.067 17903 2761 1 16 . 1 1 14 14 THR HA H 8 4.095 4.095 3.996 0.099 17903 2762 1 16 . 1 1 14 14 THR H H 8 7.159 7.159 7.461 -0.302 17903 2763 1 16 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.056 -0.312 17903 2764 1 16 . 1 1 15 15 LEU H H 9 7.867 7.867 7.836 0.031 17903 2765 1 16 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.276 -0.498 17903 2766 1 16 . 1 1 16 16 PHE H H 10 8.400 8.400 7.792 0.608 17903 2767 1 16 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.158 0.082 17903 2768 1 16 . 1 1 17 17 LYS H H 11 8.101 8.101 7.611 0.490 17903 2769 1 16 . 1 1 18 18 THR HA H 12 4.240 4.240 4.406 -0.166 17903 2770 1 16 . 1 1 18 18 THR H H 12 7.740 7.740 8.307 -0.567 17903 2771 1 16 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.579 -0.022 17903 2772 1 16 . 1 1 19 19 ARG H H 13 8.200 8.200 7.539 0.661 17903 2773 1 16 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.359 -2.885 17903 2774 1 16 . 1 1 20 20 CYS H H 14 7.743 7.743 7.600 0.143 17903 2775 1 16 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.339 1.905 17903 2776 1 16 . 1 1 21 21 LEU H H 15 8.143 8.143 8.101 0.042 17903 2777 1 16 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.028 0.804 17903 2778 1 16 . 1 1 22 22 GLN H H 16 9.961 9.961 7.845 2.116 17903 2779 1 16 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.692 0.969 17903 2780 1 16 . 1 1 23 23 CYS H H 17 9.961 9.961 7.555 2.406 17903 2781 1 16 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.148 3.375 17903 2782 1 16 . 1 1 24 24 HIS H H 18 10.592 10.592 8.642 1.950 17903 2783 1 16 . 1 1 25 25 THR HA H 19 6.076 6.076 4.743 1.333 17903 2784 1 16 . 1 1 25 25 THR H H 19 10.271 10.271 8.591 1.680 17903 2785 1 16 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.388 0.463 17903 2786 1 16 . 1 1 26 26 VAL H H 20 9.167 9.167 8.608 0.559 17903 2787 1 16 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.876 0.592 17903 2788 1 16 . 1 1 27 27 GLU H H 21 9.353 9.353 7.787 1.566 17903 2789 1 16 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.176 -0.379 17903 2790 1 16 . 1 1 28 28 LYS H H 22 9.566 9.566 8.428 1.138 17903 2791 1 16 . 1 1 29 29 GLY H H 23 9.546 9.546 8.678 0.868 17903 2792 1 16 . 1 1 30 30 GLY H H 24 8.353 8.353 7.588 0.765 17903 2793 1 16 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.099 0.458 17903 2794 1 16 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.416 0.440 17903 2795 1 16 . 1 1 33 33 LYS H H 27 8.395 8.395 8.435 -0.040 17903 2796 1 16 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.182 -0.867 17903 2797 1 16 . 1 1 34 34 VAL H H 28 7.759 7.759 7.883 -0.124 17903 2798 1 16 . 1 1 35 35 GLY H H 29 7.665 7.665 7.443 0.222 17903 2799 1 16 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.183 -0.249 17903 2800 1 16 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.319 0.841 17903 2801 1 16 . 1 1 37 37 ASN H H 31 9.976 9.976 8.868 1.108 17903 2802 1 16 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.740 0.020 17903 2803 1 16 . 1 1 38 38 LEU H H 32 9.635 9.635 8.347 1.288 17903 2804 1 16 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.622 -0.337 17903 2805 1 16 . 1 1 39 39 HIS H H 33 7.334 7.334 8.602 -1.268 17903 2806 1 16 . 1 1 40 40 GLY H H 34 9.079 9.079 8.849 0.230 17903 2807 1 16 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.985 -0.381 17903 2808 1 16 . 1 1 41 41 ILE H H 35 7.151 7.151 7.694 -0.543 17903 2809 1 16 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.149 -0.005 17903 2810 1 16 . 1 1 42 42 PHE H H 36 7.787 7.787 8.196 -0.409 17903 2811 1 16 . 1 1 43 43 GLY H H 37 8.679 8.679 8.155 0.524 17903 2812 1 16 . 1 1 44 44 ARG H H 38 7.793 7.793 8.208 -0.415 17903 2813 1 16 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.693 0.407 17903 2814 1 16 . 1 1 45 45 HIS H H 39 8.030 8.030 8.952 -0.922 17903 2815 1 16 . 1 1 46 46 SER HA H 40 4.374 4.374 4.153 0.221 17903 2816 1 16 . 1 1 46 46 SER H H 40 8.708 8.708 7.870 0.838 17903 2817 1 16 . 1 1 47 47 GLY H H 41 8.616 8.616 7.949 0.667 17903 2818 1 16 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.608 -0.357 17903 2819 1 16 . 1 1 48 48 GLN H H 42 7.900 7.900 7.541 0.359 17903 2820 1 16 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.665 -0.529 17903 2821 1 16 . 1 1 49 49 ALA H H 43 8.191 8.191 8.505 -0.314 17903 2822 1 16 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.040 0.105 17903 2823 1 16 . 1 1 50 50 GLU H H 44 8.663 8.663 8.747 -0.084 17903 2824 1 16 . 1 1 51 51 GLY H H 45 7.154 7.154 8.668 -1.514 17903 2825 1 16 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.462 -0.763 17903 2826 1 16 . 1 1 52 52 TYR H H 46 6.933 6.933 7.115 -0.182 17903 2827 1 16 . 1 1 53 53 SER HA H 47 4.100 4.100 4.242 -0.142 17903 2828 1 16 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.071 0.040 17903 2829 1 16 . 1 1 54 54 TYR H H 48 7.563 7.563 8.459 -0.896 17903 2830 1 16 . 1 1 55 55 THR HA H 49 4.265 4.265 4.407 -0.142 17903 2831 1 16 . 1 1 55 55 THR H H 49 7.989 7.989 8.173 -0.184 17903 2832 1 16 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.219 0.097 17903 2833 1 16 . 1 1 56 56 ASP H H 50 8.714 8.714 9.004 -0.290 17903 2834 1 16 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.010 0.110 17903 2835 1 16 . 1 1 57 57 ALA H H 51 8.127 8.127 8.461 -0.334 17903 2836 1 16 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.494 0.165 17903 2837 1 16 . 1 1 58 58 ASN H H 52 8.407 8.407 8.235 0.172 17903 2838 1 16 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.808 -0.111 17903 2839 1 16 . 1 1 59 59 ILE H H 53 7.643 7.643 8.493 -0.850 17903 2840 1 16 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.065 0.041 17903 2841 1 16 . 1 1 60 60 LYS H H 54 8.948 8.948 7.787 1.161 17903 2842 1 16 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.304 -0.268 17903 2843 1 16 . 1 1 61 61 LYS H H 55 7.419 7.419 7.513 -0.094 17903 2844 1 16 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.852 -0.551 17903 2845 1 16 . 1 1 62 62 ASN H H 56 7.414 7.414 8.446 -1.032 17903 2846 1 16 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.977 -0.009 17903 2847 1 16 . 1 1 63 63 VAL H H 57 7.776 7.776 8.132 -0.356 17903 2848 1 16 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.362 0.420 17903 2849 1 16 . 1 1 64 64 LEU H H 58 8.402 8.402 8.020 0.382 17903 2850 1 16 . 1 1 65 65 TRP H H 59 7.766 7.766 8.684 -0.918 17903 2851 1 16 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.808 -0.036 17903 2852 1 16 . 1 1 66 66 ASP H H 60 9.950 9.950 8.181 1.769 17903 2853 1 16 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.928 -0.628 17903 2854 1 16 . 1 1 67 67 GLU H H 61 10.010 10.010 8.833 1.177 17903 2855 1 16 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.591 -0.024 17903 2856 1 16 . 1 1 68 68 ASN H H 62 8.207 8.207 8.582 -0.375 17903 2857 1 16 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.473 -0.010 17903 2858 1 16 . 1 1 69 69 ASN H H 63 9.442 9.442 8.108 1.334 17903 2859 1 16 . 1 1 70 70 MET HA H 64 4.330 4.330 3.777 0.553 17903 2860 1 16 . 1 1 70 70 MET H H 64 8.891 8.891 8.846 0.045 17903 2861 1 16 . 1 1 71 71 SER HA H 65 3.572 3.572 4.030 -0.458 17903 2862 1 16 . 1 1 71 71 SER H H 65 7.660 7.660 7.710 -0.050 17903 2863 1 16 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.079 -0.169 17903 2864 1 16 . 1 1 72 72 GLU H H 66 7.657 7.657 7.658 -0.001 17903 2865 1 16 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.231 0.165 17903 2866 1 16 . 1 1 73 73 TYR H H 67 8.935 8.935 7.360 1.575 17903 2867 1 16 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.773 -0.021 17903 2868 1 16 . 1 1 74 74 LEU H H 68 8.189 8.189 8.031 0.158 17903 2869 1 16 . 1 1 75 75 THR HA H 69 3.851 3.851 3.897 -0.046 17903 2870 1 16 . 1 1 75 75 THR H H 69 7.421 7.421 7.585 -0.164 17903 2871 1 16 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.722 0.280 17903 2872 1 16 . 1 1 76 76 ASN H H 70 6.632 6.632 7.717 -1.085 17903 2873 1 16 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.023 6.248 17903 2874 1 16 . 1 1 77 77 HIS H H 71 11.262 11.262 8.511 2.751 17903 2875 1 16 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.519 1.706 17903 2876 1 16 . 1 1 78 78 ALA H H 72 9.567 9.567 7.907 1.660 17903 2877 1 16 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.966 0.495 17903 2878 1 16 . 1 1 79 79 LYS H H 73 8.017 8.017 8.155 -0.138 17903 2879 1 16 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.371 -0.158 17903 2880 1 16 . 1 1 80 80 TYR H H 74 8.270 8.270 8.132 0.138 17903 2881 1 16 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.596 0.159 17903 2882 1 16 . 1 1 81 81 ILE H H 75 9.605 9.605 7.802 1.803 17903 2883 1 16 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.509 1.006 17903 2884 1 16 . 1 1 83 83 GLY H H 77 9.364 9.364 8.794 0.570 17903 2885 1 16 . 1 1 84 84 THR HA H 78 5.970 5.970 4.619 1.351 17903 2886 1 16 . 1 1 84 84 THR H H 78 8.938 8.938 7.557 1.381 17903 2887 1 16 . 1 1 85 85 LYS H H 79 8.058 8.058 8.670 -0.612 17903 2888 1 16 . 1 1 86 86 MET HA H 80 4.582 4.582 4.677 -0.095 17903 2889 1 16 . 1 1 86 86 MET H H 80 8.681 8.681 8.208 0.473 17903 2890 1 16 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.322 0.840 17903 2891 1 16 . 1 1 87 87 ALA H H 81 8.014 8.014 8.655 -0.641 17903 2892 1 16 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.624 -0.200 17903 2893 1 16 . 1 1 88 88 PHE H H 82 8.708 8.708 7.909 0.799 17903 2894 1 16 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.457 -0.465 17903 2895 1 16 . 1 1 91 91 LEU H H 85 8.409 8.409 8.695 -0.286 17903 2896 1 16 . 1 1 92 92 LYS HA H 86 3.970 3.970 3.984 -0.014 17903 2897 1 16 . 1 1 92 92 LYS H H 86 8.165 8.165 8.284 -0.119 17903 2898 1 16 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.186 0.139 17903 2899 1 16 . 1 1 93 93 LYS H H 87 8.256 8.256 7.657 0.599 17903 2900 1 16 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.033 -0.698 17903 2901 1 16 . 1 1 94 94 GLU H H 88 8.436 8.436 9.065 -0.629 17903 2902 1 16 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.054 -0.214 17903 2903 1 16 . 1 1 95 95 LYS H H 89 8.711 8.711 8.336 0.375 17903 2904 1 16 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.504 -0.442 17903 2905 1 16 . 1 1 96 96 ASP H H 90 6.317 6.317 7.889 -1.572 17903 2906 1 16 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.905 -0.489 17903 2907 1 16 . 1 1 97 97 ARG H H 91 7.422 7.422 7.961 -0.539 17903 2908 1 16 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.674 -0.836 17903 2909 1 16 . 1 1 98 98 ASN H H 92 8.486 8.486 8.608 -0.122 17903 2910 1 16 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.515 -0.496 17903 2911 1 16 . 1 1 99 99 ASP H H 93 8.620 8.620 8.211 0.409 17903 2912 1 16 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.051 -0.415 17903 2913 1 16 . 1 1 100 100 LEU H H 94 8.189 8.189 8.410 -0.221 17903 2914 1 16 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.610 -0.784 17903 2915 1 16 . 1 1 101 101 ILE H H 95 8.672 8.672 7.630 1.042 17903 2916 1 16 . 1 1 102 102 THR HA H 96 3.825 3.825 4.102 -0.277 17903 2917 1 16 . 1 1 102 102 THR H H 96 7.928 7.928 8.039 -0.111 17903 2918 1 16 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.308 -0.327 17903 2919 1 16 . 1 1 103 103 TYR H H 97 7.499 7.499 7.772 -0.273 17903 2920 1 16 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.484 -0.545 17903 2921 1 16 . 1 1 104 104 LEU H H 98 8.853 8.853 8.889 -0.036 17903 2922 1 16 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.305 -0.019 17903 2923 1 16 . 1 1 105 105 LYS H H 99 8.294 8.294 8.300 -0.006 17903 2924 1 16 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.903 0.214 17903 2925 1 16 . 1 1 106 106 LYS H H 100 6.365 6.365 7.207 -0.842 17903 2926 1 16 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.952 -0.069 17903 2927 1 16 . 1 1 107 107 ALA H H 101 8.188 8.188 7.432 0.756 17903 2928 1 16 . 1 1 108 108 THR H H 102 6.404 6.404 7.720 -1.316 17903 2929 1 17 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.469 -0.191 17903 2930 1 17 . 1 1 3 3 PHE H H -3 7.737 7.737 8.033 -0.296 17903 2931 1 17 . 1 1 4 4 LYS HA H -2 3.792 3.792 3.618 0.174 17903 2932 1 17 . 1 1 4 4 LYS H H -2 6.597 6.597 7.058 -0.461 17903 2933 1 17 . 1 1 8 8 SER HA H 2 3.982 3.982 4.788 -0.806 17903 2934 1 17 . 1 1 8 8 SER H H 2 9.365 9.365 8.935 0.430 17903 2935 1 17 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.310 -0.194 17903 2936 1 17 . 1 1 9 9 ALA H H 3 8.961 8.961 8.967 -0.006 17903 2937 1 17 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.030 0.295 17903 2938 1 17 . 1 1 10 10 LYS H H 4 8.198 8.198 8.411 -0.213 17903 2939 1 17 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.118 -0.086 17903 2940 1 17 . 1 1 11 11 LYS H H 5 7.710 7.710 7.482 0.228 17903 2941 1 17 . 1 1 12 12 GLY H H 6 8.619 8.619 8.158 0.461 17903 2942 1 17 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.990 -0.806 17903 2943 1 17 . 1 1 13 13 ALA H H 7 7.907 7.907 8.249 -0.342 17903 2944 1 17 . 1 1 14 14 THR HA H 8 4.095 4.095 4.012 0.083 17903 2945 1 17 . 1 1 14 14 THR H H 8 7.159 7.159 7.611 -0.452 17903 2946 1 17 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.068 -0.324 17903 2947 1 17 . 1 1 15 15 LEU H H 9 7.867 7.867 8.240 -0.373 17903 2948 1 17 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.116 -0.338 17903 2949 1 17 . 1 1 16 16 PHE H H 10 8.400 8.400 7.792 0.608 17903 2950 1 17 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.127 0.113 17903 2951 1 17 . 1 1 17 17 LYS H H 11 8.101 8.101 7.616 0.485 17903 2952 1 17 . 1 1 18 18 THR HA H 12 4.240 4.240 4.322 -0.082 17903 2953 1 17 . 1 1 18 18 THR H H 12 7.740 7.740 8.135 -0.395 17903 2954 1 17 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.436 0.121 17903 2955 1 17 . 1 1 19 19 ARG H H 13 8.200 8.200 7.590 0.610 17903 2956 1 17 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.234 -2.760 17903 2957 1 17 . 1 1 20 20 CYS H H 14 7.743 7.743 8.048 -0.305 17903 2958 1 17 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.337 1.907 17903 2959 1 17 . 1 1 21 21 LEU H H 15 8.143 8.143 7.892 0.251 17903 2960 1 17 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.003 0.829 17903 2961 1 17 . 1 1 22 22 GLN H H 16 9.961 9.961 7.756 2.205 17903 2962 1 17 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.681 0.980 17903 2963 1 17 . 1 1 23 23 CYS H H 17 9.961 9.961 7.444 2.517 17903 2964 1 17 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.971 3.552 17903 2965 1 17 . 1 1 24 24 HIS H H 18 10.592 10.592 8.540 2.052 17903 2966 1 17 . 1 1 25 25 THR HA H 19 6.076 6.076 4.639 1.437 17903 2967 1 17 . 1 1 25 25 THR H H 19 10.271 10.271 8.591 1.680 17903 2968 1 17 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.849 1.002 17903 2969 1 17 . 1 1 26 26 VAL H H 20 9.167 9.167 8.540 0.627 17903 2970 1 17 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.080 0.389 17903 2971 1 17 . 1 1 27 27 GLU H H 21 9.353 9.353 7.914 1.439 17903 2972 1 17 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.222 -0.425 17903 2973 1 17 . 1 1 28 28 LYS H H 22 9.566 9.566 8.348 1.218 17903 2974 1 17 . 1 1 29 29 GLY H H 23 9.546 9.546 8.774 0.772 17903 2975 1 17 . 1 1 30 30 GLY H H 24 8.353 8.353 7.562 0.791 17903 2976 1 17 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.151 0.406 17903 2977 1 17 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.366 0.490 17903 2978 1 17 . 1 1 33 33 LYS H H 27 8.395 8.395 8.306 0.089 17903 2979 1 17 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.108 -0.793 17903 2980 1 17 . 1 1 34 34 VAL H H 28 7.759 7.759 8.203 -0.444 17903 2981 1 17 . 1 1 35 35 GLY H H 29 7.665 7.665 7.738 -0.073 17903 2982 1 17 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.511 -0.577 17903 2983 1 17 . 1 1 37 37 ASN HA H 31 6.160 6.160 4.856 1.304 17903 2984 1 17 . 1 1 37 37 ASN H H 31 9.976 9.976 8.590 1.386 17903 2985 1 17 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.013 0.747 17903 2986 1 17 . 1 1 38 38 LEU H H 32 9.635 9.635 7.886 1.749 17903 2987 1 17 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.284 0.001 17903 2988 1 17 . 1 1 39 39 HIS H H 33 7.334 7.334 8.475 -1.141 17903 2989 1 17 . 1 1 40 40 GLY H H 34 9.079 9.079 8.655 0.424 17903 2990 1 17 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.141 -0.537 17903 2991 1 17 . 1 1 41 41 ILE H H 35 7.151 7.151 7.682 -0.531 17903 2992 1 17 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.116 0.028 17903 2993 1 17 . 1 1 42 42 PHE H H 36 7.787 7.787 7.874 -0.087 17903 2994 1 17 . 1 1 43 43 GLY H H 37 8.679 8.679 8.347 0.332 17903 2995 1 17 . 1 1 44 44 ARG H H 38 7.793 7.793 8.004 -0.211 17903 2996 1 17 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.690 0.410 17903 2997 1 17 . 1 1 45 45 HIS H H 39 8.030 8.030 8.502 -0.472 17903 2998 1 17 . 1 1 46 46 SER HA H 40 4.374 4.374 4.358 0.016 17903 2999 1 17 . 1 1 46 46 SER H H 40 8.708 8.708 7.647 1.061 17903 3000 1 17 . 1 1 47 47 GLY H H 41 8.616 8.616 8.068 0.548 17903 3001 1 17 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.637 -0.386 17903 3002 1 17 . 1 1 48 48 GLN H H 42 7.900 7.900 7.625 0.275 17903 3003 1 17 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.709 -0.573 17903 3004 1 17 . 1 1 49 49 ALA H H 43 8.191 8.191 8.550 -0.359 17903 3005 1 17 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.060 0.085 17903 3006 1 17 . 1 1 50 50 GLU H H 44 8.663 8.663 8.895 -0.232 17903 3007 1 17 . 1 1 51 51 GLY H H 45 7.154 7.154 8.616 -1.462 17903 3008 1 17 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.323 -0.624 17903 3009 1 17 . 1 1 52 52 TYR H H 46 6.933 6.933 7.452 -0.519 17903 3010 1 17 . 1 1 53 53 SER HA H 47 4.100 4.100 4.182 -0.082 17903 3011 1 17 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.078 0.033 17903 3012 1 17 . 1 1 54 54 TYR H H 48 7.563 7.563 8.195 -0.632 17903 3013 1 17 . 1 1 55 55 THR HA H 49 4.265 4.265 4.372 -0.107 17903 3014 1 17 . 1 1 55 55 THR H H 49 7.989 7.989 8.245 -0.256 17903 3015 1 17 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.225 0.091 17903 3016 1 17 . 1 1 56 56 ASP H H 50 8.714 8.714 9.029 -0.315 17903 3017 1 17 . 1 1 57 57 ALA HA H 51 4.120 4.120 3.993 0.127 17903 3018 1 17 . 1 1 57 57 ALA H H 51 8.127 8.127 8.466 -0.339 17903 3019 1 17 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.487 0.172 17903 3020 1 17 . 1 1 58 58 ASN H H 52 8.407 8.407 8.234 0.173 17903 3021 1 17 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.830 -0.133 17903 3022 1 17 . 1 1 59 59 ILE H H 53 7.643 7.643 8.374 -0.731 17903 3023 1 17 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.077 0.029 17903 3024 1 17 . 1 1 60 60 LYS H H 54 8.948 8.948 8.053 0.895 17903 3025 1 17 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.321 -0.285 17903 3026 1 17 . 1 1 61 61 LYS H H 55 7.419 7.419 8.091 -0.672 17903 3027 1 17 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.771 -0.470 17903 3028 1 17 . 1 1 62 62 ASN H H 56 7.414 7.414 8.230 -0.816 17903 3029 1 17 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.112 -0.144 17903 3030 1 17 . 1 1 63 63 VAL H H 57 7.776 7.776 8.076 -0.300 17903 3031 1 17 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.257 0.525 17903 3032 1 17 . 1 1 64 64 LEU H H 58 8.402 8.402 7.964 0.438 17903 3033 1 17 . 1 1 65 65 TRP H H 59 7.766 7.766 8.169 -0.403 17903 3034 1 17 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.758 0.014 17903 3035 1 17 . 1 1 66 66 ASP H H 60 9.950 9.950 8.203 1.747 17903 3036 1 17 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.929 -0.629 17903 3037 1 17 . 1 1 67 67 GLU H H 61 10.010 10.010 8.744 1.266 17903 3038 1 17 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.526 0.041 17903 3039 1 17 . 1 1 68 68 ASN H H 62 8.207 8.207 8.354 -0.147 17903 3040 1 17 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.339 0.124 17903 3041 1 17 . 1 1 69 69 ASN H H 63 9.442 9.442 8.196 1.246 17903 3042 1 17 . 1 1 70 70 MET HA H 64 4.330 4.330 3.779 0.551 17903 3043 1 17 . 1 1 70 70 MET H H 64 8.891 8.891 8.645 0.246 17903 3044 1 17 . 1 1 71 71 SER HA H 65 3.572 3.572 4.143 -0.571 17903 3045 1 17 . 1 1 71 71 SER H H 65 7.660 7.660 7.740 -0.080 17903 3046 1 17 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.085 -0.174 17903 3047 1 17 . 1 1 72 72 GLU H H 66 7.657 7.657 7.574 0.083 17903 3048 1 17 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.286 0.110 17903 3049 1 17 . 1 1 73 73 TYR H H 67 8.935 8.935 7.340 1.595 17903 3050 1 17 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.866 -0.114 17903 3051 1 17 . 1 1 74 74 LEU H H 68 8.189 8.189 7.957 0.232 17903 3052 1 17 . 1 1 75 75 THR HA H 69 3.851 3.851 4.220 -0.369 17903 3053 1 17 . 1 1 75 75 THR H H 69 7.421 7.421 7.475 -0.054 17903 3054 1 17 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.825 0.177 17903 3055 1 17 . 1 1 76 76 ASN H H 70 6.632 6.632 7.574 -0.942 17903 3056 1 17 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.917 6.354 17903 3057 1 17 . 1 1 77 77 HIS H H 71 11.262 11.262 8.505 2.757 17903 3058 1 17 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.241 1.984 17903 3059 1 17 . 1 1 78 78 ALA H H 72 9.567 9.567 8.550 1.017 17903 3060 1 17 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.998 0.463 17903 3061 1 17 . 1 1 79 79 LYS H H 73 8.017 8.017 7.189 0.828 17903 3062 1 17 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.512 -0.299 17903 3063 1 17 . 1 1 80 80 TYR H H 74 8.270 8.270 8.550 -0.280 17903 3064 1 17 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.602 0.153 17903 3065 1 17 . 1 1 81 81 ILE H H 75 9.605 9.605 7.485 2.120 17903 3066 1 17 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.610 0.905 17903 3067 1 17 . 1 1 83 83 GLY H H 77 9.364 9.364 8.778 0.586 17903 3068 1 17 . 1 1 84 84 THR HA H 78 5.970 5.970 4.549 1.421 17903 3069 1 17 . 1 1 84 84 THR H H 78 8.938 8.938 7.528 1.410 17903 3070 1 17 . 1 1 85 85 LYS H H 79 8.058 8.058 8.630 -0.572 17903 3071 1 17 . 1 1 86 86 MET HA H 80 4.582 4.582 4.699 -0.117 17903 3072 1 17 . 1 1 86 86 MET H H 80 8.681 8.681 8.178 0.503 17903 3073 1 17 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.302 0.860 17903 3074 1 17 . 1 1 87 87 ALA H H 81 8.014 8.014 8.710 -0.696 17903 3075 1 17 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.264 0.160 17903 3076 1 17 . 1 1 88 88 PHE H H 82 8.708 8.708 7.517 1.191 17903 3077 1 17 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.329 -0.337 17903 3078 1 17 . 1 1 91 91 LEU H H 85 8.409 8.409 8.729 -0.320 17903 3079 1 17 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.034 -0.064 17903 3080 1 17 . 1 1 92 92 LYS H H 86 8.165 8.165 8.436 -0.271 17903 3081 1 17 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.336 -0.011 17903 3082 1 17 . 1 1 93 93 LYS H H 87 8.256 8.256 7.896 0.360 17903 3083 1 17 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.984 -0.649 17903 3084 1 17 . 1 1 94 94 GLU H H 88 8.436 8.436 9.058 -0.622 17903 3085 1 17 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.991 -0.151 17903 3086 1 17 . 1 1 95 95 LYS H H 89 8.711 8.711 8.365 0.346 17903 3087 1 17 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.469 -0.407 17903 3088 1 17 . 1 1 96 96 ASP H H 90 6.317 6.317 7.874 -1.557 17903 3089 1 17 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.987 -0.571 17903 3090 1 17 . 1 1 97 97 ARG H H 91 7.422 7.422 7.491 -0.069 17903 3091 1 17 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.763 -0.925 17903 3092 1 17 . 1 1 98 98 ASN H H 92 8.486 8.486 8.515 -0.029 17903 3093 1 17 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.487 -0.468 17903 3094 1 17 . 1 1 99 99 ASP H H 93 8.620 8.620 8.227 0.393 17903 3095 1 17 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.052 -0.416 17903 3096 1 17 . 1 1 100 100 LEU H H 94 8.189 8.189 8.424 -0.235 17903 3097 1 17 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.611 -0.785 17903 3098 1 17 . 1 1 101 101 ILE H H 95 8.672 8.672 7.705 0.967 17903 3099 1 17 . 1 1 102 102 THR HA H 96 3.825 3.825 3.930 -0.105 17903 3100 1 17 . 1 1 102 102 THR H H 96 7.928 7.928 7.913 0.015 17903 3101 1 17 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.273 -0.292 17903 3102 1 17 . 1 1 103 103 TYR H H 97 7.499 7.499 7.723 -0.224 17903 3103 1 17 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.485 -0.546 17903 3104 1 17 . 1 1 104 104 LEU H H 98 8.853 8.853 8.954 -0.101 17903 3105 1 17 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.134 0.152 17903 3106 1 17 . 1 1 105 105 LYS H H 99 8.294 8.294 7.968 0.326 17903 3107 1 17 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.890 0.227 17903 3108 1 17 . 1 1 106 106 LYS H H 100 6.365 6.365 7.196 -0.831 17903 3109 1 17 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.971 -0.088 17903 3110 1 17 . 1 1 107 107 ALA H H 101 8.188 8.188 7.678 0.510 17903 3111 1 17 . 1 1 108 108 THR H H 102 6.404 6.404 7.699 -1.295 17903 3112 1 18 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.754 -0.476 17903 3113 1 18 . 1 1 3 3 PHE H H -3 7.737 7.737 8.008 -0.271 17903 3114 1 18 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.536 -0.744 17903 3115 1 18 . 1 1 4 4 LYS H H -2 6.597 6.597 8.762 -2.165 17903 3116 1 18 . 1 1 8 8 SER HA H 2 3.982 3.982 4.795 -0.813 17903 3117 1 18 . 1 1 8 8 SER H H 2 9.365 9.365 8.213 1.152 17903 3118 1 18 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.230 -0.114 17903 3119 1 18 . 1 1 9 9 ALA H H 3 8.961 8.961 8.902 0.059 17903 3120 1 18 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.084 0.241 17903 3121 1 18 . 1 1 10 10 LYS H H 4 8.198 8.198 8.660 -0.462 17903 3122 1 18 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.142 -0.110 17903 3123 1 18 . 1 1 11 11 LYS H H 5 7.710 7.710 8.186 -0.476 17903 3124 1 18 . 1 1 12 12 GLY H H 6 8.619 8.619 8.295 0.324 17903 3125 1 18 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.358 -1.174 17903 3126 1 18 . 1 1 13 13 ALA H H 7 7.907 7.907 8.242 -0.335 17903 3127 1 18 . 1 1 14 14 THR HA H 8 4.095 4.095 4.010 0.085 17903 3128 1 18 . 1 1 14 14 THR H H 8 7.159 7.159 7.542 -0.383 17903 3129 1 18 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.045 -0.301 17903 3130 1 18 . 1 1 15 15 LEU H H 9 7.867 7.867 8.246 -0.380 17903 3131 1 18 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.142 -0.364 17903 3132 1 18 . 1 1 16 16 PHE H H 10 8.400 8.400 7.662 0.738 17903 3133 1 18 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.113 0.127 17903 3134 1 18 . 1 1 17 17 LYS H H 11 8.101 8.101 7.466 0.635 17903 3135 1 18 . 1 1 18 18 THR HA H 12 4.240 4.240 4.373 -0.133 17903 3136 1 18 . 1 1 18 18 THR H H 12 7.740 7.740 8.106 -0.366 17903 3137 1 18 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.398 0.159 17903 3138 1 18 . 1 1 19 19 ARG H H 13 8.200 8.200 7.508 0.692 17903 3139 1 18 . 1 1 20 20 CYS HA H 14 1.474 1.474 3.948 -2.474 17903 3140 1 18 . 1 1 20 20 CYS H H 14 7.743 7.743 7.721 0.022 17903 3141 1 18 . 1 1 21 21 LEU HA H 15 6.244 6.244 3.942 2.302 17903 3142 1 18 . 1 1 21 21 LEU H H 15 8.143 8.143 7.779 0.364 17903 3143 1 18 . 1 1 22 22 GLN HA H 16 4.832 4.832 3.959 0.873 17903 3144 1 18 . 1 1 22 22 GLN H H 16 9.961 9.961 7.508 2.453 17903 3145 1 18 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.753 0.908 17903 3146 1 18 . 1 1 23 23 CYS H H 17 9.961 9.961 7.648 2.313 17903 3147 1 18 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.919 3.604 17903 3148 1 18 . 1 1 24 24 HIS H H 18 10.592 10.592 7.517 3.075 17903 3149 1 18 . 1 1 25 25 THR HA H 19 6.076 6.076 4.947 1.129 17903 3150 1 18 . 1 1 25 25 THR H H 19 10.271 10.271 8.642 1.629 17903 3151 1 18 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.621 0.230 17903 3152 1 18 . 1 1 26 26 VAL H H 20 9.167 9.167 8.808 0.359 17903 3153 1 18 . 1 1 27 27 GLU HA H 21 4.468 4.468 3.974 0.494 17903 3154 1 18 . 1 1 27 27 GLU H H 21 9.353 9.353 8.066 1.287 17903 3155 1 18 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.931 -0.134 17903 3156 1 18 . 1 1 28 28 LYS H H 22 9.566 9.566 8.247 1.319 17903 3157 1 18 . 1 1 29 29 GLY H H 23 9.546 9.546 8.591 0.955 17903 3158 1 18 . 1 1 30 30 GLY H H 24 8.353 8.353 7.746 0.607 17903 3159 1 18 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.222 0.335 17903 3160 1 18 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.892 -0.036 17903 3161 1 18 . 1 1 33 33 LYS H H 27 8.395 8.395 8.256 0.139 17903 3162 1 18 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.215 -0.900 17903 3163 1 18 . 1 1 34 34 VAL H H 28 7.759 7.759 7.448 0.311 17903 3164 1 18 . 1 1 35 35 GLY H H 29 7.665 7.665 7.851 -0.186 17903 3165 1 18 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.091 -0.157 17903 3166 1 18 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.117 1.043 17903 3167 1 18 . 1 1 37 37 ASN H H 31 9.976 9.976 8.856 1.120 17903 3168 1 18 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.932 -0.172 17903 3169 1 18 . 1 1 38 38 LEU H H 32 9.635 9.635 8.457 1.178 17903 3170 1 18 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.691 -0.406 17903 3171 1 18 . 1 1 39 39 HIS H H 33 7.334 7.334 8.499 -1.165 17903 3172 1 18 . 1 1 40 40 GLY H H 34 9.079 9.079 8.766 0.313 17903 3173 1 18 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.981 -0.377 17903 3174 1 18 . 1 1 41 41 ILE H H 35 7.151 7.151 7.862 -0.711 17903 3175 1 18 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.196 -0.052 17903 3176 1 18 . 1 1 42 42 PHE H H 36 7.787 7.787 8.549 -0.762 17903 3177 1 18 . 1 1 43 43 GLY H H 37 8.679 8.679 7.574 1.105 17903 3178 1 18 . 1 1 44 44 ARG H H 38 7.793 7.793 8.362 -0.569 17903 3179 1 18 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.642 0.458 17903 3180 1 18 . 1 1 45 45 HIS H H 39 8.030 8.030 9.006 -0.976 17903 3181 1 18 . 1 1 46 46 SER HA H 40 4.374 4.374 4.308 0.066 17903 3182 1 18 . 1 1 46 46 SER H H 40 8.708 8.708 7.748 0.960 17903 3183 1 18 . 1 1 47 47 GLY H H 41 8.616 8.616 8.246 0.370 17903 3184 1 18 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.517 -0.266 17903 3185 1 18 . 1 1 48 48 GLN H H 42 7.900 7.900 7.511 0.389 17903 3186 1 18 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.751 -0.615 17903 3187 1 18 . 1 1 49 49 ALA H H 43 8.191 8.191 8.535 -0.344 17903 3188 1 18 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.378 -0.233 17903 3189 1 18 . 1 1 50 50 GLU H H 44 8.663 8.663 9.069 -0.406 17903 3190 1 18 . 1 1 51 51 GLY H H 45 7.154 7.154 8.635 -1.481 17903 3191 1 18 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.590 -0.891 17903 3192 1 18 . 1 1 52 52 TYR H H 46 6.933 6.933 7.824 -0.891 17903 3193 1 18 . 1 1 53 53 SER HA H 47 4.100 4.100 4.225 -0.125 17903 3194 1 18 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.041 0.070 17903 3195 1 18 . 1 1 54 54 TYR H H 48 7.563 7.563 7.911 -0.348 17903 3196 1 18 . 1 1 55 55 THR HA H 49 4.265 4.265 4.354 -0.089 17903 3197 1 18 . 1 1 55 55 THR H H 49 7.989 7.989 8.406 -0.417 17903 3198 1 18 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.248 0.068 17903 3199 1 18 . 1 1 56 56 ASP H H 50 8.714 8.714 8.957 -0.243 17903 3200 1 18 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.001 0.119 17903 3201 1 18 . 1 1 57 57 ALA H H 51 8.127 8.127 8.435 -0.308 17903 3202 1 18 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.486 0.173 17903 3203 1 18 . 1 1 58 58 ASN H H 52 8.407 8.407 8.347 0.060 17903 3204 1 18 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.799 -0.102 17903 3205 1 18 . 1 1 59 59 ILE H H 53 7.643 7.643 8.391 -0.748 17903 3206 1 18 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.051 0.055 17903 3207 1 18 . 1 1 60 60 LYS H H 54 8.948 8.948 7.901 1.047 17903 3208 1 18 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.332 -0.296 17903 3209 1 18 . 1 1 61 61 LYS H H 55 7.419 7.419 7.463 -0.044 17903 3210 1 18 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.938 -0.637 17903 3211 1 18 . 1 1 62 62 ASN H H 56 7.414 7.414 8.532 -1.118 17903 3212 1 18 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.045 -0.077 17903 3213 1 18 . 1 1 63 63 VAL H H 57 7.776 7.776 8.219 -0.443 17903 3214 1 18 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.381 0.401 17903 3215 1 18 . 1 1 64 64 LEU H H 58 8.402 8.402 8.034 0.368 17903 3216 1 18 . 1 1 65 65 TRP H H 59 7.766 7.766 7.978 -0.212 17903 3217 1 18 . 1 1 66 66 ASP HA H 60 4.772 4.772 5.109 -0.337 17903 3218 1 18 . 1 1 66 66 ASP H H 60 9.950 9.950 8.294 1.656 17903 3219 1 18 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.007 -0.707 17903 3220 1 18 . 1 1 67 67 GLU H H 61 10.010 10.010 8.886 1.124 17903 3221 1 18 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.620 -0.053 17903 3222 1 18 . 1 1 68 68 ASN H H 62 8.207 8.207 8.521 -0.314 17903 3223 1 18 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.448 0.015 17903 3224 1 18 . 1 1 69 69 ASN H H 63 9.442 9.442 8.133 1.309 17903 3225 1 18 . 1 1 70 70 MET HA H 64 4.330 4.330 3.948 0.382 17903 3226 1 18 . 1 1 70 70 MET H H 64 8.891 8.891 8.827 0.064 17903 3227 1 18 . 1 1 71 71 SER HA H 65 3.572 3.572 4.102 -0.530 17903 3228 1 18 . 1 1 71 71 SER H H 65 7.660 7.660 7.780 -0.120 17903 3229 1 18 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.153 -0.243 17903 3230 1 18 . 1 1 72 72 GLU H H 66 7.657 7.657 7.689 -0.032 17903 3231 1 18 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.356 0.040 17903 3232 1 18 . 1 1 73 73 TYR H H 67 8.935 8.935 7.377 1.558 17903 3233 1 18 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.780 -0.028 17903 3234 1 18 . 1 1 74 74 LEU H H 68 8.189 8.189 8.000 0.189 17903 3235 1 18 . 1 1 75 75 THR HA H 69 3.851 3.851 4.010 -0.159 17903 3236 1 18 . 1 1 75 75 THR H H 69 7.421 7.421 7.524 -0.103 17903 3237 1 18 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.797 0.205 17903 3238 1 18 . 1 1 76 76 ASN H H 70 6.632 6.632 7.594 -0.962 17903 3239 1 18 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.572 6.699 17903 3240 1 18 . 1 1 77 77 HIS H H 71 11.262 11.262 8.302 2.960 17903 3241 1 18 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.075 2.150 17903 3242 1 18 . 1 1 78 78 ALA H H 72 9.567 9.567 7.955 1.612 17903 3243 1 18 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.408 0.053 17903 3244 1 18 . 1 1 79 79 LYS H H 73 8.017 8.017 7.621 0.396 17903 3245 1 18 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.285 -0.072 17903 3246 1 18 . 1 1 80 80 TYR H H 74 8.270 8.270 7.624 0.646 17903 3247 1 18 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.522 0.233 17903 3248 1 18 . 1 1 81 81 ILE H H 75 9.605 9.605 7.580 2.025 17903 3249 1 18 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.437 1.078 17903 3250 1 18 . 1 1 83 83 GLY H H 77 9.364 9.364 8.671 0.693 17903 3251 1 18 . 1 1 84 84 THR HA H 78 5.970 5.970 4.452 1.518 17903 3252 1 18 . 1 1 84 84 THR H H 78 8.938 8.938 7.710 1.228 17903 3253 1 18 . 1 1 85 85 LYS H H 79 8.058 8.058 8.472 -0.414 17903 3254 1 18 . 1 1 86 86 MET HA H 80 4.582 4.582 4.847 -0.265 17903 3255 1 18 . 1 1 86 86 MET H H 80 8.681 8.681 8.667 0.014 17903 3256 1 18 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.453 0.709 17903 3257 1 18 . 1 1 87 87 ALA H H 81 8.014 8.014 8.626 -0.612 17903 3258 1 18 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.588 -0.164 17903 3259 1 18 . 1 1 88 88 PHE H H 82 8.708 8.708 7.935 0.773 17903 3260 1 18 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.594 -0.602 17903 3261 1 18 . 1 1 91 91 LEU H H 85 8.409 8.409 8.885 -0.476 17903 3262 1 18 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.003 -0.033 17903 3263 1 18 . 1 1 92 92 LYS H H 86 8.165 8.165 8.221 -0.056 17903 3264 1 18 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.213 0.112 17903 3265 1 18 . 1 1 93 93 LYS H H 87 8.256 8.256 7.714 0.542 17903 3266 1 18 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.982 -0.647 17903 3267 1 18 . 1 1 94 94 GLU H H 88 8.436 8.436 9.068 -0.632 17903 3268 1 18 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.998 -0.158 17903 3269 1 18 . 1 1 95 95 LYS H H 89 8.711 8.711 8.338 0.373 17903 3270 1 18 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.731 -0.669 17903 3271 1 18 . 1 1 96 96 ASP H H 90 6.317 6.317 8.015 -1.698 17903 3272 1 18 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.954 -0.538 17903 3273 1 18 . 1 1 97 97 ARG H H 91 7.422 7.422 7.843 -0.421 17903 3274 1 18 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.853 -1.015 17903 3275 1 18 . 1 1 98 98 ASN H H 92 8.486 8.486 8.480 0.006 17903 3276 1 18 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.516 -0.497 17903 3277 1 18 . 1 1 99 99 ASP H H 93 8.620 8.620 7.967 0.653 17903 3278 1 18 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.187 -0.551 17903 3279 1 18 . 1 1 100 100 LEU H H 94 8.189 8.189 8.202 -0.013 17903 3280 1 18 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.601 -0.775 17903 3281 1 18 . 1 1 101 101 ILE H H 95 8.672 8.672 7.567 1.105 17903 3282 1 18 . 1 1 102 102 THR HA H 96 3.825 3.825 4.012 -0.187 17903 3283 1 18 . 1 1 102 102 THR H H 96 7.928 7.928 7.952 -0.024 17903 3284 1 18 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.271 -0.290 17903 3285 1 18 . 1 1 103 103 TYR H H 97 7.499 7.499 7.632 -0.133 17903 3286 1 18 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.475 -0.536 17903 3287 1 18 . 1 1 104 104 LEU H H 98 8.853 8.853 7.971 0.882 17903 3288 1 18 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.377 -0.091 17903 3289 1 18 . 1 1 105 105 LYS H H 99 8.294 8.294 8.490 -0.196 17903 3290 1 18 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.117 -0.000 17903 3291 1 18 . 1 1 106 106 LYS H H 100 6.365 6.365 7.349 -0.984 17903 3292 1 18 . 1 1 107 107 ALA HA H 101 3.883 3.883 4.045 -0.162 17903 3293 1 18 . 1 1 107 107 ALA H H 101 8.188 8.188 7.425 0.763 17903 3294 1 18 . 1 1 108 108 THR H H 102 6.404 6.404 7.730 -1.326 17903 3295 1 19 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.559 -0.281 17903 3296 1 19 . 1 1 3 3 PHE H H -3 7.737 7.737 8.514 -0.777 17903 3297 1 19 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.553 -0.761 17903 3298 1 19 . 1 1 4 4 LYS H H -2 6.597 6.597 7.917 -1.320 17903 3299 1 19 . 1 1 8 8 SER HA H 2 3.982 3.982 4.775 -0.793 17903 3300 1 19 . 1 1 8 8 SER H H 2 9.365 9.365 8.730 0.634 17903 3301 1 19 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.316 -0.200 17903 3302 1 19 . 1 1 9 9 ALA H H 3 8.961 8.961 8.967 -0.006 17903 3303 1 19 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.042 0.283 17903 3304 1 19 . 1 1 10 10 LYS H H 4 8.198 8.198 8.443 -0.245 17903 3305 1 19 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.104 -0.072 17903 3306 1 19 . 1 1 11 11 LYS H H 5 7.710 7.710 7.490 0.220 17903 3307 1 19 . 1 1 12 12 GLY H H 6 8.619 8.619 8.001 0.618 17903 3308 1 19 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.423 -1.239 17903 3309 1 19 . 1 1 13 13 ALA H H 7 7.907 7.907 8.202 -0.295 17903 3310 1 19 . 1 1 14 14 THR HA H 8 4.095 4.095 3.983 0.112 17903 3311 1 19 . 1 1 14 14 THR H H 8 7.159 7.159 7.603 -0.444 17903 3312 1 19 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.119 -0.375 17903 3313 1 19 . 1 1 15 15 LEU H H 9 7.867 7.867 7.626 0.241 17903 3314 1 19 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.181 -0.403 17903 3315 1 19 . 1 1 16 16 PHE H H 10 8.400 8.400 7.777 0.623 17903 3316 1 19 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.151 0.089 17903 3317 1 19 . 1 1 17 17 LYS H H 11 8.101 8.101 7.662 0.439 17903 3318 1 19 . 1 1 18 18 THR HA H 12 4.240 4.240 4.358 -0.118 17903 3319 1 19 . 1 1 18 18 THR H H 12 7.740 7.740 8.114 -0.374 17903 3320 1 19 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.515 0.042 17903 3321 1 19 . 1 1 19 19 ARG H H 13 8.200 8.200 7.559 0.641 17903 3322 1 19 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.351 -2.877 17903 3323 1 19 . 1 1 20 20 CYS H H 14 7.743 7.743 7.778 -0.035 17903 3324 1 19 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.298 1.946 17903 3325 1 19 . 1 1 21 21 LEU H H 15 8.143 8.143 7.806 0.337 17903 3326 1 19 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.054 0.778 17903 3327 1 19 . 1 1 22 22 GLN H H 16 9.961 9.961 7.830 2.131 17903 3328 1 19 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.696 0.965 17903 3329 1 19 . 1 1 23 23 CYS H H 17 9.961 9.961 7.510 2.451 17903 3330 1 19 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.996 3.527 17903 3331 1 19 . 1 1 24 24 HIS H H 18 10.592 10.592 8.561 2.031 17903 3332 1 19 . 1 1 25 25 THR HA H 19 6.076 6.076 4.717 1.359 17903 3333 1 19 . 1 1 25 25 THR H H 19 10.271 10.271 8.534 1.737 17903 3334 1 19 . 1 1 26 26 VAL HA H 20 4.851 4.851 3.714 1.137 17903 3335 1 19 . 1 1 26 26 VAL H H 20 9.167 9.167 8.650 0.517 17903 3336 1 19 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.087 0.381 17903 3337 1 19 . 1 1 27 27 GLU H H 21 9.353 9.353 8.014 1.339 17903 3338 1 19 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.374 -0.577 17903 3339 1 19 . 1 1 28 28 LYS H H 22 9.566 9.566 8.320 1.246 17903 3340 1 19 . 1 1 29 29 GLY H H 23 9.546 9.546 8.804 0.742 17903 3341 1 19 . 1 1 30 30 GLY H H 24 8.353 8.353 7.482 0.871 17903 3342 1 19 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.119 0.438 17903 3343 1 19 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.362 0.494 17903 3344 1 19 . 1 1 33 33 LYS H H 27 8.395 8.395 8.351 0.044 17903 3345 1 19 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.145 -0.830 17903 3346 1 19 . 1 1 34 34 VAL H H 28 7.759 7.759 8.018 -0.259 17903 3347 1 19 . 1 1 35 35 GLY H H 29 7.665 7.665 7.495 0.170 17903 3348 1 19 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.364 -0.430 17903 3349 1 19 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.116 1.044 17903 3350 1 19 . 1 1 37 37 ASN H H 31 9.976 9.976 9.029 0.947 17903 3351 1 19 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.448 0.312 17903 3352 1 19 . 1 1 38 38 LEU H H 32 9.635 9.635 8.500 1.135 17903 3353 1 19 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.335 -0.050 17903 3354 1 19 . 1 1 39 39 HIS H H 33 7.334 7.334 8.590 -1.256 17903 3355 1 19 . 1 1 40 40 GLY H H 34 9.079 9.079 8.759 0.320 17903 3356 1 19 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.157 -0.553 17903 3357 1 19 . 1 1 41 41 ILE H H 35 7.151 7.151 7.845 -0.694 17903 3358 1 19 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.255 -0.111 17903 3359 1 19 . 1 1 42 42 PHE H H 36 7.787 7.787 8.657 -0.870 17903 3360 1 19 . 1 1 43 43 GLY H H 37 8.679 8.679 7.734 0.945 17903 3361 1 19 . 1 1 44 44 ARG H H 38 7.793 7.793 8.019 -0.226 17903 3362 1 19 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.611 0.489 17903 3363 1 19 . 1 1 45 45 HIS H H 39 8.030 8.030 8.734 -0.704 17903 3364 1 19 . 1 1 46 46 SER HA H 40 4.374 4.374 4.442 -0.068 17903 3365 1 19 . 1 1 46 46 SER H H 40 8.708 8.708 7.796 0.912 17903 3366 1 19 . 1 1 47 47 GLY H H 41 8.616 8.616 8.397 0.219 17903 3367 1 19 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.656 -0.405 17903 3368 1 19 . 1 1 48 48 GLN H H 42 7.900 7.900 7.600 0.300 17903 3369 1 19 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.771 -0.635 17903 3370 1 19 . 1 1 49 49 ALA H H 43 8.191 8.191 8.590 -0.399 17903 3371 1 19 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.155 -0.010 17903 3372 1 19 . 1 1 50 50 GLU H H 44 8.663 8.663 8.850 -0.187 17903 3373 1 19 . 1 1 51 51 GLY H H 45 7.154 7.154 8.524 -1.370 17903 3374 1 19 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.447 -0.748 17903 3375 1 19 . 1 1 52 52 TYR H H 46 6.933 6.933 7.733 -0.800 17903 3376 1 19 . 1 1 53 53 SER HA H 47 4.100 4.100 4.153 -0.053 17903 3377 1 19 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.050 0.061 17903 3378 1 19 . 1 1 54 54 TYR H H 48 7.563 7.563 8.202 -0.639 17903 3379 1 19 . 1 1 55 55 THR HA H 49 4.265 4.265 4.345 -0.080 17903 3380 1 19 . 1 1 55 55 THR H H 49 7.989 7.989 8.131 -0.142 17903 3381 1 19 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.218 0.098 17903 3382 1 19 . 1 1 56 56 ASP H H 50 8.714 8.714 9.015 -0.301 17903 3383 1 19 . 1 1 57 57 ALA HA H 51 4.120 4.120 3.988 0.132 17903 3384 1 19 . 1 1 57 57 ALA H H 51 8.127 8.127 8.415 -0.288 17903 3385 1 19 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.526 0.133 17903 3386 1 19 . 1 1 58 58 ASN H H 52 8.407 8.407 8.301 0.106 17903 3387 1 19 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.840 -0.143 17903 3388 1 19 . 1 1 59 59 ILE H H 53 7.643 7.643 8.606 -0.963 17903 3389 1 19 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.052 0.054 17903 3390 1 19 . 1 1 60 60 LYS H H 54 8.948 8.948 7.901 1.047 17903 3391 1 19 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.327 -0.291 17903 3392 1 19 . 1 1 61 61 LYS H H 55 7.419 7.419 7.482 -0.063 17903 3393 1 19 . 1 1 62 62 ASN HA H 56 4.301 4.301 5.040 -0.739 17903 3394 1 19 . 1 1 62 62 ASN H H 56 7.414 7.414 8.466 -1.052 17903 3395 1 19 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.053 -0.085 17903 3396 1 19 . 1 1 63 63 VAL H H 57 7.776 7.776 8.293 -0.517 17903 3397 1 19 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.344 0.438 17903 3398 1 19 . 1 1 64 64 LEU H H 58 8.402 8.402 8.034 0.368 17903 3399 1 19 . 1 1 65 65 TRP H H 59 7.766 7.766 7.738 0.028 17903 3400 1 19 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.895 -0.123 17903 3401 1 19 . 1 1 66 66 ASP H H 60 9.950 9.950 8.379 1.571 17903 3402 1 19 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.119 -0.819 17903 3403 1 19 . 1 1 67 67 GLU H H 61 10.010 10.010 8.834 1.176 17903 3404 1 19 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.639 -0.072 17903 3405 1 19 . 1 1 68 68 ASN H H 62 8.207 8.207 8.309 -0.102 17903 3406 1 19 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.503 -0.040 17903 3407 1 19 . 1 1 69 69 ASN H H 63 9.442 9.442 8.105 1.337 17903 3408 1 19 . 1 1 70 70 MET HA H 64 4.330 4.330 3.982 0.348 17903 3409 1 19 . 1 1 70 70 MET H H 64 8.891 8.891 8.923 -0.032 17903 3410 1 19 . 1 1 71 71 SER HA H 65 3.572 3.572 4.164 -0.592 17903 3411 1 19 . 1 1 71 71 SER H H 65 7.660 7.660 8.011 -0.351 17903 3412 1 19 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.134 -0.224 17903 3413 1 19 . 1 1 72 72 GLU H H 66 7.657 7.657 7.822 -0.165 17903 3414 1 19 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.311 0.085 17903 3415 1 19 . 1 1 73 73 TYR H H 67 8.935 8.935 7.300 1.635 17903 3416 1 19 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.833 -0.081 17903 3417 1 19 . 1 1 74 74 LEU H H 68 8.189 8.189 8.576 -0.387 17903 3418 1 19 . 1 1 75 75 THR HA H 69 3.851 3.851 3.935 -0.084 17903 3419 1 19 . 1 1 75 75 THR H H 69 7.421 7.421 7.537 -0.116 17903 3420 1 19 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.802 0.200 17903 3421 1 19 . 1 1 76 76 ASN H H 70 6.632 6.632 7.665 -1.033 17903 3422 1 19 . 1 1 77 77 HIS HA H 71 10.271 10.271 4.249 6.022 17903 3423 1 19 . 1 1 77 77 HIS H H 71 11.262 11.262 8.643 2.619 17903 3424 1 19 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.580 1.645 17903 3425 1 19 . 1 1 78 78 ALA H H 72 9.567 9.567 8.093 1.474 17903 3426 1 19 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.986 0.475 17903 3427 1 19 . 1 1 79 79 LYS H H 73 8.017 8.017 8.099 -0.082 17903 3428 1 19 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.366 -0.153 17903 3429 1 19 . 1 1 80 80 TYR H H 74 8.270 8.270 8.114 0.156 17903 3430 1 19 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.562 0.193 17903 3431 1 19 . 1 1 81 81 ILE H H 75 9.605 9.605 7.817 1.788 17903 3432 1 19 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.531 0.984 17903 3433 1 19 . 1 1 83 83 GLY H H 77 9.364 9.364 8.634 0.730 17903 3434 1 19 . 1 1 84 84 THR HA H 78 5.970 5.970 4.555 1.415 17903 3435 1 19 . 1 1 84 84 THR H H 78 8.938 8.938 7.709 1.229 17903 3436 1 19 . 1 1 85 85 LYS H H 79 8.058 8.058 8.593 -0.535 17903 3437 1 19 . 1 1 86 86 MET HA H 80 4.582 4.582 4.699 -0.117 17903 3438 1 19 . 1 1 86 86 MET H H 80 8.681 8.681 8.213 0.468 17903 3439 1 19 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.429 0.733 17903 3440 1 19 . 1 1 87 87 ALA H H 81 8.014 8.014 8.576 -0.562 17903 3441 1 19 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.712 -0.288 17903 3442 1 19 . 1 1 88 88 PHE H H 82 8.708 8.708 7.983 0.725 17903 3443 1 19 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.464 -0.472 17903 3444 1 19 . 1 1 91 91 LEU H H 85 8.409 8.409 8.935 -0.526 17903 3445 1 19 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.023 -0.053 17903 3446 1 19 . 1 1 92 92 LYS H H 86 8.165 8.165 7.844 0.321 17903 3447 1 19 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.303 0.022 17903 3448 1 19 . 1 1 93 93 LYS H H 87 8.256 8.256 8.210 0.046 17903 3449 1 19 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.920 -0.585 17903 3450 1 19 . 1 1 94 94 GLU H H 88 8.436 8.436 9.033 -0.597 17903 3451 1 19 . 1 1 95 95 LYS HA H 89 3.840 3.840 3.988 -0.148 17903 3452 1 19 . 1 1 95 95 LYS H H 89 8.711 8.711 8.373 0.338 17903 3453 1 19 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.420 -0.358 17903 3454 1 19 . 1 1 96 96 ASP H H 90 6.317 6.317 7.747 -1.430 17903 3455 1 19 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.831 -0.415 17903 3456 1 19 . 1 1 97 97 ARG H H 91 7.422 7.422 7.557 -0.135 17903 3457 1 19 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.386 -0.548 17903 3458 1 19 . 1 1 98 98 ASN H H 92 8.486 8.486 8.433 0.053 17903 3459 1 19 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.478 -0.459 17903 3460 1 19 . 1 1 99 99 ASP H H 93 8.620 8.620 8.465 0.155 17903 3461 1 19 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.172 -0.536 17903 3462 1 19 . 1 1 100 100 LEU H H 94 8.189 8.189 8.298 -0.109 17903 3463 1 19 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.787 -0.961 17903 3464 1 19 . 1 1 101 101 ILE H H 95 8.672 8.672 7.765 0.907 17903 3465 1 19 . 1 1 102 102 THR HA H 96 3.825 3.825 4.018 -0.193 17903 3466 1 19 . 1 1 102 102 THR H H 96 7.928 7.928 8.169 -0.241 17903 3467 1 19 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.206 -0.225 17903 3468 1 19 . 1 1 103 103 TYR H H 97 7.499 7.499 7.779 -0.280 17903 3469 1 19 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.440 -0.501 17903 3470 1 19 . 1 1 104 104 LEU H H 98 8.853 8.853 7.766 1.087 17903 3471 1 19 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.310 -0.024 17903 3472 1 19 . 1 1 105 105 LYS H H 99 8.294 8.294 8.558 -0.264 17903 3473 1 19 . 1 1 106 106 LYS HA H 100 4.117 4.117 4.066 0.051 17903 3474 1 19 . 1 1 106 106 LYS H H 100 6.365 6.365 7.388 -1.023 17903 3475 1 19 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.916 -0.033 17903 3476 1 19 . 1 1 107 107 ALA H H 101 8.188 8.188 7.337 0.851 17903 3477 1 19 . 1 1 108 108 THR H H 102 6.404 6.404 7.672 -1.268 17903 3478 1 20 . 1 1 3 3 PHE HA H -3 4.278 4.278 4.778 -0.500 17903 3479 1 20 . 1 1 3 3 PHE H H -3 7.737 7.737 7.070 0.667 17903 3480 1 20 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.263 -0.471 17903 3481 1 20 . 1 1 4 4 LYS H H -2 6.597 6.597 8.468 -1.871 17903 3482 1 20 . 1 1 8 8 SER HA H 2 3.982 3.982 4.868 -0.886 17903 3483 1 20 . 1 1 8 8 SER H H 2 9.365 9.365 8.262 1.103 17903 3484 1 20 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.273 -0.157 17903 3485 1 20 . 1 1 9 9 ALA H H 3 8.961 8.961 8.881 0.080 17903 3486 1 20 . 1 1 10 10 LYS HA H 4 4.325 4.325 3.992 0.333 17903 3487 1 20 . 1 1 10 10 LYS H H 4 8.198 8.198 8.628 -0.430 17903 3488 1 20 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.146 -0.114 17903 3489 1 20 . 1 1 11 11 LYS H H 5 7.710 7.710 7.556 0.154 17903 3490 1 20 . 1 1 12 12 GLY H H 6 8.619 8.619 7.701 0.918 17903 3491 1 20 . 1 1 13 13 ALA HA H 7 2.184 2.184 2.976 -0.792 17903 3492 1 20 . 1 1 13 13 ALA H H 7 7.907 7.907 8.334 -0.427 17903 3493 1 20 . 1 1 14 14 THR HA H 8 4.095 4.095 4.029 0.066 17903 3494 1 20 . 1 1 14 14 THR H H 8 7.159 7.159 7.568 -0.409 17903 3495 1 20 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.011 -0.267 17903 3496 1 20 . 1 1 15 15 LEU H H 9 7.867 7.867 8.032 -0.165 17903 3497 1 20 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.234 -0.456 17903 3498 1 20 . 1 1 16 16 PHE H H 10 8.400 8.400 7.877 0.523 17903 3499 1 20 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.171 0.069 17903 3500 1 20 . 1 1 17 17 LYS H H 11 8.101 8.101 7.599 0.502 17903 3501 1 20 . 1 1 18 18 THR HA H 12 4.240 4.240 4.326 -0.086 17903 3502 1 20 . 1 1 18 18 THR H H 12 7.740 7.740 8.075 -0.335 17903 3503 1 20 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.435 0.122 17903 3504 1 20 . 1 1 19 19 ARG H H 13 8.200 8.200 7.517 0.683 17903 3505 1 20 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.357 -2.883 17903 3506 1 20 . 1 1 20 20 CYS H H 14 7.743 7.743 7.649 0.094 17903 3507 1 20 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.336 1.908 17903 3508 1 20 . 1 1 21 21 LEU H H 15 8.143 8.143 7.996 0.147 17903 3509 1 20 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.073 0.759 17903 3510 1 20 . 1 1 22 22 GLN H H 16 9.961 9.961 7.864 2.097 17903 3511 1 20 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.655 1.006 17903 3512 1 20 . 1 1 23 23 CYS H H 17 9.961 9.961 7.564 2.397 17903 3513 1 20 . 1 1 24 24 HIS HA H 18 8.523 8.523 5.125 3.398 17903 3514 1 20 . 1 1 24 24 HIS H H 18 10.592 10.592 8.716 1.876 17903 3515 1 20 . 1 1 25 25 THR HA H 19 6.076 6.076 4.774 1.302 17903 3516 1 20 . 1 1 25 25 THR H H 19 10.271 10.271 8.657 1.614 17903 3517 1 20 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.359 0.492 17903 3518 1 20 . 1 1 26 26 VAL H H 20 9.167 9.167 8.571 0.596 17903 3519 1 20 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.069 0.399 17903 3520 1 20 . 1 1 27 27 GLU H H 21 9.353 9.353 8.114 1.239 17903 3521 1 20 . 1 1 28 28 LYS HA H 22 3.797 3.797 3.853 -0.056 17903 3522 1 20 . 1 1 28 28 LYS H H 22 9.566 9.566 8.396 1.170 17903 3523 1 20 . 1 1 29 29 GLY H H 23 9.546 9.546 8.987 0.559 17903 3524 1 20 . 1 1 30 30 GLY H H 24 8.353 8.353 7.606 0.747 17903 3525 1 20 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.006 0.551 17903 3526 1 20 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.427 0.429 17903 3527 1 20 . 1 1 33 33 LYS H H 27 8.395 8.395 8.505 -0.110 17903 3528 1 20 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.181 -0.866 17903 3529 1 20 . 1 1 34 34 VAL H H 28 7.759 7.759 7.677 0.082 17903 3530 1 20 . 1 1 35 35 GLY H H 29 7.665 7.665 7.432 0.233 17903 3531 1 20 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.056 -0.122 17903 3532 1 20 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.452 0.708 17903 3533 1 20 . 1 1 37 37 ASN H H 31 9.976 9.976 8.913 1.063 17903 3534 1 20 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.728 0.032 17903 3535 1 20 . 1 1 38 38 LEU H H 32 9.635 9.635 8.442 1.193 17903 3536 1 20 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.602 -0.317 17903 3537 1 20 . 1 1 39 39 HIS H H 33 7.334 7.334 8.579 -1.245 17903 3538 1 20 . 1 1 40 40 GLY H H 34 9.079 9.079 8.706 0.373 17903 3539 1 20 . 1 1 41 41 ILE HA H 35 3.604 3.604 3.959 -0.355 17903 3540 1 20 . 1 1 41 41 ILE H H 35 7.151 7.151 7.936 -0.785 17903 3541 1 20 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.196 -0.052 17903 3542 1 20 . 1 1 42 42 PHE H H 36 7.787 7.787 8.461 -0.674 17903 3543 1 20 . 1 1 43 43 GLY H H 37 8.679 8.679 7.684 0.995 17903 3544 1 20 . 1 1 44 44 ARG H H 38 7.793 7.793 8.176 -0.383 17903 3545 1 20 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.758 0.342 17903 3546 1 20 . 1 1 45 45 HIS H H 39 8.030 8.030 8.584 -0.554 17903 3547 1 20 . 1 1 46 46 SER HA H 40 4.374 4.374 4.223 0.151 17903 3548 1 20 . 1 1 46 46 SER H H 40 8.708 8.708 7.858 0.850 17903 3549 1 20 . 1 1 47 47 GLY H H 41 8.616 8.616 8.144 0.472 17903 3550 1 20 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.629 -0.378 17903 3551 1 20 . 1 1 48 48 GLN H H 42 7.900 7.900 7.780 0.120 17903 3552 1 20 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.747 -0.611 17903 3553 1 20 . 1 1 49 49 ALA H H 43 8.191 8.191 8.538 -0.347 17903 3554 1 20 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.305 -0.160 17903 3555 1 20 . 1 1 50 50 GLU H H 44 8.663 8.663 9.171 -0.508 17903 3556 1 20 . 1 1 51 51 GLY H H 45 7.154 7.154 8.365 -1.211 17903 3557 1 20 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.631 -0.932 17903 3558 1 20 . 1 1 52 52 TYR H H 46 6.933 6.933 8.105 -1.172 17903 3559 1 20 . 1 1 53 53 SER HA H 47 4.100 4.100 4.133 -0.033 17903 3560 1 20 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.015 0.096 17903 3561 1 20 . 1 1 54 54 TYR H H 48 7.563 7.563 8.320 -0.757 17903 3562 1 20 . 1 1 55 55 THR HA H 49 4.265 4.265 4.417 -0.152 17903 3563 1 20 . 1 1 55 55 THR H H 49 7.989 7.989 8.152 -0.163 17903 3564 1 20 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.238 0.078 17903 3565 1 20 . 1 1 56 56 ASP H H 50 8.714 8.714 9.153 -0.439 17903 3566 1 20 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.072 0.048 17903 3567 1 20 . 1 1 57 57 ALA H H 51 8.127 8.127 8.436 -0.309 17903 3568 1 20 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.548 0.111 17903 3569 1 20 . 1 1 58 58 ASN H H 52 8.407 8.407 8.190 0.217 17903 3570 1 20 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.752 -0.055 17903 3571 1 20 . 1 1 59 59 ILE H H 53 7.643 7.643 8.640 -0.997 17903 3572 1 20 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.066 0.040 17903 3573 1 20 . 1 1 60 60 LYS H H 54 8.948 8.948 7.848 1.100 17903 3574 1 20 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.289 -0.253 17903 3575 1 20 . 1 1 61 61 LYS H H 55 7.419 7.419 7.582 -0.163 17903 3576 1 20 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.855 -0.554 17903 3577 1 20 . 1 1 62 62 ASN H H 56 7.414 7.414 8.378 -0.964 17903 3578 1 20 . 1 1 63 63 VAL HA H 57 3.968 3.968 3.904 0.064 17903 3579 1 20 . 1 1 63 63 VAL H H 57 7.776 7.776 8.064 -0.288 17903 3580 1 20 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.412 0.370 17903 3581 1 20 . 1 1 64 64 LEU H H 58 8.402 8.402 7.957 0.445 17903 3582 1 20 . 1 1 65 65 TRP H H 59 7.766 7.766 8.008 -0.242 17903 3583 1 20 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.910 -0.138 17903 3584 1 20 . 1 1 66 66 ASP H H 60 9.950 9.950 8.313 1.637 17903 3585 1 20 . 1 1 67 67 GLU HA H 61 3.300 3.300 4.112 -0.812 17903 3586 1 20 . 1 1 67 67 GLU H H 61 10.010 10.010 8.879 1.131 17903 3587 1 20 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.426 0.141 17903 3588 1 20 . 1 1 68 68 ASN H H 62 8.207 8.207 8.656 -0.449 17903 3589 1 20 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.448 0.015 17903 3590 1 20 . 1 1 69 69 ASN H H 63 9.442 9.442 8.099 1.343 17903 3591 1 20 . 1 1 70 70 MET HA H 64 4.330 4.330 4.010 0.320 17903 3592 1 20 . 1 1 70 70 MET H H 64 8.891 8.891 8.716 0.175 17903 3593 1 20 . 1 1 71 71 SER HA H 65 3.572 3.572 4.050 -0.478 17903 3594 1 20 . 1 1 71 71 SER H H 65 7.660 7.660 7.767 -0.107 17903 3595 1 20 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.084 -0.174 17903 3596 1 20 . 1 1 72 72 GLU H H 66 7.657 7.657 7.681 -0.024 17903 3597 1 20 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.277 0.119 17903 3598 1 20 . 1 1 73 73 TYR H H 67 8.935 8.935 7.357 1.578 17903 3599 1 20 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.759 -0.007 17903 3600 1 20 . 1 1 74 74 LEU H H 68 8.189 8.189 8.218 -0.029 17903 3601 1 20 . 1 1 75 75 THR HA H 69 3.851 3.851 3.973 -0.122 17903 3602 1 20 . 1 1 75 75 THR H H 69 7.421 7.421 7.397 0.024 17903 3603 1 20 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.834 0.168 17903 3604 1 20 . 1 1 76 76 ASN H H 70 6.632 6.632 7.482 -0.850 17903 3605 1 20 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.807 6.464 17903 3606 1 20 . 1 1 77 77 HIS H H 71 11.262 11.262 8.718 2.544 17903 3607 1 20 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.390 1.835 17903 3608 1 20 . 1 1 78 78 ALA H H 72 9.567 9.567 7.775 1.792 17903 3609 1 20 . 1 1 79 79 LYS HA H 73 4.461 4.461 3.988 0.473 17903 3610 1 20 . 1 1 79 79 LYS H H 73 8.017 8.017 8.104 -0.087 17903 3611 1 20 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.386 -0.173 17903 3612 1 20 . 1 1 80 80 TYR H H 74 8.270 8.270 8.271 -0.001 17903 3613 1 20 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.644 0.111 17903 3614 1 20 . 1 1 81 81 ILE H H 75 9.605 9.605 7.862 1.743 17903 3615 1 20 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.463 1.052 17903 3616 1 20 . 1 1 83 83 GLY H H 77 9.364 9.364 8.563 0.801 17903 3617 1 20 . 1 1 84 84 THR HA H 78 5.970 5.970 4.390 1.580 17903 3618 1 20 . 1 1 84 84 THR H H 78 8.938 8.938 7.994 0.944 17903 3619 1 20 . 1 1 85 85 LYS H H 79 8.058 8.058 8.413 -0.355 17903 3620 1 20 . 1 1 86 86 MET HA H 80 4.582 4.582 4.713 -0.131 17903 3621 1 20 . 1 1 86 86 MET H H 80 8.681 8.681 8.225 0.456 17903 3622 1 20 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.397 0.765 17903 3623 1 20 . 1 1 87 87 ALA H H 81 8.014 8.014 8.664 -0.650 17903 3624 1 20 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.704 -0.280 17903 3625 1 20 . 1 1 88 88 PHE H H 82 8.708 8.708 7.922 0.786 17903 3626 1 20 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.571 -0.579 17903 3627 1 20 . 1 1 91 91 LEU H H 85 8.409 8.409 8.887 -0.478 17903 3628 1 20 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.046 -0.076 17903 3629 1 20 . 1 1 92 92 LYS H H 86 8.165 8.165 8.115 0.050 17903 3630 1 20 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.203 0.122 17903 3631 1 20 . 1 1 93 93 LYS H H 87 8.256 8.256 7.909 0.347 17903 3632 1 20 . 1 1 94 94 GLU HA H 88 3.335 3.335 4.002 -0.667 17903 3633 1 20 . 1 1 94 94 GLU H H 88 8.436 8.436 9.063 -0.627 17903 3634 1 20 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.065 -0.225 17903 3635 1 20 . 1 1 95 95 LYS H H 89 8.711 8.711 8.333 0.378 17903 3636 1 20 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.481 -0.419 17903 3637 1 20 . 1 1 96 96 ASP H H 90 6.317 6.317 7.879 -1.562 17903 3638 1 20 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.955 -0.539 17903 3639 1 20 . 1 1 97 97 ARG H H 91 7.422 7.422 7.800 -0.378 17903 3640 1 20 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.620 -0.782 17903 3641 1 20 . 1 1 98 98 ASN H H 92 8.486 8.486 8.581 -0.095 17903 3642 1 20 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.530 -0.511 17903 3643 1 20 . 1 1 99 99 ASP H H 93 8.620 8.620 8.284 0.336 17903 3644 1 20 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.053 -0.417 17903 3645 1 20 . 1 1 100 100 LEU H H 94 8.189 8.189 8.388 -0.199 17903 3646 1 20 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.641 -0.815 17903 3647 1 20 . 1 1 101 101 ILE H H 95 8.672 8.672 7.783 0.889 17903 3648 1 20 . 1 1 102 102 THR HA H 96 3.825 3.825 4.172 -0.347 17903 3649 1 20 . 1 1 102 102 THR H H 96 7.928 7.928 8.085 -0.157 17903 3650 1 20 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.330 -0.349 17903 3651 1 20 . 1 1 103 103 TYR H H 97 7.499 7.499 7.845 -0.346 17903 3652 1 20 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.477 -0.538 17903 3653 1 20 . 1 1 104 104 LEU H H 98 8.853 8.853 8.949 -0.096 17903 3654 1 20 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.454 -0.168 17903 3655 1 20 . 1 1 105 105 LYS H H 99 8.294 8.294 8.397 -0.103 17903 3656 1 20 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.953 0.164 17903 3657 1 20 . 1 1 106 106 LYS H H 100 6.365 6.365 7.273 -0.908 17903 3658 1 20 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.968 -0.085 17903 3659 1 20 . 1 1 107 107 ALA H H 101 8.188 8.188 7.692 0.496 17903 3660 1 20 . 1 1 108 108 THR H H 102 6.404 6.404 7.904 -1.500 17903 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 0 0.000 0.000 0.000 17903 2 1 1 "Average Difference" HA 105 1.295 0.080 1.299 17903 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17903 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17903 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17903 6 1 1 "Average Difference" HN 96 0.895 -0.181 0.881 17903 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17903 8 1 2 "Average Difference" HA 105 1.289 0.091 1.292 17903 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17903 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17903 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17903 12 1 2 "Average Difference" HN 96 0.962 -0.200 0.946 17903 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17903 14 1 3 "Average Difference" HA 105 1.265 0.065 1.269 17903 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17903 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17903 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17903 18 1 3 "Average Difference" HN 96 0.921 -0.169 0.910 17903 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17903 20 1 4 "Average Difference" HA 105 1.221 0.093 1.223 17903 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17903 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17903 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17903 24 1 4 "Average Difference" HN 96 0.914 -0.164 0.904 17903 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17903 26 1 5 "Average Difference" HA 105 1.295 0.073 1.299 17903 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17903 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17903 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17903 30 1 5 "Average Difference" HN 96 0.925 -0.225 0.902 17903 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17903 32 1 6 "Average Difference" HA 105 1.267 0.067 1.272 17903 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17903 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17903 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17903 36 1 6 "Average Difference" HN 96 0.995 -0.233 0.972 17903 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17903 38 1 7 "Average Difference" HA 105 1.280 0.064 1.285 17903 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17903 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17903 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17903 42 1 7 "Average Difference" HN 96 0.929 -0.230 0.905 17903 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17903 44 1 8 "Average Difference" HA 105 1.239 0.063 1.244 17903 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17903 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17903 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17903 48 1 8 "Average Difference" HN 96 0.917 -0.197 0.900 17903 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17903 50 1 9 "Average Difference" HA 105 1.296 0.076 1.300 17903 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17903 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17903 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17903 54 1 9 "Average Difference" HN 96 0.952 -0.244 0.925 17903 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17903 56 1 10 "Average Difference" HA 105 1.310 0.050 1.316 17903 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17903 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17903 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17903 60 1 10 "Average Difference" HN 96 0.910 -0.226 0.887 17903 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17903 62 1 11 "Average Difference" HA 105 1.263 0.060 1.267 17903 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17903 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17903 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17903 66 1 11 "Average Difference" HN 96 0.901 -0.218 0.879 17903 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17903 68 1 12 "Average Difference" HA 105 1.336 0.061 1.341 17903 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17903 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17903 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17903 72 1 12 "Average Difference" HN 96 0.962 -0.204 0.945 17903 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17903 74 1 13 "Average Difference" HA 105 1.266 0.069 1.271 17903 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17903 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17903 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17903 78 1 13 "Average Difference" HN 96 0.925 -0.222 0.903 17903 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17903 80 1 14 "Average Difference" HA 105 1.297 0.050 1.302 17903 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17903 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17903 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17903 84 1 14 "Average Difference" HN 96 0.927 -0.231 0.902 17903 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17903 86 1 15 "Average Difference" HA 105 1.282 0.088 1.285 17903 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17903 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17903 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17903 90 1 15 "Average Difference" HN 96 0.934 -0.189 0.919 17903 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17903 92 1 16 "Average Difference" HA 105 1.247 0.058 1.252 17903 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17903 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17903 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17903 96 1 16 "Average Difference" HN 96 0.915 -0.198 0.898 17903 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17903 98 1 17 "Average Difference" HA 105 1.276 0.024 1.282 17903 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17903 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17903 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17903 102 1 17 "Average Difference" HN 96 0.894 -0.233 0.867 17903 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17903 104 1 18 "Average Difference" HA 105 1.307 0.085 1.311 17903 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17903 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17903 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17903 108 1 18 "Average Difference" HN 96 0.976 -0.221 0.955 17903 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17903 110 1 19 "Average Difference" HA 105 1.248 0.078 1.252 17903 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17903 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17903 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17903 114 1 19 "Average Difference" HN 96 0.889 -0.193 0.872 17903 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17903 116 1 20 "Average Difference" HA 105 1.264 0.068 1.268 17903 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17903 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17903 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17903 120 1 20 "Average Difference" HN 96 0.892 -0.186 0.877 17903 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 17903 _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 3 3 PHE HA H -3 4.278 4.278 4.741 -0.463 17903 2 1 . 1 1 3 3 PHE H H -3 7.737 7.737 7.911 -0.174 17903 3 1 . 1 1 4 4 LYS HA H -2 3.792 3.792 4.320 -0.528 17903 4 1 . 1 1 4 4 LYS H H -2 6.597 6.597 8.345 -1.748 17903 5 1 . 1 1 8 8 SER HA H 2 3.982 3.982 4.808 -0.826 17903 6 1 . 1 1 8 8 SER H H 2 9.365 9.365 8.490 0.875 17903 7 1 . 1 1 9 9 ALA HA H 3 4.116 4.116 4.275 -0.159 17903 8 1 . 1 1 9 9 ALA H H 3 8.961 8.961 8.889 0.072 17903 9 1 . 1 1 10 10 LYS HA H 4 4.325 4.325 4.010 0.315 17903 10 1 . 1 1 10 10 LYS H H 4 8.198 8.198 8.513 -0.315 17903 11 1 . 1 1 11 11 LYS HA H 5 4.032 4.032 4.131 -0.099 17903 12 1 . 1 1 11 11 LYS H H 5 7.710 7.710 7.689 0.021 17903 13 1 . 1 1 12 12 GLY H H 6 8.619 8.619 7.876 0.743 17903 14 1 . 1 1 13 13 ALA HA H 7 2.184 2.184 3.177 -0.993 17903 15 1 . 1 1 13 13 ALA H H 7 7.907 7.907 8.237 -0.330 17903 16 1 . 1 1 14 14 THR HA H 8 4.095 4.095 4.016 0.079 17903 17 1 . 1 1 14 14 THR H H 8 7.159 7.159 7.516 -0.357 17903 18 1 . 1 1 15 15 LEU HA H 9 3.744 3.744 4.094 -0.350 17903 19 1 . 1 1 15 15 LEU H H 9 7.867 7.867 8.008 -0.141 17903 20 1 . 1 1 16 16 PHE HA H 10 3.778 3.778 4.182 -0.404 17903 21 1 . 1 1 16 16 PHE H H 10 8.400 8.400 7.907 0.493 17903 22 1 . 1 1 17 17 LYS HA H 11 4.240 4.240 4.150 0.090 17903 23 1 . 1 1 17 17 LYS H H 11 8.101 8.101 7.744 0.357 17903 24 1 . 1 1 18 18 THR HA H 12 4.240 4.240 4.352 -0.112 17903 25 1 . 1 1 18 18 THR H H 12 7.740 7.740 8.098 -0.358 17903 26 1 . 1 1 19 19 ARG HA H 13 4.557 4.557 4.491 0.066 17903 27 1 . 1 1 19 19 ARG H H 13 8.200 8.200 7.550 0.650 17903 28 1 . 1 1 20 20 CYS HA H 14 1.474 1.474 4.231 -2.757 17903 29 1 . 1 1 20 20 CYS H H 14 7.743 7.743 7.794 -0.051 17903 30 1 . 1 1 21 21 LEU HA H 15 6.244 6.244 4.249 1.995 17903 31 1 . 1 1 21 21 LEU H H 15 8.143 8.143 7.866 0.277 17903 32 1 . 1 1 22 22 GLN HA H 16 4.832 4.832 4.032 0.800 17903 33 1 . 1 1 22 22 GLN H H 16 9.961 9.961 7.746 2.215 17903 34 1 . 1 1 23 23 CYS HA H 17 5.661 5.661 4.681 0.980 17903 35 1 . 1 1 23 23 CYS H H 17 9.961 9.961 7.535 2.426 17903 36 1 . 1 1 24 24 HIS HA H 18 8.523 8.523 4.983 3.540 17903 37 1 . 1 1 24 24 HIS H H 18 10.592 10.592 8.450 2.142 17903 38 1 . 1 1 25 25 THR HA H 19 6.076 6.076 4.753 1.323 17903 39 1 . 1 1 25 25 THR H H 19 10.271 10.271 8.592 1.679 17903 40 1 . 1 1 26 26 VAL HA H 20 4.851 4.851 4.213 0.638 17903 41 1 . 1 1 26 26 VAL H H 20 9.167 9.167 8.516 0.651 17903 42 1 . 1 1 27 27 GLU HA H 21 4.468 4.468 4.016 0.452 17903 43 1 . 1 1 27 27 GLU H H 21 9.353 9.353 7.877 1.476 17903 44 1 . 1 1 28 28 LYS HA H 22 3.797 3.797 4.077 -0.280 17903 45 1 . 1 1 28 28 LYS H H 22 9.566 9.566 8.390 1.176 17903 46 1 . 1 1 29 29 GLY H H 23 9.546 9.546 8.478 1.068 17903 47 1 . 1 1 30 30 GLY H H 24 8.353 8.353 7.725 0.628 17903 48 1 . 1 1 31 31 PRO HA H 25 4.557 4.557 4.160 0.396 17903 49 1 . 1 1 32 32 HIS HA H 26 4.856 4.856 4.612 0.244 17903 50 1 . 1 1 33 33 LYS H H 27 8.395 8.395 8.259 0.136 17903 51 1 . 1 1 34 34 VAL HA H 28 3.315 3.315 4.117 -0.802 17903 52 1 . 1 1 34 34 VAL H H 28 7.759 7.759 7.984 -0.225 17903 53 1 . 1 1 35 35 GLY H H 29 7.665 7.665 7.664 0.001 17903 54 1 . 1 1 36 36 PRO HA H 30 3.934 3.934 4.369 -0.435 17903 55 1 . 1 1 37 37 ASN HA H 31 6.160 6.160 5.048 1.112 17903 56 1 . 1 1 37 37 ASN H H 31 9.976 9.976 8.674 1.302 17903 57 1 . 1 1 38 38 LEU HA H 32 4.760 4.760 4.656 0.104 17903 58 1 . 1 1 38 38 LEU H H 32 9.635 9.635 8.334 1.301 17903 59 1 . 1 1 39 39 HIS HA H 33 4.285 4.285 4.508 -0.223 17903 60 1 . 1 1 39 39 HIS H H 33 7.334 7.334 8.628 -1.294 17903 61 1 . 1 1 40 40 GLY H H 34 9.079 9.079 8.669 0.410 17903 62 1 . 1 1 41 41 ILE HA H 35 3.604 3.604 4.041 -0.437 17903 63 1 . 1 1 41 41 ILE H H 35 7.151 7.151 7.828 -0.677 17903 64 1 . 1 1 42 42 PHE HA H 36 4.144 4.144 4.191 -0.047 17903 65 1 . 1 1 42 42 PHE H H 36 7.787 7.787 8.415 -0.628 17903 66 1 . 1 1 43 43 GLY H H 37 8.679 8.679 7.847 0.832 17903 67 1 . 1 1 44 44 ARG H H 38 7.793 7.793 8.109 -0.316 17903 68 1 . 1 1 45 45 HIS HA H 39 5.100 5.100 4.683 0.417 17903 69 1 . 1 1 45 45 HIS H H 39 8.030 8.030 8.753 -0.723 17903 70 1 . 1 1 46 46 SER HA H 40 4.374 4.374 4.342 0.032 17903 71 1 . 1 1 46 46 SER H H 40 8.708 8.708 7.785 0.923 17903 72 1 . 1 1 47 47 GLY H H 41 8.616 8.616 8.182 0.434 17903 73 1 . 1 1 48 48 GLN HA H 42 4.251 4.251 4.580 -0.329 17903 74 1 . 1 1 48 48 GLN H H 42 7.900 7.900 7.604 0.296 17903 75 1 . 1 1 49 49 ALA HA H 43 4.136 4.136 4.705 -0.569 17903 76 1 . 1 1 49 49 ALA H H 43 8.191 8.191 8.459 -0.268 17903 77 1 . 1 1 50 50 GLU HA H 44 4.145 4.145 4.249 -0.104 17903 78 1 . 1 1 50 50 GLU H H 44 8.663 8.663 8.920 -0.257 17903 79 1 . 1 1 51 51 GLY H H 45 7.154 7.154 8.531 -1.377 17903 80 1 . 1 1 52 52 TYR HA H 46 3.699 3.699 4.506 -0.807 17903 81 1 . 1 1 52 52 TYR H H 46 6.933 6.933 7.590 -0.657 17903 82 1 . 1 1 53 53 SER HA H 47 4.100 4.100 4.139 -0.039 17903 83 1 . 1 1 54 54 TYR HA H 48 4.111 4.111 4.066 0.045 17903 84 1 . 1 1 54 54 TYR H H 48 7.563 7.563 8.224 -0.661 17903 85 1 . 1 1 55 55 THR HA H 49 4.265 4.265 4.353 -0.088 17903 86 1 . 1 1 55 55 THR H H 49 7.989 7.989 8.185 -0.196 17903 87 1 . 1 1 56 56 ASP HA H 50 4.316 4.316 4.222 0.094 17903 88 1 . 1 1 56 56 ASP H H 50 8.714 8.714 9.061 -0.347 17903 89 1 . 1 1 57 57 ALA HA H 51 4.120 4.120 4.032 0.088 17903 90 1 . 1 1 57 57 ALA H H 51 8.127 8.127 8.430 -0.303 17903 91 1 . 1 1 58 58 ASN HA H 52 4.659 4.659 4.529 0.130 17903 92 1 . 1 1 58 58 ASN H H 52 8.407 8.407 8.303 0.104 17903 93 1 . 1 1 59 59 ILE HA H 53 3.697 3.697 3.815 -0.117 17903 94 1 . 1 1 59 59 ILE H H 53 7.643 7.643 8.499 -0.856 17903 95 1 . 1 1 60 60 LYS HA H 54 4.106 4.106 4.060 0.046 17903 96 1 . 1 1 60 60 LYS H H 54 8.948 8.948 7.890 1.058 17903 97 1 . 1 1 61 61 LYS HA H 55 4.036 4.036 4.316 -0.280 17903 98 1 . 1 1 61 61 LYS H H 55 7.419 7.419 7.558 -0.139 17903 99 1 . 1 1 62 62 ASN HA H 56 4.301 4.301 4.871 -0.570 17903 100 1 . 1 1 62 62 ASN H H 56 7.414 7.414 8.419 -1.005 17903 101 1 . 1 1 63 63 VAL HA H 57 3.968 3.968 4.036 -0.068 17903 102 1 . 1 1 63 63 VAL H H 57 7.776 7.776 8.155 -0.379 17903 103 1 . 1 1 64 64 LEU HA H 58 3.782 3.782 3.324 0.458 17903 104 1 . 1 1 64 64 LEU H H 58 8.402 8.402 7.984 0.418 17903 105 1 . 1 1 65 65 TRP H H 59 7.766 7.766 8.038 -0.271 17903 106 1 . 1 1 66 66 ASP HA H 60 4.772 4.772 4.876 -0.104 17903 107 1 . 1 1 66 66 ASP H H 60 9.950 9.950 8.302 1.648 17903 108 1 . 1 1 67 67 GLU HA H 61 3.300 3.300 3.984 -0.684 17903 109 1 . 1 1 67 67 GLU H H 61 10.010 10.010 8.913 1.097 17903 110 1 . 1 1 68 68 ASN HA H 62 4.567 4.567 4.558 0.009 17903 111 1 . 1 1 68 68 ASN H H 62 8.207 8.207 8.541 -0.334 17903 112 1 . 1 1 69 69 ASN HA H 63 4.463 4.463 4.474 -0.011 17903 113 1 . 1 1 69 69 ASN H H 63 9.442 9.442 8.214 1.228 17903 114 1 . 1 1 70 70 MET HA H 64 4.330 4.330 3.929 0.401 17903 115 1 . 1 1 70 70 MET H H 64 8.891 8.891 8.788 0.103 17903 116 1 . 1 1 71 71 SER HA H 65 3.572 3.572 4.091 -0.519 17903 117 1 . 1 1 71 71 SER H H 65 7.660 7.660 7.800 -0.140 17903 118 1 . 1 1 72 72 GLU HA H 66 3.910 3.910 4.111 -0.201 17903 119 1 . 1 1 72 72 GLU H H 66 7.657 7.657 7.665 -0.008 17903 120 1 . 1 1 73 73 TYR HA H 67 4.396 4.396 4.287 0.109 17903 121 1 . 1 1 73 73 TYR H H 67 8.935 8.935 7.450 1.485 17903 122 1 . 1 1 74 74 LEU HA H 68 3.752 3.752 3.818 -0.066 17903 123 1 . 1 1 74 74 LEU H H 68 8.189 8.189 8.184 0.005 17903 124 1 . 1 1 75 75 THR HA H 69 3.851 3.851 3.983 -0.132 17903 125 1 . 1 1 75 75 THR H H 69 7.421 7.421 7.516 -0.095 17903 126 1 . 1 1 76 76 ASN HA H 70 5.002 5.002 4.819 0.183 17903 127 1 . 1 1 76 76 ASN H H 70 6.632 6.632 7.581 -0.949 17903 128 1 . 1 1 77 77 HIS HA H 71 10.271 10.271 3.752 6.519 17903 129 1 . 1 1 77 77 HIS H H 71 11.262 11.262 8.665 2.597 17903 130 1 . 1 1 78 78 ALA HA H 72 6.225 6.225 4.402 1.823 17903 131 1 . 1 1 78 78 ALA H H 72 9.567 9.567 7.789 1.778 17903 132 1 . 1 1 79 79 LYS HA H 73 4.461 4.461 4.020 0.441 17903 133 1 . 1 1 79 79 LYS H H 73 8.017 8.017 7.884 0.133 17903 134 1 . 1 1 80 80 TYR HA H 74 4.213 4.213 4.455 -0.242 17903 135 1 . 1 1 80 80 TYR H H 74 8.270 8.270 8.213 0.057 17903 136 1 . 1 1 81 81 ILE HA H 75 4.755 4.755 4.572 0.183 17903 137 1 . 1 1 81 81 ILE H H 75 9.605 9.605 7.674 1.931 17903 138 1 . 1 1 82 82 PRO HA H 76 5.515 5.515 4.433 1.082 17903 139 1 . 1 1 83 83 GLY H H 77 9.364 9.364 8.615 0.749 17903 140 1 . 1 1 84 84 THR HA H 78 5.970 5.970 4.440 1.530 17903 141 1 . 1 1 84 84 THR H H 78 8.938 8.938 7.760 1.178 17903 142 1 . 1 1 85 85 LYS H H 79 8.058 8.058 8.545 -0.487 17903 143 1 . 1 1 86 86 MET HA H 80 4.582 4.582 4.688 -0.106 17903 144 1 . 1 1 86 86 MET H H 80 8.681 8.681 8.287 0.394 17903 145 1 . 1 1 87 87 ALA HA H 81 5.162 5.162 4.431 0.731 17903 146 1 . 1 1 87 87 ALA H H 81 8.014 8.014 8.592 -0.578 17903 147 1 . 1 1 88 88 PHE HA H 82 4.424 4.424 4.578 -0.154 17903 148 1 . 1 1 88 88 PHE H H 82 8.708 8.708 7.846 0.862 17903 149 1 . 1 1 91 91 LEU HA H 85 3.992 3.992 4.493 -0.501 17903 150 1 . 1 1 91 91 LEU H H 85 8.409 8.409 8.713 -0.304 17903 151 1 . 1 1 92 92 LYS HA H 86 3.970 3.970 4.044 -0.074 17903 152 1 . 1 1 92 92 LYS H H 86 8.165 8.165 8.068 0.097 17903 153 1 . 1 1 93 93 LYS HA H 87 4.325 4.325 4.289 0.036 17903 154 1 . 1 1 93 93 LYS H H 87 8.256 8.256 7.955 0.301 17903 155 1 . 1 1 94 94 GLU HA H 88 3.335 3.335 3.993 -0.658 17903 156 1 . 1 1 94 94 GLU H H 88 8.436 8.436 9.078 -0.642 17903 157 1 . 1 1 95 95 LYS HA H 89 3.840 3.840 4.020 -0.180 17903 158 1 . 1 1 95 95 LYS H H 89 8.711 8.711 8.362 0.349 17903 159 1 . 1 1 96 96 ASP HA H 90 4.062 4.062 4.470 -0.408 17903 160 1 . 1 1 96 96 ASP H H 90 6.317 6.317 7.841 -1.524 17903 161 1 . 1 1 97 97 ARG HA H 91 3.416 3.416 3.925 -0.509 17903 162 1 . 1 1 97 97 ARG H H 91 7.422 7.422 7.720 -0.298 17903 163 1 . 1 1 98 98 ASN HA H 92 3.838 3.838 4.620 -0.782 17903 164 1 . 1 1 98 98 ASN H H 92 8.486 8.486 8.567 -0.081 17903 165 1 . 1 1 99 99 ASP HA H 93 4.019 4.019 4.512 -0.493 17903 166 1 . 1 1 99 99 ASP H H 93 8.620 8.620 8.295 0.325 17903 167 1 . 1 1 100 100 LEU HA H 94 3.636 3.636 4.097 -0.461 17903 168 1 . 1 1 100 100 LEU H H 94 8.189 8.189 8.329 -0.139 17903 169 1 . 1 1 101 101 ILE HA H 95 2.826 2.826 3.665 -0.839 17903 170 1 . 1 1 101 101 ILE H H 95 8.672 8.672 7.779 0.893 17903 171 1 . 1 1 102 102 THR HA H 96 3.825 3.825 4.055 -0.230 17903 172 1 . 1 1 102 102 THR H H 96 7.928 7.928 8.137 -0.209 17903 173 1 . 1 1 103 103 TYR HA H 97 3.981 3.981 4.268 -0.287 17903 174 1 . 1 1 103 103 TYR H H 97 7.499 7.499 7.769 -0.270 17903 175 1 . 1 1 104 104 LEU HA H 98 2.939 2.939 3.452 -0.513 17903 176 1 . 1 1 104 104 LEU H H 98 8.853 8.853 8.381 0.472 17903 177 1 . 1 1 105 105 LYS HA H 99 3.286 3.286 3.384 -0.098 17903 178 1 . 1 1 105 105 LYS H H 99 8.294 8.294 8.415 -0.121 17903 179 1 . 1 1 106 106 LYS HA H 100 4.117 4.117 3.973 0.144 17903 180 1 . 1 1 106 106 LYS H H 100 6.365 6.365 7.296 -0.931 17903 181 1 . 1 1 107 107 ALA HA H 101 3.883 3.883 3.965 -0.082 17903 182 1 . 1 1 107 107 ALA H H 101 8.188 8.188 7.507 0.681 17903 183 1 . 1 1 108 108 THR H H 102 6.404 6.404 7.775 -1.371 17903 stop_ save_