data_18134 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18134 _Entry.PDB_ID 2LMR 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 18134 _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 22 22 ILE HA H 22 4.510 4.510 3.933 0.577 18134 2 1 1 . 1 1 22 22 ILE CA C 22 63.400 63.400 62.727 0.673 18134 3 1 1 . 1 1 22 22 ILE CB C 22 39.150 39.150 37.907 1.243 18134 4 1 1 . 1 1 23 23 SER N N 23 120.770 120.770 116.970 3.800 18134 5 1 1 . 1 1 23 23 SER HA H 23 4.170 4.170 4.686 -0.516 18134 6 1 1 . 1 1 23 23 SER H H 23 8.370 8.370 7.694 0.676 18134 7 1 1 . 1 1 26 26 ARG N N 26 123.960 123.960 122.746 1.214 18134 8 1 1 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.728 -0.307 18134 9 1 1 . 1 1 26 26 ARG CA C 26 56.400 56.400 54.811 1.589 18134 10 1 1 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.672 -1.452 18134 11 1 1 . 1 1 26 26 ARG H H 26 8.160 8.160 8.218 -0.058 18134 12 1 1 . 1 1 27 27 THR N N 27 117.400 117.400 111.827 5.573 18134 13 1 1 . 1 1 27 27 THR HA H 27 4.240 4.240 4.426 -0.186 18134 14 1 1 . 1 1 27 27 THR CA C 27 61.710 61.710 61.632 0.078 18134 15 1 1 . 1 1 27 27 THR CB C 27 70.280 70.280 70.280 -0.000 18134 16 1 1 . 1 1 27 27 THR H H 27 8.150 8.150 8.356 -0.206 18134 17 1 1 . 1 1 28 28 LEU N N 28 125.240 125.240 122.412 2.828 18134 18 1 1 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.486 -0.186 18134 19 1 1 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.950 0.850 18134 20 1 1 . 1 1 28 28 LEU CB C 28 42.650 42.650 41.651 0.999 18134 21 1 1 . 1 1 28 28 LEU H H 28 8.230 8.230 8.538 -0.308 18134 22 1 1 . 1 1 29 29 GLU N N 29 123.420 123.420 119.039 4.381 18134 23 1 1 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.490 -0.190 18134 24 1 1 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.543 0.587 18134 25 1 1 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.457 -0.117 18134 26 1 1 . 1 1 29 29 GLU H H 29 8.360 8.360 7.805 0.555 18134 27 1 1 . 1 1 30 30 GLN N N 30 122.830 122.830 118.857 3.973 18134 28 1 1 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.618 -0.078 18134 29 1 1 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.944 0.976 18134 30 1 1 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.332 0.968 18134 31 1 1 . 1 1 30 30 GLN H H 30 8.090 8.090 8.040 0.050 18134 32 1 1 . 1 1 31 31 SER N N 31 120.590 120.590 116.588 4.002 18134 33 1 1 . 1 1 31 31 SER HA H 31 4.700 4.700 4.743 -0.043 18134 34 1 1 . 1 1 31 31 SER CA C 31 57.610 57.610 56.945 0.665 18134 35 1 1 . 1 1 31 31 SER CB C 31 65.900 65.900 65.348 0.552 18134 36 1 1 . 1 1 31 31 SER H H 31 8.760 8.760 8.540 0.220 18134 37 1 1 . 1 1 32 32 VAL N N 32 124.160 124.160 122.701 1.459 18134 38 1 1 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.039 -0.269 18134 39 1 1 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.316 0.314 18134 40 1 1 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.967 0.303 18134 41 1 1 . 1 1 32 32 VAL H H 32 9.030 9.030 9.015 0.015 18134 42 1 1 . 1 1 33 33 GLY N N 33 110.070 110.070 107.405 2.665 18134 43 1 1 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.699 0.501 18134 44 1 1 . 1 1 33 33 GLY H H 33 9.020 9.020 8.592 0.428 18134 45 1 1 . 1 1 34 34 GLU N N 34 124.850 124.850 122.652 2.198 18134 46 1 1 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.148 -0.068 18134 47 1 1 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.966 0.454 18134 48 1 1 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.976 1.364 18134 49 1 1 . 1 1 34 34 GLU H H 34 7.960 7.960 8.427 -0.467 18134 50 1 1 . 1 1 35 35 TRP N N 35 125.670 125.670 121.723 3.947 18134 51 1 1 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.254 -0.014 18134 52 1 1 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.791 0.919 18134 53 1 1 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.170 -0.890 18134 54 1 1 . 1 1 35 35 TRP H H 35 8.580 8.580 8.275 0.305 18134 55 1 1 . 1 1 36 36 LEU N N 36 121.440 121.440 117.335 4.105 18134 56 1 1 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.409 -0.059 18134 57 1 1 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.707 -0.337 18134 58 1 1 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.289 0.631 18134 59 1 1 . 1 1 36 36 LEU H H 36 9.130 9.130 8.446 0.684 18134 60 1 1 . 1 1 37 37 GLU N N 37 122.290 122.290 119.785 2.505 18134 61 1 1 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.002 0.008 18134 62 1 1 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.312 -0.252 18134 63 1 1 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.190 -0.130 18134 64 1 1 . 1 1 37 37 GLU H H 37 8.250 8.250 8.360 -0.110 18134 65 1 1 . 1 1 38 38 SER N N 38 118.850 118.850 113.236 5.614 18134 66 1 1 . 1 1 38 38 SER HA H 38 4.280 4.280 4.317 -0.037 18134 67 1 1 . 1 1 38 38 SER CA C 38 61.820 61.820 60.538 1.282 18134 68 1 1 . 1 1 38 38 SER CB C 38 63.650 63.650 63.380 0.270 18134 69 1 1 . 1 1 38 38 SER H H 38 7.850 7.850 7.775 0.075 18134 70 1 1 . 1 1 39 39 ILE N N 39 115.190 115.190 114.567 0.623 18134 71 1 1 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.457 0.053 18134 72 1 1 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.628 0.362 18134 73 1 1 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.381 -0.721 18134 74 1 1 . 1 1 39 39 ILE H H 39 6.940 6.940 7.268 -0.328 18134 75 1 1 . 1 1 40 40 GLY N N 40 112.250 112.250 109.156 3.094 18134 76 1 1 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.297 1.883 18134 77 1 1 . 1 1 40 40 GLY H H 40 7.630 7.630 8.007 -0.377 18134 78 1 1 . 1 1 41 41 LEU N N 41 121.470 121.470 120.135 1.335 18134 79 1 1 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.530 0.240 18134 80 1 1 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.373 0.257 18134 81 1 1 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.406 0.724 18134 82 1 1 . 1 1 41 41 LEU H H 41 7.810 7.810 8.277 -0.467 18134 83 1 1 . 1 1 42 42 GLN N N 42 122.310 122.310 119.976 2.334 18134 84 1 1 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.868 0.022 18134 85 1 1 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.467 -0.057 18134 86 1 1 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.269 -0.709 18134 87 1 1 . 1 1 42 42 GLN H H 42 9.070 9.070 7.902 1.168 18134 88 1 1 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.088 0.152 18134 89 1 1 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.389 -0.389 18134 90 1 1 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.634 -0.313 18134 91 1 1 . 1 1 44 44 TYR N N 44 121.180 121.180 120.450 0.730 18134 92 1 1 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.519 0.271 18134 93 1 1 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.747 1.833 18134 94 1 1 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.156 0.144 18134 95 1 1 . 1 1 44 44 TYR H H 44 7.640 7.640 7.996 -0.356 18134 96 1 1 . 1 1 45 45 GLU N N 45 124.810 124.810 120.978 3.832 18134 97 1 1 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.887 -0.277 18134 98 1 1 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.128 1.462 18134 99 1 1 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.153 0.937 18134 100 1 1 . 1 1 45 45 GLU H H 45 7.850 7.850 7.711 0.139 18134 101 1 1 . 1 1 46 46 SER N N 46 114.660 114.660 115.361 -0.701 18134 102 1 1 . 1 1 46 46 SER HA H 46 4.000 4.000 4.193 -0.193 18134 103 1 1 . 1 1 46 46 SER CA C 46 62.920 62.920 61.502 1.418 18134 104 1 1 . 1 1 46 46 SER H H 46 8.790 8.790 8.214 0.576 18134 105 1 1 . 1 1 47 47 LYS N N 47 122.810 122.810 120.804 2.006 18134 106 1 1 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.165 -0.045 18134 107 1 1 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.904 0.656 18134 108 1 1 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.393 0.557 18134 109 1 1 . 1 1 47 47 LYS H H 47 7.810 7.810 7.725 0.085 18134 110 1 1 . 1 1 48 48 LEU N N 48 121.420 121.420 118.943 2.477 18134 111 1 1 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.308 -0.098 18134 112 1 1 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.541 2.879 18134 113 1 1 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.792 -1.442 18134 114 1 1 . 1 1 48 48 LEU H H 48 8.010 8.010 7.385 0.625 18134 115 1 1 . 1 1 49 49 LEU N N 49 121.260 121.260 120.970 0.290 18134 116 1 1 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.404 -0.514 18134 117 1 1 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.542 1.518 18134 118 1 1 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.519 -0.599 18134 119 1 1 . 1 1 49 49 LEU H H 49 8.520 8.520 7.677 0.843 18134 120 1 1 . 1 1 50 50 LEU N N 50 121.260 121.260 120.787 0.473 18134 121 1 1 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.082 0.138 18134 122 1 1 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.422 -0.412 18134 123 1 1 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.979 0.181 18134 124 1 1 . 1 1 50 50 LEU H H 50 8.530 8.530 8.556 -0.026 18134 125 1 1 . 1 1 51 51 ASN N N 51 116.660 116.660 116.254 0.406 18134 126 1 1 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.798 0.042 18134 127 1 1 . 1 1 51 51 ASN CA C 51 54.110 54.110 52.956 1.153 18134 128 1 1 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.943 2.017 18134 129 1 1 . 1 1 51 51 ASN H H 51 7.280 7.280 7.749 -0.469 18134 130 1 1 . 1 1 52 52 GLY N N 52 107.530 107.530 107.818 -0.288 18134 131 1 1 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.404 -0.274 18134 132 1 1 . 1 1 52 52 GLY H H 52 7.720 7.720 7.786 -0.066 18134 133 1 1 . 1 1 53 53 PHE N N 53 123.430 123.430 118.725 4.705 18134 134 1 1 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.788 0.012 18134 135 1 1 . 1 1 53 53 PHE CA C 53 56.650 56.650 55.858 0.792 18134 136 1 1 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.683 -1.583 18134 137 1 1 . 1 1 53 53 PHE H H 53 8.210 8.210 7.615 0.595 18134 138 1 1 . 1 1 54 54 ASP N N 54 117.170 117.170 118.953 -1.783 18134 139 1 1 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.535 0.035 18134 140 1 1 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.261 -1.271 18134 141 1 1 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.688 1.112 18134 142 1 1 . 1 1 54 54 ASP H H 54 7.720 7.720 8.316 -0.596 18134 143 1 1 . 1 1 55 55 ASP N N 55 121.390 121.390 121.679 -0.289 18134 144 1 1 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.510 0.150 18134 145 1 1 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.444 -1.174 18134 146 1 1 . 1 1 55 55 ASP H H 55 7.830 7.830 8.272 -0.442 18134 147 1 1 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.828 -0.418 18134 148 1 1 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.882 1.178 18134 149 1 1 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.662 0.118 18134 150 1 1 . 1 1 56 56 VAL H H 56 8.800 8.800 8.465 0.335 18134 151 1 1 . 1 1 57 57 HIS N N 57 121.390 121.390 117.317 4.073 18134 152 1 1 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.604 -0.404 18134 153 1 1 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.428 -0.298 18134 154 1 1 . 1 1 57 57 HIS H H 57 8.390 8.390 8.522 -0.132 18134 155 1 1 . 1 1 58 58 PHE N N 58 121.980 121.980 117.608 4.372 18134 156 1 1 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.691 -0.331 18134 157 1 1 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.797 2.353 18134 158 1 1 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.321 -0.451 18134 159 1 1 . 1 1 58 58 PHE H H 58 7.930 7.930 7.820 0.110 18134 160 1 1 . 1 1 59 59 LEU N N 59 121.800 121.800 120.108 1.692 18134 161 1 1 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.058 -0.018 18134 162 1 1 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.661 0.069 18134 163 1 1 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.559 0.361 18134 164 1 1 . 1 1 59 59 LEU H H 59 7.730 7.730 7.618 0.112 18134 165 1 1 . 1 1 60 60 GLY N N 60 106.180 106.180 101.199 4.981 18134 166 1 1 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.899 1.201 18134 167 1 1 . 1 1 60 60 GLY H H 60 7.800 7.800 8.186 -0.386 18134 168 1 1 . 1 1 61 61 SER N N 61 116.150 116.150 115.518 0.632 18134 169 1 1 . 1 1 61 61 SER HA H 61 4.770 4.770 4.250 0.520 18134 170 1 1 . 1 1 61 61 SER CA C 61 59.370 59.370 59.092 0.278 18134 171 1 1 . 1 1 61 61 SER CB C 61 64.450 64.450 63.513 0.937 18134 172 1 1 . 1 1 61 61 SER H H 61 7.610 7.610 7.660 -0.050 18134 173 1 1 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.576 0.094 18134 174 1 1 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.158 -0.288 18134 175 1 1 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.467 -0.317 18134 176 1 1 . 1 1 63 63 VAL N N 63 120.030 120.030 122.603 -2.573 18134 177 1 1 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.827 0.263 18134 178 1 1 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.170 -1.490 18134 179 1 1 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.319 0.551 18134 180 1 1 . 1 1 63 63 VAL H H 63 7.770 7.770 8.482 -0.712 18134 181 1 1 . 1 1 64 64 MET N N 64 125.400 125.400 115.757 9.643 18134 182 1 1 . 1 1 64 64 MET HA H 64 4.460 4.460 4.116 0.344 18134 183 1 1 . 1 1 64 64 MET CA C 64 55.610 55.610 56.186 -0.576 18134 184 1 1 . 1 1 64 64 MET CB C 64 34.400 34.400 30.065 4.335 18134 185 1 1 . 1 1 64 64 MET H H 64 7.900 7.900 8.208 -0.308 18134 186 1 1 . 1 1 65 65 GLU N N 65 124.210 124.210 118.738 5.472 18134 187 1 1 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.423 0.257 18134 188 1 1 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.497 -0.777 18134 189 1 1 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.090 0.910 18134 190 1 1 . 1 1 65 65 GLU H H 65 8.810 8.810 7.816 0.994 18134 191 1 1 . 1 1 66 66 GLU N N 66 125.500 125.500 120.415 5.085 18134 192 1 1 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.867 -0.207 18134 193 1 1 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.813 1.806 18134 194 1 1 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.391 -0.141 18134 195 1 1 . 1 1 66 66 GLU H H 66 9.290 9.290 8.865 0.425 18134 196 1 1 . 1 1 67 67 GLN N N 67 119.780 119.780 119.210 0.570 18134 197 1 1 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.016 -0.276 18134 198 1 1 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.544 -0.484 18134 199 1 1 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.097 0.983 18134 200 1 1 . 1 1 67 67 GLN H H 67 9.090 9.090 8.489 0.601 18134 201 1 1 . 1 1 68 68 ASP N N 68 119.450 119.450 119.764 -0.314 18134 202 1 1 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.478 -0.018 18134 203 1 1 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.254 0.546 18134 204 1 1 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.536 0.854 18134 205 1 1 . 1 1 68 68 ASP H H 68 7.400 7.400 7.553 -0.153 18134 206 1 1 . 1 1 69 69 LEU N N 69 116.950 116.950 118.779 -1.829 18134 207 1 1 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.994 0.146 18134 208 1 1 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.767 -0.238 18134 209 1 1 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.559 0.001 18134 210 1 1 . 1 1 69 69 LEU H H 69 7.180 7.180 7.628 -0.448 18134 211 1 1 . 1 1 70 70 ARG N N 70 123.140 123.140 119.666 3.474 18134 212 1 1 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.081 -0.161 18134 213 1 1 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.876 0.904 18134 214 1 1 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.191 0.029 18134 215 1 1 . 1 1 70 70 ARG H H 70 7.990 7.990 7.847 0.143 18134 216 1 1 . 1 1 71 71 ASP N N 71 121.960 121.960 118.452 3.508 18134 217 1 1 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.452 -0.002 18134 218 1 1 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.750 0.610 18134 219 1 1 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.908 -0.358 18134 220 1 1 . 1 1 71 71 ASP H H 71 8.460 8.460 8.267 0.193 18134 221 1 1 . 1 1 72 72 ILE N N 72 112.900 112.900 112.761 0.139 18134 222 1 1 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.021 0.469 18134 223 1 1 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.181 -0.221 18134 224 1 1 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.523 -0.223 18134 225 1 1 . 1 1 72 72 ILE H H 72 7.180 7.180 7.408 -0.228 18134 226 1 1 . 1 1 73 73 GLY N N 73 108.400 108.400 106.836 1.564 18134 227 1 1 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.832 1.318 18134 228 1 1 . 1 1 73 73 GLY H H 73 7.650 7.650 7.268 0.382 18134 229 1 1 . 1 1 74 74 ILE N N 74 123.110 123.110 124.530 -1.420 18134 230 1 1 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.502 0.628 18134 231 1 1 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.163 -0.933 18134 232 1 1 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.497 -2.057 18134 233 1 1 . 1 1 74 74 ILE H H 74 7.860 7.860 7.543 0.317 18134 234 1 1 . 1 1 75 75 SER HA H 75 3.820 3.820 4.530 -0.710 18134 235 1 1 . 1 1 75 75 SER CA C 75 59.540 59.540 57.271 2.269 18134 236 1 1 . 1 1 75 75 SER CB C 75 63.630 63.630 64.190 -0.560 18134 237 1 1 . 1 1 76 76 ASP N N 76 127.640 127.640 123.585 4.055 18134 238 1 1 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.975 -0.175 18134 239 1 1 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.728 0.572 18134 240 1 1 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.707 -0.667 18134 241 1 1 . 1 1 76 76 ASP H H 76 8.000 8.000 7.735 0.265 18134 242 1 1 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.302 -0.312 18134 243 1 1 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.620 -0.040 18134 244 1 1 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.105 2.335 18134 245 1 1 . 1 1 78 78 GLN N N 78 120.390 120.390 116.622 3.768 18134 246 1 1 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.230 -0.080 18134 247 1 1 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.967 1.213 18134 248 1 1 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.949 -0.149 18134 249 1 1 . 1 1 78 78 GLN H H 78 8.200 8.200 8.719 -0.519 18134 250 1 1 . 1 1 79 79 HIS N N 79 123.160 123.160 116.028 7.132 18134 251 1 1 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.623 -0.223 18134 252 1 1 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.364 1.127 18134 253 1 1 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.550 0.630 18134 254 1 1 . 1 1 79 79 HIS H H 79 8.060 8.060 7.883 0.177 18134 255 1 1 . 1 1 80 80 ARG N N 80 118.250 118.250 120.655 -2.405 18134 256 1 1 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.210 -0.450 18134 257 1 1 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.476 2.364 18134 258 1 1 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.636 1.144 18134 259 1 1 . 1 1 80 80 ARG H H 80 8.060 8.060 8.118 -0.058 18134 260 1 1 . 1 1 81 81 ARG N N 81 118.850 118.850 119.242 -0.392 18134 261 1 1 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.155 -0.225 18134 262 1 1 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.629 1.641 18134 263 1 1 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.901 0.319 18134 264 1 1 . 1 1 81 81 ARG H H 81 7.700 7.700 8.078 -0.378 18134 265 1 1 . 1 1 82 82 LYS N N 82 121.700 121.700 119.799 1.901 18134 266 1 1 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.173 -0.123 18134 267 1 1 . 1 1 82 82 LYS CA C 82 59.660 59.660 58.838 0.822 18134 268 1 1 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.094 1.016 18134 269 1 1 . 1 1 82 82 LYS H H 82 8.030 8.030 7.904 0.126 18134 270 1 1 . 1 1 83 83 LEU N N 83 122.310 122.310 120.210 2.100 18134 271 1 1 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.088 -0.278 18134 272 1 1 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.311 1.149 18134 273 1 1 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.145 1.505 18134 274 1 1 . 1 1 83 83 LEU H H 83 8.130 8.130 7.547 0.583 18134 275 1 1 . 1 1 84 84 LEU N N 84 119.760 119.760 118.119 1.641 18134 276 1 1 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.207 -0.237 18134 277 1 1 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.093 1.247 18134 278 1 1 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.599 0.441 18134 279 1 1 . 1 1 84 84 LEU H H 84 8.030 8.030 7.537 0.493 18134 280 1 1 . 1 1 85 85 GLN N N 85 119.520 119.520 119.803 -0.283 18134 281 1 1 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.084 -0.084 18134 282 1 1 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.143 -0.143 18134 283 1 1 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.540 0.350 18134 284 1 1 . 1 1 85 85 GLN H H 85 8.340 8.340 7.539 0.801 18134 285 1 1 . 1 1 86 86 ALA N N 86 124.280 124.280 120.775 3.505 18134 286 1 1 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.352 -0.062 18134 287 1 1 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.443 0.757 18134 288 1 1 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.529 0.821 18134 289 1 1 . 1 1 86 86 ALA H H 86 8.320 8.320 8.369 -0.049 18134 290 1 1 . 1 1 87 87 ALA N N 87 124.840 124.840 122.093 2.747 18134 291 1 1 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.084 -0.034 18134 292 1 1 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.387 0.933 18134 293 1 1 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.691 -0.541 18134 294 1 1 . 1 1 87 87 ALA H H 87 8.770 8.770 7.745 1.025 18134 295 1 1 . 1 1 88 88 ARG N N 88 118.020 118.020 117.006 1.014 18134 296 1 1 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.166 0.074 18134 297 1 1 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.057 0.033 18134 298 1 1 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.337 0.103 18134 299 1 1 . 1 1 88 88 ARG H H 88 8.010 8.010 7.756 0.254 18134 300 1 1 . 1 1 89 89 SER N N 89 115.060 115.060 113.309 1.751 18134 301 1 1 . 1 1 89 89 SER HA H 89 4.530 4.530 4.329 0.201 18134 302 1 1 . 1 1 89 89 SER CA C 89 58.630 58.630 59.712 -1.082 18134 303 1 1 . 1 1 89 89 SER CB C 89 64.370 64.370 63.677 0.693 18134 304 1 1 . 1 1 89 89 SER H H 89 7.620 7.620 7.780 -0.160 18134 305 1 1 . 1 1 90 90 LEU N N 90 126.540 126.540 123.431 3.109 18134 306 1 1 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.204 0.206 18134 307 1 1 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.214 0.257 18134 308 1 1 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.772 -0.332 18134 309 1 1 . 1 1 90 90 LEU H H 90 7.350 7.350 7.066 0.284 18134 310 1 1 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.434 -0.044 18134 311 1 1 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.487 0.793 18134 312 1 1 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.346 0.164 18134 313 1 1 . 1 1 92 92 LYS N N 92 122.480 122.480 115.381 7.099 18134 314 1 1 . 1 1 92 92 LYS HA H 92 4.320 4.320 3.939 0.381 18134 315 1 1 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.630 -0.350 18134 316 1 1 . 1 1 92 92 LYS CB C 92 33.350 33.350 31.325 2.025 18134 317 1 1 . 1 1 92 92 LYS H H 92 8.330 8.330 8.588 -0.259 18134 318 1 1 . 1 1 93 93 VAL N N 93 122.310 122.310 118.914 3.396 18134 319 1 1 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.311 -0.241 18134 320 1 1 . 1 1 93 93 VAL CA C 93 63.130 63.130 60.381 2.749 18134 321 1 1 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.002 -0.772 18134 322 1 1 . 1 1 93 93 VAL H H 93 8.060 8.060 7.783 0.277 18134 323 1 1 . 1 1 94 94 LYS N N 94 127.330 127.330 125.680 1.650 18134 324 1 1 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.208 0.082 18134 325 1 1 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.533 -0.003 18134 326 1 1 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.826 1.644 18134 327 1 1 . 1 1 94 94 LYS H H 94 8.340 8.340 8.481 -0.141 18134 328 1 1 . 1 1 95 95 ALA N N 95 127.620 127.620 126.658 0.962 18134 329 1 1 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.182 0.088 18134 330 1 1 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.689 0.291 18134 331 1 1 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.242 0.108 18134 332 1 1 . 1 1 95 95 ALA H H 95 8.290 8.290 8.458 -0.168 18134 333 1 1 . 1 1 96 96 LEU N N 96 123.670 123.670 123.478 0.192 18134 334 1 1 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.514 -0.214 18134 335 1 1 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.116 1.414 18134 336 1 1 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.571 0.079 18134 337 1 1 . 1 1 96 96 LEU H H 96 8.240 8.240 8.581 -0.341 18134 338 1 1 . 1 1 97 97 GLY N N 97 111.540 111.540 104.948 6.592 18134 339 1 1 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.987 0.793 18134 340 1 1 . 1 1 97 97 GLY H H 97 8.400 8.400 7.714 0.686 18134 341 1 1 . 1 1 98 98 TYR N N 98 122.570 122.570 118.658 3.912 18134 342 1 1 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.173 0.417 18134 343 1 1 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.857 0.483 18134 344 1 1 . 1 1 98 98 TYR CB C 98 39.150 39.150 38.278 0.872 18134 345 1 1 . 1 1 98 98 TYR H H 98 8.060 8.060 7.945 0.115 18134 346 1 1 . 1 1 99 99 ASP N N 99 124.880 124.880 121.262 3.618 18134 347 1 1 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.640 -0.080 18134 348 1 1 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.537 0.863 18134 349 1 1 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.630 0.020 18134 350 1 1 . 1 1 99 99 ASP H H 99 8.350 8.350 8.434 -0.084 18134 351 1 1 . 1 1 100 100 GLY N N 100 110.340 110.340 110.628 -0.288 18134 352 1 1 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.022 0.588 18134 353 1 1 . 1 1 100 100 GLY H H 100 7.540 7.540 8.653 -1.113 18134 354 1 2 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.407 0.103 18134 355 1 2 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.317 2.083 18134 356 1 2 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.676 0.474 18134 357 1 2 . 1 1 23 23 SER N N 23 120.770 120.770 115.935 4.835 18134 358 1 2 . 1 1 23 23 SER HA H 23 4.170 4.170 4.242 -0.072 18134 359 1 2 . 1 1 23 23 SER H H 23 8.370 8.370 8.528 -0.158 18134 360 1 2 . 1 1 26 26 ARG N N 26 123.960 123.960 121.304 2.656 18134 361 1 2 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.285 0.135 18134 362 1 2 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.869 -0.469 18134 363 1 2 . 1 1 26 26 ARG CB C 26 30.220 30.220 29.695 0.525 18134 364 1 2 . 1 1 26 26 ARG H H 26 8.160 8.160 8.622 -0.462 18134 365 1 2 . 1 1 27 27 THR N N 27 117.400 117.400 115.627 1.773 18134 366 1 2 . 1 1 27 27 THR HA H 27 4.240 4.240 4.568 -0.328 18134 367 1 2 . 1 1 27 27 THR CA C 27 61.710 61.710 61.140 0.570 18134 368 1 2 . 1 1 27 27 THR CB C 27 70.280 70.280 70.347 -0.067 18134 369 1 2 . 1 1 27 27 THR H H 27 8.150 8.150 8.180 -0.030 18134 370 1 2 . 1 1 28 28 LEU N N 28 125.240 125.240 121.126 4.114 18134 371 1 2 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.561 -0.261 18134 372 1 2 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.371 1.429 18134 373 1 2 . 1 1 28 28 LEU CB C 28 42.650 42.650 45.910 -3.260 18134 374 1 2 . 1 1 28 28 LEU H H 28 8.230 8.230 8.570 -0.340 18134 375 1 2 . 1 1 29 29 GLU N N 29 123.420 123.420 121.433 1.987 18134 376 1 2 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.444 -0.144 18134 377 1 2 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.814 1.316 18134 378 1 2 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.918 0.422 18134 379 1 2 . 1 1 29 29 GLU H H 29 8.360 8.360 8.405 -0.045 18134 380 1 2 . 1 1 30 30 GLN N N 30 122.830 122.830 119.085 3.745 18134 381 1 2 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.203 0.337 18134 382 1 2 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.315 -0.395 18134 383 1 2 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.312 1.988 18134 384 1 2 . 1 1 30 30 GLN H H 30 8.090 8.090 7.828 0.262 18134 385 1 2 . 1 1 31 31 SER N N 31 120.590 120.590 116.972 3.618 18134 386 1 2 . 1 1 31 31 SER HA H 31 4.700 4.700 4.493 0.207 18134 387 1 2 . 1 1 31 31 SER CA C 31 57.610 57.610 56.753 0.857 18134 388 1 2 . 1 1 31 31 SER CB C 31 65.900 65.900 64.392 1.508 18134 389 1 2 . 1 1 31 31 SER H H 31 8.760 8.760 8.232 0.528 18134 390 1 2 . 1 1 32 32 VAL N N 32 124.160 124.160 121.995 2.165 18134 391 1 2 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.102 -0.332 18134 392 1 2 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.879 0.751 18134 393 1 2 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.483 0.787 18134 394 1 2 . 1 1 32 32 VAL H H 32 9.030 9.030 8.982 0.048 18134 395 1 2 . 1 1 33 33 GLY N N 33 110.070 110.070 107.799 2.271 18134 396 1 2 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.896 0.304 18134 397 1 2 . 1 1 33 33 GLY H H 33 9.020 9.020 8.701 0.319 18134 398 1 2 . 1 1 34 34 GLU N N 34 124.850 124.850 123.220 1.630 18134 399 1 2 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.117 -0.037 18134 400 1 2 . 1 1 34 34 GLU CA C 34 59.420 59.420 59.133 0.286 18134 401 1 2 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.062 1.278 18134 402 1 2 . 1 1 34 34 GLU H H 34 7.960 7.960 8.564 -0.604 18134 403 1 2 . 1 1 35 35 TRP N N 35 125.670 125.670 121.309 4.361 18134 404 1 2 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.333 -0.093 18134 405 1 2 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.242 1.468 18134 406 1 2 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.091 -0.811 18134 407 1 2 . 1 1 35 35 TRP H H 35 8.580 8.580 8.296 0.284 18134 408 1 2 . 1 1 36 36 LEU N N 36 121.440 121.440 117.368 4.072 18134 409 1 2 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.396 -0.046 18134 410 1 2 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.731 -0.361 18134 411 1 2 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.281 0.639 18134 412 1 2 . 1 1 36 36 LEU H H 36 9.130 9.130 8.462 0.668 18134 413 1 2 . 1 1 37 37 GLU N N 37 122.290 122.290 119.580 2.710 18134 414 1 2 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.999 0.011 18134 415 1 2 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.208 -0.148 18134 416 1 2 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.386 -0.326 18134 417 1 2 . 1 1 37 37 GLU H H 37 8.250 8.250 8.470 -0.220 18134 418 1 2 . 1 1 38 38 SER N N 38 118.850 118.850 113.060 5.790 18134 419 1 2 . 1 1 38 38 SER HA H 38 4.280 4.280 4.294 -0.014 18134 420 1 2 . 1 1 38 38 SER CA C 38 61.820 61.820 60.412 1.408 18134 421 1 2 . 1 1 38 38 SER CB C 38 63.650 63.650 63.433 0.217 18134 422 1 2 . 1 1 38 38 SER H H 38 7.850 7.850 7.839 0.011 18134 423 1 2 . 1 1 39 39 ILE N N 39 115.190 115.190 112.416 2.774 18134 424 1 2 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.362 0.148 18134 425 1 2 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.772 0.218 18134 426 1 2 . 1 1 39 39 ILE CB C 39 38.660 38.660 38.983 -0.322 18134 427 1 2 . 1 1 39 39 ILE H H 39 6.940 6.940 7.121 -0.181 18134 428 1 2 . 1 1 40 40 GLY N N 40 112.250 112.250 108.581 3.669 18134 429 1 2 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.633 1.547 18134 430 1 2 . 1 1 40 40 GLY H H 40 7.630 7.630 7.840 -0.210 18134 431 1 2 . 1 1 41 41 LEU N N 41 121.470 121.470 120.037 1.433 18134 432 1 2 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.574 0.196 18134 433 1 2 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.292 0.338 18134 434 1 2 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.239 0.891 18134 435 1 2 . 1 1 41 41 LEU H H 41 7.810 7.810 8.194 -0.384 18134 436 1 2 . 1 1 42 42 GLN N N 42 122.310 122.310 120.007 2.303 18134 437 1 2 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.846 0.044 18134 438 1 2 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.352 0.057 18134 439 1 2 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.181 -0.621 18134 440 1 2 . 1 1 42 42 GLN H H 42 9.070 9.070 7.775 1.295 18134 441 1 2 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.063 0.177 18134 442 1 2 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.389 -0.389 18134 443 1 2 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.564 -0.244 18134 444 1 2 . 1 1 44 44 TYR N N 44 121.180 121.180 120.191 0.989 18134 445 1 2 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.536 0.254 18134 446 1 2 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.040 1.540 18134 447 1 2 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.950 0.350 18134 448 1 2 . 1 1 44 44 TYR H H 44 7.640 7.640 8.080 -0.440 18134 449 1 2 . 1 1 45 45 GLU N N 45 124.810 124.810 120.742 4.068 18134 450 1 2 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.938 -0.328 18134 451 1 2 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.888 1.702 18134 452 1 2 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.394 0.696 18134 453 1 2 . 1 1 45 45 GLU H H 45 7.850 7.850 7.659 0.191 18134 454 1 2 . 1 1 46 46 SER N N 46 114.660 114.660 115.106 -0.446 18134 455 1 2 . 1 1 46 46 SER HA H 46 4.000 4.000 4.185 -0.185 18134 456 1 2 . 1 1 46 46 SER CA C 46 62.920 62.920 61.849 1.071 18134 457 1 2 . 1 1 46 46 SER H H 46 8.790 8.790 8.197 0.593 18134 458 1 2 . 1 1 47 47 LYS N N 47 122.810 122.810 120.785 2.025 18134 459 1 2 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.178 -0.058 18134 460 1 2 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.238 1.322 18134 461 1 2 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.009 0.941 18134 462 1 2 . 1 1 47 47 LYS H H 47 7.810 7.810 7.676 0.134 18134 463 1 2 . 1 1 48 48 LEU N N 48 121.420 121.420 117.715 3.705 18134 464 1 2 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.306 -0.096 18134 465 1 2 . 1 1 48 48 LEU CA C 48 59.420 59.420 55.954 3.466 18134 466 1 2 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.823 -1.473 18134 467 1 2 . 1 1 48 48 LEU H H 48 8.010 8.010 7.442 0.568 18134 468 1 2 . 1 1 49 49 LEU N N 49 121.260 121.260 120.686 0.574 18134 469 1 2 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.388 -0.498 18134 470 1 2 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.420 1.640 18134 471 1 2 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.666 -0.746 18134 472 1 2 . 1 1 49 49 LEU H H 49 8.520 8.520 7.396 1.124 18134 473 1 2 . 1 1 50 50 LEU N N 50 121.260 121.260 120.751 0.509 18134 474 1 2 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.070 0.150 18134 475 1 2 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.440 -0.430 18134 476 1 2 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.989 0.171 18134 477 1 2 . 1 1 50 50 LEU H H 50 8.530 8.530 8.570 -0.040 18134 478 1 2 . 1 1 51 51 ASN N N 51 116.660 116.660 116.050 0.610 18134 479 1 2 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.779 0.061 18134 480 1 2 . 1 1 51 51 ASN CA C 51 54.110 54.110 52.965 1.145 18134 481 1 2 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.895 2.065 18134 482 1 2 . 1 1 51 51 ASN H H 51 7.280 7.280 7.695 -0.415 18134 483 1 2 . 1 1 52 52 GLY N N 52 107.530 107.530 107.684 -0.154 18134 484 1 2 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.357 -0.227 18134 485 1 2 . 1 1 52 52 GLY H H 52 7.720 7.720 7.669 0.051 18134 486 1 2 . 1 1 53 53 PHE N N 53 123.430 123.430 118.753 4.677 18134 487 1 2 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.677 0.123 18134 488 1 2 . 1 1 53 53 PHE CA C 53 56.650 56.650 55.732 0.918 18134 489 1 2 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.578 -1.478 18134 490 1 2 . 1 1 53 53 PHE H H 53 8.210 8.210 7.559 0.651 18134 491 1 2 . 1 1 54 54 ASP N N 54 117.170 117.170 118.908 -1.738 18134 492 1 2 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.511 0.059 18134 493 1 2 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.277 -1.287 18134 494 1 2 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.745 1.055 18134 495 1 2 . 1 1 54 54 ASP H H 54 7.720 7.720 8.312 -0.592 18134 496 1 2 . 1 1 55 55 ASP N N 55 121.390 121.390 121.722 -0.332 18134 497 1 2 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.395 0.265 18134 498 1 2 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.326 -1.056 18134 499 1 2 . 1 1 55 55 ASP H H 55 7.830 7.830 8.178 -0.348 18134 500 1 2 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.784 -0.374 18134 501 1 2 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.778 1.282 18134 502 1 2 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.527 0.253 18134 503 1 2 . 1 1 56 56 VAL H H 56 8.800 8.800 8.487 0.313 18134 504 1 2 . 1 1 57 57 HIS N N 57 121.390 121.390 114.291 7.099 18134 505 1 2 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.628 -0.428 18134 506 1 2 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.507 0.623 18134 507 1 2 . 1 1 57 57 HIS H H 57 8.390 8.390 8.213 0.177 18134 508 1 2 . 1 1 58 58 PHE N N 58 121.980 121.980 119.406 2.574 18134 509 1 2 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.646 -0.285 18134 510 1 2 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.945 2.205 18134 511 1 2 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.662 -0.792 18134 512 1 2 . 1 1 58 58 PHE H H 58 7.930 7.930 7.628 0.302 18134 513 1 2 . 1 1 59 59 LEU N N 59 121.800 121.800 120.344 1.456 18134 514 1 2 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.218 -0.178 18134 515 1 2 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.322 0.408 18134 516 1 2 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.312 0.608 18134 517 1 2 . 1 1 59 59 LEU H H 59 7.730 7.730 7.540 0.190 18134 518 1 2 . 1 1 60 60 GLY N N 60 106.180 106.180 101.268 4.912 18134 519 1 2 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.759 1.341 18134 520 1 2 . 1 1 60 60 GLY H H 60 7.800 7.800 8.286 -0.486 18134 521 1 2 . 1 1 61 61 SER N N 61 116.150 116.150 115.708 0.442 18134 522 1 2 . 1 1 61 61 SER HA H 61 4.770 4.770 4.476 0.294 18134 523 1 2 . 1 1 61 61 SER CA C 61 59.370 59.370 58.149 1.221 18134 524 1 2 . 1 1 61 61 SER CB C 61 64.450 64.450 64.268 0.182 18134 525 1 2 . 1 1 61 61 SER H H 61 7.610 7.610 8.041 -0.431 18134 526 1 2 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.764 -0.094 18134 527 1 2 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.552 -0.682 18134 528 1 2 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.740 -0.590 18134 529 1 2 . 1 1 63 63 VAL N N 63 120.030 120.030 122.999 -2.969 18134 530 1 2 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.823 0.267 18134 531 1 2 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.724 -2.044 18134 532 1 2 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.257 0.613 18134 533 1 2 . 1 1 63 63 VAL H H 63 7.770 7.770 8.685 -0.915 18134 534 1 2 . 1 1 64 64 MET N N 64 125.400 125.400 115.743 9.657 18134 535 1 2 . 1 1 64 64 MET HA H 64 4.460 4.460 4.052 0.408 18134 536 1 2 . 1 1 64 64 MET CA C 64 55.610 55.610 55.795 -0.185 18134 537 1 2 . 1 1 64 64 MET CB C 64 34.400 34.400 30.973 3.427 18134 538 1 2 . 1 1 64 64 MET H H 64 7.900 7.900 8.353 -0.453 18134 539 1 2 . 1 1 65 65 GLU N N 65 124.210 124.210 118.955 5.255 18134 540 1 2 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.323 0.357 18134 541 1 2 . 1 1 65 65 GLU CA C 65 54.720 54.720 56.590 -1.870 18134 542 1 2 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.340 1.660 18134 543 1 2 . 1 1 65 65 GLU H H 65 8.810 8.810 8.191 0.619 18134 544 1 2 . 1 1 66 66 GLU N N 66 125.500 125.500 118.607 6.893 18134 545 1 2 . 1 1 66 66 GLU HA H 66 3.660 3.660 4.027 -0.367 18134 546 1 2 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.013 2.607 18134 547 1 2 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.400 -0.150 18134 548 1 2 . 1 1 66 66 GLU H H 66 9.290 9.290 8.823 0.467 18134 549 1 2 . 1 1 67 67 GLN N N 67 119.780 119.780 119.689 0.091 18134 550 1 2 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.226 -0.486 18134 551 1 2 . 1 1 67 67 GLN CA C 67 59.060 59.060 58.618 0.442 18134 552 1 2 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.998 1.082 18134 553 1 2 . 1 1 67 67 GLN H H 67 9.090 9.090 8.389 0.701 18134 554 1 2 . 1 1 68 68 ASP N N 68 119.450 119.450 119.280 0.170 18134 555 1 2 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.472 -0.012 18134 556 1 2 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.377 0.423 18134 557 1 2 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.468 0.922 18134 558 1 2 . 1 1 68 68 ASP H H 68 7.400 7.400 8.635 -1.235 18134 559 1 2 . 1 1 69 69 LEU N N 69 116.950 116.950 117.493 -0.543 18134 560 1 2 . 1 1 69 69 LEU HA H 69 4.140 4.140 4.016 0.124 18134 561 1 2 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.844 -0.314 18134 562 1 2 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.408 0.152 18134 563 1 2 . 1 1 69 69 LEU H H 69 7.180 7.180 7.336 -0.156 18134 564 1 2 . 1 1 70 70 ARG N N 70 123.140 123.140 119.622 3.518 18134 565 1 2 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.062 -0.142 18134 566 1 2 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.814 0.966 18134 567 1 2 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.075 0.145 18134 568 1 2 . 1 1 70 70 ARG H H 70 7.990 7.990 7.388 0.602 18134 569 1 2 . 1 1 71 71 ASP N N 71 121.960 121.960 118.426 3.534 18134 570 1 2 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.444 0.006 18134 571 1 2 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.681 0.679 18134 572 1 2 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.892 -0.341 18134 573 1 2 . 1 1 71 71 ASP H H 71 8.460 8.460 8.319 0.141 18134 574 1 2 . 1 1 72 72 ILE N N 72 112.900 112.900 112.918 -0.018 18134 575 1 2 . 1 1 72 72 ILE HA H 72 4.490 4.490 3.998 0.492 18134 576 1 2 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.190 -0.230 18134 577 1 2 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.490 -0.190 18134 578 1 2 . 1 1 72 72 ILE H H 72 7.180 7.180 7.367 -0.187 18134 579 1 2 . 1 1 73 73 GLY N N 73 108.400 108.400 107.024 1.376 18134 580 1 2 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.780 1.370 18134 581 1 2 . 1 1 73 73 GLY H H 73 7.650 7.650 7.275 0.375 18134 582 1 2 . 1 1 74 74 ILE N N 74 123.110 123.110 124.902 -1.792 18134 583 1 2 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.374 0.756 18134 584 1 2 . 1 1 74 74 ILE CA C 74 61.230 61.230 61.941 -0.711 18134 585 1 2 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.318 -1.878 18134 586 1 2 . 1 1 74 74 ILE H H 74 7.860 7.860 7.492 0.368 18134 587 1 2 . 1 1 75 75 SER HA H 75 3.820 3.820 4.601 -0.781 18134 588 1 2 . 1 1 75 75 SER CA C 75 59.540 59.540 57.394 2.146 18134 589 1 2 . 1 1 75 75 SER CB C 75 63.630 63.630 64.367 -0.737 18134 590 1 2 . 1 1 76 76 ASP N N 76 127.640 127.640 123.797 3.843 18134 591 1 2 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.829 -0.029 18134 592 1 2 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.994 0.306 18134 593 1 2 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.684 -0.644 18134 594 1 2 . 1 1 76 76 ASP H H 76 8.000 8.000 7.880 0.120 18134 595 1 2 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.264 -0.274 18134 596 1 2 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.317 0.263 18134 597 1 2 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.044 2.396 18134 598 1 2 . 1 1 78 78 GLN N N 78 120.390 120.390 115.592 4.798 18134 599 1 2 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.109 0.041 18134 600 1 2 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.333 0.847 18134 601 1 2 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.688 0.112 18134 602 1 2 . 1 1 78 78 GLN H H 78 8.200 8.200 8.821 -0.621 18134 603 1 2 . 1 1 79 79 HIS N N 79 123.160 123.160 115.974 7.186 18134 604 1 2 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.669 -0.269 18134 605 1 2 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.286 1.204 18134 606 1 2 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.363 0.817 18134 607 1 2 . 1 1 79 79 HIS H H 79 8.060 8.060 7.814 0.246 18134 608 1 2 . 1 1 80 80 ARG N N 80 118.250 118.250 120.569 -2.319 18134 609 1 2 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.179 -0.419 18134 610 1 2 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.549 2.291 18134 611 1 2 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.573 1.207 18134 612 1 2 . 1 1 80 80 ARG H H 80 8.060 8.060 8.169 -0.109 18134 613 1 2 . 1 1 81 81 ARG N N 81 118.850 118.850 119.295 -0.445 18134 614 1 2 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.145 -0.215 18134 615 1 2 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.743 1.527 18134 616 1 2 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.015 0.205 18134 617 1 2 . 1 1 81 81 ARG H H 81 7.700 7.700 8.174 -0.474 18134 618 1 2 . 1 1 82 82 LYS N N 82 121.700 121.700 119.903 1.797 18134 619 1 2 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.103 -0.053 18134 620 1 2 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.642 0.017 18134 621 1 2 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.015 1.095 18134 622 1 2 . 1 1 82 82 LYS H H 82 8.030 8.030 8.010 0.020 18134 623 1 2 . 1 1 83 83 LEU N N 83 122.310 122.310 120.034 2.276 18134 624 1 2 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.023 -0.213 18134 625 1 2 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.541 0.919 18134 626 1 2 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.006 0.644 18134 627 1 2 . 1 1 83 83 LEU H H 83 8.130 8.130 7.487 0.643 18134 628 1 2 . 1 1 84 84 LEU N N 84 119.760 119.760 119.073 0.687 18134 629 1 2 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.150 -0.180 18134 630 1 2 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.332 1.008 18134 631 1 2 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.461 0.580 18134 632 1 2 . 1 1 84 84 LEU H H 84 8.030 8.030 7.662 0.368 18134 633 1 2 . 1 1 85 85 GLN N N 85 119.520 119.520 119.941 -0.421 18134 634 1 2 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.123 -0.123 18134 635 1 2 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.809 0.191 18134 636 1 2 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.760 0.130 18134 637 1 2 . 1 1 85 85 GLN H H 85 8.340 8.340 8.123 0.217 18134 638 1 2 . 1 1 86 86 ALA N N 86 124.280 124.280 120.292 3.988 18134 639 1 2 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.330 -0.040 18134 640 1 2 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.152 1.048 18134 641 1 2 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.836 0.514 18134 642 1 2 . 1 1 86 86 ALA H H 86 8.320 8.320 8.175 0.145 18134 643 1 2 . 1 1 87 87 ALA N N 87 124.840 124.840 121.175 3.665 18134 644 1 2 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.113 -0.063 18134 645 1 2 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.428 0.892 18134 646 1 2 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.676 -0.526 18134 647 1 2 . 1 1 87 87 ALA H H 87 8.770 8.770 7.583 1.187 18134 648 1 2 . 1 1 88 88 ARG N N 88 118.020 118.020 116.915 1.105 18134 649 1 2 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.136 0.104 18134 650 1 2 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.191 -0.101 18134 651 1 2 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.552 -0.112 18134 652 1 2 . 1 1 88 88 ARG H H 88 8.010 8.010 8.027 -0.017 18134 653 1 2 . 1 1 89 89 SER N N 89 115.060 115.060 112.987 2.073 18134 654 1 2 . 1 1 89 89 SER HA H 89 4.530 4.530 4.352 0.178 18134 655 1 2 . 1 1 89 89 SER CA C 89 58.630 58.630 59.409 -0.779 18134 656 1 2 . 1 1 89 89 SER CB C 89 64.370 64.370 63.382 0.989 18134 657 1 2 . 1 1 89 89 SER H H 89 7.620 7.620 7.760 -0.140 18134 658 1 2 . 1 1 90 90 LEU N N 90 126.540 126.540 123.854 2.686 18134 659 1 2 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.408 0.002 18134 660 1 2 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.992 0.478 18134 661 1 2 . 1 1 90 90 LEU CB C 90 41.440 41.440 42.033 -0.593 18134 662 1 2 . 1 1 90 90 LEU H H 90 7.350 7.350 7.261 0.089 18134 663 1 2 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.504 -0.114 18134 664 1 2 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.583 0.697 18134 665 1 2 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.365 0.145 18134 666 1 2 . 1 1 92 92 LYS N N 92 122.480 122.480 114.688 7.792 18134 667 1 2 . 1 1 92 92 LYS HA H 92 4.320 4.320 3.939 0.381 18134 668 1 2 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.765 -0.485 18134 669 1 2 . 1 1 92 92 LYS CB C 92 33.350 33.350 30.834 2.516 18134 670 1 2 . 1 1 92 92 LYS H H 92 8.330 8.330 8.621 -0.291 18134 671 1 2 . 1 1 93 93 VAL N N 93 122.310 122.310 117.842 4.468 18134 672 1 2 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.230 -0.160 18134 673 1 2 . 1 1 93 93 VAL CA C 93 63.130 63.130 60.547 2.583 18134 674 1 2 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.474 -1.244 18134 675 1 2 . 1 1 93 93 VAL H H 93 8.060 8.060 7.630 0.430 18134 676 1 2 . 1 1 94 94 LYS N N 94 127.330 127.330 130.717 -3.387 18134 677 1 2 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.447 -0.157 18134 678 1 2 . 1 1 94 94 LYS CA C 94 56.530 56.530 55.638 0.892 18134 679 1 2 . 1 1 94 94 LYS CB C 94 33.470 33.470 30.734 2.736 18134 680 1 2 . 1 1 94 94 LYS H H 94 8.340 8.340 8.615 -0.275 18134 681 1 2 . 1 1 95 95 ALA N N 95 127.620 127.620 124.970 2.650 18134 682 1 2 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.476 -0.206 18134 683 1 2 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.733 1.247 18134 684 1 2 . 1 1 95 95 ALA CB C 95 19.350 19.350 20.071 -0.721 18134 685 1 2 . 1 1 95 95 ALA H H 95 8.290 8.290 7.596 0.694 18134 686 1 2 . 1 1 96 96 LEU N N 96 123.670 123.670 119.949 3.721 18134 687 1 2 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.532 -0.232 18134 688 1 2 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.734 1.796 18134 689 1 2 . 1 1 96 96 LEU CB C 96 42.650 42.650 43.233 -0.583 18134 690 1 2 . 1 1 96 96 LEU H H 96 8.240 8.240 8.302 -0.062 18134 691 1 2 . 1 1 97 97 GLY N N 97 111.540 111.540 106.636 4.904 18134 692 1 2 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.536 1.244 18134 693 1 2 . 1 1 97 97 GLY H H 97 8.400 8.400 7.997 0.403 18134 694 1 2 . 1 1 98 98 TYR N N 98 122.570 122.570 119.749 2.821 18134 695 1 2 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.772 -0.182 18134 696 1 2 . 1 1 98 98 TYR CA C 98 58.340 58.340 56.992 1.349 18134 697 1 2 . 1 1 98 98 TYR CB C 98 39.150 39.150 40.182 -1.032 18134 698 1 2 . 1 1 98 98 TYR H H 98 8.060 8.060 8.087 -0.027 18134 699 1 2 . 1 1 99 99 ASP N N 99 124.880 124.880 125.735 -0.855 18134 700 1 2 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.815 -0.255 18134 701 1 2 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.010 1.390 18134 702 1 2 . 1 1 99 99 ASP CB C 99 41.650 41.650 40.546 1.104 18134 703 1 2 . 1 1 99 99 ASP H H 99 8.350 8.350 8.750 -0.400 18134 704 1 2 . 1 1 100 100 GLY N N 100 110.340 110.340 108.981 1.359 18134 705 1 2 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.694 0.916 18134 706 1 2 . 1 1 100 100 GLY H H 100 7.540 7.540 8.070 -0.530 18134 707 1 3 . 1 1 22 22 ILE HA H 22 4.510 4.510 3.943 0.567 18134 708 1 3 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.525 1.875 18134 709 1 3 . 1 1 22 22 ILE CB C 22 39.150 39.150 36.487 2.663 18134 710 1 3 . 1 1 23 23 SER N N 23 120.770 120.770 118.588 2.182 18134 711 1 3 . 1 1 23 23 SER HA H 23 4.170 4.170 4.489 -0.319 18134 712 1 3 . 1 1 23 23 SER H H 23 8.370 8.370 8.119 0.251 18134 713 1 3 . 1 1 26 26 ARG N N 26 123.960 123.960 120.452 3.508 18134 714 1 3 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.436 -0.016 18134 715 1 3 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.459 -0.059 18134 716 1 3 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.961 -0.741 18134 717 1 3 . 1 1 26 26 ARG H H 26 8.160 8.160 8.918 -0.758 18134 718 1 3 . 1 1 27 27 THR N N 27 117.400 117.400 113.259 4.141 18134 719 1 3 . 1 1 27 27 THR HA H 27 4.240 4.240 4.736 -0.496 18134 720 1 3 . 1 1 27 27 THR CA C 27 61.710 61.710 61.325 0.385 18134 721 1 3 . 1 1 27 27 THR CB C 27 70.280 70.280 71.770 -1.490 18134 722 1 3 . 1 1 27 27 THR H H 27 8.150 8.150 7.818 0.332 18134 723 1 3 . 1 1 28 28 LEU N N 28 125.240 125.240 120.943 4.297 18134 724 1 3 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.629 -0.329 18134 725 1 3 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.434 0.366 18134 726 1 3 . 1 1 28 28 LEU CB C 28 42.650 42.650 43.042 -0.392 18134 727 1 3 . 1 1 28 28 LEU H H 28 8.230 8.230 8.336 -0.106 18134 728 1 3 . 1 1 29 29 GLU N N 29 123.420 123.420 119.786 3.634 18134 729 1 3 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.444 -0.144 18134 730 1 3 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.402 0.728 18134 731 1 3 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.666 -0.326 18134 732 1 3 . 1 1 29 29 GLU H H 29 8.360 8.360 8.203 0.157 18134 733 1 3 . 1 1 30 30 GLN N N 30 122.830 122.830 120.009 2.821 18134 734 1 3 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.660 -0.120 18134 735 1 3 . 1 1 30 30 GLN CA C 30 55.920 55.920 55.109 0.810 18134 736 1 3 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.963 1.337 18134 737 1 3 . 1 1 30 30 GLN H H 30 8.090 8.090 7.980 0.110 18134 738 1 3 . 1 1 31 31 SER N N 31 120.590 120.590 119.585 1.005 18134 739 1 3 . 1 1 31 31 SER HA H 31 4.700 4.700 4.649 0.051 18134 740 1 3 . 1 1 31 31 SER CA C 31 57.610 57.610 56.247 1.363 18134 741 1 3 . 1 1 31 31 SER CB C 31 65.900 65.900 65.076 0.824 18134 742 1 3 . 1 1 31 31 SER H H 31 8.760 8.760 8.585 0.175 18134 743 1 3 . 1 1 32 32 VAL N N 32 124.160 124.160 122.486 1.674 18134 744 1 3 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.013 -0.243 18134 745 1 3 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.433 0.197 18134 746 1 3 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.860 0.409 18134 747 1 3 . 1 1 32 32 VAL H H 32 9.030 9.030 8.896 0.134 18134 748 1 3 . 1 1 33 33 GLY N N 33 110.070 110.070 107.128 2.942 18134 749 1 3 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.886 0.314 18134 750 1 3 . 1 1 33 33 GLY H H 33 9.020 9.020 8.124 0.896 18134 751 1 3 . 1 1 34 34 GLU N N 34 124.850 124.850 123.190 1.660 18134 752 1 3 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.090 -0.010 18134 753 1 3 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.636 0.784 18134 754 1 3 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.648 1.692 18134 755 1 3 . 1 1 34 34 GLU H H 34 7.960 7.960 8.338 -0.378 18134 756 1 3 . 1 1 35 35 TRP N N 35 125.670 125.670 121.097 4.573 18134 757 1 3 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.303 -0.063 18134 758 1 3 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.427 1.283 18134 759 1 3 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.205 -0.925 18134 760 1 3 . 1 1 35 35 TRP H H 35 8.580 8.580 8.277 0.303 18134 761 1 3 . 1 1 36 36 LEU N N 36 121.440 121.440 117.436 4.004 18134 762 1 3 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.402 -0.052 18134 763 1 3 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.706 -0.337 18134 764 1 3 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.293 0.627 18134 765 1 3 . 1 1 36 36 LEU H H 36 9.130 9.130 8.291 0.839 18134 766 1 3 . 1 1 37 37 GLU N N 37 122.290 122.290 119.652 2.638 18134 767 1 3 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.997 0.013 18134 768 1 3 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.242 -0.182 18134 769 1 3 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.375 -0.315 18134 770 1 3 . 1 1 37 37 GLU H H 37 8.250 8.250 8.470 -0.220 18134 771 1 3 . 1 1 38 38 SER N N 38 118.850 118.850 112.902 5.948 18134 772 1 3 . 1 1 38 38 SER HA H 38 4.280 4.280 4.295 -0.015 18134 773 1 3 . 1 1 38 38 SER CA C 38 61.820 61.820 60.626 1.194 18134 774 1 3 . 1 1 38 38 SER CB C 38 63.650 63.650 63.522 0.128 18134 775 1 3 . 1 1 38 38 SER H H 38 7.850 7.850 7.794 0.056 18134 776 1 3 . 1 1 39 39 ILE N N 39 115.190 115.190 111.874 3.316 18134 777 1 3 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.448 0.062 18134 778 1 3 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.875 0.115 18134 779 1 3 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.201 -0.541 18134 780 1 3 . 1 1 39 39 ILE H H 39 6.940 6.940 7.151 -0.211 18134 781 1 3 . 1 1 40 40 GLY N N 40 112.250 112.250 108.659 3.591 18134 782 1 3 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.532 1.648 18134 783 1 3 . 1 1 40 40 GLY H H 40 7.630 7.630 8.109 -0.479 18134 784 1 3 . 1 1 41 41 LEU N N 41 121.470 121.470 119.862 1.608 18134 785 1 3 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.503 0.267 18134 786 1 3 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.392 0.237 18134 787 1 3 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.580 0.550 18134 788 1 3 . 1 1 41 41 LEU H H 41 7.810 7.810 8.299 -0.489 18134 789 1 3 . 1 1 42 42 GLN N N 42 122.310 122.310 120.023 2.287 18134 790 1 3 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.845 0.045 18134 791 1 3 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.534 -0.124 18134 792 1 3 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.279 -0.719 18134 793 1 3 . 1 1 42 42 GLN H H 42 9.070 9.070 7.916 1.154 18134 794 1 3 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.027 0.213 18134 795 1 3 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.440 -0.440 18134 796 1 3 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.843 -0.523 18134 797 1 3 . 1 1 44 44 TYR N N 44 121.180 121.180 119.545 1.635 18134 798 1 3 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.535 0.255 18134 799 1 3 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.439 2.141 18134 800 1 3 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.224 0.076 18134 801 1 3 . 1 1 44 44 TYR H H 44 7.640 7.640 8.029 -0.389 18134 802 1 3 . 1 1 45 45 GLU N N 45 124.810 124.810 121.255 3.555 18134 803 1 3 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.877 -0.267 18134 804 1 3 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.878 1.712 18134 805 1 3 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.264 0.826 18134 806 1 3 . 1 1 45 45 GLU H H 45 7.850 7.850 7.693 0.157 18134 807 1 3 . 1 1 46 46 SER N N 46 114.660 114.660 114.631 0.029 18134 808 1 3 . 1 1 46 46 SER HA H 46 4.000 4.000 4.182 -0.182 18134 809 1 3 . 1 1 46 46 SER CA C 46 62.920 62.920 61.743 1.177 18134 810 1 3 . 1 1 46 46 SER H H 46 8.790 8.790 8.382 0.408 18134 811 1 3 . 1 1 47 47 LYS N N 47 122.810 122.810 120.441 2.369 18134 812 1 3 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.149 -0.029 18134 813 1 3 . 1 1 47 47 LYS CA C 47 59.560 59.560 59.255 0.305 18134 814 1 3 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.384 0.566 18134 815 1 3 . 1 1 47 47 LYS H H 47 7.810 7.810 7.677 0.133 18134 816 1 3 . 1 1 48 48 LEU N N 48 121.420 121.420 118.886 2.534 18134 817 1 3 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.304 -0.094 18134 818 1 3 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.661 2.759 18134 819 1 3 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.759 -1.409 18134 820 1 3 . 1 1 48 48 LEU H H 48 8.010 8.010 7.429 0.581 18134 821 1 3 . 1 1 49 49 LEU N N 49 121.260 121.260 120.853 0.407 18134 822 1 3 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.416 -0.526 18134 823 1 3 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.538 1.522 18134 824 1 3 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.531 -0.611 18134 825 1 3 . 1 1 49 49 LEU H H 49 8.520 8.520 7.663 0.857 18134 826 1 3 . 1 1 50 50 LEU N N 50 121.260 121.260 120.345 0.915 18134 827 1 3 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.151 0.069 18134 828 1 3 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.958 0.052 18134 829 1 3 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.049 0.111 18134 830 1 3 . 1 1 50 50 LEU H H 50 8.530 8.530 8.526 0.004 18134 831 1 3 . 1 1 51 51 ASN N N 51 116.660 116.660 116.261 0.399 18134 832 1 3 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.831 0.009 18134 833 1 3 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.243 0.867 18134 834 1 3 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.814 2.146 18134 835 1 3 . 1 1 51 51 ASN H H 51 7.280 7.280 7.657 -0.377 18134 836 1 3 . 1 1 52 52 GLY N N 52 107.530 107.530 106.952 0.578 18134 837 1 3 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.396 -0.266 18134 838 1 3 . 1 1 52 52 GLY H H 52 7.720 7.720 7.755 -0.035 18134 839 1 3 . 1 1 53 53 PHE N N 53 123.430 123.430 118.474 4.956 18134 840 1 3 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.879 -0.079 18134 841 1 3 . 1 1 53 53 PHE CA C 53 56.650 56.650 55.976 0.674 18134 842 1 3 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.006 -1.906 18134 843 1 3 . 1 1 53 53 PHE H H 53 8.210 8.210 7.612 0.599 18134 844 1 3 . 1 1 54 54 ASP N N 54 117.170 117.170 120.157 -2.987 18134 845 1 3 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.512 0.058 18134 846 1 3 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.653 -1.663 18134 847 1 3 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.781 1.019 18134 848 1 3 . 1 1 54 54 ASP H H 54 7.720 7.720 8.307 -0.587 18134 849 1 3 . 1 1 55 55 ASP N N 55 121.390 121.390 120.629 0.761 18134 850 1 3 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.558 0.102 18134 851 1 3 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.130 -0.860 18134 852 1 3 . 1 1 55 55 ASP H H 55 7.830 7.830 8.081 -0.251 18134 853 1 3 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.765 -0.355 18134 854 1 3 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.354 1.706 18134 855 1 3 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.500 0.281 18134 856 1 3 . 1 1 56 56 VAL H H 56 8.800 8.800 8.425 0.375 18134 857 1 3 . 1 1 57 57 HIS N N 57 121.390 121.390 115.648 5.742 18134 858 1 3 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.586 -0.386 18134 859 1 3 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.104 0.026 18134 860 1 3 . 1 1 57 57 HIS H H 57 8.390 8.390 8.180 0.210 18134 861 1 3 . 1 1 58 58 PHE N N 58 121.980 121.980 117.755 4.225 18134 862 1 3 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.705 -0.345 18134 863 1 3 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.624 2.526 18134 864 1 3 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.176 -1.306 18134 865 1 3 . 1 1 58 58 PHE H H 58 7.930 7.930 7.709 0.221 18134 866 1 3 . 1 1 59 59 LEU N N 59 121.800 121.800 120.052 1.748 18134 867 1 3 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.074 -0.034 18134 868 1 3 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.633 0.097 18134 869 1 3 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.184 0.736 18134 870 1 3 . 1 1 59 59 LEU H H 59 7.730 7.730 7.501 0.229 18134 871 1 3 . 1 1 60 60 GLY N N 60 106.180 106.180 101.466 4.714 18134 872 1 3 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.831 1.269 18134 873 1 3 . 1 1 60 60 GLY H H 60 7.800 7.800 8.216 -0.416 18134 874 1 3 . 1 1 61 61 SER N N 61 116.150 116.150 115.351 0.799 18134 875 1 3 . 1 1 61 61 SER HA H 61 4.770 4.770 4.286 0.484 18134 876 1 3 . 1 1 61 61 SER CA C 61 59.370 59.370 58.977 0.393 18134 877 1 3 . 1 1 61 61 SER CB C 61 64.450 64.450 63.476 0.974 18134 878 1 3 . 1 1 61 61 SER H H 61 7.610 7.610 7.620 -0.010 18134 879 1 3 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.422 0.248 18134 880 1 3 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.239 -0.369 18134 881 1 3 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.700 -0.550 18134 882 1 3 . 1 1 63 63 VAL N N 63 120.030 120.030 121.053 -1.023 18134 883 1 3 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.762 0.328 18134 884 1 3 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.286 -1.606 18134 885 1 3 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.196 0.674 18134 886 1 3 . 1 1 63 63 VAL H H 63 7.770 7.770 8.465 -0.695 18134 887 1 3 . 1 1 64 64 MET N N 64 125.400 125.400 115.242 10.158 18134 888 1 3 . 1 1 64 64 MET HA H 64 4.460 4.460 4.138 0.322 18134 889 1 3 . 1 1 64 64 MET CA C 64 55.610 55.610 56.102 -0.492 18134 890 1 3 . 1 1 64 64 MET CB C 64 34.400 34.400 30.124 4.276 18134 891 1 3 . 1 1 64 64 MET H H 64 7.900 7.900 8.157 -0.257 18134 892 1 3 . 1 1 65 65 GLU N N 65 124.210 124.210 118.869 5.341 18134 893 1 3 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.423 0.257 18134 894 1 3 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.416 -0.696 18134 895 1 3 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.698 1.302 18134 896 1 3 . 1 1 65 65 GLU H H 65 8.810 8.810 7.797 1.013 18134 897 1 3 . 1 1 66 66 GLU N N 66 125.500 125.500 120.094 5.406 18134 898 1 3 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.913 -0.253 18134 899 1 3 . 1 1 66 66 GLU CA C 66 61.620 61.620 61.101 0.519 18134 900 1 3 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.582 -0.332 18134 901 1 3 . 1 1 66 66 GLU H H 66 9.290 9.290 8.852 0.438 18134 902 1 3 . 1 1 67 67 GLN N N 67 119.780 119.780 117.601 2.179 18134 903 1 3 . 1 1 67 67 GLN HA H 67 3.740 3.740 3.967 -0.227 18134 904 1 3 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.846 -0.785 18134 905 1 3 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.782 1.298 18134 906 1 3 . 1 1 67 67 GLN H H 67 9.090 9.090 8.680 0.410 18134 907 1 3 . 1 1 68 68 ASP N N 68 119.450 119.450 119.448 0.002 18134 908 1 3 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.433 0.027 18134 909 1 3 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.204 0.596 18134 910 1 3 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.263 1.127 18134 911 1 3 . 1 1 68 68 ASP H H 68 7.400 7.400 8.306 -0.906 18134 912 1 3 . 1 1 69 69 LEU N N 69 116.950 116.950 118.627 -1.677 18134 913 1 3 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.990 0.150 18134 914 1 3 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.738 -0.208 18134 915 1 3 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.519 0.041 18134 916 1 3 . 1 1 69 69 LEU H H 69 7.180 7.180 7.701 -0.521 18134 917 1 3 . 1 1 70 70 ARG N N 70 123.140 123.140 119.555 3.585 18134 918 1 3 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.067 -0.147 18134 919 1 3 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.842 0.938 18134 920 1 3 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.207 0.013 18134 921 1 3 . 1 1 70 70 ARG H H 70 7.990 7.990 7.824 0.166 18134 922 1 3 . 1 1 71 71 ASP N N 71 121.960 121.960 118.625 3.335 18134 923 1 3 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.452 -0.002 18134 924 1 3 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.849 0.511 18134 925 1 3 . 1 1 71 71 ASP CB C 71 40.550 40.550 41.313 -0.763 18134 926 1 3 . 1 1 71 71 ASP H H 71 8.460 8.460 8.306 0.154 18134 927 1 3 . 1 1 72 72 ILE N N 72 112.900 112.900 111.516 1.384 18134 928 1 3 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.196 0.294 18134 929 1 3 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.523 -0.563 18134 930 1 3 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.548 -0.248 18134 931 1 3 . 1 1 72 72 ILE H H 72 7.180 7.180 7.465 -0.285 18134 932 1 3 . 1 1 73 73 GLY N N 73 108.400 108.400 106.830 1.570 18134 933 1 3 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.799 1.351 18134 934 1 3 . 1 1 73 73 GLY H H 73 7.650 7.650 7.273 0.377 18134 935 1 3 . 1 1 74 74 ILE N N 74 123.110 123.110 124.567 -1.457 18134 936 1 3 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.320 0.810 18134 937 1 3 . 1 1 74 74 ILE CA C 74 61.230 61.230 61.940 -0.710 18134 938 1 3 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.223 -1.783 18134 939 1 3 . 1 1 74 74 ILE H H 74 7.860 7.860 7.560 0.300 18134 940 1 3 . 1 1 75 75 SER HA H 75 3.820 3.820 4.572 -0.752 18134 941 1 3 . 1 1 75 75 SER CA C 75 59.540 59.540 57.502 2.038 18134 942 1 3 . 1 1 75 75 SER CB C 75 63.630 63.630 64.121 -0.491 18134 943 1 3 . 1 1 76 76 ASP N N 76 127.640 127.640 124.307 3.333 18134 944 1 3 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.893 -0.093 18134 945 1 3 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.841 0.459 18134 946 1 3 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.564 -0.524 18134 947 1 3 . 1 1 76 76 ASP H H 76 8.000 8.000 7.965 0.035 18134 948 1 3 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.293 -0.303 18134 949 1 3 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.321 0.259 18134 950 1 3 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.135 2.305 18134 951 1 3 . 1 1 78 78 GLN N N 78 120.390 120.390 115.772 4.618 18134 952 1 3 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.124 0.026 18134 953 1 3 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.073 1.107 18134 954 1 3 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.263 -0.463 18134 955 1 3 . 1 1 78 78 GLN H H 78 8.200 8.200 8.791 -0.591 18134 956 1 3 . 1 1 79 79 HIS N N 79 123.160 123.160 114.955 8.205 18134 957 1 3 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.659 -0.259 18134 958 1 3 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.302 1.188 18134 959 1 3 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.429 0.751 18134 960 1 3 . 1 1 79 79 HIS H H 79 8.060 8.060 7.879 0.181 18134 961 1 3 . 1 1 80 80 ARG N N 80 118.250 118.250 120.643 -2.393 18134 962 1 3 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.190 -0.430 18134 963 1 3 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.544 2.296 18134 964 1 3 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.582 1.198 18134 965 1 3 . 1 1 80 80 ARG H H 80 8.060 8.060 8.129 -0.068 18134 966 1 3 . 1 1 81 81 ARG N N 81 118.850 118.850 119.175 -0.325 18134 967 1 3 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.152 -0.222 18134 968 1 3 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.598 1.672 18134 969 1 3 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.987 0.233 18134 970 1 3 . 1 1 81 81 ARG H H 81 7.700 7.700 8.140 -0.440 18134 971 1 3 . 1 1 82 82 LYS N N 82 121.700 121.700 119.838 1.862 18134 972 1 3 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.124 -0.074 18134 973 1 3 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.521 0.139 18134 974 1 3 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.160 0.950 18134 975 1 3 . 1 1 82 82 LYS H H 82 8.030 8.030 7.987 0.043 18134 976 1 3 . 1 1 83 83 LEU N N 83 122.310 122.310 120.258 2.052 18134 977 1 3 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.062 -0.252 18134 978 1 3 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.366 1.094 18134 979 1 3 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.306 1.344 18134 980 1 3 . 1 1 83 83 LEU H H 83 8.130 8.130 7.516 0.614 18134 981 1 3 . 1 1 84 84 LEU N N 84 119.760 119.760 118.686 1.074 18134 982 1 3 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.177 -0.207 18134 983 1 3 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.007 1.333 18134 984 1 3 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.566 0.473 18134 985 1 3 . 1 1 84 84 LEU H H 84 8.030 8.030 7.755 0.275 18134 986 1 3 . 1 1 85 85 GLN N N 85 119.520 119.520 119.994 -0.474 18134 987 1 3 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.145 -0.145 18134 988 1 3 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.075 -0.075 18134 989 1 3 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.734 0.156 18134 990 1 3 . 1 1 85 85 GLN H H 85 8.340 8.340 7.763 0.577 18134 991 1 3 . 1 1 86 86 ALA N N 86 124.280 124.280 120.618 3.662 18134 992 1 3 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.402 -0.112 18134 993 1 3 . 1 1 86 86 ALA CA C 86 55.200 55.200 53.946 1.254 18134 994 1 3 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.675 0.675 18134 995 1 3 . 1 1 86 86 ALA H H 86 8.320 8.320 8.014 0.306 18134 996 1 3 . 1 1 87 87 ALA N N 87 124.840 124.840 121.072 3.768 18134 997 1 3 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.155 -0.105 18134 998 1 3 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.958 1.362 18134 999 1 3 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.250 -1.100 18134 1000 1 3 . 1 1 87 87 ALA H H 87 8.770 8.770 7.609 1.161 18134 1001 1 3 . 1 1 88 88 ARG N N 88 118.020 118.020 117.440 0.580 18134 1002 1 3 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.155 0.085 18134 1003 1 3 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.117 -0.027 18134 1004 1 3 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.204 0.236 18134 1005 1 3 . 1 1 88 88 ARG H H 88 8.010 8.010 7.739 0.271 18134 1006 1 3 . 1 1 89 89 SER N N 89 115.060 115.060 112.886 2.174 18134 1007 1 3 . 1 1 89 89 SER HA H 89 4.530 4.530 4.311 0.219 18134 1008 1 3 . 1 1 89 89 SER CA C 89 58.630 58.630 59.077 -0.447 18134 1009 1 3 . 1 1 89 89 SER CB C 89 64.370 64.370 63.403 0.967 18134 1010 1 3 . 1 1 89 89 SER H H 89 7.620 7.620 7.726 -0.106 18134 1011 1 3 . 1 1 90 90 LEU N N 90 126.540 126.540 123.809 2.731 18134 1012 1 3 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.387 0.023 18134 1013 1 3 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.731 0.739 18134 1014 1 3 . 1 1 90 90 LEU CB C 90 41.440 41.440 42.028 -0.588 18134 1015 1 3 . 1 1 90 90 LEU H H 90 7.350 7.350 7.124 0.226 18134 1016 1 3 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.518 -0.128 18134 1017 1 3 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.127 1.153 18134 1018 1 3 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.079 0.431 18134 1019 1 3 . 1 1 92 92 LYS N N 92 122.480 122.480 122.355 0.125 18134 1020 1 3 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.215 0.105 18134 1021 1 3 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.139 1.141 18134 1022 1 3 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.319 1.031 18134 1023 1 3 . 1 1 92 92 LYS H H 92 8.330 8.330 8.362 -0.032 18134 1024 1 3 . 1 1 93 93 VAL N N 93 122.310 122.310 122.221 0.089 18134 1025 1 3 . 1 1 93 93 VAL HA H 93 4.070 4.070 3.946 0.124 18134 1026 1 3 . 1 1 93 93 VAL CA C 93 63.130 63.130 63.370 -0.240 18134 1027 1 3 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.541 0.689 18134 1028 1 3 . 1 1 93 93 VAL H H 93 8.060 8.060 8.495 -0.435 18134 1029 1 3 . 1 1 94 94 LYS N N 94 127.330 127.330 126.904 0.426 18134 1030 1 3 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.473 -0.183 18134 1031 1 3 . 1 1 94 94 LYS CA C 94 56.530 56.530 55.612 0.918 18134 1032 1 3 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.844 1.626 18134 1033 1 3 . 1 1 94 94 LYS H H 94 8.340 8.340 8.484 -0.144 18134 1034 1 3 . 1 1 95 95 ALA N N 95 127.620 127.620 123.023 4.597 18134 1035 1 3 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.553 -0.283 18134 1036 1 3 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.123 0.857 18134 1037 1 3 . 1 1 95 95 ALA CB C 95 19.350 19.350 18.130 1.220 18134 1038 1 3 . 1 1 95 95 ALA H H 95 8.290 8.290 8.285 0.005 18134 1039 1 3 . 1 1 96 96 LEU N N 96 123.670 123.670 120.100 3.570 18134 1040 1 3 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.455 -0.155 18134 1041 1 3 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.703 1.827 18134 1042 1 3 . 1 1 96 96 LEU CB C 96 42.650 42.650 43.714 -1.064 18134 1043 1 3 . 1 1 96 96 LEU H H 96 8.240 8.240 7.638 0.602 18134 1044 1 3 . 1 1 97 97 GLY N N 97 111.540 111.540 113.712 -2.172 18134 1045 1 3 . 1 1 97 97 GLY CA C 97 45.780 45.780 46.000 -0.220 18134 1046 1 3 . 1 1 97 97 GLY H H 97 8.400 8.400 8.765 -0.365 18134 1047 1 3 . 1 1 98 98 TYR N N 98 122.570 122.570 120.952 1.618 18134 1048 1 3 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.748 -0.158 18134 1049 1 3 . 1 1 98 98 TYR CA C 98 58.340 58.340 58.570 -0.230 18134 1050 1 3 . 1 1 98 98 TYR CB C 98 39.150 39.150 40.475 -1.325 18134 1051 1 3 . 1 1 98 98 TYR H H 98 8.060 8.060 8.520 -0.460 18134 1052 1 3 . 1 1 99 99 ASP N N 99 124.880 124.880 117.643 7.237 18134 1053 1 3 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.762 -0.202 18134 1054 1 3 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.342 1.058 18134 1055 1 3 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.943 -1.293 18134 1056 1 3 . 1 1 99 99 ASP H H 99 8.350 8.350 8.260 0.090 18134 1057 1 3 . 1 1 100 100 GLY N N 100 110.340 110.340 110.515 -0.175 18134 1058 1 3 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.435 0.175 18134 1059 1 3 . 1 1 100 100 GLY H H 100 7.540 7.540 8.293 -0.753 18134 1060 1 4 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.894 -0.384 18134 1061 1 4 . 1 1 22 22 ILE CA C 22 63.400 63.400 60.658 2.742 18134 1062 1 4 . 1 1 22 22 ILE CB C 22 39.150 39.150 40.626 -1.476 18134 1063 1 4 . 1 1 23 23 SER N N 23 120.770 120.770 118.177 2.593 18134 1064 1 4 . 1 1 23 23 SER HA H 23 4.170 4.170 5.402 -1.232 18134 1065 1 4 . 1 1 23 23 SER H H 23 8.370 8.370 9.319 -0.949 18134 1066 1 4 . 1 1 26 26 ARG N N 26 123.960 123.960 121.691 2.269 18134 1067 1 4 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.536 -0.116 18134 1068 1 4 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.431 -0.031 18134 1069 1 4 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.431 -0.211 18134 1070 1 4 . 1 1 26 26 ARG H H 26 8.160 8.160 8.359 -0.199 18134 1071 1 4 . 1 1 27 27 THR N N 27 117.400 117.400 112.705 4.695 18134 1072 1 4 . 1 1 27 27 THR HA H 27 4.240 4.240 4.396 -0.156 18134 1073 1 4 . 1 1 27 27 THR CA C 27 61.710 61.710 60.830 0.881 18134 1074 1 4 . 1 1 27 27 THR CB C 27 70.280 70.280 70.496 -0.216 18134 1075 1 4 . 1 1 27 27 THR H H 27 8.150 8.150 8.062 0.088 18134 1076 1 4 . 1 1 28 28 LEU N N 28 125.240 125.240 120.399 4.841 18134 1077 1 4 . 1 1 28 28 LEU HA H 28 4.300 4.300 3.910 0.390 18134 1078 1 4 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.426 0.374 18134 1079 1 4 . 1 1 28 28 LEU CB C 28 42.650 42.650 41.473 1.177 18134 1080 1 4 . 1 1 28 28 LEU H H 28 8.230 8.230 8.236 -0.006 18134 1081 1 4 . 1 1 29 29 GLU N N 29 123.420 123.420 118.638 4.782 18134 1082 1 4 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.068 0.232 18134 1083 1 4 . 1 1 29 29 GLU CA C 29 57.130 57.130 58.343 -1.213 18134 1084 1 4 . 1 1 29 29 GLU CB C 29 30.340 30.340 28.999 1.341 18134 1085 1 4 . 1 1 29 29 GLU H H 29 8.360 8.360 8.755 -0.395 18134 1086 1 4 . 1 1 30 30 GLN N N 30 122.830 122.830 117.952 4.878 18134 1087 1 4 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.553 -0.013 18134 1088 1 4 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.891 1.029 18134 1089 1 4 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.877 0.423 18134 1090 1 4 . 1 1 30 30 GLN H H 30 8.090 8.090 7.832 0.258 18134 1091 1 4 . 1 1 31 31 SER N N 31 120.590 120.590 115.277 5.313 18134 1092 1 4 . 1 1 31 31 SER HA H 31 4.700 4.700 4.764 -0.064 18134 1093 1 4 . 1 1 31 31 SER CA C 31 57.610 57.610 56.094 1.516 18134 1094 1 4 . 1 1 31 31 SER CB C 31 65.900 65.900 65.350 0.550 18134 1095 1 4 . 1 1 31 31 SER H H 31 8.760 8.760 8.320 0.440 18134 1096 1 4 . 1 1 32 32 VAL N N 32 124.160 124.160 122.246 1.914 18134 1097 1 4 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.067 -0.297 18134 1098 1 4 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.887 0.743 18134 1099 1 4 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.901 0.369 18134 1100 1 4 . 1 1 32 32 VAL H H 32 9.030 9.030 9.011 0.019 18134 1101 1 4 . 1 1 33 33 GLY N N 33 110.070 110.070 107.083 2.987 18134 1102 1 4 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.678 0.521 18134 1103 1 4 . 1 1 33 33 GLY H H 33 9.020 9.020 8.439 0.581 18134 1104 1 4 . 1 1 34 34 GLU N N 34 124.850 124.850 123.171 1.679 18134 1105 1 4 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.122 -0.042 18134 1106 1 4 . 1 1 34 34 GLU CA C 34 59.420 59.420 59.197 0.223 18134 1107 1 4 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.051 1.289 18134 1108 1 4 . 1 1 34 34 GLU H H 34 7.960 7.960 8.573 -0.613 18134 1109 1 4 . 1 1 35 35 TRP N N 35 125.670 125.670 121.599 4.071 18134 1110 1 4 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.259 -0.019 18134 1111 1 4 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.754 0.956 18134 1112 1 4 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.153 -0.873 18134 1113 1 4 . 1 1 35 35 TRP H H 35 8.580 8.580 8.286 0.294 18134 1114 1 4 . 1 1 36 36 LEU N N 36 121.440 121.440 117.407 4.033 18134 1115 1 4 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.399 -0.049 18134 1116 1 4 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.712 -0.342 18134 1117 1 4 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.304 0.616 18134 1118 1 4 . 1 1 36 36 LEU H H 36 9.130 9.130 8.390 0.740 18134 1119 1 4 . 1 1 37 37 GLU N N 37 122.290 122.290 119.770 2.520 18134 1120 1 4 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.017 -0.007 18134 1121 1 4 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.313 -0.253 18134 1122 1 4 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.249 -0.189 18134 1123 1 4 . 1 1 37 37 GLU H H 37 8.250 8.250 8.398 -0.148 18134 1124 1 4 . 1 1 38 38 SER N N 38 118.850 118.850 113.483 5.367 18134 1125 1 4 . 1 1 38 38 SER HA H 38 4.280 4.280 4.335 -0.055 18134 1126 1 4 . 1 1 38 38 SER CA C 38 61.820 61.820 61.202 0.618 18134 1127 1 4 . 1 1 38 38 SER CB C 38 63.650 63.650 63.521 0.129 18134 1128 1 4 . 1 1 38 38 SER H H 38 7.850 7.850 7.776 0.074 18134 1129 1 4 . 1 1 39 39 ILE N N 39 115.190 115.190 113.714 1.476 18134 1130 1 4 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.460 0.050 18134 1131 1 4 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.877 0.113 18134 1132 1 4 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.264 -0.604 18134 1133 1 4 . 1 1 39 39 ILE H H 39 6.940 6.940 7.235 -0.295 18134 1134 1 4 . 1 1 40 40 GLY N N 40 112.250 112.250 108.704 3.546 18134 1135 1 4 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.237 1.943 18134 1136 1 4 . 1 1 40 40 GLY H H 40 7.630 7.630 8.019 -0.389 18134 1137 1 4 . 1 1 41 41 LEU N N 41 121.470 121.470 120.023 1.447 18134 1138 1 4 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.498 0.272 18134 1139 1 4 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.919 -0.289 18134 1140 1 4 . 1 1 41 41 LEU CB C 41 43.130 43.130 41.355 1.775 18134 1141 1 4 . 1 1 41 41 LEU H H 41 7.810 7.810 8.334 -0.524 18134 1142 1 4 . 1 1 42 42 GLN N N 42 122.310 122.310 120.034 2.276 18134 1143 1 4 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.888 0.002 18134 1144 1 4 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.546 -0.136 18134 1145 1 4 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.369 -0.809 18134 1146 1 4 . 1 1 42 42 GLN H H 42 9.070 9.070 7.920 1.150 18134 1147 1 4 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.076 0.164 18134 1148 1 4 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.396 -0.396 18134 1149 1 4 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.619 -0.299 18134 1150 1 4 . 1 1 44 44 TYR N N 44 121.180 121.180 120.627 0.553 18134 1151 1 4 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.470 0.320 18134 1152 1 4 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.057 1.523 18134 1153 1 4 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.082 0.218 18134 1154 1 4 . 1 1 44 44 TYR H H 44 7.640 7.640 8.038 -0.398 18134 1155 1 4 . 1 1 45 45 GLU N N 45 124.810 124.810 120.754 4.056 18134 1156 1 4 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.880 -0.270 18134 1157 1 4 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.000 1.590 18134 1158 1 4 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.175 0.914 18134 1159 1 4 . 1 1 45 45 GLU H H 45 7.850 7.850 7.657 0.193 18134 1160 1 4 . 1 1 46 46 SER N N 46 114.660 114.660 115.016 -0.356 18134 1161 1 4 . 1 1 46 46 SER HA H 46 4.000 4.000 4.207 -0.207 18134 1162 1 4 . 1 1 46 46 SER CA C 46 62.920 62.920 61.843 1.077 18134 1163 1 4 . 1 1 46 46 SER H H 46 8.790 8.790 8.161 0.629 18134 1164 1 4 . 1 1 47 47 LYS N N 47 122.810 122.810 120.589 2.221 18134 1165 1 4 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.169 -0.049 18134 1166 1 4 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.381 1.179 18134 1167 1 4 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.373 0.577 18134 1168 1 4 . 1 1 47 47 LYS H H 47 7.810 7.810 7.753 0.057 18134 1169 1 4 . 1 1 48 48 LEU N N 48 121.420 121.420 119.014 2.406 18134 1170 1 4 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.276 -0.066 18134 1171 1 4 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.495 2.925 18134 1172 1 4 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.841 -1.491 18134 1173 1 4 . 1 1 48 48 LEU H H 48 8.010 8.010 7.393 0.617 18134 1174 1 4 . 1 1 49 49 LEU N N 49 121.260 121.260 121.015 0.245 18134 1175 1 4 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.387 -0.497 18134 1176 1 4 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.548 1.512 18134 1177 1 4 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.522 -0.602 18134 1178 1 4 . 1 1 49 49 LEU H H 49 8.520 8.520 7.699 0.821 18134 1179 1 4 . 1 1 50 50 LEU N N 50 121.260 121.260 120.553 0.707 18134 1180 1 4 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.069 0.151 18134 1181 1 4 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.333 -0.323 18134 1182 1 4 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.904 0.256 18134 1183 1 4 . 1 1 50 50 LEU H H 50 8.530 8.530 8.550 -0.020 18134 1184 1 4 . 1 1 51 51 ASN N N 51 116.660 116.660 115.684 0.976 18134 1185 1 4 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.802 0.038 18134 1186 1 4 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.197 0.913 18134 1187 1 4 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.936 2.024 18134 1188 1 4 . 1 1 51 51 ASN H H 51 7.280 7.280 7.702 -0.422 18134 1189 1 4 . 1 1 52 52 GLY N N 52 107.530 107.530 107.737 -0.207 18134 1190 1 4 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.346 -0.216 18134 1191 1 4 . 1 1 52 52 GLY H H 52 7.720 7.720 7.747 -0.027 18134 1192 1 4 . 1 1 53 53 PHE N N 53 123.430 123.430 118.631 4.799 18134 1193 1 4 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.698 0.102 18134 1194 1 4 . 1 1 53 53 PHE CA C 53 56.650 56.650 55.870 0.780 18134 1195 1 4 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.837 -1.737 18134 1196 1 4 . 1 1 53 53 PHE H H 53 8.210 8.210 7.561 0.649 18134 1197 1 4 . 1 1 54 54 ASP N N 54 117.170 117.170 118.964 -1.794 18134 1198 1 4 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.492 0.078 18134 1199 1 4 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.307 -1.317 18134 1200 1 4 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.722 1.078 18134 1201 1 4 . 1 1 54 54 ASP H H 54 7.720 7.720 8.271 -0.551 18134 1202 1 4 . 1 1 55 55 ASP N N 55 121.390 121.390 121.650 -0.260 18134 1203 1 4 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.297 0.363 18134 1204 1 4 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.474 -1.204 18134 1205 1 4 . 1 1 55 55 ASP H H 55 7.830 7.830 8.196 -0.366 18134 1206 1 4 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.806 -0.396 18134 1207 1 4 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.648 1.412 18134 1208 1 4 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.436 0.344 18134 1209 1 4 . 1 1 56 56 VAL H H 56 8.800 8.800 8.420 0.380 18134 1210 1 4 . 1 1 57 57 HIS N N 57 121.390 121.390 114.564 6.826 18134 1211 1 4 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.590 -0.390 18134 1212 1 4 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.627 0.503 18134 1213 1 4 . 1 1 57 57 HIS H H 57 8.390 8.390 7.816 0.574 18134 1214 1 4 . 1 1 58 58 PHE N N 58 121.980 121.980 118.609 3.371 18134 1215 1 4 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.794 -0.434 18134 1216 1 4 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.292 1.858 18134 1217 1 4 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.566 -1.696 18134 1218 1 4 . 1 1 58 58 PHE H H 58 7.930 7.930 7.418 0.512 18134 1219 1 4 . 1 1 59 59 LEU N N 59 121.800 121.800 120.077 1.723 18134 1220 1 4 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.114 -0.074 18134 1221 1 4 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.625 0.105 18134 1222 1 4 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.326 0.594 18134 1223 1 4 . 1 1 59 59 LEU H H 59 7.730 7.730 7.447 0.283 18134 1224 1 4 . 1 1 60 60 GLY N N 60 106.180 106.180 101.110 5.070 18134 1225 1 4 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.311 1.789 18134 1226 1 4 . 1 1 60 60 GLY H H 60 7.800 7.800 8.162 -0.362 18134 1227 1 4 . 1 1 61 61 SER N N 61 116.150 116.150 114.863 1.287 18134 1228 1 4 . 1 1 61 61 SER HA H 61 4.770 4.770 4.493 0.277 18134 1229 1 4 . 1 1 61 61 SER CA C 61 59.370 59.370 58.359 1.011 18134 1230 1 4 . 1 1 61 61 SER CB C 61 64.450 64.450 64.418 0.032 18134 1231 1 4 . 1 1 61 61 SER H H 61 7.610 7.610 8.130 -0.520 18134 1232 1 4 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.907 -0.237 18134 1233 1 4 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.802 -0.932 18134 1234 1 4 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.757 -0.607 18134 1235 1 4 . 1 1 63 63 VAL N N 63 120.030 120.030 121.402 -1.372 18134 1236 1 4 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.962 0.128 18134 1237 1 4 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.230 -1.550 18134 1238 1 4 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.854 0.016 18134 1239 1 4 . 1 1 63 63 VAL H H 63 7.770 7.770 8.678 -0.908 18134 1240 1 4 . 1 1 64 64 MET N N 64 125.400 125.400 115.711 9.689 18134 1241 1 4 . 1 1 64 64 MET HA H 64 4.460 4.460 4.128 0.332 18134 1242 1 4 . 1 1 64 64 MET CA C 64 55.610 55.610 56.200 -0.590 18134 1243 1 4 . 1 1 64 64 MET CB C 64 34.400 34.400 30.196 4.204 18134 1244 1 4 . 1 1 64 64 MET H H 64 7.900 7.900 8.068 -0.168 18134 1245 1 4 . 1 1 65 65 GLU N N 65 124.210 124.210 118.546 5.664 18134 1246 1 4 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.431 0.249 18134 1247 1 4 . 1 1 65 65 GLU CA C 65 54.720 54.720 56.354 -1.634 18134 1248 1 4 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.108 1.892 18134 1249 1 4 . 1 1 65 65 GLU H H 65 8.810 8.810 8.048 0.762 18134 1250 1 4 . 1 1 66 66 GLU N N 66 125.500 125.500 119.727 5.773 18134 1251 1 4 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.934 -0.274 18134 1252 1 4 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.950 1.671 18134 1253 1 4 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.361 -0.111 18134 1254 1 4 . 1 1 66 66 GLU H H 66 9.290 9.290 8.906 0.384 18134 1255 1 4 . 1 1 67 67 GLN N N 67 119.780 119.780 119.071 0.709 18134 1256 1 4 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.079 -0.339 18134 1257 1 4 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.722 -0.662 18134 1258 1 4 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.078 1.002 18134 1259 1 4 . 1 1 67 67 GLN H H 67 9.090 9.090 8.429 0.661 18134 1260 1 4 . 1 1 68 68 ASP N N 68 119.450 119.450 118.979 0.471 18134 1261 1 4 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.425 0.035 18134 1262 1 4 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.423 0.376 18134 1263 1 4 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.542 0.848 18134 1264 1 4 . 1 1 68 68 ASP H H 68 7.400 7.400 8.439 -1.039 18134 1265 1 4 . 1 1 69 69 LEU N N 69 116.950 116.950 118.178 -1.228 18134 1266 1 4 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.976 0.164 18134 1267 1 4 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.384 -0.854 18134 1268 1 4 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.793 -0.233 18134 1269 1 4 . 1 1 69 69 LEU H H 69 7.180 7.180 7.737 -0.557 18134 1270 1 4 . 1 1 70 70 ARG N N 70 123.140 123.140 119.162 3.978 18134 1271 1 4 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.044 -0.124 18134 1272 1 4 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.802 0.978 18134 1273 1 4 . 1 1 70 70 ARG CB C 70 30.220 30.220 29.940 0.280 18134 1274 1 4 . 1 1 70 70 ARG H H 70 7.990 7.990 7.344 0.646 18134 1275 1 4 . 1 1 71 71 ASP N N 71 121.960 121.960 118.598 3.362 18134 1276 1 4 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.443 0.007 18134 1277 1 4 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.684 0.675 18134 1278 1 4 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.854 -0.304 18134 1279 1 4 . 1 1 71 71 ASP H H 71 8.460 8.460 8.398 0.062 18134 1280 1 4 . 1 1 72 72 ILE N N 72 112.900 112.900 111.463 1.437 18134 1281 1 4 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.306 0.184 18134 1282 1 4 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.334 -0.374 18134 1283 1 4 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.598 -0.298 18134 1284 1 4 . 1 1 72 72 ILE H H 72 7.180 7.180 7.359 -0.179 18134 1285 1 4 . 1 1 73 73 GLY N N 73 108.400 108.400 106.887 1.513 18134 1286 1 4 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.812 1.338 18134 1287 1 4 . 1 1 73 73 GLY H H 73 7.650 7.650 7.389 0.261 18134 1288 1 4 . 1 1 74 74 ILE N N 74 123.110 123.110 124.484 -1.374 18134 1289 1 4 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.344 0.786 18134 1290 1 4 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.234 -1.004 18134 1291 1 4 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.810 -2.370 18134 1292 1 4 . 1 1 74 74 ILE H H 74 7.860 7.860 7.625 0.235 18134 1293 1 4 . 1 1 75 75 SER HA H 75 3.820 3.820 4.492 -0.672 18134 1294 1 4 . 1 1 75 75 SER CA C 75 59.540 59.540 57.457 2.083 18134 1295 1 4 . 1 1 75 75 SER CB C 75 63.630 63.630 64.494 -0.864 18134 1296 1 4 . 1 1 76 76 ASP N N 76 127.640 127.640 124.074 3.566 18134 1297 1 4 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.910 -0.110 18134 1298 1 4 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.291 0.009 18134 1299 1 4 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.247 -0.207 18134 1300 1 4 . 1 1 76 76 ASP H H 76 8.000 8.000 7.793 0.207 18134 1301 1 4 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.297 -0.307 18134 1302 1 4 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.582 -0.002 18134 1303 1 4 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.082 2.358 18134 1304 1 4 . 1 1 78 78 GLN N N 78 120.390 120.390 116.615 3.775 18134 1305 1 4 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.231 -0.081 18134 1306 1 4 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.972 1.208 18134 1307 1 4 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.948 -0.148 18134 1308 1 4 . 1 1 78 78 GLN H H 78 8.200 8.200 8.721 -0.521 18134 1309 1 4 . 1 1 79 79 HIS N N 79 123.160 123.160 115.733 7.427 18134 1310 1 4 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.617 -0.217 18134 1311 1 4 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.206 1.284 18134 1312 1 4 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.478 0.702 18134 1313 1 4 . 1 1 79 79 HIS H H 79 8.060 8.060 7.901 0.159 18134 1314 1 4 . 1 1 80 80 ARG N N 80 118.250 118.250 120.699 -2.449 18134 1315 1 4 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.222 -0.462 18134 1316 1 4 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.299 2.541 18134 1317 1 4 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.663 1.117 18134 1318 1 4 . 1 1 80 80 ARG H H 80 8.060 8.060 8.072 -0.012 18134 1319 1 4 . 1 1 81 81 ARG N N 81 118.850 118.850 119.733 -0.883 18134 1320 1 4 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.121 -0.191 18134 1321 1 4 . 1 1 81 81 ARG CA C 81 60.270 60.270 59.243 1.027 18134 1322 1 4 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.061 0.159 18134 1323 1 4 . 1 1 81 81 ARG H H 81 7.700 7.700 8.069 -0.369 18134 1324 1 4 . 1 1 82 82 LYS N N 82 121.700 121.700 119.493 2.207 18134 1325 1 4 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.094 -0.044 18134 1326 1 4 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.862 -0.202 18134 1327 1 4 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.096 1.014 18134 1328 1 4 . 1 1 82 82 LYS H H 82 8.030 8.030 8.158 -0.128 18134 1329 1 4 . 1 1 83 83 LEU N N 83 122.310 122.310 119.488 2.822 18134 1330 1 4 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.032 -0.222 18134 1331 1 4 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.427 1.033 18134 1332 1 4 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.077 0.573 18134 1333 1 4 . 1 1 83 83 LEU H H 83 8.130 8.130 7.503 0.627 18134 1334 1 4 . 1 1 84 84 LEU N N 84 119.760 119.760 117.876 1.884 18134 1335 1 4 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.282 -0.312 18134 1336 1 4 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.819 1.521 18134 1337 1 4 . 1 1 84 84 LEU CB C 84 42.040 42.040 42.048 -0.008 18134 1338 1 4 . 1 1 84 84 LEU H H 84 8.030 8.030 7.471 0.559 18134 1339 1 4 . 1 1 85 85 GLN N N 85 119.520 119.520 120.098 -0.578 18134 1340 1 4 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.154 -0.154 18134 1341 1 4 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.073 -0.073 18134 1342 1 4 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.130 -0.240 18134 1343 1 4 . 1 1 85 85 GLN H H 85 8.340 8.340 8.110 0.230 18134 1344 1 4 . 1 1 86 86 ALA N N 86 124.280 124.280 120.421 3.859 18134 1345 1 4 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.419 -0.129 18134 1346 1 4 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.017 1.183 18134 1347 1 4 . 1 1 86 86 ALA CB C 86 19.350 19.350 19.067 0.283 18134 1348 1 4 . 1 1 86 86 ALA H H 86 8.320 8.320 8.331 -0.011 18134 1349 1 4 . 1 1 87 87 ALA N N 87 124.840 124.840 120.033 4.807 18134 1350 1 4 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.056 -0.006 18134 1351 1 4 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.923 1.397 18134 1352 1 4 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.955 -0.805 18134 1353 1 4 . 1 1 87 87 ALA H H 87 8.770 8.770 7.797 0.973 18134 1354 1 4 . 1 1 88 88 ARG N N 88 118.020 118.020 116.980 1.040 18134 1355 1 4 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.156 0.084 18134 1356 1 4 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.085 0.005 18134 1357 1 4 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.630 -0.190 18134 1358 1 4 . 1 1 88 88 ARG H H 88 8.010 8.010 7.791 0.219 18134 1359 1 4 . 1 1 89 89 SER N N 89 115.060 115.060 112.762 2.298 18134 1360 1 4 . 1 1 89 89 SER HA H 89 4.530 4.530 4.303 0.227 18134 1361 1 4 . 1 1 89 89 SER CA C 89 58.630 58.630 59.081 -0.452 18134 1362 1 4 . 1 1 89 89 SER CB C 89 64.370 64.370 63.399 0.971 18134 1363 1 4 . 1 1 89 89 SER H H 89 7.620 7.620 7.734 -0.114 18134 1364 1 4 . 1 1 90 90 LEU N N 90 126.540 126.540 123.874 2.666 18134 1365 1 4 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.241 0.169 18134 1366 1 4 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.227 0.243 18134 1367 1 4 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.587 -0.147 18134 1368 1 4 . 1 1 90 90 LEU H H 90 7.350 7.350 7.125 0.225 18134 1369 1 4 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.539 -0.149 18134 1370 1 4 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.161 1.119 18134 1371 1 4 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.181 0.329 18134 1372 1 4 . 1 1 92 92 LYS N N 92 122.480 122.480 120.144 2.336 18134 1373 1 4 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.207 0.113 18134 1374 1 4 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.852 0.428 18134 1375 1 4 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.574 0.776 18134 1376 1 4 . 1 1 92 92 LYS H H 92 8.330 8.330 8.154 0.176 18134 1377 1 4 . 1 1 93 93 VAL N N 93 122.310 122.310 120.819 1.491 18134 1378 1 4 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.124 -0.054 18134 1379 1 4 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.861 1.269 18134 1380 1 4 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.129 0.101 18134 1381 1 4 . 1 1 93 93 VAL H H 93 8.060 8.060 8.330 -0.270 18134 1382 1 4 . 1 1 94 94 LYS N N 94 127.330 127.330 128.115 -0.785 18134 1383 1 4 . 1 1 94 94 LYS HA H 94 4.290 4.290 3.990 0.300 18134 1384 1 4 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.735 -0.205 18134 1385 1 4 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.081 1.389 18134 1386 1 4 . 1 1 94 94 LYS H H 94 8.340 8.340 8.782 -0.442 18134 1387 1 4 . 1 1 95 95 ALA N N 95 127.620 127.620 120.225 7.395 18134 1388 1 4 . 1 1 95 95 ALA HA H 95 4.270 4.270 3.834 0.436 18134 1389 1 4 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.612 0.368 18134 1390 1 4 . 1 1 95 95 ALA CB C 95 19.350 19.350 18.095 1.255 18134 1391 1 4 . 1 1 95 95 ALA H H 95 8.290 8.290 7.633 0.657 18134 1392 1 4 . 1 1 96 96 LEU N N 96 123.670 123.670 118.611 5.059 18134 1393 1 4 . 1 1 96 96 LEU HA H 96 4.300 4.300 3.947 0.353 18134 1394 1 4 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.515 2.015 18134 1395 1 4 . 1 1 96 96 LEU CB C 96 42.650 42.650 40.847 1.803 18134 1396 1 4 . 1 1 96 96 LEU H H 96 8.240 8.240 8.528 -0.288 18134 1397 1 4 . 1 1 97 97 GLY N N 97 111.540 111.540 107.888 3.652 18134 1398 1 4 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.250 0.530 18134 1399 1 4 . 1 1 97 97 GLY H H 97 8.400 8.400 7.895 0.505 18134 1400 1 4 . 1 1 98 98 TYR N N 98 122.570 122.570 119.137 3.433 18134 1401 1 4 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.814 -0.224 18134 1402 1 4 . 1 1 98 98 TYR CA C 98 58.340 58.340 56.840 1.500 18134 1403 1 4 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.400 -0.250 18134 1404 1 4 . 1 1 98 98 TYR H H 98 8.060 8.060 7.396 0.664 18134 1405 1 4 . 1 1 99 99 ASP N N 99 124.880 124.880 121.852 3.028 18134 1406 1 4 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.684 -0.124 18134 1407 1 4 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.037 1.363 18134 1408 1 4 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.624 -0.974 18134 1409 1 4 . 1 1 99 99 ASP H H 99 8.350 8.350 8.721 -0.371 18134 1410 1 4 . 1 1 100 100 GLY N N 100 110.340 110.340 109.316 1.024 18134 1411 1 4 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.596 1.014 18134 1412 1 4 . 1 1 100 100 GLY H H 100 7.540 7.540 8.427 -0.887 18134 1413 1 5 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.712 -0.202 18134 1414 1 5 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.309 2.091 18134 1415 1 5 . 1 1 22 22 ILE CB C 22 39.150 39.150 39.543 -0.393 18134 1416 1 5 . 1 1 23 23 SER N N 23 120.770 120.770 121.935 -1.165 18134 1417 1 5 . 1 1 23 23 SER HA H 23 4.170 4.170 4.417 -0.247 18134 1418 1 5 . 1 1 23 23 SER H H 23 8.370 8.370 8.841 -0.471 18134 1419 1 5 . 1 1 26 26 ARG N N 26 123.960 123.960 119.667 4.293 18134 1420 1 5 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.499 -0.079 18134 1421 1 5 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.110 1.290 18134 1422 1 5 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.916 -0.696 18134 1423 1 5 . 1 1 26 26 ARG H H 26 8.160 8.160 8.295 -0.135 18134 1424 1 5 . 1 1 27 27 THR N N 27 117.400 117.400 111.479 5.921 18134 1425 1 5 . 1 1 27 27 THR HA H 27 4.240 4.240 4.621 -0.381 18134 1426 1 5 . 1 1 27 27 THR CA C 27 61.710 61.710 61.113 0.597 18134 1427 1 5 . 1 1 27 27 THR CB C 27 70.280 70.280 69.851 0.429 18134 1428 1 5 . 1 1 27 27 THR H H 27 8.150 8.150 8.285 -0.135 18134 1429 1 5 . 1 1 28 28 LEU N N 28 125.240 125.240 120.948 4.292 18134 1430 1 5 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.548 -0.248 18134 1431 1 5 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.308 1.492 18134 1432 1 5 . 1 1 28 28 LEU CB C 28 42.650 42.650 43.833 -1.183 18134 1433 1 5 . 1 1 28 28 LEU H H 28 8.230 8.230 7.552 0.678 18134 1434 1 5 . 1 1 29 29 GLU N N 29 123.420 123.420 116.771 6.649 18134 1435 1 5 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.077 0.223 18134 1436 1 5 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.641 -0.511 18134 1437 1 5 . 1 1 29 29 GLU CB C 29 30.340 30.340 28.370 1.970 18134 1438 1 5 . 1 1 29 29 GLU H H 29 8.360 8.360 8.479 -0.119 18134 1439 1 5 . 1 1 30 30 GLN N N 30 122.830 122.830 117.045 5.785 18134 1440 1 5 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.550 -0.010 18134 1441 1 5 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.627 1.293 18134 1442 1 5 . 1 1 30 30 GLN CB C 30 31.300 31.300 31.807 -0.507 18134 1443 1 5 . 1 1 30 30 GLN H H 30 8.090 8.090 7.874 0.216 18134 1444 1 5 . 1 1 31 31 SER N N 31 120.590 120.590 114.574 6.016 18134 1445 1 5 . 1 1 31 31 SER HA H 31 4.700 4.700 4.741 -0.041 18134 1446 1 5 . 1 1 31 31 SER CA C 31 57.610 57.610 56.420 1.190 18134 1447 1 5 . 1 1 31 31 SER CB C 31 65.900 65.900 65.091 0.809 18134 1448 1 5 . 1 1 31 31 SER H H 31 8.760 8.760 8.368 0.392 18134 1449 1 5 . 1 1 32 32 VAL N N 32 124.160 124.160 122.767 1.393 18134 1450 1 5 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.061 -0.291 18134 1451 1 5 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.884 0.746 18134 1452 1 5 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.898 0.372 18134 1453 1 5 . 1 1 32 32 VAL H H 32 9.030 9.030 8.994 0.036 18134 1454 1 5 . 1 1 33 33 GLY N N 33 110.070 110.070 107.175 2.895 18134 1455 1 5 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.874 0.326 18134 1456 1 5 . 1 1 33 33 GLY H H 33 9.020 9.020 8.076 0.944 18134 1457 1 5 . 1 1 34 34 GLU N N 34 124.850 124.850 123.541 1.309 18134 1458 1 5 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.064 0.016 18134 1459 1 5 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.818 0.602 18134 1460 1 5 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.910 1.430 18134 1461 1 5 . 1 1 34 34 GLU H H 34 7.960 7.960 8.327 -0.367 18134 1462 1 5 . 1 1 35 35 TRP N N 35 125.670 125.670 120.967 4.703 18134 1463 1 5 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.296 -0.056 18134 1464 1 5 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.422 1.288 18134 1465 1 5 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.172 -0.892 18134 1466 1 5 . 1 1 35 35 TRP H H 35 8.580 8.580 8.358 0.222 18134 1467 1 5 . 1 1 36 36 LEU N N 36 121.440 121.440 117.448 3.992 18134 1468 1 5 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.382 -0.032 18134 1469 1 5 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.711 -0.341 18134 1470 1 5 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.289 0.631 18134 1471 1 5 . 1 1 36 36 LEU H H 36 9.130 9.130 8.387 0.743 18134 1472 1 5 . 1 1 37 37 GLU N N 37 122.290 122.290 119.896 2.394 18134 1473 1 5 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.992 0.018 18134 1474 1 5 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.375 -0.315 18134 1475 1 5 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.202 -0.142 18134 1476 1 5 . 1 1 37 37 GLU H H 37 8.250 8.250 8.397 -0.147 18134 1477 1 5 . 1 1 38 38 SER N N 38 118.850 118.850 113.525 5.325 18134 1478 1 5 . 1 1 38 38 SER HA H 38 4.280 4.280 4.306 -0.026 18134 1479 1 5 . 1 1 38 38 SER CA C 38 61.820 61.820 60.659 1.161 18134 1480 1 5 . 1 1 38 38 SER CB C 38 63.650 63.650 63.435 0.214 18134 1481 1 5 . 1 1 38 38 SER H H 38 7.850 7.850 7.754 0.096 18134 1482 1 5 . 1 1 39 39 ILE N N 39 115.190 115.190 113.722 1.468 18134 1483 1 5 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.465 0.045 18134 1484 1 5 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.753 0.237 18134 1485 1 5 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.203 -0.543 18134 1486 1 5 . 1 1 39 39 ILE H H 39 6.940 6.940 7.182 -0.242 18134 1487 1 5 . 1 1 40 40 GLY N N 40 112.250 112.250 108.226 4.024 18134 1488 1 5 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.355 1.825 18134 1489 1 5 . 1 1 40 40 GLY H H 40 7.630 7.630 7.868 -0.238 18134 1490 1 5 . 1 1 41 41 LEU N N 41 121.470 121.470 120.199 1.271 18134 1491 1 5 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.522 0.248 18134 1492 1 5 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.311 0.319 18134 1493 1 5 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.429 0.701 18134 1494 1 5 . 1 1 41 41 LEU H H 41 7.810 7.810 8.286 -0.476 18134 1495 1 5 . 1 1 42 42 GLN N N 42 122.310 122.310 119.967 2.343 18134 1496 1 5 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.858 0.032 18134 1497 1 5 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.534 -0.124 18134 1498 1 5 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.273 -0.713 18134 1499 1 5 . 1 1 42 42 GLN H H 42 9.070 9.070 7.949 1.121 18134 1500 1 5 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.073 0.167 18134 1501 1 5 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.389 -0.389 18134 1502 1 5 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.745 -0.425 18134 1503 1 5 . 1 1 44 44 TYR N N 44 121.180 121.180 120.422 0.758 18134 1504 1 5 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.454 0.336 18134 1505 1 5 . 1 1 44 44 TYR CA C 44 58.580 58.580 58.418 0.162 18134 1506 1 5 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.271 0.029 18134 1507 1 5 . 1 1 44 44 TYR H H 44 7.640 7.640 8.100 -0.460 18134 1508 1 5 . 1 1 45 45 GLU N N 45 124.810 124.810 121.226 3.584 18134 1509 1 5 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.816 -0.206 18134 1510 1 5 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.102 1.488 18134 1511 1 5 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.149 0.941 18134 1512 1 5 . 1 1 45 45 GLU H H 45 7.850 7.850 7.757 0.093 18134 1513 1 5 . 1 1 46 46 SER N N 46 114.660 114.660 114.873 -0.213 18134 1514 1 5 . 1 1 46 46 SER HA H 46 4.000 4.000 4.103 -0.103 18134 1515 1 5 . 1 1 46 46 SER CA C 46 62.920 62.920 61.679 1.241 18134 1516 1 5 . 1 1 46 46 SER H H 46 8.790 8.790 8.276 0.514 18134 1517 1 5 . 1 1 47 47 LYS N N 47 122.810 122.810 121.735 1.075 18134 1518 1 5 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.090 0.030 18134 1519 1 5 . 1 1 47 47 LYS CA C 47 59.560 59.560 59.031 0.529 18134 1520 1 5 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.512 0.438 18134 1521 1 5 . 1 1 47 47 LYS H H 47 7.810 7.810 8.131 -0.321 18134 1522 1 5 . 1 1 48 48 LEU N N 48 121.420 121.420 118.585 2.835 18134 1523 1 5 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.332 -0.122 18134 1524 1 5 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.145 3.275 18134 1525 1 5 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.089 -1.739 18134 1526 1 5 . 1 1 48 48 LEU H H 48 8.010 8.010 8.050 -0.040 18134 1527 1 5 . 1 1 49 49 LEU N N 49 121.260 121.260 120.540 0.720 18134 1528 1 5 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.423 -0.533 18134 1529 1 5 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.252 1.808 18134 1530 1 5 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.622 -0.702 18134 1531 1 5 . 1 1 49 49 LEU H H 49 8.520 8.520 7.547 0.973 18134 1532 1 5 . 1 1 50 50 LEU N N 50 121.260 121.260 120.508 0.752 18134 1533 1 5 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.104 0.116 18134 1534 1 5 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.161 -0.151 18134 1535 1 5 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.902 0.258 18134 1536 1 5 . 1 1 50 50 LEU H H 50 8.530 8.530 8.631 -0.101 18134 1537 1 5 . 1 1 51 51 ASN N N 51 116.660 116.660 115.846 0.814 18134 1538 1 5 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.814 0.026 18134 1539 1 5 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.116 0.994 18134 1540 1 5 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.973 1.987 18134 1541 1 5 . 1 1 51 51 ASN H H 51 7.280 7.280 7.746 -0.466 18134 1542 1 5 . 1 1 52 52 GLY N N 52 107.530 107.530 107.694 -0.164 18134 1543 1 5 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.378 -0.248 18134 1544 1 5 . 1 1 52 52 GLY H H 52 7.720 7.720 7.746 -0.026 18134 1545 1 5 . 1 1 53 53 PHE N N 53 123.430 123.430 118.391 5.039 18134 1546 1 5 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.585 0.215 18134 1547 1 5 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.058 0.592 18134 1548 1 5 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.441 -1.341 18134 1549 1 5 . 1 1 53 53 PHE H H 53 8.210 8.210 7.540 0.670 18134 1550 1 5 . 1 1 54 54 ASP N N 54 117.170 117.170 118.443 -1.273 18134 1551 1 5 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.554 0.016 18134 1552 1 5 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.128 -1.138 18134 1553 1 5 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.859 0.941 18134 1554 1 5 . 1 1 54 54 ASP H H 54 7.720 7.720 8.259 -0.539 18134 1555 1 5 . 1 1 55 55 ASP N N 55 121.390 121.390 120.408 0.982 18134 1556 1 5 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.490 0.170 18134 1557 1 5 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.592 -0.322 18134 1558 1 5 . 1 1 55 55 ASP H H 55 7.830 7.830 8.077 -0.247 18134 1559 1 5 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.675 -0.265 18134 1560 1 5 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.108 0.952 18134 1561 1 5 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.840 -0.060 18134 1562 1 5 . 1 1 56 56 VAL H H 56 8.800 8.800 8.239 0.561 18134 1563 1 5 . 1 1 57 57 HIS N N 57 121.390 121.390 113.145 8.245 18134 1564 1 5 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.525 -0.325 18134 1565 1 5 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.240 0.890 18134 1566 1 5 . 1 1 57 57 HIS H H 57 8.390 8.390 8.027 0.363 18134 1567 1 5 . 1 1 58 58 PHE N N 58 121.980 121.980 118.764 3.216 18134 1568 1 5 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.686 -0.326 18134 1569 1 5 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.477 2.673 18134 1570 1 5 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.930 -1.060 18134 1571 1 5 . 1 1 58 58 PHE H H 58 7.930 7.930 7.757 0.173 18134 1572 1 5 . 1 1 59 59 LEU N N 59 121.800 121.800 121.631 0.169 18134 1573 1 5 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.390 -0.350 18134 1574 1 5 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.557 0.173 18134 1575 1 5 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.277 0.643 18134 1576 1 5 . 1 1 59 59 LEU H H 59 7.730 7.730 7.480 0.250 18134 1577 1 5 . 1 1 60 60 GLY N N 60 106.180 106.180 103.383 2.797 18134 1578 1 5 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.761 0.338 18134 1579 1 5 . 1 1 60 60 GLY H H 60 7.800 7.800 8.625 -0.825 18134 1580 1 5 . 1 1 61 61 SER N N 61 116.150 116.150 115.174 0.976 18134 1581 1 5 . 1 1 61 61 SER HA H 61 4.770 4.770 4.497 0.273 18134 1582 1 5 . 1 1 61 61 SER CA C 61 59.370 59.370 59.193 0.177 18134 1583 1 5 . 1 1 61 61 SER CB C 61 64.450 64.450 63.846 0.604 18134 1584 1 5 . 1 1 61 61 SER H H 61 7.610 7.610 7.788 -0.178 18134 1585 1 5 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.703 -0.033 18134 1586 1 5 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.425 -0.555 18134 1587 1 5 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.598 -0.448 18134 1588 1 5 . 1 1 63 63 VAL N N 63 120.030 120.030 122.491 -2.461 18134 1589 1 5 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.888 0.202 18134 1590 1 5 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.518 -1.838 18134 1591 1 5 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.266 0.604 18134 1592 1 5 . 1 1 63 63 VAL H H 63 7.770 7.770 8.507 -0.737 18134 1593 1 5 . 1 1 64 64 MET N N 64 125.400 125.400 116.622 8.778 18134 1594 1 5 . 1 1 64 64 MET HA H 64 4.460 4.460 4.101 0.359 18134 1595 1 5 . 1 1 64 64 MET CA C 64 55.610 55.610 55.897 -0.286 18134 1596 1 5 . 1 1 64 64 MET CB C 64 34.400 34.400 31.037 3.363 18134 1597 1 5 . 1 1 64 64 MET H H 64 7.900 7.900 8.093 -0.193 18134 1598 1 5 . 1 1 65 65 GLU N N 65 124.210 124.210 118.175 6.035 18134 1599 1 5 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.363 0.317 18134 1600 1 5 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.850 -1.130 18134 1601 1 5 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.605 1.395 18134 1602 1 5 . 1 1 65 65 GLU H H 65 8.810 8.810 8.159 0.651 18134 1603 1 5 . 1 1 66 66 GLU N N 66 125.500 125.500 120.194 5.306 18134 1604 1 5 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.923 -0.263 18134 1605 1 5 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.788 1.832 18134 1606 1 5 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.351 -0.101 18134 1607 1 5 . 1 1 66 66 GLU H H 66 9.290 9.290 8.833 0.457 18134 1608 1 5 . 1 1 67 67 GLN N N 67 119.780 119.780 119.841 -0.061 18134 1609 1 5 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.148 -0.408 18134 1610 1 5 . 1 1 67 67 GLN CA C 67 59.060 59.060 58.810 0.250 18134 1611 1 5 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.854 1.226 18134 1612 1 5 . 1 1 67 67 GLN H H 67 9.090 9.090 8.437 0.653 18134 1613 1 5 . 1 1 68 68 ASP N N 68 119.450 119.450 118.533 0.917 18134 1614 1 5 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.439 0.021 18134 1615 1 5 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.828 -0.028 18134 1616 1 5 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.506 0.884 18134 1617 1 5 . 1 1 68 68 ASP H H 68 7.400 7.400 8.603 -1.203 18134 1618 1 5 . 1 1 69 69 LEU N N 69 116.950 116.950 117.719 -0.769 18134 1619 1 5 . 1 1 69 69 LEU HA H 69 4.140 4.140 4.006 0.134 18134 1620 1 5 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.777 -1.247 18134 1621 1 5 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.799 -0.239 18134 1622 1 5 . 1 1 69 69 LEU H H 69 7.180 7.180 7.577 -0.397 18134 1623 1 5 . 1 1 70 70 ARG N N 70 123.140 123.140 119.313 3.827 18134 1624 1 5 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.036 -0.116 18134 1625 1 5 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.888 0.892 18134 1626 1 5 . 1 1 70 70 ARG CB C 70 30.220 30.220 29.970 0.250 18134 1627 1 5 . 1 1 70 70 ARG H H 70 7.990 7.990 7.421 0.569 18134 1628 1 5 . 1 1 71 71 ASP N N 71 121.960 121.960 118.336 3.624 18134 1629 1 5 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.435 0.015 18134 1630 1 5 . 1 1 71 71 ASP CA C 71 57.360 57.360 57.039 0.321 18134 1631 1 5 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.939 -0.389 18134 1632 1 5 . 1 1 71 71 ASP H H 71 8.460 8.460 8.377 0.083 18134 1633 1 5 . 1 1 72 72 ILE N N 72 112.900 112.900 112.059 0.841 18134 1634 1 5 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.297 0.193 18134 1635 1 5 . 1 1 72 72 ILE CA C 72 61.960 61.960 61.652 0.308 18134 1636 1 5 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.396 -0.096 18134 1637 1 5 . 1 1 72 72 ILE H H 72 7.180 7.180 7.428 -0.248 18134 1638 1 5 . 1 1 73 73 GLY N N 73 108.400 108.400 107.702 0.698 18134 1639 1 5 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.878 1.272 18134 1640 1 5 . 1 1 73 73 GLY H H 73 7.650 7.650 7.450 0.200 18134 1641 1 5 . 1 1 74 74 ILE N N 74 123.110 123.110 124.880 -1.770 18134 1642 1 5 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.280 0.850 18134 1643 1 5 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.475 -1.245 18134 1644 1 5 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.571 -2.131 18134 1645 1 5 . 1 1 74 74 ILE H H 74 7.860 7.860 7.828 0.032 18134 1646 1 5 . 1 1 75 75 SER HA H 75 3.820 3.820 4.525 -0.705 18134 1647 1 5 . 1 1 75 75 SER CA C 75 59.540 59.540 57.690 1.850 18134 1648 1 5 . 1 1 75 75 SER CB C 75 63.630 63.630 64.409 -0.779 18134 1649 1 5 . 1 1 76 76 ASP N N 76 127.640 127.640 123.736 3.904 18134 1650 1 5 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.793 0.007 18134 1651 1 5 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.304 -0.004 18134 1652 1 5 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.999 0.041 18134 1653 1 5 . 1 1 76 76 ASP H H 76 8.000 8.000 7.948 0.052 18134 1654 1 5 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.221 -0.231 18134 1655 1 5 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.262 0.318 18134 1656 1 5 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.102 2.338 18134 1657 1 5 . 1 1 78 78 GLN N N 78 120.390 120.390 115.689 4.701 18134 1658 1 5 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.162 -0.012 18134 1659 1 5 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.369 0.811 18134 1660 1 5 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.796 0.004 18134 1661 1 5 . 1 1 78 78 GLN H H 78 8.200 8.200 8.891 -0.691 18134 1662 1 5 . 1 1 79 79 HIS N N 79 123.160 123.160 116.560 6.600 18134 1663 1 5 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.583 -0.183 18134 1664 1 5 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.379 1.111 18134 1665 1 5 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.166 1.014 18134 1666 1 5 . 1 1 79 79 HIS H H 79 8.060 8.060 7.991 0.069 18134 1667 1 5 . 1 1 80 80 ARG N N 80 118.250 118.250 120.568 -2.318 18134 1668 1 5 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.178 -0.418 18134 1669 1 5 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.268 2.572 18134 1670 1 5 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.621 1.159 18134 1671 1 5 . 1 1 80 80 ARG H H 80 8.060 8.060 7.934 0.126 18134 1672 1 5 . 1 1 81 81 ARG N N 81 118.850 118.850 119.073 -0.223 18134 1673 1 5 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.140 -0.210 18134 1674 1 5 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.868 1.402 18134 1675 1 5 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.084 0.136 18134 1676 1 5 . 1 1 81 81 ARG H H 81 7.700 7.700 7.994 -0.294 18134 1677 1 5 . 1 1 82 82 LYS N N 82 121.700 121.700 119.667 2.033 18134 1678 1 5 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.112 -0.062 18134 1679 1 5 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.504 0.156 18134 1680 1 5 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.128 0.982 18134 1681 1 5 . 1 1 82 82 LYS H H 82 8.030 8.030 8.034 -0.004 18134 1682 1 5 . 1 1 83 83 LEU N N 83 122.310 122.310 119.421 2.889 18134 1683 1 5 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.054 -0.244 18134 1684 1 5 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.054 1.406 18134 1685 1 5 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.241 1.409 18134 1686 1 5 . 1 1 83 83 LEU H H 83 8.130 8.130 7.510 0.620 18134 1687 1 5 . 1 1 84 84 LEU N N 84 119.760 119.760 118.215 1.545 18134 1688 1 5 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.317 -0.347 18134 1689 1 5 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.475 1.865 18134 1690 1 5 . 1 1 84 84 LEU CB C 84 42.040 42.040 42.175 -0.135 18134 1691 1 5 . 1 1 84 84 LEU H H 84 8.030 8.030 7.500 0.530 18134 1692 1 5 . 1 1 85 85 GLN N N 85 119.520 119.520 120.173 -0.653 18134 1693 1 5 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.149 -0.149 18134 1694 1 5 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.142 -0.142 18134 1695 1 5 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.893 -0.003 18134 1696 1 5 . 1 1 85 85 GLN H H 85 8.340 8.340 8.030 0.310 18134 1697 1 5 . 1 1 86 86 ALA N N 86 124.280 124.280 120.463 3.817 18134 1698 1 5 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.441 -0.151 18134 1699 1 5 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.058 1.142 18134 1700 1 5 . 1 1 86 86 ALA CB C 86 19.350 19.350 19.110 0.240 18134 1701 1 5 . 1 1 86 86 ALA H H 86 8.320 8.320 7.801 0.519 18134 1702 1 5 . 1 1 87 87 ALA N N 87 124.840 124.840 120.210 4.630 18134 1703 1 5 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.220 -0.170 18134 1704 1 5 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.094 1.226 18134 1705 1 5 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.865 -0.715 18134 1706 1 5 . 1 1 87 87 ALA H H 87 8.770 8.770 7.750 1.020 18134 1707 1 5 . 1 1 88 88 ARG N N 88 118.020 118.020 117.991 0.029 18134 1708 1 5 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.159 0.081 18134 1709 1 5 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.308 -0.218 18134 1710 1 5 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.524 -0.084 18134 1711 1 5 . 1 1 88 88 ARG H H 88 8.010 8.010 7.824 0.186 18134 1712 1 5 . 1 1 89 89 SER N N 89 115.060 115.060 113.162 1.898 18134 1713 1 5 . 1 1 89 89 SER HA H 89 4.530 4.530 4.340 0.190 18134 1714 1 5 . 1 1 89 89 SER CA C 89 58.630 58.630 59.467 -0.837 18134 1715 1 5 . 1 1 89 89 SER CB C 89 64.370 64.370 63.419 0.951 18134 1716 1 5 . 1 1 89 89 SER H H 89 7.620 7.620 7.670 -0.050 18134 1717 1 5 . 1 1 90 90 LEU N N 90 126.540 126.540 122.972 3.568 18134 1718 1 5 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.352 0.058 18134 1719 1 5 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.607 0.863 18134 1720 1 5 . 1 1 90 90 LEU CB C 90 41.440 41.440 42.077 -0.637 18134 1721 1 5 . 1 1 90 90 LEU H H 90 7.350 7.350 7.026 0.324 18134 1722 1 5 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.575 -0.185 18134 1723 1 5 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.194 1.086 18134 1724 1 5 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.144 0.366 18134 1725 1 5 . 1 1 92 92 LYS N N 92 122.480 122.480 123.033 -0.553 18134 1726 1 5 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.115 0.205 18134 1727 1 5 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.914 0.366 18134 1728 1 5 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.330 1.020 18134 1729 1 5 . 1 1 92 92 LYS H H 92 8.330 8.330 8.240 0.090 18134 1730 1 5 . 1 1 93 93 VAL N N 93 122.310 122.310 121.164 1.146 18134 1731 1 5 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.001 0.069 18134 1732 1 5 . 1 1 93 93 VAL CA C 93 63.130 63.130 62.511 0.619 18134 1733 1 5 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.603 0.627 18134 1734 1 5 . 1 1 93 93 VAL H H 93 8.060 8.060 8.331 -0.271 18134 1735 1 5 . 1 1 94 94 LYS N N 94 127.330 127.330 129.060 -1.730 18134 1736 1 5 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.181 0.109 18134 1737 1 5 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.758 -0.228 18134 1738 1 5 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.694 0.776 18134 1739 1 5 . 1 1 94 94 LYS H H 94 8.340 8.340 8.180 0.160 18134 1740 1 5 . 1 1 95 95 ALA N N 95 127.620 127.620 124.882 2.738 18134 1741 1 5 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.543 -0.273 18134 1742 1 5 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.386 1.594 18134 1743 1 5 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.173 0.177 18134 1744 1 5 . 1 1 95 95 ALA H H 95 8.290 8.290 8.317 -0.027 18134 1745 1 5 . 1 1 96 96 LEU N N 96 123.670 123.670 124.828 -1.158 18134 1746 1 5 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.264 0.036 18134 1747 1 5 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.851 1.679 18134 1748 1 5 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.746 -0.096 18134 1749 1 5 . 1 1 96 96 LEU H H 96 8.240 8.240 8.549 -0.309 18134 1750 1 5 . 1 1 97 97 GLY N N 97 111.540 111.540 114.313 -2.773 18134 1751 1 5 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.152 0.628 18134 1752 1 5 . 1 1 97 97 GLY H H 97 8.400 8.400 8.820 -0.420 18134 1753 1 5 . 1 1 98 98 TYR N N 98 122.570 122.570 114.296 8.274 18134 1754 1 5 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.463 0.127 18134 1755 1 5 . 1 1 98 98 TYR CA C 98 58.340 58.340 56.135 2.205 18134 1756 1 5 . 1 1 98 98 TYR CB C 98 39.150 39.150 38.844 0.306 18134 1757 1 5 . 1 1 98 98 TYR H H 98 8.060 8.060 7.778 0.282 18134 1758 1 5 . 1 1 99 99 ASP N N 99 124.880 124.880 121.165 3.715 18134 1759 1 5 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.398 0.162 18134 1760 1 5 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.240 1.160 18134 1761 1 5 . 1 1 99 99 ASP CB C 99 41.650 41.650 40.698 0.952 18134 1762 1 5 . 1 1 99 99 ASP H H 99 8.350 8.350 8.369 -0.019 18134 1763 1 5 . 1 1 100 100 GLY N N 100 110.340 110.340 109.656 0.684 18134 1764 1 5 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.435 1.175 18134 1765 1 5 . 1 1 100 100 GLY H H 100 7.540 7.540 7.840 -0.300 18134 1766 1 6 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.999 -0.489 18134 1767 1 6 . 1 1 22 22 ILE CA C 22 63.400 63.400 60.670 2.730 18134 1768 1 6 . 1 1 22 22 ILE CB C 22 39.150 39.150 40.609 -1.459 18134 1769 1 6 . 1 1 23 23 SER N N 23 120.770 120.770 115.733 5.037 18134 1770 1 6 . 1 1 23 23 SER HA H 23 4.170 4.170 4.599 -0.429 18134 1771 1 6 . 1 1 23 23 SER H H 23 8.370 8.370 8.702 -0.332 18134 1772 1 6 . 1 1 26 26 ARG N N 26 123.960 123.960 119.709 4.251 18134 1773 1 6 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.632 -0.212 18134 1774 1 6 . 1 1 26 26 ARG CA C 26 56.400 56.400 54.966 1.434 18134 1775 1 6 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.434 -1.214 18134 1776 1 6 . 1 1 26 26 ARG H H 26 8.160 8.160 8.386 -0.226 18134 1777 1 6 . 1 1 27 27 THR N N 27 117.400 117.400 111.182 6.218 18134 1778 1 6 . 1 1 27 27 THR HA H 27 4.240 4.240 4.796 -0.556 18134 1779 1 6 . 1 1 27 27 THR CA C 27 61.710 61.710 60.861 0.849 18134 1780 1 6 . 1 1 27 27 THR CB C 27 70.280 70.280 71.106 -0.826 18134 1781 1 6 . 1 1 27 27 THR H H 27 8.150 8.150 8.121 0.029 18134 1782 1 6 . 1 1 28 28 LEU N N 28 125.240 125.240 116.169 9.071 18134 1783 1 6 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.581 -0.281 18134 1784 1 6 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.836 0.964 18134 1785 1 6 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.858 -0.208 18134 1786 1 6 . 1 1 28 28 LEU H H 28 8.230 8.230 8.200 0.030 18134 1787 1 6 . 1 1 29 29 GLU N N 29 123.420 123.420 119.264 4.156 18134 1788 1 6 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.098 0.202 18134 1789 1 6 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.805 0.325 18134 1790 1 6 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.159 1.181 18134 1791 1 6 . 1 1 29 29 GLU H H 29 8.360 8.360 8.464 -0.104 18134 1792 1 6 . 1 1 30 30 GLN N N 30 122.830 122.830 117.394 5.436 18134 1793 1 6 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.353 0.187 18134 1794 1 6 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.492 -0.573 18134 1795 1 6 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.470 1.830 18134 1796 1 6 . 1 1 30 30 GLN H H 30 8.090 8.090 7.963 0.127 18134 1797 1 6 . 1 1 31 31 SER N N 31 120.590 120.590 116.656 3.934 18134 1798 1 6 . 1 1 31 31 SER HA H 31 4.700 4.700 4.639 0.061 18134 1799 1 6 . 1 1 31 31 SER CA C 31 57.610 57.610 56.282 1.328 18134 1800 1 6 . 1 1 31 31 SER CB C 31 65.900 65.900 65.006 0.894 18134 1801 1 6 . 1 1 31 31 SER H H 31 8.760 8.760 8.260 0.500 18134 1802 1 6 . 1 1 32 32 VAL N N 32 124.160 124.160 122.067 2.093 18134 1803 1 6 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.078 -0.308 18134 1804 1 6 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.297 0.333 18134 1805 1 6 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.823 0.447 18134 1806 1 6 . 1 1 32 32 VAL H H 32 9.030 9.030 9.006 0.024 18134 1807 1 6 . 1 1 33 33 GLY N N 33 110.070 110.070 107.032 3.038 18134 1808 1 6 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.861 0.339 18134 1809 1 6 . 1 1 33 33 GLY H H 33 9.020 9.020 8.307 0.713 18134 1810 1 6 . 1 1 34 34 GLU N N 34 124.850 124.850 123.458 1.392 18134 1811 1 6 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.053 0.027 18134 1812 1 6 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.750 0.670 18134 1813 1 6 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.889 1.451 18134 1814 1 6 . 1 1 34 34 GLU H H 34 7.960 7.960 8.290 -0.330 18134 1815 1 6 . 1 1 35 35 TRP N N 35 125.670 125.670 121.411 4.259 18134 1816 1 6 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.501 -0.261 18134 1817 1 6 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.103 1.607 18134 1818 1 6 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.006 -0.726 18134 1819 1 6 . 1 1 35 35 TRP H H 35 8.580 8.580 8.327 0.253 18134 1820 1 6 . 1 1 36 36 LEU N N 36 121.440 121.440 117.357 4.083 18134 1821 1 6 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.406 -0.056 18134 1822 1 6 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.711 -0.341 18134 1823 1 6 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.290 0.630 18134 1824 1 6 . 1 1 36 36 LEU H H 36 9.130 9.130 8.344 0.786 18134 1825 1 6 . 1 1 37 37 GLU N N 37 122.290 122.290 119.656 2.634 18134 1826 1 6 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.020 -0.010 18134 1827 1 6 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.315 -0.254 18134 1828 1 6 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.278 -0.218 18134 1829 1 6 . 1 1 37 37 GLU H H 37 8.250 8.250 8.390 -0.140 18134 1830 1 6 . 1 1 38 38 SER N N 38 118.850 118.850 113.173 5.677 18134 1831 1 6 . 1 1 38 38 SER HA H 38 4.280 4.280 4.332 -0.052 18134 1832 1 6 . 1 1 38 38 SER CA C 38 61.820 61.820 60.501 1.319 18134 1833 1 6 . 1 1 38 38 SER CB C 38 63.650 63.650 63.333 0.317 18134 1834 1 6 . 1 1 38 38 SER H H 38 7.850 7.850 7.910 -0.060 18134 1835 1 6 . 1 1 39 39 ILE N N 39 115.190 115.190 112.257 2.933 18134 1836 1 6 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.401 0.109 18134 1837 1 6 . 1 1 39 39 ILE CA C 39 60.990 60.990 61.049 -0.059 18134 1838 1 6 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.309 -0.649 18134 1839 1 6 . 1 1 39 39 ILE H H 39 6.940 6.940 7.191 -0.251 18134 1840 1 6 . 1 1 40 40 GLY N N 40 112.250 112.250 108.590 3.660 18134 1841 1 6 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.331 1.849 18134 1842 1 6 . 1 1 40 40 GLY H H 40 7.630 7.630 8.007 -0.377 18134 1843 1 6 . 1 1 41 41 LEU N N 41 121.470 121.470 120.161 1.309 18134 1844 1 6 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.514 0.256 18134 1845 1 6 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.330 0.300 18134 1846 1 6 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.433 0.697 18134 1847 1 6 . 1 1 41 41 LEU H H 41 7.810 7.810 8.279 -0.469 18134 1848 1 6 . 1 1 42 42 GLN N N 42 122.310 122.310 119.978 2.332 18134 1849 1 6 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.857 0.033 18134 1850 1 6 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.492 -0.082 18134 1851 1 6 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.277 -0.718 18134 1852 1 6 . 1 1 42 42 GLN H H 42 9.070 9.070 7.895 1.175 18134 1853 1 6 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.014 0.226 18134 1854 1 6 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.293 -0.293 18134 1855 1 6 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.808 -0.488 18134 1856 1 6 . 1 1 44 44 TYR N N 44 121.180 121.180 119.473 1.707 18134 1857 1 6 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.518 0.272 18134 1858 1 6 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.763 0.817 18134 1859 1 6 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.916 0.384 18134 1860 1 6 . 1 1 44 44 TYR H H 44 7.640 7.640 7.967 -0.327 18134 1861 1 6 . 1 1 45 45 GLU N N 45 124.810 124.810 120.799 4.011 18134 1862 1 6 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.858 -0.248 18134 1863 1 6 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.889 1.701 18134 1864 1 6 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.416 0.674 18134 1865 1 6 . 1 1 45 45 GLU H H 45 7.850 7.850 7.676 0.174 18134 1866 1 6 . 1 1 46 46 SER N N 46 114.660 114.660 114.342 0.318 18134 1867 1 6 . 1 1 46 46 SER HA H 46 4.000 4.000 4.168 -0.168 18134 1868 1 6 . 1 1 46 46 SER CA C 46 62.920 62.920 61.217 1.703 18134 1869 1 6 . 1 1 46 46 SER H H 46 8.790 8.790 8.171 0.619 18134 1870 1 6 . 1 1 47 47 LYS N N 47 122.810 122.810 121.861 0.949 18134 1871 1 6 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.200 -0.080 18134 1872 1 6 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.669 0.891 18134 1873 1 6 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.231 0.719 18134 1874 1 6 . 1 1 47 47 LYS H H 47 7.810 7.810 7.790 0.020 18134 1875 1 6 . 1 1 48 48 LEU N N 48 121.420 121.420 119.015 2.405 18134 1876 1 6 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.267 -0.057 18134 1877 1 6 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.713 2.707 18134 1878 1 6 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.865 -1.516 18134 1879 1 6 . 1 1 48 48 LEU H H 48 8.010 8.010 7.439 0.571 18134 1880 1 6 . 1 1 49 49 LEU N N 49 121.260 121.260 120.671 0.589 18134 1881 1 6 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.395 -0.505 18134 1882 1 6 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.485 1.575 18134 1883 1 6 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.469 -0.549 18134 1884 1 6 . 1 1 49 49 LEU H H 49 8.520 8.520 7.575 0.945 18134 1885 1 6 . 1 1 50 50 LEU N N 50 121.260 121.260 120.629 0.631 18134 1886 1 6 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.084 0.136 18134 1887 1 6 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.296 -0.286 18134 1888 1 6 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.031 0.129 18134 1889 1 6 . 1 1 50 50 LEU H H 50 8.530 8.530 8.557 -0.027 18134 1890 1 6 . 1 1 51 51 ASN N N 51 116.660 116.660 115.730 0.930 18134 1891 1 6 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.819 0.021 18134 1892 1 6 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.218 0.893 18134 1893 1 6 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.815 2.145 18134 1894 1 6 . 1 1 51 51 ASN H H 51 7.280 7.280 7.657 -0.377 18134 1895 1 6 . 1 1 52 52 GLY N N 52 107.530 107.530 107.436 0.094 18134 1896 1 6 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.370 -0.240 18134 1897 1 6 . 1 1 52 52 GLY H H 52 7.720 7.720 7.745 -0.025 18134 1898 1 6 . 1 1 53 53 PHE N N 53 123.430 123.430 118.533 4.897 18134 1899 1 6 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.509 0.291 18134 1900 1 6 . 1 1 53 53 PHE CA C 53 56.650 56.650 57.073 -0.423 18134 1901 1 6 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.477 -1.377 18134 1902 1 6 . 1 1 53 53 PHE H H 53 8.210 8.210 7.495 0.715 18134 1903 1 6 . 1 1 54 54 ASP N N 54 117.170 117.170 118.915 -1.745 18134 1904 1 6 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.476 0.094 18134 1905 1 6 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.734 -1.744 18134 1906 1 6 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.830 0.970 18134 1907 1 6 . 1 1 54 54 ASP H H 54 7.720 7.720 8.290 -0.570 18134 1908 1 6 . 1 1 55 55 ASP N N 55 121.390 121.390 121.340 0.050 18134 1909 1 6 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.704 -0.044 18134 1910 1 6 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.717 -0.447 18134 1911 1 6 . 1 1 55 55 ASP H H 55 7.830 7.830 7.888 -0.058 18134 1912 1 6 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.701 -0.291 18134 1913 1 6 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.126 0.934 18134 1914 1 6 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.832 -0.052 18134 1915 1 6 . 1 1 56 56 VAL H H 56 8.800 8.800 8.124 0.676 18134 1916 1 6 . 1 1 57 57 HIS N N 57 121.390 121.390 113.372 8.018 18134 1917 1 6 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.597 -0.397 18134 1918 1 6 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.862 0.268 18134 1919 1 6 . 1 1 57 57 HIS H H 57 8.390 8.390 8.433 -0.043 18134 1920 1 6 . 1 1 58 58 PHE N N 58 121.980 121.980 118.452 3.528 18134 1921 1 6 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.290 0.070 18134 1922 1 6 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.690 1.460 18134 1923 1 6 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.156 -0.286 18134 1924 1 6 . 1 1 58 58 PHE H H 58 7.930 7.930 7.940 -0.010 18134 1925 1 6 . 1 1 59 59 LEU N N 59 121.800 121.800 120.318 1.482 18134 1926 1 6 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.362 -0.322 18134 1927 1 6 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.952 -0.222 18134 1928 1 6 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.868 0.052 18134 1929 1 6 . 1 1 59 59 LEU H H 59 7.730 7.730 7.824 -0.094 18134 1930 1 6 . 1 1 60 60 GLY N N 60 106.180 106.180 103.219 2.961 18134 1931 1 6 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.238 0.862 18134 1932 1 6 . 1 1 60 60 GLY H H 60 7.800 7.800 8.551 -0.751 18134 1933 1 6 . 1 1 61 61 SER N N 61 116.150 116.150 117.285 -1.135 18134 1934 1 6 . 1 1 61 61 SER HA H 61 4.770 4.770 4.432 0.338 18134 1935 1 6 . 1 1 61 61 SER CA C 61 59.370 59.370 58.856 0.513 18134 1936 1 6 . 1 1 61 61 SER CB C 61 64.450 64.450 64.436 0.014 18134 1937 1 6 . 1 1 61 61 SER H H 61 7.610 7.610 7.936 -0.326 18134 1938 1 6 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.630 0.040 18134 1939 1 6 . 1 1 62 62 ASN CA C 62 53.870 53.870 53.232 0.638 18134 1940 1 6 . 1 1 62 62 ASN CB C 62 39.150 39.150 38.897 0.253 18134 1941 1 6 . 1 1 63 63 VAL N N 63 120.030 120.030 117.750 2.280 18134 1942 1 6 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.850 0.240 18134 1943 1 6 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.098 -1.418 18134 1944 1 6 . 1 1 63 63 VAL CB C 63 32.870 32.870 31.922 0.948 18134 1945 1 6 . 1 1 63 63 VAL H H 63 7.770 7.770 8.369 -0.599 18134 1946 1 6 . 1 1 64 64 MET N N 64 125.400 125.400 115.867 9.533 18134 1947 1 6 . 1 1 64 64 MET HA H 64 4.460 4.460 4.374 0.086 18134 1948 1 6 . 1 1 64 64 MET CA C 64 55.610 55.610 55.975 -0.365 18134 1949 1 6 . 1 1 64 64 MET CB C 64 34.400 34.400 30.285 4.114 18134 1950 1 6 . 1 1 64 64 MET H H 64 7.900 7.900 8.081 -0.181 18134 1951 1 6 . 1 1 65 65 GLU N N 65 124.210 124.210 118.446 5.764 18134 1952 1 6 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.434 0.246 18134 1953 1 6 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.136 -0.416 18134 1954 1 6 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.189 0.811 18134 1955 1 6 . 1 1 65 65 GLU H H 65 8.810 8.810 7.971 0.839 18134 1956 1 6 . 1 1 66 66 GLU N N 66 125.500 125.500 121.933 3.567 18134 1957 1 6 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.792 -0.132 18134 1958 1 6 . 1 1 66 66 GLU CA C 66 61.620 61.620 61.108 0.512 18134 1959 1 6 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.768 -0.518 18134 1960 1 6 . 1 1 66 66 GLU H H 66 9.290 9.290 8.830 0.460 18134 1961 1 6 . 1 1 67 67 GLN N N 67 119.780 119.780 117.289 2.491 18134 1962 1 6 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.011 -0.271 18134 1963 1 6 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.120 -0.060 18134 1964 1 6 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.109 0.971 18134 1965 1 6 . 1 1 67 67 GLN H H 67 9.090 9.090 8.583 0.507 18134 1966 1 6 . 1 1 68 68 ASP N N 68 119.450 119.450 120.291 -0.841 18134 1967 1 6 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.466 -0.006 18134 1968 1 6 . 1 1 68 68 ASP CA C 68 57.800 57.800 56.995 0.805 18134 1969 1 6 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.810 0.580 18134 1970 1 6 . 1 1 68 68 ASP H H 68 7.400 7.400 7.509 -0.109 18134 1971 1 6 . 1 1 69 69 LEU N N 69 116.950 116.950 119.537 -2.587 18134 1972 1 6 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.877 0.263 18134 1973 1 6 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.992 -0.462 18134 1974 1 6 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.604 -0.044 18134 1975 1 6 . 1 1 69 69 LEU H H 69 7.180 7.180 7.910 -0.730 18134 1976 1 6 . 1 1 70 70 ARG N N 70 123.140 123.140 119.125 4.015 18134 1977 1 6 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.027 -0.107 18134 1978 1 6 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.941 0.838 18134 1979 1 6 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.182 0.038 18134 1980 1 6 . 1 1 70 70 ARG H H 70 7.990 7.990 8.248 -0.258 18134 1981 1 6 . 1 1 71 71 ASP N N 71 121.960 121.960 118.563 3.397 18134 1982 1 6 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.436 0.014 18134 1983 1 6 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.757 0.603 18134 1984 1 6 . 1 1 71 71 ASP CB C 71 40.550 40.550 41.206 -0.656 18134 1985 1 6 . 1 1 71 71 ASP H H 71 8.460 8.460 7.944 0.516 18134 1986 1 6 . 1 1 72 72 ILE N N 72 112.900 112.900 111.452 1.448 18134 1987 1 6 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.265 0.225 18134 1988 1 6 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.278 -0.318 18134 1989 1 6 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.541 -0.241 18134 1990 1 6 . 1 1 72 72 ILE H H 72 7.180 7.180 7.440 -0.260 18134 1991 1 6 . 1 1 73 73 GLY N N 73 108.400 108.400 107.146 1.254 18134 1992 1 6 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.754 1.396 18134 1993 1 6 . 1 1 73 73 GLY H H 73 7.650 7.650 7.336 0.314 18134 1994 1 6 . 1 1 74 74 ILE N N 74 123.110 123.110 125.067 -1.957 18134 1995 1 6 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.252 0.878 18134 1996 1 6 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.127 -0.897 18134 1997 1 6 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.586 -2.146 18134 1998 1 6 . 1 1 74 74 ILE H H 74 7.860 7.860 7.638 0.222 18134 1999 1 6 . 1 1 75 75 SER HA H 75 3.820 3.820 4.571 -0.751 18134 2000 1 6 . 1 1 75 75 SER CA C 75 59.540 59.540 57.435 2.105 18134 2001 1 6 . 1 1 75 75 SER CB C 75 63.630 63.630 64.425 -0.795 18134 2002 1 6 . 1 1 76 76 ASP N N 76 127.640 127.640 123.057 4.583 18134 2003 1 6 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.904 -0.104 18134 2004 1 6 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.534 0.766 18134 2005 1 6 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.467 -0.427 18134 2006 1 6 . 1 1 76 76 ASP H H 76 8.000 8.000 7.682 0.318 18134 2007 1 6 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.267 -0.277 18134 2008 1 6 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.581 -0.000 18134 2009 1 6 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.173 2.267 18134 2010 1 6 . 1 1 78 78 GLN N N 78 120.390 120.390 115.452 4.938 18134 2011 1 6 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.187 -0.037 18134 2012 1 6 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.090 1.090 18134 2013 1 6 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.001 -0.201 18134 2014 1 6 . 1 1 78 78 GLN H H 78 8.200 8.200 8.843 -0.643 18134 2015 1 6 . 1 1 79 79 HIS N N 79 123.160 123.160 116.380 6.780 18134 2016 1 6 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.643 -0.243 18134 2017 1 6 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.859 0.631 18134 2018 1 6 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.282 0.898 18134 2019 1 6 . 1 1 79 79 HIS H H 79 8.060 8.060 7.885 0.175 18134 2020 1 6 . 1 1 80 80 ARG N N 80 118.250 118.250 120.569 -2.319 18134 2021 1 6 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.120 -0.360 18134 2022 1 6 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.651 2.189 18134 2023 1 6 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.399 1.381 18134 2024 1 6 . 1 1 80 80 ARG H H 80 8.060 8.060 8.335 -0.275 18134 2025 1 6 . 1 1 81 81 ARG N N 81 118.850 118.850 119.082 -0.232 18134 2026 1 6 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.205 -0.275 18134 2027 1 6 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.485 1.785 18134 2028 1 6 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.877 0.343 18134 2029 1 6 . 1 1 81 81 ARG H H 81 7.700 7.700 8.094 -0.394 18134 2030 1 6 . 1 1 82 82 LYS N N 82 121.700 121.700 120.458 1.242 18134 2031 1 6 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.077 -0.027 18134 2032 1 6 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.911 -0.251 18134 2033 1 6 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.024 1.086 18134 2034 1 6 . 1 1 82 82 LYS H H 82 8.030 8.030 7.883 0.147 18134 2035 1 6 . 1 1 83 83 LEU N N 83 122.310 122.310 119.726 2.584 18134 2036 1 6 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.013 -0.203 18134 2037 1 6 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.536 0.924 18134 2038 1 6 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.039 0.611 18134 2039 1 6 . 1 1 83 83 LEU H H 83 8.130 8.130 7.622 0.508 18134 2040 1 6 . 1 1 84 84 LEU N N 84 119.760 119.760 118.673 1.087 18134 2041 1 6 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.209 -0.239 18134 2042 1 6 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.958 1.382 18134 2043 1 6 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.622 0.418 18134 2044 1 6 . 1 1 84 84 LEU H H 84 8.030 8.030 7.451 0.579 18134 2045 1 6 . 1 1 85 85 GLN N N 85 119.520 119.520 120.047 -0.527 18134 2046 1 6 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.144 -0.144 18134 2047 1 6 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.065 -0.065 18134 2048 1 6 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.978 -0.088 18134 2049 1 6 . 1 1 85 85 GLN H H 85 8.340 8.340 7.751 0.589 18134 2050 1 6 . 1 1 86 86 ALA N N 86 124.280 124.280 120.319 3.961 18134 2051 1 6 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.401 -0.111 18134 2052 1 6 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.045 1.155 18134 2053 1 6 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.783 0.567 18134 2054 1 6 . 1 1 86 86 ALA H H 86 8.320 8.320 8.095 0.225 18134 2055 1 6 . 1 1 87 87 ALA N N 87 124.840 124.840 121.294 3.546 18134 2056 1 6 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.281 -0.231 18134 2057 1 6 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.732 1.588 18134 2058 1 6 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.622 -1.472 18134 2059 1 6 . 1 1 87 87 ALA H H 87 8.770 8.770 7.644 1.126 18134 2060 1 6 . 1 1 88 88 ARG N N 88 118.020 118.020 117.558 0.462 18134 2061 1 6 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.149 0.091 18134 2062 1 6 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.345 -0.255 18134 2063 1 6 . 1 1 88 88 ARG CB C 88 30.440 30.440 29.677 0.763 18134 2064 1 6 . 1 1 88 88 ARG H H 88 8.010 8.010 7.927 0.083 18134 2065 1 6 . 1 1 89 89 SER N N 89 115.060 115.060 114.858 0.202 18134 2066 1 6 . 1 1 89 89 SER HA H 89 4.530 4.530 4.334 0.196 18134 2067 1 6 . 1 1 89 89 SER CA C 89 58.630 58.630 59.596 -0.966 18134 2068 1 6 . 1 1 89 89 SER CB C 89 64.370 64.370 63.679 0.691 18134 2069 1 6 . 1 1 89 89 SER H H 89 7.620 7.620 7.721 -0.101 18134 2070 1 6 . 1 1 90 90 LEU N N 90 126.540 126.540 123.287 3.253 18134 2071 1 6 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.417 -0.007 18134 2072 1 6 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.632 0.838 18134 2073 1 6 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.761 -0.321 18134 2074 1 6 . 1 1 90 90 LEU H H 90 7.350 7.350 7.152 0.198 18134 2075 1 6 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.566 -0.176 18134 2076 1 6 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.368 0.912 18134 2077 1 6 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.234 0.276 18134 2078 1 6 . 1 1 92 92 LYS N N 92 122.480 122.480 117.824 4.656 18134 2079 1 6 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.480 -0.160 18134 2080 1 6 . 1 1 92 92 LYS CA C 92 56.280 56.280 54.667 1.613 18134 2081 1 6 . 1 1 92 92 LYS CB C 92 33.350 33.350 33.693 -0.343 18134 2082 1 6 . 1 1 92 92 LYS H H 92 8.330 8.330 8.030 0.300 18134 2083 1 6 . 1 1 93 93 VAL N N 93 122.310 122.310 123.195 -0.885 18134 2084 1 6 . 1 1 93 93 VAL HA H 93 4.070 4.070 3.828 0.242 18134 2085 1 6 . 1 1 93 93 VAL CA C 93 63.130 63.130 63.001 0.129 18134 2086 1 6 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.875 0.355 18134 2087 1 6 . 1 1 93 93 VAL H H 93 8.060 8.060 8.255 -0.195 18134 2088 1 6 . 1 1 94 94 LYS N N 94 127.330 127.330 127.597 -0.267 18134 2089 1 6 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.188 0.102 18134 2090 1 6 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.402 0.128 18134 2091 1 6 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.831 1.639 18134 2092 1 6 . 1 1 94 94 LYS H H 94 8.340 8.340 8.409 -0.069 18134 2093 1 6 . 1 1 95 95 ALA N N 95 127.620 127.620 126.480 1.140 18134 2094 1 6 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.118 0.152 18134 2095 1 6 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.323 0.657 18134 2096 1 6 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.608 -0.258 18134 2097 1 6 . 1 1 95 95 ALA H H 95 8.290 8.290 8.168 0.122 18134 2098 1 6 . 1 1 96 96 LEU N N 96 123.670 123.670 121.369 2.301 18134 2099 1 6 . 1 1 96 96 LEU HA H 96 4.300 4.300 3.834 0.466 18134 2100 1 6 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.531 0.999 18134 2101 1 6 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.120 0.530 18134 2102 1 6 . 1 1 96 96 LEU H H 96 8.240 8.240 8.493 -0.253 18134 2103 1 6 . 1 1 97 97 GLY N N 97 111.540 111.540 107.276 4.264 18134 2104 1 6 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.789 -0.009 18134 2105 1 6 . 1 1 97 97 GLY H H 97 8.400 8.400 8.774 -0.374 18134 2106 1 6 . 1 1 98 98 TYR N N 98 122.570 122.570 123.399 -0.829 18134 2107 1 6 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.726 -0.136 18134 2108 1 6 . 1 1 98 98 TYR CA C 98 58.340 58.340 58.941 -0.601 18134 2109 1 6 . 1 1 98 98 TYR CB C 98 39.150 39.150 40.001 -0.851 18134 2110 1 6 . 1 1 98 98 TYR H H 98 8.060 8.060 8.487 -0.427 18134 2111 1 6 . 1 1 99 99 ASP N N 99 124.880 124.880 117.432 7.448 18134 2112 1 6 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.774 -0.214 18134 2113 1 6 . 1 1 99 99 ASP CA C 99 55.400 55.400 52.638 2.762 18134 2114 1 6 . 1 1 99 99 ASP CB C 99 41.650 41.650 43.163 -1.513 18134 2115 1 6 . 1 1 99 99 ASP H H 99 8.350 8.350 8.045 0.305 18134 2116 1 6 . 1 1 100 100 GLY N N 100 110.340 110.340 106.042 4.298 18134 2117 1 6 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.175 1.435 18134 2118 1 6 . 1 1 100 100 GLY H H 100 7.540 7.540 8.365 -0.825 18134 2119 1 7 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.399 0.111 18134 2120 1 7 . 1 1 22 22 ILE CA C 22 63.400 63.400 60.931 2.469 18134 2121 1 7 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.964 0.186 18134 2122 1 7 . 1 1 23 23 SER N N 23 120.770 120.770 115.747 5.023 18134 2123 1 7 . 1 1 23 23 SER HA H 23 4.170 4.170 4.468 -0.298 18134 2124 1 7 . 1 1 23 23 SER H H 23 8.370 8.370 7.915 0.455 18134 2125 1 7 . 1 1 26 26 ARG N N 26 123.960 123.960 120.007 3.953 18134 2126 1 7 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.134 0.286 18134 2127 1 7 . 1 1 26 26 ARG CA C 26 56.400 56.400 57.985 -1.585 18134 2128 1 7 . 1 1 26 26 ARG CB C 26 30.220 30.220 29.861 0.359 18134 2129 1 7 . 1 1 26 26 ARG H H 26 8.160 8.160 8.605 -0.445 18134 2130 1 7 . 1 1 27 27 THR N N 27 117.400 117.400 112.638 4.762 18134 2131 1 7 . 1 1 27 27 THR HA H 27 4.240 4.240 4.944 -0.704 18134 2132 1 7 . 1 1 27 27 THR CA C 27 61.710 61.710 61.189 0.521 18134 2133 1 7 . 1 1 27 27 THR CB C 27 70.280 70.280 70.566 -0.286 18134 2134 1 7 . 1 1 27 27 THR H H 27 8.150 8.150 8.341 -0.191 18134 2135 1 7 . 1 1 28 28 LEU N N 28 125.240 125.240 119.111 6.129 18134 2136 1 7 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.387 -0.087 18134 2137 1 7 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.795 1.005 18134 2138 1 7 . 1 1 28 28 LEU CB C 28 42.650 42.650 44.252 -1.603 18134 2139 1 7 . 1 1 28 28 LEU H H 28 8.230 8.230 7.798 0.432 18134 2140 1 7 . 1 1 29 29 GLU N N 29 123.420 123.420 120.461 2.959 18134 2141 1 7 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.475 -0.175 18134 2142 1 7 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.566 1.564 18134 2143 1 7 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.741 0.599 18134 2144 1 7 . 1 1 29 29 GLU H H 29 8.360 8.360 8.524 -0.164 18134 2145 1 7 . 1 1 30 30 GLN N N 30 122.830 122.830 120.361 2.469 18134 2146 1 7 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.199 0.341 18134 2147 1 7 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.309 -0.389 18134 2148 1 7 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.065 2.235 18134 2149 1 7 . 1 1 30 30 GLN H H 30 8.090 8.090 7.941 0.149 18134 2150 1 7 . 1 1 31 31 SER N N 31 120.590 120.590 118.485 2.105 18134 2151 1 7 . 1 1 31 31 SER HA H 31 4.700 4.700 4.331 0.369 18134 2152 1 7 . 1 1 31 31 SER CA C 31 57.610 57.610 58.596 -0.986 18134 2153 1 7 . 1 1 31 31 SER CB C 31 65.900 65.900 63.870 2.030 18134 2154 1 7 . 1 1 31 31 SER H H 31 8.760 8.760 8.269 0.491 18134 2155 1 7 . 1 1 32 32 VAL N N 32 124.160 124.160 122.438 1.722 18134 2156 1 7 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.112 -0.342 18134 2157 1 7 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.292 0.338 18134 2158 1 7 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.276 0.994 18134 2159 1 7 . 1 1 32 32 VAL H H 32 9.030 9.030 9.026 0.004 18134 2160 1 7 . 1 1 33 33 GLY N N 33 110.070 110.070 107.057 3.013 18134 2161 1 7 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.790 0.410 18134 2162 1 7 . 1 1 33 33 GLY H H 33 9.020 9.020 8.752 0.268 18134 2163 1 7 . 1 1 34 34 GLU N N 34 124.850 124.850 123.427 1.423 18134 2164 1 7 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.079 0.001 18134 2165 1 7 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.641 0.779 18134 2166 1 7 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.881 1.460 18134 2167 1 7 . 1 1 34 34 GLU H H 34 7.960 7.960 8.208 -0.248 18134 2168 1 7 . 1 1 35 35 TRP N N 35 125.670 125.670 121.017 4.653 18134 2169 1 7 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.311 -0.071 18134 2170 1 7 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.446 1.264 18134 2171 1 7 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.197 -0.917 18134 2172 1 7 . 1 1 35 35 TRP H H 35 8.580 8.580 8.324 0.256 18134 2173 1 7 . 1 1 36 36 LEU N N 36 121.440 121.440 117.466 3.974 18134 2174 1 7 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.398 -0.048 18134 2175 1 7 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.723 -0.353 18134 2176 1 7 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.303 0.617 18134 2177 1 7 . 1 1 36 36 LEU H H 36 9.130 9.130 8.357 0.773 18134 2178 1 7 . 1 1 37 37 GLU N N 37 122.290 122.290 119.923 2.367 18134 2179 1 7 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.001 0.009 18134 2180 1 7 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.388 -0.327 18134 2181 1 7 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.229 -0.169 18134 2182 1 7 . 1 1 37 37 GLU H H 37 8.250 8.250 8.466 -0.216 18134 2183 1 7 . 1 1 38 38 SER N N 38 118.850 118.850 112.632 6.218 18134 2184 1 7 . 1 1 38 38 SER HA H 38 4.280 4.280 4.282 -0.002 18134 2185 1 7 . 1 1 38 38 SER CA C 38 61.820 61.820 60.657 1.163 18134 2186 1 7 . 1 1 38 38 SER CB C 38 63.650 63.650 63.585 0.065 18134 2187 1 7 . 1 1 38 38 SER H H 38 7.850 7.850 7.811 0.039 18134 2188 1 7 . 1 1 39 39 ILE N N 39 115.190 115.190 112.168 3.022 18134 2189 1 7 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.379 0.131 18134 2190 1 7 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.812 0.178 18134 2191 1 7 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.114 -0.454 18134 2192 1 7 . 1 1 39 39 ILE H H 39 6.940 6.940 7.159 -0.219 18134 2193 1 7 . 1 1 40 40 GLY N N 40 112.250 112.250 108.339 3.911 18134 2194 1 7 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.533 1.647 18134 2195 1 7 . 1 1 40 40 GLY H H 40 7.630 7.630 7.972 -0.342 18134 2196 1 7 . 1 1 41 41 LEU N N 41 121.470 121.470 120.283 1.187 18134 2197 1 7 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.524 0.246 18134 2198 1 7 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.250 0.380 18134 2199 1 7 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.353 0.777 18134 2200 1 7 . 1 1 41 41 LEU H H 41 7.810 7.810 8.290 -0.480 18134 2201 1 7 . 1 1 42 42 GLN N N 42 122.310 122.310 119.963 2.347 18134 2202 1 7 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.864 0.026 18134 2203 1 7 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.529 -0.118 18134 2204 1 7 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.276 -0.716 18134 2205 1 7 . 1 1 42 42 GLN H H 42 9.070 9.070 7.951 1.119 18134 2206 1 7 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.059 0.181 18134 2207 1 7 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.278 -0.278 18134 2208 1 7 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.831 -0.511 18134 2209 1 7 . 1 1 44 44 TYR N N 44 121.180 121.180 120.592 0.588 18134 2210 1 7 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.423 0.367 18134 2211 1 7 . 1 1 44 44 TYR CA C 44 58.580 58.580 58.644 -0.064 18134 2212 1 7 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.262 0.038 18134 2213 1 7 . 1 1 44 44 TYR H H 44 7.640 7.640 8.148 -0.508 18134 2214 1 7 . 1 1 45 45 GLU N N 45 124.810 124.810 121.083 3.727 18134 2215 1 7 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.838 -0.228 18134 2216 1 7 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.042 1.548 18134 2217 1 7 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.221 0.869 18134 2218 1 7 . 1 1 45 45 GLU H H 45 7.850 7.850 7.735 0.115 18134 2219 1 7 . 1 1 46 46 SER N N 46 114.660 114.660 114.849 -0.189 18134 2220 1 7 . 1 1 46 46 SER HA H 46 4.000 4.000 4.163 -0.163 18134 2221 1 7 . 1 1 46 46 SER CA C 46 62.920 62.920 61.944 0.976 18134 2222 1 7 . 1 1 46 46 SER H H 46 8.790 8.790 8.287 0.503 18134 2223 1 7 . 1 1 47 47 LYS N N 47 122.810 122.810 122.068 0.742 18134 2224 1 7 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.145 -0.025 18134 2225 1 7 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.891 0.669 18134 2226 1 7 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.352 0.598 18134 2227 1 7 . 1 1 47 47 LYS H H 47 7.810 7.810 7.414 0.396 18134 2228 1 7 . 1 1 48 48 LEU N N 48 121.420 121.420 119.761 1.659 18134 2229 1 7 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.327 -0.117 18134 2230 1 7 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.682 2.738 18134 2231 1 7 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.006 -1.656 18134 2232 1 7 . 1 1 48 48 LEU H H 48 8.010 8.010 8.162 -0.152 18134 2233 1 7 . 1 1 49 49 LEU N N 49 121.260 121.260 120.644 0.616 18134 2234 1 7 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.463 -0.573 18134 2235 1 7 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.643 1.417 18134 2236 1 7 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.767 -0.847 18134 2237 1 7 . 1 1 49 49 LEU H H 49 8.520 8.520 7.656 0.864 18134 2238 1 7 . 1 1 50 50 LEU N N 50 121.260 121.260 120.563 0.697 18134 2239 1 7 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.184 0.036 18134 2240 1 7 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.902 0.108 18134 2241 1 7 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.308 0.852 18134 2242 1 7 . 1 1 50 50 LEU H H 50 8.530 8.530 8.650 -0.120 18134 2243 1 7 . 1 1 51 51 ASN N N 51 116.660 116.660 116.101 0.559 18134 2244 1 7 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.855 -0.015 18134 2245 1 7 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.162 0.948 18134 2246 1 7 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.991 1.969 18134 2247 1 7 . 1 1 51 51 ASN H H 51 7.280 7.280 7.602 -0.322 18134 2248 1 7 . 1 1 52 52 GLY N N 52 107.530 107.530 107.174 0.356 18134 2249 1 7 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.295 -0.165 18134 2250 1 7 . 1 1 52 52 GLY H H 52 7.720 7.720 7.761 -0.041 18134 2251 1 7 . 1 1 53 53 PHE N N 53 123.430 123.430 118.624 4.806 18134 2252 1 7 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.684 0.116 18134 2253 1 7 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.851 -0.201 18134 2254 1 7 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.273 -2.172 18134 2255 1 7 . 1 1 53 53 PHE H H 53 8.210 8.210 7.538 0.672 18134 2256 1 7 . 1 1 54 54 ASP N N 54 117.170 117.170 120.491 -3.321 18134 2257 1 7 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.546 0.024 18134 2258 1 7 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.691 -1.701 18134 2259 1 7 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.751 1.049 18134 2260 1 7 . 1 1 54 54 ASP H H 54 7.720 7.720 8.372 -0.652 18134 2261 1 7 . 1 1 55 55 ASP N N 55 121.390 121.390 120.946 0.444 18134 2262 1 7 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.648 0.012 18134 2263 1 7 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.474 -1.204 18134 2264 1 7 . 1 1 55 55 ASP H H 55 7.830 7.830 8.058 -0.228 18134 2265 1 7 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.791 -0.381 18134 2266 1 7 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.815 1.245 18134 2267 1 7 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.683 0.097 18134 2268 1 7 . 1 1 56 56 VAL H H 56 8.800 8.800 8.200 0.600 18134 2269 1 7 . 1 1 57 57 HIS N N 57 121.390 121.390 116.416 4.974 18134 2270 1 7 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.488 -0.288 18134 2271 1 7 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.811 0.319 18134 2272 1 7 . 1 1 57 57 HIS H H 57 8.390 8.390 8.251 0.140 18134 2273 1 7 . 1 1 58 58 PHE N N 58 121.980 121.980 117.319 4.661 18134 2274 1 7 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.618 -0.258 18134 2275 1 7 . 1 1 58 58 PHE CA C 58 60.150 60.150 59.171 0.979 18134 2276 1 7 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.117 -1.247 18134 2277 1 7 . 1 1 58 58 PHE H H 58 7.930 7.930 7.874 0.056 18134 2278 1 7 . 1 1 59 59 LEU N N 59 121.800 121.800 119.575 2.225 18134 2279 1 7 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.309 -0.269 18134 2280 1 7 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.706 0.024 18134 2281 1 7 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.342 0.578 18134 2282 1 7 . 1 1 59 59 LEU H H 59 7.730 7.730 7.849 -0.119 18134 2283 1 7 . 1 1 60 60 GLY N N 60 106.180 106.180 102.385 3.795 18134 2284 1 7 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.855 1.245 18134 2285 1 7 . 1 1 60 60 GLY H H 60 7.800 7.800 8.337 -0.537 18134 2286 1 7 . 1 1 61 61 SER N N 61 116.150 116.150 115.794 0.356 18134 2287 1 7 . 1 1 61 61 SER HA H 61 4.770 4.770 4.502 0.268 18134 2288 1 7 . 1 1 61 61 SER CA C 61 59.370 59.370 58.995 0.375 18134 2289 1 7 . 1 1 61 61 SER CB C 61 64.450 64.450 64.174 0.276 18134 2290 1 7 . 1 1 61 61 SER H H 61 7.610 7.610 8.030 -0.420 18134 2291 1 7 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.790 -0.120 18134 2292 1 7 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.784 -0.914 18134 2293 1 7 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.483 -0.334 18134 2294 1 7 . 1 1 63 63 VAL N N 63 120.030 120.030 121.543 -1.513 18134 2295 1 7 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.912 0.178 18134 2296 1 7 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.287 -1.607 18134 2297 1 7 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.208 0.662 18134 2298 1 7 . 1 1 63 63 VAL H H 63 7.770 7.770 8.541 -0.771 18134 2299 1 7 . 1 1 64 64 MET N N 64 125.400 125.400 116.674 8.726 18134 2300 1 7 . 1 1 64 64 MET HA H 64 4.460 4.460 4.070 0.390 18134 2301 1 7 . 1 1 64 64 MET CA C 64 55.610 55.610 56.092 -0.482 18134 2302 1 7 . 1 1 64 64 MET CB C 64 34.400 34.400 30.449 3.951 18134 2303 1 7 . 1 1 64 64 MET H H 64 7.900 7.900 7.942 -0.042 18134 2304 1 7 . 1 1 65 65 GLU N N 65 124.210 124.210 119.049 5.161 18134 2305 1 7 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.578 0.102 18134 2306 1 7 . 1 1 65 65 GLU CA C 65 54.720 54.720 54.739 -0.019 18134 2307 1 7 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.761 0.239 18134 2308 1 7 . 1 1 65 65 GLU H H 65 8.810 8.810 7.888 0.922 18134 2309 1 7 . 1 1 66 66 GLU N N 66 125.500 125.500 121.162 4.338 18134 2310 1 7 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.814 -0.154 18134 2311 1 7 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.762 1.858 18134 2312 1 7 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.400 -0.150 18134 2313 1 7 . 1 1 66 66 GLU H H 66 9.290 9.290 8.887 0.403 18134 2314 1 7 . 1 1 67 67 GLN N N 67 119.780 119.780 119.270 0.510 18134 2315 1 7 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.152 -0.412 18134 2316 1 7 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.078 -0.018 18134 2317 1 7 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.257 0.823 18134 2318 1 7 . 1 1 67 67 GLN H H 67 9.090 9.090 8.390 0.700 18134 2319 1 7 . 1 1 68 68 ASP N N 68 119.450 119.450 119.708 -0.258 18134 2320 1 7 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.426 0.034 18134 2321 1 7 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.109 0.691 18134 2322 1 7 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.404 0.986 18134 2323 1 7 . 1 1 68 68 ASP H H 68 7.400 7.400 8.337 -0.937 18134 2324 1 7 . 1 1 69 69 LEU N N 69 116.950 116.950 118.776 -1.826 18134 2325 1 7 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.929 0.211 18134 2326 1 7 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.366 -0.836 18134 2327 1 7 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.757 -0.197 18134 2328 1 7 . 1 1 69 69 LEU H H 69 7.180 7.180 7.840 -0.660 18134 2329 1 7 . 1 1 70 70 ARG N N 70 123.140 123.140 119.429 3.711 18134 2330 1 7 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.025 -0.105 18134 2331 1 7 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.962 0.818 18134 2332 1 7 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.058 0.162 18134 2333 1 7 . 1 1 70 70 ARG H H 70 7.990 7.990 7.483 0.507 18134 2334 1 7 . 1 1 71 71 ASP N N 71 121.960 121.960 118.427 3.533 18134 2335 1 7 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.433 0.017 18134 2336 1 7 . 1 1 71 71 ASP CA C 71 57.360 57.360 57.201 0.159 18134 2337 1 7 . 1 1 71 71 ASP CB C 71 40.550 40.550 41.014 -0.464 18134 2338 1 7 . 1 1 71 71 ASP H H 71 8.460 8.460 8.348 0.112 18134 2339 1 7 . 1 1 72 72 ILE N N 72 112.900 112.900 111.113 1.787 18134 2340 1 7 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.342 0.148 18134 2341 1 7 . 1 1 72 72 ILE CA C 72 61.960 61.960 61.578 0.382 18134 2342 1 7 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.296 0.004 18134 2343 1 7 . 1 1 72 72 ILE H H 72 7.180 7.180 7.486 -0.306 18134 2344 1 7 . 1 1 73 73 GLY N N 73 108.400 108.400 107.968 0.432 18134 2345 1 7 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.819 1.331 18134 2346 1 7 . 1 1 73 73 GLY H H 73 7.650 7.650 7.565 0.085 18134 2347 1 7 . 1 1 74 74 ILE N N 74 123.110 123.110 124.765 -1.655 18134 2348 1 7 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.297 0.833 18134 2349 1 7 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.385 -1.155 18134 2350 1 7 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.317 -1.877 18134 2351 1 7 . 1 1 74 74 ILE H H 74 7.860 7.860 7.822 0.038 18134 2352 1 7 . 1 1 75 75 SER HA H 75 3.820 3.820 4.583 -0.763 18134 2353 1 7 . 1 1 75 75 SER CA C 75 59.540 59.540 58.142 1.398 18134 2354 1 7 . 1 1 75 75 SER CB C 75 63.630 63.630 64.718 -1.088 18134 2355 1 7 . 1 1 76 76 ASP N N 76 127.640 127.640 123.007 4.633 18134 2356 1 7 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.789 0.011 18134 2357 1 7 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.849 0.451 18134 2358 1 7 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.105 -0.065 18134 2359 1 7 . 1 1 76 76 ASP H H 76 8.000 8.000 7.760 0.240 18134 2360 1 7 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.282 -0.292 18134 2361 1 7 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.264 0.316 18134 2362 1 7 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.136 2.304 18134 2363 1 7 . 1 1 78 78 GLN N N 78 120.390 120.390 116.046 4.344 18134 2364 1 7 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.156 -0.006 18134 2365 1 7 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.038 1.142 18134 2366 1 7 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.281 -0.481 18134 2367 1 7 . 1 1 78 78 GLN H H 78 8.200 8.200 8.830 -0.630 18134 2368 1 7 . 1 1 79 79 HIS N N 79 123.160 123.160 114.940 8.220 18134 2369 1 7 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.613 -0.213 18134 2370 1 7 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.336 1.154 18134 2371 1 7 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.237 0.943 18134 2372 1 7 . 1 1 79 79 HIS H H 79 8.060 8.060 7.884 0.176 18134 2373 1 7 . 1 1 80 80 ARG N N 80 118.250 118.250 120.670 -2.420 18134 2374 1 7 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.162 -0.402 18134 2375 1 7 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.241 2.599 18134 2376 1 7 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.605 1.175 18134 2377 1 7 . 1 1 80 80 ARG H H 80 8.060 8.060 7.949 0.111 18134 2378 1 7 . 1 1 81 81 ARG N N 81 118.850 118.850 119.272 -0.422 18134 2379 1 7 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.148 -0.218 18134 2380 1 7 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.750 1.520 18134 2381 1 7 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.761 0.459 18134 2382 1 7 . 1 1 81 81 ARG H H 81 7.700 7.700 7.960 -0.260 18134 2383 1 7 . 1 1 82 82 LYS N N 82 121.700 121.700 119.829 1.871 18134 2384 1 7 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.092 -0.042 18134 2385 1 7 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.633 0.028 18134 2386 1 7 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.854 1.256 18134 2387 1 7 . 1 1 82 82 LYS H H 82 8.030 8.030 7.952 0.078 18134 2388 1 7 . 1 1 83 83 LEU N N 83 122.310 122.310 119.044 3.266 18134 2389 1 7 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.083 -0.273 18134 2390 1 7 . 1 1 83 83 LEU CA C 83 58.460 58.460 56.972 1.488 18134 2391 1 7 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.300 1.350 18134 2392 1 7 . 1 1 83 83 LEU H H 83 8.130 8.130 7.542 0.588 18134 2393 1 7 . 1 1 84 84 LEU N N 84 119.760 119.760 118.116 1.644 18134 2394 1 7 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.442 -0.472 18134 2395 1 7 . 1 1 84 84 LEU CA C 84 58.340 58.340 55.996 2.344 18134 2396 1 7 . 1 1 84 84 LEU CB C 84 42.040 42.040 42.297 -0.257 18134 2397 1 7 . 1 1 84 84 LEU H H 84 8.030 8.030 7.465 0.565 18134 2398 1 7 . 1 1 85 85 GLN N N 85 119.520 119.520 120.359 -0.839 18134 2399 1 7 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.183 -0.183 18134 2400 1 7 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.088 -0.088 18134 2401 1 7 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.812 0.077 18134 2402 1 7 . 1 1 85 85 GLN H H 85 8.340 8.340 8.340 0.000 18134 2403 1 7 . 1 1 86 86 ALA N N 86 124.280 124.280 120.846 3.434 18134 2404 1 7 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.443 -0.153 18134 2405 1 7 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.251 0.950 18134 2406 1 7 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.909 0.441 18134 2407 1 7 . 1 1 86 86 ALA H H 86 8.320 8.320 7.818 0.502 18134 2408 1 7 . 1 1 87 87 ALA N N 87 124.840 124.840 120.643 4.197 18134 2409 1 7 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.179 -0.129 18134 2410 1 7 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.222 1.097 18134 2411 1 7 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.062 -0.912 18134 2412 1 7 . 1 1 87 87 ALA H H 87 8.770 8.770 8.030 0.740 18134 2413 1 7 . 1 1 88 88 ARG N N 88 118.020 118.020 117.454 0.566 18134 2414 1 7 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.144 0.096 18134 2415 1 7 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.194 -0.104 18134 2416 1 7 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.472 -0.032 18134 2417 1 7 . 1 1 88 88 ARG H H 88 8.010 8.010 7.764 0.246 18134 2418 1 7 . 1 1 89 89 SER N N 89 115.060 115.060 113.321 1.739 18134 2419 1 7 . 1 1 89 89 SER HA H 89 4.530 4.530 4.328 0.202 18134 2420 1 7 . 1 1 89 89 SER CA C 89 58.630 58.630 59.111 -0.481 18134 2421 1 7 . 1 1 89 89 SER CB C 89 64.370 64.370 63.393 0.977 18134 2422 1 7 . 1 1 89 89 SER H H 89 7.620 7.620 7.797 -0.177 18134 2423 1 7 . 1 1 90 90 LEU N N 90 126.540 126.540 124.742 1.798 18134 2424 1 7 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.581 -0.171 18134 2425 1 7 . 1 1 90 90 LEU CA C 90 54.470 54.470 52.743 1.727 18134 2426 1 7 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.919 -0.479 18134 2427 1 7 . 1 1 90 90 LEU H H 90 7.350 7.350 7.280 0.070 18134 2428 1 7 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.511 -0.121 18134 2429 1 7 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.326 0.954 18134 2430 1 7 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.295 0.215 18134 2431 1 7 . 1 1 92 92 LYS N N 92 122.480 122.480 119.760 2.720 18134 2432 1 7 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.252 0.068 18134 2433 1 7 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.858 0.422 18134 2434 1 7 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.856 0.494 18134 2435 1 7 . 1 1 92 92 LYS H H 92 8.330 8.330 8.215 0.115 18134 2436 1 7 . 1 1 93 93 VAL N N 93 122.310 122.310 123.473 -1.163 18134 2437 1 7 . 1 1 93 93 VAL HA H 93 4.070 4.070 3.629 0.441 18134 2438 1 7 . 1 1 93 93 VAL CA C 93 63.130 63.130 62.344 0.785 18134 2439 1 7 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.642 0.588 18134 2440 1 7 . 1 1 93 93 VAL H H 93 8.060 8.060 7.793 0.267 18134 2441 1 7 . 1 1 94 94 LYS N N 94 127.330 127.330 127.224 0.106 18134 2442 1 7 . 1 1 94 94 LYS HA H 94 4.290 4.290 3.920 0.370 18134 2443 1 7 . 1 1 94 94 LYS CA C 94 56.530 56.530 58.565 -2.035 18134 2444 1 7 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.494 0.976 18134 2445 1 7 . 1 1 94 94 LYS H H 94 8.340 8.340 8.649 -0.309 18134 2446 1 7 . 1 1 95 95 ALA N N 95 127.620 127.620 121.256 6.364 18134 2447 1 7 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.145 0.125 18134 2448 1 7 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.122 0.858 18134 2449 1 7 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.063 0.287 18134 2450 1 7 . 1 1 95 95 ALA H H 95 8.290 8.290 7.945 0.345 18134 2451 1 7 . 1 1 96 96 LEU N N 96 123.670 123.670 123.487 0.183 18134 2452 1 7 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.015 0.285 18134 2453 1 7 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.979 0.551 18134 2454 1 7 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.261 0.389 18134 2455 1 7 . 1 1 96 96 LEU H H 96 8.240 8.240 8.274 -0.034 18134 2456 1 7 . 1 1 97 97 GLY N N 97 111.540 111.540 108.746 2.794 18134 2457 1 7 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.831 0.949 18134 2458 1 7 . 1 1 97 97 GLY H H 97 8.400 8.400 8.046 0.354 18134 2459 1 7 . 1 1 98 98 TYR N N 98 122.570 122.570 123.485 -0.915 18134 2460 1 7 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.468 0.122 18134 2461 1 7 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.992 0.348 18134 2462 1 7 . 1 1 98 98 TYR CB C 98 39.150 39.150 37.604 1.546 18134 2463 1 7 . 1 1 98 98 TYR H H 98 8.060 8.060 8.789 -0.729 18134 2464 1 7 . 1 1 99 99 ASP N N 99 124.880 124.880 125.850 -0.970 18134 2465 1 7 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.751 -0.191 18134 2466 1 7 . 1 1 99 99 ASP CA C 99 55.400 55.400 52.835 2.565 18134 2467 1 7 . 1 1 99 99 ASP CB C 99 41.650 41.650 43.279 -1.629 18134 2468 1 7 . 1 1 99 99 ASP H H 99 8.350 8.350 7.828 0.522 18134 2469 1 7 . 1 1 100 100 GLY N N 100 110.340 110.340 109.114 1.226 18134 2470 1 7 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.862 0.748 18134 2471 1 7 . 1 1 100 100 GLY H H 100 7.540 7.540 8.579 -1.039 18134 2472 1 8 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.408 0.102 18134 2473 1 8 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.011 2.389 18134 2474 1 8 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.168 0.982 18134 2475 1 8 . 1 1 23 23 SER N N 23 120.770 120.770 116.973 3.797 18134 2476 1 8 . 1 1 23 23 SER HA H 23 4.170 4.170 4.255 -0.085 18134 2477 1 8 . 1 1 23 23 SER H H 23 8.370 8.370 8.274 0.096 18134 2478 1 8 . 1 1 26 26 ARG N N 26 123.960 123.960 119.339 4.621 18134 2479 1 8 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.367 0.053 18134 2480 1 8 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.398 0.002 18134 2481 1 8 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.404 -0.184 18134 2482 1 8 . 1 1 26 26 ARG H H 26 8.160 8.160 8.063 0.097 18134 2483 1 8 . 1 1 27 27 THR N N 27 117.400 117.400 112.288 5.112 18134 2484 1 8 . 1 1 27 27 THR HA H 27 4.240 4.240 3.925 0.315 18134 2485 1 8 . 1 1 27 27 THR CA C 27 61.710 61.710 62.466 -0.756 18134 2486 1 8 . 1 1 27 27 THR CB C 27 70.280 70.280 68.680 1.600 18134 2487 1 8 . 1 1 27 27 THR H H 27 8.150 8.150 7.695 0.455 18134 2488 1 8 . 1 1 28 28 LEU N N 28 125.240 125.240 123.391 1.849 18134 2489 1 8 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.272 0.028 18134 2490 1 8 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.756 0.044 18134 2491 1 8 . 1 1 28 28 LEU CB C 28 42.650 42.650 39.644 3.006 18134 2492 1 8 . 1 1 28 28 LEU H H 28 8.230 8.230 8.485 -0.255 18134 2493 1 8 . 1 1 29 29 GLU N N 29 123.420 123.420 120.862 2.558 18134 2494 1 8 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.416 -0.116 18134 2495 1 8 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.713 0.417 18134 2496 1 8 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.370 -0.030 18134 2497 1 8 . 1 1 29 29 GLU H H 29 8.360 8.360 8.379 -0.019 18134 2498 1 8 . 1 1 30 30 GLN N N 30 122.830 122.830 117.313 5.517 18134 2499 1 8 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.741 -0.201 18134 2500 1 8 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.673 1.247 18134 2501 1 8 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.820 0.480 18134 2502 1 8 . 1 1 30 30 GLN H H 30 8.090 8.090 7.896 0.194 18134 2503 1 8 . 1 1 31 31 SER N N 31 120.590 120.590 115.860 4.730 18134 2504 1 8 . 1 1 31 31 SER HA H 31 4.700 4.700 4.754 -0.054 18134 2505 1 8 . 1 1 31 31 SER CA C 31 57.610 57.610 56.071 1.539 18134 2506 1 8 . 1 1 31 31 SER CB C 31 65.900 65.900 65.155 0.745 18134 2507 1 8 . 1 1 31 31 SER H H 31 8.760 8.760 8.479 0.281 18134 2508 1 8 . 1 1 32 32 VAL N N 32 124.160 124.160 122.272 1.888 18134 2509 1 8 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.049 -0.279 18134 2510 1 8 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.124 0.506 18134 2511 1 8 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.897 0.373 18134 2512 1 8 . 1 1 32 32 VAL H H 32 9.030 9.030 8.941 0.089 18134 2513 1 8 . 1 1 33 33 GLY N N 33 110.070 110.070 107.206 2.864 18134 2514 1 8 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.912 0.288 18134 2515 1 8 . 1 1 33 33 GLY H H 33 9.020 9.020 8.103 0.917 18134 2516 1 8 . 1 1 34 34 GLU N N 34 124.850 124.850 123.398 1.452 18134 2517 1 8 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.207 -0.127 18134 2518 1 8 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.641 0.779 18134 2519 1 8 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.863 1.477 18134 2520 1 8 . 1 1 34 34 GLU H H 34 7.960 7.960 8.240 -0.280 18134 2521 1 8 . 1 1 35 35 TRP N N 35 125.670 125.670 121.521 4.149 18134 2522 1 8 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.551 -0.311 18134 2523 1 8 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.156 1.554 18134 2524 1 8 . 1 1 35 35 TRP CB C 35 28.280 28.280 28.951 -0.670 18134 2525 1 8 . 1 1 35 35 TRP H H 35 8.580 8.580 8.277 0.303 18134 2526 1 8 . 1 1 36 36 LEU N N 36 121.440 121.440 117.324 4.116 18134 2527 1 8 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.371 -0.021 18134 2528 1 8 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.637 -0.267 18134 2529 1 8 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.259 0.661 18134 2530 1 8 . 1 1 36 36 LEU H H 36 9.130 9.130 8.402 0.728 18134 2531 1 8 . 1 1 37 37 GLU N N 37 122.290 122.290 119.984 2.306 18134 2532 1 8 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.977 0.033 18134 2533 1 8 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.190 -0.129 18134 2534 1 8 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.346 -0.286 18134 2535 1 8 . 1 1 37 37 GLU H H 37 8.250 8.250 8.493 -0.243 18134 2536 1 8 . 1 1 38 38 SER N N 38 118.850 118.850 112.565 6.285 18134 2537 1 8 . 1 1 38 38 SER HA H 38 4.280 4.280 4.264 0.016 18134 2538 1 8 . 1 1 38 38 SER CA C 38 61.820 61.820 61.073 0.747 18134 2539 1 8 . 1 1 38 38 SER CB C 38 63.650 63.650 63.558 0.092 18134 2540 1 8 . 1 1 38 38 SER H H 38 7.850 7.850 7.787 0.063 18134 2541 1 8 . 1 1 39 39 ILE N N 39 115.190 115.190 112.084 3.106 18134 2542 1 8 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.413 0.097 18134 2543 1 8 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.974 0.016 18134 2544 1 8 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.122 -0.462 18134 2545 1 8 . 1 1 39 39 ILE H H 39 6.940 6.940 7.093 -0.153 18134 2546 1 8 . 1 1 40 40 GLY N N 40 112.250 112.250 108.534 3.716 18134 2547 1 8 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.545 1.635 18134 2548 1 8 . 1 1 40 40 GLY H H 40 7.630 7.630 8.059 -0.429 18134 2549 1 8 . 1 1 41 41 LEU N N 41 121.470 121.470 120.100 1.370 18134 2550 1 8 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.523 0.247 18134 2551 1 8 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.368 0.262 18134 2552 1 8 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.467 0.663 18134 2553 1 8 . 1 1 41 41 LEU H H 41 7.810 7.810 8.263 -0.453 18134 2554 1 8 . 1 1 42 42 GLN N N 42 122.310 122.310 120.014 2.296 18134 2555 1 8 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.854 0.036 18134 2556 1 8 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.505 -0.095 18134 2557 1 8 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.268 -0.709 18134 2558 1 8 . 1 1 42 42 GLN H H 42 9.070 9.070 7.906 1.164 18134 2559 1 8 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.059 0.181 18134 2560 1 8 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.401 -0.401 18134 2561 1 8 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.715 -0.395 18134 2562 1 8 . 1 1 44 44 TYR N N 44 121.180 121.180 120.249 0.931 18134 2563 1 8 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.561 0.229 18134 2564 1 8 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.214 2.366 18134 2565 1 8 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.906 0.394 18134 2566 1 8 . 1 1 44 44 TYR H H 44 7.640 7.640 7.977 -0.337 18134 2567 1 8 . 1 1 45 45 GLU N N 45 124.810 124.810 121.220 3.590 18134 2568 1 8 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.844 -0.234 18134 2569 1 8 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.847 1.743 18134 2570 1 8 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.239 0.851 18134 2571 1 8 . 1 1 45 45 GLU H H 45 7.850 7.850 7.666 0.184 18134 2572 1 8 . 1 1 46 46 SER N N 46 114.660 114.660 114.223 0.437 18134 2573 1 8 . 1 1 46 46 SER HA H 46 4.000 4.000 4.197 -0.197 18134 2574 1 8 . 1 1 46 46 SER CA C 46 62.920 62.920 61.412 1.508 18134 2575 1 8 . 1 1 46 46 SER H H 46 8.790 8.790 8.332 0.458 18134 2576 1 8 . 1 1 47 47 LYS N N 47 122.810 122.810 120.950 1.860 18134 2577 1 8 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.171 -0.051 18134 2578 1 8 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.732 0.828 18134 2579 1 8 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.441 0.508 18134 2580 1 8 . 1 1 47 47 LYS H H 47 7.810 7.810 7.686 0.124 18134 2581 1 8 . 1 1 48 48 LEU N N 48 121.420 121.420 118.537 2.883 18134 2582 1 8 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.333 -0.123 18134 2583 1 8 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.199 3.221 18134 2584 1 8 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.980 -1.630 18134 2585 1 8 . 1 1 48 48 LEU H H 48 8.010 8.010 7.673 0.337 18134 2586 1 8 . 1 1 49 49 LEU N N 49 121.260 121.260 120.379 0.881 18134 2587 1 8 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.409 -0.519 18134 2588 1 8 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.307 1.753 18134 2589 1 8 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.518 -0.598 18134 2590 1 8 . 1 1 49 49 LEU H H 49 8.520 8.520 7.264 1.256 18134 2591 1 8 . 1 1 50 50 LEU N N 50 121.260 121.260 120.984 0.276 18134 2592 1 8 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.055 0.165 18134 2593 1 8 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.547 -0.537 18134 2594 1 8 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.990 0.170 18134 2595 1 8 . 1 1 50 50 LEU H H 50 8.530 8.530 8.532 -0.002 18134 2596 1 8 . 1 1 51 51 ASN N N 51 116.660 116.660 115.683 0.977 18134 2597 1 8 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.778 0.062 18134 2598 1 8 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.083 1.028 18134 2599 1 8 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.989 1.972 18134 2600 1 8 . 1 1 51 51 ASN H H 51 7.280 7.280 7.696 -0.416 18134 2601 1 8 . 1 1 52 52 GLY N N 52 107.530 107.530 107.627 -0.097 18134 2602 1 8 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.402 -0.272 18134 2603 1 8 . 1 1 52 52 GLY H H 52 7.720 7.720 7.724 -0.004 18134 2604 1 8 . 1 1 53 53 PHE N N 53 123.430 123.430 118.625 4.805 18134 2605 1 8 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.590 0.210 18134 2606 1 8 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.128 0.522 18134 2607 1 8 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.178 -1.079 18134 2608 1 8 . 1 1 53 53 PHE H H 53 8.210 8.210 7.540 0.670 18134 2609 1 8 . 1 1 54 54 ASP N N 54 117.170 117.170 118.334 -1.164 18134 2610 1 8 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.504 0.066 18134 2611 1 8 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.443 -1.452 18134 2612 1 8 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.965 0.835 18134 2613 1 8 . 1 1 54 54 ASP H H 54 7.720 7.720 8.382 -0.662 18134 2614 1 8 . 1 1 55 55 ASP N N 55 121.390 121.390 121.660 -0.270 18134 2615 1 8 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.587 0.073 18134 2616 1 8 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.290 -1.020 18134 2617 1 8 . 1 1 55 55 ASP H H 55 7.830 7.830 8.102 -0.272 18134 2618 1 8 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.791 -0.381 18134 2619 1 8 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.300 0.760 18134 2620 1 8 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.913 -0.133 18134 2621 1 8 . 1 1 56 56 VAL H H 56 8.800 8.800 8.336 0.464 18134 2622 1 8 . 1 1 57 57 HIS N N 57 121.390 121.390 117.443 3.947 18134 2623 1 8 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.555 -0.355 18134 2624 1 8 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.133 -0.003 18134 2625 1 8 . 1 1 57 57 HIS H H 57 8.390 8.390 8.521 -0.131 18134 2626 1 8 . 1 1 58 58 PHE N N 58 121.980 121.980 117.556 4.424 18134 2627 1 8 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.672 -0.312 18134 2628 1 8 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.411 1.739 18134 2629 1 8 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.534 -0.664 18134 2630 1 8 . 1 1 58 58 PHE H H 58 7.930 7.930 7.919 0.011 18134 2631 1 8 . 1 1 59 59 LEU N N 59 121.800 121.800 119.710 2.090 18134 2632 1 8 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.231 -0.191 18134 2633 1 8 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.214 0.516 18134 2634 1 8 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.433 0.487 18134 2635 1 8 . 1 1 59 59 LEU H H 59 7.730 7.730 7.523 0.207 18134 2636 1 8 . 1 1 60 60 GLY N N 60 106.180 106.180 101.773 4.407 18134 2637 1 8 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.597 1.503 18134 2638 1 8 . 1 1 60 60 GLY H H 60 7.800 7.800 8.197 -0.397 18134 2639 1 8 . 1 1 61 61 SER N N 61 116.150 116.150 115.177 0.973 18134 2640 1 8 . 1 1 61 61 SER HA H 61 4.770 4.770 4.438 0.332 18134 2641 1 8 . 1 1 61 61 SER CA C 61 59.370 59.370 59.162 0.208 18134 2642 1 8 . 1 1 61 61 SER CB C 61 64.450 64.450 63.848 0.602 18134 2643 1 8 . 1 1 61 61 SER H H 61 7.610 7.610 7.637 -0.027 18134 2644 1 8 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.741 -0.071 18134 2645 1 8 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.674 -0.804 18134 2646 1 8 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.577 -0.427 18134 2647 1 8 . 1 1 63 63 VAL N N 63 120.030 120.030 121.944 -1.914 18134 2648 1 8 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.933 0.157 18134 2649 1 8 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.004 -1.323 18134 2650 1 8 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.391 0.479 18134 2651 1 8 . 1 1 63 63 VAL H H 63 7.770 7.770 8.547 -0.777 18134 2652 1 8 . 1 1 64 64 MET N N 64 125.400 125.400 117.821 7.579 18134 2653 1 8 . 1 1 64 64 MET HA H 64 4.460 4.460 4.220 0.240 18134 2654 1 8 . 1 1 64 64 MET CA C 64 55.610 55.610 55.928 -0.318 18134 2655 1 8 . 1 1 64 64 MET CB C 64 34.400 34.400 31.194 3.206 18134 2656 1 8 . 1 1 64 64 MET H H 64 7.900 7.900 8.206 -0.306 18134 2657 1 8 . 1 1 65 65 GLU N N 65 124.210 124.210 118.799 5.411 18134 2658 1 8 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.492 0.188 18134 2659 1 8 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.578 -0.858 18134 2660 1 8 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.168 0.832 18134 2661 1 8 . 1 1 65 65 GLU H H 65 8.810 8.810 8.121 0.689 18134 2662 1 8 . 1 1 66 66 GLU N N 66 125.500 125.500 121.221 4.279 18134 2663 1 8 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.883 -0.223 18134 2664 1 8 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.031 1.589 18134 2665 1 8 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.267 -0.017 18134 2666 1 8 . 1 1 66 66 GLU H H 66 9.290 9.290 8.913 0.377 18134 2667 1 8 . 1 1 67 67 GLN N N 67 119.780 119.780 119.382 0.398 18134 2668 1 8 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.121 -0.381 18134 2669 1 8 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.084 -0.024 18134 2670 1 8 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.064 1.016 18134 2671 1 8 . 1 1 67 67 GLN H H 67 9.090 9.090 8.536 0.554 18134 2672 1 8 . 1 1 68 68 ASP N N 68 119.450 119.450 119.525 -0.075 18134 2673 1 8 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.451 0.009 18134 2674 1 8 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.479 0.321 18134 2675 1 8 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.646 0.744 18134 2676 1 8 . 1 1 68 68 ASP H H 68 7.400 7.400 8.481 -1.081 18134 2677 1 8 . 1 1 69 69 LEU N N 69 116.950 116.950 117.956 -1.006 18134 2678 1 8 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.973 0.167 18134 2679 1 8 . 1 1 69 69 LEU CA C 69 56.530 56.530 58.018 -1.488 18134 2680 1 8 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.716 -0.156 18134 2681 1 8 . 1 1 69 69 LEU H H 69 7.180 7.180 8.040 -0.860 18134 2682 1 8 . 1 1 70 70 ARG N N 70 123.140 123.140 119.017 4.123 18134 2683 1 8 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.002 -0.082 18134 2684 1 8 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.832 0.948 18134 2685 1 8 . 1 1 70 70 ARG CB C 70 30.220 30.220 29.921 0.299 18134 2686 1 8 . 1 1 70 70 ARG H H 70 7.990 7.990 7.343 0.647 18134 2687 1 8 . 1 1 71 71 ASP N N 71 121.960 121.960 118.480 3.480 18134 2688 1 8 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.419 0.031 18134 2689 1 8 . 1 1 71 71 ASP CA C 71 57.360 57.360 57.052 0.308 18134 2690 1 8 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.916 -0.367 18134 2691 1 8 . 1 1 71 71 ASP H H 71 8.460 8.460 8.377 0.083 18134 2692 1 8 . 1 1 72 72 ILE N N 72 112.900 112.900 112.229 0.671 18134 2693 1 8 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.086 0.404 18134 2694 1 8 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.358 -0.398 18134 2695 1 8 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.280 0.020 18134 2696 1 8 . 1 1 72 72 ILE H H 72 7.180 7.180 7.478 -0.298 18134 2697 1 8 . 1 1 73 73 GLY N N 73 108.400 108.400 106.539 1.861 18134 2698 1 8 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.715 1.435 18134 2699 1 8 . 1 1 73 73 GLY H H 73 7.650 7.650 7.073 0.577 18134 2700 1 8 . 1 1 74 74 ILE N N 74 123.110 123.110 124.571 -1.461 18134 2701 1 8 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.456 0.674 18134 2702 1 8 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.372 -1.142 18134 2703 1 8 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.825 -2.385 18134 2704 1 8 . 1 1 74 74 ILE H H 74 7.860 7.860 7.625 0.235 18134 2705 1 8 . 1 1 75 75 SER HA H 75 3.820 3.820 4.505 -0.685 18134 2706 1 8 . 1 1 75 75 SER CA C 75 59.540 59.540 58.114 1.426 18134 2707 1 8 . 1 1 75 75 SER CB C 75 63.630 63.630 64.463 -0.833 18134 2708 1 8 . 1 1 76 76 ASP N N 76 127.640 127.640 124.043 3.597 18134 2709 1 8 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.730 0.070 18134 2710 1 8 . 1 1 76 76 ASP CA C 76 52.300 52.300 53.303 -1.003 18134 2711 1 8 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.717 0.323 18134 2712 1 8 . 1 1 76 76 ASP H H 76 8.000 8.000 8.039 -0.039 18134 2713 1 8 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.225 -0.235 18134 2714 1 8 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.385 0.196 18134 2715 1 8 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.159 2.281 18134 2716 1 8 . 1 1 78 78 GLN N N 78 120.390 120.390 115.697 4.693 18134 2717 1 8 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.239 -0.089 18134 2718 1 8 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.643 1.537 18134 2719 1 8 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.843 -0.043 18134 2720 1 8 . 1 1 78 78 GLN H H 78 8.200 8.200 8.953 -0.753 18134 2721 1 8 . 1 1 79 79 HIS N N 79 123.160 123.160 114.916 8.244 18134 2722 1 8 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.684 -0.284 18134 2723 1 8 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.493 0.997 18134 2724 1 8 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.466 0.714 18134 2725 1 8 . 1 1 79 79 HIS H H 79 8.060 8.060 7.897 0.163 18134 2726 1 8 . 1 1 80 80 ARG N N 80 118.250 118.250 120.644 -2.394 18134 2727 1 8 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.199 -0.439 18134 2728 1 8 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.439 2.401 18134 2729 1 8 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.611 1.169 18134 2730 1 8 . 1 1 80 80 ARG H H 80 8.060 8.060 8.071 -0.011 18134 2731 1 8 . 1 1 81 81 ARG N N 81 118.850 118.850 118.812 0.038 18134 2732 1 8 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.093 -0.163 18134 2733 1 8 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.918 1.352 18134 2734 1 8 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.238 -0.019 18134 2735 1 8 . 1 1 81 81 ARG H H 81 7.700 7.700 8.007 -0.307 18134 2736 1 8 . 1 1 82 82 LYS N N 82 121.700 121.700 119.781 1.919 18134 2737 1 8 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.111 -0.061 18134 2738 1 8 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.575 0.084 18134 2739 1 8 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.890 1.220 18134 2740 1 8 . 1 1 82 82 LYS H H 82 8.030 8.030 7.890 0.140 18134 2741 1 8 . 1 1 83 83 LEU N N 83 122.310 122.310 119.454 2.856 18134 2742 1 8 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.028 -0.218 18134 2743 1 8 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.418 1.042 18134 2744 1 8 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.082 0.568 18134 2745 1 8 . 1 1 83 83 LEU H H 83 8.130 8.130 7.484 0.646 18134 2746 1 8 . 1 1 84 84 LEU N N 84 119.760 119.760 118.367 1.393 18134 2747 1 8 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.247 -0.277 18134 2748 1 8 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.806 1.534 18134 2749 1 8 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.895 0.145 18134 2750 1 8 . 1 1 84 84 LEU H H 84 8.030 8.030 7.507 0.523 18134 2751 1 8 . 1 1 85 85 GLN N N 85 119.520 119.520 120.131 -0.611 18134 2752 1 8 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.166 -0.166 18134 2753 1 8 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.956 0.044 18134 2754 1 8 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.768 0.121 18134 2755 1 8 . 1 1 85 85 GLN H H 85 8.340 8.340 8.294 0.046 18134 2756 1 8 . 1 1 86 86 ALA N N 86 124.280 124.280 120.856 3.424 18134 2757 1 8 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.456 -0.166 18134 2758 1 8 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.157 1.043 18134 2759 1 8 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.916 0.434 18134 2760 1 8 . 1 1 86 86 ALA H H 86 8.320 8.320 8.257 0.063 18134 2761 1 8 . 1 1 87 87 ALA N N 87 124.840 124.840 121.816 3.024 18134 2762 1 8 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.094 -0.044 18134 2763 1 8 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.306 1.014 18134 2764 1 8 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.834 -0.684 18134 2765 1 8 . 1 1 87 87 ALA H H 87 8.770 8.770 7.773 0.997 18134 2766 1 8 . 1 1 88 88 ARG N N 88 118.020 118.020 117.041 0.979 18134 2767 1 8 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.150 0.090 18134 2768 1 8 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.259 -0.169 18134 2769 1 8 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.224 0.216 18134 2770 1 8 . 1 1 88 88 ARG H H 88 8.010 8.010 7.872 0.138 18134 2771 1 8 . 1 1 89 89 SER N N 89 115.060 115.060 114.115 0.945 18134 2772 1 8 . 1 1 89 89 SER HA H 89 4.530 4.530 4.363 0.167 18134 2773 1 8 . 1 1 89 89 SER CA C 89 58.630 58.630 59.380 -0.750 18134 2774 1 8 . 1 1 89 89 SER CB C 89 64.370 64.370 63.115 1.255 18134 2775 1 8 . 1 1 89 89 SER H H 89 7.620 7.620 7.736 -0.116 18134 2776 1 8 . 1 1 90 90 LEU N N 90 126.540 126.540 124.080 2.460 18134 2777 1 8 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.284 0.126 18134 2778 1 8 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.429 0.041 18134 2779 1 8 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.874 -0.434 18134 2780 1 8 . 1 1 90 90 LEU H H 90 7.350 7.350 7.151 0.199 18134 2781 1 8 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.460 -0.070 18134 2782 1 8 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.118 1.162 18134 2783 1 8 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.072 0.438 18134 2784 1 8 . 1 1 92 92 LYS N N 92 122.480 122.480 120.477 2.003 18134 2785 1 8 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.304 0.016 18134 2786 1 8 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.527 0.753 18134 2787 1 8 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.512 0.838 18134 2788 1 8 . 1 1 92 92 LYS H H 92 8.330 8.330 8.257 0.073 18134 2789 1 8 . 1 1 93 93 VAL N N 93 122.310 122.310 120.175 2.135 18134 2790 1 8 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.101 -0.031 18134 2791 1 8 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.316 1.814 18134 2792 1 8 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.745 0.485 18134 2793 1 8 . 1 1 93 93 VAL H H 93 8.060 8.060 8.277 -0.217 18134 2794 1 8 . 1 1 94 94 LYS N N 94 127.330 127.330 127.612 -0.282 18134 2795 1 8 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.303 -0.013 18134 2796 1 8 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.210 0.320 18134 2797 1 8 . 1 1 94 94 LYS CB C 94 33.470 33.470 33.384 0.086 18134 2798 1 8 . 1 1 94 94 LYS H H 94 8.340 8.340 8.367 -0.027 18134 2799 1 8 . 1 1 95 95 ALA N N 95 127.620 127.620 124.212 3.408 18134 2800 1 8 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.529 -0.259 18134 2801 1 8 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.519 1.461 18134 2802 1 8 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.342 0.008 18134 2803 1 8 . 1 1 95 95 ALA H H 95 8.290 8.290 8.253 0.037 18134 2804 1 8 . 1 1 96 96 LEU N N 96 123.670 123.670 119.545 4.125 18134 2805 1 8 . 1 1 96 96 LEU HA H 96 4.300 4.300 3.904 0.396 18134 2806 1 8 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.646 0.884 18134 2807 1 8 . 1 1 96 96 LEU CB C 96 42.650 42.650 40.970 1.680 18134 2808 1 8 . 1 1 96 96 LEU H H 96 8.240 8.240 8.226 0.014 18134 2809 1 8 . 1 1 97 97 GLY N N 97 111.540 111.540 104.874 6.666 18134 2810 1 8 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.773 1.006 18134 2811 1 8 . 1 1 97 97 GLY H H 97 8.400 8.400 8.471 -0.071 18134 2812 1 8 . 1 1 98 98 TYR N N 98 122.570 122.570 120.969 1.601 18134 2813 1 8 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.794 -0.204 18134 2814 1 8 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.239 1.101 18134 2815 1 8 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.763 -0.613 18134 2816 1 8 . 1 1 98 98 TYR H H 98 8.060 8.060 7.872 0.188 18134 2817 1 8 . 1 1 99 99 ASP N N 99 124.880 124.880 120.332 4.548 18134 2818 1 8 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.893 -0.333 18134 2819 1 8 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.049 1.351 18134 2820 1 8 . 1 1 99 99 ASP CB C 99 41.650 41.650 43.398 -1.748 18134 2821 1 8 . 1 1 99 99 ASP H H 99 8.350 8.350 8.081 0.269 18134 2822 1 8 . 1 1 100 100 GLY N N 100 110.340 110.340 110.347 -0.007 18134 2823 1 8 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.629 -0.019 18134 2824 1 8 . 1 1 100 100 GLY H H 100 7.540 7.540 8.598 -1.058 18134 2825 1 9 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.341 0.169 18134 2826 1 9 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.507 1.893 18134 2827 1 9 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.288 0.862 18134 2828 1 9 . 1 1 23 23 SER N N 23 120.770 120.770 121.856 -1.086 18134 2829 1 9 . 1 1 23 23 SER HA H 23 4.170 4.170 4.537 -0.367 18134 2830 1 9 . 1 1 23 23 SER H H 23 8.370 8.370 8.996 -0.626 18134 2831 1 9 . 1 1 26 26 ARG N N 26 123.960 123.960 120.735 3.225 18134 2832 1 9 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.548 -0.128 18134 2833 1 9 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.752 0.648 18134 2834 1 9 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.908 -0.688 18134 2835 1 9 . 1 1 26 26 ARG H H 26 8.160 8.160 8.274 -0.114 18134 2836 1 9 . 1 1 27 27 THR N N 27 117.400 117.400 114.212 3.188 18134 2837 1 9 . 1 1 27 27 THR HA H 27 4.240 4.240 4.434 -0.194 18134 2838 1 9 . 1 1 27 27 THR CA C 27 61.710 61.710 61.868 -0.158 18134 2839 1 9 . 1 1 27 27 THR CB C 27 70.280 70.280 69.563 0.717 18134 2840 1 9 . 1 1 27 27 THR H H 27 8.150 8.150 7.586 0.564 18134 2841 1 9 . 1 1 28 28 LEU N N 28 125.240 125.240 121.078 4.162 18134 2842 1 9 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.472 -0.172 18134 2843 1 9 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.239 0.561 18134 2844 1 9 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.397 0.253 18134 2845 1 9 . 1 1 28 28 LEU H H 28 8.230 8.230 8.142 0.088 18134 2846 1 9 . 1 1 29 29 GLU N N 29 123.420 123.420 117.972 5.448 18134 2847 1 9 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.474 -0.174 18134 2848 1 9 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.661 1.469 18134 2849 1 9 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.123 1.217 18134 2850 1 9 . 1 1 29 29 GLU H H 29 8.360 8.360 8.567 -0.207 18134 2851 1 9 . 1 1 30 30 GLN N N 30 122.830 122.830 120.145 2.685 18134 2852 1 9 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.270 0.270 18134 2853 1 9 . 1 1 30 30 GLN CA C 30 55.920 55.920 55.831 0.089 18134 2854 1 9 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.218 2.082 18134 2855 1 9 . 1 1 30 30 GLN H H 30 8.090 8.090 8.168 -0.078 18134 2856 1 9 . 1 1 31 31 SER N N 31 120.590 120.590 116.707 3.883 18134 2857 1 9 . 1 1 31 31 SER HA H 31 4.700 4.700 4.593 0.107 18134 2858 1 9 . 1 1 31 31 SER CA C 31 57.610 57.610 57.052 0.558 18134 2859 1 9 . 1 1 31 31 SER CB C 31 65.900 65.900 64.645 1.254 18134 2860 1 9 . 1 1 31 31 SER H H 31 8.760 8.760 8.308 0.452 18134 2861 1 9 . 1 1 32 32 VAL N N 32 124.160 124.160 122.548 1.612 18134 2862 1 9 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.037 -0.267 18134 2863 1 9 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.354 0.276 18134 2864 1 9 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.872 0.398 18134 2865 1 9 . 1 1 32 32 VAL H H 32 9.030 9.030 8.987 0.043 18134 2866 1 9 . 1 1 33 33 GLY N N 33 110.070 110.070 107.172 2.898 18134 2867 1 9 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.833 0.367 18134 2868 1 9 . 1 1 33 33 GLY H H 33 9.020 9.020 8.207 0.813 18134 2869 1 9 . 1 1 34 34 GLU N N 34 124.850 124.850 122.809 2.041 18134 2870 1 9 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.054 0.026 18134 2871 1 9 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.679 0.741 18134 2872 1 9 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.924 1.416 18134 2873 1 9 . 1 1 34 34 GLU H H 34 7.960 7.960 8.142 -0.182 18134 2874 1 9 . 1 1 35 35 TRP N N 35 125.670 125.670 121.338 4.332 18134 2875 1 9 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.360 -0.120 18134 2876 1 9 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.130 1.580 18134 2877 1 9 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.038 -0.758 18134 2878 1 9 . 1 1 35 35 TRP H H 35 8.580 8.580 8.340 0.240 18134 2879 1 9 . 1 1 36 36 LEU N N 36 121.440 121.440 117.401 4.039 18134 2880 1 9 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.426 -0.076 18134 2881 1 9 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.731 -0.361 18134 2882 1 9 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.111 0.809 18134 2883 1 9 . 1 1 36 36 LEU H H 36 9.130 9.130 8.400 0.730 18134 2884 1 9 . 1 1 37 37 GLU N N 37 122.290 122.290 119.762 2.528 18134 2885 1 9 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.995 0.015 18134 2886 1 9 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.368 -0.308 18134 2887 1 9 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.407 -0.347 18134 2888 1 9 . 1 1 37 37 GLU H H 37 8.250 8.250 8.498 -0.248 18134 2889 1 9 . 1 1 38 38 SER N N 38 118.850 118.850 112.454 6.396 18134 2890 1 9 . 1 1 38 38 SER HA H 38 4.280 4.280 4.286 -0.006 18134 2891 1 9 . 1 1 38 38 SER CA C 38 61.820 61.820 60.677 1.143 18134 2892 1 9 . 1 1 38 38 SER CB C 38 63.650 63.650 63.534 0.116 18134 2893 1 9 . 1 1 38 38 SER H H 38 7.850 7.850 7.893 -0.043 18134 2894 1 9 . 1 1 39 39 ILE N N 39 115.190 115.190 112.753 2.437 18134 2895 1 9 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.349 0.161 18134 2896 1 9 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.977 0.014 18134 2897 1 9 . 1 1 39 39 ILE CB C 39 38.660 38.660 38.901 -0.241 18134 2898 1 9 . 1 1 39 39 ILE H H 39 6.940 6.940 7.172 -0.232 18134 2899 1 9 . 1 1 40 40 GLY N N 40 112.250 112.250 108.439 3.811 18134 2900 1 9 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.254 1.926 18134 2901 1 9 . 1 1 40 40 GLY H H 40 7.630 7.630 7.880 -0.250 18134 2902 1 9 . 1 1 41 41 LEU N N 41 121.470 121.470 119.807 1.663 18134 2903 1 9 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.511 0.259 18134 2904 1 9 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.473 0.157 18134 2905 1 9 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.636 0.494 18134 2906 1 9 . 1 1 41 41 LEU H H 41 7.810 7.810 8.288 -0.478 18134 2907 1 9 . 1 1 42 42 GLN N N 42 122.310 122.310 120.002 2.308 18134 2908 1 9 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.860 0.030 18134 2909 1 9 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.485 -0.075 18134 2910 1 9 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.294 -0.734 18134 2911 1 9 . 1 1 42 42 GLN H H 42 9.070 9.070 7.908 1.162 18134 2912 1 9 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.075 0.165 18134 2913 1 9 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.396 -0.396 18134 2914 1 9 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.662 -0.342 18134 2915 1 9 . 1 1 44 44 TYR N N 44 121.180 121.180 120.403 0.777 18134 2916 1 9 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.501 0.289 18134 2917 1 9 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.458 1.123 18134 2918 1 9 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.911 0.389 18134 2919 1 9 . 1 1 44 44 TYR H H 44 7.640 7.640 8.121 -0.481 18134 2920 1 9 . 1 1 45 45 GLU N N 45 124.810 124.810 121.206 3.604 18134 2921 1 9 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.848 -0.237 18134 2922 1 9 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.924 1.666 18134 2923 1 9 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.200 0.890 18134 2924 1 9 . 1 1 45 45 GLU H H 45 7.850 7.850 7.716 0.134 18134 2925 1 9 . 1 1 46 46 SER N N 46 114.660 114.660 115.175 -0.515 18134 2926 1 9 . 1 1 46 46 SER HA H 46 4.000 4.000 4.110 -0.110 18134 2927 1 9 . 1 1 46 46 SER CA C 46 62.920 62.920 62.185 0.735 18134 2928 1 9 . 1 1 46 46 SER H H 46 8.790 8.790 8.147 0.643 18134 2929 1 9 . 1 1 47 47 LYS N N 47 122.810 122.810 121.620 1.190 18134 2930 1 9 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.102 0.018 18134 2931 1 9 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.765 0.795 18134 2932 1 9 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.242 0.708 18134 2933 1 9 . 1 1 47 47 LYS H H 47 7.810 7.810 8.268 -0.458 18134 2934 1 9 . 1 1 48 48 LEU N N 48 121.420 121.420 118.796 2.624 18134 2935 1 9 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.242 -0.032 18134 2936 1 9 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.354 3.066 18134 2937 1 9 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.105 -1.755 18134 2938 1 9 . 1 1 48 48 LEU H H 48 8.010 8.010 7.720 0.290 18134 2939 1 9 . 1 1 49 49 LEU N N 49 121.260 121.260 120.707 0.553 18134 2940 1 9 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.425 -0.534 18134 2941 1 9 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.363 1.697 18134 2942 1 9 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.672 -0.752 18134 2943 1 9 . 1 1 49 49 LEU H H 49 8.520 8.520 7.832 0.688 18134 2944 1 9 . 1 1 50 50 LEU N N 50 121.260 121.260 120.538 0.722 18134 2945 1 9 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.153 0.067 18134 2946 1 9 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.950 0.060 18134 2947 1 9 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.119 0.041 18134 2948 1 9 . 1 1 50 50 LEU H H 50 8.530 8.530 8.746 -0.216 18134 2949 1 9 . 1 1 51 51 ASN N N 51 116.660 116.660 116.407 0.253 18134 2950 1 9 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.820 0.020 18134 2951 1 9 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.020 1.090 18134 2952 1 9 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.477 2.483 18134 2953 1 9 . 1 1 51 51 ASN H H 51 7.280 7.280 7.673 -0.393 18134 2954 1 9 . 1 1 52 52 GLY N N 52 107.530 107.530 106.764 0.766 18134 2955 1 9 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.345 -0.215 18134 2956 1 9 . 1 1 52 52 GLY H H 52 7.720 7.720 7.701 0.019 18134 2957 1 9 . 1 1 53 53 PHE N N 53 123.430 123.430 118.552 4.878 18134 2958 1 9 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.683 0.117 18134 2959 1 9 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.333 0.317 18134 2960 1 9 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.846 -1.746 18134 2961 1 9 . 1 1 53 53 PHE H H 53 8.210 8.210 7.509 0.701 18134 2962 1 9 . 1 1 54 54 ASP N N 54 117.170 117.170 120.184 -3.014 18134 2963 1 9 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.541 0.029 18134 2964 1 9 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.473 -1.483 18134 2965 1 9 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.817 0.983 18134 2966 1 9 . 1 1 54 54 ASP H H 54 7.720 7.720 8.319 -0.599 18134 2967 1 9 . 1 1 55 55 ASP N N 55 121.390 121.390 120.802 0.588 18134 2968 1 9 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.646 0.014 18134 2969 1 9 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.433 -1.163 18134 2970 1 9 . 1 1 55 55 ASP H H 55 7.830 7.830 8.008 -0.178 18134 2971 1 9 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.823 -0.413 18134 2972 1 9 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.957 1.103 18134 2973 1 9 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.754 0.026 18134 2974 1 9 . 1 1 56 56 VAL H H 56 8.800 8.800 8.253 0.547 18134 2975 1 9 . 1 1 57 57 HIS N N 57 121.390 121.390 115.709 5.681 18134 2976 1 9 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.588 -0.388 18134 2977 1 9 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.399 0.731 18134 2978 1 9 . 1 1 57 57 HIS H H 57 8.390 8.390 8.417 -0.027 18134 2979 1 9 . 1 1 58 58 PHE N N 58 121.980 121.980 117.334 4.646 18134 2980 1 9 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.700 -0.340 18134 2981 1 9 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.877 1.273 18134 2982 1 9 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.448 -1.578 18134 2983 1 9 . 1 1 58 58 PHE H H 58 7.930 7.930 8.079 -0.149 18134 2984 1 9 . 1 1 59 59 LEU N N 59 121.800 121.800 120.202 1.598 18134 2985 1 9 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.226 -0.186 18134 2986 1 9 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.624 0.106 18134 2987 1 9 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.462 0.458 18134 2988 1 9 . 1 1 59 59 LEU H H 59 7.730 7.730 7.646 0.084 18134 2989 1 9 . 1 1 60 60 GLY N N 60 106.180 106.180 101.422 4.758 18134 2990 1 9 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.700 1.399 18134 2991 1 9 . 1 1 60 60 GLY H H 60 7.800 7.800 8.108 -0.308 18134 2992 1 9 . 1 1 61 61 SER N N 61 116.150 116.150 115.363 0.787 18134 2993 1 9 . 1 1 61 61 SER HA H 61 4.770 4.770 4.494 0.276 18134 2994 1 9 . 1 1 61 61 SER CA C 61 59.370 59.370 58.112 1.258 18134 2995 1 9 . 1 1 61 61 SER CB C 61 64.450 64.450 64.248 0.202 18134 2996 1 9 . 1 1 61 61 SER H H 61 7.610 7.610 8.131 -0.521 18134 2997 1 9 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.748 -0.078 18134 2998 1 9 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.797 -0.927 18134 2999 1 9 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.529 -0.379 18134 3000 1 9 . 1 1 63 63 VAL N N 63 120.030 120.030 121.396 -1.366 18134 3001 1 9 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.971 0.119 18134 3002 1 9 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.144 -1.464 18134 3003 1 9 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.741 0.129 18134 3004 1 9 . 1 1 63 63 VAL H H 63 7.770 7.770 8.576 -0.806 18134 3005 1 9 . 1 1 64 64 MET N N 64 125.400 125.400 116.239 9.161 18134 3006 1 9 . 1 1 64 64 MET HA H 64 4.460 4.460 4.161 0.299 18134 3007 1 9 . 1 1 64 64 MET CA C 64 55.610 55.610 56.234 -0.624 18134 3008 1 9 . 1 1 64 64 MET CB C 64 34.400 34.400 30.266 4.134 18134 3009 1 9 . 1 1 64 64 MET H H 64 7.900 7.900 8.225 -0.325 18134 3010 1 9 . 1 1 65 65 GLU N N 65 124.210 124.210 118.860 5.350 18134 3011 1 9 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.459 0.221 18134 3012 1 9 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.587 -0.866 18134 3013 1 9 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.733 1.266 18134 3014 1 9 . 1 1 65 65 GLU H H 65 8.810 8.810 7.889 0.921 18134 3015 1 9 . 1 1 66 66 GLU N N 66 125.500 125.500 120.756 4.744 18134 3016 1 9 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.916 -0.256 18134 3017 1 9 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.432 1.188 18134 3018 1 9 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.478 -0.228 18134 3019 1 9 . 1 1 66 66 GLU H H 66 9.290 9.290 8.817 0.473 18134 3020 1 9 . 1 1 67 67 GLN N N 67 119.780 119.780 118.796 0.984 18134 3021 1 9 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.069 -0.329 18134 3022 1 9 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.324 -0.264 18134 3023 1 9 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.878 1.202 18134 3024 1 9 . 1 1 67 67 GLN H H 67 9.090 9.090 8.621 0.469 18134 3025 1 9 . 1 1 68 68 ASP N N 68 119.450 119.450 119.399 0.051 18134 3026 1 9 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.447 0.013 18134 3027 1 9 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.160 0.640 18134 3028 1 9 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.521 0.869 18134 3029 1 9 . 1 1 68 68 ASP H H 68 7.400 7.400 8.445 -1.045 18134 3030 1 9 . 1 1 69 69 LEU N N 69 116.950 116.950 119.654 -2.704 18134 3031 1 9 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.849 0.291 18134 3032 1 9 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.525 -0.995 18134 3033 1 9 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.790 -0.230 18134 3034 1 9 . 1 1 69 69 LEU H H 69 7.180 7.180 7.710 -0.530 18134 3035 1 9 . 1 1 70 70 ARG N N 70 123.140 123.140 119.365 3.775 18134 3036 1 9 . 1 1 70 70 ARG HA H 70 3.920 3.920 3.994 -0.074 18134 3037 1 9 . 1 1 70 70 ARG CA C 70 59.780 59.780 59.074 0.706 18134 3038 1 9 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.020 0.200 18134 3039 1 9 . 1 1 70 70 ARG H H 70 7.990 7.990 8.171 -0.181 18134 3040 1 9 . 1 1 71 71 ASP N N 71 121.960 121.960 121.259 0.701 18134 3041 1 9 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.437 0.013 18134 3042 1 9 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.929 0.431 18134 3043 1 9 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.970 -0.420 18134 3044 1 9 . 1 1 71 71 ASP H H 71 8.460 8.460 8.389 0.071 18134 3045 1 9 . 1 1 72 72 ILE N N 72 112.900 112.900 112.569 0.331 18134 3046 1 9 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.264 0.226 18134 3047 1 9 . 1 1 72 72 ILE CA C 72 61.960 61.960 60.824 1.136 18134 3048 1 9 . 1 1 72 72 ILE CB C 72 38.300 38.300 37.534 0.766 18134 3049 1 9 . 1 1 72 72 ILE H H 72 7.180 7.180 7.340 -0.160 18134 3050 1 9 . 1 1 73 73 GLY N N 73 108.400 108.400 108.254 0.146 18134 3051 1 9 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.827 1.323 18134 3052 1 9 . 1 1 73 73 GLY H H 73 7.650 7.650 7.660 -0.010 18134 3053 1 9 . 1 1 74 74 ILE N N 74 123.110 123.110 124.706 -1.596 18134 3054 1 9 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.629 0.501 18134 3055 1 9 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.362 -1.132 18134 3056 1 9 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.234 -1.794 18134 3057 1 9 . 1 1 74 74 ILE H H 74 7.860 7.860 7.351 0.509 18134 3058 1 9 . 1 1 75 75 SER HA H 75 3.820 3.820 4.517 -0.697 18134 3059 1 9 . 1 1 75 75 SER CA C 75 59.540 59.540 57.879 1.661 18134 3060 1 9 . 1 1 75 75 SER CB C 75 63.630 63.630 64.428 -0.798 18134 3061 1 9 . 1 1 76 76 ASP N N 76 127.640 127.640 124.798 2.842 18134 3062 1 9 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.636 0.164 18134 3063 1 9 . 1 1 76 76 ASP CA C 76 52.300 52.300 53.715 -1.415 18134 3064 1 9 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.285 0.755 18134 3065 1 9 . 1 1 76 76 ASP H H 76 8.000 8.000 8.253 -0.253 18134 3066 1 9 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.259 -0.269 18134 3067 1 9 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.539 0.041 18134 3068 1 9 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.168 2.272 18134 3069 1 9 . 1 1 78 78 GLN N N 78 120.390 120.390 115.966 4.424 18134 3070 1 9 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.221 -0.071 18134 3071 1 9 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.961 1.219 18134 3072 1 9 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.457 -0.657 18134 3073 1 9 . 1 1 78 78 GLN H H 78 8.200 8.200 8.945 -0.745 18134 3074 1 9 . 1 1 79 79 HIS N N 79 123.160 123.160 115.575 7.585 18134 3075 1 9 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.672 -0.272 18134 3076 1 9 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.799 0.691 18134 3077 1 9 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.492 0.688 18134 3078 1 9 . 1 1 79 79 HIS H H 79 8.060 8.060 7.884 0.176 18134 3079 1 9 . 1 1 80 80 ARG N N 80 118.250 118.250 120.781 -2.531 18134 3080 1 9 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.157 -0.397 18134 3081 1 9 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.608 2.232 18134 3082 1 9 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.544 1.236 18134 3083 1 9 . 1 1 80 80 ARG H H 80 8.060 8.060 8.325 -0.265 18134 3084 1 9 . 1 1 81 81 ARG N N 81 118.850 118.850 119.363 -0.513 18134 3085 1 9 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.117 -0.187 18134 3086 1 9 . 1 1 81 81 ARG CA C 81 60.270 60.270 59.468 0.802 18134 3087 1 9 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.096 0.124 18134 3088 1 9 . 1 1 81 81 ARG H H 81 7.700 7.700 8.087 -0.387 18134 3089 1 9 . 1 1 82 82 LYS N N 82 121.700 121.700 119.930 1.770 18134 3090 1 9 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.053 -0.003 18134 3091 1 9 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.874 -0.214 18134 3092 1 9 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.982 1.128 18134 3093 1 9 . 1 1 82 82 LYS H H 82 8.030 8.030 7.928 0.102 18134 3094 1 9 . 1 1 83 83 LEU N N 83 122.310 122.310 119.010 3.300 18134 3095 1 9 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.061 -0.251 18134 3096 1 9 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.209 1.251 18134 3097 1 9 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.212 1.438 18134 3098 1 9 . 1 1 83 83 LEU H H 83 8.130 8.130 7.521 0.609 18134 3099 1 9 . 1 1 84 84 LEU N N 84 119.760 119.760 117.271 2.489 18134 3100 1 9 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.407 -0.437 18134 3101 1 9 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.159 2.181 18134 3102 1 9 . 1 1 84 84 LEU CB C 84 42.040 42.040 42.446 -0.406 18134 3103 1 9 . 1 1 84 84 LEU H H 84 8.030 8.030 7.431 0.599 18134 3104 1 9 . 1 1 85 85 GLN N N 85 119.520 119.520 120.299 -0.779 18134 3105 1 9 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.194 -0.194 18134 3106 1 9 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.849 0.151 18134 3107 1 9 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.145 -0.255 18134 3108 1 9 . 1 1 85 85 GLN H H 85 8.340 8.340 8.267 0.073 18134 3109 1 9 . 1 1 86 86 ALA N N 86 124.280 124.280 121.154 3.126 18134 3110 1 9 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.433 -0.143 18134 3111 1 9 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.276 0.924 18134 3112 1 9 . 1 1 86 86 ALA CB C 86 19.350 19.350 19.088 0.262 18134 3113 1 9 . 1 1 86 86 ALA H H 86 8.320 8.320 8.135 0.185 18134 3114 1 9 . 1 1 87 87 ALA N N 87 124.840 124.840 120.721 4.119 18134 3115 1 9 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.154 -0.104 18134 3116 1 9 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.174 1.146 18134 3117 1 9 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.642 -0.492 18134 3118 1 9 . 1 1 87 87 ALA H H 87 8.770 8.770 8.113 0.657 18134 3119 1 9 . 1 1 88 88 ARG N N 88 118.020 118.020 117.330 0.690 18134 3120 1 9 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.163 0.077 18134 3121 1 9 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.387 -0.297 18134 3122 1 9 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.602 -0.162 18134 3123 1 9 . 1 1 88 88 ARG H H 88 8.010 8.010 7.757 0.253 18134 3124 1 9 . 1 1 89 89 SER N N 89 115.060 115.060 112.918 2.142 18134 3125 1 9 . 1 1 89 89 SER HA H 89 4.530 4.530 4.339 0.191 18134 3126 1 9 . 1 1 89 89 SER CA C 89 58.630 58.630 59.358 -0.728 18134 3127 1 9 . 1 1 89 89 SER CB C 89 64.370 64.370 63.200 1.170 18134 3128 1 9 . 1 1 89 89 SER H H 89 7.620 7.620 7.667 -0.047 18134 3129 1 9 . 1 1 90 90 LEU N N 90 126.540 126.540 123.788 2.752 18134 3130 1 9 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.397 0.013 18134 3131 1 9 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.842 0.628 18134 3132 1 9 . 1 1 90 90 LEU CB C 90 41.440 41.440 42.091 -0.651 18134 3133 1 9 . 1 1 90 90 LEU H H 90 7.350 7.350 7.188 0.162 18134 3134 1 9 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.474 -0.084 18134 3135 1 9 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.471 0.809 18134 3136 1 9 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.384 0.126 18134 3137 1 9 . 1 1 92 92 LYS N N 92 122.480 122.480 114.589 7.891 18134 3138 1 9 . 1 1 92 92 LYS HA H 92 4.320 4.320 3.957 0.363 18134 3139 1 9 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.693 -0.413 18134 3140 1 9 . 1 1 92 92 LYS CB C 92 33.350 33.350 30.786 2.564 18134 3141 1 9 . 1 1 92 92 LYS H H 92 8.330 8.330 8.557 -0.227 18134 3142 1 9 . 1 1 93 93 VAL N N 93 122.310 122.310 117.820 4.490 18134 3143 1 9 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.309 -0.239 18134 3144 1 9 . 1 1 93 93 VAL CA C 93 63.130 63.130 59.401 3.729 18134 3145 1 9 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.860 -1.630 18134 3146 1 9 . 1 1 93 93 VAL H H 93 8.060 8.060 7.793 0.267 18134 3147 1 9 . 1 1 94 94 LYS N N 94 127.330 127.330 126.570 0.760 18134 3148 1 9 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.493 -0.203 18134 3149 1 9 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.145 0.385 18134 3150 1 9 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.285 1.185 18134 3151 1 9 . 1 1 94 94 LYS H H 94 8.340 8.340 8.266 0.074 18134 3152 1 9 . 1 1 95 95 ALA N N 95 127.620 127.620 122.319 5.301 18134 3153 1 9 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.374 -0.104 18134 3154 1 9 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.143 0.837 18134 3155 1 9 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.552 -0.202 18134 3156 1 9 . 1 1 95 95 ALA H H 95 8.290 8.290 7.804 0.486 18134 3157 1 9 . 1 1 96 96 LEU N N 96 123.670 123.670 121.683 1.987 18134 3158 1 9 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.093 0.207 18134 3159 1 9 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.244 1.286 18134 3160 1 9 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.311 0.339 18134 3161 1 9 . 1 1 96 96 LEU H H 96 8.240 8.240 8.444 -0.204 18134 3162 1 9 . 1 1 97 97 GLY N N 97 111.540 111.540 106.504 5.036 18134 3163 1 9 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.779 1.001 18134 3164 1 9 . 1 1 97 97 GLY H H 97 8.400 8.400 8.011 0.389 18134 3165 1 9 . 1 1 98 98 TYR N N 98 122.570 122.570 116.350 6.220 18134 3166 1 9 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.932 -0.342 18134 3167 1 9 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.014 1.325 18134 3168 1 9 . 1 1 98 98 TYR CB C 98 39.150 39.150 40.130 -0.980 18134 3169 1 9 . 1 1 98 98 TYR H H 98 8.060 8.060 7.284 0.776 18134 3170 1 9 . 1 1 99 99 ASP N N 99 124.880 124.880 124.117 0.763 18134 3171 1 9 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.653 -0.093 18134 3172 1 9 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.323 1.077 18134 3173 1 9 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.390 0.260 18134 3174 1 9 . 1 1 99 99 ASP H H 99 8.350 8.350 8.939 -0.589 18134 3175 1 9 . 1 1 100 100 GLY N N 100 110.340 110.340 110.299 0.041 18134 3176 1 9 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.562 1.048 18134 3177 1 9 . 1 1 100 100 GLY H H 100 7.540 7.540 8.184 -0.644 18134 3178 1 10 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.449 0.061 18134 3179 1 10 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.821 1.579 18134 3180 1 10 . 1 1 22 22 ILE CB C 22 39.150 39.150 39.186 -0.036 18134 3181 1 10 . 1 1 23 23 SER N N 23 120.770 120.770 121.024 -0.254 18134 3182 1 10 . 1 1 23 23 SER HA H 23 4.170 4.170 4.550 -0.380 18134 3183 1 10 . 1 1 23 23 SER H H 23 8.370 8.370 8.874 -0.504 18134 3184 1 10 . 1 1 26 26 ARG N N 26 123.960 123.960 118.673 5.287 18134 3185 1 10 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.484 -0.064 18134 3186 1 10 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.174 0.226 18134 3187 1 10 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.108 -0.888 18134 3188 1 10 . 1 1 26 26 ARG H H 26 8.160 8.160 8.434 -0.274 18134 3189 1 10 . 1 1 27 27 THR N N 27 117.400 117.400 110.501 6.899 18134 3190 1 10 . 1 1 27 27 THR HA H 27 4.240 4.240 4.555 -0.315 18134 3191 1 10 . 1 1 27 27 THR CA C 27 61.710 61.710 60.619 1.091 18134 3192 1 10 . 1 1 27 27 THR CB C 27 70.280 70.280 71.295 -1.015 18134 3193 1 10 . 1 1 27 27 THR H H 27 8.150 8.150 7.648 0.502 18134 3194 1 10 . 1 1 28 28 LEU N N 28 125.240 125.240 120.494 4.746 18134 3195 1 10 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.502 -0.202 18134 3196 1 10 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.349 0.451 18134 3197 1 10 . 1 1 28 28 LEU CB C 28 42.650 42.650 43.199 -0.549 18134 3198 1 10 . 1 1 28 28 LEU H H 28 8.230 8.230 8.094 0.136 18134 3199 1 10 . 1 1 29 29 GLU N N 29 123.420 123.420 119.185 4.235 18134 3200 1 10 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.064 0.236 18134 3201 1 10 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.018 0.112 18134 3202 1 10 . 1 1 29 29 GLU CB C 29 30.340 30.340 28.893 1.447 18134 3203 1 10 . 1 1 29 29 GLU H H 29 8.360 8.360 8.277 0.083 18134 3204 1 10 . 1 1 30 30 GLN N N 30 122.830 122.830 116.662 6.168 18134 3205 1 10 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.302 0.238 18134 3206 1 10 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.158 -0.238 18134 3207 1 10 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.453 1.847 18134 3208 1 10 . 1 1 30 30 GLN H H 30 8.090 8.090 7.922 0.168 18134 3209 1 10 . 1 1 31 31 SER N N 31 120.590 120.590 117.099 3.491 18134 3210 1 10 . 1 1 31 31 SER HA H 31 4.700 4.700 4.562 0.138 18134 3211 1 10 . 1 1 31 31 SER CA C 31 57.610 57.610 56.674 0.936 18134 3212 1 10 . 1 1 31 31 SER CB C 31 65.900 65.900 64.644 1.256 18134 3213 1 10 . 1 1 31 31 SER H H 31 8.760 8.760 8.323 0.437 18134 3214 1 10 . 1 1 32 32 VAL N N 32 124.160 124.160 122.556 1.604 18134 3215 1 10 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.075 -0.305 18134 3216 1 10 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.215 0.415 18134 3217 1 10 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.896 0.374 18134 3218 1 10 . 1 1 32 32 VAL H H 32 9.030 9.030 9.015 0.015 18134 3219 1 10 . 1 1 33 33 GLY N N 33 110.070 110.070 107.086 2.984 18134 3220 1 10 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.656 0.545 18134 3221 1 10 . 1 1 33 33 GLY H H 33 9.020 9.020 8.392 0.628 18134 3222 1 10 . 1 1 34 34 GLU N N 34 124.850 124.850 123.195 1.655 18134 3223 1 10 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.113 -0.033 18134 3224 1 10 . 1 1 34 34 GLU CA C 34 59.420 59.420 59.153 0.267 18134 3225 1 10 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.050 1.290 18134 3226 1 10 . 1 1 34 34 GLU H H 34 7.960 7.960 8.546 -0.586 18134 3227 1 10 . 1 1 35 35 TRP N N 35 125.670 125.670 120.684 4.986 18134 3228 1 10 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.303 -0.063 18134 3229 1 10 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.408 1.302 18134 3230 1 10 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.157 -0.877 18134 3231 1 10 . 1 1 35 35 TRP H H 35 8.580 8.580 8.328 0.252 18134 3232 1 10 . 1 1 36 36 LEU N N 36 121.440 121.440 118.640 2.800 18134 3233 1 10 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.409 -0.059 18134 3234 1 10 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.795 -0.425 18134 3235 1 10 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.247 0.673 18134 3236 1 10 . 1 1 36 36 LEU H H 36 9.130 9.130 8.421 0.709 18134 3237 1 10 . 1 1 37 37 GLU N N 37 122.290 122.290 119.749 2.541 18134 3238 1 10 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.005 0.005 18134 3239 1 10 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.289 -0.229 18134 3240 1 10 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.201 -0.141 18134 3241 1 10 . 1 1 37 37 GLU H H 37 8.250 8.250 8.463 -0.213 18134 3242 1 10 . 1 1 38 38 SER N N 38 118.850 118.850 113.045 5.805 18134 3243 1 10 . 1 1 38 38 SER HA H 38 4.280 4.280 4.323 -0.043 18134 3244 1 10 . 1 1 38 38 SER CA C 38 61.820 61.820 60.666 1.154 18134 3245 1 10 . 1 1 38 38 SER CB C 38 63.650 63.650 63.437 0.214 18134 3246 1 10 . 1 1 38 38 SER H H 38 7.850 7.850 7.772 0.078 18134 3247 1 10 . 1 1 39 39 ILE N N 39 115.190 115.190 113.502 1.688 18134 3248 1 10 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.480 0.030 18134 3249 1 10 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.708 0.282 18134 3250 1 10 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.417 -0.757 18134 3251 1 10 . 1 1 39 39 ILE H H 39 6.940 6.940 7.209 -0.269 18134 3252 1 10 . 1 1 40 40 GLY N N 40 112.250 112.250 108.344 3.906 18134 3253 1 10 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.239 1.940 18134 3254 1 10 . 1 1 40 40 GLY H H 40 7.630 7.630 7.944 -0.314 18134 3255 1 10 . 1 1 41 41 LEU N N 41 121.470 121.470 120.209 1.261 18134 3256 1 10 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.513 0.257 18134 3257 1 10 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.308 0.322 18134 3258 1 10 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.414 0.716 18134 3259 1 10 . 1 1 41 41 LEU H H 41 7.810 7.810 8.274 -0.464 18134 3260 1 10 . 1 1 42 42 GLN N N 42 122.310 122.310 119.945 2.365 18134 3261 1 10 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.862 0.028 18134 3262 1 10 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.427 -0.017 18134 3263 1 10 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.256 -0.697 18134 3264 1 10 . 1 1 42 42 GLN H H 42 9.070 9.070 7.916 1.154 18134 3265 1 10 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.046 0.194 18134 3266 1 10 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.284 -0.284 18134 3267 1 10 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.756 -0.436 18134 3268 1 10 . 1 1 44 44 TYR N N 44 121.180 121.180 120.039 1.141 18134 3269 1 10 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.530 0.260 18134 3270 1 10 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.548 1.032 18134 3271 1 10 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.228 0.072 18134 3272 1 10 . 1 1 44 44 TYR H H 44 7.640 7.640 8.002 -0.362 18134 3273 1 10 . 1 1 45 45 GLU N N 45 124.810 124.810 120.734 4.076 18134 3274 1 10 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.872 -0.262 18134 3275 1 10 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.066 1.524 18134 3276 1 10 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.269 0.821 18134 3277 1 10 . 1 1 45 45 GLU H H 45 7.850 7.850 7.664 0.186 18134 3278 1 10 . 1 1 46 46 SER N N 46 114.660 114.660 114.896 -0.236 18134 3279 1 10 . 1 1 46 46 SER HA H 46 4.000 4.000 4.163 -0.163 18134 3280 1 10 . 1 1 46 46 SER CA C 46 62.920 62.920 61.041 1.879 18134 3281 1 10 . 1 1 46 46 SER H H 46 8.790 8.790 8.171 0.619 18134 3282 1 10 . 1 1 47 47 LYS N N 47 122.810 122.810 121.529 1.281 18134 3283 1 10 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.181 -0.061 18134 3284 1 10 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.751 0.809 18134 3285 1 10 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.354 0.596 18134 3286 1 10 . 1 1 47 47 LYS H H 47 7.810 7.810 7.815 -0.005 18134 3287 1 10 . 1 1 48 48 LEU N N 48 121.420 121.420 119.134 2.286 18134 3288 1 10 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.291 -0.081 18134 3289 1 10 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.567 2.853 18134 3290 1 10 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.783 -1.433 18134 3291 1 10 . 1 1 48 48 LEU H H 48 8.010 8.010 7.406 0.604 18134 3292 1 10 . 1 1 49 49 LEU N N 49 121.260 121.260 120.926 0.334 18134 3293 1 10 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.384 -0.494 18134 3294 1 10 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.541 1.519 18134 3295 1 10 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.526 -0.607 18134 3296 1 10 . 1 1 49 49 LEU H H 49 8.520 8.520 7.657 0.863 18134 3297 1 10 . 1 1 50 50 LEU N N 50 121.260 121.260 120.497 0.763 18134 3298 1 10 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.081 0.139 18134 3299 1 10 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.257 -0.247 18134 3300 1 10 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.940 0.220 18134 3301 1 10 . 1 1 50 50 LEU H H 50 8.530 8.530 8.551 -0.021 18134 3302 1 10 . 1 1 51 51 ASN N N 51 116.660 116.660 115.819 0.841 18134 3303 1 10 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.815 0.025 18134 3304 1 10 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.223 0.887 18134 3305 1 10 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.865 2.095 18134 3306 1 10 . 1 1 51 51 ASN H H 51 7.280 7.280 7.689 -0.409 18134 3307 1 10 . 1 1 52 52 GLY N N 52 107.530 107.530 107.646 -0.116 18134 3308 1 10 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.335 -0.205 18134 3309 1 10 . 1 1 52 52 GLY H H 52 7.720 7.720 7.766 -0.046 18134 3310 1 10 . 1 1 53 53 PHE N N 53 123.430 123.430 118.643 4.787 18134 3311 1 10 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.612 0.188 18134 3312 1 10 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.502 0.148 18134 3313 1 10 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.670 -1.571 18134 3314 1 10 . 1 1 53 53 PHE H H 53 8.210 8.210 7.533 0.677 18134 3315 1 10 . 1 1 54 54 ASP N N 54 117.170 117.170 119.369 -2.199 18134 3316 1 10 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.479 0.091 18134 3317 1 10 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.620 -1.630 18134 3318 1 10 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.867 0.933 18134 3319 1 10 . 1 1 54 54 ASP H H 54 7.720 7.720 8.229 -0.509 18134 3320 1 10 . 1 1 55 55 ASP N N 55 121.390 121.390 121.207 0.183 18134 3321 1 10 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.553 0.107 18134 3322 1 10 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.000 -0.730 18134 3323 1 10 . 1 1 55 55 ASP H H 55 7.830 7.830 8.059 -0.229 18134 3324 1 10 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.621 -0.211 18134 3325 1 10 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.933 1.127 18134 3326 1 10 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.815 -0.035 18134 3327 1 10 . 1 1 56 56 VAL H H 56 8.800 8.800 8.019 0.781 18134 3328 1 10 . 1 1 57 57 HIS N N 57 121.390 121.390 116.271 5.119 18134 3329 1 10 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.540 -0.340 18134 3330 1 10 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.326 -0.196 18134 3331 1 10 . 1 1 57 57 HIS H H 57 8.390 8.390 8.294 0.096 18134 3332 1 10 . 1 1 58 58 PHE N N 58 121.980 121.980 118.931 3.049 18134 3333 1 10 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.575 -0.215 18134 3334 1 10 . 1 1 58 58 PHE CA C 58 60.150 60.150 59.615 0.535 18134 3335 1 10 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.923 -1.053 18134 3336 1 10 . 1 1 58 58 PHE H H 58 7.930 7.930 8.174 -0.244 18134 3337 1 10 . 1 1 59 59 LEU N N 59 121.800 121.800 117.858 3.942 18134 3338 1 10 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.350 -0.310 18134 3339 1 10 . 1 1 59 59 LEU CA C 59 57.730 57.730 58.025 -0.295 18134 3340 1 10 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.170 0.750 18134 3341 1 10 . 1 1 59 59 LEU H H 59 7.730 7.730 7.684 0.046 18134 3342 1 10 . 1 1 60 60 GLY N N 60 106.180 106.180 103.431 2.749 18134 3343 1 10 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.822 1.278 18134 3344 1 10 . 1 1 60 60 GLY H H 60 7.800 7.800 8.303 -0.503 18134 3345 1 10 . 1 1 61 61 SER N N 61 116.150 116.150 114.423 1.727 18134 3346 1 10 . 1 1 61 61 SER HA H 61 4.770 4.770 4.519 0.251 18134 3347 1 10 . 1 1 61 61 SER CA C 61 59.370 59.370 58.952 0.418 18134 3348 1 10 . 1 1 61 61 SER CB C 61 64.450 64.450 64.589 -0.139 18134 3349 1 10 . 1 1 61 61 SER H H 61 7.610 7.610 7.973 -0.363 18134 3350 1 10 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.883 -0.213 18134 3351 1 10 . 1 1 62 62 ASN CA C 62 53.870 53.870 53.275 0.595 18134 3352 1 10 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.468 -0.318 18134 3353 1 10 . 1 1 63 63 VAL N N 63 120.030 120.030 120.780 -0.750 18134 3354 1 10 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.942 0.148 18134 3355 1 10 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.330 -1.650 18134 3356 1 10 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.088 0.782 18134 3357 1 10 . 1 1 63 63 VAL H H 63 7.770 7.770 8.502 -0.732 18134 3358 1 10 . 1 1 64 64 MET N N 64 125.400 125.400 116.455 8.945 18134 3359 1 10 . 1 1 64 64 MET HA H 64 4.460 4.460 4.073 0.387 18134 3360 1 10 . 1 1 64 64 MET CA C 64 55.610 55.610 55.864 -0.254 18134 3361 1 10 . 1 1 64 64 MET CB C 64 34.400 34.400 30.375 4.026 18134 3362 1 10 . 1 1 64 64 MET H H 64 7.900 7.900 8.122 -0.222 18134 3363 1 10 . 1 1 65 65 GLU N N 65 124.210 124.210 118.401 5.809 18134 3364 1 10 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.416 0.264 18134 3365 1 10 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.513 -0.792 18134 3366 1 10 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.600 1.400 18134 3367 1 10 . 1 1 65 65 GLU H H 65 8.810 8.810 7.915 0.895 18134 3368 1 10 . 1 1 66 66 GLU N N 66 125.500 125.500 121.763 3.737 18134 3369 1 10 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.782 -0.122 18134 3370 1 10 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.044 1.576 18134 3371 1 10 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.093 0.157 18134 3372 1 10 . 1 1 66 66 GLU H H 66 9.290 9.290 8.860 0.430 18134 3373 1 10 . 1 1 67 67 GLN N N 67 119.780 119.780 118.916 0.864 18134 3374 1 10 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.032 -0.292 18134 3375 1 10 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.344 -0.284 18134 3376 1 10 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.193 0.887 18134 3377 1 10 . 1 1 67 67 GLN H H 67 9.090 9.090 8.525 0.565 18134 3378 1 10 . 1 1 68 68 ASP N N 68 119.450 119.450 120.231 -0.781 18134 3379 1 10 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.466 -0.006 18134 3380 1 10 . 1 1 68 68 ASP CA C 68 57.800 57.800 56.985 0.815 18134 3381 1 10 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.772 0.618 18134 3382 1 10 . 1 1 68 68 ASP H H 68 7.400 7.400 7.754 -0.354 18134 3383 1 10 . 1 1 69 69 LEU N N 69 116.950 116.950 118.837 -1.887 18134 3384 1 10 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.991 0.149 18134 3385 1 10 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.688 -0.158 18134 3386 1 10 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.570 -0.010 18134 3387 1 10 . 1 1 69 69 LEU H H 69 7.180 7.180 7.686 -0.506 18134 3388 1 10 . 1 1 70 70 ARG N N 70 123.140 123.140 119.774 3.366 18134 3389 1 10 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.072 -0.152 18134 3390 1 10 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.951 0.829 18134 3391 1 10 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.204 0.016 18134 3392 1 10 . 1 1 70 70 ARG H H 70 7.990 7.990 8.161 -0.171 18134 3393 1 10 . 1 1 71 71 ASP N N 71 121.960 121.960 118.369 3.591 18134 3394 1 10 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.447 0.003 18134 3395 1 10 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.808 0.552 18134 3396 1 10 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.909 -0.359 18134 3397 1 10 . 1 1 71 71 ASP H H 71 8.460 8.460 8.206 0.254 18134 3398 1 10 . 1 1 72 72 ILE N N 72 112.900 112.900 112.564 0.336 18134 3399 1 10 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.150 0.340 18134 3400 1 10 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.232 -0.272 18134 3401 1 10 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.496 -0.196 18134 3402 1 10 . 1 1 72 72 ILE H H 72 7.180 7.180 7.362 -0.182 18134 3403 1 10 . 1 1 73 73 GLY N N 73 108.400 108.400 107.132 1.268 18134 3404 1 10 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.813 1.337 18134 3405 1 10 . 1 1 73 73 GLY H H 73 7.650 7.650 7.314 0.336 18134 3406 1 10 . 1 1 74 74 ILE N N 74 123.110 123.110 124.842 -1.732 18134 3407 1 10 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.183 0.947 18134 3408 1 10 . 1 1 74 74 ILE CA C 74 61.230 61.230 61.875 -0.645 18134 3409 1 10 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.606 -2.166 18134 3410 1 10 . 1 1 74 74 ILE H H 74 7.860 7.860 7.624 0.236 18134 3411 1 10 . 1 1 75 75 SER HA H 75 3.820 3.820 4.608 -0.788 18134 3412 1 10 . 1 1 75 75 SER CA C 75 59.540 59.540 56.679 2.861 18134 3413 1 10 . 1 1 75 75 SER CB C 75 63.630 63.630 64.047 -0.417 18134 3414 1 10 . 1 1 76 76 ASP N N 76 127.640 127.640 123.666 3.974 18134 3415 1 10 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.877 -0.077 18134 3416 1 10 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.939 0.361 18134 3417 1 10 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.441 -0.401 18134 3418 1 10 . 1 1 76 76 ASP H H 76 8.000 8.000 8.011 -0.011 18134 3419 1 10 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.300 -0.310 18134 3420 1 10 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.391 0.189 18134 3421 1 10 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.036 2.404 18134 3422 1 10 . 1 1 78 78 GLN N N 78 120.390 120.390 116.158 4.232 18134 3423 1 10 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.128 0.022 18134 3424 1 10 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.083 1.097 18134 3425 1 10 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.820 -0.020 18134 3426 1 10 . 1 1 78 78 GLN H H 78 8.200 8.200 8.849 -0.649 18134 3427 1 10 . 1 1 79 79 HIS N N 79 123.160 123.160 116.246 6.914 18134 3428 1 10 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.622 -0.222 18134 3429 1 10 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.794 0.696 18134 3430 1 10 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.541 0.639 18134 3431 1 10 . 1 1 79 79 HIS H H 79 8.060 8.060 7.855 0.205 18134 3432 1 10 . 1 1 80 80 ARG N N 80 118.250 118.250 120.495 -2.245 18134 3433 1 10 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.089 -0.329 18134 3434 1 10 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.981 1.859 18134 3435 1 10 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.442 1.338 18134 3436 1 10 . 1 1 80 80 ARG H H 80 8.060 8.060 8.523 -0.463 18134 3437 1 10 . 1 1 81 81 ARG N N 81 118.850 118.850 119.035 -0.185 18134 3438 1 10 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.060 -0.130 18134 3439 1 10 . 1 1 81 81 ARG CA C 81 60.270 60.270 59.232 1.038 18134 3440 1 10 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.137 0.083 18134 3441 1 10 . 1 1 81 81 ARG H H 81 7.700 7.700 8.243 -0.543 18134 3442 1 10 . 1 1 82 82 LYS N N 82 121.700 121.700 119.926 1.774 18134 3443 1 10 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.064 -0.014 18134 3444 1 10 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.661 -0.001 18134 3445 1 10 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.965 1.145 18134 3446 1 10 . 1 1 82 82 LYS H H 82 8.030 8.030 7.735 0.295 18134 3447 1 10 . 1 1 83 83 LEU N N 83 122.310 122.310 120.203 2.107 18134 3448 1 10 . 1 1 83 83 LEU HA H 83 3.810 3.810 3.972 -0.162 18134 3449 1 10 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.877 0.583 18134 3450 1 10 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.857 0.793 18134 3451 1 10 . 1 1 83 83 LEU H H 83 8.130 8.130 7.710 0.420 18134 3452 1 10 . 1 1 84 84 LEU N N 84 119.760 119.760 118.109 1.651 18134 3453 1 10 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.150 -0.180 18134 3454 1 10 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.367 0.973 18134 3455 1 10 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.496 0.544 18134 3456 1 10 . 1 1 84 84 LEU H H 84 8.030 8.030 7.589 0.441 18134 3457 1 10 . 1 1 85 85 GLN N N 85 119.520 119.520 119.614 -0.094 18134 3458 1 10 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.168 -0.168 18134 3459 1 10 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.796 0.204 18134 3460 1 10 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.529 0.361 18134 3461 1 10 . 1 1 85 85 GLN H H 85 8.340 8.340 7.521 0.819 18134 3462 1 10 . 1 1 86 86 ALA N N 86 124.280 124.280 120.758 3.522 18134 3463 1 10 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.424 -0.134 18134 3464 1 10 . 1 1 86 86 ALA CA C 86 55.200 55.200 53.900 1.300 18134 3465 1 10 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.684 0.666 18134 3466 1 10 . 1 1 86 86 ALA H H 86 8.320 8.320 8.249 0.071 18134 3467 1 10 . 1 1 87 87 ALA N N 87 124.840 124.840 121.630 3.210 18134 3468 1 10 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.181 -0.131 18134 3469 1 10 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.108 1.212 18134 3470 1 10 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.201 -1.051 18134 3471 1 10 . 1 1 87 87 ALA H H 87 8.770 8.770 7.711 1.059 18134 3472 1 10 . 1 1 88 88 ARG N N 88 118.020 118.020 116.815 1.205 18134 3473 1 10 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.162 0.078 18134 3474 1 10 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.156 -0.066 18134 3475 1 10 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.108 0.332 18134 3476 1 10 . 1 1 88 88 ARG H H 88 8.010 8.010 7.794 0.216 18134 3477 1 10 . 1 1 89 89 SER N N 89 115.060 115.060 113.409 1.651 18134 3478 1 10 . 1 1 89 89 SER HA H 89 4.530 4.530 4.312 0.218 18134 3479 1 10 . 1 1 89 89 SER CA C 89 58.630 58.630 59.336 -0.706 18134 3480 1 10 . 1 1 89 89 SER CB C 89 64.370 64.370 63.534 0.836 18134 3481 1 10 . 1 1 89 89 SER H H 89 7.620 7.620 7.762 -0.142 18134 3482 1 10 . 1 1 90 90 LEU N N 90 126.540 126.540 123.566 2.974 18134 3483 1 10 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.315 0.095 18134 3484 1 10 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.499 -0.029 18134 3485 1 10 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.502 -0.062 18134 3486 1 10 . 1 1 90 90 LEU H H 90 7.350 7.350 7.211 0.139 18134 3487 1 10 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.522 -0.132 18134 3488 1 10 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.331 0.949 18134 3489 1 10 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.197 0.313 18134 3490 1 10 . 1 1 92 92 LYS N N 92 122.480 122.480 119.448 3.032 18134 3491 1 10 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.503 -0.183 18134 3492 1 10 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.479 0.801 18134 3493 1 10 . 1 1 92 92 LYS CB C 92 33.350 33.350 33.195 0.155 18134 3494 1 10 . 1 1 92 92 LYS H H 92 8.330 8.330 8.170 0.160 18134 3495 1 10 . 1 1 93 93 VAL N N 93 122.310 122.310 121.289 1.021 18134 3496 1 10 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.227 -0.157 18134 3497 1 10 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.785 1.345 18134 3498 1 10 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.023 -0.793 18134 3499 1 10 . 1 1 93 93 VAL H H 93 8.060 8.060 8.424 -0.364 18134 3500 1 10 . 1 1 94 94 LYS N N 94 127.330 127.330 128.018 -0.688 18134 3501 1 10 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.346 -0.056 18134 3502 1 10 . 1 1 94 94 LYS CA C 94 56.530 56.530 55.687 0.843 18134 3503 1 10 . 1 1 94 94 LYS CB C 94 33.470 33.470 29.959 3.511 18134 3504 1 10 . 1 1 94 94 LYS H H 94 8.340 8.340 8.688 -0.348 18134 3505 1 10 . 1 1 95 95 ALA N N 95 127.620 127.620 124.431 3.189 18134 3506 1 10 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.382 -0.112 18134 3507 1 10 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.470 0.510 18134 3508 1 10 . 1 1 95 95 ALA CB C 95 19.350 19.350 18.876 0.474 18134 3509 1 10 . 1 1 95 95 ALA H H 95 8.290 8.290 7.945 0.345 18134 3510 1 10 . 1 1 96 96 LEU N N 96 123.670 123.670 120.383 3.287 18134 3511 1 10 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.650 -0.350 18134 3512 1 10 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.508 2.022 18134 3513 1 10 . 1 1 96 96 LEU CB C 96 42.650 42.650 41.611 1.039 18134 3514 1 10 . 1 1 96 96 LEU H H 96 8.240 8.240 8.217 0.023 18134 3515 1 10 . 1 1 97 97 GLY N N 97 111.540 111.540 108.337 3.203 18134 3516 1 10 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.708 1.072 18134 3517 1 10 . 1 1 97 97 GLY H H 97 8.400 8.400 8.056 0.344 18134 3518 1 10 . 1 1 98 98 TYR N N 98 122.570 122.570 119.788 2.782 18134 3519 1 10 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.526 0.064 18134 3520 1 10 . 1 1 98 98 TYR CA C 98 58.340 58.340 59.550 -1.210 18134 3521 1 10 . 1 1 98 98 TYR CB C 98 39.150 39.150 38.262 0.888 18134 3522 1 10 . 1 1 98 98 TYR H H 98 8.060 8.060 8.174 -0.114 18134 3523 1 10 . 1 1 99 99 ASP N N 99 124.880 124.880 118.808 6.072 18134 3524 1 10 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.347 0.213 18134 3525 1 10 . 1 1 99 99 ASP CA C 99 55.400 55.400 56.043 -0.643 18134 3526 1 10 . 1 1 99 99 ASP CB C 99 41.650 41.650 40.490 1.160 18134 3527 1 10 . 1 1 99 99 ASP H H 99 8.350 8.350 8.294 0.056 18134 3528 1 10 . 1 1 100 100 GLY N N 100 110.340 110.340 109.281 1.059 18134 3529 1 10 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.555 0.055 18134 3530 1 10 . 1 1 100 100 GLY H H 100 7.540 7.540 8.317 -0.777 18134 3531 1 11 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.455 0.055 18134 3532 1 11 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.439 1.961 18134 3533 1 11 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.813 0.337 18134 3534 1 11 . 1 1 23 23 SER N N 23 120.770 120.770 116.232 4.538 18134 3535 1 11 . 1 1 23 23 SER HA H 23 4.170 4.170 4.710 -0.540 18134 3536 1 11 . 1 1 23 23 SER H H 23 8.370 8.370 7.847 0.523 18134 3537 1 11 . 1 1 26 26 ARG N N 26 123.960 123.960 123.454 0.506 18134 3538 1 11 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.624 -0.204 18134 3539 1 11 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.878 0.522 18134 3540 1 11 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.502 -1.282 18134 3541 1 11 . 1 1 26 26 ARG H H 26 8.160 8.160 8.886 -0.726 18134 3542 1 11 . 1 1 27 27 THR N N 27 117.400 117.400 113.355 4.045 18134 3543 1 11 . 1 1 27 27 THR HA H 27 4.240 4.240 4.653 -0.413 18134 3544 1 11 . 1 1 27 27 THR CA C 27 61.710 61.710 61.984 -0.274 18134 3545 1 11 . 1 1 27 27 THR CB C 27 70.280 70.280 71.178 -0.898 18134 3546 1 11 . 1 1 27 27 THR H H 27 8.150 8.150 7.856 0.294 18134 3547 1 11 . 1 1 28 28 LEU N N 28 125.240 125.240 120.540 4.700 18134 3548 1 11 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.381 -0.081 18134 3549 1 11 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.962 0.838 18134 3550 1 11 . 1 1 28 28 LEU CB C 28 42.650 42.650 45.118 -2.468 18134 3551 1 11 . 1 1 28 28 LEU H H 28 8.230 8.230 8.007 0.223 18134 3552 1 11 . 1 1 29 29 GLU N N 29 123.420 123.420 119.917 3.503 18134 3553 1 11 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.193 0.107 18134 3554 1 11 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.158 -0.028 18134 3555 1 11 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.304 1.036 18134 3556 1 11 . 1 1 29 29 GLU H H 29 8.360 8.360 8.414 -0.054 18134 3557 1 11 . 1 1 30 30 GLN N N 30 122.830 122.830 117.111 5.719 18134 3558 1 11 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.641 -0.101 18134 3559 1 11 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.709 1.210 18134 3560 1 11 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.008 1.292 18134 3561 1 11 . 1 1 30 30 GLN H H 30 8.090 8.090 7.896 0.194 18134 3562 1 11 . 1 1 31 31 SER N N 31 120.590 120.590 118.543 2.047 18134 3563 1 11 . 1 1 31 31 SER HA H 31 4.700 4.700 4.488 0.212 18134 3564 1 11 . 1 1 31 31 SER CA C 31 57.610 57.610 57.567 0.043 18134 3565 1 11 . 1 1 31 31 SER CB C 31 65.900 65.900 64.259 1.641 18134 3566 1 11 . 1 1 31 31 SER H H 31 8.760 8.760 8.662 0.098 18134 3567 1 11 . 1 1 32 32 VAL N N 32 124.160 124.160 122.235 1.925 18134 3568 1 11 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.045 -0.275 18134 3569 1 11 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.190 0.440 18134 3570 1 11 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.904 0.366 18134 3571 1 11 . 1 1 32 32 VAL H H 32 9.030 9.030 8.941 0.089 18134 3572 1 11 . 1 1 33 33 GLY N N 33 110.070 110.070 107.203 2.867 18134 3573 1 11 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.876 0.324 18134 3574 1 11 . 1 1 33 33 GLY H H 33 9.020 9.020 8.223 0.797 18134 3575 1 11 . 1 1 34 34 GLU N N 34 124.850 124.850 123.317 1.533 18134 3576 1 11 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.064 0.016 18134 3577 1 11 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.949 0.471 18134 3578 1 11 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.892 1.448 18134 3579 1 11 . 1 1 34 34 GLU H H 34 7.960 7.960 8.383 -0.423 18134 3580 1 11 . 1 1 35 35 TRP N N 35 125.670 125.670 121.300 4.370 18134 3581 1 11 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.382 -0.142 18134 3582 1 11 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.001 1.710 18134 3583 1 11 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.017 -0.737 18134 3584 1 11 . 1 1 35 35 TRP H H 35 8.580 8.580 8.349 0.231 18134 3585 1 11 . 1 1 36 36 LEU N N 36 121.440 121.440 118.620 2.820 18134 3586 1 11 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.415 -0.065 18134 3587 1 11 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.819 -0.449 18134 3588 1 11 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.245 0.675 18134 3589 1 11 . 1 1 36 36 LEU H H 36 9.130 9.130 8.522 0.608 18134 3590 1 11 . 1 1 37 37 GLU N N 37 122.290 122.290 119.493 2.797 18134 3591 1 11 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.995 0.015 18134 3592 1 11 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.300 -0.240 18134 3593 1 11 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.286 -0.226 18134 3594 1 11 . 1 1 37 37 GLU H H 37 8.250 8.250 8.468 -0.218 18134 3595 1 11 . 1 1 38 38 SER N N 38 118.850 118.850 112.730 6.120 18134 3596 1 11 . 1 1 38 38 SER HA H 38 4.280 4.280 4.297 -0.017 18134 3597 1 11 . 1 1 38 38 SER CA C 38 61.820 61.820 60.513 1.308 18134 3598 1 11 . 1 1 38 38 SER CB C 38 63.650 63.650 63.351 0.299 18134 3599 1 11 . 1 1 38 38 SER H H 38 7.850 7.850 7.897 -0.047 18134 3600 1 11 . 1 1 39 39 ILE N N 39 115.190 115.190 112.080 3.110 18134 3601 1 11 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.418 0.092 18134 3602 1 11 . 1 1 39 39 ILE CA C 39 60.990 60.990 61.090 -0.100 18134 3603 1 11 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.450 -0.790 18134 3604 1 11 . 1 1 39 39 ILE H H 39 6.940 6.940 7.177 -0.237 18134 3605 1 11 . 1 1 40 40 GLY N N 40 112.250 112.250 108.545 3.705 18134 3606 1 11 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.445 1.735 18134 3607 1 11 . 1 1 40 40 GLY H H 40 7.630 7.630 7.986 -0.356 18134 3608 1 11 . 1 1 41 41 LEU N N 41 121.470 121.470 120.170 1.300 18134 3609 1 11 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.526 0.244 18134 3610 1 11 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.348 0.282 18134 3611 1 11 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.475 0.655 18134 3612 1 11 . 1 1 41 41 LEU H H 41 7.810 7.810 8.283 -0.473 18134 3613 1 11 . 1 1 42 42 GLN N N 42 122.310 122.310 119.959 2.351 18134 3614 1 11 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.864 0.026 18134 3615 1 11 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.481 -0.071 18134 3616 1 11 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.275 -0.715 18134 3617 1 11 . 1 1 42 42 GLN H H 42 9.070 9.070 7.918 1.152 18134 3618 1 11 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.063 0.177 18134 3619 1 11 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.406 -0.406 18134 3620 1 11 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.747 -0.427 18134 3621 1 11 . 1 1 44 44 TYR N N 44 121.180 121.180 120.147 1.033 18134 3622 1 11 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.591 0.199 18134 3623 1 11 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.343 1.237 18134 3624 1 11 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.819 0.481 18134 3625 1 11 . 1 1 44 44 TYR H H 44 7.640 7.640 8.052 -0.412 18134 3626 1 11 . 1 1 45 45 GLU N N 45 124.810 124.810 120.997 3.813 18134 3627 1 11 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.892 -0.282 18134 3628 1 11 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.900 1.690 18134 3629 1 11 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.424 0.666 18134 3630 1 11 . 1 1 45 45 GLU H H 45 7.850 7.850 7.730 0.120 18134 3631 1 11 . 1 1 46 46 SER N N 46 114.660 114.660 115.268 -0.608 18134 3632 1 11 . 1 1 46 46 SER HA H 46 4.000 4.000 4.151 -0.151 18134 3633 1 11 . 1 1 46 46 SER CA C 46 62.920 62.920 61.346 1.574 18134 3634 1 11 . 1 1 46 46 SER H H 46 8.790 8.790 8.246 0.544 18134 3635 1 11 . 1 1 47 47 LYS N N 47 122.810 122.810 121.886 0.924 18134 3636 1 11 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.197 -0.077 18134 3637 1 11 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.158 1.402 18134 3638 1 11 . 1 1 47 47 LYS CB C 47 32.950 32.950 31.990 0.960 18134 3639 1 11 . 1 1 47 47 LYS H H 47 7.810 7.810 7.578 0.232 18134 3640 1 11 . 1 1 48 48 LEU N N 48 121.420 121.420 119.539 1.881 18134 3641 1 11 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.297 -0.087 18134 3642 1 11 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.589 2.831 18134 3643 1 11 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.939 -1.589 18134 3644 1 11 . 1 1 48 48 LEU H H 48 8.010 8.010 7.643 0.367 18134 3645 1 11 . 1 1 49 49 LEU N N 49 121.260 121.260 120.516 0.744 18134 3646 1 11 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.460 -0.570 18134 3647 1 11 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.595 1.465 18134 3648 1 11 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.802 -0.882 18134 3649 1 11 . 1 1 49 49 LEU H H 49 8.520 8.520 7.643 0.877 18134 3650 1 11 . 1 1 50 50 LEU N N 50 121.260 121.260 120.412 0.848 18134 3651 1 11 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.218 0.002 18134 3652 1 11 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.708 0.302 18134 3653 1 11 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.432 0.728 18134 3654 1 11 . 1 1 50 50 LEU H H 50 8.530 8.530 8.644 -0.114 18134 3655 1 11 . 1 1 51 51 ASN N N 51 116.660 116.660 117.180 -0.520 18134 3656 1 11 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.792 0.048 18134 3657 1 11 . 1 1 51 51 ASN CA C 51 54.110 54.110 52.946 1.164 18134 3658 1 11 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.800 2.160 18134 3659 1 11 . 1 1 51 51 ASN H H 51 7.280 7.280 7.712 -0.431 18134 3660 1 11 . 1 1 52 52 GLY N N 52 107.530 107.530 107.469 0.061 18134 3661 1 11 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.137 -0.007 18134 3662 1 11 . 1 1 52 52 GLY H H 52 7.720 7.720 7.948 -0.228 18134 3663 1 11 . 1 1 53 53 PHE N N 53 123.430 123.430 119.207 4.223 18134 3664 1 11 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.840 -0.040 18134 3665 1 11 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.365 0.285 18134 3666 1 11 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.965 -1.865 18134 3667 1 11 . 1 1 53 53 PHE H H 53 8.210 8.210 7.694 0.516 18134 3668 1 11 . 1 1 54 54 ASP N N 54 117.170 117.170 120.555 -3.385 18134 3669 1 11 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.542 0.028 18134 3670 1 11 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.426 -1.436 18134 3671 1 11 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.911 0.889 18134 3672 1 11 . 1 1 54 54 ASP H H 54 7.720 7.720 8.333 -0.613 18134 3673 1 11 . 1 1 55 55 ASP N N 55 121.390 121.390 120.276 1.114 18134 3674 1 11 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.558 0.102 18134 3675 1 11 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.464 -0.194 18134 3676 1 11 . 1 1 55 55 ASP H H 55 7.830 7.830 8.057 -0.227 18134 3677 1 11 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.764 -0.354 18134 3678 1 11 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.639 1.421 18134 3679 1 11 . 1 1 56 56 VAL CB C 56 31.780 31.780 32.001 -0.221 18134 3680 1 11 . 1 1 56 56 VAL H H 56 8.800 8.800 8.302 0.498 18134 3681 1 11 . 1 1 57 57 HIS N N 57 121.390 121.390 114.039 7.351 18134 3682 1 11 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.537 -0.337 18134 3683 1 11 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.816 0.314 18134 3684 1 11 . 1 1 57 57 HIS H H 57 8.390 8.390 8.175 0.215 18134 3685 1 11 . 1 1 58 58 PHE N N 58 121.980 121.980 118.595 3.385 18134 3686 1 11 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.507 -0.147 18134 3687 1 11 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.861 2.289 18134 3688 1 11 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.371 -1.501 18134 3689 1 11 . 1 1 58 58 PHE H H 58 7.930 7.930 7.489 0.441 18134 3690 1 11 . 1 1 59 59 LEU N N 59 121.800 121.800 120.306 1.494 18134 3691 1 11 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.079 -0.039 18134 3692 1 11 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.581 0.149 18134 3693 1 11 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.260 0.660 18134 3694 1 11 . 1 1 59 59 LEU H H 59 7.730 7.730 7.654 0.076 18134 3695 1 11 . 1 1 60 60 GLY N N 60 106.180 106.180 103.012 3.168 18134 3696 1 11 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.622 0.478 18134 3697 1 11 . 1 1 60 60 GLY H H 60 7.800 7.800 8.305 -0.505 18134 3698 1 11 . 1 1 61 61 SER N N 61 116.150 116.150 116.367 -0.217 18134 3699 1 11 . 1 1 61 61 SER HA H 61 4.770 4.770 4.249 0.521 18134 3700 1 11 . 1 1 61 61 SER CA C 61 59.370 59.370 59.413 -0.043 18134 3701 1 11 . 1 1 61 61 SER CB C 61 64.450 64.450 63.618 0.832 18134 3702 1 11 . 1 1 61 61 SER H H 61 7.610 7.610 7.635 -0.025 18134 3703 1 11 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.454 0.216 18134 3704 1 11 . 1 1 62 62 ASN CA C 62 53.870 53.870 53.915 -0.045 18134 3705 1 11 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.274 -0.124 18134 3706 1 11 . 1 1 63 63 VAL N N 63 120.030 120.030 123.097 -3.067 18134 3707 1 11 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.790 0.300 18134 3708 1 11 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.592 -1.912 18134 3709 1 11 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.200 0.670 18134 3710 1 11 . 1 1 63 63 VAL H H 63 7.770 7.770 8.518 -0.748 18134 3711 1 11 . 1 1 64 64 MET N N 64 125.400 125.400 116.193 9.207 18134 3712 1 11 . 1 1 64 64 MET HA H 64 4.460 4.460 4.191 0.269 18134 3713 1 11 . 1 1 64 64 MET CA C 64 55.610 55.610 55.678 -0.068 18134 3714 1 11 . 1 1 64 64 MET CB C 64 34.400 34.400 31.161 3.239 18134 3715 1 11 . 1 1 64 64 MET H H 64 7.900 7.900 7.871 0.029 18134 3716 1 11 . 1 1 65 65 GLU N N 65 124.210 124.210 118.793 5.417 18134 3717 1 11 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.356 0.324 18134 3718 1 11 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.790 -1.070 18134 3719 1 11 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.410 1.590 18134 3720 1 11 . 1 1 65 65 GLU H H 65 8.810 8.810 8.150 0.660 18134 3721 1 11 . 1 1 66 66 GLU N N 66 125.500 125.500 120.796 4.704 18134 3722 1 11 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.845 -0.185 18134 3723 1 11 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.724 1.896 18134 3724 1 11 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.279 -0.028 18134 3725 1 11 . 1 1 66 66 GLU H H 66 9.290 9.290 8.881 0.409 18134 3726 1 11 . 1 1 67 67 GLN N N 67 119.780 119.780 118.940 0.840 18134 3727 1 11 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.034 -0.294 18134 3728 1 11 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.404 -0.344 18134 3729 1 11 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.115 0.965 18134 3730 1 11 . 1 1 67 67 GLN H H 67 9.090 9.090 8.520 0.570 18134 3731 1 11 . 1 1 68 68 ASP N N 68 119.450 119.450 120.135 -0.685 18134 3732 1 11 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.460 -0.000 18134 3733 1 11 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.075 0.725 18134 3734 1 11 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.497 0.893 18134 3735 1 11 . 1 1 68 68 ASP H H 68 7.400 7.400 7.648 -0.248 18134 3736 1 11 . 1 1 69 69 LEU N N 69 116.950 116.950 118.651 -1.701 18134 3737 1 11 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.968 0.172 18134 3738 1 11 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.995 -0.465 18134 3739 1 11 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.384 0.176 18134 3740 1 11 . 1 1 69 69 LEU H H 69 7.180 7.180 7.538 -0.358 18134 3741 1 11 . 1 1 70 70 ARG N N 70 123.140 123.140 119.865 3.275 18134 3742 1 11 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.059 -0.139 18134 3743 1 11 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.888 0.892 18134 3744 1 11 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.274 -0.054 18134 3745 1 11 . 1 1 70 70 ARG H H 70 7.990 7.990 8.111 -0.121 18134 3746 1 11 . 1 1 71 71 ASP N N 71 121.960 121.960 118.542 3.418 18134 3747 1 11 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.435 0.015 18134 3748 1 11 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.833 0.527 18134 3749 1 11 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.920 -0.371 18134 3750 1 11 . 1 1 71 71 ASP H H 71 8.460 8.460 8.264 0.196 18134 3751 1 11 . 1 1 72 72 ILE N N 72 112.900 112.900 111.321 1.579 18134 3752 1 11 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.372 0.118 18134 3753 1 11 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.209 -0.249 18134 3754 1 11 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.670 -0.370 18134 3755 1 11 . 1 1 72 72 ILE H H 72 7.180 7.180 7.384 -0.204 18134 3756 1 11 . 1 1 73 73 GLY N N 73 108.400 108.400 107.055 1.345 18134 3757 1 11 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.802 1.348 18134 3758 1 11 . 1 1 73 73 GLY H H 73 7.650 7.650 7.258 0.392 18134 3759 1 11 . 1 1 74 74 ILE N N 74 123.110 123.110 124.769 -1.659 18134 3760 1 11 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.465 0.665 18134 3761 1 11 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.019 -0.789 18134 3762 1 11 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.375 -1.935 18134 3763 1 11 . 1 1 74 74 ILE H H 74 7.860 7.860 7.486 0.374 18134 3764 1 11 . 1 1 75 75 SER HA H 75 3.820 3.820 4.557 -0.737 18134 3765 1 11 . 1 1 75 75 SER CA C 75 59.540 59.540 57.788 1.752 18134 3766 1 11 . 1 1 75 75 SER CB C 75 63.630 63.630 64.453 -0.823 18134 3767 1 11 . 1 1 76 76 ASP N N 76 127.640 127.640 123.598 4.042 18134 3768 1 11 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.726 0.074 18134 3769 1 11 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.754 -0.454 18134 3770 1 11 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.713 0.327 18134 3771 1 11 . 1 1 76 76 ASP H H 76 8.000 8.000 8.032 -0.032 18134 3772 1 11 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.234 -0.244 18134 3773 1 11 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.657 -0.077 18134 3774 1 11 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.145 2.295 18134 3775 1 11 . 1 1 78 78 GLN N N 78 120.390 120.390 116.285 4.105 18134 3776 1 11 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.211 -0.061 18134 3777 1 11 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.111 1.069 18134 3778 1 11 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.445 -0.645 18134 3779 1 11 . 1 1 78 78 GLN H H 78 8.200 8.200 8.938 -0.738 18134 3780 1 11 . 1 1 79 79 HIS N N 79 123.160 123.160 116.407 6.753 18134 3781 1 11 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.620 -0.220 18134 3782 1 11 . 1 1 79 79 HIS CA C 79 57.490 57.490 57.187 0.303 18134 3783 1 11 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.364 0.816 18134 3784 1 11 . 1 1 79 79 HIS H H 79 8.060 8.060 7.905 0.154 18134 3785 1 11 . 1 1 80 80 ARG N N 80 118.250 118.250 120.497 -2.247 18134 3786 1 11 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.106 -0.346 18134 3787 1 11 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.847 1.993 18134 3788 1 11 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.455 1.325 18134 3789 1 11 . 1 1 80 80 ARG H H 80 8.060 8.060 8.464 -0.404 18134 3790 1 11 . 1 1 81 81 ARG N N 81 118.850 118.850 118.883 -0.033 18134 3791 1 11 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.027 -0.097 18134 3792 1 11 . 1 1 81 81 ARG CA C 81 60.270 60.270 59.010 1.260 18134 3793 1 11 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.993 0.227 18134 3794 1 11 . 1 1 81 81 ARG H H 81 7.700 7.700 8.374 -0.674 18134 3795 1 11 . 1 1 82 82 LYS N N 82 121.700 121.700 119.912 1.788 18134 3796 1 11 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.068 -0.018 18134 3797 1 11 . 1 1 82 82 LYS CA C 82 59.660 59.660 60.155 -0.495 18134 3798 1 11 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.893 1.217 18134 3799 1 11 . 1 1 82 82 LYS H H 82 8.030 8.030 7.880 0.150 18134 3800 1 11 . 1 1 83 83 LEU N N 83 122.310 122.310 119.982 2.328 18134 3801 1 11 . 1 1 83 83 LEU HA H 83 3.810 3.810 3.996 -0.186 18134 3802 1 11 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.807 0.653 18134 3803 1 11 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.920 0.730 18134 3804 1 11 . 1 1 83 83 LEU H H 83 8.130 8.130 7.631 0.499 18134 3805 1 11 . 1 1 84 84 LEU N N 84 119.760 119.760 119.118 0.642 18134 3806 1 11 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.142 -0.172 18134 3807 1 11 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.422 0.918 18134 3808 1 11 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.620 0.420 18134 3809 1 11 . 1 1 84 84 LEU H H 84 8.030 8.030 7.590 0.440 18134 3810 1 11 . 1 1 85 85 GLN N N 85 119.520 119.520 119.384 0.136 18134 3811 1 11 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.072 -0.072 18134 3812 1 11 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.938 0.062 18134 3813 1 11 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.084 -0.194 18134 3814 1 11 . 1 1 85 85 GLN H H 85 8.340 8.340 8.268 0.072 18134 3815 1 11 . 1 1 86 86 ALA N N 86 124.280 124.280 120.368 3.912 18134 3816 1 11 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.212 0.078 18134 3817 1 11 . 1 1 86 86 ALA CA C 86 55.200 55.200 53.825 1.375 18134 3818 1 11 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.991 0.359 18134 3819 1 11 . 1 1 86 86 ALA H H 86 8.320 8.320 8.536 -0.216 18134 3820 1 11 . 1 1 87 87 ALA N N 87 124.840 124.840 120.269 4.571 18134 3821 1 11 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.098 -0.048 18134 3822 1 11 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.830 1.490 18134 3823 1 11 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.193 -1.043 18134 3824 1 11 . 1 1 87 87 ALA H H 87 8.770 8.770 7.590 1.180 18134 3825 1 11 . 1 1 88 88 ARG N N 88 118.020 118.020 118.530 -0.510 18134 3826 1 11 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.194 0.046 18134 3827 1 11 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.233 -0.143 18134 3828 1 11 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.304 0.136 18134 3829 1 11 . 1 1 88 88 ARG H H 88 8.010 8.010 7.985 0.025 18134 3830 1 11 . 1 1 89 89 SER N N 89 115.060 115.060 113.961 1.099 18134 3831 1 11 . 1 1 89 89 SER HA H 89 4.530 4.530 4.320 0.210 18134 3832 1 11 . 1 1 89 89 SER CA C 89 58.630 58.630 59.789 -1.159 18134 3833 1 11 . 1 1 89 89 SER CB C 89 64.370 64.370 63.694 0.676 18134 3834 1 11 . 1 1 89 89 SER H H 89 7.620 7.620 7.734 -0.114 18134 3835 1 11 . 1 1 90 90 LEU N N 90 126.540 126.540 122.988 3.552 18134 3836 1 11 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.227 0.183 18134 3837 1 11 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.983 -0.513 18134 3838 1 11 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.526 -0.086 18134 3839 1 11 . 1 1 90 90 LEU H H 90 7.350 7.350 7.029 0.321 18134 3840 1 11 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.282 0.108 18134 3841 1 11 . 1 1 91 91 PRO CA C 91 63.280 63.280 63.542 -0.262 18134 3842 1 11 . 1 1 91 91 PRO CB C 91 32.510 32.510 31.811 0.698 18134 3843 1 11 . 1 1 92 92 LYS N N 92 122.480 122.480 118.849 3.631 18134 3844 1 11 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.072 0.248 18134 3845 1 11 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.042 0.238 18134 3846 1 11 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.291 1.059 18134 3847 1 11 . 1 1 92 92 LYS H H 92 8.330 8.330 7.513 0.817 18134 3848 1 11 . 1 1 93 93 VAL N N 93 122.310 122.310 120.743 1.567 18134 3849 1 11 . 1 1 93 93 VAL HA H 93 4.070 4.070 3.851 0.219 18134 3850 1 11 . 1 1 93 93 VAL CA C 93 63.130 63.130 63.719 -0.589 18134 3851 1 11 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.330 0.900 18134 3852 1 11 . 1 1 93 93 VAL H H 93 8.060 8.060 8.304 -0.244 18134 3853 1 11 . 1 1 94 94 LYS N N 94 127.330 127.330 125.530 1.800 18134 3854 1 11 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.342 -0.052 18134 3855 1 11 . 1 1 94 94 LYS CA C 94 56.530 56.530 55.501 1.029 18134 3856 1 11 . 1 1 94 94 LYS CB C 94 33.470 33.470 34.995 -1.524 18134 3857 1 11 . 1 1 94 94 LYS H H 94 8.340 8.340 8.071 0.269 18134 3858 1 11 . 1 1 95 95 ALA N N 95 127.620 127.620 124.556 3.064 18134 3859 1 11 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.466 -0.197 18134 3860 1 11 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.322 0.658 18134 3861 1 11 . 1 1 95 95 ALA CB C 95 19.350 19.350 16.744 2.606 18134 3862 1 11 . 1 1 95 95 ALA H H 95 8.290 8.290 8.308 -0.018 18134 3863 1 11 . 1 1 96 96 LEU N N 96 123.670 123.670 118.753 4.917 18134 3864 1 11 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.587 -0.287 18134 3865 1 11 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.301 1.229 18134 3866 1 11 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.729 -0.079 18134 3867 1 11 . 1 1 96 96 LEU H H 96 8.240 8.240 7.699 0.541 18134 3868 1 11 . 1 1 97 97 GLY N N 97 111.540 111.540 107.266 4.274 18134 3869 1 11 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.964 0.816 18134 3870 1 11 . 1 1 97 97 GLY H H 97 8.400 8.400 8.102 0.298 18134 3871 1 11 . 1 1 98 98 TYR N N 98 122.570 122.570 122.008 0.562 18134 3872 1 11 . 1 1 98 98 TYR HA H 98 4.590 4.590 3.986 0.604 18134 3873 1 11 . 1 1 98 98 TYR CA C 98 58.340 58.340 59.266 -0.926 18134 3874 1 11 . 1 1 98 98 TYR CB C 98 39.150 39.150 38.609 0.541 18134 3875 1 11 . 1 1 98 98 TYR H H 98 8.060 8.060 8.468 -0.408 18134 3876 1 11 . 1 1 99 99 ASP N N 99 124.880 124.880 118.666 6.214 18134 3877 1 11 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.477 0.083 18134 3878 1 11 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.911 0.489 18134 3879 1 11 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.103 0.547 18134 3880 1 11 . 1 1 99 99 ASP H H 99 8.350 8.350 8.318 0.032 18134 3881 1 11 . 1 1 100 100 GLY N N 100 110.340 110.340 107.812 2.528 18134 3882 1 11 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.278 0.332 18134 3883 1 11 . 1 1 100 100 GLY H H 100 7.540 7.540 9.095 -1.555 18134 3884 1 12 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.118 0.392 18134 3885 1 12 . 1 1 22 22 ILE CA C 22 63.400 63.400 62.276 1.124 18134 3886 1 12 . 1 1 22 22 ILE CB C 22 39.150 39.150 37.738 1.412 18134 3887 1 12 . 1 1 23 23 SER N N 23 120.770 120.770 116.077 4.693 18134 3888 1 12 . 1 1 23 23 SER HA H 23 4.170 4.170 4.567 -0.397 18134 3889 1 12 . 1 1 23 23 SER H H 23 8.370 8.370 7.665 0.705 18134 3890 1 12 . 1 1 26 26 ARG N N 26 123.960 123.960 118.158 5.802 18134 3891 1 12 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.448 -0.028 18134 3892 1 12 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.110 0.290 18134 3893 1 12 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.592 -1.372 18134 3894 1 12 . 1 1 26 26 ARG H H 26 8.160 8.160 8.408 -0.248 18134 3895 1 12 . 1 1 27 27 THR N N 27 117.400 117.400 112.939 4.461 18134 3896 1 12 . 1 1 27 27 THR HA H 27 4.240 4.240 4.637 -0.397 18134 3897 1 12 . 1 1 27 27 THR CA C 27 61.710 61.710 61.027 0.683 18134 3898 1 12 . 1 1 27 27 THR CB C 27 70.280 70.280 71.143 -0.863 18134 3899 1 12 . 1 1 27 27 THR H H 27 8.150 8.150 7.799 0.351 18134 3900 1 12 . 1 1 28 28 LEU N N 28 125.240 125.240 121.493 3.747 18134 3901 1 12 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.514 -0.214 18134 3902 1 12 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.494 1.306 18134 3903 1 12 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.334 0.316 18134 3904 1 12 . 1 1 28 28 LEU H H 28 8.230 8.230 8.435 -0.205 18134 3905 1 12 . 1 1 29 29 GLU N N 29 123.420 123.420 117.573 5.847 18134 3906 1 12 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.087 0.213 18134 3907 1 12 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.624 0.506 18134 3908 1 12 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.108 1.232 18134 3909 1 12 . 1 1 29 29 GLU H H 29 8.360 8.360 8.199 0.161 18134 3910 1 12 . 1 1 30 30 GLN N N 30 122.830 122.830 118.636 4.194 18134 3911 1 12 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.221 0.319 18134 3912 1 12 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.605 -0.686 18134 3913 1 12 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.834 1.466 18134 3914 1 12 . 1 1 30 30 GLN H H 30 8.090 8.090 8.077 0.013 18134 3915 1 12 . 1 1 31 31 SER N N 31 120.590 120.590 112.266 8.324 18134 3916 1 12 . 1 1 31 31 SER HA H 31 4.700 4.700 4.549 0.151 18134 3917 1 12 . 1 1 31 31 SER CA C 31 57.610 57.610 56.780 0.830 18134 3918 1 12 . 1 1 31 31 SER CB C 31 65.900 65.900 64.579 1.321 18134 3919 1 12 . 1 1 31 31 SER H H 31 8.760 8.760 8.001 0.759 18134 3920 1 12 . 1 1 32 32 VAL N N 32 124.160 124.160 122.576 1.584 18134 3921 1 12 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.147 -0.377 18134 3922 1 12 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.626 1.004 18134 3923 1 12 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.609 0.661 18134 3924 1 12 . 1 1 32 32 VAL H H 32 9.030 9.030 8.980 0.050 18134 3925 1 12 . 1 1 33 33 GLY N N 33 110.070 110.070 107.601 2.469 18134 3926 1 12 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.845 0.355 18134 3927 1 12 . 1 1 33 33 GLY H H 33 9.020 9.020 8.630 0.390 18134 3928 1 12 . 1 1 34 34 GLU N N 34 124.850 124.850 122.674 2.176 18134 3929 1 12 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.143 -0.063 18134 3930 1 12 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.999 0.421 18134 3931 1 12 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.990 1.350 18134 3932 1 12 . 1 1 34 34 GLU H H 34 7.960 7.960 8.448 -0.488 18134 3933 1 12 . 1 1 35 35 TRP N N 35 125.670 125.670 121.417 4.253 18134 3934 1 12 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.318 -0.078 18134 3935 1 12 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.487 1.223 18134 3936 1 12 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.140 -0.859 18134 3937 1 12 . 1 1 35 35 TRP H H 35 8.580 8.580 8.273 0.307 18134 3938 1 12 . 1 1 36 36 LEU N N 36 121.440 121.440 117.428 4.012 18134 3939 1 12 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.387 -0.037 18134 3940 1 12 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.783 -0.413 18134 3941 1 12 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.301 0.619 18134 3942 1 12 . 1 1 36 36 LEU H H 36 9.130 9.130 8.463 0.667 18134 3943 1 12 . 1 1 37 37 GLU N N 37 122.290 122.290 119.788 2.502 18134 3944 1 12 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.999 0.011 18134 3945 1 12 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.286 -0.226 18134 3946 1 12 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.210 -0.150 18134 3947 1 12 . 1 1 37 37 GLU H H 37 8.250 8.250 8.432 -0.182 18134 3948 1 12 . 1 1 38 38 SER N N 38 118.850 118.850 112.711 6.139 18134 3949 1 12 . 1 1 38 38 SER HA H 38 4.280 4.280 4.321 -0.041 18134 3950 1 12 . 1 1 38 38 SER CA C 38 61.820 61.820 60.503 1.317 18134 3951 1 12 . 1 1 38 38 SER CB C 38 63.650 63.650 63.548 0.102 18134 3952 1 12 . 1 1 38 38 SER H H 38 7.850 7.850 7.848 0.002 18134 3953 1 12 . 1 1 39 39 ILE N N 39 115.190 115.190 112.523 2.667 18134 3954 1 12 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.355 0.155 18134 3955 1 12 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.918 0.072 18134 3956 1 12 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.394 -0.734 18134 3957 1 12 . 1 1 39 39 ILE H H 39 6.940 6.940 7.220 -0.280 18134 3958 1 12 . 1 1 40 40 GLY N N 40 112.250 112.250 109.002 3.248 18134 3959 1 12 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.513 1.667 18134 3960 1 12 . 1 1 40 40 GLY H H 40 7.630 7.630 7.924 -0.294 18134 3961 1 12 . 1 1 41 41 LEU N N 41 121.470 121.470 119.602 1.868 18134 3962 1 12 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.537 0.233 18134 3963 1 12 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.871 -0.241 18134 3964 1 12 . 1 1 41 41 LEU CB C 41 43.130 43.130 41.725 1.405 18134 3965 1 12 . 1 1 41 41 LEU H H 41 7.810 7.810 8.328 -0.518 18134 3966 1 12 . 1 1 42 42 GLN N N 42 122.310 122.310 120.061 2.249 18134 3967 1 12 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.876 0.014 18134 3968 1 12 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.465 -0.055 18134 3969 1 12 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.329 -0.769 18134 3970 1 12 . 1 1 42 42 GLN H H 42 9.070 9.070 7.928 1.142 18134 3971 1 12 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.064 0.176 18134 3972 1 12 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.227 -0.227 18134 3973 1 12 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.520 -0.200 18134 3974 1 12 . 1 1 44 44 TYR N N 44 121.180 121.180 120.712 0.468 18134 3975 1 12 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.490 0.300 18134 3976 1 12 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.755 1.825 18134 3977 1 12 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.958 0.342 18134 3978 1 12 . 1 1 44 44 TYR H H 44 7.640 7.640 8.069 -0.429 18134 3979 1 12 . 1 1 45 45 GLU N N 45 124.810 124.810 121.020 3.790 18134 3980 1 12 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.837 -0.227 18134 3981 1 12 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.952 1.638 18134 3982 1 12 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.143 0.947 18134 3983 1 12 . 1 1 45 45 GLU H H 45 7.850 7.850 7.712 0.138 18134 3984 1 12 . 1 1 46 46 SER N N 46 114.660 114.660 114.658 0.002 18134 3985 1 12 . 1 1 46 46 SER HA H 46 4.000 4.000 4.190 -0.190 18134 3986 1 12 . 1 1 46 46 SER CA C 46 62.920 62.920 61.307 1.613 18134 3987 1 12 . 1 1 46 46 SER H H 46 8.790 8.790 8.159 0.631 18134 3988 1 12 . 1 1 47 47 LYS N N 47 122.810 122.810 121.872 0.938 18134 3989 1 12 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.141 -0.021 18134 3990 1 12 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.848 0.712 18134 3991 1 12 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.394 0.556 18134 3992 1 12 . 1 1 47 47 LYS H H 47 7.810 7.810 7.717 0.093 18134 3993 1 12 . 1 1 48 48 LEU N N 48 121.420 121.420 119.627 1.793 18134 3994 1 12 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.272 -0.062 18134 3995 1 12 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.753 2.667 18134 3996 1 12 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.949 -1.599 18134 3997 1 12 . 1 1 48 48 LEU H H 48 8.010 8.010 7.710 0.300 18134 3998 1 12 . 1 1 49 49 LEU N N 49 121.260 121.260 120.949 0.311 18134 3999 1 12 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.391 -0.501 18134 4000 1 12 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.575 1.485 18134 4001 1 12 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.441 -0.521 18134 4002 1 12 . 1 1 49 49 LEU H H 49 8.520 8.520 7.713 0.807 18134 4003 1 12 . 1 1 50 50 LEU N N 50 121.260 121.260 120.557 0.703 18134 4004 1 12 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.106 0.114 18134 4005 1 12 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.151 -0.141 18134 4006 1 12 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.008 0.152 18134 4007 1 12 . 1 1 50 50 LEU H H 50 8.530 8.530 8.518 0.012 18134 4008 1 12 . 1 1 51 51 ASN N N 51 116.660 116.660 115.839 0.821 18134 4009 1 12 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.804 0.036 18134 4010 1 12 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.199 0.911 18134 4011 1 12 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.793 2.167 18134 4012 1 12 . 1 1 51 51 ASN H H 51 7.280 7.280 7.642 -0.362 18134 4013 1 12 . 1 1 52 52 GLY N N 52 107.530 107.530 107.682 -0.152 18134 4014 1 12 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.353 -0.223 18134 4015 1 12 . 1 1 52 52 GLY H H 52 7.720 7.720 7.720 -0.000 18134 4016 1 12 . 1 1 53 53 PHE N N 53 123.430 123.430 118.558 4.872 18134 4017 1 12 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.622 0.178 18134 4018 1 12 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.302 0.348 18134 4019 1 12 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.577 -1.477 18134 4020 1 12 . 1 1 53 53 PHE H H 53 8.210 8.210 7.551 0.659 18134 4021 1 12 . 1 1 54 54 ASP N N 54 117.170 117.170 118.933 -1.763 18134 4022 1 12 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.527 0.043 18134 4023 1 12 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.391 -1.401 18134 4024 1 12 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.874 0.926 18134 4025 1 12 . 1 1 54 54 ASP H H 54 7.720 7.720 8.293 -0.573 18134 4026 1 12 . 1 1 55 55 ASP N N 55 121.390 121.390 121.295 0.095 18134 4027 1 12 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.461 0.199 18134 4028 1 12 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.683 -0.413 18134 4029 1 12 . 1 1 55 55 ASP H H 55 7.830 7.830 8.110 -0.280 18134 4030 1 12 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.705 -0.295 18134 4031 1 12 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.082 0.978 18134 4032 1 12 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.382 0.398 18134 4033 1 12 . 1 1 56 56 VAL H H 56 8.800 8.800 8.323 0.477 18134 4034 1 12 . 1 1 57 57 HIS N N 57 121.390 121.390 114.826 6.564 18134 4035 1 12 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.536 -0.336 18134 4036 1 12 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.508 0.622 18134 4037 1 12 . 1 1 57 57 HIS H H 57 8.390 8.390 8.137 0.253 18134 4038 1 12 . 1 1 58 58 PHE N N 58 121.980 121.980 119.663 2.317 18134 4039 1 12 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.737 -0.378 18134 4040 1 12 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.169 2.981 18134 4041 1 12 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.155 -1.285 18134 4042 1 12 . 1 1 58 58 PHE H H 58 7.930 7.930 7.742 0.188 18134 4043 1 12 . 1 1 59 59 LEU N N 59 121.800 121.800 120.588 1.212 18134 4044 1 12 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.259 -0.219 18134 4045 1 12 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.792 -0.062 18134 4046 1 12 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.584 0.336 18134 4047 1 12 . 1 1 59 59 LEU H H 59 7.730 7.730 7.428 0.302 18134 4048 1 12 . 1 1 60 60 GLY N N 60 106.180 106.180 102.600 3.580 18134 4049 1 12 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.182 0.918 18134 4050 1 12 . 1 1 60 60 GLY H H 60 7.800 7.800 8.378 -0.578 18134 4051 1 12 . 1 1 61 61 SER N N 61 116.150 116.150 115.715 0.435 18134 4052 1 12 . 1 1 61 61 SER HA H 61 4.770 4.770 4.607 0.163 18134 4053 1 12 . 1 1 61 61 SER CA C 61 59.370 59.370 58.606 0.764 18134 4054 1 12 . 1 1 61 61 SER CB C 61 64.450 64.450 64.541 -0.091 18134 4055 1 12 . 1 1 61 61 SER H H 61 7.610 7.610 7.575 0.035 18134 4056 1 12 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.724 -0.054 18134 4057 1 12 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.662 -0.792 18134 4058 1 12 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.646 -0.496 18134 4059 1 12 . 1 1 63 63 VAL N N 63 120.030 120.030 121.888 -1.858 18134 4060 1 12 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.873 0.217 18134 4061 1 12 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.466 -1.786 18134 4062 1 12 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.475 0.395 18134 4063 1 12 . 1 1 63 63 VAL H H 63 7.770 7.770 8.506 -0.736 18134 4064 1 12 . 1 1 64 64 MET N N 64 125.400 125.400 115.553 9.847 18134 4065 1 12 . 1 1 64 64 MET HA H 64 4.460 4.460 4.075 0.385 18134 4066 1 12 . 1 1 64 64 MET CA C 64 55.610 55.610 56.026 -0.416 18134 4067 1 12 . 1 1 64 64 MET CB C 64 34.400 34.400 30.246 4.154 18134 4068 1 12 . 1 1 64 64 MET H H 64 7.900 7.900 8.177 -0.277 18134 4069 1 12 . 1 1 65 65 GLU N N 65 124.210 124.210 118.313 5.897 18134 4070 1 12 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.466 0.214 18134 4071 1 12 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.590 -0.870 18134 4072 1 12 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.954 1.046 18134 4073 1 12 . 1 1 65 65 GLU H H 65 8.810 8.810 8.013 0.797 18134 4074 1 12 . 1 1 66 66 GLU N N 66 125.500 125.500 120.976 4.524 18134 4075 1 12 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.912 -0.252 18134 4076 1 12 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.848 1.772 18134 4077 1 12 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.379 -0.129 18134 4078 1 12 . 1 1 66 66 GLU H H 66 9.290 9.290 8.897 0.393 18134 4079 1 12 . 1 1 67 67 GLN N N 67 119.780 119.780 118.947 0.833 18134 4080 1 12 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.073 -0.333 18134 4081 1 12 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.404 -0.344 18134 4082 1 12 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.157 0.923 18134 4083 1 12 . 1 1 67 67 GLN H H 67 9.090 9.090 8.385 0.705 18134 4084 1 12 . 1 1 68 68 ASP N N 68 119.450 119.450 119.739 -0.289 18134 4085 1 12 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.404 0.056 18134 4086 1 12 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.593 0.207 18134 4087 1 12 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.370 1.020 18134 4088 1 12 . 1 1 68 68 ASP H H 68 7.400 7.400 8.540 -1.140 18134 4089 1 12 . 1 1 69 69 LEU N N 69 116.950 116.950 118.288 -1.338 18134 4090 1 12 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.935 0.205 18134 4091 1 12 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.586 -1.056 18134 4092 1 12 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.826 -0.266 18134 4093 1 12 . 1 1 69 69 LEU H H 69 7.180 7.180 7.715 -0.535 18134 4094 1 12 . 1 1 70 70 ARG N N 70 123.140 123.140 119.045 4.095 18134 4095 1 12 . 1 1 70 70 ARG HA H 70 3.920 3.920 3.997 -0.077 18134 4096 1 12 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.785 0.995 18134 4097 1 12 . 1 1 70 70 ARG CB C 70 30.220 30.220 29.972 0.248 18134 4098 1 12 . 1 1 70 70 ARG H H 70 7.990 7.990 7.319 0.671 18134 4099 1 12 . 1 1 71 71 ASP N N 71 121.960 121.960 118.689 3.271 18134 4100 1 12 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.420 0.030 18134 4101 1 12 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.785 0.575 18134 4102 1 12 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.803 -0.254 18134 4103 1 12 . 1 1 71 71 ASP H H 71 8.460 8.460 8.382 0.078 18134 4104 1 12 . 1 1 72 72 ILE N N 72 112.900 112.900 110.734 2.166 18134 4105 1 12 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.297 0.193 18134 4106 1 12 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.032 -0.072 18134 4107 1 12 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.623 -0.323 18134 4108 1 12 . 1 1 72 72 ILE H H 72 7.180 7.180 7.415 -0.235 18134 4109 1 12 . 1 1 73 73 GLY N N 73 108.400 108.400 106.968 1.432 18134 4110 1 12 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.809 1.341 18134 4111 1 12 . 1 1 73 73 GLY H H 73 7.650 7.650 7.312 0.338 18134 4112 1 12 . 1 1 74 74 ILE N N 74 123.110 123.110 124.685 -1.575 18134 4113 1 12 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.434 0.696 18134 4114 1 12 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.267 -1.037 18134 4115 1 12 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.781 -2.341 18134 4116 1 12 . 1 1 74 74 ILE H H 74 7.860 7.860 7.587 0.273 18134 4117 1 12 . 1 1 75 75 SER HA H 75 3.820 3.820 4.502 -0.682 18134 4118 1 12 . 1 1 75 75 SER CA C 75 59.540 59.540 58.037 1.503 18134 4119 1 12 . 1 1 75 75 SER CB C 75 63.630 63.630 64.376 -0.746 18134 4120 1 12 . 1 1 76 76 ASP N N 76 127.640 127.640 123.922 3.718 18134 4121 1 12 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.691 0.109 18134 4122 1 12 . 1 1 76 76 ASP CA C 76 52.300 52.300 53.919 -1.619 18134 4123 1 12 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.832 0.208 18134 4124 1 12 . 1 1 76 76 ASP H H 76 8.000 8.000 8.045 -0.045 18134 4125 1 12 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.250 -0.260 18134 4126 1 12 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.381 0.199 18134 4127 1 12 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.214 2.226 18134 4128 1 12 . 1 1 78 78 GLN N N 78 120.390 120.390 115.964 4.426 18134 4129 1 12 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.173 -0.023 18134 4130 1 12 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.040 1.140 18134 4131 1 12 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.320 -0.520 18134 4132 1 12 . 1 1 78 78 GLN H H 78 8.200 8.200 8.890 -0.690 18134 4133 1 12 . 1 1 79 79 HIS N N 79 123.160 123.160 115.275 7.885 18134 4134 1 12 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.669 -0.269 18134 4135 1 12 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.564 0.926 18134 4136 1 12 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.403 0.777 18134 4137 1 12 . 1 1 79 79 HIS H H 79 8.060 8.060 7.939 0.121 18134 4138 1 12 . 1 1 80 80 ARG N N 80 118.250 118.250 120.613 -2.363 18134 4139 1 12 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.191 -0.431 18134 4140 1 12 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.340 2.500 18134 4141 1 12 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.601 1.179 18134 4142 1 12 . 1 1 80 80 ARG H H 80 8.060 8.060 8.040 0.020 18134 4143 1 12 . 1 1 81 81 ARG N N 81 118.850 118.850 119.160 -0.310 18134 4144 1 12 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.166 -0.236 18134 4145 1 12 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.373 1.897 18134 4146 1 12 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.019 0.201 18134 4147 1 12 . 1 1 81 81 ARG H H 81 7.700 7.700 7.995 -0.295 18134 4148 1 12 . 1 1 82 82 LYS N N 82 121.700 121.700 119.871 1.829 18134 4149 1 12 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.130 -0.080 18134 4150 1 12 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.703 -0.043 18134 4151 1 12 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.905 1.205 18134 4152 1 12 . 1 1 82 82 LYS H H 82 8.030 8.030 7.909 0.121 18134 4153 1 12 . 1 1 83 83 LEU N N 83 122.310 122.310 119.164 3.146 18134 4154 1 12 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.056 -0.246 18134 4155 1 12 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.107 1.353 18134 4156 1 12 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.205 1.445 18134 4157 1 12 . 1 1 83 83 LEU H H 83 8.130 8.130 7.511 0.619 18134 4158 1 12 . 1 1 84 84 LEU N N 84 119.760 119.760 118.178 1.582 18134 4159 1 12 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.351 -0.381 18134 4160 1 12 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.552 1.788 18134 4161 1 12 . 1 1 84 84 LEU CB C 84 42.040 42.040 42.327 -0.287 18134 4162 1 12 . 1 1 84 84 LEU H H 84 8.030 8.030 7.439 0.591 18134 4163 1 12 . 1 1 85 85 GLN N N 85 119.520 119.520 119.825 -0.305 18134 4164 1 12 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.073 -0.073 18134 4165 1 12 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.014 -0.014 18134 4166 1 12 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.032 -0.142 18134 4167 1 12 . 1 1 85 85 GLN H H 85 8.340 8.340 8.379 -0.039 18134 4168 1 12 . 1 1 86 86 ALA N N 86 124.280 124.280 120.542 3.738 18134 4169 1 12 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.307 -0.017 18134 4170 1 12 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.657 0.543 18134 4171 1 12 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.981 0.369 18134 4172 1 12 . 1 1 86 86 ALA H H 86 8.320 8.320 8.081 0.239 18134 4173 1 12 . 1 1 87 87 ALA N N 87 124.840 124.840 120.310 4.530 18134 4174 1 12 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.118 -0.068 18134 4175 1 12 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.244 1.076 18134 4176 1 12 . 1 1 87 87 ALA CB C 87 18.150 18.150 18.621 -0.471 18134 4177 1 12 . 1 1 87 87 ALA H H 87 8.770 8.770 7.980 0.790 18134 4178 1 12 . 1 1 88 88 ARG N N 88 118.020 118.020 117.199 0.821 18134 4179 1 12 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.159 0.081 18134 4180 1 12 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.230 -0.140 18134 4181 1 12 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.731 -0.291 18134 4182 1 12 . 1 1 88 88 ARG H H 88 8.010 8.010 7.792 0.218 18134 4183 1 12 . 1 1 89 89 SER N N 89 115.060 115.060 113.862 1.198 18134 4184 1 12 . 1 1 89 89 SER HA H 89 4.530 4.530 4.640 -0.110 18134 4185 1 12 . 1 1 89 89 SER CA C 89 58.630 58.630 57.341 1.289 18134 4186 1 12 . 1 1 89 89 SER CB C 89 64.370 64.370 63.641 0.729 18134 4187 1 12 . 1 1 89 89 SER H H 89 7.620 7.620 7.685 -0.065 18134 4188 1 12 . 1 1 90 90 LEU N N 90 126.540 126.540 123.956 2.584 18134 4189 1 12 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.380 0.030 18134 4190 1 12 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.908 -0.438 18134 4191 1 12 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.797 -0.358 18134 4192 1 12 . 1 1 90 90 LEU H H 90 7.350 7.350 7.377 -0.027 18134 4193 1 12 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.540 -0.150 18134 4194 1 12 . 1 1 91 91 PRO CA C 91 63.280 63.280 64.058 -0.778 18134 4195 1 12 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.133 0.377 18134 4196 1 12 . 1 1 92 92 LYS N N 92 122.480 122.480 115.703 6.777 18134 4197 1 12 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.473 -0.153 18134 4198 1 12 . 1 1 92 92 LYS CA C 92 56.280 56.280 54.675 1.605 18134 4199 1 12 . 1 1 92 92 LYS CB C 92 33.350 33.350 30.730 2.620 18134 4200 1 12 . 1 1 92 92 LYS H H 92 8.330 8.330 7.759 0.571 18134 4201 1 12 . 1 1 93 93 VAL N N 93 122.310 122.310 121.541 0.769 18134 4202 1 12 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.041 0.029 18134 4203 1 12 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.609 1.521 18134 4204 1 12 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.934 -0.704 18134 4205 1 12 . 1 1 93 93 VAL H H 93 8.060 8.060 7.410 0.650 18134 4206 1 12 . 1 1 94 94 LYS N N 94 127.330 127.330 127.373 -0.043 18134 4207 1 12 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.175 0.115 18134 4208 1 12 . 1 1 94 94 LYS CA C 94 56.530 56.530 57.337 -0.807 18134 4209 1 12 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.896 1.574 18134 4210 1 12 . 1 1 94 94 LYS H H 94 8.340 8.340 8.402 -0.062 18134 4211 1 12 . 1 1 95 95 ALA N N 95 127.620 127.620 122.765 4.855 18134 4212 1 12 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.293 -0.023 18134 4213 1 12 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.504 1.476 18134 4214 1 12 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.631 -0.281 18134 4215 1 12 . 1 1 95 95 ALA H H 95 8.290 8.290 7.691 0.599 18134 4216 1 12 . 1 1 96 96 LEU N N 96 123.670 123.670 121.757 1.913 18134 4217 1 12 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.084 0.216 18134 4218 1 12 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.154 1.376 18134 4219 1 12 . 1 1 96 96 LEU CB C 96 42.650 42.650 40.829 1.821 18134 4220 1 12 . 1 1 96 96 LEU H H 96 8.240 8.240 8.340 -0.100 18134 4221 1 12 . 1 1 97 97 GLY N N 97 111.540 111.540 111.231 0.309 18134 4222 1 12 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.936 0.844 18134 4223 1 12 . 1 1 97 97 GLY H H 97 8.400 8.400 7.830 0.570 18134 4224 1 12 . 1 1 98 98 TYR N N 98 122.570 122.570 119.337 3.233 18134 4225 1 12 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.734 -0.144 18134 4226 1 12 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.800 0.540 18134 4227 1 12 . 1 1 98 98 TYR CB C 98 39.150 39.150 42.646 -3.496 18134 4228 1 12 . 1 1 98 98 TYR H H 98 8.060 8.060 8.424 -0.364 18134 4229 1 12 . 1 1 99 99 ASP N N 99 124.880 124.880 121.746 3.134 18134 4230 1 12 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.831 -0.271 18134 4231 1 12 . 1 1 99 99 ASP CA C 99 55.400 55.400 52.447 2.953 18134 4232 1 12 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.699 -1.049 18134 4233 1 12 . 1 1 99 99 ASP H H 99 8.350 8.350 8.730 -0.380 18134 4234 1 12 . 1 1 100 100 GLY N N 100 110.340 110.340 108.075 2.265 18134 4235 1 12 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.901 0.709 18134 4236 1 12 . 1 1 100 100 GLY H H 100 7.540 7.540 8.586 -1.046 18134 4237 1 13 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.304 0.206 18134 4238 1 13 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.625 1.775 18134 4239 1 13 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.347 0.803 18134 4240 1 13 . 1 1 23 23 SER N N 23 120.770 120.770 115.130 5.640 18134 4241 1 13 . 1 1 23 23 SER HA H 23 4.170 4.170 4.292 -0.122 18134 4242 1 13 . 1 1 23 23 SER H H 23 8.370 8.370 8.205 0.165 18134 4243 1 13 . 1 1 26 26 ARG N N 26 123.960 123.960 122.191 1.769 18134 4244 1 13 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.676 -0.256 18134 4245 1 13 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.210 0.190 18134 4246 1 13 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.669 -1.449 18134 4247 1 13 . 1 1 26 26 ARG H H 26 8.160 8.160 8.033 0.127 18134 4248 1 13 . 1 1 27 27 THR N N 27 117.400 117.400 115.095 2.305 18134 4249 1 13 . 1 1 27 27 THR HA H 27 4.240 4.240 4.678 -0.438 18134 4250 1 13 . 1 1 27 27 THR CA C 27 61.710 61.710 61.179 0.531 18134 4251 1 13 . 1 1 27 27 THR CB C 27 70.280 70.280 69.805 0.475 18134 4252 1 13 . 1 1 27 27 THR H H 27 8.150 8.150 7.978 0.172 18134 4253 1 13 . 1 1 28 28 LEU N N 28 125.240 125.240 120.867 4.373 18134 4254 1 13 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.934 -0.634 18134 4255 1 13 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.133 1.667 18134 4256 1 13 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.789 -0.139 18134 4257 1 13 . 1 1 28 28 LEU H H 28 8.230 8.230 8.770 -0.540 18134 4258 1 13 . 1 1 29 29 GLU N N 29 123.420 123.420 117.471 5.949 18134 4259 1 13 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.344 -0.044 18134 4260 1 13 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.532 1.599 18134 4261 1 13 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.221 1.119 18134 4262 1 13 . 1 1 29 29 GLU H H 29 8.360 8.360 8.595 -0.235 18134 4263 1 13 . 1 1 30 30 GLN N N 30 122.830 122.830 119.883 2.947 18134 4264 1 13 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.235 0.305 18134 4265 1 13 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.619 -0.699 18134 4266 1 13 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.482 1.818 18134 4267 1 13 . 1 1 30 30 GLN H H 30 8.090 8.090 7.907 0.183 18134 4268 1 13 . 1 1 31 31 SER N N 31 120.590 120.590 118.237 2.353 18134 4269 1 13 . 1 1 31 31 SER HA H 31 4.700 4.700 4.713 -0.013 18134 4270 1 13 . 1 1 31 31 SER CA C 31 57.610 57.610 56.215 1.395 18134 4271 1 13 . 1 1 31 31 SER CB C 31 65.900 65.900 65.263 0.637 18134 4272 1 13 . 1 1 31 31 SER H H 31 8.760 8.760 8.335 0.425 18134 4273 1 13 . 1 1 32 32 VAL N N 32 124.160 124.160 122.580 1.580 18134 4274 1 13 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.065 -0.295 18134 4275 1 13 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.150 0.480 18134 4276 1 13 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.577 0.693 18134 4277 1 13 . 1 1 32 32 VAL H H 32 9.030 9.030 8.969 0.061 18134 4278 1 13 . 1 1 33 33 GLY N N 33 110.070 110.070 107.788 2.282 18134 4279 1 13 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.804 0.396 18134 4280 1 13 . 1 1 33 33 GLY H H 33 9.020 9.020 8.432 0.588 18134 4281 1 13 . 1 1 34 34 GLU N N 34 124.850 124.850 123.316 1.534 18134 4282 1 13 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.065 0.015 18134 4283 1 13 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.758 0.662 18134 4284 1 13 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.787 1.554 18134 4285 1 13 . 1 1 34 34 GLU H H 34 7.960 7.960 8.354 -0.394 18134 4286 1 13 . 1 1 35 35 TRP N N 35 125.670 125.670 121.355 4.315 18134 4287 1 13 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.599 -0.359 18134 4288 1 13 . 1 1 35 35 TRP CA C 35 61.710 61.710 59.945 1.765 18134 4289 1 13 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.044 -0.764 18134 4290 1 13 . 1 1 35 35 TRP H H 35 8.580 8.580 8.455 0.125 18134 4291 1 13 . 1 1 36 36 LEU N N 36 121.440 121.440 118.657 2.783 18134 4292 1 13 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.417 -0.067 18134 4293 1 13 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.781 -0.411 18134 4294 1 13 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.252 0.668 18134 4295 1 13 . 1 1 36 36 LEU H H 36 9.130 9.130 8.386 0.744 18134 4296 1 13 . 1 1 37 37 GLU N N 37 122.290 122.290 119.678 2.612 18134 4297 1 13 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.010 0.000 18134 4298 1 13 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.279 -0.219 18134 4299 1 13 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.211 -0.151 18134 4300 1 13 . 1 1 37 37 GLU H H 37 8.250 8.250 8.440 -0.190 18134 4301 1 13 . 1 1 38 38 SER N N 38 118.850 118.850 112.930 5.920 18134 4302 1 13 . 1 1 38 38 SER HA H 38 4.280 4.280 4.329 -0.049 18134 4303 1 13 . 1 1 38 38 SER CA C 38 61.820 61.820 60.526 1.294 18134 4304 1 13 . 1 1 38 38 SER CB C 38 63.650 63.650 63.332 0.318 18134 4305 1 13 . 1 1 38 38 SER H H 38 7.850 7.850 7.735 0.115 18134 4306 1 13 . 1 1 39 39 ILE N N 39 115.190 115.190 113.993 1.197 18134 4307 1 13 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.491 0.019 18134 4308 1 13 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.979 0.011 18134 4309 1 13 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.959 -1.299 18134 4310 1 13 . 1 1 39 39 ILE H H 39 6.940 6.940 7.256 -0.316 18134 4311 1 13 . 1 1 40 40 GLY N N 40 112.250 112.250 108.977 3.273 18134 4312 1 13 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.264 1.916 18134 4313 1 13 . 1 1 40 40 GLY H H 40 7.630 7.630 8.047 -0.417 18134 4314 1 13 . 1 1 41 41 LEU N N 41 121.470 121.470 120.249 1.221 18134 4315 1 13 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.539 0.231 18134 4316 1 13 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.364 0.266 18134 4317 1 13 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.469 0.661 18134 4318 1 13 . 1 1 41 41 LEU H H 41 7.810 7.810 8.289 -0.479 18134 4319 1 13 . 1 1 42 42 GLN N N 42 122.310 122.310 119.937 2.373 18134 4320 1 13 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.872 0.018 18134 4321 1 13 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.438 -0.028 18134 4322 1 13 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.267 -0.708 18134 4323 1 13 . 1 1 42 42 GLN H H 42 9.070 9.070 7.960 1.110 18134 4324 1 13 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.069 0.171 18134 4325 1 13 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.424 -0.424 18134 4326 1 13 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.746 -0.426 18134 4327 1 13 . 1 1 44 44 TYR N N 44 121.180 121.180 120.532 0.648 18134 4328 1 13 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.439 0.351 18134 4329 1 13 . 1 1 44 44 TYR CA C 44 58.580 58.580 58.527 0.053 18134 4330 1 13 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.275 0.025 18134 4331 1 13 . 1 1 44 44 TYR H H 44 7.640 7.640 8.051 -0.411 18134 4332 1 13 . 1 1 45 45 GLU N N 45 124.810 124.810 121.448 3.362 18134 4333 1 13 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.831 -0.221 18134 4334 1 13 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.277 1.313 18134 4335 1 13 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.401 0.689 18134 4336 1 13 . 1 1 45 45 GLU H H 45 7.850 7.850 7.809 0.041 18134 4337 1 13 . 1 1 46 46 SER N N 46 114.660 114.660 114.960 -0.300 18134 4338 1 13 . 1 1 46 46 SER HA H 46 4.000 4.000 4.111 -0.111 18134 4339 1 13 . 1 1 46 46 SER CA C 46 62.920 62.920 61.086 1.834 18134 4340 1 13 . 1 1 46 46 SER H H 46 8.790 8.790 8.284 0.506 18134 4341 1 13 . 1 1 47 47 LYS N N 47 122.810 122.810 122.103 0.707 18134 4342 1 13 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.131 -0.011 18134 4343 1 13 . 1 1 47 47 LYS CA C 47 59.560 59.560 59.160 0.400 18134 4344 1 13 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.527 0.423 18134 4345 1 13 . 1 1 47 47 LYS H H 47 7.810 7.810 8.024 -0.214 18134 4346 1 13 . 1 1 48 48 LEU N N 48 121.420 121.420 119.421 1.999 18134 4347 1 13 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.299 -0.089 18134 4348 1 13 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.558 2.862 18134 4349 1 13 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.162 -1.812 18134 4350 1 13 . 1 1 48 48 LEU H H 48 8.010 8.010 8.197 -0.187 18134 4351 1 13 . 1 1 49 49 LEU N N 49 121.260 121.260 120.469 0.791 18134 4352 1 13 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.506 -0.616 18134 4353 1 13 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.552 1.508 18134 4354 1 13 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.747 -0.827 18134 4355 1 13 . 1 1 49 49 LEU H H 49 8.520 8.520 7.630 0.890 18134 4356 1 13 . 1 1 50 50 LEU N N 50 121.260 121.260 120.642 0.618 18134 4357 1 13 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.197 0.022 18134 4358 1 13 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.902 0.108 18134 4359 1 13 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.339 0.821 18134 4360 1 13 . 1 1 50 50 LEU H H 50 8.530 8.530 8.683 -0.153 18134 4361 1 13 . 1 1 51 51 ASN N N 51 116.660 116.660 117.100 -0.440 18134 4362 1 13 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.817 0.023 18134 4363 1 13 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.137 0.973 18134 4364 1 13 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.901 2.059 18134 4365 1 13 . 1 1 51 51 ASN H H 51 7.280 7.280 7.699 -0.419 18134 4366 1 13 . 1 1 52 52 GLY N N 52 107.530 107.530 107.490 0.040 18134 4367 1 13 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.124 0.006 18134 4368 1 13 . 1 1 52 52 GLY H H 52 7.720 7.720 7.831 -0.111 18134 4369 1 13 . 1 1 53 53 PHE N N 53 123.430 123.430 118.431 4.999 18134 4370 1 13 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.606 0.194 18134 4371 1 13 . 1 1 53 53 PHE CA C 53 56.650 56.650 57.121 -0.471 18134 4372 1 13 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.220 -2.120 18134 4373 1 13 . 1 1 53 53 PHE H H 53 8.210 8.210 7.695 0.515 18134 4374 1 13 . 1 1 54 54 ASP N N 54 117.170 117.170 120.355 -3.185 18134 4375 1 13 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.850 -0.280 18134 4376 1 13 . 1 1 54 54 ASP CA C 54 53.990 53.990 54.517 -0.527 18134 4377 1 13 . 1 1 54 54 ASP CB C 54 41.800 41.800 41.319 0.481 18134 4378 1 13 . 1 1 54 54 ASP H H 54 7.720 7.720 8.258 -0.538 18134 4379 1 13 . 1 1 55 55 ASP N N 55 121.390 121.390 119.345 2.045 18134 4380 1 13 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.818 -0.158 18134 4381 1 13 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.483 -1.213 18134 4382 1 13 . 1 1 55 55 ASP H H 55 7.830 7.830 7.960 -0.130 18134 4383 1 13 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.650 -0.240 18134 4384 1 13 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.252 0.808 18134 4385 1 13 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.898 -0.118 18134 4386 1 13 . 1 1 56 56 VAL H H 56 8.800 8.800 8.673 0.127 18134 4387 1 13 . 1 1 57 57 HIS N N 57 121.390 121.390 114.043 7.347 18134 4388 1 13 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.459 -0.259 18134 4389 1 13 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.385 0.745 18134 4390 1 13 . 1 1 57 57 HIS H H 57 8.390 8.390 7.897 0.493 18134 4391 1 13 . 1 1 58 58 PHE N N 58 121.980 121.980 118.882 3.098 18134 4392 1 13 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.604 -0.244 18134 4393 1 13 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.406 1.744 18134 4394 1 13 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.469 -1.599 18134 4395 1 13 . 1 1 58 58 PHE H H 58 7.930 7.930 7.903 0.027 18134 4396 1 13 . 1 1 59 59 LEU N N 59 121.800 121.800 120.339 1.461 18134 4397 1 13 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.234 -0.194 18134 4398 1 13 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.880 -0.150 18134 4399 1 13 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.050 0.870 18134 4400 1 13 . 1 1 59 59 LEU H H 59 7.730 7.730 7.577 0.153 18134 4401 1 13 . 1 1 60 60 GLY N N 60 106.180 106.180 104.064 2.116 18134 4402 1 13 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.215 0.885 18134 4403 1 13 . 1 1 60 60 GLY H H 60 7.800 7.800 8.452 -0.652 18134 4404 1 13 . 1 1 61 61 SER N N 61 116.150 116.150 114.923 1.227 18134 4405 1 13 . 1 1 61 61 SER HA H 61 4.770 4.770 4.521 0.249 18134 4406 1 13 . 1 1 61 61 SER CA C 61 59.370 59.370 59.126 0.244 18134 4407 1 13 . 1 1 61 61 SER CB C 61 64.450 64.450 64.423 0.027 18134 4408 1 13 . 1 1 61 61 SER H H 61 7.610 7.610 7.884 -0.274 18134 4409 1 13 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.705 -0.035 18134 4410 1 13 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.780 -0.910 18134 4411 1 13 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.386 -0.236 18134 4412 1 13 . 1 1 63 63 VAL N N 63 120.030 120.030 120.296 -0.266 18134 4413 1 13 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.936 0.154 18134 4414 1 13 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.034 -1.355 18134 4415 1 13 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.599 0.271 18134 4416 1 13 . 1 1 63 63 VAL H H 63 7.770 7.770 8.450 -0.680 18134 4417 1 13 . 1 1 64 64 MET N N 64 125.400 125.400 116.303 9.097 18134 4418 1 13 . 1 1 64 64 MET HA H 64 4.460 4.460 4.136 0.324 18134 4419 1 13 . 1 1 64 64 MET CA C 64 55.610 55.610 56.049 -0.439 18134 4420 1 13 . 1 1 64 64 MET CB C 64 34.400 34.400 30.412 3.988 18134 4421 1 13 . 1 1 64 64 MET H H 64 7.900 7.900 8.038 -0.138 18134 4422 1 13 . 1 1 65 65 GLU N N 65 124.210 124.210 119.065 5.145 18134 4423 1 13 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.455 0.225 18134 4424 1 13 . 1 1 65 65 GLU CA C 65 54.720 54.720 56.146 -1.426 18134 4425 1 13 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.488 1.512 18134 4426 1 13 . 1 1 65 65 GLU H H 65 8.810 8.810 7.971 0.839 18134 4427 1 13 . 1 1 66 66 GLU N N 66 125.500 125.500 120.519 4.981 18134 4428 1 13 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.801 -0.141 18134 4429 1 13 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.897 1.723 18134 4430 1 13 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.276 -0.026 18134 4431 1 13 . 1 1 66 66 GLU H H 66 9.290 9.290 8.827 0.463 18134 4432 1 13 . 1 1 67 67 GLN N N 67 119.780 119.780 119.334 0.446 18134 4433 1 13 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.135 -0.395 18134 4434 1 13 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.150 -0.090 18134 4435 1 13 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.990 1.090 18134 4436 1 13 . 1 1 67 67 GLN H H 67 9.090 9.090 8.408 0.682 18134 4437 1 13 . 1 1 68 68 ASP N N 68 119.450 119.450 119.286 0.164 18134 4438 1 13 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.412 0.048 18134 4439 1 13 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.121 0.679 18134 4440 1 13 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.351 1.039 18134 4441 1 13 . 1 1 68 68 ASP H H 68 7.400 7.400 8.420 -1.020 18134 4442 1 13 . 1 1 69 69 LEU N N 69 116.950 116.950 118.640 -1.690 18134 4443 1 13 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.876 0.264 18134 4444 1 13 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.695 -1.165 18134 4445 1 13 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.651 -0.091 18134 4446 1 13 . 1 1 69 69 LEU H H 69 7.180 7.180 7.877 -0.697 18134 4447 1 13 . 1 1 70 70 ARG N N 70 123.140 123.140 119.350 3.790 18134 4448 1 13 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.068 -0.148 18134 4449 1 13 . 1 1 70 70 ARG CA C 70 59.780 59.780 59.015 0.765 18134 4450 1 13 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.014 0.206 18134 4451 1 13 . 1 1 70 70 ARG H H 70 7.990 7.990 7.530 0.460 18134 4452 1 13 . 1 1 71 71 ASP N N 71 121.960 121.960 120.434 1.526 18134 4453 1 13 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.447 0.003 18134 4454 1 13 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.936 0.424 18134 4455 1 13 . 1 1 71 71 ASP CB C 71 40.550 40.550 41.054 -0.504 18134 4456 1 13 . 1 1 71 71 ASP H H 71 8.460 8.460 8.550 -0.090 18134 4457 1 13 . 1 1 72 72 ILE N N 72 112.900 112.900 112.099 0.801 18134 4458 1 13 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.263 0.227 18134 4459 1 13 . 1 1 72 72 ILE CA C 72 61.960 61.960 61.689 0.271 18134 4460 1 13 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.164 0.136 18134 4461 1 13 . 1 1 72 72 ILE H H 72 7.180 7.180 7.467 -0.287 18134 4462 1 13 . 1 1 73 73 GLY N N 73 108.400 108.400 108.084 0.316 18134 4463 1 13 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.854 1.296 18134 4464 1 13 . 1 1 73 73 GLY H H 73 7.650 7.650 7.540 0.110 18134 4465 1 13 . 1 1 74 74 ILE N N 74 123.110 123.110 124.897 -1.787 18134 4466 1 13 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.422 0.708 18134 4467 1 13 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.234 -1.004 18134 4468 1 13 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.418 -1.978 18134 4469 1 13 . 1 1 74 74 ILE H H 74 7.860 7.860 7.698 0.162 18134 4470 1 13 . 1 1 75 75 SER HA H 75 3.820 3.820 4.531 -0.711 18134 4471 1 13 . 1 1 75 75 SER CA C 75 59.540 59.540 57.484 2.055 18134 4472 1 13 . 1 1 75 75 SER CB C 75 63.630 63.630 64.489 -0.859 18134 4473 1 13 . 1 1 76 76 ASP N N 76 127.640 127.640 123.709 3.931 18134 4474 1 13 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.856 -0.056 18134 4475 1 13 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.788 0.511 18134 4476 1 13 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.484 -0.445 18134 4477 1 13 . 1 1 76 76 ASP H H 76 8.000 8.000 7.919 0.081 18134 4478 1 13 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.270 -0.280 18134 4479 1 13 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.439 0.141 18134 4480 1 13 . 1 1 77 77 PRO CB C 77 34.440 34.440 31.988 2.452 18134 4481 1 13 . 1 1 78 78 GLN N N 78 120.390 120.390 116.141 4.249 18134 4482 1 13 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.187 -0.037 18134 4483 1 13 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.342 0.838 18134 4484 1 13 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.749 0.051 18134 4485 1 13 . 1 1 78 78 GLN H H 78 8.200 8.200 8.906 -0.706 18134 4486 1 13 . 1 1 79 79 HIS N N 79 123.160 123.160 117.267 5.893 18134 4487 1 13 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.566 -0.166 18134 4488 1 13 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.536 0.954 18134 4489 1 13 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.281 0.899 18134 4490 1 13 . 1 1 79 79 HIS H H 79 8.060 8.060 8.043 0.017 18134 4491 1 13 . 1 1 80 80 ARG N N 80 118.250 118.250 120.639 -2.389 18134 4492 1 13 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.177 -0.417 18134 4493 1 13 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.364 2.476 18134 4494 1 13 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.599 1.181 18134 4495 1 13 . 1 1 80 80 ARG H H 80 8.060 8.060 8.004 0.056 18134 4496 1 13 . 1 1 81 81 ARG N N 81 118.850 118.850 119.077 -0.227 18134 4497 1 13 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.140 -0.210 18134 4498 1 13 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.971 1.299 18134 4499 1 13 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.073 0.147 18134 4500 1 13 . 1 1 81 81 ARG H H 81 7.700 7.700 8.009 -0.309 18134 4501 1 13 . 1 1 82 82 LYS N N 82 121.700 121.700 120.065 1.635 18134 4502 1 13 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.099 -0.049 18134 4503 1 13 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.653 0.007 18134 4504 1 13 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.986 1.124 18134 4505 1 13 . 1 1 82 82 LYS H H 82 8.030 8.030 8.019 0.011 18134 4506 1 13 . 1 1 83 83 LEU N N 83 122.310 122.310 119.389 2.921 18134 4507 1 13 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.024 -0.214 18134 4508 1 13 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.479 0.981 18134 4509 1 13 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.062 0.588 18134 4510 1 13 . 1 1 83 83 LEU H H 83 8.130 8.130 7.471 0.659 18134 4511 1 13 . 1 1 84 84 LEU N N 84 119.760 119.760 118.020 1.740 18134 4512 1 13 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.273 -0.303 18134 4513 1 13 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.831 1.509 18134 4514 1 13 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.990 0.050 18134 4515 1 13 . 1 1 84 84 LEU H H 84 8.030 8.030 7.479 0.551 18134 4516 1 13 . 1 1 85 85 GLN N N 85 119.520 119.520 120.183 -0.663 18134 4517 1 13 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.150 -0.150 18134 4518 1 13 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.134 -0.134 18134 4519 1 13 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.982 -0.092 18134 4520 1 13 . 1 1 85 85 GLN H H 85 8.340 8.340 8.289 0.051 18134 4521 1 13 . 1 1 86 86 ALA N N 86 124.280 124.280 121.607 2.673 18134 4522 1 13 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.351 -0.061 18134 4523 1 13 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.490 0.710 18134 4524 1 13 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.689 0.661 18134 4525 1 13 . 1 1 86 86 ALA H H 86 8.320 8.320 8.461 -0.141 18134 4526 1 13 . 1 1 87 87 ALA N N 87 124.840 124.840 121.164 3.676 18134 4527 1 13 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.219 -0.169 18134 4528 1 13 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.131 1.189 18134 4529 1 13 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.208 -1.058 18134 4530 1 13 . 1 1 87 87 ALA H H 87 8.770 8.770 7.805 0.965 18134 4531 1 13 . 1 1 88 88 ARG N N 88 118.020 118.020 118.831 -0.811 18134 4532 1 13 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.223 0.017 18134 4533 1 13 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.209 -0.119 18134 4534 1 13 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.388 0.052 18134 4535 1 13 . 1 1 88 88 ARG H H 88 8.010 8.010 7.927 0.083 18134 4536 1 13 . 1 1 89 89 SER N N 89 115.060 115.060 114.212 0.848 18134 4537 1 13 . 1 1 89 89 SER HA H 89 4.530 4.530 4.307 0.223 18134 4538 1 13 . 1 1 89 89 SER CA C 89 58.630 58.630 58.923 -0.293 18134 4539 1 13 . 1 1 89 89 SER CB C 89 64.370 64.370 63.431 0.940 18134 4540 1 13 . 1 1 89 89 SER H H 89 7.620 7.620 7.765 -0.145 18134 4541 1 13 . 1 1 90 90 LEU N N 90 126.540 126.540 123.816 2.724 18134 4542 1 13 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.276 0.134 18134 4543 1 13 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.382 0.088 18134 4544 1 13 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.810 -0.370 18134 4545 1 13 . 1 1 90 90 LEU H H 90 7.350 7.350 7.131 0.219 18134 4546 1 13 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.486 -0.096 18134 4547 1 13 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.360 0.920 18134 4548 1 13 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.157 0.353 18134 4549 1 13 . 1 1 92 92 LYS N N 92 122.480 122.480 119.799 2.681 18134 4550 1 13 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.050 0.270 18134 4551 1 13 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.585 -0.305 18134 4552 1 13 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.373 0.977 18134 4553 1 13 . 1 1 92 92 LYS H H 92 8.330 8.330 8.397 -0.067 18134 4554 1 13 . 1 1 93 93 VAL N N 93 122.310 122.310 120.004 2.306 18134 4555 1 13 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.277 -0.207 18134 4556 1 13 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.253 1.877 18134 4557 1 13 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.710 -0.480 18134 4558 1 13 . 1 1 93 93 VAL H H 93 8.060 8.060 7.940 0.120 18134 4559 1 13 . 1 1 94 94 LYS N N 94 127.330 127.330 123.977 3.353 18134 4560 1 13 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.080 0.210 18134 4561 1 13 . 1 1 94 94 LYS CA C 94 56.530 56.530 57.127 -0.597 18134 4562 1 13 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.683 1.787 18134 4563 1 13 . 1 1 94 94 LYS H H 94 8.340 8.340 8.703 -0.363 18134 4564 1 13 . 1 1 95 95 ALA N N 95 127.620 127.620 120.440 7.180 18134 4565 1 13 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.444 -0.174 18134 4566 1 13 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.172 0.808 18134 4567 1 13 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.340 0.010 18134 4568 1 13 . 1 1 95 95 ALA H H 95 8.290 8.290 8.314 -0.024 18134 4569 1 13 . 1 1 96 96 LEU N N 96 123.670 123.670 120.753 2.917 18134 4570 1 13 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.313 -0.013 18134 4571 1 13 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.503 2.027 18134 4572 1 13 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.934 -0.284 18134 4573 1 13 . 1 1 96 96 LEU H H 96 8.240 8.240 7.584 0.656 18134 4574 1 13 . 1 1 97 97 GLY N N 97 111.540 111.540 108.139 3.401 18134 4575 1 13 . 1 1 97 97 GLY CA C 97 45.780 45.780 46.399 -0.619 18134 4576 1 13 . 1 1 97 97 GLY H H 97 8.400 8.400 8.332 0.068 18134 4577 1 13 . 1 1 98 98 TYR N N 98 122.570 122.570 125.340 -2.770 18134 4578 1 13 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.471 0.119 18134 4579 1 13 . 1 1 98 98 TYR CA C 98 58.340 58.340 56.758 1.583 18134 4580 1 13 . 1 1 98 98 TYR CB C 98 39.150 39.150 41.127 -1.977 18134 4581 1 13 . 1 1 98 98 TYR H H 98 8.060 8.060 7.936 0.124 18134 4582 1 13 . 1 1 99 99 ASP N N 99 124.880 124.880 123.533 1.347 18134 4583 1 13 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.468 0.092 18134 4584 1 13 . 1 1 99 99 ASP CA C 99 55.400 55.400 53.230 2.170 18134 4585 1 13 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.037 0.613 18134 4586 1 13 . 1 1 99 99 ASP H H 99 8.350 8.350 7.893 0.457 18134 4587 1 13 . 1 1 100 100 GLY N N 100 110.340 110.340 110.619 -0.279 18134 4588 1 13 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.440 1.170 18134 4589 1 13 . 1 1 100 100 GLY H H 100 7.540 7.540 8.216 -0.676 18134 4590 1 14 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.658 -0.148 18134 4591 1 14 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.556 1.844 18134 4592 1 14 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.676 0.474 18134 4593 1 14 . 1 1 23 23 SER N N 23 120.770 120.770 116.044 4.726 18134 4594 1 14 . 1 1 23 23 SER HA H 23 4.170 4.170 4.263 -0.093 18134 4595 1 14 . 1 1 23 23 SER H H 23 8.370 8.370 8.152 0.218 18134 4596 1 14 . 1 1 26 26 ARG N N 26 123.960 123.960 120.518 3.442 18134 4597 1 14 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.566 -0.146 18134 4598 1 14 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.992 0.408 18134 4599 1 14 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.565 -1.345 18134 4600 1 14 . 1 1 26 26 ARG H H 26 8.160 8.160 8.097 0.063 18134 4601 1 14 . 1 1 27 27 THR N N 27 117.400 117.400 114.122 3.278 18134 4602 1 14 . 1 1 27 27 THR HA H 27 4.240 4.240 4.673 -0.433 18134 4603 1 14 . 1 1 27 27 THR CA C 27 61.710 61.710 61.220 0.490 18134 4604 1 14 . 1 1 27 27 THR CB C 27 70.280 70.280 70.549 -0.269 18134 4605 1 14 . 1 1 27 27 THR H H 27 8.150 8.150 8.221 -0.071 18134 4606 1 14 . 1 1 28 28 LEU N N 28 125.240 125.240 121.899 3.341 18134 4607 1 14 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.470 -0.170 18134 4608 1 14 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.824 0.976 18134 4609 1 14 . 1 1 28 28 LEU CB C 28 42.650 42.650 41.821 0.829 18134 4610 1 14 . 1 1 28 28 LEU H H 28 8.230 8.230 8.245 -0.015 18134 4611 1 14 . 1 1 29 29 GLU N N 29 123.420 123.420 115.264 8.156 18134 4612 1 14 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.059 0.241 18134 4613 1 14 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.153 -0.023 18134 4614 1 14 . 1 1 29 29 GLU CB C 29 30.340 30.340 27.971 2.369 18134 4615 1 14 . 1 1 29 29 GLU H H 29 8.360 8.360 8.188 0.172 18134 4616 1 14 . 1 1 30 30 GLN N N 30 122.830 122.830 116.597 6.233 18134 4617 1 14 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.547 -0.007 18134 4618 1 14 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.754 1.166 18134 4619 1 14 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.849 0.451 18134 4620 1 14 . 1 1 30 30 GLN H H 30 8.090 8.090 7.802 0.288 18134 4621 1 14 . 1 1 31 31 SER N N 31 120.590 120.590 113.857 6.733 18134 4622 1 14 . 1 1 31 31 SER HA H 31 4.700 4.700 4.682 0.018 18134 4623 1 14 . 1 1 31 31 SER CA C 31 57.610 57.610 56.270 1.341 18134 4624 1 14 . 1 1 31 31 SER CB C 31 65.900 65.900 65.246 0.654 18134 4625 1 14 . 1 1 31 31 SER H H 31 8.760 8.760 7.927 0.833 18134 4626 1 14 . 1 1 32 32 VAL N N 32 124.160 124.160 122.716 1.444 18134 4627 1 14 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.079 -0.309 18134 4628 1 14 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.293 0.337 18134 4629 1 14 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.814 0.456 18134 4630 1 14 . 1 1 32 32 VAL H H 32 9.030 9.030 8.984 0.046 18134 4631 1 14 . 1 1 33 33 GLY N N 33 110.070 110.070 107.589 2.481 18134 4632 1 14 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.898 0.302 18134 4633 1 14 . 1 1 33 33 GLY H H 33 9.020 9.020 8.641 0.379 18134 4634 1 14 . 1 1 34 34 GLU N N 34 124.850 124.850 123.064 1.786 18134 4635 1 14 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.120 -0.040 18134 4636 1 14 . 1 1 34 34 GLU CA C 34 59.420 59.420 59.244 0.176 18134 4637 1 14 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.064 1.276 18134 4638 1 14 . 1 1 34 34 GLU H H 34 7.960 7.960 8.597 -0.637 18134 4639 1 14 . 1 1 35 35 TRP N N 35 125.670 125.670 121.233 4.437 18134 4640 1 14 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.330 -0.090 18134 4641 1 14 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.342 1.368 18134 4642 1 14 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.100 -0.820 18134 4643 1 14 . 1 1 35 35 TRP H H 35 8.580 8.580 8.296 0.284 18134 4644 1 14 . 1 1 36 36 LEU N N 36 121.440 121.440 118.621 2.819 18134 4645 1 14 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.405 -0.055 18134 4646 1 14 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.810 -0.440 18134 4647 1 14 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.237 0.683 18134 4648 1 14 . 1 1 36 36 LEU H H 36 9.130 9.130 8.501 0.629 18134 4649 1 14 . 1 1 37 37 GLU N N 37 122.290 122.290 119.818 2.472 18134 4650 1 14 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.002 0.008 18134 4651 1 14 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.333 -0.273 18134 4652 1 14 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.236 -0.176 18134 4653 1 14 . 1 1 37 37 GLU H H 37 8.250 8.250 8.463 -0.213 18134 4654 1 14 . 1 1 38 38 SER N N 38 118.850 118.850 113.176 5.674 18134 4655 1 14 . 1 1 38 38 SER HA H 38 4.280 4.280 4.324 -0.044 18134 4656 1 14 . 1 1 38 38 SER CA C 38 61.820 61.820 60.789 1.031 18134 4657 1 14 . 1 1 38 38 SER CB C 38 63.650 63.650 63.445 0.205 18134 4658 1 14 . 1 1 38 38 SER H H 38 7.850 7.850 7.780 0.070 18134 4659 1 14 . 1 1 39 39 ILE N N 39 115.190 115.190 114.128 1.062 18134 4660 1 14 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.526 -0.016 18134 4661 1 14 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.974 0.016 18134 4662 1 14 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.647 -0.987 18134 4663 1 14 . 1 1 39 39 ILE H H 39 6.940 6.940 7.229 -0.289 18134 4664 1 14 . 1 1 40 40 GLY N N 40 112.250 112.250 108.965 3.285 18134 4665 1 14 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.300 1.881 18134 4666 1 14 . 1 1 40 40 GLY H H 40 7.630 7.630 8.019 -0.389 18134 4667 1 14 . 1 1 41 41 LEU N N 41 121.470 121.470 120.167 1.303 18134 4668 1 14 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.521 0.249 18134 4669 1 14 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.333 0.297 18134 4670 1 14 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.461 0.669 18134 4671 1 14 . 1 1 41 41 LEU H H 41 7.810 7.810 8.289 -0.479 18134 4672 1 14 . 1 1 42 42 GLN N N 42 122.310 122.310 119.979 2.331 18134 4673 1 14 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.855 0.035 18134 4674 1 14 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.505 -0.095 18134 4675 1 14 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.272 -0.712 18134 4676 1 14 . 1 1 42 42 GLN H H 42 9.070 9.070 7.901 1.169 18134 4677 1 14 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.043 0.197 18134 4678 1 14 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.252 -0.252 18134 4679 1 14 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.768 -0.448 18134 4680 1 14 . 1 1 44 44 TYR N N 44 121.180 121.180 120.069 1.111 18134 4681 1 14 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.559 0.231 18134 4682 1 14 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.743 1.837 18134 4683 1 14 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.189 0.111 18134 4684 1 14 . 1 1 44 44 TYR H H 44 7.640 7.640 7.935 -0.295 18134 4685 1 14 . 1 1 45 45 GLU N N 45 124.810 124.810 121.028 3.782 18134 4686 1 14 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.878 -0.268 18134 4687 1 14 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.047 1.544 18134 4688 1 14 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.227 0.863 18134 4689 1 14 . 1 1 45 45 GLU H H 45 7.850 7.850 7.691 0.159 18134 4690 1 14 . 1 1 46 46 SER N N 46 114.660 114.660 114.649 0.011 18134 4691 1 14 . 1 1 46 46 SER HA H 46 4.000 4.000 4.181 -0.181 18134 4692 1 14 . 1 1 46 46 SER CA C 46 62.920 62.920 61.916 1.004 18134 4693 1 14 . 1 1 46 46 SER H H 46 8.790 8.790 8.318 0.472 18134 4694 1 14 . 1 1 47 47 LYS N N 47 122.810 122.810 120.517 2.293 18134 4695 1 14 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.155 -0.035 18134 4696 1 14 . 1 1 47 47 LYS CA C 47 59.560 59.560 59.113 0.447 18134 4697 1 14 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.429 0.521 18134 4698 1 14 . 1 1 47 47 LYS H H 47 7.810 7.810 7.562 0.248 18134 4699 1 14 . 1 1 48 48 LEU N N 48 121.420 121.420 119.273 2.147 18134 4700 1 14 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.319 -0.109 18134 4701 1 14 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.569 2.851 18134 4702 1 14 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.789 -1.439 18134 4703 1 14 . 1 1 48 48 LEU H H 48 8.010 8.010 7.440 0.570 18134 4704 1 14 . 1 1 49 49 LEU N N 49 121.260 121.260 120.957 0.303 18134 4705 1 14 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.412 -0.522 18134 4706 1 14 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.566 1.494 18134 4707 1 14 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.550 -0.630 18134 4708 1 14 . 1 1 49 49 LEU H H 49 8.520 8.520 7.694 0.826 18134 4709 1 14 . 1 1 50 50 LEU N N 50 121.260 121.260 120.457 0.803 18134 4710 1 14 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.109 0.111 18134 4711 1 14 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.217 -0.207 18134 4712 1 14 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.971 0.189 18134 4713 1 14 . 1 1 50 50 LEU H H 50 8.530 8.530 8.535 -0.005 18134 4714 1 14 . 1 1 51 51 ASN N N 51 116.660 116.660 115.976 0.684 18134 4715 1 14 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.821 0.019 18134 4716 1 14 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.219 0.891 18134 4717 1 14 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.993 1.966 18134 4718 1 14 . 1 1 51 51 ASN H H 51 7.280 7.280 7.702 -0.422 18134 4719 1 14 . 1 1 52 52 GLY N N 52 107.530 107.530 107.736 -0.206 18134 4720 1 14 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.356 -0.226 18134 4721 1 14 . 1 1 52 52 GLY H H 52 7.720 7.720 7.736 -0.016 18134 4722 1 14 . 1 1 53 53 PHE N N 53 123.430 123.430 118.761 4.669 18134 4723 1 14 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.754 0.046 18134 4724 1 14 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.179 0.471 18134 4725 1 14 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.744 -1.644 18134 4726 1 14 . 1 1 53 53 PHE H H 53 8.210 8.210 7.592 0.618 18134 4727 1 14 . 1 1 54 54 ASP N N 54 117.170 117.170 119.279 -2.109 18134 4728 1 14 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.523 0.047 18134 4729 1 14 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.529 -1.539 18134 4730 1 14 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.882 0.918 18134 4731 1 14 . 1 1 54 54 ASP H H 54 7.720 7.720 8.303 -0.583 18134 4732 1 14 . 1 1 55 55 ASP N N 55 121.390 121.390 121.115 0.275 18134 4733 1 14 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.550 0.110 18134 4734 1 14 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.965 -0.695 18134 4735 1 14 . 1 1 55 55 ASP H H 55 7.830 7.830 8.330 -0.500 18134 4736 1 14 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.761 -0.351 18134 4737 1 14 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.989 1.071 18134 4738 1 14 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.919 -0.139 18134 4739 1 14 . 1 1 56 56 VAL H H 56 8.800 8.800 8.347 0.453 18134 4740 1 14 . 1 1 57 57 HIS N N 57 121.390 121.390 117.281 4.109 18134 4741 1 14 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.590 -0.390 18134 4742 1 14 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.858 0.272 18134 4743 1 14 . 1 1 57 57 HIS H H 57 8.390 8.390 8.525 -0.135 18134 4744 1 14 . 1 1 58 58 PHE N N 58 121.980 121.980 117.528 4.452 18134 4745 1 14 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.727 -0.367 18134 4746 1 14 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.315 2.836 18134 4747 1 14 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.981 -1.111 18134 4748 1 14 . 1 1 58 58 PHE H H 58 7.930 7.930 7.657 0.273 18134 4749 1 14 . 1 1 59 59 LEU N N 59 121.800 121.800 121.047 0.753 18134 4750 1 14 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.037 0.003 18134 4751 1 14 . 1 1 59 59 LEU CA C 59 57.730 57.730 58.266 -0.536 18134 4752 1 14 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.647 0.273 18134 4753 1 14 . 1 1 59 59 LEU H H 59 7.730 7.730 7.479 0.251 18134 4754 1 14 . 1 1 60 60 GLY N N 60 106.180 106.180 102.404 3.776 18134 4755 1 14 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.236 0.863 18134 4756 1 14 . 1 1 60 60 GLY H H 60 7.800 7.800 8.502 -0.702 18134 4757 1 14 . 1 1 61 61 SER N N 61 116.150 116.150 114.673 1.477 18134 4758 1 14 . 1 1 61 61 SER HA H 61 4.770 4.770 4.093 0.677 18134 4759 1 14 . 1 1 61 61 SER CA C 61 59.370 59.370 59.260 0.110 18134 4760 1 14 . 1 1 61 61 SER CB C 61 64.450 64.450 63.273 1.177 18134 4761 1 14 . 1 1 61 61 SER H H 61 7.610 7.610 7.590 0.020 18134 4762 1 14 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.501 0.169 18134 4763 1 14 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.279 -0.409 18134 4764 1 14 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.634 -0.484 18134 4765 1 14 . 1 1 63 63 VAL N N 63 120.030 120.030 122.586 -2.556 18134 4766 1 14 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.809 0.281 18134 4767 1 14 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.156 -1.476 18134 4768 1 14 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.317 0.553 18134 4769 1 14 . 1 1 63 63 VAL H H 63 7.770 7.770 8.482 -0.712 18134 4770 1 14 . 1 1 64 64 MET N N 64 125.400 125.400 115.609 9.791 18134 4771 1 14 . 1 1 64 64 MET HA H 64 4.460 4.460 4.155 0.305 18134 4772 1 14 . 1 1 64 64 MET CA C 64 55.610 55.610 56.017 -0.407 18134 4773 1 14 . 1 1 64 64 MET CB C 64 34.400 34.400 29.904 4.496 18134 4774 1 14 . 1 1 64 64 MET H H 64 7.900 7.900 8.162 -0.262 18134 4775 1 14 . 1 1 65 65 GLU N N 65 124.210 124.210 118.720 5.490 18134 4776 1 14 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.451 0.229 18134 4777 1 14 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.575 -0.855 18134 4778 1 14 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.207 0.793 18134 4779 1 14 . 1 1 65 65 GLU H H 65 8.810 8.810 7.812 0.998 18134 4780 1 14 . 1 1 66 66 GLU N N 66 125.500 125.500 120.762 4.738 18134 4781 1 14 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.908 -0.248 18134 4782 1 14 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.769 1.851 18134 4783 1 14 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.327 -0.077 18134 4784 1 14 . 1 1 66 66 GLU H H 66 9.290 9.290 8.919 0.371 18134 4785 1 14 . 1 1 67 67 GLN N N 67 119.780 119.780 118.651 1.129 18134 4786 1 14 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.032 -0.292 18134 4787 1 14 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.389 -0.329 18134 4788 1 14 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.210 0.870 18134 4789 1 14 . 1 1 67 67 GLN H H 67 9.090 9.090 8.529 0.561 18134 4790 1 14 . 1 1 68 68 ASP N N 68 119.450 119.450 119.976 -0.526 18134 4791 1 14 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.489 -0.029 18134 4792 1 14 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.385 0.415 18134 4793 1 14 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.741 0.649 18134 4794 1 14 . 1 1 68 68 ASP H H 68 7.400 7.400 7.492 -0.092 18134 4795 1 14 . 1 1 69 69 LEU N N 69 116.950 116.950 118.548 -1.598 18134 4796 1 14 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.969 0.171 18134 4797 1 14 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.115 -0.585 18134 4798 1 14 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.403 0.157 18134 4799 1 14 . 1 1 69 69 LEU H H 69 7.180 7.180 7.640 -0.460 18134 4800 1 14 . 1 1 70 70 ARG N N 70 123.140 123.140 119.483 3.657 18134 4801 1 14 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.062 -0.142 18134 4802 1 14 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.868 0.912 18134 4803 1 14 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.280 -0.060 18134 4804 1 14 . 1 1 70 70 ARG H H 70 7.990 7.990 7.927 0.063 18134 4805 1 14 . 1 1 71 71 ASP N N 71 121.960 121.960 118.871 3.089 18134 4806 1 14 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.455 -0.005 18134 4807 1 14 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.660 0.701 18134 4808 1 14 . 1 1 71 71 ASP CB C 71 40.550 40.550 41.180 -0.630 18134 4809 1 14 . 1 1 71 71 ASP H H 71 8.460 8.460 8.208 0.252 18134 4810 1 14 . 1 1 72 72 ILE N N 72 112.900 112.900 112.856 0.044 18134 4811 1 14 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.022 0.468 18134 4812 1 14 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.565 -0.605 18134 4813 1 14 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.490 -0.190 18134 4814 1 14 . 1 1 72 72 ILE H H 72 7.180 7.180 7.462 -0.282 18134 4815 1 14 . 1 1 73 73 GLY N N 73 108.400 108.400 106.926 1.474 18134 4816 1 14 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.825 1.325 18134 4817 1 14 . 1 1 73 73 GLY H H 73 7.650 7.650 7.319 0.331 18134 4818 1 14 . 1 1 74 74 ILE N N 74 123.110 123.110 124.619 -1.509 18134 4819 1 14 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.247 0.883 18134 4820 1 14 . 1 1 74 74 ILE CA C 74 61.230 61.230 61.997 -0.767 18134 4821 1 14 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.273 -1.833 18134 4822 1 14 . 1 1 74 74 ILE H H 74 7.860 7.860 7.574 0.286 18134 4823 1 14 . 1 1 75 75 SER HA H 75 3.820 3.820 4.568 -0.748 18134 4824 1 14 . 1 1 75 75 SER CA C 75 59.540 59.540 57.545 1.995 18134 4825 1 14 . 1 1 75 75 SER CB C 75 63.630 63.630 64.242 -0.612 18134 4826 1 14 . 1 1 76 76 ASP N N 76 127.640 127.640 124.420 3.220 18134 4827 1 14 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.930 -0.130 18134 4828 1 14 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.730 0.570 18134 4829 1 14 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.560 -0.520 18134 4830 1 14 . 1 1 76 76 ASP H H 76 8.000 8.000 8.068 -0.068 18134 4831 1 14 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.225 -0.235 18134 4832 1 14 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.339 0.241 18134 4833 1 14 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.048 2.392 18134 4834 1 14 . 1 1 78 78 GLN N N 78 120.390 120.390 115.870 4.520 18134 4835 1 14 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.211 -0.061 18134 4836 1 14 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.715 1.464 18134 4837 1 14 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.860 -0.060 18134 4838 1 14 . 1 1 78 78 GLN H H 78 8.200 8.200 8.910 -0.710 18134 4839 1 14 . 1 1 79 79 HIS N N 79 123.160 123.160 115.234 7.926 18134 4840 1 14 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.659 -0.259 18134 4841 1 14 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.376 1.114 18134 4842 1 14 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.472 0.708 18134 4843 1 14 . 1 1 79 79 HIS H H 79 8.060 8.060 7.955 0.105 18134 4844 1 14 . 1 1 80 80 ARG N N 80 118.250 118.250 120.576 -2.326 18134 4845 1 14 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.201 -0.441 18134 4846 1 14 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.453 2.387 18134 4847 1 14 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.613 1.167 18134 4848 1 14 . 1 1 80 80 ARG H H 80 8.060 8.060 8.100 -0.040 18134 4849 1 14 . 1 1 81 81 ARG N N 81 118.850 118.850 119.274 -0.424 18134 4850 1 14 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.151 -0.221 18134 4851 1 14 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.532 1.738 18134 4852 1 14 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.005 0.215 18134 4853 1 14 . 1 1 81 81 ARG H H 81 7.700 7.700 8.128 -0.428 18134 4854 1 14 . 1 1 82 82 LYS N N 82 121.700 121.700 119.433 2.267 18134 4855 1 14 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.111 -0.061 18134 4856 1 14 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.865 -0.205 18134 4857 1 14 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.006 1.104 18134 4858 1 14 . 1 1 82 82 LYS H H 82 8.030 8.030 8.147 -0.117 18134 4859 1 14 . 1 1 83 83 LEU N N 83 122.310 122.310 120.046 2.264 18134 4860 1 14 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.020 -0.210 18134 4861 1 14 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.465 0.994 18134 4862 1 14 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.057 0.593 18134 4863 1 14 . 1 1 83 83 LEU H H 83 8.130 8.130 7.491 0.639 18134 4864 1 14 . 1 1 84 84 LEU N N 84 119.760 119.760 118.588 1.172 18134 4865 1 14 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.183 -0.213 18134 4866 1 14 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.081 1.259 18134 4867 1 14 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.607 0.433 18134 4868 1 14 . 1 1 84 84 LEU H H 84 8.030 8.030 7.588 0.442 18134 4869 1 14 . 1 1 85 85 GLN N N 85 119.520 119.520 119.909 -0.389 18134 4870 1 14 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.144 -0.144 18134 4871 1 14 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.821 0.179 18134 4872 1 14 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.904 -0.014 18134 4873 1 14 . 1 1 85 85 GLN H H 85 8.340 8.340 7.882 0.458 18134 4874 1 14 . 1 1 86 86 ALA N N 86 124.280 124.280 120.465 3.815 18134 4875 1 14 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.366 -0.076 18134 4876 1 14 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.064 1.136 18134 4877 1 14 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.759 0.591 18134 4878 1 14 . 1 1 86 86 ALA H H 86 8.320 8.320 8.132 0.188 18134 4879 1 14 . 1 1 87 87 ALA N N 87 124.840 124.840 120.843 3.997 18134 4880 1 14 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.139 -0.089 18134 4881 1 14 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.947 1.373 18134 4882 1 14 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.109 -0.959 18134 4883 1 14 . 1 1 87 87 ALA H H 87 8.770 8.770 7.608 1.162 18134 4884 1 14 . 1 1 88 88 ARG N N 88 118.020 118.020 117.209 0.811 18134 4885 1 14 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.160 0.080 18134 4886 1 14 . 1 1 88 88 ARG CA C 88 58.090 58.090 57.935 0.155 18134 4887 1 14 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.211 0.229 18134 4888 1 14 . 1 1 88 88 ARG H H 88 8.010 8.010 7.758 0.252 18134 4889 1 14 . 1 1 89 89 SER N N 89 115.060 115.060 113.224 1.836 18134 4890 1 14 . 1 1 89 89 SER HA H 89 4.530 4.530 4.304 0.226 18134 4891 1 14 . 1 1 89 89 SER CA C 89 58.630 58.630 59.259 -0.629 18134 4892 1 14 . 1 1 89 89 SER CB C 89 64.370 64.370 63.519 0.851 18134 4893 1 14 . 1 1 89 89 SER H H 89 7.620 7.620 7.781 -0.161 18134 4894 1 14 . 1 1 90 90 LEU N N 90 126.540 126.540 123.764 2.776 18134 4895 1 14 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.291 0.119 18134 4896 1 14 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.298 0.172 18134 4897 1 14 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.821 -0.381 18134 4898 1 14 . 1 1 90 90 LEU H H 90 7.350 7.350 7.116 0.234 18134 4899 1 14 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.384 0.006 18134 4900 1 14 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.486 0.794 18134 4901 1 14 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.362 0.147 18134 4902 1 14 . 1 1 92 92 LYS N N 92 122.480 122.480 115.005 7.475 18134 4903 1 14 . 1 1 92 92 LYS HA H 92 4.320 4.320 3.860 0.460 18134 4904 1 14 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.827 -0.547 18134 4905 1 14 . 1 1 92 92 LYS CB C 92 33.350 33.350 30.732 2.618 18134 4906 1 14 . 1 1 92 92 LYS H H 92 8.330 8.330 8.534 -0.204 18134 4907 1 14 . 1 1 93 93 VAL N N 93 122.310 122.310 119.207 3.103 18134 4908 1 14 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.080 -0.010 18134 4909 1 14 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.679 1.451 18134 4910 1 14 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.856 -0.626 18134 4911 1 14 . 1 1 93 93 VAL H H 93 8.060 8.060 7.851 0.209 18134 4912 1 14 . 1 1 94 94 LYS N N 94 127.330 127.330 124.826 2.504 18134 4913 1 14 . 1 1 94 94 LYS HA H 94 4.290 4.290 3.972 0.318 18134 4914 1 14 . 1 1 94 94 LYS CA C 94 56.530 56.530 57.680 -1.150 18134 4915 1 14 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.178 2.292 18134 4916 1 14 . 1 1 94 94 LYS H H 94 8.340 8.340 8.425 -0.085 18134 4917 1 14 . 1 1 95 95 ALA N N 95 127.620 127.620 123.608 4.012 18134 4918 1 14 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.545 -0.275 18134 4919 1 14 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.678 1.302 18134 4920 1 14 . 1 1 95 95 ALA CB C 95 19.350 19.350 17.946 1.404 18134 4921 1 14 . 1 1 95 95 ALA H H 95 8.290 8.290 8.445 -0.155 18134 4922 1 14 . 1 1 96 96 LEU N N 96 123.670 123.670 120.205 3.465 18134 4923 1 14 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.508 -0.208 18134 4924 1 14 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.335 1.195 18134 4925 1 14 . 1 1 96 96 LEU CB C 96 42.650 42.650 45.096 -2.446 18134 4926 1 14 . 1 1 96 96 LEU H H 96 8.240 8.240 7.430 0.810 18134 4927 1 14 . 1 1 97 97 GLY N N 97 111.540 111.540 110.612 0.928 18134 4928 1 14 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.001 0.779 18134 4929 1 14 . 1 1 97 97 GLY H H 97 8.400 8.400 7.994 0.406 18134 4930 1 14 . 1 1 98 98 TYR N N 98 122.570 122.570 118.893 3.677 18134 4931 1 14 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.813 -0.223 18134 4932 1 14 . 1 1 98 98 TYR CA C 98 58.340 58.340 56.227 2.113 18134 4933 1 14 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.186 -0.036 18134 4934 1 14 . 1 1 98 98 TYR H H 98 8.060 8.060 7.508 0.552 18134 4935 1 14 . 1 1 99 99 ASP N N 99 124.880 124.880 123.237 1.643 18134 4936 1 14 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.490 0.070 18134 4937 1 14 . 1 1 99 99 ASP CA C 99 55.400 55.400 55.216 0.184 18134 4938 1 14 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.595 0.055 18134 4939 1 14 . 1 1 99 99 ASP H H 99 8.350 8.350 8.201 0.149 18134 4940 1 14 . 1 1 100 100 GLY N N 100 110.340 110.340 111.961 -1.621 18134 4941 1 14 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.900 0.710 18134 4942 1 14 . 1 1 100 100 GLY H H 100 7.540 7.540 8.488 -0.948 18134 4943 1 15 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.484 0.026 18134 4944 1 15 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.273 2.127 18134 4945 1 15 . 1 1 22 22 ILE CB C 22 39.150 39.150 37.454 1.696 18134 4946 1 15 . 1 1 23 23 SER N N 23 120.770 120.770 122.109 -1.339 18134 4947 1 15 . 1 1 23 23 SER HA H 23 4.170 4.170 4.784 -0.614 18134 4948 1 15 . 1 1 23 23 SER H H 23 8.370 8.370 8.783 -0.413 18134 4949 1 15 . 1 1 26 26 ARG N N 26 123.960 123.960 120.716 3.244 18134 4950 1 15 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.512 -0.092 18134 4951 1 15 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.014 0.386 18134 4952 1 15 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.729 -0.509 18134 4953 1 15 . 1 1 26 26 ARG H H 26 8.160 8.160 8.415 -0.255 18134 4954 1 15 . 1 1 27 27 THR N N 27 117.400 117.400 113.031 4.369 18134 4955 1 15 . 1 1 27 27 THR HA H 27 4.240 4.240 4.617 -0.377 18134 4956 1 15 . 1 1 27 27 THR CA C 27 61.710 61.710 60.860 0.850 18134 4957 1 15 . 1 1 27 27 THR CB C 27 70.280 70.280 70.409 -0.130 18134 4958 1 15 . 1 1 27 27 THR H H 27 8.150 8.150 8.365 -0.215 18134 4959 1 15 . 1 1 28 28 LEU N N 28 125.240 125.240 118.875 6.365 18134 4960 1 15 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.553 -0.253 18134 4961 1 15 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.548 1.252 18134 4962 1 15 . 1 1 28 28 LEU CB C 28 42.650 42.650 43.744 -1.094 18134 4963 1 15 . 1 1 28 28 LEU H H 28 8.230 8.230 7.479 0.751 18134 4964 1 15 . 1 1 29 29 GLU N N 29 123.420 123.420 116.323 7.097 18134 4965 1 15 . 1 1 29 29 GLU HA H 29 4.300 4.300 3.948 0.352 18134 4966 1 15 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.362 -0.232 18134 4967 1 15 . 1 1 29 29 GLU CB C 29 30.340 30.340 28.654 1.686 18134 4968 1 15 . 1 1 29 29 GLU H H 29 8.360 8.360 8.355 0.005 18134 4969 1 15 . 1 1 30 30 GLN N N 30 122.830 122.830 119.218 3.612 18134 4970 1 15 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.498 0.042 18134 4971 1 15 . 1 1 30 30 GLN CA C 30 55.920 55.920 55.108 0.812 18134 4972 1 15 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.445 0.855 18134 4973 1 15 . 1 1 30 30 GLN H H 30 8.090 8.090 7.814 0.276 18134 4974 1 15 . 1 1 31 31 SER N N 31 120.590 120.590 117.330 3.260 18134 4975 1 15 . 1 1 31 31 SER HA H 31 4.700 4.700 4.677 0.023 18134 4976 1 15 . 1 1 31 31 SER CA C 31 57.610 57.610 56.212 1.398 18134 4977 1 15 . 1 1 31 31 SER CB C 31 65.900 65.900 65.187 0.713 18134 4978 1 15 . 1 1 31 31 SER H H 31 8.760 8.760 8.435 0.325 18134 4979 1 15 . 1 1 32 32 VAL N N 32 124.160 124.160 122.361 1.799 18134 4980 1 15 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.009 -0.239 18134 4981 1 15 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.106 0.523 18134 4982 1 15 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.863 0.407 18134 4983 1 15 . 1 1 32 32 VAL H H 32 9.030 9.030 8.940 0.090 18134 4984 1 15 . 1 1 33 33 GLY N N 33 110.070 110.070 106.990 3.080 18134 4985 1 15 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.840 0.360 18134 4986 1 15 . 1 1 33 33 GLY H H 33 9.020 9.020 8.559 0.461 18134 4987 1 15 . 1 1 34 34 GLU N N 34 124.850 124.850 123.327 1.523 18134 4988 1 15 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.056 0.024 18134 4989 1 15 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.559 0.861 18134 4990 1 15 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.803 1.537 18134 4991 1 15 . 1 1 34 34 GLU H H 34 7.960 7.960 8.237 -0.277 18134 4992 1 15 . 1 1 35 35 TRP N N 35 125.670 125.670 121.060 4.610 18134 4993 1 15 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.447 -0.207 18134 4994 1 15 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.406 1.304 18134 4995 1 15 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.178 -0.898 18134 4996 1 15 . 1 1 35 35 TRP H H 35 8.580 8.580 8.193 0.387 18134 4997 1 15 . 1 1 36 36 LEU N N 36 121.440 121.440 117.343 4.097 18134 4998 1 15 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.400 -0.050 18134 4999 1 15 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.696 -0.326 18134 5000 1 15 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.279 0.641 18134 5001 1 15 . 1 1 36 36 LEU H H 36 9.130 9.130 8.349 0.781 18134 5002 1 15 . 1 1 37 37 GLU N N 37 122.290 122.290 119.684 2.606 18134 5003 1 15 . 1 1 37 37 GLU HA H 37 4.010 4.010 4.000 0.010 18134 5004 1 15 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.297 -0.237 18134 5005 1 15 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.203 -0.143 18134 5006 1 15 . 1 1 37 37 GLU H H 37 8.250 8.250 8.430 -0.180 18134 5007 1 15 . 1 1 38 38 SER N N 38 118.850 118.850 113.034 5.816 18134 5008 1 15 . 1 1 38 38 SER HA H 38 4.280 4.280 4.322 -0.042 18134 5009 1 15 . 1 1 38 38 SER CA C 38 61.820 61.820 60.813 1.007 18134 5010 1 15 . 1 1 38 38 SER CB C 38 63.650 63.650 63.342 0.308 18134 5011 1 15 . 1 1 38 38 SER H H 38 7.850 7.850 7.737 0.113 18134 5012 1 15 . 1 1 39 39 ILE N N 39 115.190 115.190 113.166 2.024 18134 5013 1 15 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.472 0.038 18134 5014 1 15 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.910 0.080 18134 5015 1 15 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.638 -0.978 18134 5016 1 15 . 1 1 39 39 ILE H H 39 6.940 6.940 7.197 -0.257 18134 5017 1 15 . 1 1 40 40 GLY N N 40 112.250 112.250 108.800 3.450 18134 5018 1 15 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.375 1.805 18134 5019 1 15 . 1 1 40 40 GLY H H 40 7.630 7.630 8.015 -0.385 18134 5020 1 15 . 1 1 41 41 LEU N N 41 121.470 121.470 119.769 1.701 18134 5021 1 15 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.500 0.270 18134 5022 1 15 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.447 0.183 18134 5023 1 15 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.563 0.567 18134 5024 1 15 . 1 1 41 41 LEU H H 41 7.810 7.810 8.301 -0.491 18134 5025 1 15 . 1 1 42 42 GLN N N 42 122.310 122.310 120.017 2.293 18134 5026 1 15 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.851 0.039 18134 5027 1 15 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.474 -0.064 18134 5028 1 15 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.286 -0.726 18134 5029 1 15 . 1 1 42 42 GLN H H 42 9.070 9.070 7.919 1.151 18134 5030 1 15 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.021 0.219 18134 5031 1 15 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.422 -0.422 18134 5032 1 15 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.829 -0.509 18134 5033 1 15 . 1 1 44 44 TYR N N 44 121.180 121.180 119.532 1.648 18134 5034 1 15 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.547 0.243 18134 5035 1 15 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.507 1.073 18134 5036 1 15 . 1 1 44 44 TYR CB C 44 38.300 38.300 37.853 0.447 18134 5037 1 15 . 1 1 44 44 TYR H H 44 7.640 7.640 7.990 -0.350 18134 5038 1 15 . 1 1 45 45 GLU N N 45 124.810 124.810 120.934 3.876 18134 5039 1 15 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.849 -0.239 18134 5040 1 15 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.942 1.648 18134 5041 1 15 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.408 0.682 18134 5042 1 15 . 1 1 45 45 GLU H H 45 7.850 7.850 7.728 0.122 18134 5043 1 15 . 1 1 46 46 SER N N 46 114.660 114.660 114.466 0.194 18134 5044 1 15 . 1 1 46 46 SER HA H 46 4.000 4.000 4.158 -0.158 18134 5045 1 15 . 1 1 46 46 SER CA C 46 62.920 62.920 61.259 1.661 18134 5046 1 15 . 1 1 46 46 SER H H 46 8.790 8.790 8.266 0.524 18134 5047 1 15 . 1 1 47 47 LYS N N 47 122.810 122.810 122.224 0.586 18134 5048 1 15 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.138 -0.018 18134 5049 1 15 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.634 0.926 18134 5050 1 15 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.239 0.711 18134 5051 1 15 . 1 1 47 47 LYS H H 47 7.810 7.810 7.503 0.307 18134 5052 1 15 . 1 1 48 48 LEU N N 48 121.420 121.420 119.462 1.958 18134 5053 1 15 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.259 -0.049 18134 5054 1 15 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.374 3.046 18134 5055 1 15 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.141 -1.791 18134 5056 1 15 . 1 1 48 48 LEU H H 48 8.010 8.010 7.587 0.423 18134 5057 1 15 . 1 1 49 49 LEU N N 49 121.260 121.260 120.363 0.897 18134 5058 1 15 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.499 -0.609 18134 5059 1 15 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.331 1.729 18134 5060 1 15 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.982 -1.062 18134 5061 1 15 . 1 1 49 49 LEU H H 49 8.520 8.520 7.581 0.939 18134 5062 1 15 . 1 1 50 50 LEU N N 50 121.260 121.260 121.209 0.051 18134 5063 1 15 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.285 -0.065 18134 5064 1 15 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.200 0.810 18134 5065 1 15 . 1 1 50 50 LEU CB C 50 42.160 42.160 40.917 1.243 18134 5066 1 15 . 1 1 50 50 LEU H H 50 8.530 8.530 8.443 0.087 18134 5067 1 15 . 1 1 51 51 ASN N N 51 116.660 116.660 117.212 -0.552 18134 5068 1 15 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.849 -0.009 18134 5069 1 15 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.081 1.029 18134 5070 1 15 . 1 1 51 51 ASN CB C 51 40.960 40.960 39.022 1.938 18134 5071 1 15 . 1 1 51 51 ASN H H 51 7.280 7.280 7.789 -0.509 18134 5072 1 15 . 1 1 52 52 GLY N N 52 107.530 107.530 107.580 -0.050 18134 5073 1 15 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.267 -0.136 18134 5074 1 15 . 1 1 52 52 GLY H H 52 7.720 7.720 8.125 -0.405 18134 5075 1 15 . 1 1 53 53 PHE N N 53 123.430 123.430 118.256 5.174 18134 5076 1 15 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.848 -0.048 18134 5077 1 15 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.558 0.092 18134 5078 1 15 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.127 -2.027 18134 5079 1 15 . 1 1 53 53 PHE H H 53 8.210 8.210 7.630 0.580 18134 5080 1 15 . 1 1 54 54 ASP N N 54 117.170 117.170 120.570 -3.400 18134 5081 1 15 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.509 0.061 18134 5082 1 15 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.592 -1.602 18134 5083 1 15 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.916 0.884 18134 5084 1 15 . 1 1 54 54 ASP H H 54 7.720 7.720 8.370 -0.650 18134 5085 1 15 . 1 1 55 55 ASP N N 55 121.390 121.390 120.511 0.879 18134 5086 1 15 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.500 0.160 18134 5087 1 15 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.391 -1.121 18134 5088 1 15 . 1 1 55 55 ASP H H 55 7.830 7.830 7.959 -0.129 18134 5089 1 15 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.697 -0.287 18134 5090 1 15 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.306 1.754 18134 5091 1 15 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.583 0.197 18134 5092 1 15 . 1 1 56 56 VAL H H 56 8.800 8.800 8.134 0.666 18134 5093 1 15 . 1 1 57 57 HIS N N 57 121.390 121.390 115.579 5.811 18134 5094 1 15 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.699 -0.499 18134 5095 1 15 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.826 0.304 18134 5096 1 15 . 1 1 57 57 HIS H H 57 8.390 8.390 8.074 0.316 18134 5097 1 15 . 1 1 58 58 PHE N N 58 121.980 121.980 117.776 4.204 18134 5098 1 15 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.733 -0.373 18134 5099 1 15 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.180 2.970 18134 5100 1 15 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.279 -0.409 18134 5101 1 15 . 1 1 58 58 PHE H H 58 7.930 7.930 8.316 -0.386 18134 5102 1 15 . 1 1 59 59 LEU N N 59 121.800 121.800 119.807 1.993 18134 5103 1 15 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.298 -0.258 18134 5104 1 15 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.827 -0.097 18134 5105 1 15 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.429 0.491 18134 5106 1 15 . 1 1 59 59 LEU H H 59 7.730 7.730 7.566 0.164 18134 5107 1 15 . 1 1 60 60 GLY N N 60 106.180 106.180 102.595 3.585 18134 5108 1 15 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.667 1.433 18134 5109 1 15 . 1 1 60 60 GLY H H 60 7.800 7.800 8.560 -0.760 18134 5110 1 15 . 1 1 61 61 SER N N 61 116.150 116.150 115.465 0.685 18134 5111 1 15 . 1 1 61 61 SER HA H 61 4.770 4.770 4.369 0.401 18134 5112 1 15 . 1 1 61 61 SER CA C 61 59.370 59.370 59.557 -0.187 18134 5113 1 15 . 1 1 61 61 SER CB C 61 64.450 64.450 64.426 0.024 18134 5114 1 15 . 1 1 61 61 SER H H 61 7.610 7.610 7.778 -0.168 18134 5115 1 15 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.480 0.190 18134 5116 1 15 . 1 1 62 62 ASN CA C 62 53.870 53.870 53.919 -0.049 18134 5117 1 15 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.176 -0.026 18134 5118 1 15 . 1 1 63 63 VAL N N 63 120.030 120.030 121.503 -1.473 18134 5119 1 15 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.838 0.252 18134 5120 1 15 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.327 -1.647 18134 5121 1 15 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.262 0.608 18134 5122 1 15 . 1 1 63 63 VAL H H 63 7.770 7.770 8.413 -0.643 18134 5123 1 15 . 1 1 64 64 MET N N 64 125.400 125.400 116.750 8.650 18134 5124 1 15 . 1 1 64 64 MET HA H 64 4.460 4.460 4.245 0.215 18134 5125 1 15 . 1 1 64 64 MET CA C 64 55.610 55.610 56.031 -0.421 18134 5126 1 15 . 1 1 64 64 MET CB C 64 34.400 34.400 31.352 3.048 18134 5127 1 15 . 1 1 64 64 MET H H 64 7.900 7.900 7.999 -0.099 18134 5128 1 15 . 1 1 65 65 GLU N N 65 124.210 124.210 118.950 5.260 18134 5129 1 15 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.445 0.235 18134 5130 1 15 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.191 -0.471 18134 5131 1 15 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.308 1.692 18134 5132 1 15 . 1 1 65 65 GLU H H 65 8.810 8.810 7.909 0.901 18134 5133 1 15 . 1 1 66 66 GLU N N 66 125.500 125.500 120.444 5.056 18134 5134 1 15 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.887 -0.227 18134 5135 1 15 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.025 1.595 18134 5136 1 15 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.336 -0.086 18134 5137 1 15 . 1 1 66 66 GLU H H 66 9.290 9.290 8.761 0.529 18134 5138 1 15 . 1 1 67 67 GLN N N 67 119.780 119.780 119.373 0.407 18134 5139 1 15 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.154 -0.414 18134 5140 1 15 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.080 -0.020 18134 5141 1 15 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.919 1.161 18134 5142 1 15 . 1 1 67 67 GLN H H 67 9.090 9.090 8.419 0.671 18134 5143 1 15 . 1 1 68 68 ASP N N 68 119.450 119.450 119.132 0.318 18134 5144 1 15 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.466 -0.006 18134 5145 1 15 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.172 0.627 18134 5146 1 15 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.456 0.934 18134 5147 1 15 . 1 1 68 68 ASP H H 68 7.400 7.400 8.546 -1.146 18134 5148 1 15 . 1 1 69 69 LEU N N 69 116.950 116.950 117.858 -0.908 18134 5149 1 15 . 1 1 69 69 LEU HA H 69 4.140 4.140 4.017 0.123 18134 5150 1 15 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.627 -1.097 18134 5151 1 15 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.708 -0.148 18134 5152 1 15 . 1 1 69 69 LEU H H 69 7.180 7.180 7.664 -0.484 18134 5153 1 15 . 1 1 70 70 ARG N N 70 123.140 123.140 119.374 3.766 18134 5154 1 15 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.035 -0.115 18134 5155 1 15 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.828 0.952 18134 5156 1 15 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.003 0.217 18134 5157 1 15 . 1 1 70 70 ARG H H 70 7.990 7.990 7.462 0.528 18134 5158 1 15 . 1 1 71 71 ASP N N 71 121.960 121.960 118.547 3.413 18134 5159 1 15 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.430 0.020 18134 5160 1 15 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.827 0.534 18134 5161 1 15 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.861 -0.311 18134 5162 1 15 . 1 1 71 71 ASP H H 71 8.460 8.460 8.391 0.069 18134 5163 1 15 . 1 1 72 72 ILE N N 72 112.900 112.900 111.475 1.425 18134 5164 1 15 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.334 0.156 18134 5165 1 15 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.047 -0.087 18134 5166 1 15 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.445 -0.145 18134 5167 1 15 . 1 1 72 72 ILE H H 72 7.180 7.180 7.423 -0.243 18134 5168 1 15 . 1 1 73 73 GLY N N 73 108.400 108.400 106.562 1.838 18134 5169 1 15 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.631 1.519 18134 5170 1 15 . 1 1 73 73 GLY H H 73 7.650 7.650 7.085 0.565 18134 5171 1 15 . 1 1 74 74 ILE N N 74 123.110 123.110 124.693 -1.583 18134 5172 1 15 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.505 0.625 18134 5173 1 15 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.351 -1.121 18134 5174 1 15 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.655 -2.215 18134 5175 1 15 . 1 1 74 74 ILE H H 74 7.860 7.860 7.644 0.216 18134 5176 1 15 . 1 1 75 75 SER HA H 75 3.820 3.820 4.488 -0.668 18134 5177 1 15 . 1 1 75 75 SER CA C 75 59.540 59.540 57.615 1.925 18134 5178 1 15 . 1 1 75 75 SER CB C 75 63.630 63.630 64.539 -0.909 18134 5179 1 15 . 1 1 76 76 ASP N N 76 127.640 127.640 123.923 3.717 18134 5180 1 15 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.838 -0.038 18134 5181 1 15 . 1 1 76 76 ASP CA C 76 52.300 52.300 53.013 -0.713 18134 5182 1 15 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.310 -0.270 18134 5183 1 15 . 1 1 76 76 ASP H H 76 8.000 8.000 7.862 0.138 18134 5184 1 15 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.250 -0.260 18134 5185 1 15 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.281 0.299 18134 5186 1 15 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.200 2.240 18134 5187 1 15 . 1 1 78 78 GLN N N 78 120.390 120.390 116.296 4.094 18134 5188 1 15 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.192 -0.042 18134 5189 1 15 . 1 1 78 78 GLN CA C 78 59.180 59.180 57.996 1.183 18134 5190 1 15 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.639 0.161 18134 5191 1 15 . 1 1 78 78 GLN H H 78 8.200 8.200 8.807 -0.607 18134 5192 1 15 . 1 1 79 79 HIS N N 79 123.160 123.160 115.812 7.348 18134 5193 1 15 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.615 -0.215 18134 5194 1 15 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.260 1.230 18134 5195 1 15 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.486 0.694 18134 5196 1 15 . 1 1 79 79 HIS H H 79 8.060 8.060 7.899 0.161 18134 5197 1 15 . 1 1 80 80 ARG N N 80 118.250 118.250 120.702 -2.452 18134 5198 1 15 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.230 -0.470 18134 5199 1 15 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.326 2.514 18134 5200 1 15 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.637 1.143 18134 5201 1 15 . 1 1 80 80 ARG H H 80 8.060 8.060 8.056 0.004 18134 5202 1 15 . 1 1 81 81 ARG N N 81 118.850 118.850 119.564 -0.714 18134 5203 1 15 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.153 -0.223 18134 5204 1 15 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.551 1.719 18134 5205 1 15 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.851 0.369 18134 5206 1 15 . 1 1 81 81 ARG H H 81 7.700 7.700 8.079 -0.379 18134 5207 1 15 . 1 1 82 82 LYS N N 82 121.700 121.700 119.974 1.726 18134 5208 1 15 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.093 -0.043 18134 5209 1 15 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.746 -0.086 18134 5210 1 15 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.068 1.042 18134 5211 1 15 . 1 1 82 82 LYS H H 82 8.030 8.030 8.022 0.008 18134 5212 1 15 . 1 1 83 83 LEU N N 83 122.310 122.310 119.498 2.812 18134 5213 1 15 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.014 -0.204 18134 5214 1 15 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.436 1.024 18134 5215 1 15 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.063 0.587 18134 5216 1 15 . 1 1 83 83 LEU H H 83 8.130 8.130 7.489 0.641 18134 5217 1 15 . 1 1 84 84 LEU N N 84 119.760 119.760 117.930 1.830 18134 5218 1 15 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.257 -0.287 18134 5219 1 15 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.965 1.375 18134 5220 1 15 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.882 0.159 18134 5221 1 15 . 1 1 84 84 LEU H H 84 8.030 8.030 7.453 0.577 18134 5222 1 15 . 1 1 85 85 GLN N N 85 119.520 119.520 120.078 -0.558 18134 5223 1 15 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.177 -0.177 18134 5224 1 15 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.678 0.322 18134 5225 1 15 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.937 -0.047 18134 5226 1 15 . 1 1 85 85 GLN H H 85 8.340 8.340 8.091 0.249 18134 5227 1 15 . 1 1 86 86 ALA N N 86 124.280 124.280 121.384 2.896 18134 5228 1 15 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.339 -0.049 18134 5229 1 15 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.434 0.766 18134 5230 1 15 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.747 0.603 18134 5231 1 15 . 1 1 86 86 ALA H H 86 8.320 8.320 8.402 -0.082 18134 5232 1 15 . 1 1 87 87 ALA N N 87 124.840 124.840 121.898 2.942 18134 5233 1 15 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.053 -0.003 18134 5234 1 15 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.105 1.215 18134 5235 1 15 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.144 -0.994 18134 5236 1 15 . 1 1 87 87 ALA H H 87 8.770 8.770 7.989 0.781 18134 5237 1 15 . 1 1 88 88 ARG N N 88 118.020 118.020 117.026 0.994 18134 5238 1 15 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.150 0.090 18134 5239 1 15 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.227 -0.137 18134 5240 1 15 . 1 1 88 88 ARG CB C 88 30.440 30.440 29.749 0.691 18134 5241 1 15 . 1 1 88 88 ARG H H 88 8.010 8.010 7.783 0.227 18134 5242 1 15 . 1 1 89 89 SER N N 89 115.060 115.060 114.306 0.754 18134 5243 1 15 . 1 1 89 89 SER HA H 89 4.530 4.530 4.335 0.195 18134 5244 1 15 . 1 1 89 89 SER CA C 89 58.630 58.630 59.133 -0.503 18134 5245 1 15 . 1 1 89 89 SER CB C 89 64.370 64.370 63.584 0.786 18134 5246 1 15 . 1 1 89 89 SER H H 89 7.620 7.620 7.743 -0.123 18134 5247 1 15 . 1 1 90 90 LEU N N 90 126.540 126.540 123.063 3.477 18134 5248 1 15 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.270 0.140 18134 5249 1 15 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.356 0.114 18134 5250 1 15 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.250 0.190 18134 5251 1 15 . 1 1 90 90 LEU H H 90 7.350 7.350 7.064 0.286 18134 5252 1 15 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.233 0.157 18134 5253 1 15 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.403 0.877 18134 5254 1 15 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.265 0.245 18134 5255 1 15 . 1 1 92 92 LYS N N 92 122.480 122.480 115.382 7.098 18134 5256 1 15 . 1 1 92 92 LYS HA H 92 4.320 4.320 3.786 0.534 18134 5257 1 15 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.684 -0.404 18134 5258 1 15 . 1 1 92 92 LYS CB C 92 33.350 33.350 30.193 3.157 18134 5259 1 15 . 1 1 92 92 LYS H H 92 8.330 8.330 7.584 0.746 18134 5260 1 15 . 1 1 93 93 VAL N N 93 122.310 122.310 117.577 4.733 18134 5261 1 15 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.265 -0.195 18134 5262 1 15 . 1 1 93 93 VAL CA C 93 63.130 63.130 60.434 2.696 18134 5263 1 15 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.383 -1.153 18134 5264 1 15 . 1 1 93 93 VAL H H 93 8.060 8.060 7.693 0.367 18134 5265 1 15 . 1 1 94 94 LYS N N 94 127.330 127.330 128.541 -1.211 18134 5266 1 15 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.232 0.058 18134 5267 1 15 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.747 -0.217 18134 5268 1 15 . 1 1 94 94 LYS CB C 94 33.470 33.470 30.938 2.532 18134 5269 1 15 . 1 1 94 94 LYS H H 94 8.340 8.340 8.718 -0.378 18134 5270 1 15 . 1 1 95 95 ALA N N 95 127.620 127.620 126.585 1.035 18134 5271 1 15 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.566 -0.296 18134 5272 1 15 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.443 1.537 18134 5273 1 15 . 1 1 95 95 ALA CB C 95 19.350 19.350 20.818 -1.468 18134 5274 1 15 . 1 1 95 95 ALA H H 95 8.290 8.290 8.036 0.254 18134 5275 1 15 . 1 1 96 96 LEU N N 96 123.670 123.670 122.127 1.543 18134 5276 1 15 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.107 0.193 18134 5277 1 15 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.926 0.604 18134 5278 1 15 . 1 1 96 96 LEU CB C 96 42.650 42.650 41.223 1.427 18134 5279 1 15 . 1 1 96 96 LEU H H 96 8.240 8.240 8.426 -0.186 18134 5280 1 15 . 1 1 97 97 GLY N N 97 111.540 111.540 114.240 -2.700 18134 5281 1 15 . 1 1 97 97 GLY CA C 97 45.780 45.780 44.824 0.956 18134 5282 1 15 . 1 1 97 97 GLY H H 97 8.400 8.400 8.454 -0.054 18134 5283 1 15 . 1 1 98 98 TYR N N 98 122.570 122.570 125.968 -3.398 18134 5284 1 15 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.552 0.038 18134 5285 1 15 . 1 1 98 98 TYR CA C 98 58.340 58.340 58.031 0.309 18134 5286 1 15 . 1 1 98 98 TYR CB C 98 39.150 39.150 38.427 0.723 18134 5287 1 15 . 1 1 98 98 TYR H H 98 8.060 8.060 8.437 -0.377 18134 5288 1 15 . 1 1 99 99 ASP N N 99 124.880 124.880 125.661 -0.781 18134 5289 1 15 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.680 -0.120 18134 5290 1 15 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.204 1.196 18134 5291 1 15 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.038 -0.388 18134 5292 1 15 . 1 1 99 99 ASP H H 99 8.350 8.350 8.033 0.317 18134 5293 1 15 . 1 1 100 100 GLY N N 100 110.340 110.340 111.156 -0.816 18134 5294 1 15 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.300 0.310 18134 5295 1 15 . 1 1 100 100 GLY H H 100 7.540 7.540 8.455 -0.915 18134 5296 1 16 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.052 0.458 18134 5297 1 16 . 1 1 22 22 ILE CA C 22 63.400 63.400 62.778 0.623 18134 5298 1 16 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.325 0.826 18134 5299 1 16 . 1 1 23 23 SER N N 23 120.770 120.770 113.725 7.045 18134 5300 1 16 . 1 1 23 23 SER HA H 23 4.170 4.170 4.198 -0.028 18134 5301 1 16 . 1 1 23 23 SER H H 23 8.370 8.370 7.862 0.508 18134 5302 1 16 . 1 1 26 26 ARG N N 26 123.960 123.960 121.449 2.511 18134 5303 1 16 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.782 -0.362 18134 5304 1 16 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.752 0.648 18134 5305 1 16 . 1 1 26 26 ARG CB C 26 30.220 30.220 31.195 -0.975 18134 5306 1 16 . 1 1 26 26 ARG H H 26 8.160 8.160 8.457 -0.297 18134 5307 1 16 . 1 1 27 27 THR N N 27 117.400 117.400 115.190 2.210 18134 5308 1 16 . 1 1 27 27 THR HA H 27 4.240 4.240 4.543 -0.303 18134 5309 1 16 . 1 1 27 27 THR CA C 27 61.710 61.710 61.385 0.325 18134 5310 1 16 . 1 1 27 27 THR CB C 27 70.280 70.280 69.900 0.380 18134 5311 1 16 . 1 1 27 27 THR H H 27 8.150 8.150 8.146 0.004 18134 5312 1 16 . 1 1 28 28 LEU N N 28 125.240 125.240 120.372 4.868 18134 5313 1 16 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.570 -0.270 18134 5314 1 16 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.459 1.341 18134 5315 1 16 . 1 1 28 28 LEU CB C 28 42.650 42.650 45.624 -2.974 18134 5316 1 16 . 1 1 28 28 LEU H H 28 8.230 8.230 8.532 -0.302 18134 5317 1 16 . 1 1 29 29 GLU N N 29 123.420 123.420 120.611 2.809 18134 5318 1 16 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.494 -0.194 18134 5319 1 16 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.649 1.481 18134 5320 1 16 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.194 0.146 18134 5321 1 16 . 1 1 29 29 GLU H H 29 8.360 8.360 8.359 0.001 18134 5322 1 16 . 1 1 30 30 GLN N N 30 122.830 122.830 120.020 2.810 18134 5323 1 16 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.229 0.311 18134 5324 1 16 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.457 -0.537 18134 5325 1 16 . 1 1 30 30 GLN CB C 30 31.300 31.300 28.832 2.468 18134 5326 1 16 . 1 1 30 30 GLN H H 30 8.090 8.090 7.885 0.205 18134 5327 1 16 . 1 1 31 31 SER N N 31 120.590 120.590 117.447 3.143 18134 5328 1 16 . 1 1 31 31 SER HA H 31 4.700 4.700 4.290 0.410 18134 5329 1 16 . 1 1 31 31 SER CA C 31 57.610 57.610 57.439 0.171 18134 5330 1 16 . 1 1 31 31 SER CB C 31 65.900 65.900 63.981 1.919 18134 5331 1 16 . 1 1 31 31 SER H H 31 8.760 8.760 8.135 0.625 18134 5332 1 16 . 1 1 32 32 VAL N N 32 124.160 124.160 122.115 2.045 18134 5333 1 16 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.087 -0.317 18134 5334 1 16 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.319 0.312 18134 5335 1 16 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.844 0.426 18134 5336 1 16 . 1 1 32 32 VAL H H 32 9.030 9.030 8.982 0.048 18134 5337 1 16 . 1 1 33 33 GLY N N 33 110.070 110.070 107.160 2.910 18134 5338 1 16 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.665 0.535 18134 5339 1 16 . 1 1 33 33 GLY H H 33 9.020 9.020 8.358 0.662 18134 5340 1 16 . 1 1 34 34 GLU N N 34 124.850 124.850 123.357 1.493 18134 5341 1 16 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.119 -0.039 18134 5342 1 16 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.977 0.443 18134 5343 1 16 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.003 1.337 18134 5344 1 16 . 1 1 34 34 GLU H H 34 7.960 7.960 8.550 -0.590 18134 5345 1 16 . 1 1 35 35 TRP N N 35 125.670 125.670 120.738 4.932 18134 5346 1 16 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.319 -0.079 18134 5347 1 16 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.454 1.256 18134 5348 1 16 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.177 -0.897 18134 5349 1 16 . 1 1 35 35 TRP H H 35 8.580 8.580 8.317 0.263 18134 5350 1 16 . 1 1 36 36 LEU N N 36 121.440 121.440 118.611 2.829 18134 5351 1 16 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.412 -0.062 18134 5352 1 16 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.795 -0.425 18134 5353 1 16 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.245 0.675 18134 5354 1 16 . 1 1 36 36 LEU H H 36 9.130 9.130 8.458 0.672 18134 5355 1 16 . 1 1 37 37 GLU N N 37 122.290 122.290 119.639 2.651 18134 5356 1 16 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.963 0.047 18134 5357 1 16 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.421 -0.361 18134 5358 1 16 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.257 -0.197 18134 5359 1 16 . 1 1 37 37 GLU H H 37 8.250 8.250 8.509 -0.259 18134 5360 1 16 . 1 1 38 38 SER N N 38 118.850 118.850 113.017 5.833 18134 5361 1 16 . 1 1 38 38 SER HA H 38 4.280 4.280 4.331 -0.051 18134 5362 1 16 . 1 1 38 38 SER CA C 38 61.820 61.820 60.446 1.374 18134 5363 1 16 . 1 1 38 38 SER CB C 38 63.650 63.650 63.538 0.112 18134 5364 1 16 . 1 1 38 38 SER H H 38 7.850 7.850 7.830 0.020 18134 5365 1 16 . 1 1 39 39 ILE N N 39 115.190 115.190 112.132 3.058 18134 5366 1 16 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.442 0.068 18134 5367 1 16 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.913 0.077 18134 5368 1 16 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.434 -0.775 18134 5369 1 16 . 1 1 39 39 ILE H H 39 6.940 6.940 7.226 -0.286 18134 5370 1 16 . 1 1 40 40 GLY N N 40 112.250 112.250 108.880 3.370 18134 5371 1 16 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.524 1.656 18134 5372 1 16 . 1 1 40 40 GLY H H 40 7.630 7.630 7.971 -0.341 18134 5373 1 16 . 1 1 41 41 LEU N N 41 121.470 121.470 119.393 2.077 18134 5374 1 16 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.660 0.111 18134 5375 1 16 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.343 0.287 18134 5376 1 16 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.578 0.552 18134 5377 1 16 . 1 1 41 41 LEU H H 41 7.810 7.810 8.268 -0.458 18134 5378 1 16 . 1 1 42 42 GLN N N 42 122.310 122.310 120.080 2.230 18134 5379 1 16 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.868 0.022 18134 5380 1 16 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.564 -0.154 18134 5381 1 16 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.284 -0.724 18134 5382 1 16 . 1 1 42 42 GLN H H 42 9.070 9.070 7.948 1.122 18134 5383 1 16 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.038 0.202 18134 5384 1 16 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.267 -0.267 18134 5385 1 16 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.379 -0.059 18134 5386 1 16 . 1 1 44 44 TYR N N 44 121.180 121.180 120.850 0.330 18134 5387 1 16 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.540 0.250 18134 5388 1 16 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.712 1.867 18134 5389 1 16 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.112 0.188 18134 5390 1 16 . 1 1 44 44 TYR H H 44 7.640 7.640 7.723 -0.083 18134 5391 1 16 . 1 1 45 45 GLU N N 45 124.810 124.810 120.952 3.858 18134 5392 1 16 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.864 -0.254 18134 5393 1 16 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.940 1.650 18134 5394 1 16 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.200 0.890 18134 5395 1 16 . 1 1 45 45 GLU H H 45 7.850 7.850 7.725 0.125 18134 5396 1 16 . 1 1 46 46 SER N N 46 114.660 114.660 114.719 -0.059 18134 5397 1 16 . 1 1 46 46 SER HA H 46 4.000 4.000 4.182 -0.182 18134 5398 1 16 . 1 1 46 46 SER CA C 46 62.920 62.920 61.789 1.131 18134 5399 1 16 . 1 1 46 46 SER H H 46 8.790 8.790 8.152 0.638 18134 5400 1 16 . 1 1 47 47 LYS N N 47 122.810 122.810 120.983 1.827 18134 5401 1 16 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.118 0.002 18134 5402 1 16 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.764 0.796 18134 5403 1 16 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.484 0.466 18134 5404 1 16 . 1 1 47 47 LYS H H 47 7.810 7.810 7.607 0.203 18134 5405 1 16 . 1 1 48 48 LEU N N 48 121.420 121.420 119.396 2.024 18134 5406 1 16 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.295 -0.085 18134 5407 1 16 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.270 3.151 18134 5408 1 16 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.153 -1.802 18134 5409 1 16 . 1 1 48 48 LEU H H 48 8.010 8.010 7.521 0.489 18134 5410 1 16 . 1 1 49 49 LEU N N 49 121.260 121.260 120.491 0.769 18134 5411 1 16 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.499 -0.609 18134 5412 1 16 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.418 1.642 18134 5413 1 16 . 1 1 49 49 LEU CB C 49 41.920 41.920 43.018 -1.098 18134 5414 1 16 . 1 1 49 49 LEU H H 49 8.520 8.520 7.605 0.915 18134 5415 1 16 . 1 1 50 50 LEU N N 50 121.260 121.260 121.196 0.064 18134 5416 1 16 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.281 -0.061 18134 5417 1 16 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.318 0.692 18134 5418 1 16 . 1 1 50 50 LEU CB C 50 42.160 42.160 40.998 1.162 18134 5419 1 16 . 1 1 50 50 LEU H H 50 8.530 8.530 8.512 0.018 18134 5420 1 16 . 1 1 51 51 ASN N N 51 116.660 116.660 117.227 -0.567 18134 5421 1 16 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.831 0.009 18134 5422 1 16 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.028 1.082 18134 5423 1 16 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.952 2.008 18134 5424 1 16 . 1 1 51 51 ASN H H 51 7.280 7.280 7.801 -0.521 18134 5425 1 16 . 1 1 52 52 GLY N N 52 107.530 107.530 107.713 -0.183 18134 5426 1 16 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.252 -0.122 18134 5427 1 16 . 1 1 52 52 GLY H H 52 7.720 7.720 8.065 -0.345 18134 5428 1 16 . 1 1 53 53 PHE N N 53 123.430 123.430 118.526 4.904 18134 5429 1 16 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.859 -0.059 18134 5430 1 16 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.454 0.196 18134 5431 1 16 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.048 -1.948 18134 5432 1 16 . 1 1 53 53 PHE H H 53 8.210 8.210 7.654 0.556 18134 5433 1 16 . 1 1 54 54 ASP N N 54 117.170 117.170 120.295 -3.125 18134 5434 1 16 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.560 0.010 18134 5435 1 16 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.467 -1.477 18134 5436 1 16 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.764 1.036 18134 5437 1 16 . 1 1 54 54 ASP H H 54 7.720 7.720 8.383 -0.663 18134 5438 1 16 . 1 1 55 55 ASP N N 55 121.390 121.390 120.748 0.642 18134 5439 1 16 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.607 0.053 18134 5440 1 16 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.081 -0.811 18134 5441 1 16 . 1 1 55 55 ASP H H 55 7.830 7.830 8.001 -0.171 18134 5442 1 16 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.741 -0.331 18134 5443 1 16 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.749 1.311 18134 5444 1 16 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.723 0.057 18134 5445 1 16 . 1 1 56 56 VAL H H 56 8.800 8.800 8.258 0.542 18134 5446 1 16 . 1 1 57 57 HIS N N 57 121.390 121.390 115.764 5.626 18134 5447 1 16 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.510 -0.310 18134 5448 1 16 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.802 -0.672 18134 5449 1 16 . 1 1 57 57 HIS H H 57 8.390 8.390 8.081 0.310 18134 5450 1 16 . 1 1 58 58 PHE N N 58 121.980 121.980 117.174 4.806 18134 5451 1 16 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.607 -0.247 18134 5452 1 16 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.727 2.422 18134 5453 1 16 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.022 -1.152 18134 5454 1 16 . 1 1 58 58 PHE H H 58 7.930 7.930 8.200 -0.270 18134 5455 1 16 . 1 1 59 59 LEU N N 59 121.800 121.800 119.748 2.052 18134 5456 1 16 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.223 -0.183 18134 5457 1 16 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.774 -0.044 18134 5458 1 16 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.422 0.498 18134 5459 1 16 . 1 1 59 59 LEU H H 59 7.730 7.730 7.542 0.188 18134 5460 1 16 . 1 1 60 60 GLY N N 60 106.180 106.180 103.218 2.962 18134 5461 1 16 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.827 1.274 18134 5462 1 16 . 1 1 60 60 GLY H H 60 7.800 7.800 8.480 -0.680 18134 5463 1 16 . 1 1 61 61 SER N N 61 116.150 116.150 115.305 0.845 18134 5464 1 16 . 1 1 61 61 SER HA H 61 4.770 4.770 4.149 0.621 18134 5465 1 16 . 1 1 61 61 SER CA C 61 59.370 59.370 59.534 -0.164 18134 5466 1 16 . 1 1 61 61 SER CB C 61 64.450 64.450 63.029 1.421 18134 5467 1 16 . 1 1 61 61 SER H H 61 7.610 7.610 7.600 0.010 18134 5468 1 16 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.377 0.293 18134 5469 1 16 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.145 -0.275 18134 5470 1 16 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.474 -0.324 18134 5471 1 16 . 1 1 63 63 VAL N N 63 120.030 120.030 120.758 -0.728 18134 5472 1 16 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.867 0.223 18134 5473 1 16 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.215 -1.534 18134 5474 1 16 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.561 0.309 18134 5475 1 16 . 1 1 63 63 VAL H H 63 7.770 7.770 8.434 -0.664 18134 5476 1 16 . 1 1 64 64 MET N N 64 125.400 125.400 117.276 8.124 18134 5477 1 16 . 1 1 64 64 MET HA H 64 4.460 4.460 4.159 0.301 18134 5478 1 16 . 1 1 64 64 MET CA C 64 55.610 55.610 56.034 -0.424 18134 5479 1 16 . 1 1 64 64 MET CB C 64 34.400 34.400 30.960 3.440 18134 5480 1 16 . 1 1 64 64 MET H H 64 7.900 7.900 8.231 -0.331 18134 5481 1 16 . 1 1 65 65 GLU N N 65 124.210 124.210 118.777 5.433 18134 5482 1 16 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.448 0.232 18134 5483 1 16 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.492 -0.772 18134 5484 1 16 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.215 0.785 18134 5485 1 16 . 1 1 65 65 GLU H H 65 8.810 8.810 8.154 0.656 18134 5486 1 16 . 1 1 66 66 GLU N N 66 125.500 125.500 119.643 5.857 18134 5487 1 16 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.858 -0.198 18134 5488 1 16 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.083 1.537 18134 5489 1 16 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.365 -0.115 18134 5490 1 16 . 1 1 66 66 GLU H H 66 9.290 9.290 8.919 0.371 18134 5491 1 16 . 1 1 67 67 GLN N N 67 119.780 119.780 119.439 0.341 18134 5492 1 16 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.025 -0.285 18134 5493 1 16 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.362 -0.302 18134 5494 1 16 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.209 0.872 18134 5495 1 16 . 1 1 67 67 GLN H H 67 9.090 9.090 8.539 0.551 18134 5496 1 16 . 1 1 68 68 ASP N N 68 119.450 119.450 120.212 -0.762 18134 5497 1 16 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.487 -0.027 18134 5498 1 16 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.479 0.321 18134 5499 1 16 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.693 0.697 18134 5500 1 16 . 1 1 68 68 ASP H H 68 7.400 7.400 7.456 -0.056 18134 5501 1 16 . 1 1 69 69 LEU N N 69 116.950 116.950 118.794 -1.844 18134 5502 1 16 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.949 0.191 18134 5503 1 16 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.403 -0.873 18134 5504 1 16 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.500 0.060 18134 5505 1 16 . 1 1 69 69 LEU H H 69 7.180 7.180 8.070 -0.890 18134 5506 1 16 . 1 1 70 70 ARG N N 70 123.140 123.140 119.582 3.558 18134 5507 1 16 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.101 -0.181 18134 5508 1 16 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.921 0.859 18134 5509 1 16 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.277 -0.057 18134 5510 1 16 . 1 1 70 70 ARG H H 70 7.990 7.990 8.201 -0.211 18134 5511 1 16 . 1 1 71 71 ASP N N 71 121.960 121.960 118.603 3.357 18134 5512 1 16 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.446 0.004 18134 5513 1 16 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.891 0.469 18134 5514 1 16 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.979 -0.429 18134 5515 1 16 . 1 1 71 71 ASP H H 71 8.460 8.460 8.125 0.335 18134 5516 1 16 . 1 1 72 72 ILE N N 72 112.900 112.900 110.893 2.007 18134 5517 1 16 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.305 0.185 18134 5518 1 16 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.250 -0.290 18134 5519 1 16 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.660 -0.360 18134 5520 1 16 . 1 1 72 72 ILE H H 72 7.180 7.180 7.516 -0.336 18134 5521 1 16 . 1 1 73 73 GLY N N 73 108.400 108.400 107.006 1.394 18134 5522 1 16 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.751 1.399 18134 5523 1 16 . 1 1 73 73 GLY H H 73 7.650 7.650 7.337 0.313 18134 5524 1 16 . 1 1 74 74 ILE N N 74 123.110 123.110 125.069 -1.959 18134 5525 1 16 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.415 0.715 18134 5526 1 16 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.258 -1.028 18134 5527 1 16 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.641 -2.201 18134 5528 1 16 . 1 1 74 74 ILE H H 74 7.860 7.860 7.656 0.204 18134 5529 1 16 . 1 1 75 75 SER HA H 75 3.820 3.820 4.581 -0.761 18134 5530 1 16 . 1 1 75 75 SER CA C 75 59.540 59.540 57.206 2.334 18134 5531 1 16 . 1 1 75 75 SER CB C 75 63.630 63.630 64.396 -0.766 18134 5532 1 16 . 1 1 76 76 ASP N N 76 127.640 127.640 123.118 4.522 18134 5533 1 16 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.964 -0.164 18134 5534 1 16 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.048 1.252 18134 5535 1 16 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.699 -0.659 18134 5536 1 16 . 1 1 76 76 ASP H H 76 8.000 8.000 7.757 0.243 18134 5537 1 16 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.294 -0.304 18134 5538 1 16 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.397 0.183 18134 5539 1 16 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.109 2.331 18134 5540 1 16 . 1 1 78 78 GLN N N 78 120.390 120.390 116.738 3.652 18134 5541 1 16 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.138 0.012 18134 5542 1 16 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.424 0.756 18134 5543 1 16 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.385 -0.585 18134 5544 1 16 . 1 1 78 78 GLN H H 78 8.200 8.200 8.795 -0.595 18134 5545 1 16 . 1 1 79 79 HIS N N 79 123.160 123.160 119.133 4.027 18134 5546 1 16 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.521 -0.121 18134 5547 1 16 . 1 1 79 79 HIS CA C 79 57.490 57.490 57.613 -0.123 18134 5548 1 16 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.158 1.022 18134 5549 1 16 . 1 1 79 79 HIS H H 79 8.060 8.060 7.933 0.127 18134 5550 1 16 . 1 1 80 80 ARG N N 80 118.250 118.250 119.365 -1.115 18134 5551 1 16 . 1 1 80 80 ARG HA H 80 3.760 3.760 3.990 -0.230 18134 5552 1 16 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.981 1.859 18134 5553 1 16 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.241 1.538 18134 5554 1 16 . 1 1 80 80 ARG H H 80 8.060 8.060 8.554 -0.494 18134 5555 1 16 . 1 1 81 81 ARG N N 81 118.850 118.850 118.803 0.047 18134 5556 1 16 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.224 -0.294 18134 5557 1 16 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.857 1.413 18134 5558 1 16 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.133 0.087 18134 5559 1 16 . 1 1 81 81 ARG H H 81 7.700 7.700 7.857 -0.157 18134 5560 1 16 . 1 1 82 82 LYS N N 82 121.700 121.700 121.200 0.500 18134 5561 1 16 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.044 0.006 18134 5562 1 16 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.690 -0.030 18134 5563 1 16 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.162 0.948 18134 5564 1 16 . 1 1 82 82 LYS H H 82 8.030 8.030 7.577 0.453 18134 5565 1 16 . 1 1 83 83 LEU N N 83 122.310 122.310 119.510 2.800 18134 5566 1 16 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.059 -0.249 18134 5567 1 16 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.754 0.706 18134 5568 1 16 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.337 1.313 18134 5569 1 16 . 1 1 83 83 LEU H H 83 8.130 8.130 8.329 -0.199 18134 5570 1 16 . 1 1 84 84 LEU N N 84 119.760 119.760 119.251 0.509 18134 5571 1 16 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.110 -0.140 18134 5572 1 16 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.354 0.986 18134 5573 1 16 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.644 0.396 18134 5574 1 16 . 1 1 84 84 LEU H H 84 8.030 8.030 7.494 0.536 18134 5575 1 16 . 1 1 85 85 GLN N N 85 119.520 119.520 119.593 -0.073 18134 5576 1 16 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.162 -0.162 18134 5577 1 16 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.006 -0.006 18134 5578 1 16 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.869 0.021 18134 5579 1 16 . 1 1 85 85 GLN H H 85 8.340 8.340 8.263 0.077 18134 5580 1 16 . 1 1 86 86 ALA N N 86 124.280 124.280 120.337 3.943 18134 5581 1 16 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.486 -0.196 18134 5582 1 16 . 1 1 86 86 ALA CA C 86 55.200 55.200 53.980 1.220 18134 5583 1 16 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.980 0.370 18134 5584 1 16 . 1 1 86 86 ALA H H 86 8.320 8.320 8.205 0.115 18134 5585 1 16 . 1 1 87 87 ALA N N 87 124.840 124.840 121.035 3.805 18134 5586 1 16 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.158 -0.108 18134 5587 1 16 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.305 1.015 18134 5588 1 16 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.241 -1.091 18134 5589 1 16 . 1 1 87 87 ALA H H 87 8.770 8.770 7.839 0.931 18134 5590 1 16 . 1 1 88 88 ARG N N 88 118.020 118.020 117.082 0.938 18134 5591 1 16 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.152 0.088 18134 5592 1 16 . 1 1 88 88 ARG CA C 88 58.090 58.090 57.942 0.148 18134 5593 1 16 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.480 -0.040 18134 5594 1 16 . 1 1 88 88 ARG H H 88 8.010 8.010 7.804 0.206 18134 5595 1 16 . 1 1 89 89 SER N N 89 115.060 115.060 112.551 2.509 18134 5596 1 16 . 1 1 89 89 SER HA H 89 4.530 4.530 4.333 0.197 18134 5597 1 16 . 1 1 89 89 SER CA C 89 58.630 58.630 59.199 -0.569 18134 5598 1 16 . 1 1 89 89 SER CB C 89 64.370 64.370 63.378 0.992 18134 5599 1 16 . 1 1 89 89 SER H H 89 7.620 7.620 7.716 -0.096 18134 5600 1 16 . 1 1 90 90 LEU N N 90 126.540 126.540 123.621 2.919 18134 5601 1 16 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.327 0.083 18134 5602 1 16 . 1 1 90 90 LEU CA C 90 54.470 54.470 53.706 0.764 18134 5603 1 16 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.952 -0.512 18134 5604 1 16 . 1 1 90 90 LEU H H 90 7.350 7.350 7.128 0.222 18134 5605 1 16 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.496 -0.106 18134 5606 1 16 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.677 0.603 18134 5607 1 16 . 1 1 91 91 PRO CB C 91 32.510 32.510 31.391 1.119 18134 5608 1 16 . 1 1 92 92 LYS N N 92 122.480 122.480 124.999 -2.519 18134 5609 1 16 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.165 0.155 18134 5610 1 16 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.236 0.044 18134 5611 1 16 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.911 0.439 18134 5612 1 16 . 1 1 92 92 LYS H H 92 8.330 8.330 8.489 -0.159 18134 5613 1 16 . 1 1 93 93 VAL N N 93 122.310 122.310 119.526 2.784 18134 5614 1 16 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.277 -0.207 18134 5615 1 16 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.246 1.884 18134 5616 1 16 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.633 -0.403 18134 5617 1 16 . 1 1 93 93 VAL H H 93 8.060 8.060 8.285 -0.225 18134 5618 1 16 . 1 1 94 94 LYS N N 94 127.330 127.330 127.851 -0.521 18134 5619 1 16 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.386 -0.096 18134 5620 1 16 . 1 1 94 94 LYS CA C 94 56.530 56.530 55.663 0.866 18134 5621 1 16 . 1 1 94 94 LYS CB C 94 33.470 33.470 29.466 4.004 18134 5622 1 16 . 1 1 94 94 LYS H H 94 8.340 8.340 8.703 -0.363 18134 5623 1 16 . 1 1 95 95 ALA N N 95 127.620 127.620 122.338 5.282 18134 5624 1 16 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.421 -0.151 18134 5625 1 16 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.348 1.632 18134 5626 1 16 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.991 -0.641 18134 5627 1 16 . 1 1 95 95 ALA H H 95 8.290 8.290 7.599 0.691 18134 5628 1 16 . 1 1 96 96 LEU N N 96 123.670 123.670 119.908 3.762 18134 5629 1 16 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.042 0.258 18134 5630 1 16 . 1 1 96 96 LEU CA C 96 56.530 56.530 54.380 2.150 18134 5631 1 16 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.250 0.400 18134 5632 1 16 . 1 1 96 96 LEU H H 96 8.240 8.240 8.616 -0.376 18134 5633 1 16 . 1 1 97 97 GLY N N 97 111.540 111.540 111.995 -0.455 18134 5634 1 16 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.045 0.735 18134 5635 1 16 . 1 1 97 97 GLY H H 97 8.400 8.400 8.174 0.226 18134 5636 1 16 . 1 1 98 98 TYR N N 98 122.570 122.570 120.159 2.411 18134 5637 1 16 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.119 0.471 18134 5638 1 16 . 1 1 98 98 TYR CA C 98 58.340 58.340 58.467 -0.127 18134 5639 1 16 . 1 1 98 98 TYR CB C 98 39.150 39.150 37.562 1.588 18134 5640 1 16 . 1 1 98 98 TYR H H 98 8.060 8.060 7.966 0.094 18134 5641 1 16 . 1 1 99 99 ASP N N 99 124.880 124.880 118.849 6.031 18134 5642 1 16 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.922 -0.362 18134 5643 1 16 . 1 1 99 99 ASP CA C 99 55.400 55.400 55.724 -0.324 18134 5644 1 16 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.741 -0.091 18134 5645 1 16 . 1 1 99 99 ASP H H 99 8.350 8.350 8.584 -0.234 18134 5646 1 16 . 1 1 100 100 GLY N N 100 110.340 110.340 108.316 2.024 18134 5647 1 16 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.979 0.631 18134 5648 1 16 . 1 1 100 100 GLY H H 100 7.540 7.540 7.896 -0.356 18134 5649 1 17 . 1 1 22 22 ILE HA H 22 4.510 4.510 5.210 -0.700 18134 5650 1 17 . 1 1 22 22 ILE CA C 22 63.400 63.400 60.517 2.883 18134 5651 1 17 . 1 1 22 22 ILE CB C 22 39.150 39.150 40.461 -1.311 18134 5652 1 17 . 1 1 23 23 SER N N 23 120.770 120.770 115.769 5.001 18134 5653 1 17 . 1 1 23 23 SER HA H 23 4.170 4.170 5.114 -0.944 18134 5654 1 17 . 1 1 23 23 SER H H 23 8.370 8.370 9.038 -0.668 18134 5655 1 17 . 1 1 26 26 ARG N N 26 123.960 123.960 118.865 5.095 18134 5656 1 17 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.509 -0.089 18134 5657 1 17 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.664 0.736 18134 5658 1 17 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.310 -0.090 18134 5659 1 17 . 1 1 26 26 ARG H H 26 8.160 8.160 8.374 -0.214 18134 5660 1 17 . 1 1 27 27 THR N N 27 117.400 117.400 114.476 2.924 18134 5661 1 17 . 1 1 27 27 THR HA H 27 4.240 4.240 4.502 -0.262 18134 5662 1 17 . 1 1 27 27 THR CA C 27 61.710 61.710 61.912 -0.202 18134 5663 1 17 . 1 1 27 27 THR CB C 27 70.280 70.280 69.974 0.306 18134 5664 1 17 . 1 1 27 27 THR H H 27 8.150 8.150 8.044 0.106 18134 5665 1 17 . 1 1 28 28 LEU N N 28 125.240 125.240 117.956 7.284 18134 5666 1 17 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.403 -0.103 18134 5667 1 17 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.737 1.063 18134 5668 1 17 . 1 1 28 28 LEU CB C 28 42.650 42.650 44.322 -1.672 18134 5669 1 17 . 1 1 28 28 LEU H H 28 8.230 8.230 7.755 0.475 18134 5670 1 17 . 1 1 29 29 GLU N N 29 123.420 123.420 114.820 8.600 18134 5671 1 17 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.007 0.293 18134 5672 1 17 . 1 1 29 29 GLU CA C 29 57.130 57.130 57.343 -0.213 18134 5673 1 17 . 1 1 29 29 GLU CB C 29 30.340 30.340 27.855 2.485 18134 5674 1 17 . 1 1 29 29 GLU H H 29 8.360 8.360 8.348 0.012 18134 5675 1 17 . 1 1 30 30 GLN N N 30 122.830 122.830 116.897 5.933 18134 5676 1 17 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.567 -0.028 18134 5677 1 17 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.349 1.571 18134 5678 1 17 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.300 1.000 18134 5679 1 17 . 1 1 30 30 GLN H H 30 8.090 8.090 7.703 0.387 18134 5680 1 17 . 1 1 31 31 SER N N 31 120.590 120.590 119.589 1.001 18134 5681 1 17 . 1 1 31 31 SER HA H 31 4.700 4.700 4.341 0.359 18134 5682 1 17 . 1 1 31 31 SER CA C 31 57.610 57.610 58.034 -0.424 18134 5683 1 17 . 1 1 31 31 SER CB C 31 65.900 65.900 63.774 2.126 18134 5684 1 17 . 1 1 31 31 SER H H 31 8.760 8.760 8.680 0.080 18134 5685 1 17 . 1 1 32 32 VAL N N 32 124.160 124.160 122.152 2.008 18134 5686 1 17 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.051 -0.281 18134 5687 1 17 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.972 0.659 18134 5688 1 17 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.114 1.155 18134 5689 1 17 . 1 1 32 32 VAL H H 32 9.030 9.030 9.010 0.020 18134 5690 1 17 . 1 1 33 33 GLY N N 33 110.070 110.070 107.175 2.895 18134 5691 1 17 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.785 0.415 18134 5692 1 17 . 1 1 33 33 GLY H H 33 9.020 9.020 8.593 0.427 18134 5693 1 17 . 1 1 34 34 GLU N N 34 124.850 124.850 122.744 2.106 18134 5694 1 17 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.051 0.029 18134 5695 1 17 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.595 0.825 18134 5696 1 17 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.895 1.446 18134 5697 1 17 . 1 1 34 34 GLU H H 34 7.960 7.960 8.071 -0.111 18134 5698 1 17 . 1 1 35 35 TRP N N 35 125.670 125.670 121.391 4.279 18134 5699 1 17 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.631 -0.391 18134 5700 1 17 . 1 1 35 35 TRP CA C 35 61.710 61.710 59.935 1.774 18134 5701 1 17 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.005 -0.725 18134 5702 1 17 . 1 1 35 35 TRP H H 35 8.580 8.580 8.383 0.197 18134 5703 1 17 . 1 1 36 36 LEU N N 36 121.440 121.440 117.379 4.061 18134 5704 1 17 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.395 -0.045 18134 5705 1 17 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.662 -0.292 18134 5706 1 17 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.305 0.615 18134 5707 1 17 . 1 1 36 36 LEU H H 36 9.130 9.130 8.314 0.816 18134 5708 1 17 . 1 1 37 37 GLU N N 37 122.290 122.290 119.486 2.804 18134 5709 1 17 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.999 0.011 18134 5710 1 17 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.274 -0.214 18134 5711 1 17 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.261 -0.201 18134 5712 1 17 . 1 1 37 37 GLU H H 37 8.250 8.250 8.410 -0.160 18134 5713 1 17 . 1 1 38 38 SER N N 38 118.850 118.850 113.060 5.790 18134 5714 1 17 . 1 1 38 38 SER HA H 38 4.280 4.280 4.294 -0.014 18134 5715 1 17 . 1 1 38 38 SER CA C 38 61.820 61.820 60.618 1.202 18134 5716 1 17 . 1 1 38 38 SER CB C 38 63.650 63.650 63.317 0.333 18134 5717 1 17 . 1 1 38 38 SER H H 38 7.850 7.850 7.862 -0.012 18134 5718 1 17 . 1 1 39 39 ILE N N 39 115.190 115.190 112.563 2.627 18134 5719 1 17 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.366 0.144 18134 5720 1 17 . 1 1 39 39 ILE CA C 39 60.990 60.990 61.202 -0.212 18134 5721 1 17 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.757 -1.097 18134 5722 1 17 . 1 1 39 39 ILE H H 39 6.940 6.940 7.195 -0.255 18134 5723 1 17 . 1 1 40 40 GLY N N 40 112.250 112.250 108.801 3.449 18134 5724 1 17 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.301 1.879 18134 5725 1 17 . 1 1 40 40 GLY H H 40 7.630 7.630 8.028 -0.398 18134 5726 1 17 . 1 1 41 41 LEU N N 41 121.470 121.470 118.784 2.686 18134 5727 1 17 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.440 0.330 18134 5728 1 17 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.477 0.153 18134 5729 1 17 . 1 1 41 41 LEU CB C 41 43.130 43.130 41.579 1.551 18134 5730 1 17 . 1 1 41 41 LEU H H 41 7.810 7.810 8.280 -0.470 18134 5731 1 17 . 1 1 42 42 GLN N N 42 122.310 122.310 120.402 1.908 18134 5732 1 17 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.857 0.033 18134 5733 1 17 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.565 -0.154 18134 5734 1 17 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.314 -0.754 18134 5735 1 17 . 1 1 42 42 GLN H H 42 9.070 9.070 7.964 1.106 18134 5736 1 17 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.042 0.198 18134 5737 1 17 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.443 -0.443 18134 5738 1 17 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.777 -0.457 18134 5739 1 17 . 1 1 44 44 TYR N N 44 121.180 121.180 120.095 1.085 18134 5740 1 17 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.423 0.367 18134 5741 1 17 . 1 1 44 44 TYR CA C 44 58.580 58.580 58.303 0.277 18134 5742 1 17 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.296 0.004 18134 5743 1 17 . 1 1 44 44 TYR H H 44 7.640 7.640 8.101 -0.461 18134 5744 1 17 . 1 1 45 45 GLU N N 45 124.810 124.810 121.154 3.656 18134 5745 1 17 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.848 -0.238 18134 5746 1 17 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.210 1.380 18134 5747 1 17 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.409 0.681 18134 5748 1 17 . 1 1 45 45 GLU H H 45 7.850 7.850 7.832 0.018 18134 5749 1 17 . 1 1 46 46 SER N N 46 114.660 114.660 114.770 -0.110 18134 5750 1 17 . 1 1 46 46 SER HA H 46 4.000 4.000 4.147 -0.147 18134 5751 1 17 . 1 1 46 46 SER CA C 46 62.920 62.920 61.839 1.081 18134 5752 1 17 . 1 1 46 46 SER H H 46 8.790 8.790 8.365 0.425 18134 5753 1 17 . 1 1 47 47 LYS N N 47 122.810 122.810 122.143 0.667 18134 5754 1 17 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.108 0.012 18134 5755 1 17 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.849 0.711 18134 5756 1 17 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.362 0.588 18134 5757 1 17 . 1 1 47 47 LYS H H 47 7.810 7.810 8.130 -0.320 18134 5758 1 17 . 1 1 48 48 LEU N N 48 121.420 121.420 118.496 2.924 18134 5759 1 17 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.298 -0.088 18134 5760 1 17 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.326 3.094 18134 5761 1 17 . 1 1 48 48 LEU CB C 48 40.350 40.350 42.096 -1.746 18134 5762 1 17 . 1 1 48 48 LEU H H 48 8.010 8.010 8.397 -0.387 18134 5763 1 17 . 1 1 49 49 LEU N N 49 121.260 121.260 120.093 1.167 18134 5764 1 17 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.418 -0.528 18134 5765 1 17 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.195 1.865 18134 5766 1 17 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.695 -0.775 18134 5767 1 17 . 1 1 49 49 LEU H H 49 8.520 8.520 7.737 0.783 18134 5768 1 17 . 1 1 50 50 LEU N N 50 121.260 121.260 120.011 1.249 18134 5769 1 17 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.223 -0.003 18134 5770 1 17 . 1 1 50 50 LEU CA C 50 57.010 57.010 56.494 0.516 18134 5771 1 17 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.179 -0.020 18134 5772 1 17 . 1 1 50 50 LEU H H 50 8.530 8.530 8.597 -0.067 18134 5773 1 17 . 1 1 51 51 ASN N N 51 116.660 116.660 117.616 -0.956 18134 5774 1 17 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.807 0.033 18134 5775 1 17 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.096 1.014 18134 5776 1 17 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.706 2.254 18134 5777 1 17 . 1 1 51 51 ASN H H 51 7.280 7.280 7.728 -0.448 18134 5778 1 17 . 1 1 52 52 GLY N N 52 107.530 107.530 107.653 -0.123 18134 5779 1 17 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.055 0.075 18134 5780 1 17 . 1 1 52 52 GLY H H 52 7.720 7.720 7.966 -0.246 18134 5781 1 17 . 1 1 53 53 PHE N N 53 123.430 123.430 119.288 4.142 18134 5782 1 17 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.735 0.065 18134 5783 1 17 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.802 -0.152 18134 5784 1 17 . 1 1 53 53 PHE CB C 53 38.100 38.100 40.217 -2.117 18134 5785 1 17 . 1 1 53 53 PHE H H 53 8.210 8.210 7.787 0.423 18134 5786 1 17 . 1 1 54 54 ASP N N 54 117.170 117.170 119.518 -2.348 18134 5787 1 17 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.614 -0.044 18134 5788 1 17 . 1 1 54 54 ASP CA C 54 53.990 53.990 54.815 -0.825 18134 5789 1 17 . 1 1 54 54 ASP CB C 54 41.800 41.800 41.092 0.708 18134 5790 1 17 . 1 1 54 54 ASP H H 54 7.720 7.720 8.381 -0.661 18134 5791 1 17 . 1 1 55 55 ASP N N 55 121.390 121.390 120.611 0.779 18134 5792 1 17 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.643 0.017 18134 5793 1 17 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.815 -1.545 18134 5794 1 17 . 1 1 55 55 ASP H H 55 7.830 7.830 7.888 -0.058 18134 5795 1 17 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.677 -0.267 18134 5796 1 17 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.747 1.313 18134 5797 1 17 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.451 0.329 18134 5798 1 17 . 1 1 56 56 VAL H H 56 8.800 8.800 8.341 0.459 18134 5799 1 17 . 1 1 57 57 HIS N N 57 121.390 121.390 115.454 5.936 18134 5800 1 17 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.519 -0.319 18134 5801 1 17 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.864 0.266 18134 5802 1 17 . 1 1 57 57 HIS H H 57 8.390 8.390 8.220 0.170 18134 5803 1 17 . 1 1 58 58 PHE N N 58 121.980 121.980 117.829 4.151 18134 5804 1 17 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.652 -0.292 18134 5805 1 17 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.892 1.258 18134 5806 1 17 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.385 -1.515 18134 5807 1 17 . 1 1 58 58 PHE H H 58 7.930 7.930 8.128 -0.198 18134 5808 1 17 . 1 1 59 59 LEU N N 59 121.800 121.800 121.141 0.659 18134 5809 1 17 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.454 -0.414 18134 5810 1 17 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.978 -0.248 18134 5811 1 17 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.810 0.110 18134 5812 1 17 . 1 1 59 59 LEU H H 59 7.730 7.730 7.651 0.079 18134 5813 1 17 . 1 1 60 60 GLY N N 60 106.180 106.180 102.825 3.355 18134 5814 1 17 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.228 0.871 18134 5815 1 17 . 1 1 60 60 GLY H H 60 7.800 7.800 8.504 -0.704 18134 5816 1 17 . 1 1 61 61 SER N N 61 116.150 116.150 114.865 1.285 18134 5817 1 17 . 1 1 61 61 SER HA H 61 4.770 4.770 4.493 0.277 18134 5818 1 17 . 1 1 61 61 SER CA C 61 59.370 59.370 58.182 1.188 18134 5819 1 17 . 1 1 61 61 SER CB C 61 64.450 64.450 63.935 0.515 18134 5820 1 17 . 1 1 61 61 SER H H 61 7.610 7.610 7.819 -0.209 18134 5821 1 17 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.546 0.124 18134 5822 1 17 . 1 1 62 62 ASN CA C 62 53.870 53.870 53.256 0.614 18134 5823 1 17 . 1 1 62 62 ASN CB C 62 39.150 39.150 38.657 0.493 18134 5824 1 17 . 1 1 63 63 VAL N N 63 120.030 120.030 119.335 0.695 18134 5825 1 17 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.842 0.248 18134 5826 1 17 . 1 1 63 63 VAL CA C 63 62.680 62.680 63.820 -1.140 18134 5827 1 17 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.148 0.723 18134 5828 1 17 . 1 1 63 63 VAL H H 63 7.770 7.770 8.315 -0.545 18134 5829 1 17 . 1 1 64 64 MET N N 64 125.400 125.400 117.243 8.157 18134 5830 1 17 . 1 1 64 64 MET HA H 64 4.460 4.460 4.286 0.174 18134 5831 1 17 . 1 1 64 64 MET CA C 64 55.610 55.610 56.154 -0.544 18134 5832 1 17 . 1 1 64 64 MET CB C 64 34.400 34.400 31.704 2.696 18134 5833 1 17 . 1 1 64 64 MET H H 64 7.900 7.900 8.285 -0.385 18134 5834 1 17 . 1 1 65 65 GLU N N 65 124.210 124.210 119.447 4.763 18134 5835 1 17 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.592 0.088 18134 5836 1 17 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.159 -0.439 18134 5837 1 17 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.966 1.034 18134 5838 1 17 . 1 1 65 65 GLU H H 65 8.810 8.810 7.975 0.835 18134 5839 1 17 . 1 1 66 66 GLU N N 66 125.500 125.500 121.046 4.454 18134 5840 1 17 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.806 -0.146 18134 5841 1 17 . 1 1 66 66 GLU CA C 66 61.620 61.620 59.679 1.941 18134 5842 1 17 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.479 -0.229 18134 5843 1 17 . 1 1 66 66 GLU H H 66 9.290 9.290 8.885 0.405 18134 5844 1 17 . 1 1 67 67 GLN N N 67 119.780 119.780 119.050 0.730 18134 5845 1 17 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.061 -0.321 18134 5846 1 17 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.330 -0.270 18134 5847 1 17 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.270 0.810 18134 5848 1 17 . 1 1 67 67 GLN H H 67 9.090 9.090 8.516 0.574 18134 5849 1 17 . 1 1 68 68 ASP N N 68 119.450 119.450 120.629 -1.179 18134 5850 1 17 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.501 -0.041 18134 5851 1 17 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.258 0.542 18134 5852 1 17 . 1 1 68 68 ASP CB C 68 41.390 41.390 41.000 0.390 18134 5853 1 17 . 1 1 68 68 ASP H H 68 7.400 7.400 7.785 -0.385 18134 5854 1 17 . 1 1 69 69 LEU N N 69 116.950 116.950 118.725 -1.775 18134 5855 1 17 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.935 0.205 18134 5856 1 17 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.193 -0.663 18134 5857 1 17 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.448 0.112 18134 5858 1 17 . 1 1 69 69 LEU H H 69 7.180 7.180 7.886 -0.706 18134 5859 1 17 . 1 1 70 70 ARG N N 70 123.140 123.140 119.602 3.538 18134 5860 1 17 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.082 -0.162 18134 5861 1 17 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.956 0.824 18134 5862 1 17 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.167 0.053 18134 5863 1 17 . 1 1 70 70 ARG H H 70 7.990 7.990 8.123 -0.133 18134 5864 1 17 . 1 1 71 71 ASP N N 71 121.960 121.960 118.655 3.305 18134 5865 1 17 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.452 -0.002 18134 5866 1 17 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.758 0.602 18134 5867 1 17 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.862 -0.312 18134 5868 1 17 . 1 1 71 71 ASP H H 71 8.460 8.460 8.144 0.316 18134 5869 1 17 . 1 1 72 72 ILE N N 72 112.900 112.900 111.006 1.894 18134 5870 1 17 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.457 0.033 18134 5871 1 17 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.548 -0.588 18134 5872 1 17 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.613 -0.313 18134 5873 1 17 . 1 1 72 72 ILE H H 72 7.180 7.180 7.529 -0.349 18134 5874 1 17 . 1 1 73 73 GLY N N 73 108.400 108.400 107.983 0.417 18134 5875 1 17 . 1 1 73 73 GLY CA C 73 46.150 46.150 45.116 1.034 18134 5876 1 17 . 1 1 73 73 GLY H H 73 7.650 7.650 7.182 0.468 18134 5877 1 17 . 1 1 74 74 ILE N N 74 123.110 123.110 125.205 -2.095 18134 5878 1 17 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.591 0.539 18134 5879 1 17 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.177 -0.947 18134 5880 1 17 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.214 -1.774 18134 5881 1 17 . 1 1 74 74 ILE H H 74 7.860 7.860 7.722 0.138 18134 5882 1 17 . 1 1 75 75 SER HA H 75 3.820 3.820 4.548 -0.728 18134 5883 1 17 . 1 1 75 75 SER CA C 75 59.540 59.540 57.540 2.000 18134 5884 1 17 . 1 1 75 75 SER CB C 75 63.630 63.630 64.427 -0.796 18134 5885 1 17 . 1 1 76 76 ASP N N 76 127.640 127.640 124.336 3.304 18134 5886 1 17 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.769 0.031 18134 5887 1 17 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.802 -0.502 18134 5888 1 17 . 1 1 76 76 ASP CB C 76 42.040 42.040 41.744 0.296 18134 5889 1 17 . 1 1 76 76 ASP H H 76 8.000 8.000 8.089 -0.089 18134 5890 1 17 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.233 -0.243 18134 5891 1 17 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.578 0.002 18134 5892 1 17 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.133 2.307 18134 5893 1 17 . 1 1 78 78 GLN N N 78 120.390 120.390 116.378 4.012 18134 5894 1 17 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.144 0.006 18134 5895 1 17 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.243 0.937 18134 5896 1 17 . 1 1 78 78 GLN CB C 78 27.800 27.800 28.189 -0.389 18134 5897 1 17 . 1 1 78 78 GLN H H 78 8.200 8.200 8.852 -0.652 18134 5898 1 17 . 1 1 79 79 HIS N N 79 123.160 123.160 116.224 6.936 18134 5899 1 17 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.589 -0.189 18134 5900 1 17 . 1 1 79 79 HIS CA C 79 57.490 57.490 57.043 0.447 18134 5901 1 17 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.338 0.842 18134 5902 1 17 . 1 1 79 79 HIS H H 79 8.060 8.060 7.860 0.200 18134 5903 1 17 . 1 1 80 80 ARG N N 80 118.250 118.250 120.535 -2.285 18134 5904 1 17 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.096 -0.336 18134 5905 1 17 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.793 2.047 18134 5906 1 17 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.480 1.300 18134 5907 1 17 . 1 1 80 80 ARG H H 80 8.060 8.060 8.331 -0.271 18134 5908 1 17 . 1 1 81 81 ARG N N 81 118.850 118.850 119.339 -0.489 18134 5909 1 17 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.110 -0.180 18134 5910 1 17 . 1 1 81 81 ARG CA C 81 60.270 60.270 59.200 1.070 18134 5911 1 17 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.926 0.294 18134 5912 1 17 . 1 1 81 81 ARG H H 81 7.700 7.700 8.216 -0.516 18134 5913 1 17 . 1 1 82 82 LYS N N 82 121.700 121.700 119.843 1.857 18134 5914 1 17 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.069 -0.019 18134 5915 1 17 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.711 -0.051 18134 5916 1 17 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.850 1.260 18134 5917 1 17 . 1 1 82 82 LYS H H 82 8.030 8.030 7.772 0.258 18134 5918 1 17 . 1 1 83 83 LEU N N 83 122.310 122.310 119.977 2.333 18134 5919 1 17 . 1 1 83 83 LEU HA H 83 3.810 3.810 3.990 -0.180 18134 5920 1 17 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.695 0.765 18134 5921 1 17 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.859 0.791 18134 5922 1 17 . 1 1 83 83 LEU H H 83 8.130 8.130 7.560 0.570 18134 5923 1 17 . 1 1 84 84 LEU N N 84 119.760 119.760 118.996 0.764 18134 5924 1 17 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.123 -0.153 18134 5925 1 17 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.367 0.973 18134 5926 1 17 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.655 0.385 18134 5927 1 17 . 1 1 84 84 LEU H H 84 8.030 8.030 7.651 0.379 18134 5928 1 17 . 1 1 85 85 GLN N N 85 119.520 119.520 119.720 -0.200 18134 5929 1 17 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.147 -0.147 18134 5930 1 17 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.004 -0.004 18134 5931 1 17 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.972 -0.082 18134 5932 1 17 . 1 1 85 85 GLN H H 85 8.340 8.340 8.178 0.162 18134 5933 1 17 . 1 1 86 86 ALA N N 86 124.280 124.280 119.989 4.291 18134 5934 1 17 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.298 -0.008 18134 5935 1 17 . 1 1 86 86 ALA CA C 86 55.200 55.200 53.813 1.387 18134 5936 1 17 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.968 0.382 18134 5937 1 17 . 1 1 86 86 ALA H H 86 8.320 8.320 8.450 -0.130 18134 5938 1 17 . 1 1 87 87 ALA N N 87 124.840 124.840 121.542 3.298 18134 5939 1 17 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.175 -0.125 18134 5940 1 17 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.962 1.358 18134 5941 1 17 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.403 -1.253 18134 5942 1 17 . 1 1 87 87 ALA H H 87 8.770 8.770 7.581 1.189 18134 5943 1 17 . 1 1 88 88 ARG N N 88 118.020 118.020 117.121 0.899 18134 5944 1 17 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.148 0.092 18134 5945 1 17 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.255 -0.165 18134 5946 1 17 . 1 1 88 88 ARG CB C 88 30.440 30.440 29.720 0.721 18134 5947 1 17 . 1 1 88 88 ARG H H 88 8.010 8.010 7.800 0.210 18134 5948 1 17 . 1 1 89 89 SER N N 89 115.060 115.060 114.935 0.125 18134 5949 1 17 . 1 1 89 89 SER HA H 89 4.530 4.530 4.367 0.163 18134 5950 1 17 . 1 1 89 89 SER CA C 89 58.630 58.630 59.304 -0.674 18134 5951 1 17 . 1 1 89 89 SER CB C 89 64.370 64.370 63.752 0.618 18134 5952 1 17 . 1 1 89 89 SER H H 89 7.620 7.620 7.687 -0.067 18134 5953 1 17 . 1 1 90 90 LEU N N 90 126.540 126.540 123.888 2.652 18134 5954 1 17 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.338 0.072 18134 5955 1 17 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.427 0.043 18134 5956 1 17 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.665 -0.225 18134 5957 1 17 . 1 1 90 90 LEU H H 90 7.350 7.350 7.003 0.347 18134 5958 1 17 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.552 -0.162 18134 5959 1 17 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.201 1.079 18134 5960 1 17 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.206 0.304 18134 5961 1 17 . 1 1 92 92 LYS N N 92 122.480 122.480 120.840 1.640 18134 5962 1 17 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.080 0.240 18134 5963 1 17 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.093 0.187 18134 5964 1 17 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.175 1.175 18134 5965 1 17 . 1 1 92 92 LYS H H 92 8.330 8.330 8.198 0.132 18134 5966 1 17 . 1 1 93 93 VAL N N 93 122.310 122.310 122.909 -0.599 18134 5967 1 17 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.046 0.024 18134 5968 1 17 . 1 1 93 93 VAL CA C 93 63.130 63.130 62.345 0.785 18134 5969 1 17 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.691 0.539 18134 5970 1 17 . 1 1 93 93 VAL H H 93 8.060 8.060 8.421 -0.361 18134 5971 1 17 . 1 1 94 94 LYS N N 94 127.330 127.330 126.979 0.351 18134 5972 1 17 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.043 0.247 18134 5973 1 17 . 1 1 94 94 LYS CA C 94 56.530 56.530 57.812 -1.282 18134 5974 1 17 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.233 1.238 18134 5975 1 17 . 1 1 94 94 LYS H H 94 8.340 8.340 8.735 -0.395 18134 5976 1 17 . 1 1 95 95 ALA N N 95 127.620 127.620 123.228 4.392 18134 5977 1 17 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.205 0.065 18134 5978 1 17 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.498 0.482 18134 5979 1 17 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.414 -0.064 18134 5980 1 17 . 1 1 95 95 ALA H H 95 8.290 8.290 7.740 0.550 18134 5981 1 17 . 1 1 96 96 LEU N N 96 123.670 123.670 116.826 6.844 18134 5982 1 17 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.865 -0.565 18134 5983 1 17 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.038 1.492 18134 5984 1 17 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.611 0.039 18134 5985 1 17 . 1 1 96 96 LEU H H 96 8.240 8.240 8.053 0.187 18134 5986 1 17 . 1 1 97 97 GLY N N 97 111.540 111.540 109.397 2.143 18134 5987 1 17 . 1 1 97 97 GLY CA C 97 45.780 45.780 46.008 -0.228 18134 5988 1 17 . 1 1 97 97 GLY H H 97 8.400 8.400 8.149 0.251 18134 5989 1 17 . 1 1 98 98 TYR N N 98 122.570 122.570 120.762 1.808 18134 5990 1 17 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.744 -0.154 18134 5991 1 17 . 1 1 98 98 TYR CA C 98 58.340 58.340 55.221 3.119 18134 5992 1 17 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.272 -0.122 18134 5993 1 17 . 1 1 98 98 TYR H H 98 8.060 8.060 8.272 -0.212 18134 5994 1 17 . 1 1 99 99 ASP N N 99 124.880 124.880 119.024 5.856 18134 5995 1 17 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.644 -0.084 18134 5996 1 17 . 1 1 99 99 ASP CA C 99 55.400 55.400 53.544 1.856 18134 5997 1 17 . 1 1 99 99 ASP CB C 99 41.650 41.650 41.487 0.163 18134 5998 1 17 . 1 1 99 99 ASP H H 99 8.350 8.350 7.660 0.690 18134 5999 1 17 . 1 1 100 100 GLY N N 100 110.340 110.340 108.338 2.002 18134 6000 1 17 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.254 0.356 18134 6001 1 17 . 1 1 100 100 GLY H H 100 7.540 7.540 8.512 -0.972 18134 6002 1 18 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.375 0.135 18134 6003 1 18 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.310 2.090 18134 6004 1 18 . 1 1 22 22 ILE CB C 22 39.150 39.150 39.434 -0.284 18134 6005 1 18 . 1 1 23 23 SER N N 23 120.770 120.770 116.737 4.033 18134 6006 1 18 . 1 1 23 23 SER HA H 23 4.170 4.170 4.565 -0.395 18134 6007 1 18 . 1 1 23 23 SER H H 23 8.370 8.370 8.550 -0.180 18134 6008 1 18 . 1 1 26 26 ARG N N 26 123.960 123.960 121.299 2.661 18134 6009 1 18 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.106 0.314 18134 6010 1 18 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.417 -0.017 18134 6011 1 18 . 1 1 26 26 ARG CB C 26 30.220 30.220 28.697 1.523 18134 6012 1 18 . 1 1 26 26 ARG H H 26 8.160 8.160 8.146 0.014 18134 6013 1 18 . 1 1 27 27 THR N N 27 117.400 117.400 112.429 4.971 18134 6014 1 18 . 1 1 27 27 THR HA H 27 4.240 4.240 4.412 -0.172 18134 6015 1 18 . 1 1 27 27 THR CA C 27 61.710 61.710 61.085 0.625 18134 6016 1 18 . 1 1 27 27 THR CB C 27 70.280 70.280 69.879 0.401 18134 6017 1 18 . 1 1 27 27 THR H H 27 8.150 8.150 8.067 0.083 18134 6018 1 18 . 1 1 28 28 LEU N N 28 125.240 125.240 122.760 2.480 18134 6019 1 18 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.444 -0.144 18134 6020 1 18 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.036 0.764 18134 6021 1 18 . 1 1 28 28 LEU CB C 28 42.650 42.650 41.739 0.911 18134 6022 1 18 . 1 1 28 28 LEU H H 28 8.230 8.230 8.127 0.103 18134 6023 1 18 . 1 1 29 29 GLU N N 29 123.420 123.420 117.122 6.298 18134 6024 1 18 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.041 0.259 18134 6025 1 18 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.986 0.144 18134 6026 1 18 . 1 1 29 29 GLU CB C 29 30.340 30.340 27.796 2.544 18134 6027 1 18 . 1 1 29 29 GLU H H 29 8.360 8.360 8.149 0.211 18134 6028 1 18 . 1 1 30 30 GLN N N 30 122.830 122.830 119.113 3.717 18134 6029 1 18 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.199 0.341 18134 6030 1 18 . 1 1 30 30 GLN CA C 30 55.920 55.920 56.283 -0.363 18134 6031 1 18 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.064 2.236 18134 6032 1 18 . 1 1 30 30 GLN H H 30 8.090 8.090 8.169 -0.079 18134 6033 1 18 . 1 1 31 31 SER N N 31 120.590 120.590 119.000 1.590 18134 6034 1 18 . 1 1 31 31 SER HA H 31 4.700 4.700 4.270 0.430 18134 6035 1 18 . 1 1 31 31 SER CA C 31 57.610 57.610 58.283 -0.673 18134 6036 1 18 . 1 1 31 31 SER CB C 31 65.900 65.900 63.845 2.055 18134 6037 1 18 . 1 1 31 31 SER H H 31 8.760 8.760 8.423 0.337 18134 6038 1 18 . 1 1 32 32 VAL N N 32 124.160 124.160 122.284 1.876 18134 6039 1 18 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.004 -0.234 18134 6040 1 18 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.328 0.302 18134 6041 1 18 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.453 0.818 18134 6042 1 18 . 1 1 32 32 VAL H H 32 9.030 9.030 8.926 0.104 18134 6043 1 18 . 1 1 33 33 GLY N N 33 110.070 110.070 107.154 2.916 18134 6044 1 18 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.555 0.645 18134 6045 1 18 . 1 1 33 33 GLY H H 33 9.020 9.020 8.471 0.549 18134 6046 1 18 . 1 1 34 34 GLU N N 34 124.850 124.850 123.310 1.540 18134 6047 1 18 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.125 -0.045 18134 6048 1 18 . 1 1 34 34 GLU CA C 34 59.420 59.420 59.069 0.351 18134 6049 1 18 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.026 1.315 18134 6050 1 18 . 1 1 34 34 GLU H H 34 7.960 7.960 8.542 -0.582 18134 6051 1 18 . 1 1 35 35 TRP N N 35 125.670 125.670 121.006 4.664 18134 6052 1 18 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.304 -0.064 18134 6053 1 18 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.427 1.283 18134 6054 1 18 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.193 -0.913 18134 6055 1 18 . 1 1 35 35 TRP H H 35 8.580 8.580 8.311 0.269 18134 6056 1 18 . 1 1 36 36 LEU N N 36 121.440 121.440 117.402 4.038 18134 6057 1 18 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.404 -0.054 18134 6058 1 18 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.685 -0.315 18134 6059 1 18 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.300 0.620 18134 6060 1 18 . 1 1 36 36 LEU H H 36 9.130 9.130 8.360 0.770 18134 6061 1 18 . 1 1 37 37 GLU N N 37 122.290 122.290 119.641 2.649 18134 6062 1 18 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.973 0.037 18134 6063 1 18 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.372 -0.312 18134 6064 1 18 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.316 -0.256 18134 6065 1 18 . 1 1 37 37 GLU H H 37 8.250 8.250 8.399 -0.149 18134 6066 1 18 . 1 1 38 38 SER N N 38 118.850 118.850 113.192 5.658 18134 6067 1 18 . 1 1 38 38 SER HA H 38 4.280 4.280 4.318 -0.038 18134 6068 1 18 . 1 1 38 38 SER CA C 38 61.820 61.820 60.744 1.076 18134 6069 1 18 . 1 1 38 38 SER CB C 38 63.650 63.650 63.459 0.191 18134 6070 1 18 . 1 1 38 38 SER H H 38 7.850 7.850 7.740 0.110 18134 6071 1 18 . 1 1 39 39 ILE N N 39 115.190 115.190 113.968 1.222 18134 6072 1 18 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.527 -0.017 18134 6073 1 18 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.708 0.282 18134 6074 1 18 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.326 -0.666 18134 6075 1 18 . 1 1 39 39 ILE H H 39 6.940 6.940 7.224 -0.284 18134 6076 1 18 . 1 1 40 40 GLY N N 40 112.250 112.250 108.770 3.480 18134 6077 1 18 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.431 1.748 18134 6078 1 18 . 1 1 40 40 GLY H H 40 7.630 7.630 7.944 -0.314 18134 6079 1 18 . 1 1 41 41 LEU N N 41 121.470 121.470 119.426 2.044 18134 6080 1 18 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.681 0.089 18134 6081 1 18 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.321 0.309 18134 6082 1 18 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.580 0.550 18134 6083 1 18 . 1 1 41 41 LEU H H 41 7.810 7.810 8.263 -0.453 18134 6084 1 18 . 1 1 42 42 GLN N N 42 122.310 122.310 120.114 2.196 18134 6085 1 18 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.871 0.019 18134 6086 1 18 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.592 -0.182 18134 6087 1 18 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.269 -0.709 18134 6088 1 18 . 1 1 42 42 GLN H H 42 9.070 9.070 7.953 1.117 18134 6089 1 18 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.043 0.197 18134 6090 1 18 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.280 -0.280 18134 6091 1 18 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.381 -0.061 18134 6092 1 18 . 1 1 44 44 TYR N N 44 121.180 121.180 120.812 0.368 18134 6093 1 18 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.547 0.243 18134 6094 1 18 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.716 1.864 18134 6095 1 18 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.114 0.186 18134 6096 1 18 . 1 1 44 44 TYR H H 44 7.640 7.640 7.729 -0.089 18134 6097 1 18 . 1 1 45 45 GLU N N 45 124.810 124.810 120.905 3.905 18134 6098 1 18 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.921 -0.311 18134 6099 1 18 . 1 1 45 45 GLU CA C 45 61.590 61.590 59.902 1.688 18134 6100 1 18 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.250 0.840 18134 6101 1 18 . 1 1 45 45 GLU H H 45 7.850 7.850 7.696 0.154 18134 6102 1 18 . 1 1 46 46 SER N N 46 114.660 114.660 115.042 -0.382 18134 6103 1 18 . 1 1 46 46 SER HA H 46 4.000 4.000 4.222 -0.222 18134 6104 1 18 . 1 1 46 46 SER CA C 46 62.920 62.920 61.733 1.187 18134 6105 1 18 . 1 1 46 46 SER H H 46 8.790 8.790 8.155 0.635 18134 6106 1 18 . 1 1 47 47 LYS N N 47 122.810 122.810 120.985 1.825 18134 6107 1 18 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.198 -0.078 18134 6108 1 18 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.495 1.065 18134 6109 1 18 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.436 0.514 18134 6110 1 18 . 1 1 47 47 LYS H H 47 7.810 7.810 7.663 0.147 18134 6111 1 18 . 1 1 48 48 LEU N N 48 121.420 121.420 119.554 1.866 18134 6112 1 18 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.345 -0.135 18134 6113 1 18 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.453 2.967 18134 6114 1 18 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.894 -1.544 18134 6115 1 18 . 1 1 48 48 LEU H H 48 8.010 8.010 7.629 0.381 18134 6116 1 18 . 1 1 49 49 LEU N N 49 121.260 121.260 120.788 0.472 18134 6117 1 18 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.420 -0.530 18134 6118 1 18 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.495 1.565 18134 6119 1 18 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.594 -0.674 18134 6120 1 18 . 1 1 49 49 LEU H H 49 8.520 8.520 7.640 0.880 18134 6121 1 18 . 1 1 50 50 LEU N N 50 121.260 121.260 120.669 0.591 18134 6122 1 18 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.070 0.150 18134 6123 1 18 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.419 -0.409 18134 6124 1 18 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.922 0.238 18134 6125 1 18 . 1 1 50 50 LEU H H 50 8.530 8.530 8.578 -0.048 18134 6126 1 18 . 1 1 51 51 ASN N N 51 116.660 116.660 115.543 1.117 18134 6127 1 18 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.816 0.024 18134 6128 1 18 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.183 0.927 18134 6129 1 18 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.943 2.017 18134 6130 1 18 . 1 1 51 51 ASN H H 51 7.280 7.280 7.778 -0.498 18134 6131 1 18 . 1 1 52 52 GLY N N 52 107.530 107.530 107.717 -0.187 18134 6132 1 18 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.423 -0.293 18134 6133 1 18 . 1 1 52 52 GLY H H 52 7.720 7.720 7.802 -0.082 18134 6134 1 18 . 1 1 53 53 PHE N N 53 123.430 123.430 118.707 4.723 18134 6135 1 18 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.695 0.105 18134 6136 1 18 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.203 0.448 18134 6137 1 18 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.313 -1.213 18134 6138 1 18 . 1 1 53 53 PHE H H 53 8.210 8.210 7.581 0.629 18134 6139 1 18 . 1 1 54 54 ASP N N 54 117.170 117.170 119.201 -2.031 18134 6140 1 18 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.512 0.058 18134 6141 1 18 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.493 -1.503 18134 6142 1 18 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.834 0.966 18134 6143 1 18 . 1 1 54 54 ASP H H 54 7.720 7.720 8.385 -0.665 18134 6144 1 18 . 1 1 55 55 ASP N N 55 121.390 121.390 121.535 -0.145 18134 6145 1 18 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.518 0.142 18134 6146 1 18 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.340 -1.070 18134 6147 1 18 . 1 1 55 55 ASP H H 55 7.830 7.830 8.133 -0.303 18134 6148 1 18 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.799 -0.389 18134 6149 1 18 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.807 1.253 18134 6150 1 18 . 1 1 56 56 VAL CB C 56 31.780 31.780 32.048 -0.268 18134 6151 1 18 . 1 1 56 56 VAL H H 56 8.800 8.800 8.432 0.368 18134 6152 1 18 . 1 1 57 57 HIS N N 57 121.390 121.390 116.586 4.804 18134 6153 1 18 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.552 -0.352 18134 6154 1 18 . 1 1 57 57 HIS CB C 57 29.130 29.130 29.560 -0.430 18134 6155 1 18 . 1 1 57 57 HIS H H 57 8.390 8.390 8.281 0.109 18134 6156 1 18 . 1 1 58 58 PHE N N 58 121.980 121.980 117.351 4.629 18134 6157 1 18 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.713 -0.353 18134 6158 1 18 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.388 2.762 18134 6159 1 18 . 1 1 58 58 PHE CB C 58 39.870 39.870 41.226 -1.356 18134 6160 1 18 . 1 1 58 58 PHE H H 58 7.930 7.930 7.727 0.203 18134 6161 1 18 . 1 1 59 59 LEU N N 59 121.800 121.800 120.773 1.027 18134 6162 1 18 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.258 -0.218 18134 6163 1 18 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.067 0.663 18134 6164 1 18 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.377 0.543 18134 6165 1 18 . 1 1 59 59 LEU H H 59 7.730 7.730 7.542 0.188 18134 6166 1 18 . 1 1 60 60 GLY N N 60 106.180 106.180 102.805 3.375 18134 6167 1 18 . 1 1 60 60 GLY CA C 60 46.100 46.100 44.544 1.556 18134 6168 1 18 . 1 1 60 60 GLY H H 60 7.800 7.800 8.308 -0.508 18134 6169 1 18 . 1 1 61 61 SER N N 61 116.150 116.150 115.530 0.620 18134 6170 1 18 . 1 1 61 61 SER HA H 61 4.770 4.770 4.199 0.571 18134 6171 1 18 . 1 1 61 61 SER CA C 61 59.370 59.370 58.866 0.504 18134 6172 1 18 . 1 1 61 61 SER CB C 61 64.450 64.450 63.361 1.089 18134 6173 1 18 . 1 1 61 61 SER H H 61 7.610 7.610 7.821 -0.211 18134 6174 1 18 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.418 0.252 18134 6175 1 18 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.248 -0.378 18134 6176 1 18 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.584 -0.434 18134 6177 1 18 . 1 1 63 63 VAL N N 63 120.030 120.030 122.111 -2.081 18134 6178 1 18 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.814 0.276 18134 6179 1 18 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.513 -1.833 18134 6180 1 18 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.357 0.513 18134 6181 1 18 . 1 1 63 63 VAL H H 63 7.770 7.770 8.415 -0.645 18134 6182 1 18 . 1 1 64 64 MET N N 64 125.400 125.400 116.197 9.203 18134 6183 1 18 . 1 1 64 64 MET HA H 64 4.460 4.460 4.181 0.279 18134 6184 1 18 . 1 1 64 64 MET CA C 64 55.610 55.610 55.891 -0.281 18134 6185 1 18 . 1 1 64 64 MET CB C 64 34.400 34.400 31.076 3.324 18134 6186 1 18 . 1 1 64 64 MET H H 64 7.900 7.900 8.161 -0.261 18134 6187 1 18 . 1 1 65 65 GLU N N 65 124.210 124.210 118.491 5.719 18134 6188 1 18 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.486 0.194 18134 6189 1 18 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.993 -1.273 18134 6190 1 18 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.128 1.873 18134 6191 1 18 . 1 1 65 65 GLU H H 65 8.810 8.810 8.088 0.722 18134 6192 1 18 . 1 1 66 66 GLU N N 66 125.500 125.500 119.606 5.894 18134 6193 1 18 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.950 -0.290 18134 6194 1 18 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.074 1.546 18134 6195 1 18 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.409 -0.159 18134 6196 1 18 . 1 1 66 66 GLU H H 66 9.290 9.290 8.868 0.422 18134 6197 1 18 . 1 1 67 67 GLN N N 67 119.780 119.780 119.648 0.132 18134 6198 1 18 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.060 -0.320 18134 6199 1 18 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.578 -0.518 18134 6200 1 18 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.125 0.956 18134 6201 1 18 . 1 1 67 67 GLN H H 67 9.090 9.090 8.370 0.720 18134 6202 1 18 . 1 1 68 68 ASP N N 68 119.450 119.450 118.798 0.652 18134 6203 1 18 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.459 0.001 18134 6204 1 18 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.809 -0.009 18134 6205 1 18 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.558 0.832 18134 6206 1 18 . 1 1 68 68 ASP H H 68 7.400 7.400 8.563 -1.163 18134 6207 1 18 . 1 1 69 69 LEU N N 69 116.950 116.950 117.642 -0.692 18134 6208 1 18 . 1 1 69 69 LEU HA H 69 4.140 4.140 4.041 0.099 18134 6209 1 18 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.716 -1.186 18134 6210 1 18 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.804 -0.244 18134 6211 1 18 . 1 1 69 69 LEU H H 69 7.180 7.180 7.681 -0.501 18134 6212 1 18 . 1 1 70 70 ARG N N 70 123.140 123.140 119.417 3.723 18134 6213 1 18 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.041 -0.121 18134 6214 1 18 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.830 0.950 18134 6215 1 18 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.025 0.195 18134 6216 1 18 . 1 1 70 70 ARG H H 70 7.990 7.990 7.485 0.505 18134 6217 1 18 . 1 1 71 71 ASP N N 71 121.960 121.960 118.551 3.409 18134 6218 1 18 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.435 0.015 18134 6219 1 18 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.963 0.397 18134 6220 1 18 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.939 -0.389 18134 6221 1 18 . 1 1 71 71 ASP H H 71 8.460 8.460 8.382 0.078 18134 6222 1 18 . 1 1 72 72 ILE N N 72 112.900 112.900 112.280 0.620 18134 6223 1 18 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.265 0.225 18134 6224 1 18 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.407 -0.447 18134 6225 1 18 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.291 0.009 18134 6226 1 18 . 1 1 72 72 ILE H H 72 7.180 7.180 7.455 -0.275 18134 6227 1 18 . 1 1 73 73 GLY N N 73 108.400 108.400 106.501 1.899 18134 6228 1 18 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.682 1.468 18134 6229 1 18 . 1 1 73 73 GLY H H 73 7.650 7.650 7.109 0.541 18134 6230 1 18 . 1 1 74 74 ILE N N 74 123.110 123.110 125.328 -2.218 18134 6231 1 18 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.513 0.617 18134 6232 1 18 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.127 -0.897 18134 6233 1 18 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.759 -2.319 18134 6234 1 18 . 1 1 74 74 ILE H H 74 7.860 7.860 7.716 0.144 18134 6235 1 18 . 1 1 75 75 SER HA H 75 3.820 3.820 4.591 -0.771 18134 6236 1 18 . 1 1 75 75 SER CA C 75 59.540 59.540 57.335 2.205 18134 6237 1 18 . 1 1 75 75 SER CB C 75 63.630 63.630 64.468 -0.838 18134 6238 1 18 . 1 1 76 76 ASP N N 76 127.640 127.640 122.625 5.015 18134 6239 1 18 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.875 -0.075 18134 6240 1 18 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.748 0.551 18134 6241 1 18 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.682 -0.642 18134 6242 1 18 . 1 1 76 76 ASP H H 76 8.000 8.000 7.915 0.085 18134 6243 1 18 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.303 -0.313 18134 6244 1 18 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.406 0.174 18134 6245 1 18 . 1 1 77 77 PRO CB C 77 34.440 34.440 31.982 2.458 18134 6246 1 18 . 1 1 78 78 GLN N N 78 120.390 120.390 117.016 3.374 18134 6247 1 18 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.235 -0.085 18134 6248 1 18 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.013 1.167 18134 6249 1 18 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.856 -0.056 18134 6250 1 18 . 1 1 78 78 GLN H H 78 8.200 8.200 8.793 -0.593 18134 6251 1 18 . 1 1 79 79 HIS N N 79 123.160 123.160 116.556 6.604 18134 6252 1 18 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.634 -0.234 18134 6253 1 18 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.151 1.339 18134 6254 1 18 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.663 0.517 18134 6255 1 18 . 1 1 79 79 HIS H H 79 8.060 8.060 7.890 0.170 18134 6256 1 18 . 1 1 80 80 ARG N N 80 118.250 118.250 120.634 -2.384 18134 6257 1 18 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.225 -0.465 18134 6258 1 18 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.334 2.506 18134 6259 1 18 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.659 1.121 18134 6260 1 18 . 1 1 80 80 ARG H H 80 8.060 8.060 7.997 0.063 18134 6261 1 18 . 1 1 81 81 ARG N N 81 118.850 118.850 118.849 0.001 18134 6262 1 18 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.120 -0.190 18134 6263 1 18 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.545 1.724 18134 6264 1 18 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.077 0.143 18134 6265 1 18 . 1 1 81 81 ARG H H 81 7.700 7.700 8.025 -0.325 18134 6266 1 18 . 1 1 82 82 LYS N N 82 121.700 121.700 120.049 1.651 18134 6267 1 18 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.119 -0.069 18134 6268 1 18 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.527 0.133 18134 6269 1 18 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.074 1.036 18134 6270 1 18 . 1 1 82 82 LYS H H 82 8.030 8.030 8.002 0.028 18134 6271 1 18 . 1 1 83 83 LEU N N 83 122.310 122.310 119.608 2.702 18134 6272 1 18 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.041 -0.231 18134 6273 1 18 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.439 1.021 18134 6274 1 18 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.086 0.564 18134 6275 1 18 . 1 1 83 83 LEU H H 83 8.130 8.130 7.513 0.617 18134 6276 1 18 . 1 1 84 84 LEU N N 84 119.760 119.760 118.020 1.740 18134 6277 1 18 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.256 -0.286 18134 6278 1 18 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.770 1.570 18134 6279 1 18 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.969 0.071 18134 6280 1 18 . 1 1 84 84 LEU H H 84 8.030 8.030 7.506 0.524 18134 6281 1 18 . 1 1 85 85 GLN N N 85 119.520 119.520 119.862 -0.342 18134 6282 1 18 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.090 -0.090 18134 6283 1 18 . 1 1 85 85 GLN CA C 85 59.000 59.000 59.066 -0.066 18134 6284 1 18 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.831 0.059 18134 6285 1 18 . 1 1 85 85 GLN H H 85 8.340 8.340 8.063 0.277 18134 6286 1 18 . 1 1 86 86 ALA N N 86 124.280 124.280 121.528 2.752 18134 6287 1 18 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.374 -0.084 18134 6288 1 18 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.414 0.786 18134 6289 1 18 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.649 0.701 18134 6290 1 18 . 1 1 86 86 ALA H H 86 8.320 8.320 8.374 -0.054 18134 6291 1 18 . 1 1 87 87 ALA N N 87 124.840 124.840 121.813 3.027 18134 6292 1 18 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.026 0.024 18134 6293 1 18 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.053 1.267 18134 6294 1 18 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.175 -1.025 18134 6295 1 18 . 1 1 87 87 ALA H H 87 8.770 8.770 7.975 0.795 18134 6296 1 18 . 1 1 88 88 ARG N N 88 118.020 118.020 116.794 1.226 18134 6297 1 18 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.153 0.087 18134 6298 1 18 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.287 -0.197 18134 6299 1 18 . 1 1 88 88 ARG CB C 88 30.440 30.440 29.863 0.577 18134 6300 1 18 . 1 1 88 88 ARG H H 88 8.010 8.010 7.718 0.292 18134 6301 1 18 . 1 1 89 89 SER N N 89 115.060 115.060 114.174 0.886 18134 6302 1 18 . 1 1 89 89 SER HA H 89 4.530 4.530 4.357 0.173 18134 6303 1 18 . 1 1 89 89 SER CA C 89 58.630 58.630 59.772 -1.142 18134 6304 1 18 . 1 1 89 89 SER CB C 89 64.370 64.370 63.506 0.864 18134 6305 1 18 . 1 1 89 89 SER H H 89 7.620 7.620 7.723 -0.103 18134 6306 1 18 . 1 1 90 90 LEU N N 90 126.540 126.540 123.109 3.431 18134 6307 1 18 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.274 0.136 18134 6308 1 18 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.179 0.291 18134 6309 1 18 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.949 -0.509 18134 6310 1 18 . 1 1 90 90 LEU H H 90 7.350 7.350 7.061 0.289 18134 6311 1 18 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.426 -0.036 18134 6312 1 18 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.396 0.884 18134 6313 1 18 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.120 0.390 18134 6314 1 18 . 1 1 92 92 LYS N N 92 122.480 122.480 119.834 2.646 18134 6315 1 18 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.196 0.124 18134 6316 1 18 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.041 0.239 18134 6317 1 18 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.579 0.771 18134 6318 1 18 . 1 1 92 92 LYS H H 92 8.330 8.330 8.260 0.070 18134 6319 1 18 . 1 1 93 93 VAL N N 93 122.310 122.310 120.140 2.170 18134 6320 1 18 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.041 0.029 18134 6321 1 18 . 1 1 93 93 VAL CA C 93 63.130 63.130 60.633 2.498 18134 6322 1 18 . 1 1 93 93 VAL CB C 93 33.230 33.230 34.549 -1.319 18134 6323 1 18 . 1 1 93 93 VAL H H 93 8.060 8.060 8.174 -0.114 18134 6324 1 18 . 1 1 94 94 LYS N N 94 127.330 127.330 129.398 -2.068 18134 6325 1 18 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.239 0.051 18134 6326 1 18 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.267 0.262 18134 6327 1 18 . 1 1 94 94 LYS CB C 94 33.470 33.470 30.291 3.179 18134 6328 1 18 . 1 1 94 94 LYS H H 94 8.340 8.340 8.643 -0.303 18134 6329 1 18 . 1 1 95 95 ALA N N 95 127.620 127.620 125.539 2.081 18134 6330 1 18 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.597 -0.327 18134 6331 1 18 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.511 0.469 18134 6332 1 18 . 1 1 95 95 ALA CB C 95 19.350 19.350 18.933 0.417 18134 6333 1 18 . 1 1 95 95 ALA H H 95 8.290 8.290 8.232 0.058 18134 6334 1 18 . 1 1 96 96 LEU N N 96 123.670 123.670 117.430 6.240 18134 6335 1 18 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.428 -0.128 18134 6336 1 18 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.755 0.775 18134 6337 1 18 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.836 -0.186 18134 6338 1 18 . 1 1 96 96 LEU H H 96 8.240 8.240 7.874 0.366 18134 6339 1 18 . 1 1 97 97 GLY N N 97 111.540 111.540 107.999 3.541 18134 6340 1 18 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.046 0.734 18134 6341 1 18 . 1 1 97 97 GLY H H 97 8.400 8.400 7.872 0.528 18134 6342 1 18 . 1 1 98 98 TYR N N 98 122.570 122.570 118.432 4.138 18134 6343 1 18 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.693 -0.103 18134 6344 1 18 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.281 1.059 18134 6345 1 18 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.011 0.139 18134 6346 1 18 . 1 1 98 98 TYR H H 98 8.060 8.060 8.357 -0.297 18134 6347 1 18 . 1 1 99 99 ASP N N 99 124.880 124.880 117.689 7.191 18134 6348 1 18 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.711 -0.151 18134 6349 1 18 . 1 1 99 99 ASP CA C 99 55.400 55.400 52.983 2.417 18134 6350 1 18 . 1 1 99 99 ASP CB C 99 41.650 41.650 43.012 -1.362 18134 6351 1 18 . 1 1 99 99 ASP H H 99 8.350 8.350 7.950 0.400 18134 6352 1 18 . 1 1 100 100 GLY N N 100 110.340 110.340 109.357 0.983 18134 6353 1 18 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.481 1.129 18134 6354 1 18 . 1 1 100 100 GLY H H 100 7.540 7.540 8.279 -0.739 18134 6355 1 19 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.120 0.390 18134 6356 1 19 . 1 1 22 22 ILE CA C 22 63.400 63.400 62.228 1.172 18134 6357 1 19 . 1 1 22 22 ILE CB C 22 39.150 39.150 37.708 1.442 18134 6358 1 19 . 1 1 23 23 SER N N 23 120.770 120.770 116.054 4.716 18134 6359 1 19 . 1 1 23 23 SER HA H 23 4.170 4.170 4.190 -0.020 18134 6360 1 19 . 1 1 23 23 SER H H 23 8.370 8.370 7.925 0.445 18134 6361 1 19 . 1 1 26 26 ARG N N 26 123.960 123.960 123.242 0.718 18134 6362 1 19 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.397 0.023 18134 6363 1 19 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.191 0.210 18134 6364 1 19 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.957 -0.737 18134 6365 1 19 . 1 1 26 26 ARG H H 26 8.160 8.160 8.772 -0.612 18134 6366 1 19 . 1 1 27 27 THR N N 27 117.400 117.400 113.394 4.006 18134 6367 1 19 . 1 1 27 27 THR HA H 27 4.240 4.240 4.691 -0.451 18134 6368 1 19 . 1 1 27 27 THR CA C 27 61.710 61.710 61.525 0.185 18134 6369 1 19 . 1 1 27 27 THR CB C 27 70.280 70.280 70.570 -0.290 18134 6370 1 19 . 1 1 27 27 THR H H 27 8.150 8.150 7.635 0.515 18134 6371 1 19 . 1 1 28 28 LEU N N 28 125.240 125.240 117.553 7.687 18134 6372 1 19 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.611 -0.311 18134 6373 1 19 . 1 1 28 28 LEU CA C 28 55.800 55.800 55.598 0.202 18134 6374 1 19 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.151 0.499 18134 6375 1 19 . 1 1 28 28 LEU H H 28 8.230 8.230 8.318 -0.088 18134 6376 1 19 . 1 1 29 29 GLU N N 29 123.420 123.420 118.382 5.038 18134 6377 1 19 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.507 -0.207 18134 6378 1 19 . 1 1 29 29 GLU CA C 29 57.130 57.130 55.999 1.131 18134 6379 1 19 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.396 -0.056 18134 6380 1 19 . 1 1 29 29 GLU H H 29 8.360 8.360 8.431 -0.071 18134 6381 1 19 . 1 1 30 30 GLN N N 30 122.830 122.830 119.858 2.972 18134 6382 1 19 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.637 -0.097 18134 6383 1 19 . 1 1 30 30 GLN CA C 30 55.920 55.920 54.895 1.025 18134 6384 1 19 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.233 1.067 18134 6385 1 19 . 1 1 30 30 GLN H H 30 8.090 8.090 7.970 0.120 18134 6386 1 19 . 1 1 31 31 SER N N 31 120.590 120.590 115.547 5.043 18134 6387 1 19 . 1 1 31 31 SER HA H 31 4.700 4.700 4.582 0.118 18134 6388 1 19 . 1 1 31 31 SER CA C 31 57.610 57.610 56.217 1.393 18134 6389 1 19 . 1 1 31 31 SER CB C 31 65.900 65.900 64.683 1.217 18134 6390 1 19 . 1 1 31 31 SER H H 31 8.760 8.760 8.433 0.327 18134 6391 1 19 . 1 1 32 32 VAL N N 32 124.160 124.160 122.190 1.970 18134 6392 1 19 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.030 -0.260 18134 6393 1 19 . 1 1 32 32 VAL CA C 32 67.630 67.630 66.937 0.693 18134 6394 1 19 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.899 0.371 18134 6395 1 19 . 1 1 32 32 VAL H H 32 9.030 9.030 8.964 0.066 18134 6396 1 19 . 1 1 33 33 GLY N N 33 110.070 110.070 107.047 3.023 18134 6397 1 19 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.709 0.491 18134 6398 1 19 . 1 1 33 33 GLY H H 33 9.020 9.020 8.475 0.545 18134 6399 1 19 . 1 1 34 34 GLU N N 34 124.850 124.850 123.693 1.157 18134 6400 1 19 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.263 -0.183 18134 6401 1 19 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.931 0.489 18134 6402 1 19 . 1 1 34 34 GLU CB C 34 30.340 30.340 29.017 1.323 18134 6403 1 19 . 1 1 34 34 GLU H H 34 7.960 7.960 8.506 -0.546 18134 6404 1 19 . 1 1 35 35 TRP N N 35 125.670 125.670 120.953 4.717 18134 6405 1 19 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.284 -0.044 18134 6406 1 19 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.389 1.321 18134 6407 1 19 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.151 -0.871 18134 6408 1 19 . 1 1 35 35 TRP H H 35 8.580 8.580 8.187 0.393 18134 6409 1 19 . 1 1 36 36 LEU N N 36 121.440 121.440 117.337 4.103 18134 6410 1 19 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.364 -0.014 18134 6411 1 19 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.591 -0.221 18134 6412 1 19 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.234 0.686 18134 6413 1 19 . 1 1 36 36 LEU H H 36 9.130 9.130 8.435 0.695 18134 6414 1 19 . 1 1 37 37 GLU N N 37 122.290 122.290 119.744 2.546 18134 6415 1 19 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.943 0.067 18134 6416 1 19 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.280 -0.220 18134 6417 1 19 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.436 -0.376 18134 6418 1 19 . 1 1 37 37 GLU H H 37 8.250 8.250 8.434 -0.184 18134 6419 1 19 . 1 1 38 38 SER N N 38 118.850 118.850 112.626 6.224 18134 6420 1 19 . 1 1 38 38 SER HA H 38 4.280 4.280 4.274 0.006 18134 6421 1 19 . 1 1 38 38 SER CA C 38 61.820 61.820 60.935 0.885 18134 6422 1 19 . 1 1 38 38 SER CB C 38 63.650 63.650 63.604 0.046 18134 6423 1 19 . 1 1 38 38 SER H H 38 7.850 7.850 7.770 0.080 18134 6424 1 19 . 1 1 39 39 ILE N N 39 115.190 115.190 113.619 1.571 18134 6425 1 19 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.370 0.140 18134 6426 1 19 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.845 0.145 18134 6427 1 19 . 1 1 39 39 ILE CB C 39 38.660 38.660 38.826 -0.166 18134 6428 1 19 . 1 1 39 39 ILE H H 39 6.940 6.940 7.169 -0.229 18134 6429 1 19 . 1 1 40 40 GLY N N 40 112.250 112.250 109.146 3.104 18134 6430 1 19 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.752 1.427 18134 6431 1 19 . 1 1 40 40 GLY H H 40 7.630 7.630 7.798 -0.168 18134 6432 1 19 . 1 1 41 41 LEU N N 41 121.470 121.470 119.685 1.785 18134 6433 1 19 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.486 0.284 18134 6434 1 19 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.490 0.140 18134 6435 1 19 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.403 0.727 18134 6436 1 19 . 1 1 41 41 LEU H H 41 7.810 7.810 8.219 -0.409 18134 6437 1 19 . 1 1 42 42 GLN N N 42 122.310 122.310 120.106 2.204 18134 6438 1 19 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.830 0.060 18134 6439 1 19 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.747 -0.337 18134 6440 1 19 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.393 -0.833 18134 6441 1 19 . 1 1 42 42 GLN H H 42 9.070 9.070 7.829 1.241 18134 6442 1 19 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.032 0.208 18134 6443 1 19 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.227 -0.228 18134 6444 1 19 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.486 -0.166 18134 6445 1 19 . 1 1 44 44 TYR N N 44 121.180 121.180 119.706 1.474 18134 6446 1 19 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.520 0.270 18134 6447 1 19 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.248 2.332 18134 6448 1 19 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.422 -0.122 18134 6449 1 19 . 1 1 44 44 TYR H H 44 7.640 7.640 8.109 -0.469 18134 6450 1 19 . 1 1 45 45 GLU N N 45 124.810 124.810 120.891 3.919 18134 6451 1 19 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.866 -0.256 18134 6452 1 19 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.118 1.472 18134 6453 1 19 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.210 0.880 18134 6454 1 19 . 1 1 45 45 GLU H H 45 7.850 7.850 7.994 -0.144 18134 6455 1 19 . 1 1 46 46 SER N N 46 114.660 114.660 115.019 -0.359 18134 6456 1 19 . 1 1 46 46 SER HA H 46 4.000 4.000 4.212 -0.212 18134 6457 1 19 . 1 1 46 46 SER CA C 46 62.920 62.920 61.714 1.206 18134 6458 1 19 . 1 1 46 46 SER H H 46 8.790 8.790 8.225 0.565 18134 6459 1 19 . 1 1 47 47 LYS N N 47 122.810 122.810 121.978 0.832 18134 6460 1 19 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.146 -0.026 18134 6461 1 19 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.674 0.886 18134 6462 1 19 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.333 0.617 18134 6463 1 19 . 1 1 47 47 LYS H H 47 7.810 7.810 7.751 0.059 18134 6464 1 19 . 1 1 48 48 LEU N N 48 121.420 121.420 119.702 1.718 18134 6465 1 19 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.269 -0.059 18134 6466 1 19 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.623 2.797 18134 6467 1 19 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.901 -1.551 18134 6468 1 19 . 1 1 48 48 LEU H H 48 8.010 8.010 7.582 0.428 18134 6469 1 19 . 1 1 49 49 LEU N N 49 121.260 121.260 120.844 0.416 18134 6470 1 19 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.391 -0.500 18134 6471 1 19 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.508 1.552 18134 6472 1 19 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.468 -0.548 18134 6473 1 19 . 1 1 49 49 LEU H H 49 8.520 8.520 7.660 0.860 18134 6474 1 19 . 1 1 50 50 LEU N N 50 121.260 121.260 120.630 0.630 18134 6475 1 19 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.098 0.122 18134 6476 1 19 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.243 -0.234 18134 6477 1 19 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.985 0.175 18134 6478 1 19 . 1 1 50 50 LEU H H 50 8.530 8.530 8.476 0.054 18134 6479 1 19 . 1 1 51 51 ASN N N 51 116.660 116.660 116.277 0.383 18134 6480 1 19 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.774 0.066 18134 6481 1 19 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.049 1.061 18134 6482 1 19 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.971 1.989 18134 6483 1 19 . 1 1 51 51 ASN H H 51 7.280 7.280 7.687 -0.407 18134 6484 1 19 . 1 1 52 52 GLY N N 52 107.530 107.530 107.727 -0.197 18134 6485 1 19 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.360 -0.230 18134 6486 1 19 . 1 1 52 52 GLY H H 52 7.720 7.720 7.692 0.028 18134 6487 1 19 . 1 1 53 53 PHE N N 53 123.430 123.430 118.275 5.155 18134 6488 1 19 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.771 0.029 18134 6489 1 19 . 1 1 53 53 PHE CA C 53 56.650 56.650 55.528 1.122 18134 6490 1 19 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.937 -1.837 18134 6491 1 19 . 1 1 53 53 PHE H H 53 8.210 8.210 7.575 0.635 18134 6492 1 19 . 1 1 54 54 ASP N N 54 117.170 117.170 118.616 -1.446 18134 6493 1 19 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.545 0.025 18134 6494 1 19 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.113 -1.123 18134 6495 1 19 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.855 0.945 18134 6496 1 19 . 1 1 54 54 ASP H H 54 7.720 7.720 8.256 -0.536 18134 6497 1 19 . 1 1 55 55 ASP N N 55 121.390 121.390 120.679 0.711 18134 6498 1 19 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.612 0.048 18134 6499 1 19 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.129 -0.859 18134 6500 1 19 . 1 1 55 55 ASP H H 55 7.830 7.830 8.204 -0.374 18134 6501 1 19 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.689 -0.279 18134 6502 1 19 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.078 0.982 18134 6503 1 19 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.338 0.442 18134 6504 1 19 . 1 1 56 56 VAL H H 56 8.800 8.800 8.131 0.669 18134 6505 1 19 . 1 1 57 57 HIS N N 57 121.390 121.390 116.208 5.182 18134 6506 1 19 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.629 -0.429 18134 6507 1 19 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.151 0.979 18134 6508 1 19 . 1 1 57 57 HIS H H 57 8.390 8.390 8.185 0.205 18134 6509 1 19 . 1 1 58 58 PHE N N 58 121.980 121.980 118.713 3.267 18134 6510 1 19 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.811 -0.451 18134 6511 1 19 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.340 2.810 18134 6512 1 19 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.710 -0.840 18134 6513 1 19 . 1 1 58 58 PHE H H 58 7.930 7.930 8.181 -0.251 18134 6514 1 19 . 1 1 59 59 LEU N N 59 121.800 121.800 121.643 0.157 18134 6515 1 19 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.154 -0.114 18134 6516 1 19 . 1 1 59 59 LEU CA C 59 57.730 57.730 58.226 -0.496 18134 6517 1 19 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.407 0.513 18134 6518 1 19 . 1 1 59 59 LEU H H 59 7.730 7.730 7.586 0.144 18134 6519 1 19 . 1 1 60 60 GLY N N 60 106.180 106.180 103.765 2.415 18134 6520 1 19 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.924 0.176 18134 6521 1 19 . 1 1 60 60 GLY H H 60 7.800 7.800 8.509 -0.709 18134 6522 1 19 . 1 1 61 61 SER N N 61 116.150 116.150 115.856 0.294 18134 6523 1 19 . 1 1 61 61 SER HA H 61 4.770 4.770 4.366 0.404 18134 6524 1 19 . 1 1 61 61 SER CA C 61 59.370 59.370 59.309 0.060 18134 6525 1 19 . 1 1 61 61 SER CB C 61 64.450 64.450 63.802 0.648 18134 6526 1 19 . 1 1 61 61 SER H H 61 7.610 7.610 7.791 -0.181 18134 6527 1 19 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.685 -0.015 18134 6528 1 19 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.614 -0.744 18134 6529 1 19 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.278 -0.128 18134 6530 1 19 . 1 1 63 63 VAL N N 63 120.030 120.030 121.016 -0.986 18134 6531 1 19 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.857 0.233 18134 6532 1 19 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.524 -1.844 18134 6533 1 19 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.186 0.684 18134 6534 1 19 . 1 1 63 63 VAL H H 63 7.770 7.770 8.427 -0.657 18134 6535 1 19 . 1 1 64 64 MET N N 64 125.400 125.400 114.919 10.481 18134 6536 1 19 . 1 1 64 64 MET HA H 64 4.460 4.460 4.270 0.190 18134 6537 1 19 . 1 1 64 64 MET CA C 64 55.610 55.610 56.003 -0.393 18134 6538 1 19 . 1 1 64 64 MET CB C 64 34.400 34.400 30.216 4.184 18134 6539 1 19 . 1 1 64 64 MET H H 64 7.900 7.900 8.087 -0.187 18134 6540 1 19 . 1 1 65 65 GLU N N 65 124.210 124.210 118.578 5.632 18134 6541 1 19 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.336 0.344 18134 6542 1 19 . 1 1 65 65 GLU CA C 65 54.720 54.720 56.325 -1.605 18134 6543 1 19 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.016 1.984 18134 6544 1 19 . 1 1 65 65 GLU H H 65 8.810 8.810 7.990 0.820 18134 6545 1 19 . 1 1 66 66 GLU N N 66 125.500 125.500 120.028 5.472 18134 6546 1 19 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.981 -0.321 18134 6547 1 19 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.630 0.990 18134 6548 1 19 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.627 -0.376 18134 6549 1 19 . 1 1 66 66 GLU H H 66 9.290 9.290 8.709 0.581 18134 6550 1 19 . 1 1 67 67 GLN N N 67 119.780 119.780 118.146 1.634 18134 6551 1 19 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.004 -0.264 18134 6552 1 19 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.597 -0.537 18134 6553 1 19 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.360 0.720 18134 6554 1 19 . 1 1 67 67 GLN H H 67 9.090 9.090 8.585 0.505 18134 6555 1 19 . 1 1 68 68 ASP N N 68 119.450 119.450 118.165 1.285 18134 6556 1 19 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.455 0.005 18134 6557 1 19 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.469 0.331 18134 6558 1 19 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.533 0.857 18134 6559 1 19 . 1 1 68 68 ASP H H 68 7.400 7.400 8.686 -1.286 18134 6560 1 19 . 1 1 69 69 LEU N N 69 116.950 116.950 118.189 -1.239 18134 6561 1 19 . 1 1 69 69 LEU HA H 69 4.140 4.140 4.038 0.102 18134 6562 1 19 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.026 -0.496 18134 6563 1 19 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.902 -0.342 18134 6564 1 19 . 1 1 69 69 LEU H H 69 7.180 7.180 7.746 -0.566 18134 6565 1 19 . 1 1 70 70 ARG N N 70 123.140 123.140 119.527 3.613 18134 6566 1 19 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.037 -0.117 18134 6567 1 19 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.835 0.945 18134 6568 1 19 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.072 0.148 18134 6569 1 19 . 1 1 70 70 ARG H H 70 7.990 7.990 7.502 0.488 18134 6570 1 19 . 1 1 71 71 ASP N N 71 121.960 121.960 118.325 3.635 18134 6571 1 19 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.418 0.032 18134 6572 1 19 . 1 1 71 71 ASP CA C 71 57.360 57.360 57.021 0.339 18134 6573 1 19 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.982 -0.432 18134 6574 1 19 . 1 1 71 71 ASP H H 71 8.460 8.460 8.365 0.095 18134 6575 1 19 . 1 1 72 72 ILE N N 72 112.900 112.900 112.449 0.451 18134 6576 1 19 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.028 0.462 18134 6577 1 19 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.016 -0.056 18134 6578 1 19 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.524 -0.224 18134 6579 1 19 . 1 1 72 72 ILE H H 72 7.180 7.180 7.364 -0.184 18134 6580 1 19 . 1 1 73 73 GLY N N 73 108.400 108.400 107.013 1.387 18134 6581 1 19 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.697 1.453 18134 6582 1 19 . 1 1 73 73 GLY H H 73 7.650 7.650 7.283 0.367 18134 6583 1 19 . 1 1 74 74 ILE N N 74 123.110 123.110 125.089 -1.979 18134 6584 1 19 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.500 0.630 18134 6585 1 19 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.144 -0.914 18134 6586 1 19 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.734 -2.294 18134 6587 1 19 . 1 1 74 74 ILE H H 74 7.860 7.860 7.638 0.222 18134 6588 1 19 . 1 1 75 75 SER HA H 75 3.820 3.820 4.558 -0.738 18134 6589 1 19 . 1 1 75 75 SER CA C 75 59.540 59.540 57.610 1.930 18134 6590 1 19 . 1 1 75 75 SER CB C 75 63.630 63.630 64.559 -0.929 18134 6591 1 19 . 1 1 76 76 ASP N N 76 127.640 127.640 123.109 4.531 18134 6592 1 19 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.850 -0.050 18134 6593 1 19 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.157 0.143 18134 6594 1 19 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.342 -0.302 18134 6595 1 19 . 1 1 76 76 ASP H H 76 8.000 8.000 7.830 0.170 18134 6596 1 19 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.318 -0.328 18134 6597 1 19 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.268 0.312 18134 6598 1 19 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.105 2.336 18134 6599 1 19 . 1 1 78 78 GLN N N 78 120.390 120.390 115.275 5.115 18134 6600 1 19 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.135 0.015 18134 6601 1 19 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.183 0.997 18134 6602 1 19 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.686 0.115 18134 6603 1 19 . 1 1 78 78 GLN H H 78 8.200 8.200 8.698 -0.498 18134 6604 1 19 . 1 1 79 79 HIS N N 79 123.160 123.160 115.141 8.019 18134 6605 1 19 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.654 -0.254 18134 6606 1 19 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.263 1.227 18134 6607 1 19 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.215 0.965 18134 6608 1 19 . 1 1 79 79 HIS H H 79 8.060 8.060 7.931 0.129 18134 6609 1 19 . 1 1 80 80 ARG N N 80 118.250 118.250 120.509 -2.259 18134 6610 1 19 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.245 -0.485 18134 6611 1 19 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.248 2.592 18134 6612 1 19 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.695 1.085 18134 6613 1 19 . 1 1 80 80 ARG H H 80 8.060 8.060 8.022 0.038 18134 6614 1 19 . 1 1 81 81 ARG N N 81 118.850 118.850 119.251 -0.401 18134 6615 1 19 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.144 -0.214 18134 6616 1 19 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.203 2.067 18134 6617 1 19 . 1 1 81 81 ARG CB C 81 30.220 30.220 29.996 0.224 18134 6618 1 19 . 1 1 81 81 ARG H H 81 7.700 7.700 8.067 -0.367 18134 6619 1 19 . 1 1 82 82 LYS N N 82 121.700 121.700 119.260 2.440 18134 6620 1 19 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.133 -0.083 18134 6621 1 19 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.515 0.145 18134 6622 1 19 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.123 0.987 18134 6623 1 19 . 1 1 82 82 LYS H H 82 8.030 8.030 8.069 -0.039 18134 6624 1 19 . 1 1 83 83 LEU N N 83 122.310 122.310 119.663 2.647 18134 6625 1 19 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.090 -0.280 18134 6626 1 19 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.147 1.313 18134 6627 1 19 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.303 1.347 18134 6628 1 19 . 1 1 83 83 LEU H H 83 8.130 8.130 7.541 0.589 18134 6629 1 19 . 1 1 84 84 LEU N N 84 119.760 119.760 118.153 1.607 18134 6630 1 19 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.264 -0.294 18134 6631 1 19 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.717 1.623 18134 6632 1 19 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.885 0.155 18134 6633 1 19 . 1 1 84 84 LEU H H 84 8.030 8.030 7.504 0.526 18134 6634 1 19 . 1 1 85 85 GLN N N 85 119.520 119.520 119.559 -0.039 18134 6635 1 19 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.105 -0.105 18134 6636 1 19 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.861 0.139 18134 6637 1 19 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.041 -0.151 18134 6638 1 19 . 1 1 85 85 GLN H H 85 8.340 8.340 7.836 0.504 18134 6639 1 19 . 1 1 86 86 ALA N N 86 124.280 124.280 121.190 3.090 18134 6640 1 19 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.400 -0.110 18134 6641 1 19 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.246 0.954 18134 6642 1 19 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.770 0.581 18134 6643 1 19 . 1 1 86 86 ALA H H 86 8.320 8.320 8.080 0.240 18134 6644 1 19 . 1 1 87 87 ALA N N 87 124.840 124.840 121.094 3.746 18134 6645 1 19 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.285 -0.235 18134 6646 1 19 . 1 1 87 87 ALA CA C 87 55.320 55.320 53.979 1.341 18134 6647 1 19 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.255 -1.105 18134 6648 1 19 . 1 1 87 87 ALA H H 87 8.770 8.770 7.913 0.857 18134 6649 1 19 . 1 1 88 88 ARG N N 88 118.020 118.020 117.200 0.820 18134 6650 1 19 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.169 0.071 18134 6651 1 19 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.168 -0.078 18134 6652 1 19 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.318 0.122 18134 6653 1 19 . 1 1 88 88 ARG H H 88 8.010 8.010 7.657 0.353 18134 6654 1 19 . 1 1 89 89 SER N N 89 115.060 115.060 113.199 1.861 18134 6655 1 19 . 1 1 89 89 SER HA H 89 4.530 4.530 4.307 0.223 18134 6656 1 19 . 1 1 89 89 SER CA C 89 58.630 58.630 59.472 -0.842 18134 6657 1 19 . 1 1 89 89 SER CB C 89 64.370 64.370 63.539 0.831 18134 6658 1 19 . 1 1 89 89 SER H H 89 7.620 7.620 7.725 -0.105 18134 6659 1 19 . 1 1 90 90 LEU N N 90 126.540 126.540 122.494 4.046 18134 6660 1 19 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.184 0.226 18134 6661 1 19 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.193 0.278 18134 6662 1 19 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.870 -0.430 18134 6663 1 19 . 1 1 90 90 LEU H H 90 7.350 7.350 7.111 0.239 18134 6664 1 19 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.139 0.251 18134 6665 1 19 . 1 1 91 91 PRO CA C 91 63.280 63.280 63.624 -0.344 18134 6666 1 19 . 1 1 91 91 PRO CB C 91 32.510 32.510 31.793 0.717 18134 6667 1 19 . 1 1 92 92 LYS N N 92 122.480 122.480 118.987 3.493 18134 6668 1 19 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.182 0.138 18134 6669 1 19 . 1 1 92 92 LYS CA C 92 56.280 56.280 56.886 -0.606 18134 6670 1 19 . 1 1 92 92 LYS CB C 92 33.350 33.350 32.353 0.997 18134 6671 1 19 . 1 1 92 92 LYS H H 92 8.330 8.330 7.797 0.533 18134 6672 1 19 . 1 1 93 93 VAL N N 93 122.310 122.310 124.119 -1.809 18134 6673 1 19 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.287 -0.217 18134 6674 1 19 . 1 1 93 93 VAL CA C 93 63.130 63.130 60.765 2.365 18134 6675 1 19 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.986 -0.756 18134 6676 1 19 . 1 1 93 93 VAL H H 93 8.060 8.060 8.420 -0.360 18134 6677 1 19 . 1 1 94 94 LYS N N 94 127.330 127.330 128.908 -1.578 18134 6678 1 19 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.096 0.194 18134 6679 1 19 . 1 1 94 94 LYS CA C 94 56.530 56.530 57.965 -1.435 18134 6680 1 19 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.700 0.770 18134 6681 1 19 . 1 1 94 94 LYS H H 94 8.340 8.340 8.703 -0.363 18134 6682 1 19 . 1 1 95 95 ALA N N 95 127.620 127.620 121.018 6.602 18134 6683 1 19 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.222 0.048 18134 6684 1 19 . 1 1 95 95 ALA CA C 95 52.980 52.980 51.974 1.006 18134 6685 1 19 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.160 0.190 18134 6686 1 19 . 1 1 95 95 ALA H H 95 8.290 8.290 8.056 0.234 18134 6687 1 19 . 1 1 96 96 LEU N N 96 123.670 123.670 119.009 4.661 18134 6688 1 19 . 1 1 96 96 LEU HA H 96 4.300 4.300 3.941 0.359 18134 6689 1 19 . 1 1 96 96 LEU CA C 96 56.530 56.530 56.933 -0.403 18134 6690 1 19 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.148 0.502 18134 6691 1 19 . 1 1 96 96 LEU H H 96 8.240 8.240 8.278 -0.038 18134 6692 1 19 . 1 1 97 97 GLY N N 97 111.540 111.540 109.202 2.338 18134 6693 1 19 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.451 0.329 18134 6694 1 19 . 1 1 97 97 GLY H H 97 8.400 8.400 8.575 -0.175 18134 6695 1 19 . 1 1 98 98 TYR N N 98 122.570 122.570 119.771 2.799 18134 6696 1 19 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.764 -0.174 18134 6697 1 19 . 1 1 98 98 TYR CA C 98 58.340 58.340 59.224 -0.884 18134 6698 1 19 . 1 1 98 98 TYR CB C 98 39.150 39.150 40.653 -1.503 18134 6699 1 19 . 1 1 98 98 TYR H H 98 8.060 8.060 8.408 -0.348 18134 6700 1 19 . 1 1 99 99 ASP N N 99 124.880 124.880 116.104 8.776 18134 6701 1 19 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.612 -0.052 18134 6702 1 19 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.486 0.915 18134 6703 1 19 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.549 -0.899 18134 6704 1 19 . 1 1 99 99 ASP H H 99 8.350 8.350 8.333 0.017 18134 6705 1 19 . 1 1 100 100 GLY N N 100 110.340 110.340 110.723 -0.383 18134 6706 1 19 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.109 0.500 18134 6707 1 19 . 1 1 100 100 GLY H H 100 7.540 7.540 8.069 -0.529 18134 6708 1 20 . 1 1 22 22 ILE HA H 22 4.510 4.510 4.400 0.110 18134 6709 1 20 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.481 1.919 18134 6710 1 20 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.578 0.572 18134 6711 1 20 . 1 1 23 23 SER N N 23 120.770 120.770 115.377 5.393 18134 6712 1 20 . 1 1 23 23 SER HA H 23 4.170 4.170 4.554 -0.384 18134 6713 1 20 . 1 1 23 23 SER H H 23 8.370 8.370 7.908 0.462 18134 6714 1 20 . 1 1 26 26 ARG N N 26 123.960 123.960 120.087 3.873 18134 6715 1 20 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.656 -0.236 18134 6716 1 20 . 1 1 26 26 ARG CA C 26 56.400 56.400 55.365 1.035 18134 6717 1 20 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.784 -0.564 18134 6718 1 20 . 1 1 26 26 ARG H H 26 8.160 8.160 8.644 -0.484 18134 6719 1 20 . 1 1 27 27 THR N N 27 117.400 117.400 112.404 4.996 18134 6720 1 20 . 1 1 27 27 THR HA H 27 4.240 4.240 4.236 0.004 18134 6721 1 20 . 1 1 27 27 THR CA C 27 61.710 61.710 62.243 -0.533 18134 6722 1 20 . 1 1 27 27 THR CB C 27 70.280 70.280 69.389 0.891 18134 6723 1 20 . 1 1 27 27 THR H H 27 8.150 8.150 8.279 -0.129 18134 6724 1 20 . 1 1 28 28 LEU N N 28 125.240 125.240 114.340 10.900 18134 6725 1 20 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.815 -0.515 18134 6726 1 20 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.766 1.034 18134 6727 1 20 . 1 1 28 28 LEU CB C 28 42.650 42.650 41.553 1.097 18134 6728 1 20 . 1 1 28 28 LEU H H 28 8.230 8.230 8.145 0.085 18134 6729 1 20 . 1 1 29 29 GLU N N 29 123.420 123.420 118.737 4.683 18134 6730 1 20 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.442 -0.142 18134 6731 1 20 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.155 0.975 18134 6732 1 20 . 1 1 29 29 GLU CB C 29 30.340 30.340 30.148 0.192 18134 6733 1 20 . 1 1 29 29 GLU H H 29 8.360 8.360 8.524 -0.164 18134 6734 1 20 . 1 1 30 30 GLN N N 30 122.830 122.830 119.633 3.197 18134 6735 1 20 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.693 -0.153 18134 6736 1 20 . 1 1 30 30 GLN CA C 30 55.920 55.920 55.024 0.896 18134 6737 1 20 . 1 1 30 30 GLN CB C 30 31.300 31.300 30.561 0.739 18134 6738 1 20 . 1 1 30 30 GLN H H 30 8.090 8.090 8.123 -0.033 18134 6739 1 20 . 1 1 31 31 SER N N 31 120.590 120.590 115.186 5.404 18134 6740 1 20 . 1 1 31 31 SER HA H 31 4.700 4.700 4.697 0.003 18134 6741 1 20 . 1 1 31 31 SER CA C 31 57.610 57.610 56.762 0.848 18134 6742 1 20 . 1 1 31 31 SER CB C 31 65.900 65.900 65.149 0.751 18134 6743 1 20 . 1 1 31 31 SER H H 31 8.760 8.760 8.279 0.481 18134 6744 1 20 . 1 1 32 32 VAL N N 32 124.160 124.160 122.813 1.347 18134 6745 1 20 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.034 -0.264 18134 6746 1 20 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.162 0.468 18134 6747 1 20 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.961 0.309 18134 6748 1 20 . 1 1 32 32 VAL H H 32 9.030 9.030 8.964 0.066 18134 6749 1 20 . 1 1 33 33 GLY N N 33 110.070 110.070 107.711 2.359 18134 6750 1 20 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.916 0.284 18134 6751 1 20 . 1 1 33 33 GLY H H 33 9.020 9.020 8.680 0.340 18134 6752 1 20 . 1 1 34 34 GLU N N 34 124.850 124.850 122.411 2.439 18134 6753 1 20 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.057 0.023 18134 6754 1 20 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.603 0.817 18134 6755 1 20 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.948 1.392 18134 6756 1 20 . 1 1 34 34 GLU H H 34 7.960 7.960 7.912 0.048 18134 6757 1 20 . 1 1 35 35 TRP N N 35 125.670 125.670 120.828 4.842 18134 6758 1 20 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.317 -0.077 18134 6759 1 20 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.393 1.317 18134 6760 1 20 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.191 -0.911 18134 6761 1 20 . 1 1 35 35 TRP H H 35 8.580 8.580 8.208 0.372 18134 6762 1 20 . 1 1 36 36 LEU N N 36 121.440 121.440 118.580 2.860 18134 6763 1 20 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.419 -0.069 18134 6764 1 20 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.798 -0.428 18134 6765 1 20 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.235 0.685 18134 6766 1 20 . 1 1 36 36 LEU H H 36 9.130 9.130 8.520 0.610 18134 6767 1 20 . 1 1 37 37 GLU N N 37 122.290 122.290 119.783 2.507 18134 6768 1 20 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.964 0.046 18134 6769 1 20 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.340 -0.280 18134 6770 1 20 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.247 -0.187 18134 6771 1 20 . 1 1 37 37 GLU H H 37 8.250 8.250 8.369 -0.119 18134 6772 1 20 . 1 1 38 38 SER N N 38 118.850 118.850 112.904 5.946 18134 6773 1 20 . 1 1 38 38 SER HA H 38 4.280 4.280 4.289 -0.009 18134 6774 1 20 . 1 1 38 38 SER CA C 38 61.820 61.820 60.426 1.393 18134 6775 1 20 . 1 1 38 38 SER CB C 38 63.650 63.650 63.559 0.091 18134 6776 1 20 . 1 1 38 38 SER H H 38 7.850 7.850 7.745 0.105 18134 6777 1 20 . 1 1 39 39 ILE N N 39 115.190 115.190 112.204 2.986 18134 6778 1 20 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.458 0.052 18134 6779 1 20 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.835 0.155 18134 6780 1 20 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.339 -0.679 18134 6781 1 20 . 1 1 39 39 ILE H H 39 6.940 6.940 7.233 -0.293 18134 6782 1 20 . 1 1 40 40 GLY N N 40 112.250 112.250 108.917 3.333 18134 6783 1 20 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.927 1.253 18134 6784 1 20 . 1 1 40 40 GLY H H 40 7.630 7.630 7.835 -0.205 18134 6785 1 20 . 1 1 41 41 LEU N N 41 121.470 121.470 119.746 1.724 18134 6786 1 20 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.479 0.291 18134 6787 1 20 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.509 0.121 18134 6788 1 20 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.397 0.734 18134 6789 1 20 . 1 1 41 41 LEU H H 41 7.810 7.810 8.250 -0.440 18134 6790 1 20 . 1 1 42 42 GLN N N 42 122.310 122.310 120.083 2.227 18134 6791 1 20 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.836 0.054 18134 6792 1 20 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.745 -0.335 18134 6793 1 20 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.387 -0.827 18134 6794 1 20 . 1 1 42 42 GLN H H 42 9.070 9.070 7.849 1.221 18134 6795 1 20 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.067 0.173 18134 6796 1 20 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.247 -0.247 18134 6797 1 20 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.309 0.011 18134 6798 1 20 . 1 1 44 44 TYR N N 44 121.180 121.180 119.606 1.574 18134 6799 1 20 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.513 0.277 18134 6800 1 20 . 1 1 44 44 TYR CA C 44 58.580 58.580 56.444 2.136 18134 6801 1 20 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.488 -0.188 18134 6802 1 20 . 1 1 44 44 TYR H H 44 7.640 7.640 8.108 -0.468 18134 6803 1 20 . 1 1 45 45 GLU N N 45 124.810 124.810 120.778 4.032 18134 6804 1 20 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.879 -0.269 18134 6805 1 20 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.020 1.570 18134 6806 1 20 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.157 0.933 18134 6807 1 20 . 1 1 45 45 GLU H H 45 7.850 7.850 8.034 -0.184 18134 6808 1 20 . 1 1 46 46 SER N N 46 114.660 114.660 115.080 -0.420 18134 6809 1 20 . 1 1 46 46 SER HA H 46 4.000 4.000 4.198 -0.198 18134 6810 1 20 . 1 1 46 46 SER CA C 46 62.920 62.920 61.826 1.094 18134 6811 1 20 . 1 1 46 46 SER H H 46 8.790 8.790 8.087 0.703 18134 6812 1 20 . 1 1 47 47 LYS N N 47 122.810 122.810 121.216 1.594 18134 6813 1 20 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.147 -0.027 18134 6814 1 20 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.273 1.287 18134 6815 1 20 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.131 0.819 18134 6816 1 20 . 1 1 47 47 LYS H H 47 7.810 7.810 7.822 -0.012 18134 6817 1 20 . 1 1 48 48 LEU N N 48 121.420 121.420 118.399 3.021 18134 6818 1 20 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.303 -0.093 18134 6819 1 20 . 1 1 48 48 LEU CA C 48 59.420 59.420 55.954 3.466 18134 6820 1 20 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.952 -1.602 18134 6821 1 20 . 1 1 48 48 LEU H H 48 8.010 8.010 7.585 0.425 18134 6822 1 20 . 1 1 49 49 LEU N N 49 121.260 121.260 120.586 0.674 18134 6823 1 20 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.410 -0.520 18134 6824 1 20 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.384 1.676 18134 6825 1 20 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.742 -0.822 18134 6826 1 20 . 1 1 49 49 LEU H H 49 8.520 8.520 7.401 1.119 18134 6827 1 20 . 1 1 50 50 LEU N N 50 121.260 121.260 120.395 0.865 18134 6828 1 20 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.127 0.093 18134 6829 1 20 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.071 -0.061 18134 6830 1 20 . 1 1 50 50 LEU CB C 50 42.160 42.160 42.012 0.148 18134 6831 1 20 . 1 1 50 50 LEU H H 50 8.530 8.530 8.579 -0.049 18134 6832 1 20 . 1 1 51 51 ASN N N 51 116.660 116.660 116.116 0.544 18134 6833 1 20 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.818 0.022 18134 6834 1 20 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.233 0.877 18134 6835 1 20 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.818 2.142 18134 6836 1 20 . 1 1 51 51 ASN H H 51 7.280 7.280 7.651 -0.371 18134 6837 1 20 . 1 1 52 52 GLY N N 52 107.530 107.530 106.981 0.549 18134 6838 1 20 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.405 -0.275 18134 6839 1 20 . 1 1 52 52 GLY H H 52 7.720 7.720 7.764 -0.044 18134 6840 1 20 . 1 1 53 53 PHE N N 53 123.430 123.430 118.690 4.740 18134 6841 1 20 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.755 0.045 18134 6842 1 20 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.154 0.497 18134 6843 1 20 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.737 -1.637 18134 6844 1 20 . 1 1 53 53 PHE H H 53 8.210 8.210 7.555 0.655 18134 6845 1 20 . 1 1 54 54 ASP N N 54 117.170 117.170 119.893 -2.723 18134 6846 1 20 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.509 0.061 18134 6847 1 20 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.481 -1.491 18134 6848 1 20 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.809 0.991 18134 6849 1 20 . 1 1 54 54 ASP H H 54 7.720 7.720 8.245 -0.525 18134 6850 1 20 . 1 1 55 55 ASP N N 55 121.390 121.390 120.405 0.985 18134 6851 1 20 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.350 0.310 18134 6852 1 20 . 1 1 55 55 ASP CB C 55 39.270 39.270 39.233 0.037 18134 6853 1 20 . 1 1 55 55 ASP H H 55 7.830 7.830 7.972 -0.142 18134 6854 1 20 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.639 -0.229 18134 6855 1 20 . 1 1 56 56 VAL CA C 56 66.060 66.060 65.351 0.709 18134 6856 1 20 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.782 -0.002 18134 6857 1 20 . 1 1 56 56 VAL H H 56 8.800 8.800 8.181 0.619 18134 6858 1 20 . 1 1 57 57 HIS N N 57 121.390 121.390 114.477 6.913 18134 6859 1 20 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.668 -0.468 18134 6860 1 20 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.834 0.296 18134 6861 1 20 . 1 1 57 57 HIS H H 57 8.390 8.390 8.146 0.244 18134 6862 1 20 . 1 1 58 58 PHE N N 58 121.980 121.980 118.488 3.492 18134 6863 1 20 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.767 -0.407 18134 6864 1 20 . 1 1 58 58 PHE CA C 58 60.150 60.150 57.010 3.140 18134 6865 1 20 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.341 -0.471 18134 6866 1 20 . 1 1 58 58 PHE H H 58 7.930 7.930 7.904 0.026 18134 6867 1 20 . 1 1 59 59 LEU N N 59 121.800 121.800 121.420 0.380 18134 6868 1 20 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.102 -0.062 18134 6869 1 20 . 1 1 59 59 LEU CA C 59 57.730 57.730 58.086 -0.356 18134 6870 1 20 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.712 0.208 18134 6871 1 20 . 1 1 59 59 LEU H H 59 7.730 7.730 7.441 0.289 18134 6872 1 20 . 1 1 60 60 GLY N N 60 106.180 106.180 103.182 2.998 18134 6873 1 20 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.650 0.450 18134 6874 1 20 . 1 1 60 60 GLY H H 60 7.800 7.800 8.458 -0.658 18134 6875 1 20 . 1 1 61 61 SER N N 61 116.150 116.150 113.963 2.187 18134 6876 1 20 . 1 1 61 61 SER HA H 61 4.770 4.770 4.123 0.647 18134 6877 1 20 . 1 1 61 61 SER CA C 61 59.370 59.370 59.969 -0.599 18134 6878 1 20 . 1 1 61 61 SER CB C 61 64.450 64.450 63.048 1.402 18134 6879 1 20 . 1 1 61 61 SER H H 61 7.610 7.610 7.715 -0.105 18134 6880 1 20 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.426 0.244 18134 6881 1 20 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.136 -0.267 18134 6882 1 20 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.578 -0.427 18134 6883 1 20 . 1 1 63 63 VAL N N 63 120.030 120.030 121.554 -1.524 18134 6884 1 20 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.789 0.301 18134 6885 1 20 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.513 -1.833 18134 6886 1 20 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.268 0.602 18134 6887 1 20 . 1 1 63 63 VAL H H 63 7.770 7.770 8.411 -0.641 18134 6888 1 20 . 1 1 64 64 MET N N 64 125.400 125.400 115.190 10.210 18134 6889 1 20 . 1 1 64 64 MET HA H 64 4.460 4.460 4.200 0.260 18134 6890 1 20 . 1 1 64 64 MET CA C 64 55.610 55.610 56.294 -0.684 18134 6891 1 20 . 1 1 64 64 MET CB C 64 34.400 34.400 29.537 4.863 18134 6892 1 20 . 1 1 64 64 MET H H 64 7.900 7.900 7.971 -0.071 18134 6893 1 20 . 1 1 65 65 GLU N N 65 124.210 124.210 118.928 5.282 18134 6894 1 20 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.468 0.212 18134 6895 1 20 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.911 -1.191 18134 6896 1 20 . 1 1 65 65 GLU CB C 65 33.000 33.000 32.164 0.836 18134 6897 1 20 . 1 1 65 65 GLU H H 65 8.810 8.810 7.779 1.031 18134 6898 1 20 . 1 1 66 66 GLU N N 66 125.500 125.500 120.977 4.523 18134 6899 1 20 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.947 -0.287 18134 6900 1 20 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.969 0.651 18134 6901 1 20 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.598 -0.348 18134 6902 1 20 . 1 1 66 66 GLU H H 66 9.290 9.290 8.796 0.494 18134 6903 1 20 . 1 1 67 67 GLN N N 67 119.780 119.780 118.250 1.530 18134 6904 1 20 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.030 -0.290 18134 6905 1 20 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.728 -0.668 18134 6906 1 20 . 1 1 67 67 GLN CB C 67 29.080 29.080 27.938 1.142 18134 6907 1 20 . 1 1 67 67 GLN H H 67 9.090 9.090 8.575 0.515 18134 6908 1 20 . 1 1 68 68 ASP N N 68 119.450 119.450 117.930 1.520 18134 6909 1 20 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.504 -0.044 18134 6910 1 20 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.344 0.456 18134 6911 1 20 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.600 0.790 18134 6912 1 20 . 1 1 68 68 ASP H H 68 7.400 7.400 8.499 -1.099 18134 6913 1 20 . 1 1 69 69 LEU N N 69 116.950 116.950 118.762 -1.812 18134 6914 1 20 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.987 0.153 18134 6915 1 20 . 1 1 69 69 LEU CA C 69 56.530 56.530 56.917 -0.387 18134 6916 1 20 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.501 0.059 18134 6917 1 20 . 1 1 69 69 LEU H H 69 7.180 7.180 7.624 -0.444 18134 6918 1 20 . 1 1 70 70 ARG N N 70 123.140 123.140 119.583 3.557 18134 6919 1 20 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.087 -0.167 18134 6920 1 20 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.899 0.881 18134 6921 1 20 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.260 -0.040 18134 6922 1 20 . 1 1 70 70 ARG H H 70 7.990 7.990 7.851 0.139 18134 6923 1 20 . 1 1 71 71 ASP N N 71 121.960 121.960 118.749 3.211 18134 6924 1 20 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.450 -0.000 18134 6925 1 20 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.639 0.721 18134 6926 1 20 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.830 -0.279 18134 6927 1 20 . 1 1 71 71 ASP H H 71 8.460 8.460 8.207 0.253 18134 6928 1 20 . 1 1 72 72 ILE N N 72 112.900 112.900 110.704 2.196 18134 6929 1 20 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.320 0.170 18134 6930 1 20 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.282 -0.322 18134 6931 1 20 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.630 -0.330 18134 6932 1 20 . 1 1 72 72 ILE H H 72 7.180 7.180 7.451 -0.271 18134 6933 1 20 . 1 1 73 73 GLY N N 73 108.400 108.400 106.805 1.595 18134 6934 1 20 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.751 1.399 18134 6935 1 20 . 1 1 73 73 GLY H H 73 7.650 7.650 7.321 0.329 18134 6936 1 20 . 1 1 74 74 ILE N N 74 123.110 123.110 124.947 -1.837 18134 6937 1 20 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.397 0.733 18134 6938 1 20 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.003 -0.773 18134 6939 1 20 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.543 -2.103 18134 6940 1 20 . 1 1 74 74 ILE H H 74 7.860 7.860 7.663 0.197 18134 6941 1 20 . 1 1 75 75 SER HA H 75 3.820 3.820 4.593 -0.773 18134 6942 1 20 . 1 1 75 75 SER CA C 75 59.540 59.540 57.342 2.198 18134 6943 1 20 . 1 1 75 75 SER CB C 75 63.630 63.630 64.342 -0.712 18134 6944 1 20 . 1 1 76 76 ASP N N 76 127.640 127.640 122.549 5.091 18134 6945 1 20 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.933 -0.133 18134 6946 1 20 . 1 1 76 76 ASP CA C 76 52.300 52.300 51.121 1.179 18134 6947 1 20 . 1 1 76 76 ASP CB C 76 42.040 42.040 43.440 -1.400 18134 6948 1 20 . 1 1 76 76 ASP H H 76 8.000 8.000 7.655 0.345 18134 6949 1 20 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.261 -0.271 18134 6950 1 20 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.363 0.217 18134 6951 1 20 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.073 2.367 18134 6952 1 20 . 1 1 78 78 GLN N N 78 120.390 120.390 115.649 4.741 18134 6953 1 20 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.138 0.012 18134 6954 1 20 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.334 0.846 18134 6955 1 20 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.721 0.079 18134 6956 1 20 . 1 1 78 78 GLN H H 78 8.200 8.200 8.908 -0.708 18134 6957 1 20 . 1 1 79 79 HIS N N 79 123.160 123.160 116.775 6.385 18134 6958 1 20 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.690 -0.290 18134 6959 1 20 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.773 0.717 18134 6960 1 20 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.470 0.710 18134 6961 1 20 . 1 1 79 79 HIS H H 79 8.060 8.060 7.794 0.266 18134 6962 1 20 . 1 1 80 80 ARG N N 80 118.250 118.250 120.672 -2.422 18134 6963 1 20 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.125 -0.365 18134 6964 1 20 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.925 1.915 18134 6965 1 20 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.447 1.333 18134 6966 1 20 . 1 1 80 80 ARG H H 80 8.060 8.060 8.375 -0.315 18134 6967 1 20 . 1 1 81 81 ARG N N 81 118.850 118.850 119.104 -0.254 18134 6968 1 20 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.161 -0.231 18134 6969 1 20 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.997 1.273 18134 6970 1 20 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.129 0.091 18134 6971 1 20 . 1 1 81 81 ARG H H 81 7.700 7.700 8.079 -0.379 18134 6972 1 20 . 1 1 82 82 LYS N N 82 121.700 121.700 119.826 1.874 18134 6973 1 20 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.082 -0.032 18134 6974 1 20 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.970 -0.310 18134 6975 1 20 . 1 1 82 82 LYS CB C 82 33.110 33.110 31.931 1.179 18134 6976 1 20 . 1 1 82 82 LYS H H 82 8.030 8.030 7.936 0.094 18134 6977 1 20 . 1 1 83 83 LEU N N 83 122.310 122.310 120.288 2.022 18134 6978 1 20 . 1 1 83 83 LEU HA H 83 3.810 3.810 3.993 -0.183 18134 6979 1 20 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.886 0.574 18134 6980 1 20 . 1 1 83 83 LEU CB C 83 42.650 42.650 42.021 0.629 18134 6981 1 20 . 1 1 83 83 LEU H H 83 8.130 8.130 7.574 0.556 18134 6982 1 20 . 1 1 84 84 LEU N N 84 119.760 119.760 118.770 0.990 18134 6983 1 20 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.055 -0.085 18134 6984 1 20 . 1 1 84 84 LEU CA C 84 58.340 58.340 57.522 0.818 18134 6985 1 20 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.573 0.467 18134 6986 1 20 . 1 1 84 84 LEU H H 84 8.030 8.030 7.657 0.373 18134 6987 1 20 . 1 1 85 85 GLN N N 85 119.520 119.520 119.145 0.375 18134 6988 1 20 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.055 -0.055 18134 6989 1 20 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.934 0.066 18134 6990 1 20 . 1 1 85 85 GLN CB C 85 28.890 28.890 29.004 -0.114 18134 6991 1 20 . 1 1 85 85 GLN H H 85 8.340 8.340 8.019 0.321 18134 6992 1 20 . 1 1 86 86 ALA N N 86 124.280 124.280 120.807 3.473 18134 6993 1 20 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.402 -0.112 18134 6994 1 20 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.170 1.030 18134 6995 1 20 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.711 0.639 18134 6996 1 20 . 1 1 86 86 ALA H H 86 8.320 8.320 8.338 -0.018 18134 6997 1 20 . 1 1 87 87 ALA N N 87 124.840 124.840 120.122 4.718 18134 6998 1 20 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.347 -0.297 18134 6999 1 20 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.047 1.273 18134 7000 1 20 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.376 -1.226 18134 7001 1 20 . 1 1 87 87 ALA H H 87 8.770 8.770 7.727 1.043 18134 7002 1 20 . 1 1 88 88 ARG N N 88 118.020 118.020 116.775 1.245 18134 7003 1 20 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.324 -0.084 18134 7004 1 20 . 1 1 88 88 ARG CA C 88 58.090 58.090 57.387 0.703 18134 7005 1 20 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.523 -0.082 18134 7006 1 20 . 1 1 88 88 ARG H H 88 8.010 8.010 7.729 0.281 18134 7007 1 20 . 1 1 89 89 SER N N 89 115.060 115.060 113.989 1.071 18134 7008 1 20 . 1 1 89 89 SER HA H 89 4.530 4.530 4.332 0.198 18134 7009 1 20 . 1 1 89 89 SER CA C 89 58.630 58.630 58.946 -0.316 18134 7010 1 20 . 1 1 89 89 SER CB C 89 64.370 64.370 63.576 0.794 18134 7011 1 20 . 1 1 89 89 SER H H 89 7.620 7.620 7.712 -0.092 18134 7012 1 20 . 1 1 90 90 LEU N N 90 126.540 126.540 122.620 3.920 18134 7013 1 20 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.212 0.198 18134 7014 1 20 . 1 1 90 90 LEU CA C 90 54.470 54.470 55.416 -0.946 18134 7015 1 20 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.982 -0.542 18134 7016 1 20 . 1 1 90 90 LEU H H 90 7.350 7.350 7.221 0.129 18134 7017 1 20 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.363 0.027 18134 7018 1 20 . 1 1 91 91 PRO CA C 91 63.280 63.280 64.485 -1.205 18134 7019 1 20 . 1 1 91 91 PRO CB C 91 32.510 32.510 31.757 0.753 18134 7020 1 20 . 1 1 92 92 LYS N N 92 122.480 122.480 115.754 6.726 18134 7021 1 20 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.528 -0.208 18134 7022 1 20 . 1 1 92 92 LYS CA C 92 56.280 56.280 54.493 1.787 18134 7023 1 20 . 1 1 92 92 LYS CB C 92 33.350 33.350 31.022 2.328 18134 7024 1 20 . 1 1 92 92 LYS H H 92 8.330 8.330 7.800 0.530 18134 7025 1 20 . 1 1 93 93 VAL N N 93 122.310 122.310 121.482 0.828 18134 7026 1 20 . 1 1 93 93 VAL HA H 93 4.070 4.070 3.735 0.335 18134 7027 1 20 . 1 1 93 93 VAL CA C 93 63.130 63.130 63.194 -0.064 18134 7028 1 20 . 1 1 93 93 VAL CB C 93 33.230 33.230 32.751 0.479 18134 7029 1 20 . 1 1 93 93 VAL H H 93 8.060 8.060 7.271 0.789 18134 7030 1 20 . 1 1 94 94 LYS N N 94 127.330 127.330 127.555 -0.225 18134 7031 1 20 . 1 1 94 94 LYS HA H 94 4.290 4.290 3.984 0.306 18134 7032 1 20 . 1 1 94 94 LYS CA C 94 56.530 56.530 58.314 -1.784 18134 7033 1 20 . 1 1 94 94 LYS CB C 94 33.470 33.470 32.728 0.742 18134 7034 1 20 . 1 1 94 94 LYS H H 94 8.340 8.340 8.467 -0.127 18134 7035 1 20 . 1 1 95 95 ALA N N 95 127.620 127.620 120.142 7.478 18134 7036 1 20 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.060 0.210 18134 7037 1 20 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.365 0.615 18134 7038 1 20 . 1 1 95 95 ALA CB C 95 19.350 19.350 18.214 1.136 18134 7039 1 20 . 1 1 95 95 ALA H H 95 8.290 8.290 7.756 0.534 18134 7040 1 20 . 1 1 96 96 LEU N N 96 123.670 123.670 119.496 4.174 18134 7041 1 20 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.131 0.169 18134 7042 1 20 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.641 0.889 18134 7043 1 20 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.751 -0.101 18134 7044 1 20 . 1 1 96 96 LEU H H 96 8.240 8.240 8.187 0.053 18134 7045 1 20 . 1 1 97 97 GLY N N 97 111.540 111.540 107.748 3.792 18134 7046 1 20 . 1 1 97 97 GLY CA C 97 45.780 45.780 46.135 -0.355 18134 7047 1 20 . 1 1 97 97 GLY H H 97 8.400 8.400 8.323 0.077 18134 7048 1 20 . 1 1 98 98 TYR N N 98 122.570 122.570 120.818 1.752 18134 7049 1 20 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.592 -0.002 18134 7050 1 20 . 1 1 98 98 TYR CA C 98 58.340 58.340 59.163 -0.823 18134 7051 1 20 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.252 -0.102 18134 7052 1 20 . 1 1 98 98 TYR H H 98 8.060 8.060 8.242 -0.182 18134 7053 1 20 . 1 1 99 99 ASP N N 99 124.880 124.880 122.267 2.613 18134 7054 1 20 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.689 -0.129 18134 7055 1 20 . 1 1 99 99 ASP CA C 99 55.400 55.400 53.165 2.235 18134 7056 1 20 . 1 1 99 99 ASP CB C 99 41.650 41.650 43.616 -1.966 18134 7057 1 20 . 1 1 99 99 ASP H H 99 8.350 8.350 7.852 0.498 18134 7058 1 20 . 1 1 100 100 GLY N N 100 110.340 110.340 108.328 2.012 18134 7059 1 20 . 1 1 100 100 GLY CA C 100 45.610 45.610 45.340 0.270 18134 7060 1 20 . 1 1 100 100 GLY H H 100 7.540 7.540 8.347 -0.807 18134 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 70 3.339 -2.334 2.405 18134 2 1 1 "Average Difference" HA 84 0.264 0.013 0.265 18134 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18134 4 1 1 "Average Difference" CA 74 1.099 -0.623 0.912 18134 5 1 1 "Average Difference" CB 68 1.033 -0.285 1.000 18134 6 1 1 "Average Difference" HN 71 0.452 -0.081 0.448 18134 7 1 2 "Average Difference" N 70 3.475 -2.378 2.552 18134 8 1 2 "Average Difference" HA 84 0.266 0.020 0.267 18134 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18134 10 1 2 "Average Difference" CA 74 1.229 -0.710 1.010 18134 11 1 2 "Average Difference" CB 68 1.144 -0.269 1.120 18134 12 1 2 "Average Difference" HN 71 0.477 -0.060 0.477 18134 13 1 3 "Average Difference" N 70 3.356 -2.331 2.431 18134 14 1 3 "Average Difference" HA 84 0.264 0.012 0.265 18134 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18134 16 1 3 "Average Difference" CA 74 1.088 -0.605 0.910 18134 17 1 3 "Average Difference" CB 68 1.132 -0.227 1.117 18134 18 1 3 "Average Difference" HN 71 0.461 -0.066 0.460 18134 19 1 4 "Average Difference" N 70 3.503 -2.572 2.397 18134 20 1 4 "Average Difference" HA 84 0.290 0.022 0.291 18134 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18134 22 1 4 "Average Difference" CA 74 1.164 -0.601 1.004 18134 23 1 4 "Average Difference" CB 68 1.081 -0.237 1.062 18134 24 1 4 "Average Difference" HN 71 0.492 -0.058 0.492 18134 25 1 5 "Average Difference" N 70 3.536 -2.299 2.706 18134 26 1 5 "Average Difference" HA 84 0.245 0.012 0.246 18134 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18134 28 1 5 "Average Difference" CA 74 1.174 -0.649 0.985 18134 29 1 5 "Average Difference" CB 68 0.966 -0.249 0.941 18134 30 1 5 "Average Difference" HN 71 0.460 -0.060 0.459 18134 31 1 6 "Average Difference" N 70 3.678 -2.589 2.631 18134 32 1 6 "Average Difference" HA 84 0.268 0.016 0.269 18134 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18134 34 1 6 "Average Difference" CA 74 1.122 -0.613 0.946 18134 35 1 6 "Average Difference" CB 68 1.031 -0.173 1.024 18134 36 1 6 "Average Difference" HN 71 0.452 -0.061 0.451 18134 37 1 7 "Average Difference" N 70 3.283 -2.189 2.464 18134 38 1 7 "Average Difference" HA 84 0.269 0.009 0.271 18134 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18134 40 1 7 "Average Difference" CA 74 1.140 -0.537 1.013 18134 41 1 7 "Average Difference" CB 68 1.086 -0.243 1.066 18134 42 1 7 "Average Difference" HN 71 0.460 -0.052 0.460 18134 43 1 8 "Average Difference" N 70 3.299 -2.440 2.236 18134 44 1 8 "Average Difference" HA 84 0.252 0.013 0.253 18134 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18134 46 1 8 "Average Difference" CA 74 1.147 -0.596 0.987 18134 47 1 8 "Average Difference" CB 68 1.004 -0.278 0.972 18134 48 1 8 "Average Difference" HN 71 0.469 -0.067 0.467 18134 49 1 9 "Average Difference" N 70 3.481 -2.414 2.526 18134 50 1 9 "Average Difference" HA 84 0.245 0.021 0.246 18134 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18134 52 1 9 "Average Difference" CA 74 1.157 -0.603 0.995 18134 53 1 9 "Average Difference" CB 68 1.119 -0.283 1.090 18134 54 1 9 "Average Difference" HN 71 0.461 -0.032 0.463 18134 55 1 10 "Average Difference" N 70 3.331 -2.404 2.322 18134 56 1 10 "Average Difference" HA 84 0.250 0.014 0.251 18134 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18134 58 1 10 "Average Difference" CA 74 1.034 -0.541 0.887 18134 59 1 10 "Average Difference" CB 68 1.098 -0.308 1.062 18134 60 1 10 "Average Difference" HN 71 0.453 -0.063 0.452 18134 61 1 11 "Average Difference" N 70 3.369 -2.352 2.429 18134 62 1 11 "Average Difference" HA 84 0.249 -0.003 0.251 18134 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18134 64 1 11 "Average Difference" CA 74 1.044 -0.481 0.933 18134 65 1 11 "Average Difference" CB 68 1.094 -0.247 1.074 18134 66 1 11 "Average Difference" HN 71 0.478 -0.061 0.477 18134 67 1 12 "Average Difference" N 70 3.571 -2.556 2.512 18134 68 1 12 "Average Difference" HA 84 0.261 0.026 0.261 18134 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18134 70 1 12 "Average Difference" CA 74 1.188 -0.593 1.036 18134 71 1 12 "Average Difference" CB 68 1.193 -0.241 1.177 18134 72 1 12 "Average Difference" HN 71 0.477 -0.089 0.472 18134 73 1 13 "Average Difference" N 70 3.198 -2.140 2.394 18134 74 1 13 "Average Difference" HA 84 0.253 0.023 0.254 18134 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18134 76 1 13 "Average Difference" CA 74 1.125 -0.592 0.964 18134 77 1 13 "Average Difference" CB 68 1.095 -0.206 1.083 18134 78 1 13 "Average Difference" HN 71 0.440 -0.034 0.442 18134 79 1 14 "Average Difference" N 70 3.524 -2.474 2.527 18134 80 1 14 "Average Difference" HA 84 0.264 0.010 0.266 18134 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18134 82 1 14 "Average Difference" CA 74 1.122 -0.595 0.959 18134 83 1 14 "Average Difference" CB 68 1.134 -0.255 1.114 18134 84 1 14 "Average Difference" HN 71 0.459 -0.099 0.452 18134 85 1 15 "Average Difference" N 70 3.368 -2.110 2.644 18134 86 1 15 "Average Difference" HA 84 0.261 0.018 0.262 18134 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18134 88 1 15 "Average Difference" CA 74 1.178 -0.652 0.987 18134 89 1 15 "Average Difference" CB 68 1.125 -0.297 1.094 18134 90 1 15 "Average Difference" HN 71 0.480 -0.073 0.478 18134 91 1 16 "Average Difference" N 70 3.231 -2.259 2.327 18134 92 1 16 "Average Difference" HA 84 0.270 0.016 0.271 18134 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18134 94 1 16 "Average Difference" CA 74 1.090 -0.585 0.926 18134 95 1 16 "Average Difference" CB 68 1.218 -0.249 1.202 18134 96 1 16 "Average Difference" HN 71 0.436 -0.049 0.437 18134 97 1 17 "Average Difference" N 70 3.486 -2.469 2.480 18134 98 1 17 "Average Difference" HA 84 0.266 0.032 0.266 18134 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18134 100 1 17 "Average Difference" CA 74 1.119 -0.579 0.964 18134 101 1 17 "Average Difference" CB 68 1.052 -0.233 1.033 18134 102 1 17 "Average Difference" HN 71 0.450 -0.023 0.452 18134 103 1 18 "Average Difference" N 70 3.371 -2.392 2.392 18134 104 1 18 "Average Difference" HA 84 0.253 0.015 0.254 18134 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18134 106 1 18 "Average Difference" CA 74 1.185 -0.609 1.024 18134 107 1 18 "Average Difference" CB 68 1.144 -0.314 1.109 18134 108 1 18 "Average Difference" HN 71 0.438 -0.074 0.435 18134 109 1 19 "Average Difference" N 70 3.648 -2.523 2.653 18134 110 1 19 "Average Difference" HA 84 0.263 -0.007 0.265 18134 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18134 112 1 19 "Average Difference" CA 74 1.123 -0.504 1.010 18134 113 1 19 "Average Difference" CB 68 1.046 -0.235 1.027 18134 114 1 19 "Average Difference" HN 71 0.462 -0.063 0.461 18134 115 1 20 "Average Difference" N 70 3.782 -2.761 2.604 18134 116 1 20 "Average Difference" HA 84 0.266 0.003 0.268 18134 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18134 118 1 20 "Average Difference" CA 74 1.149 -0.481 1.051 18134 119 1 20 "Average Difference" CB 68 1.105 -0.276 1.078 18134 120 1 20 "Average Difference" HN 71 0.471 -0.101 0.463 18134 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 18134 _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 22 22 ILE HA H 22 4.510 4.510 4.433 0.077 18134 2 1 . 1 1 22 22 ILE CA C 22 63.400 63.400 61.498 1.902 18134 3 1 . 1 1 22 22 ILE CB C 22 39.150 39.150 38.699 0.451 18134 4 1 . 1 1 23 23 SER N N 23 120.770 120.770 117.310 3.460 18134 5 1 . 1 1 23 23 SER HA H 23 4.170 4.170 4.544 -0.374 18134 6 1 . 1 1 23 23 SER H H 23 8.370 8.370 8.360 0.010 18134 7 1 . 1 1 26 26 ARG N N 26 123.960 123.960 120.715 3.245 18134 8 1 . 1 1 26 26 ARG HA H 26 4.420 4.420 4.496 -0.076 18134 9 1 . 1 1 26 26 ARG CA C 26 56.400 56.400 56.027 0.373 18134 10 1 . 1 1 26 26 ARG CB C 26 30.220 30.220 30.819 -0.600 18134 11 1 . 1 1 26 26 ARG H H 26 8.160 8.160 8.420 -0.260 18134 12 1 . 1 1 27 27 THR N N 27 117.400 117.400 113.108 4.292 18134 13 1 . 1 1 27 27 THR HA H 27 4.240 4.240 4.552 -0.312 18134 14 1 . 1 1 27 27 THR CA C 27 61.710 61.710 61.373 0.337 18134 15 1 . 1 1 27 27 THR CB C 27 70.280 70.280 70.337 -0.058 18134 16 1 . 1 1 27 27 THR H H 27 8.150 8.150 8.024 0.126 18134 17 1 . 1 1 28 28 LEU N N 28 125.240 125.240 120.136 5.104 18134 18 1 . 1 1 28 28 LEU HA H 28 4.300 4.300 4.502 -0.202 18134 19 1 . 1 1 28 28 LEU CA C 28 55.800 55.800 54.901 0.899 18134 20 1 . 1 1 28 28 LEU CB C 28 42.650 42.650 42.973 -0.323 18134 21 1 . 1 1 28 28 LEU H H 28 8.230 8.230 8.188 0.042 18134 22 1 . 1 1 29 29 GLU N N 29 123.420 123.420 118.482 4.938 18134 23 1 . 1 1 29 29 GLU HA H 29 4.300 4.300 4.259 0.041 18134 24 1 . 1 1 29 29 GLU CA C 29 57.130 57.130 56.623 0.507 18134 25 1 . 1 1 29 29 GLU CB C 29 30.340 30.340 29.317 1.023 18134 26 1 . 1 1 29 29 GLU H H 29 8.360 8.360 8.371 -0.011 18134 27 1 . 1 1 30 30 GLN N N 30 122.830 122.830 118.589 4.241 18134 28 1 . 1 1 30 30 GLN HA H 30 4.540 4.540 4.446 0.094 18134 29 1 . 1 1 30 30 GLN CA C 30 55.920 55.920 55.508 0.412 18134 30 1 . 1 1 30 30 GLN CB C 30 31.300 31.300 29.996 1.304 18134 31 1 . 1 1 30 30 GLN H H 30 8.090 8.090 7.939 0.150 18134 32 1 . 1 1 31 31 SER N N 31 120.590 120.590 116.740 3.850 18134 33 1 . 1 1 31 31 SER HA H 31 4.700 4.700 4.578 0.122 18134 34 1 . 1 1 31 31 SER CA C 31 57.610 57.610 56.846 0.764 18134 35 1 . 1 1 31 31 SER CB C 31 65.900 65.900 64.727 1.173 18134 36 1 . 1 1 31 31 SER H H 31 8.760 8.760 8.350 0.410 18134 37 1 . 1 1 32 32 VAL N N 32 124.160 124.160 122.405 1.755 18134 38 1 . 1 1 32 32 VAL HA H 32 3.770 3.770 4.059 -0.289 18134 39 1 . 1 1 32 32 VAL CA C 32 67.630 67.630 67.138 0.492 18134 40 1 . 1 1 32 32 VAL CB C 32 32.270 32.270 31.746 0.524 18134 41 1 . 1 1 32 32 VAL H H 32 9.030 9.030 8.977 0.053 18134 42 1 . 1 1 33 33 GLY N N 33 110.070 110.070 107.278 2.792 18134 43 1 . 1 1 33 33 GLY CA C 33 48.200 48.200 47.799 0.401 18134 44 1 . 1 1 33 33 GLY H H 33 9.020 9.020 8.438 0.582 18134 45 1 . 1 1 34 34 GLU N N 34 124.850 124.850 123.164 1.686 18134 46 1 . 1 1 34 34 GLU HA H 34 4.080 4.080 4.106 -0.025 18134 47 1 . 1 1 34 34 GLU CA C 34 59.420 59.420 58.865 0.555 18134 48 1 . 1 1 34 34 GLU CB C 34 30.340 30.340 28.934 1.406 18134 49 1 . 1 1 34 34 GLU H H 34 7.960 7.960 8.363 -0.403 18134 50 1 . 1 1 35 35 TRP N N 35 125.670 125.670 121.197 4.473 18134 51 1 . 1 1 35 35 TRP HA H 35 4.240 4.240 4.370 -0.130 18134 52 1 . 1 1 35 35 TRP CA C 35 61.710 61.710 60.333 1.377 18134 53 1 . 1 1 35 35 TRP CB C 35 28.280 28.280 29.117 -0.837 18134 54 1 . 1 1 35 35 TRP H H 35 8.580 8.580 8.303 0.277 18134 55 1 . 1 1 36 36 LEU N N 36 121.440 121.440 117.758 3.682 18134 56 1 . 1 1 36 36 LEU HA H 36 3.350 3.350 3.401 -0.051 18134 57 1 . 1 1 36 36 LEU CA C 36 57.370 57.370 57.729 -0.359 18134 58 1 . 1 1 36 36 LEU CB C 36 41.920 41.920 41.265 0.655 18134 59 1 . 1 1 36 36 LEU H H 36 9.130 9.130 8.410 0.720 18134 60 1 . 1 1 37 37 GLU N N 37 122.290 122.290 119.726 2.564 18134 61 1 . 1 1 37 37 GLU HA H 37 4.010 4.010 3.993 0.017 18134 62 1 . 1 1 37 37 GLU CA C 37 59.060 59.060 59.309 -0.249 18134 63 1 . 1 1 37 37 GLU CB C 37 29.060 29.060 29.276 -0.216 18134 64 1 . 1 1 37 37 GLU H H 37 8.250 8.250 8.438 -0.188 18134 65 1 . 1 1 38 38 SER N N 38 118.850 118.850 112.973 5.877 18134 66 1 . 1 1 38 38 SER HA H 38 4.280 4.280 4.307 -0.027 18134 67 1 . 1 1 38 38 SER CA C 38 61.820 61.820 60.666 1.154 18134 68 1 . 1 1 38 38 SER CB C 38 63.650 63.650 63.462 0.188 18134 69 1 . 1 1 38 38 SER H H 38 7.850 7.850 7.803 0.047 18134 70 1 . 1 1 39 39 ILE N N 39 115.190 115.190 112.972 2.218 18134 71 1 . 1 1 39 39 ILE HA H 39 4.510 4.510 4.432 0.078 18134 72 1 . 1 1 39 39 ILE CA C 39 60.990 60.990 60.890 0.100 18134 73 1 . 1 1 39 39 ILE CB C 39 38.660 38.660 39.333 -0.673 18134 74 1 . 1 1 39 39 ILE H H 39 6.940 6.940 7.195 -0.255 18134 75 1 . 1 1 40 40 GLY N N 40 112.250 112.250 108.719 3.531 18134 76 1 . 1 1 40 40 GLY CA C 40 47.180 47.180 45.439 1.741 18134 77 1 . 1 1 40 40 GLY H H 40 7.630 7.630 7.964 -0.334 18134 78 1 . 1 1 41 41 LEU N N 41 121.470 121.470 119.890 1.580 18134 79 1 . 1 1 41 41 LEU HA H 41 4.770 4.770 4.529 0.241 18134 80 1 . 1 1 41 41 LEU CA C 41 53.630 53.630 53.426 0.204 18134 81 1 . 1 1 41 41 LEU CB C 41 43.130 43.130 42.327 0.803 18134 82 1 . 1 1 41 41 LEU H H 41 7.810 7.810 8.278 -0.468 18134 83 1 . 1 1 42 42 GLN N N 42 122.310 122.310 120.032 2.278 18134 84 1 . 1 1 42 42 GLN HA H 42 3.890 3.890 3.859 0.031 18134 85 1 . 1 1 42 42 GLN CA C 42 59.410 59.410 59.522 -0.112 18134 86 1 . 1 1 42 42 GLN CB C 42 27.560 27.560 28.291 -0.731 18134 87 1 . 1 1 42 42 GLN H H 42 9.070 9.070 7.910 1.160 18134 88 1 . 1 1 43 43 GLN HA H 43 4.240 4.240 4.053 0.187 18134 89 1 . 1 1 43 43 GLN CA C 43 58.000 58.000 58.343 -0.343 18134 90 1 . 1 1 43 43 GLN CB C 43 27.320 27.320 27.656 -0.336 18134 91 1 . 1 1 44 44 TYR N N 44 121.180 121.180 120.203 0.977 18134 92 1 . 1 1 44 44 TYR HA H 44 4.790 4.790 4.511 0.279 18134 93 1 . 1 1 44 44 TYR CA C 44 58.580 58.580 57.231 1.349 18134 94 1 . 1 1 44 44 TYR CB C 44 38.300 38.300 38.122 0.178 18134 95 1 . 1 1 44 44 TYR H H 44 7.640 7.640 8.016 -0.376 18134 96 1 . 1 1 45 45 GLU N N 45 124.810 124.810 121.005 3.805 18134 97 1 . 1 1 45 45 GLU HA H 45 3.610 3.610 3.866 -0.256 18134 98 1 . 1 1 45 45 GLU CA C 45 61.590 61.590 60.004 1.586 18134 99 1 . 1 1 45 45 GLU CB C 45 30.090 30.090 29.265 0.825 18134 100 1 . 1 1 45 45 GLU H H 45 7.850 7.850 7.744 0.106 18134 101 1 . 1 1 46 46 SER N N 46 114.660 114.660 114.855 -0.195 18134 102 1 . 1 1 46 46 SER HA H 46 4.000 4.000 4.171 -0.171 18134 103 1 . 1 1 46 46 SER CA C 46 62.920 62.920 61.611 1.308 18134 104 1 . 1 1 46 46 SER H H 46 8.790 8.790 8.230 0.560 18134 105 1 . 1 1 47 47 LYS N N 47 122.810 122.810 121.414 1.396 18134 106 1 . 1 1 47 47 LYS HA H 47 4.120 4.120 4.151 -0.031 18134 107 1 . 1 1 47 47 LYS CA C 47 59.560 59.560 58.729 0.831 18134 108 1 . 1 1 47 47 LYS CB C 47 32.950 32.950 32.331 0.619 18134 109 1 . 1 1 47 47 LYS H H 47 7.810 7.810 7.765 0.045 18134 110 1 . 1 1 48 48 LEU N N 48 121.420 121.420 119.063 2.357 18134 111 1 . 1 1 48 48 LEU HA H 48 4.210 4.210 4.297 -0.087 18134 112 1 . 1 1 48 48 LEU CA C 48 59.420 59.420 56.439 2.981 18134 113 1 . 1 1 48 48 LEU CB C 48 40.350 40.350 41.951 -1.601 18134 114 1 . 1 1 48 48 LEU H H 48 8.010 8.010 7.669 0.340 18134 115 1 . 1 1 49 49 LEU N N 49 121.260 121.260 120.672 0.588 18134 116 1 . 1 1 49 49 LEU HA H 49 3.890 3.890 4.425 -0.535 18134 117 1 . 1 1 49 49 LEU CA C 49 59.060 59.060 57.463 1.597 18134 118 1 . 1 1 49 49 LEU CB C 49 41.920 41.920 42.643 -0.723 18134 119 1 . 1 1 49 49 LEU H H 49 8.520 8.520 7.613 0.907 18134 120 1 . 1 1 50 50 LEU N N 50 121.260 121.260 120.617 0.643 18134 121 1 . 1 1 50 50 LEU HA H 50 4.220 4.220 4.137 0.083 18134 122 1 . 1 1 50 50 LEU CA C 50 57.010 57.010 57.049 -0.039 18134 123 1 . 1 1 50 50 LEU CB C 50 42.160 42.160 41.799 0.361 18134 124 1 . 1 1 50 50 LEU H H 50 8.530 8.530 8.572 -0.042 18134 125 1 . 1 1 51 51 ASN N N 51 116.660 116.660 116.296 0.364 18134 126 1 . 1 1 51 51 ASN HA H 51 4.840 4.840 4.812 0.028 18134 127 1 . 1 1 51 51 ASN CA C 51 54.110 54.110 53.118 0.992 18134 128 1 . 1 1 51 51 ASN CB C 51 40.960 40.960 38.880 2.080 18134 129 1 . 1 1 51 51 ASN H H 51 7.280 7.280 7.703 -0.423 18134 130 1 . 1 1 52 52 GLY N N 52 107.530 107.530 107.514 0.016 18134 131 1 . 1 1 52 52 GLY CA C 52 46.130 46.130 46.318 -0.188 18134 132 1 . 1 1 52 52 GLY H H 52 7.720 7.720 7.802 -0.082 18134 133 1 . 1 1 53 53 PHE N N 53 123.430 123.430 118.633 4.797 18134 134 1 . 1 1 53 53 PHE HA H 53 4.800 4.800 4.709 0.090 18134 135 1 . 1 1 53 53 PHE CA C 53 56.650 56.650 56.302 0.348 18134 136 1 . 1 1 53 53 PHE CB C 53 38.100 38.100 39.794 -1.694 18134 137 1 . 1 1 53 53 PHE H H 53 8.210 8.210 7.591 0.619 18134 138 1 . 1 1 54 54 ASP N N 54 117.170 117.170 119.497 -2.327 18134 139 1 . 1 1 54 54 ASP HA H 54 4.570 4.570 4.542 0.028 18134 140 1 . 1 1 54 54 ASP CA C 54 53.990 53.990 55.371 -1.381 18134 141 1 . 1 1 54 54 ASP CB C 54 41.800 41.800 40.864 0.936 18134 142 1 . 1 1 54 54 ASP H H 54 7.720 7.720 8.313 -0.593 18134 143 1 . 1 1 55 55 ASP N N 55 121.390 121.390 120.928 0.462 18134 144 1 . 1 1 55 55 ASP HA H 55 4.660 4.660 4.550 0.110 18134 145 1 . 1 1 55 55 ASP CB C 55 39.270 39.270 40.123 -0.853 18134 146 1 . 1 1 55 55 ASP H H 55 7.830 7.830 8.077 -0.247 18134 147 1 . 1 1 56 56 VAL HA H 56 3.410 3.410 3.735 -0.325 18134 148 1 . 1 1 56 56 VAL CA C 56 66.060 66.060 64.895 1.165 18134 149 1 . 1 1 56 56 VAL CB C 56 31.780 31.780 31.704 0.076 18134 150 1 . 1 1 56 56 VAL H H 56 8.800 8.800 8.305 0.496 18134 151 1 . 1 1 57 57 HIS N N 57 121.390 121.390 115.422 5.968 18134 152 1 . 1 1 57 57 HIS HA H 57 4.200 4.200 4.570 -0.370 18134 153 1 . 1 1 57 57 HIS CB C 57 29.130 29.130 28.852 0.278 18134 154 1 . 1 1 57 57 HIS H H 57 8.390 8.390 8.220 0.170 18134 155 1 . 1 1 58 58 PHE N N 58 121.980 121.980 118.187 3.793 18134 156 1 . 1 1 58 58 PHE HA H 58 4.360 4.360 4.662 -0.302 18134 157 1 . 1 1 58 58 PHE CA C 58 60.150 60.150 58.009 2.141 18134 158 1 . 1 1 58 58 PHE CB C 58 39.870 39.870 40.939 -1.069 18134 159 1 . 1 1 58 58 PHE H H 58 7.930 7.930 7.878 0.052 18134 160 1 . 1 1 59 59 LEU N N 59 121.800 121.800 120.334 1.466 18134 161 1 . 1 1 59 59 LEU HA H 59 4.040 4.040 4.221 -0.181 18134 162 1 . 1 1 59 59 LEU CA C 59 57.730 57.730 57.740 -0.010 18134 163 1 . 1 1 59 59 LEU CB C 59 41.920 41.920 41.432 0.488 18134 164 1 . 1 1 59 59 LEU H H 59 7.730 7.730 7.579 0.151 18134 165 1 . 1 1 60 60 GLY N N 60 106.180 106.180 102.556 3.624 18134 166 1 . 1 1 60 60 GLY CA C 60 46.100 46.100 45.043 1.056 18134 167 1 . 1 1 60 60 GLY H H 60 7.800 7.800 8.371 -0.571 18134 168 1 . 1 1 61 61 SER N N 61 116.150 116.150 115.366 0.784 18134 169 1 . 1 1 61 61 SER HA H 61 4.770 4.770 4.378 0.392 18134 170 1 . 1 1 61 61 SER CA C 61 59.370 59.370 58.983 0.386 18134 171 1 . 1 1 61 61 SER CB C 61 64.450 64.450 63.914 0.536 18134 172 1 . 1 1 61 61 SER H H 61 7.610 7.610 7.808 -0.198 18134 173 1 . 1 1 62 62 ASN HA H 62 4.670 4.670 4.624 0.046 18134 174 1 . 1 1 62 62 ASN CA C 62 53.870 53.870 54.245 -0.375 18134 175 1 . 1 1 62 62 ASN CB C 62 39.150 39.150 39.445 -0.295 18134 176 1 . 1 1 63 63 VAL N N 63 120.030 120.030 121.405 -1.375 18134 177 1 . 1 1 63 63 VAL HA H 63 4.090 4.090 3.864 0.226 18134 178 1 . 1 1 63 63 VAL CA C 63 62.680 62.680 64.298 -1.617 18134 179 1 . 1 1 63 63 VAL CB C 63 32.870 32.870 32.331 0.539 18134 180 1 . 1 1 63 63 VAL H H 63 7.770 7.770 8.486 -0.716 18134 181 1 . 1 1 64 64 MET N N 64 125.400 125.400 116.168 9.232 18134 182 1 . 1 1 64 64 MET HA H 64 4.460 4.460 4.167 0.293 18134 183 1 . 1 1 64 64 MET CA C 64 55.610 55.610 56.023 -0.412 18134 184 1 . 1 1 64 64 MET CB C 64 34.400 34.400 30.577 3.823 18134 185 1 . 1 1 64 64 MET H H 64 7.900 7.900 8.122 -0.222 18134 186 1 . 1 1 65 65 GLU N N 65 124.210 124.210 118.745 5.465 18134 187 1 . 1 1 65 65 GLU HA H 65 4.680 4.680 4.442 0.238 18134 188 1 . 1 1 65 65 GLU CA C 65 54.720 54.720 55.672 -0.952 18134 189 1 . 1 1 65 65 GLU CB C 65 33.000 33.000 31.757 1.243 18134 190 1 . 1 1 65 65 GLU H H 65 8.810 8.810 7.982 0.828 18134 191 1 . 1 1 66 66 GLU N N 66 125.500 125.500 120.533 4.967 18134 192 1 . 1 1 66 66 GLU HA H 66 3.660 3.660 3.887 -0.227 18134 193 1 . 1 1 66 66 GLU CA C 66 61.620 61.620 60.087 1.533 18134 194 1 . 1 1 66 66 GLU CB C 66 29.250 29.250 29.408 -0.158 18134 195 1 . 1 1 66 66 GLU H H 66 9.290 9.290 8.852 0.438 18134 196 1 . 1 1 67 67 GLN N N 67 119.780 119.780 118.942 0.838 18134 197 1 . 1 1 67 67 GLN HA H 67 3.740 3.740 4.071 -0.331 18134 198 1 . 1 1 67 67 GLN CA C 67 59.060 59.060 59.326 -0.266 18134 199 1 . 1 1 67 67 GLN CB C 67 29.080 29.080 28.080 1.000 18134 200 1 . 1 1 67 67 GLN H H 67 9.090 9.090 8.496 0.594 18134 201 1 . 1 1 68 68 ASP N N 68 119.450 119.450 119.458 -0.008 18134 202 1 . 1 1 68 68 ASP HA H 68 4.460 4.460 4.457 0.003 18134 203 1 . 1 1 68 68 ASP CA C 68 57.800 57.800 57.326 0.474 18134 204 1 . 1 1 68 68 ASP CB C 68 41.390 41.390 40.563 0.827 18134 205 1 . 1 1 68 68 ASP H H 68 7.400 7.400 8.185 -0.785 18134 206 1 . 1 1 69 69 LEU N N 69 116.950 116.950 118.483 -1.533 18134 207 1 . 1 1 69 69 LEU HA H 69 4.140 4.140 3.966 0.174 18134 208 1 . 1 1 69 69 LEU CA C 69 56.530 56.530 57.269 -0.739 18134 209 1 . 1 1 69 69 LEU CB C 69 41.560 41.560 41.632 -0.072 18134 210 1 . 1 1 69 69 LEU H H 69 7.180 7.180 7.730 -0.550 18134 211 1 . 1 1 70 70 ARG N N 70 123.140 123.140 119.443 3.697 18134 212 1 . 1 1 70 70 ARG HA H 70 3.920 3.920 4.049 -0.129 18134 213 1 . 1 1 70 70 ARG CA C 70 59.780 59.780 58.890 0.890 18134 214 1 . 1 1 70 70 ARG CB C 70 30.220 30.220 30.106 0.114 18134 215 1 . 1 1 70 70 ARG H H 70 7.990 7.990 7.737 0.253 18134 216 1 . 1 1 71 71 ASP N N 71 121.960 121.960 118.775 3.185 18134 217 1 . 1 1 71 71 ASP HA H 71 4.450 4.450 4.439 0.011 18134 218 1 . 1 1 71 71 ASP CA C 71 57.360 57.360 56.853 0.507 18134 219 1 . 1 1 71 71 ASP CB C 71 40.550 40.550 40.967 -0.417 18134 220 1 . 1 1 71 71 ASP H H 71 8.460 8.460 8.297 0.163 18134 221 1 . 1 1 72 72 ILE N N 72 112.900 112.900 111.823 1.077 18134 222 1 . 1 1 72 72 ILE HA H 72 4.490 4.490 4.229 0.261 18134 223 1 . 1 1 72 72 ILE CA C 72 61.960 61.960 62.110 -0.150 18134 224 1 . 1 1 72 72 ILE CB C 72 38.300 38.300 38.441 -0.141 18134 225 1 . 1 1 72 72 ILE H H 72 7.180 7.180 7.430 -0.250 18134 226 1 . 1 1 73 73 GLY N N 73 108.400 108.400 107.161 1.239 18134 227 1 . 1 1 73 73 GLY CA C 73 46.150 46.150 44.797 1.353 18134 228 1 . 1 1 73 73 GLY H H 73 7.650 7.650 7.317 0.333 18134 229 1 . 1 1 74 74 ILE N N 74 123.110 123.110 124.831 -1.721 18134 230 1 . 1 1 74 74 ILE HA H 74 4.130 4.130 3.406 0.724 18134 231 1 . 1 1 74 74 ILE CA C 74 61.230 61.230 62.173 -0.943 18134 232 1 . 1 1 74 74 ILE CB C 74 34.440 34.440 36.519 -2.079 18134 233 1 . 1 1 74 74 ILE H H 74 7.860 7.860 7.625 0.235 18134 234 1 . 1 1 75 75 SER HA H 75 3.820 3.820 4.551 -0.731 18134 235 1 . 1 1 75 75 SER CA C 75 59.540 59.540 57.553 1.987 18134 236 1 . 1 1 75 75 SER CB C 75 63.630 63.630 64.398 -0.768 18134 237 1 . 1 1 76 76 ASP N N 76 127.640 127.640 123.669 3.971 18134 238 1 . 1 1 76 76 ASP HA H 76 4.800 4.800 4.838 -0.038 18134 239 1 . 1 1 76 76 ASP CA C 76 52.300 52.300 52.229 0.071 18134 240 1 . 1 1 76 76 ASP CB C 76 42.040 42.040 42.301 -0.261 18134 241 1 . 1 1 76 76 ASP H H 76 8.000 8.000 7.912 0.088 18134 242 1 . 1 1 77 77 PRO HA H 77 3.990 3.990 4.267 -0.277 18134 243 1 . 1 1 77 77 PRO CA C 77 65.580 65.580 65.419 0.162 18134 244 1 . 1 1 77 77 PRO CB C 77 34.440 34.440 32.107 2.333 18134 245 1 . 1 1 78 78 GLN N N 78 120.390 120.390 116.061 4.329 18134 246 1 . 1 1 78 78 GLN HA H 78 4.150 4.150 4.178 -0.028 18134 247 1 . 1 1 78 78 GLN CA C 78 59.180 59.180 58.097 1.083 18134 248 1 . 1 1 78 78 GLN CB C 78 27.800 27.800 27.995 -0.195 18134 249 1 . 1 1 78 78 GLN H H 78 8.200 8.200 8.843 -0.643 18134 250 1 . 1 1 79 79 HIS N N 79 123.160 123.160 116.057 7.103 18134 251 1 . 1 1 79 79 HIS HA H 79 4.400 4.400 4.630 -0.230 18134 252 1 . 1 1 79 79 HIS CA C 79 57.490 57.490 56.579 0.911 18134 253 1 . 1 1 79 79 HIS CB C 79 31.180 31.180 30.393 0.787 18134 254 1 . 1 1 79 79 HIS H H 79 8.060 8.060 7.901 0.159 18134 255 1 . 1 1 80 80 ARG N N 80 118.250 118.250 120.552 -2.302 18134 256 1 . 1 1 80 80 ARG HA H 80 3.760 3.760 4.165 -0.405 18134 257 1 . 1 1 80 80 ARG CA C 80 61.840 61.840 59.533 2.307 18134 258 1 . 1 1 80 80 ARG CB C 80 31.780 31.780 30.555 1.225 18134 259 1 . 1 1 80 80 ARG H H 80 8.060 8.060 8.178 -0.118 18134 260 1 . 1 1 81 81 ARG N N 81 118.850 118.850 119.169 -0.319 18134 261 1 . 1 1 81 81 ARG HA H 81 3.930 3.930 4.137 -0.207 18134 262 1 . 1 1 81 81 ARG CA C 81 60.270 60.270 58.809 1.461 18134 263 1 . 1 1 81 81 ARG CB C 81 30.220 30.220 30.018 0.202 18134 264 1 . 1 1 81 81 ARG H H 81 7.700 7.700 8.084 -0.384 18134 265 1 . 1 1 82 82 LYS N N 82 121.700 121.700 119.903 1.797 18134 266 1 . 1 1 82 82 LYS HA H 82 4.050 4.050 4.098 -0.048 18134 267 1 . 1 1 82 82 LYS CA C 82 59.660 59.660 59.678 -0.018 18134 268 1 . 1 1 82 82 LYS CB C 82 33.110 33.110 32.010 1.100 18134 269 1 . 1 1 82 82 LYS H H 82 8.030 8.030 7.941 0.089 18134 270 1 . 1 1 83 83 LEU N N 83 122.310 122.310 119.699 2.611 18134 271 1 . 1 1 83 83 LEU HA H 83 3.810 3.810 4.035 -0.225 18134 272 1 . 1 1 83 83 LEU CA C 83 58.460 58.460 57.446 1.014 18134 273 1 . 1 1 83 83 LEU CB C 83 42.650 42.650 41.709 0.941 18134 274 1 . 1 1 83 83 LEU H H 83 8.130 8.130 7.578 0.552 18134 275 1 . 1 1 84 84 LEU N N 84 119.760 119.760 118.376 1.384 18134 276 1 . 1 1 84 84 LEU HA H 84 3.970 3.970 4.230 -0.260 18134 277 1 . 1 1 84 84 LEU CA C 84 58.340 58.340 56.930 1.410 18134 278 1 . 1 1 84 84 LEU CB C 84 42.040 42.040 41.838 0.202 18134 279 1 . 1 1 84 84 LEU H H 84 8.030 8.030 7.536 0.494 18134 280 1 . 1 1 85 85 GLN N N 85 119.520 119.520 119.886 -0.366 18134 281 1 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.134 -0.134 18134 282 1 . 1 1 85 85 GLN CA C 85 59.000 59.000 58.973 0.027 18134 283 1 . 1 1 85 85 GLN CB C 85 28.890 28.890 28.897 -0.007 18134 284 1 . 1 1 85 85 GLN H H 85 8.340 8.340 8.050 0.290 18134 285 1 . 1 1 86 86 ALA N N 86 124.280 124.280 120.736 3.544 18134 286 1 . 1 1 86 86 ALA HA H 86 4.290 4.290 4.382 -0.092 18134 287 1 . 1 1 86 86 ALA CA C 86 55.200 55.200 54.167 1.033 18134 288 1 . 1 1 86 86 ALA CB C 86 19.350 19.350 18.842 0.508 18134 289 1 . 1 1 86 86 ALA H H 86 8.320 8.320 8.215 0.105 18134 290 1 . 1 1 87 87 ALA N N 87 124.840 124.840 121.039 3.801 18134 291 1 . 1 1 87 87 ALA HA H 87 4.050 4.050 4.157 -0.107 18134 292 1 . 1 1 87 87 ALA CA C 87 55.320 55.320 54.097 1.223 18134 293 1 . 1 1 87 87 ALA CB C 87 18.150 18.150 19.076 -0.926 18134 294 1 . 1 1 87 87 ALA H H 87 8.770 8.770 7.788 0.982 18134 295 1 . 1 1 88 88 ARG N N 88 118.020 118.020 117.315 0.705 18134 296 1 . 1 1 88 88 ARG HA H 88 4.240 4.240 4.169 0.071 18134 297 1 . 1 1 88 88 ARG CA C 88 58.090 58.090 58.149 -0.059 18134 298 1 . 1 1 88 88 ARG CB C 88 30.440 30.440 30.281 0.159 18134 299 1 . 1 1 88 88 ARG H H 88 8.010 8.010 7.810 0.200 18134 300 1 . 1 1 89 89 SER N N 89 115.060 115.060 113.607 1.453 18134 301 1 . 1 1 89 89 SER HA H 89 4.530 4.530 4.346 0.184 18134 302 1 . 1 1 89 89 SER CA C 89 58.630 58.630 59.233 -0.603 18134 303 1 . 1 1 89 89 SER CB C 89 64.370 64.370 63.491 0.879 18134 304 1 . 1 1 89 89 SER H H 89 7.620 7.620 7.731 -0.111 18134 305 1 . 1 1 90 90 LEU N N 90 126.540 126.540 123.536 3.004 18134 306 1 . 1 1 90 90 LEU HA H 90 4.410 4.410 4.318 0.092 18134 307 1 . 1 1 90 90 LEU CA C 90 54.470 54.470 54.188 0.282 18134 308 1 . 1 1 90 90 LEU CB C 90 41.440 41.440 41.813 -0.373 18134 309 1 . 1 1 90 90 LEU H H 90 7.350 7.350 7.141 0.209 18134 310 1 . 1 1 91 91 PRO HA H 91 4.390 4.390 4.450 -0.060 18134 311 1 . 1 1 91 91 PRO CA C 91 63.280 63.280 62.670 0.610 18134 312 1 . 1 1 91 91 PRO CB C 91 32.510 32.510 32.115 0.395 18134 313 1 . 1 1 92 92 LYS N N 92 122.480 122.480 118.643 3.837 18134 314 1 . 1 1 92 92 LYS HA H 92 4.320 4.320 4.165 0.155 18134 315 1 . 1 1 92 92 LYS CA C 92 56.280 56.280 55.954 0.326 18134 316 1 . 1 1 92 92 LYS CB C 92 33.350 33.350 31.989 1.361 18134 317 1 . 1 1 92 92 LYS H H 92 8.330 8.330 8.176 0.154 18134 318 1 . 1 1 93 93 VAL N N 93 122.310 122.310 120.708 1.602 18134 319 1 . 1 1 93 93 VAL HA H 93 4.070 4.070 4.080 -0.010 18134 320 1 . 1 1 93 93 VAL CA C 93 63.130 63.130 61.670 1.460 18134 321 1 . 1 1 93 93 VAL CB C 93 33.230 33.230 33.486 -0.256 18134 322 1 . 1 1 93 93 VAL H H 93 8.060 8.060 8.044 0.016 18134 323 1 . 1 1 94 94 LYS N N 94 127.330 127.330 127.422 -0.092 18134 324 1 . 1 1 94 94 LYS HA H 94 4.290 4.290 4.205 0.085 18134 325 1 . 1 1 94 94 LYS CA C 94 56.530 56.530 56.735 -0.205 18134 326 1 . 1 1 94 94 LYS CB C 94 33.470 33.470 31.862 1.608 18134 327 1 . 1 1 94 94 LYS H H 94 8.340 8.340 8.525 -0.185 18134 328 1 . 1 1 95 95 ALA N N 95 127.620 127.620 123.434 4.186 18134 329 1 . 1 1 95 95 ALA HA H 95 4.270 4.270 4.348 -0.078 18134 330 1 . 1 1 95 95 ALA CA C 95 52.980 52.980 52.047 0.933 18134 331 1 . 1 1 95 95 ALA CB C 95 19.350 19.350 19.067 0.283 18134 332 1 . 1 1 95 95 ALA H H 95 8.290 8.290 8.029 0.261 18134 333 1 . 1 1 96 96 LEU N N 96 123.670 123.670 120.485 3.185 18134 334 1 . 1 1 96 96 LEU HA H 96 4.300 4.300 4.261 0.039 18134 335 1 . 1 1 96 96 LEU CA C 96 56.530 56.530 55.240 1.290 18134 336 1 . 1 1 96 96 LEU CB C 96 42.650 42.650 42.390 0.260 18134 337 1 . 1 1 96 96 LEU H H 96 8.240 8.240 8.187 0.053 18134 338 1 . 1 1 97 97 GLY N N 97 111.540 111.540 109.053 2.487 18134 339 1 . 1 1 97 97 GLY CA C 97 45.780 45.780 45.231 0.549 18134 340 1 . 1 1 97 97 GLY H H 97 8.400 8.400 8.218 0.182 18134 341 1 . 1 1 98 98 TYR N N 98 122.570 122.570 120.414 2.156 18134 342 1 . 1 1 98 98 TYR HA H 98 4.590 4.590 4.594 -0.004 18134 343 1 . 1 1 98 98 TYR CA C 98 58.340 58.340 57.728 0.612 18134 344 1 . 1 1 98 98 TYR CB C 98 39.150 39.150 39.434 -0.284 18134 345 1 . 1 1 98 98 TYR H H 98 8.060 8.060 8.117 -0.057 18134 346 1 . 1 1 99 99 ASP N N 99 124.880 124.880 121.049 3.831 18134 347 1 . 1 1 99 99 ASP HA H 99 4.560 4.560 4.662 -0.102 18134 348 1 . 1 1 99 99 ASP CA C 99 55.400 55.400 54.048 1.352 18134 349 1 . 1 1 99 99 ASP CB C 99 41.650 41.650 42.052 -0.402 18134 350 1 . 1 1 99 99 ASP H H 99 8.350 8.350 8.264 0.086 18134 351 1 . 1 1 100 100 GLY N N 100 110.340 110.340 109.443 0.897 18134 352 1 . 1 1 100 100 GLY CA C 100 45.610 45.610 44.947 0.663 18134 353 1 . 1 1 100 100 GLY H H 100 7.540 7.540 8.363 -0.823 18134 stop_ save_