data_19694 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19694 _Entry.PDB_ID 2MIU 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 19694 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR N N 2 113.570 113.570 116.279 -2.709 19694 2 1 1 . 1 1 2 2 THR HA H 2 4.240 4.240 4.199 0.041 19694 3 1 1 . 1 1 2 2 THR CA C 2 62.130 62.130 64.088 -1.958 19694 4 1 1 . 1 1 2 2 THR CB C 2 69.250 69.250 69.175 0.075 19694 5 1 1 . 1 1 2 2 THR H H 2 8.090 8.090 8.255 -0.165 19694 6 1 1 . 1 1 3 3 GLU N N 3 122.880 122.880 119.638 3.242 19694 7 1 1 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.504 -0.224 19694 8 1 1 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.417 1.443 19694 9 1 1 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.506 0.064 19694 10 1 1 . 1 1 3 3 GLU H H 3 8.280 8.280 7.978 0.302 19694 11 1 1 . 1 1 4 4 ARG N N 4 121.330 121.330 119.640 1.690 19694 12 1 1 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.591 -0.291 19694 13 1 1 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.243 0.627 19694 14 1 1 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.849 0.791 19694 15 1 1 . 1 1 4 4 ARG H H 4 8.280 8.280 8.594 -0.314 19694 16 1 1 . 1 1 5 5 PHE N N 5 125.490 125.490 124.984 0.506 19694 17 1 1 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.612 -0.002 19694 18 1 1 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.715 -0.334 19694 19 1 1 . 1 1 5 5 PHE CB C 5 39.560 39.560 40.019 -0.459 19694 20 1 1 . 1 1 5 5 PHE H H 5 8.290 8.290 8.716 -0.426 19694 21 1 1 . 1 1 6 6 ASP N N 6 123.260 123.260 121.272 1.988 19694 22 1 1 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.770 0.275 19694 23 1 1 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.195 -1.015 19694 24 1 1 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.320 -0.110 19694 25 1 1 . 1 1 6 6 ASP H H 6 7.940 7.940 7.608 0.332 19694 26 1 1 . 1 1 7 7 CYS N N 7 121.440 121.440 123.039 -1.599 19694 27 1 1 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.451 -0.491 19694 28 1 1 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.738 0.082 19694 29 1 1 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.132 4.818 19694 30 1 1 . 1 1 7 7 CYS H H 7 8.700 8.700 8.550 0.150 19694 31 1 1 . 1 1 8 8 HIS N N 8 129.390 129.390 129.379 0.011 19694 32 1 1 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.206 -0.006 19694 33 1 1 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.621 -1.381 19694 34 1 1 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.154 -0.674 19694 35 1 1 . 1 1 8 8 HIS H H 8 9.160 9.160 9.592 -0.432 19694 36 1 1 . 1 1 9 9 HIS N N 9 118.740 118.740 116.913 1.827 19694 37 1 1 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.487 0.393 19694 38 1 1 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.202 1.478 19694 39 1 1 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.008 1.032 19694 40 1 1 . 1 1 9 9 HIS H H 9 9.270 9.270 7.988 1.282 19694 41 1 1 . 1 1 10 10 CYS N N 10 118.600 118.600 116.977 1.623 19694 42 1 1 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.506 0.094 19694 43 1 1 . 1 1 10 10 CYS CA C 10 59.600 59.600 58.995 0.605 19694 44 1 1 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.052 4.278 19694 45 1 1 . 1 1 10 10 CYS H H 10 8.550 8.550 7.821 0.729 19694 46 1 1 . 1 1 11 11 ASN N N 11 116.220 116.220 118.452 -2.232 19694 47 1 1 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.353 0.057 19694 48 1 1 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.539 1.101 19694 49 1 1 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.833 0.367 19694 50 1 1 . 1 1 11 11 ASN H H 11 7.690 7.690 8.641 -0.951 19694 51 1 1 . 1 1 12 12 GLU N N 12 120.330 120.330 117.641 2.689 19694 52 1 1 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.517 -0.297 19694 53 1 1 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.151 1.549 19694 54 1 1 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.695 0.215 19694 55 1 1 . 1 1 12 12 GLU H H 12 8.210 8.210 7.648 0.562 19694 56 1 1 . 1 1 13 13 SER N N 13 116.190 116.190 120.253 -4.063 19694 57 1 1 . 1 1 13 13 SER HA H 13 4.060 4.060 4.319 -0.259 19694 58 1 1 . 1 1 13 13 SER CA C 13 59.350 59.350 58.398 0.952 19694 59 1 1 . 1 1 13 13 SER CB C 13 63.820 63.820 63.596 0.224 19694 60 1 1 . 1 1 13 13 SER H H 13 8.520 8.520 8.692 -0.172 19694 61 1 1 . 1 1 14 14 LEU N N 14 126.060 126.060 126.448 -0.388 19694 62 1 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.351 -0.041 19694 63 1 1 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.911 -1.811 19694 64 1 1 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.658 0.542 19694 65 1 1 . 1 1 14 14 LEU H H 14 8.910 8.910 7.792 1.118 19694 66 1 1 . 1 1 15 15 PHE N N 15 120.660 120.660 121.379 -0.719 19694 67 1 1 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.583 -0.103 19694 68 1 1 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.216 4.184 19694 69 1 1 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.555 0.575 19694 70 1 1 . 1 1 15 15 PHE H H 15 7.820 7.820 8.619 -0.799 19694 71 1 1 . 1 1 16 16 GLY N N 16 114.730 114.730 110.681 4.049 19694 72 1 1 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.858 0.042 19694 73 1 1 . 1 1 16 16 GLY H H 16 8.860 8.860 8.534 0.326 19694 74 1 1 . 1 1 17 17 LYS N N 17 119.580 119.580 119.760 -0.180 19694 75 1 1 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.467 0.013 19694 76 1 1 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.609 -0.150 19694 77 1 1 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.961 1.839 19694 78 1 1 . 1 1 17 17 LYS H H 17 8.030 8.030 7.254 0.776 19694 79 1 1 . 1 1 18 18 LYS N N 18 120.330 120.330 121.978 -1.648 19694 80 1 1 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.329 -0.049 19694 81 1 1 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.661 -0.861 19694 82 1 1 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.863 0.147 19694 83 1 1 . 1 1 18 18 LYS H H 18 8.190 8.190 8.511 -0.321 19694 84 1 1 . 1 1 19 19 TYR N N 19 117.500 117.500 114.245 3.255 19694 85 1 1 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.769 0.471 19694 86 1 1 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.416 -1.076 19694 87 1 1 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.390 2.460 19694 88 1 1 . 1 1 19 19 TYR H H 19 7.610 7.610 7.816 -0.206 19694 89 1 1 . 1 1 20 20 ILE N N 20 121.430 121.430 121.978 -0.548 19694 90 1 1 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.250 -0.113 19694 91 1 1 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.116 -0.106 19694 92 1 1 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.587 0.983 19694 93 1 1 . 1 1 20 20 ILE H H 20 9.350 9.350 8.229 1.121 19694 94 1 1 . 1 1 21 21 LEU N N 21 126.720 126.720 127.143 -0.423 19694 95 1 1 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.532 0.558 19694 96 1 1 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.278 -0.258 19694 97 1 1 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.436 3.284 19694 98 1 1 . 1 1 21 21 LEU H H 21 8.530 8.530 8.531 -0.001 19694 99 1 1 . 1 1 22 22 ARG N N 22 123.930 123.930 125.157 -1.227 19694 100 1 1 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.427 0.013 19694 101 1 1 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.871 1.729 19694 102 1 1 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.035 0.245 19694 103 1 1 . 1 1 22 22 ARG H H 22 9.080 9.080 9.012 0.068 19694 104 1 1 . 1 1 23 23 GLU N N 23 128.500 128.500 124.710 3.790 19694 105 1 1 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.886 -0.046 19694 106 1 1 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.420 0.610 19694 107 1 1 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.706 -0.506 19694 108 1 1 . 1 1 23 23 GLU H H 23 9.610 9.610 8.962 0.648 19694 109 1 1 . 1 1 24 24 GLU N N 24 110.300 110.300 112.424 -2.124 19694 110 1 1 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.901 -0.121 19694 111 1 1 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.442 0.878 19694 112 1 1 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.194 0.026 19694 113 1 1 . 1 1 24 24 GLU H H 24 8.660 8.660 8.569 0.091 19694 114 1 1 . 1 1 25 25 SER N N 25 117.700 117.700 113.445 4.255 19694 115 1 1 . 1 1 25 25 SER HA H 25 4.890 4.890 4.879 0.011 19694 116 1 1 . 1 1 25 25 SER CA C 25 56.540 56.540 55.159 1.381 19694 117 1 1 . 1 1 25 25 SER CB C 25 64.720 64.720 65.067 -0.347 19694 118 1 1 . 1 1 25 25 SER H H 25 7.900 7.900 7.826 0.074 19694 119 1 1 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.848 0.147 19694 120 1 1 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.090 -1.340 19694 121 1 1 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.863 0.797 19694 122 1 1 . 1 1 27 27 TYR N N 27 118.100 118.100 123.686 -5.586 19694 123 1 1 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.975 0.935 19694 124 1 1 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.265 1.565 19694 125 1 1 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.677 0.133 19694 126 1 1 . 1 1 27 27 TYR H H 27 9.040 9.040 8.945 0.095 19694 127 1 1 . 1 1 28 28 CYS N N 28 122.230 122.230 119.511 2.719 19694 128 1 1 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.688 0.162 19694 129 1 1 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.380 -0.270 19694 130 1 1 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.193 1.337 19694 131 1 1 . 1 1 28 28 CYS H H 28 9.850 9.850 8.359 1.491 19694 132 1 1 . 1 1 29 29 VAL N N 29 118.200 118.200 122.746 -4.546 19694 133 1 1 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.693 -0.043 19694 134 1 1 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.647 0.753 19694 135 1 1 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.053 0.807 19694 136 1 1 . 1 1 29 29 VAL H H 29 8.430 8.430 9.044 -0.614 19694 137 1 1 . 1 1 30 30 VAL N N 30 119.570 119.570 118.862 0.708 19694 138 1 1 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.543 0.317 19694 139 1 1 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.302 0.148 19694 140 1 1 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.123 0.417 19694 141 1 1 . 1 1 30 30 VAL H H 30 7.700 7.700 8.244 -0.544 19694 142 1 1 . 1 1 31 31 CYS N N 31 125.890 125.890 119.183 6.707 19694 143 1 1 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.907 -0.077 19694 144 1 1 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.231 1.619 19694 145 1 1 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.501 4.009 19694 146 1 1 . 1 1 31 31 CYS H H 31 9.050 9.050 7.638 1.412 19694 147 1 1 . 1 1 32 32 PHE N N 32 119.000 119.000 119.273 -0.273 19694 148 1 1 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.709 0.071 19694 149 1 1 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.871 0.739 19694 150 1 1 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.055 0.865 19694 151 1 1 . 1 1 32 32 PHE H H 32 9.080 9.080 7.895 1.185 19694 152 1 1 . 1 1 33 33 GLU N N 33 117.470 117.470 118.334 -0.864 19694 153 1 1 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.015 -0.255 19694 154 1 1 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.418 -0.208 19694 155 1 1 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.437 0.043 19694 156 1 1 . 1 1 33 33 GLU H H 33 8.510 8.510 8.067 0.443 19694 157 1 1 . 1 1 34 34 THR N N 34 114.140 114.140 115.295 -1.155 19694 158 1 1 . 1 1 34 34 THR HA H 34 3.730 3.730 3.909 -0.179 19694 159 1 1 . 1 1 34 34 THR CA C 34 65.890 65.890 66.033 -0.143 19694 160 1 1 . 1 1 34 34 THR CB C 34 69.210 69.210 68.773 0.437 19694 161 1 1 . 1 1 34 34 THR H H 34 7.880 7.880 8.195 -0.315 19694 162 1 1 . 1 1 35 35 LEU N N 35 117.980 117.980 118.936 -0.956 19694 163 1 1 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.973 -0.323 19694 164 1 1 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.214 -0.354 19694 165 1 1 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.829 0.041 19694 166 1 1 . 1 1 35 35 LEU H H 35 7.660 7.660 7.742 -0.082 19694 167 1 1 . 1 1 36 36 PHE N N 36 113.900 113.900 113.117 0.783 19694 168 1 1 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.516 0.081 19694 169 1 1 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.122 0.738 19694 170 1 1 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.394 2.176 19694 171 1 1 . 1 1 36 36 PHE H H 36 7.730 7.730 6.697 1.033 19694 172 1 1 . 1 1 37 37 ALA N N 37 121.920 121.920 123.098 -1.178 19694 173 1 1 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.101 -0.031 19694 174 1 1 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.163 0.737 19694 175 1 1 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.620 0.150 19694 176 1 1 . 1 1 37 37 ALA H H 37 7.090 7.090 7.920 -0.830 19694 177 1 1 . 1 1 38 38 ASN N N 38 119.230 119.230 120.230 -1.000 19694 178 1 1 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.640 -0.190 19694 179 1 1 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.547 0.303 19694 180 1 1 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.415 -1.465 19694 181 1 1 . 1 1 38 38 ASN H H 38 8.790 8.790 8.265 0.525 19694 182 1 1 . 1 1 39 39 THR N N 39 116.330 116.330 115.645 0.685 19694 183 1 1 . 1 1 39 39 THR HA H 39 3.990 3.990 4.275 -0.285 19694 184 1 1 . 1 1 39 39 THR CA C 39 62.130 62.130 62.450 -0.320 19694 185 1 1 . 1 1 39 39 THR CB C 39 69.920 69.920 69.864 0.056 19694 186 1 1 . 1 1 39 39 THR H H 39 8.540 8.540 8.197 0.343 19694 187 1 1 . 1 1 40 40 CYS N N 40 126.950 126.950 127.802 -0.852 19694 188 1 1 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.485 -0.185 19694 189 1 1 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.070 1.280 19694 190 1 1 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.717 4.883 19694 191 1 1 . 1 1 40 40 CYS H H 40 7.940 7.940 8.548 -0.608 19694 192 1 1 . 1 1 41 41 GLU N N 41 130.560 130.560 127.572 2.988 19694 193 1 1 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.845 -0.155 19694 194 1 1 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.121 -0.521 19694 195 1 1 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.428 1.032 19694 196 1 1 . 1 1 41 41 GLU H H 41 8.810 8.810 8.692 0.118 19694 197 1 1 . 1 1 42 42 GLU N N 42 119.680 119.680 118.092 1.588 19694 198 1 1 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.333 0.237 19694 199 1 1 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.149 -0.149 19694 200 1 1 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.634 1.046 19694 201 1 1 . 1 1 42 42 GLU H H 42 8.500 8.500 8.145 0.355 19694 202 1 1 . 1 1 43 43 CYS N N 43 115.600 115.600 116.245 -0.645 19694 203 1 1 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.647 0.363 19694 204 1 1 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.048 -1.238 19694 205 1 1 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.589 1.991 19694 206 1 1 . 1 1 43 43 CYS H H 43 8.120 8.120 7.957 0.163 19694 207 1 1 . 1 1 44 44 GLY N N 44 112.100 112.100 107.758 4.342 19694 208 1 1 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.203 1.217 19694 209 1 1 . 1 1 44 44 GLY H H 44 7.900 7.900 8.616 -0.716 19694 210 1 1 . 1 1 45 45 LYS N N 45 121.210 121.210 121.642 -0.432 19694 211 1 1 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.685 0.155 19694 212 1 1 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.802 1.558 19694 213 1 1 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.807 -0.377 19694 214 1 1 . 1 1 45 45 LYS H H 45 8.180 8.180 7.855 0.325 19694 215 1 1 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.531 -0.054 19694 216 1 1 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.037 -0.337 19694 217 1 1 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.041 0.449 19694 218 1 1 . 1 1 47 47 ILE N N 47 125.280 125.280 123.117 2.163 19694 219 1 1 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.324 -0.494 19694 220 1 1 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.791 0.249 19694 221 1 1 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.790 -0.350 19694 222 1 1 . 1 1 47 47 ILE H H 47 8.540 8.540 8.898 -0.358 19694 223 1 1 . 1 1 48 48 GLY N N 48 114.120 114.120 113.595 0.525 19694 224 1 1 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.599 0.641 19694 225 1 1 . 1 1 48 48 GLY H H 48 8.660 8.660 8.594 0.066 19694 226 1 1 . 1 1 49 49 CYS N N 49 117.140 117.140 120.303 -3.163 19694 227 1 1 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.302 -0.022 19694 228 1 1 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.182 0.698 19694 229 1 1 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.325 0.325 19694 230 1 1 . 1 1 49 49 CYS H H 49 9.210 9.210 8.856 0.354 19694 231 1 1 . 1 1 50 50 ASP N N 50 119.300 119.300 120.997 -1.697 19694 232 1 1 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.652 -0.032 19694 233 1 1 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.267 -1.107 19694 234 1 1 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.522 -0.142 19694 235 1 1 . 1 1 50 50 ASP H H 50 8.800 8.800 8.505 0.295 19694 236 1 1 . 1 1 51 51 CYS N N 51 118.150 118.150 116.972 1.178 19694 237 1 1 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.678 -0.058 19694 238 1 1 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.154 0.876 19694 239 1 1 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.542 -1.452 19694 240 1 1 . 1 1 51 51 CYS H H 51 7.590 7.590 7.405 0.185 19694 241 1 1 . 1 1 52 52 LYS N N 52 123.800 123.800 122.829 0.971 19694 242 1 1 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.388 -0.208 19694 243 1 1 . 1 1 52 52 LYS CA C 52 57.240 57.240 55.789 1.450 19694 244 1 1 . 1 1 52 52 LYS CB C 52 33.030 33.030 30.782 2.248 19694 245 1 1 . 1 1 52 52 LYS H H 52 8.600 8.600 8.562 0.038 19694 246 1 1 . 1 1 53 53 ASP N N 53 124.900 124.900 123.728 1.172 19694 247 1 1 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.727 -0.497 19694 248 1 1 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.028 0.102 19694 249 1 1 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.510 1.720 19694 250 1 1 . 1 1 53 53 ASP H H 53 8.250 8.250 8.324 -0.074 19694 251 1 1 . 1 1 54 54 LEU N N 54 130.160 130.160 125.065 5.095 19694 252 1 1 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.569 -0.129 19694 253 1 1 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.450 -2.110 19694 254 1 1 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.111 -1.940 19694 255 1 1 . 1 1 54 54 LEU H H 54 8.670 8.670 9.019 -0.349 19694 256 1 1 . 1 1 55 55 SER N N 55 113.820 113.820 121.370 -7.550 19694 257 1 1 . 1 1 55 55 SER HA H 55 5.580 5.580 4.942 0.638 19694 258 1 1 . 1 1 55 55 SER CA C 55 55.850 55.850 56.392 -0.542 19694 259 1 1 . 1 1 55 55 SER CB C 55 67.300 67.300 64.240 3.061 19694 260 1 1 . 1 1 55 55 SER H H 55 8.160 8.160 8.451 -0.291 19694 261 1 1 . 1 1 56 56 TYR N N 56 122.610 122.610 126.381 -3.771 19694 262 1 1 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.612 0.008 19694 263 1 1 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.760 0.050 19694 264 1 1 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.856 -0.856 19694 265 1 1 . 1 1 56 56 TYR H H 56 8.450 8.450 8.643 -0.193 19694 266 1 1 . 1 1 57 57 LYS N N 57 126.020 126.020 129.380 -3.360 19694 267 1 1 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.906 -0.436 19694 268 1 1 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.294 0.806 19694 269 1 1 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.045 -2.565 19694 270 1 1 . 1 1 57 57 LYS H H 57 8.920 8.920 8.704 0.216 19694 271 1 1 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.225 -0.395 19694 272 1 1 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.386 -0.486 19694 273 1 1 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.884 -0.804 19694 274 1 1 . 1 1 58 58 ASP H H 58 8.400 8.400 8.585 -0.185 19694 275 1 1 . 1 1 59 59 ARG N N 59 121.190 121.190 115.903 5.287 19694 276 1 1 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.640 -0.390 19694 277 1 1 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.277 1.303 19694 278 1 1 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.551 -0.091 19694 279 1 1 . 1 1 59 59 ARG H H 59 7.980 7.980 7.265 0.715 19694 280 1 1 . 1 1 60 60 HIS N N 60 118.420 118.420 117.580 0.840 19694 281 1 1 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.657 -0.387 19694 282 1 1 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.202 -0.192 19694 283 1 1 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.482 -1.102 19694 284 1 1 . 1 1 60 60 HIS H H 60 8.350 8.350 8.154 0.196 19694 285 1 1 . 1 1 61 61 TRP N N 61 119.990 119.990 118.185 1.805 19694 286 1 1 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.802 1.128 19694 287 1 1 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.150 0.251 19694 288 1 1 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.193 1.187 19694 289 1 1 . 1 1 61 61 TRP H H 61 9.310 9.310 9.262 0.048 19694 290 1 1 . 1 1 62 62 HIS N N 62 117.270 117.270 122.053 -4.783 19694 291 1 1 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.852 -0.252 19694 292 1 1 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.676 1.534 19694 293 1 1 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.550 0.649 19694 294 1 1 . 1 1 62 62 HIS H H 62 8.430 8.430 9.133 -0.703 19694 295 1 1 . 1 1 63 63 GLU N N 63 124.640 124.640 128.595 -3.955 19694 296 1 1 . 1 1 63 63 GLU HA H 63 3.827 3.827 4.028 -0.201 19694 297 1 1 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.211 1.809 19694 298 1 1 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.823 0.486 19694 299 1 1 . 1 1 63 63 GLU H H 63 9.040 9.040 8.215 0.825 19694 300 1 1 . 1 1 64 64 ALA N N 64 117.050 117.050 118.093 -1.043 19694 301 1 1 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.398 -0.168 19694 302 1 1 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.139 0.861 19694 303 1 1 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.993 -0.113 19694 304 1 1 . 1 1 64 64 ALA H H 64 8.680 8.680 8.328 0.352 19694 305 1 1 . 1 1 65 65 CYS N N 65 115.380 115.380 117.274 -1.894 19694 306 1 1 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.692 -0.397 19694 307 1 1 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.747 -0.897 19694 308 1 1 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.605 5.235 19694 309 1 1 . 1 1 65 65 CYS H H 65 7.490 7.490 8.269 -0.779 19694 310 1 1 . 1 1 66 66 PHE N N 66 122.020 122.020 122.996 -0.976 19694 311 1 1 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.906 -0.016 19694 312 1 1 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.669 -1.659 19694 313 1 1 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.083 -0.013 19694 314 1 1 . 1 1 66 66 PHE H H 66 7.110 7.110 7.769 -0.659 19694 315 1 1 . 1 1 67 67 HIS N N 67 121.280 121.280 120.952 0.328 19694 316 1 1 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.286 -0.566 19694 317 1 1 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.820 -1.090 19694 318 1 1 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.991 0.239 19694 319 1 1 . 1 1 67 67 HIS H H 67 7.380 7.380 7.115 0.265 19694 320 1 1 . 1 1 68 68 CYS N N 68 121.590 121.590 119.445 2.145 19694 321 1 1 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.808 -0.848 19694 322 1 1 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.087 1.703 19694 323 1 1 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.585 1.615 19694 324 1 1 . 1 1 68 68 CYS H H 68 8.530 8.530 8.600 -0.070 19694 325 1 1 . 1 1 69 69 SER N N 69 126.530 126.530 120.034 6.496 19694 326 1 1 . 1 1 69 69 SER HA H 69 4.310 4.310 4.419 -0.109 19694 327 1 1 . 1 1 69 69 SER CA C 69 61.760 61.760 60.597 1.163 19694 328 1 1 . 1 1 69 69 SER CB C 69 64.040 64.040 63.398 0.642 19694 329 1 1 . 1 1 69 69 SER H H 69 9.460 9.460 8.672 0.788 19694 330 1 1 . 1 1 70 70 GLN N N 70 122.370 122.370 118.509 3.861 19694 331 1 1 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.547 -0.037 19694 332 1 1 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.520 0.320 19694 333 1 1 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.710 0.720 19694 334 1 1 . 1 1 70 70 GLN H H 70 8.980 8.980 7.975 1.005 19694 335 1 1 . 1 1 71 71 CYS N N 71 118.860 118.860 115.460 3.400 19694 336 1 1 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.652 0.068 19694 337 1 1 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.427 1.343 19694 338 1 1 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.447 4.463 19694 339 1 1 . 1 1 71 71 CYS H H 71 8.220 8.220 7.757 0.463 19694 340 1 1 . 1 1 72 72 ARG N N 72 114.380 114.380 115.739 -1.359 19694 341 1 1 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.984 -0.019 19694 342 1 1 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.274 0.756 19694 343 1 1 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.016 0.704 19694 344 1 1 . 1 1 72 72 ARG H H 72 7.380 7.380 7.883 -0.503 19694 345 1 1 . 1 1 73 73 ASN N N 73 121.480 121.480 116.431 5.049 19694 346 1 1 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.657 -0.027 19694 347 1 1 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.925 0.185 19694 348 1 1 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.706 -0.836 19694 349 1 1 . 1 1 73 73 ASN H H 73 8.722 8.722 8.177 0.545 19694 350 1 1 . 1 1 74 74 SER N N 74 114.710 114.710 117.521 -2.811 19694 351 1 1 . 1 1 74 74 SER HA H 74 4.060 4.060 4.870 -0.810 19694 352 1 1 . 1 1 74 74 SER CA C 74 59.357 59.357 58.288 1.069 19694 353 1 1 . 1 1 74 74 SER CB C 74 63.300 63.300 62.970 0.330 19694 354 1 1 . 1 1 74 74 SER H H 74 8.690 8.690 8.501 0.189 19694 355 1 1 . 1 1 75 75 LEU N N 75 125.757 125.757 127.073 -1.316 19694 356 1 1 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.282 -0.002 19694 357 1 1 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.833 -1.323 19694 358 1 1 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.693 0.507 19694 359 1 1 . 1 1 75 75 LEU H H 75 7.970 7.970 8.030 -0.061 19694 360 1 1 . 1 1 76 76 VAL N N 76 120.860 120.860 124.975 -4.115 19694 361 1 1 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.865 -0.295 19694 362 1 1 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.881 4.539 19694 363 1 1 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.741 -3.201 19694 364 1 1 . 1 1 76 76 VAL H H 76 7.830 7.830 8.011 -0.181 19694 365 1 1 . 1 1 77 77 ASP N N 77 122.360 122.360 122.288 0.072 19694 366 1 1 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.451 -0.221 19694 367 1 1 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.849 0.351 19694 368 1 1 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.863 -1.483 19694 369 1 1 . 1 1 77 77 ASP H H 77 8.910 8.910 8.592 0.318 19694 370 1 1 . 1 1 78 78 LYS N N 78 118.100 118.100 118.429 -0.329 19694 371 1 1 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.638 0.232 19694 372 1 1 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.672 3.288 19694 373 1 1 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.744 0.936 19694 374 1 1 . 1 1 78 78 LYS H H 78 7.660 7.660 7.620 0.040 19694 375 1 1 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.209 0.251 19694 376 1 1 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.932 -0.412 19694 377 1 1 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.860 0.299 19694 378 1 1 . 1 1 80 80 PHE N N 80 114.050 114.050 117.112 -3.062 19694 379 1 1 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.051 -0.141 19694 380 1 1 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.130 0.930 19694 381 1 1 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.900 0.510 19694 382 1 1 . 1 1 80 80 PHE H H 80 7.510 7.510 7.216 0.294 19694 383 1 1 . 1 1 81 81 ALA N N 81 123.290 123.290 123.719 -0.429 19694 384 1 1 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.338 -0.028 19694 385 1 1 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.358 0.093 19694 386 1 1 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.962 2.958 19694 387 1 1 . 1 1 81 81 ALA H H 81 9.030 9.030 8.945 0.085 19694 388 1 1 . 1 1 82 82 ALA N N 82 122.490 122.490 129.146 -6.656 19694 389 1 1 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.364 0.746 19694 390 1 1 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.669 -0.569 19694 391 1 1 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.817 2.313 19694 392 1 1 . 1 1 82 82 ALA H H 82 8.240 8.240 8.617 -0.377 19694 393 1 1 . 1 1 83 83 LYS N N 83 123.580 123.580 125.935 -2.355 19694 394 1 1 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.526 -0.036 19694 395 1 1 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.365 0.435 19694 396 1 1 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.110 0.610 19694 397 1 1 . 1 1 83 83 LYS H H 83 8.400 8.400 8.247 0.153 19694 398 1 1 . 1 1 84 84 GLU N N 84 125.470 125.470 120.349 5.121 19694 399 1 1 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.115 -0.295 19694 400 1 1 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.981 -0.361 19694 401 1 1 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.719 -2.509 19694 402 1 1 . 1 1 84 84 GLU H H 84 9.320 9.320 8.792 0.528 19694 403 1 1 . 1 1 85 85 ASP N N 85 118.550 118.550 114.440 4.110 19694 404 1 1 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.771 -0.171 19694 405 1 1 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.841 1.559 19694 406 1 1 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.128 -1.728 19694 407 1 1 . 1 1 85 85 ASP H H 85 8.730 8.730 8.365 0.365 19694 408 1 1 . 1 1 86 86 GLN N N 86 119.050 119.050 117.294 1.756 19694 409 1 1 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.637 -0.097 19694 410 1 1 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.003 1.097 19694 411 1 1 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.041 -0.931 19694 412 1 1 . 1 1 86 86 GLN H H 86 8.170 8.170 7.562 0.608 19694 413 1 1 . 1 1 87 87 LEU N N 87 123.110 123.110 121.259 1.851 19694 414 1 1 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.133 -0.513 19694 415 1 1 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.952 0.568 19694 416 1 1 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.468 -1.768 19694 417 1 1 . 1 1 87 87 LEU H H 87 8.490 8.490 8.445 0.045 19694 418 1 1 . 1 1 88 88 LEU N N 88 123.690 123.690 120.161 3.529 19694 419 1 1 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.963 0.917 19694 420 1 1 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.788 0.552 19694 421 1 1 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.788 -0.598 19694 422 1 1 . 1 1 88 88 LEU H H 88 8.930 8.930 8.336 0.594 19694 423 1 1 . 1 1 89 89 CYS N N 89 122.270 122.270 118.521 3.749 19694 424 1 1 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.774 0.006 19694 425 1 1 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.039 -1.399 19694 426 1 1 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.691 3.249 19694 427 1 1 . 1 1 89 89 CYS H H 89 9.430 9.430 9.099 0.331 19694 428 1 1 . 1 1 90 90 THR N N 90 110.620 110.620 116.537 -5.917 19694 429 1 1 . 1 1 90 90 THR HA H 90 3.900 3.900 4.009 -0.109 19694 430 1 1 . 1 1 90 90 THR CA C 90 65.460 65.460 65.923 -0.463 19694 431 1 1 . 1 1 90 90 THR CB C 90 68.670 68.670 69.070 -0.400 19694 432 1 1 . 1 1 90 90 THR H H 90 8.410 8.410 9.031 -0.621 19694 433 1 1 . 1 1 91 91 ASP N N 91 123.470 123.470 121.337 2.133 19694 434 1 1 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.674 -0.184 19694 435 1 1 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.541 0.269 19694 436 1 1 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.654 0.506 19694 437 1 1 . 1 1 91 91 ASP H H 91 8.150 8.150 8.356 -0.206 19694 438 1 1 . 1 1 92 92 CYS N N 92 123.800 123.800 119.642 4.158 19694 439 1 1 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.406 -0.436 19694 440 1 1 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.335 2.765 19694 441 1 1 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.207 3.883 19694 442 1 1 . 1 1 92 92 CYS H H 92 8.580 8.580 7.839 0.741 19694 443 1 1 . 1 1 93 93 TYR N N 93 120.730 120.730 120.946 -0.216 19694 444 1 1 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.078 0.062 19694 445 1 1 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.940 -1.560 19694 446 1 1 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.418 0.882 19694 447 1 1 . 1 1 93 93 TYR H H 93 8.540 8.540 9.170 -0.630 19694 448 1 1 . 1 1 94 94 SER N N 94 115.010 115.010 112.584 2.426 19694 449 1 1 . 1 1 94 94 SER HA H 94 4.220 4.220 4.284 -0.064 19694 450 1 1 . 1 1 94 94 SER CA C 94 59.300 59.300 61.233 -1.933 19694 451 1 1 . 1 1 94 94 SER CB C 94 63.660 63.660 62.488 1.172 19694 452 1 1 . 1 1 94 94 SER H H 94 7.750 7.750 8.121 -0.371 19694 453 1 1 . 1 1 95 95 ASN N N 95 119.820 119.820 118.705 1.115 19694 454 1 1 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.588 -0.078 19694 455 1 1 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.518 -1.638 19694 456 1 1 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.955 0.345 19694 457 1 1 . 1 1 95 95 ASN H H 95 7.780 7.780 7.997 -0.217 19694 458 1 1 . 1 1 96 96 GLU N N 96 119.820 119.820 117.303 2.517 19694 459 1 1 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.167 -0.071 19694 460 1 1 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.839 0.071 19694 461 1 1 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.644 0.576 19694 462 1 1 . 1 1 96 96 GLU H H 96 7.950 7.950 7.748 0.202 19694 463 1 1 . 1 1 97 97 TYR N N 97 120.370 120.370 121.583 -1.213 19694 464 1 1 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.954 0.666 19694 465 1 1 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.224 -2.524 19694 466 1 1 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.339 0.371 19694 467 1 1 . 1 1 97 97 TYR H H 97 8.070 8.070 8.511 -0.441 19694 468 1 2 . 1 1 2 2 THR N N 2 113.570 113.570 114.879 -1.309 19694 469 1 2 . 1 1 2 2 THR HA H 2 4.240 4.240 4.390 -0.150 19694 470 1 2 . 1 1 2 2 THR CA C 2 62.130 62.130 62.405 -0.275 19694 471 1 2 . 1 1 2 2 THR CB C 2 69.250 69.250 68.860 0.390 19694 472 1 2 . 1 1 2 2 THR H H 2 8.090 8.090 8.196 -0.106 19694 473 1 2 . 1 1 3 3 GLU N N 3 122.880 122.880 121.270 1.610 19694 474 1 2 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.334 -0.054 19694 475 1 2 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.075 0.785 19694 476 1 2 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.469 0.101 19694 477 1 2 . 1 1 3 3 GLU H H 3 8.280 8.280 8.344 -0.064 19694 478 1 2 . 1 1 4 4 ARG N N 4 121.330 121.330 119.629 1.701 19694 479 1 2 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.549 -0.249 19694 480 1 2 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.379 0.491 19694 481 1 2 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.680 0.960 19694 482 1 2 . 1 1 4 4 ARG H H 4 8.280 8.280 8.554 -0.274 19694 483 1 2 . 1 1 5 5 PHE N N 5 125.490 125.490 124.942 0.548 19694 484 1 2 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.582 0.028 19694 485 1 2 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.678 -0.298 19694 486 1 2 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.761 -0.201 19694 487 1 2 . 1 1 5 5 PHE H H 5 8.290 8.290 8.720 -0.430 19694 488 1 2 . 1 1 6 6 ASP N N 6 123.260 123.260 121.527 1.733 19694 489 1 2 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.759 0.286 19694 490 1 2 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.067 -0.887 19694 491 1 2 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.760 -0.550 19694 492 1 2 . 1 1 6 6 ASP H H 6 7.940 7.940 7.577 0.363 19694 493 1 2 . 1 1 7 7 CYS N N 7 121.440 121.440 122.460 -1.020 19694 494 1 2 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.412 -0.452 19694 495 1 2 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.423 0.397 19694 496 1 2 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.292 4.658 19694 497 1 2 . 1 1 7 7 CYS H H 7 8.700 8.700 8.664 0.036 19694 498 1 2 . 1 1 8 8 HIS N N 8 129.390 129.390 129.987 -0.597 19694 499 1 2 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.229 -0.029 19694 500 1 2 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.786 -1.546 19694 501 1 2 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.077 -0.597 19694 502 1 2 . 1 1 8 8 HIS H H 8 9.160 9.160 9.631 -0.471 19694 503 1 2 . 1 1 9 9 HIS N N 9 118.740 118.740 117.593 1.147 19694 504 1 2 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.489 0.391 19694 505 1 2 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.172 1.508 19694 506 1 2 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.203 0.837 19694 507 1 2 . 1 1 9 9 HIS H H 9 9.270 9.270 7.985 1.285 19694 508 1 2 . 1 1 10 10 CYS N N 10 118.600 118.600 117.424 1.176 19694 509 1 2 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.394 0.206 19694 510 1 2 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.214 0.386 19694 511 1 2 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.889 4.441 19694 512 1 2 . 1 1 10 10 CYS H H 10 8.550 8.550 7.854 0.696 19694 513 1 2 . 1 1 11 11 ASN N N 11 116.220 116.220 117.064 -0.844 19694 514 1 2 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.346 0.064 19694 515 1 2 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.459 1.181 19694 516 1 2 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.464 1.736 19694 517 1 2 . 1 1 11 11 ASN H H 11 7.690 7.690 8.668 -0.978 19694 518 1 2 . 1 1 12 12 GLU N N 12 120.330 120.330 117.931 2.399 19694 519 1 2 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.505 -0.285 19694 520 1 2 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.981 1.719 19694 521 1 2 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.058 -0.148 19694 522 1 2 . 1 1 12 12 GLU H H 12 8.210 8.210 7.666 0.544 19694 523 1 2 . 1 1 13 13 SER N N 13 116.190 116.190 119.586 -3.396 19694 524 1 2 . 1 1 13 13 SER HA H 13 4.060 4.060 4.525 -0.465 19694 525 1 2 . 1 1 13 13 SER CA C 13 59.350 59.350 59.241 0.109 19694 526 1 2 . 1 1 13 13 SER CB C 13 63.820 63.820 63.426 0.394 19694 527 1 2 . 1 1 13 13 SER H H 13 8.520 8.520 8.660 -0.140 19694 528 1 2 . 1 1 14 14 LEU N N 14 126.060 126.060 124.884 1.176 19694 529 1 2 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.327 -0.017 19694 530 1 2 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.573 -1.473 19694 531 1 2 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.694 0.506 19694 532 1 2 . 1 1 14 14 LEU H H 14 8.910 8.910 7.767 1.143 19694 533 1 2 . 1 1 15 15 PHE N N 15 120.660 120.660 121.011 -0.351 19694 534 1 2 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.604 -0.124 19694 535 1 2 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.417 3.983 19694 536 1 2 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.882 0.248 19694 537 1 2 . 1 1 15 15 PHE H H 15 7.820 7.820 8.501 -0.681 19694 538 1 2 . 1 1 16 16 GLY N N 16 114.730 114.730 110.959 3.771 19694 539 1 2 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.799 0.101 19694 540 1 2 . 1 1 16 16 GLY H H 16 8.860 8.860 8.814 0.046 19694 541 1 2 . 1 1 17 17 LYS N N 17 119.580 119.580 120.206 -0.626 19694 542 1 2 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.522 -0.042 19694 543 1 2 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.454 0.006 19694 544 1 2 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.323 1.477 19694 545 1 2 . 1 1 17 17 LYS H H 17 8.030 8.030 7.236 0.794 19694 546 1 2 . 1 1 18 18 LYS N N 18 120.330 120.330 122.288 -1.958 19694 547 1 2 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.311 -0.031 19694 548 1 2 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.487 -0.687 19694 549 1 2 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.797 0.213 19694 550 1 2 . 1 1 18 18 LYS H H 18 8.190 8.190 8.463 -0.273 19694 551 1 2 . 1 1 19 19 TYR N N 19 117.500 117.500 115.366 2.134 19694 552 1 2 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.825 0.415 19694 553 1 2 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.309 -0.970 19694 554 1 2 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.261 2.589 19694 555 1 2 . 1 1 19 19 TYR H H 19 7.610 7.610 7.874 -0.264 19694 556 1 2 . 1 1 20 20 ILE N N 20 121.430 121.430 121.934 -0.504 19694 557 1 2 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.215 -0.078 19694 558 1 2 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.053 -0.043 19694 559 1 2 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.547 1.023 19694 560 1 2 . 1 1 20 20 ILE H H 20 9.350 9.350 8.276 1.074 19694 561 1 2 . 1 1 21 21 LEU N N 21 126.720 126.720 126.816 -0.096 19694 562 1 2 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.511 0.579 19694 563 1 2 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.311 -0.291 19694 564 1 2 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.563 3.157 19694 565 1 2 . 1 1 21 21 LEU H H 21 8.530 8.530 8.498 0.032 19694 566 1 2 . 1 1 22 22 ARG N N 22 123.930 123.930 125.772 -1.842 19694 567 1 2 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.542 -0.102 19694 568 1 2 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.704 1.896 19694 569 1 2 . 1 1 22 22 ARG CB C 22 32.280 32.280 31.907 0.373 19694 570 1 2 . 1 1 22 22 ARG H H 22 9.080 9.080 9.118 -0.038 19694 571 1 2 . 1 1 23 23 GLU N N 23 128.500 128.500 125.041 3.459 19694 572 1 2 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.908 -0.068 19694 573 1 2 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.632 0.398 19694 574 1 2 . 1 1 23 23 GLU CB C 23 27.200 27.200 28.217 -1.017 19694 575 1 2 . 1 1 23 23 GLU H H 23 9.610 9.610 9.092 0.518 19694 576 1 2 . 1 1 24 24 GLU N N 24 110.300 110.300 113.309 -3.009 19694 577 1 2 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.979 -0.199 19694 578 1 2 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.369 0.951 19694 579 1 2 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.759 0.461 19694 580 1 2 . 1 1 24 24 GLU H H 24 8.660 8.660 8.716 -0.056 19694 581 1 2 . 1 1 25 25 SER N N 25 117.700 117.700 112.937 4.763 19694 582 1 2 . 1 1 25 25 SER HA H 25 4.890 4.890 4.765 0.125 19694 583 1 2 . 1 1 25 25 SER CA C 25 56.540 56.540 55.484 1.056 19694 584 1 2 . 1 1 25 25 SER CB C 25 64.720 64.720 65.406 -0.686 19694 585 1 2 . 1 1 25 25 SER H H 25 7.900 7.900 7.812 0.088 19694 586 1 2 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.816 0.179 19694 587 1 2 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.136 -1.386 19694 588 1 2 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.763 0.897 19694 589 1 2 . 1 1 27 27 TYR N N 27 118.100 118.100 124.059 -5.959 19694 590 1 2 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.982 0.928 19694 591 1 2 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.165 1.665 19694 592 1 2 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.539 0.271 19694 593 1 2 . 1 1 27 27 TYR H H 27 9.040 9.040 8.772 0.268 19694 594 1 2 . 1 1 28 28 CYS N N 28 122.230 122.230 119.274 2.956 19694 595 1 2 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.647 0.203 19694 596 1 2 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.500 -0.390 19694 597 1 2 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.026 1.504 19694 598 1 2 . 1 1 28 28 CYS H H 28 9.850 9.850 8.313 1.537 19694 599 1 2 . 1 1 29 29 VAL N N 29 118.200 118.200 123.100 -4.900 19694 600 1 2 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.681 -0.031 19694 601 1 2 . 1 1 29 29 VAL CA C 29 67.400 67.400 67.268 0.132 19694 602 1 2 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.248 0.612 19694 603 1 2 . 1 1 29 29 VAL H H 29 8.430 8.430 9.040 -0.610 19694 604 1 2 . 1 1 30 30 VAL N N 30 119.570 119.570 118.469 1.101 19694 605 1 2 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.615 0.245 19694 606 1 2 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.055 0.395 19694 607 1 2 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.505 1.035 19694 608 1 2 . 1 1 30 30 VAL H H 30 7.700 7.700 8.255 -0.555 19694 609 1 2 . 1 1 31 31 CYS N N 31 125.890 125.890 119.645 6.245 19694 610 1 2 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.927 -0.097 19694 611 1 2 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.358 1.492 19694 612 1 2 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.582 3.928 19694 613 1 2 . 1 1 31 31 CYS H H 31 9.050 9.050 7.624 1.426 19694 614 1 2 . 1 1 32 32 PHE N N 32 119.000 119.000 119.395 -0.395 19694 615 1 2 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.775 0.005 19694 616 1 2 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.803 0.807 19694 617 1 2 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.099 0.821 19694 618 1 2 . 1 1 32 32 PHE H H 32 9.080 9.080 7.913 1.167 19694 619 1 2 . 1 1 33 33 GLU N N 33 117.470 117.470 118.054 -0.584 19694 620 1 2 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.071 -0.311 19694 621 1 2 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.400 -0.190 19694 622 1 2 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.207 0.273 19694 623 1 2 . 1 1 33 33 GLU H H 33 8.510 8.510 8.357 0.153 19694 624 1 2 . 1 1 34 34 THR N N 34 114.140 114.140 114.941 -0.801 19694 625 1 2 . 1 1 34 34 THR HA H 34 3.730 3.730 4.019 -0.289 19694 626 1 2 . 1 1 34 34 THR CA C 34 65.890 65.890 65.519 0.370 19694 627 1 2 . 1 1 34 34 THR CB C 34 69.210 69.210 68.687 0.523 19694 628 1 2 . 1 1 34 34 THR H H 34 7.880 7.880 8.342 -0.462 19694 629 1 2 . 1 1 35 35 LEU N N 35 117.980 117.980 120.189 -2.209 19694 630 1 2 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.880 -0.230 19694 631 1 2 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.339 -0.479 19694 632 1 2 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.727 0.142 19694 633 1 2 . 1 1 35 35 LEU H H 35 7.660 7.660 8.018 -0.358 19694 634 1 2 . 1 1 36 36 PHE N N 36 113.900 113.900 113.749 0.151 19694 635 1 2 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.569 0.028 19694 636 1 2 . 1 1 36 36 PHE CA C 36 56.860 56.860 55.902 0.958 19694 637 1 2 . 1 1 36 36 PHE CB C 36 40.570 40.570 37.622 2.948 19694 638 1 2 . 1 1 36 36 PHE H H 36 7.730 7.730 6.680 1.050 19694 639 1 2 . 1 1 37 37 ALA N N 37 121.920 121.920 123.026 -1.106 19694 640 1 2 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.052 0.018 19694 641 1 2 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.523 0.377 19694 642 1 2 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.386 0.384 19694 643 1 2 . 1 1 37 37 ALA H H 37 7.090 7.090 7.815 -0.725 19694 644 1 2 . 1 1 38 38 ASN N N 38 119.230 119.230 119.158 0.072 19694 645 1 2 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.676 -0.226 19694 646 1 2 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.832 0.018 19694 647 1 2 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.806 -0.856 19694 648 1 2 . 1 1 38 38 ASN H H 38 8.790 8.790 8.365 0.425 19694 649 1 2 . 1 1 39 39 THR N N 39 116.330 116.330 115.721 0.609 19694 650 1 2 . 1 1 39 39 THR HA H 39 3.990 3.990 4.332 -0.342 19694 651 1 2 . 1 1 39 39 THR CA C 39 62.130 62.130 62.633 -0.503 19694 652 1 2 . 1 1 39 39 THR CB C 39 69.920 69.920 70.006 -0.086 19694 653 1 2 . 1 1 39 39 THR H H 39 8.540 8.540 8.376 0.164 19694 654 1 2 . 1 1 40 40 CYS N N 40 126.950 126.950 128.060 -1.110 19694 655 1 2 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.468 -0.168 19694 656 1 2 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.021 1.329 19694 657 1 2 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.691 4.909 19694 658 1 2 . 1 1 40 40 CYS H H 40 7.940 7.940 8.549 -0.609 19694 659 1 2 . 1 1 41 41 GLU N N 41 130.560 130.560 127.584 2.976 19694 660 1 2 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.845 -0.155 19694 661 1 2 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.138 -0.538 19694 662 1 2 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.443 1.017 19694 663 1 2 . 1 1 41 41 GLU H H 41 8.810 8.810 8.641 0.169 19694 664 1 2 . 1 1 42 42 GLU N N 42 119.680 119.680 118.438 1.242 19694 665 1 2 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.332 0.238 19694 666 1 2 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.166 -0.166 19694 667 1 2 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.454 1.226 19694 668 1 2 . 1 1 42 42 GLU H H 42 8.500 8.500 8.115 0.385 19694 669 1 2 . 1 1 43 43 CYS N N 43 115.600 115.600 116.407 -0.807 19694 670 1 2 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.531 0.479 19694 671 1 2 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.174 -1.364 19694 672 1 2 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.160 2.420 19694 673 1 2 . 1 1 43 43 CYS H H 43 8.120 8.120 7.969 0.151 19694 674 1 2 . 1 1 44 44 GLY N N 44 112.100 112.100 106.860 5.240 19694 675 1 2 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.397 1.023 19694 676 1 2 . 1 1 44 44 GLY H H 44 7.900 7.900 8.617 -0.717 19694 677 1 2 . 1 1 45 45 LYS N N 45 121.210 121.210 121.744 -0.534 19694 678 1 2 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.847 -0.007 19694 679 1 2 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.686 1.674 19694 680 1 2 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.352 0.078 19694 681 1 2 . 1 1 45 45 LYS H H 45 8.180 8.180 8.087 0.093 19694 682 1 2 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.618 -0.141 19694 683 1 2 . 1 1 46 46 PRO CA C 46 62.700 62.700 62.981 -0.281 19694 684 1 2 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.124 0.366 19694 685 1 2 . 1 1 47 47 ILE N N 47 125.280 125.280 122.604 2.676 19694 686 1 2 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.332 -0.502 19694 687 1 2 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.554 0.486 19694 688 1 2 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.905 -0.465 19694 689 1 2 . 1 1 47 47 ILE H H 47 8.540 8.540 8.867 -0.327 19694 690 1 2 . 1 1 48 48 GLY N N 48 114.120 114.120 113.526 0.594 19694 691 1 2 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.903 0.337 19694 692 1 2 . 1 1 48 48 GLY H H 48 8.660 8.660 8.488 0.172 19694 693 1 2 . 1 1 49 49 CYS N N 49 117.140 117.140 121.826 -4.686 19694 694 1 2 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.238 0.042 19694 695 1 2 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.692 0.188 19694 696 1 2 . 1 1 49 49 CYS CB C 49 27.650 27.650 26.853 0.797 19694 697 1 2 . 1 1 49 49 CYS H H 49 9.210 9.210 9.141 0.069 19694 698 1 2 . 1 1 50 50 ASP N N 50 119.300 119.300 118.954 0.346 19694 699 1 2 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.581 0.039 19694 700 1 2 . 1 1 50 50 ASP CA C 50 54.160 54.160 56.117 -1.958 19694 701 1 2 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.796 -0.416 19694 702 1 2 . 1 1 50 50 ASP H H 50 8.800 8.800 8.560 0.240 19694 703 1 2 . 1 1 51 51 CYS N N 51 118.150 118.150 117.713 0.437 19694 704 1 2 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.650 -0.030 19694 705 1 2 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.361 0.669 19694 706 1 2 . 1 1 51 51 CYS CB C 51 30.090 30.090 30.196 -0.106 19694 707 1 2 . 1 1 51 51 CYS H H 51 7.590 7.590 7.574 0.016 19694 708 1 2 . 1 1 52 52 LYS N N 52 123.800 123.800 123.899 -0.099 19694 709 1 2 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.201 -0.021 19694 710 1 2 . 1 1 52 52 LYS CA C 52 57.240 57.240 57.122 0.118 19694 711 1 2 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.535 1.495 19694 712 1 2 . 1 1 52 52 LYS H H 52 8.600 8.600 8.545 0.055 19694 713 1 2 . 1 1 53 53 ASP N N 53 124.900 124.900 123.717 1.183 19694 714 1 2 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.691 -0.461 19694 715 1 2 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.043 0.087 19694 716 1 2 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.112 1.118 19694 717 1 2 . 1 1 53 53 ASP H H 53 8.250 8.250 8.264 -0.014 19694 718 1 2 . 1 1 54 54 LEU N N 54 130.160 130.160 126.085 4.075 19694 719 1 2 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.642 -0.202 19694 720 1 2 . 1 1 54 54 LEU CA C 54 53.340 53.340 54.956 -1.615 19694 721 1 2 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.163 -1.993 19694 722 1 2 . 1 1 54 54 LEU H H 54 8.670 8.670 9.078 -0.408 19694 723 1 2 . 1 1 55 55 SER N N 55 113.820 113.820 122.361 -8.541 19694 724 1 2 . 1 1 55 55 SER HA H 55 5.580 5.580 5.109 0.471 19694 725 1 2 . 1 1 55 55 SER CA C 55 55.850 55.850 56.316 -0.466 19694 726 1 2 . 1 1 55 55 SER CB C 55 67.300 67.300 64.279 3.021 19694 727 1 2 . 1 1 55 55 SER H H 55 8.160 8.160 8.550 -0.390 19694 728 1 2 . 1 1 56 56 TYR N N 56 122.610 122.610 126.613 -4.003 19694 729 1 2 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.616 0.004 19694 730 1 2 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.603 0.207 19694 731 1 2 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.927 -0.927 19694 732 1 2 . 1 1 56 56 TYR H H 56 8.450 8.450 8.654 -0.204 19694 733 1 2 . 1 1 57 57 LYS N N 57 126.020 126.020 129.487 -3.467 19694 734 1 2 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.893 -0.423 19694 735 1 2 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.316 0.784 19694 736 1 2 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.065 -2.585 19694 737 1 2 . 1 1 57 57 LYS H H 57 8.920 8.920 8.697 0.223 19694 738 1 2 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.192 -0.362 19694 739 1 2 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.281 -0.381 19694 740 1 2 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.769 -0.689 19694 741 1 2 . 1 1 58 58 ASP H H 58 8.400 8.400 8.561 -0.161 19694 742 1 2 . 1 1 59 59 ARG N N 59 121.190 121.190 116.010 5.180 19694 743 1 2 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.503 -0.253 19694 744 1 2 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.233 1.347 19694 745 1 2 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.641 -0.181 19694 746 1 2 . 1 1 59 59 ARG H H 59 7.980 7.980 7.278 0.702 19694 747 1 2 . 1 1 60 60 HIS N N 60 118.420 118.420 117.534 0.886 19694 748 1 2 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.586 -0.316 19694 749 1 2 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.012 -0.002 19694 750 1 2 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.483 -1.103 19694 751 1 2 . 1 1 60 60 HIS H H 60 8.350 8.350 8.118 0.232 19694 752 1 2 . 1 1 61 61 TRP N N 61 119.990 119.990 118.201 1.789 19694 753 1 2 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.788 1.142 19694 754 1 2 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.085 0.315 19694 755 1 2 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.193 1.187 19694 756 1 2 . 1 1 61 61 TRP H H 61 9.310 9.310 9.223 0.087 19694 757 1 2 . 1 1 62 62 HIS N N 62 117.270 117.270 121.420 -4.150 19694 758 1 2 . 1 1 62 62 HIS HA H 62 4.600 4.600 5.068 -0.468 19694 759 1 2 . 1 1 62 62 HIS CA C 62 59.210 59.210 56.857 2.353 19694 760 1 2 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.187 1.013 19694 761 1 2 . 1 1 62 62 HIS H H 62 8.430 8.430 9.122 -0.692 19694 762 1 2 . 1 1 63 63 GLU N N 63 124.640 124.640 128.609 -3.969 19694 763 1 2 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.950 -0.123 19694 764 1 2 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.833 1.187 19694 765 1 2 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.504 0.806 19694 766 1 2 . 1 1 63 63 GLU H H 63 9.040 9.040 8.577 0.463 19694 767 1 2 . 1 1 64 64 ALA N N 64 117.050 117.050 118.240 -1.190 19694 768 1 2 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.307 -0.077 19694 769 1 2 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.101 0.899 19694 770 1 2 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.971 -0.091 19694 771 1 2 . 1 1 64 64 ALA H H 64 8.680 8.680 8.303 0.377 19694 772 1 2 . 1 1 65 65 CYS N N 65 115.380 115.380 117.130 -1.750 19694 773 1 2 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.106 0.189 19694 774 1 2 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.270 -0.420 19694 775 1 2 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.969 5.871 19694 776 1 2 . 1 1 65 65 CYS H H 65 7.490 7.490 8.162 -0.672 19694 777 1 2 . 1 1 66 66 PHE N N 66 122.020 122.020 122.986 -0.966 19694 778 1 2 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.806 0.084 19694 779 1 2 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.480 -1.470 19694 780 1 2 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.104 -0.034 19694 781 1 2 . 1 1 66 66 PHE H H 66 7.110 7.110 7.560 -0.450 19694 782 1 2 . 1 1 67 67 HIS N N 67 121.280 121.280 121.815 -0.535 19694 783 1 2 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.205 -0.485 19694 784 1 2 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.040 -0.310 19694 785 1 2 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.769 1.461 19694 786 1 2 . 1 1 67 67 HIS H H 67 7.380 7.380 7.588 -0.208 19694 787 1 2 . 1 1 68 68 CYS N N 68 121.590 121.590 118.883 2.707 19694 788 1 2 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.967 -1.007 19694 789 1 2 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.969 1.821 19694 790 1 2 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.279 1.921 19694 791 1 2 . 1 1 68 68 CYS H H 68 8.530 8.530 8.346 0.184 19694 792 1 2 . 1 1 69 69 SER N N 69 126.530 126.530 120.489 6.041 19694 793 1 2 . 1 1 69 69 SER HA H 69 4.310 4.310 4.098 0.212 19694 794 1 2 . 1 1 69 69 SER CA C 69 61.760 61.760 60.710 1.050 19694 795 1 2 . 1 1 69 69 SER CB C 69 64.040 64.040 63.186 0.854 19694 796 1 2 . 1 1 69 69 SER H H 69 9.460 9.460 8.821 0.639 19694 797 1 2 . 1 1 70 70 GLN N N 70 122.370 122.370 118.557 3.813 19694 798 1 2 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.417 0.093 19694 799 1 2 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.258 0.582 19694 800 1 2 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.892 0.537 19694 801 1 2 . 1 1 70 70 GLN H H 70 8.980 8.980 7.819 1.161 19694 802 1 2 . 1 1 71 71 CYS N N 71 118.860 118.860 116.800 2.060 19694 803 1 2 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.694 0.026 19694 804 1 2 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.245 1.525 19694 805 1 2 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.152 3.758 19694 806 1 2 . 1 1 71 71 CYS H H 71 8.220 8.220 7.724 0.496 19694 807 1 2 . 1 1 72 72 ARG N N 72 114.380 114.380 115.708 -1.328 19694 808 1 2 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.730 0.235 19694 809 1 2 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.200 0.830 19694 810 1 2 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.006 0.714 19694 811 1 2 . 1 1 72 72 ARG H H 72 7.380 7.380 7.765 -0.385 19694 812 1 2 . 1 1 73 73 ASN N N 73 121.480 121.480 116.384 5.096 19694 813 1 2 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.654 -0.024 19694 814 1 2 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.982 0.128 19694 815 1 2 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.669 -0.799 19694 816 1 2 . 1 1 73 73 ASN H H 73 8.722 8.722 8.162 0.560 19694 817 1 2 . 1 1 74 74 SER N N 74 114.710 114.710 117.648 -2.938 19694 818 1 2 . 1 1 74 74 SER HA H 74 4.060 4.060 4.821 -0.761 19694 819 1 2 . 1 1 74 74 SER CA C 74 59.357 59.357 58.130 1.228 19694 820 1 2 . 1 1 74 74 SER CB C 74 63.300 63.300 62.717 0.583 19694 821 1 2 . 1 1 74 74 SER H H 74 8.690 8.690 8.508 0.182 19694 822 1 2 . 1 1 75 75 LEU N N 75 125.757 125.757 127.777 -2.020 19694 823 1 2 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.305 -0.025 19694 824 1 2 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.881 -1.371 19694 825 1 2 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.818 0.382 19694 826 1 2 . 1 1 75 75 LEU H H 75 7.970 7.970 8.026 -0.056 19694 827 1 2 . 1 1 76 76 VAL N N 76 120.860 120.860 124.521 -3.661 19694 828 1 2 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.885 -0.315 19694 829 1 2 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.816 4.604 19694 830 1 2 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.151 -3.611 19694 831 1 2 . 1 1 76 76 VAL H H 76 7.830 7.830 7.894 -0.064 19694 832 1 2 . 1 1 77 77 ASP N N 77 122.360 122.360 121.329 1.031 19694 833 1 2 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.502 -0.272 19694 834 1 2 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.809 0.391 19694 835 1 2 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.556 -1.175 19694 836 1 2 . 1 1 77 77 ASP H H 77 8.910 8.910 8.362 0.548 19694 837 1 2 . 1 1 78 78 LYS N N 78 118.100 118.100 118.978 -0.878 19694 838 1 2 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.619 0.251 19694 839 1 2 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.486 3.474 19694 840 1 2 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.924 0.756 19694 841 1 2 . 1 1 78 78 LYS H H 78 7.660 7.660 7.616 0.044 19694 842 1 2 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.224 0.236 19694 843 1 2 . 1 1 79 79 PRO CA C 79 62.520 62.520 63.004 -0.484 19694 844 1 2 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.857 0.303 19694 845 1 2 . 1 1 80 80 PHE N N 80 114.050 114.050 117.091 -3.041 19694 846 1 2 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.035 -0.125 19694 847 1 2 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.138 0.922 19694 848 1 2 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.813 0.597 19694 849 1 2 . 1 1 80 80 PHE H H 80 7.510 7.510 7.233 0.277 19694 850 1 2 . 1 1 81 81 ALA N N 81 123.290 123.290 123.602 -0.312 19694 851 1 2 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.354 -0.044 19694 852 1 2 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.400 0.050 19694 853 1 2 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.971 2.950 19694 854 1 2 . 1 1 81 81 ALA H H 81 9.030 9.030 8.965 0.065 19694 855 1 2 . 1 1 82 82 ALA N N 82 122.490 122.490 129.152 -6.662 19694 856 1 2 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.379 0.731 19694 857 1 2 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.664 -0.564 19694 858 1 2 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.772 2.358 19694 859 1 2 . 1 1 82 82 ALA H H 82 8.240 8.240 8.622 -0.382 19694 860 1 2 . 1 1 83 83 LYS N N 83 123.580 123.580 125.775 -2.195 19694 861 1 2 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.527 -0.038 19694 862 1 2 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.275 0.525 19694 863 1 2 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.215 0.505 19694 864 1 2 . 1 1 83 83 LYS H H 83 8.400 8.400 8.168 0.232 19694 865 1 2 . 1 1 84 84 GLU N N 84 125.470 125.470 120.033 5.437 19694 866 1 2 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.123 -0.303 19694 867 1 2 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.922 -0.302 19694 868 1 2 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.726 -2.516 19694 869 1 2 . 1 1 84 84 GLU H H 84 9.320 9.320 8.684 0.636 19694 870 1 2 . 1 1 85 85 ASP N N 85 118.550 118.550 114.280 4.270 19694 871 1 2 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.796 -0.196 19694 872 1 2 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.074 1.326 19694 873 1 2 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.825 -1.425 19694 874 1 2 . 1 1 85 85 ASP H H 85 8.730 8.730 8.243 0.487 19694 875 1 2 . 1 1 86 86 GLN N N 86 119.050 119.050 116.240 2.810 19694 876 1 2 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.513 0.027 19694 877 1 2 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.887 1.213 19694 878 1 2 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.774 -0.664 19694 879 1 2 . 1 1 86 86 GLN H H 86 8.170 8.170 7.604 0.566 19694 880 1 2 . 1 1 87 87 LEU N N 87 123.110 123.110 121.245 1.865 19694 881 1 2 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.205 -0.585 19694 882 1 2 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.020 0.500 19694 883 1 2 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.645 -1.944 19694 884 1 2 . 1 1 87 87 LEU H H 87 8.490 8.490 8.526 -0.036 19694 885 1 2 . 1 1 88 88 LEU N N 88 123.690 123.690 120.124 3.566 19694 886 1 2 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.959 0.921 19694 887 1 2 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.797 0.543 19694 888 1 2 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.819 -0.629 19694 889 1 2 . 1 1 88 88 LEU H H 88 8.930 8.930 8.308 0.622 19694 890 1 2 . 1 1 89 89 CYS N N 89 122.270 122.270 119.136 3.134 19694 891 1 2 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.841 -0.061 19694 892 1 2 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.414 -1.774 19694 893 1 2 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.873 3.067 19694 894 1 2 . 1 1 89 89 CYS H H 89 9.430 9.430 9.057 0.373 19694 895 1 2 . 1 1 90 90 THR N N 90 110.620 110.620 116.917 -6.297 19694 896 1 2 . 1 1 90 90 THR HA H 90 3.900 3.900 3.985 -0.085 19694 897 1 2 . 1 1 90 90 THR CA C 90 65.460 65.460 65.793 -0.333 19694 898 1 2 . 1 1 90 90 THR CB C 90 68.670 68.670 68.915 -0.245 19694 899 1 2 . 1 1 90 90 THR H H 90 8.410 8.410 8.880 -0.470 19694 900 1 2 . 1 1 91 91 ASP N N 91 123.470 123.470 121.310 2.160 19694 901 1 2 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.660 -0.170 19694 902 1 2 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.863 -0.053 19694 903 1 2 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.702 0.458 19694 904 1 2 . 1 1 91 91 ASP H H 91 8.150 8.150 8.341 -0.191 19694 905 1 2 . 1 1 92 92 CYS N N 92 123.800 123.800 119.682 4.118 19694 906 1 2 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.403 -0.433 19694 907 1 2 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.397 2.703 19694 908 1 2 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.109 3.981 19694 909 1 2 . 1 1 92 92 CYS H H 92 8.580 8.580 7.864 0.716 19694 910 1 2 . 1 1 93 93 TYR N N 93 120.730 120.730 120.917 -0.187 19694 911 1 2 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.085 0.055 19694 912 1 2 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.392 -1.012 19694 913 1 2 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.325 0.974 19694 914 1 2 . 1 1 93 93 TYR H H 93 8.540 8.540 9.139 -0.599 19694 915 1 2 . 1 1 94 94 SER N N 94 115.010 115.010 113.069 1.941 19694 916 1 2 . 1 1 94 94 SER HA H 94 4.220 4.220 4.212 0.008 19694 917 1 2 . 1 1 94 94 SER CA C 94 59.300 59.300 61.344 -2.044 19694 918 1 2 . 1 1 94 94 SER CB C 94 63.660 63.660 62.686 0.974 19694 919 1 2 . 1 1 94 94 SER H H 94 7.750 7.750 8.043 -0.293 19694 920 1 2 . 1 1 95 95 ASN N N 95 119.820 119.820 119.014 0.806 19694 921 1 2 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.566 -0.056 19694 922 1 2 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.538 -1.658 19694 923 1 2 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.894 0.406 19694 924 1 2 . 1 1 95 95 ASN H H 95 7.780 7.780 8.010 -0.230 19694 925 1 2 . 1 1 96 96 GLU N N 96 119.820 119.820 117.394 2.426 19694 926 1 2 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.190 -0.094 19694 927 1 2 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.256 -0.346 19694 928 1 2 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.871 0.349 19694 929 1 2 . 1 1 96 96 GLU H H 96 7.950 7.950 7.514 0.436 19694 930 1 2 . 1 1 97 97 TYR N N 97 120.370 120.370 121.112 -0.742 19694 931 1 2 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.983 0.637 19694 932 1 2 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.684 -1.984 19694 933 1 2 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.287 0.423 19694 934 1 2 . 1 1 97 97 TYR H H 97 8.070 8.070 8.287 -0.217 19694 935 1 3 . 1 1 2 2 THR N N 2 113.570 113.570 115.734 -2.164 19694 936 1 3 . 1 1 2 2 THR HA H 2 4.240 4.240 4.276 -0.036 19694 937 1 3 . 1 1 2 2 THR CA C 2 62.130 62.130 62.849 -0.719 19694 938 1 3 . 1 1 2 2 THR CB C 2 69.250 69.250 69.290 -0.040 19694 939 1 3 . 1 1 2 2 THR H H 2 8.090 8.090 8.061 0.029 19694 940 1 3 . 1 1 3 3 GLU N N 3 122.880 122.880 120.720 2.160 19694 941 1 3 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.254 0.026 19694 942 1 3 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.276 0.584 19694 943 1 3 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.240 0.330 19694 944 1 3 . 1 1 3 3 GLU H H 3 8.280 8.280 8.043 0.237 19694 945 1 3 . 1 1 4 4 ARG N N 4 121.330 121.330 119.506 1.824 19694 946 1 3 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.533 -0.233 19694 947 1 3 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.342 0.528 19694 948 1 3 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.736 0.904 19694 949 1 3 . 1 1 4 4 ARG H H 4 8.280 8.280 8.537 -0.257 19694 950 1 3 . 1 1 5 5 PHE N N 5 125.490 125.490 124.717 0.773 19694 951 1 3 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.591 0.019 19694 952 1 3 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.439 -0.059 19694 953 1 3 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.720 -0.160 19694 954 1 3 . 1 1 5 5 PHE H H 5 8.290 8.290 8.688 -0.398 19694 955 1 3 . 1 1 6 6 ASP N N 6 123.260 123.260 121.706 1.554 19694 956 1 3 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.761 0.284 19694 957 1 3 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.835 -0.655 19694 958 1 3 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.444 -0.234 19694 959 1 3 . 1 1 6 6 ASP H H 6 7.940 7.940 7.602 0.338 19694 960 1 3 . 1 1 7 7 CYS N N 7 121.440 121.440 122.768 -1.328 19694 961 1 3 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.414 -0.454 19694 962 1 3 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.513 0.307 19694 963 1 3 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.093 4.857 19694 964 1 3 . 1 1 7 7 CYS H H 7 8.700 8.700 8.554 0.146 19694 965 1 3 . 1 1 8 8 HIS N N 8 129.390 129.390 129.444 -0.054 19694 966 1 3 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.205 -0.005 19694 967 1 3 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.699 -1.459 19694 968 1 3 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.136 -0.656 19694 969 1 3 . 1 1 8 8 HIS H H 8 9.160 9.160 9.586 -0.426 19694 970 1 3 . 1 1 9 9 HIS N N 9 118.740 118.740 116.768 1.972 19694 971 1 3 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.469 0.411 19694 972 1 3 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.484 1.196 19694 973 1 3 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.015 1.025 19694 974 1 3 . 1 1 9 9 HIS H H 9 9.270 9.270 7.928 1.342 19694 975 1 3 . 1 1 10 10 CYS N N 10 118.600 118.600 117.058 1.542 19694 976 1 3 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.507 0.093 19694 977 1 3 . 1 1 10 10 CYS CA C 10 59.600 59.600 58.976 0.624 19694 978 1 3 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.027 4.303 19694 979 1 3 . 1 1 10 10 CYS H H 10 8.550 8.550 7.816 0.734 19694 980 1 3 . 1 1 11 11 ASN N N 11 116.220 116.220 118.498 -2.278 19694 981 1 3 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.351 0.059 19694 982 1 3 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.583 1.057 19694 983 1 3 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.712 0.488 19694 984 1 3 . 1 1 11 11 ASN H H 11 7.690 7.690 8.640 -0.950 19694 985 1 3 . 1 1 12 12 GLU N N 12 120.330 120.330 117.799 2.531 19694 986 1 3 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.496 -0.276 19694 987 1 3 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.201 1.499 19694 988 1 3 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.807 0.103 19694 989 1 3 . 1 1 12 12 GLU H H 12 8.210 8.210 7.718 0.492 19694 990 1 3 . 1 1 13 13 SER N N 13 116.190 116.190 120.403 -4.213 19694 991 1 3 . 1 1 13 13 SER HA H 13 4.060 4.060 4.478 -0.418 19694 992 1 3 . 1 1 13 13 SER CA C 13 59.350 59.350 59.080 0.270 19694 993 1 3 . 1 1 13 13 SER CB C 13 63.820 63.820 63.592 0.228 19694 994 1 3 . 1 1 13 13 SER H H 13 8.520 8.520 8.695 -0.175 19694 995 1 3 . 1 1 14 14 LEU N N 14 126.060 126.060 124.487 1.573 19694 996 1 3 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.334 -0.024 19694 997 1 3 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.927 -1.827 19694 998 1 3 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.557 0.643 19694 999 1 3 . 1 1 14 14 LEU H H 14 8.910 8.910 7.703 1.207 19694 1000 1 3 . 1 1 15 15 PHE N N 15 120.660 120.660 120.940 -0.280 19694 1001 1 3 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.613 -0.133 19694 1002 1 3 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.039 4.361 19694 1003 1 3 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.925 0.205 19694 1004 1 3 . 1 1 15 15 PHE H H 15 7.820 7.820 8.466 -0.646 19694 1005 1 3 . 1 1 16 16 GLY N N 16 114.730 114.730 110.921 3.809 19694 1006 1 3 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.815 0.085 19694 1007 1 3 . 1 1 16 16 GLY H H 16 8.860 8.860 8.807 0.053 19694 1008 1 3 . 1 1 17 17 LYS N N 17 119.580 119.580 119.775 -0.195 19694 1009 1 3 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.468 0.012 19694 1010 1 3 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.522 -0.062 19694 1011 1 3 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.958 1.842 19694 1012 1 3 . 1 1 17 17 LYS H H 17 8.030 8.030 7.242 0.788 19694 1013 1 3 . 1 1 18 18 LYS N N 18 120.330 120.330 121.503 -1.173 19694 1014 1 3 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.342 -0.062 19694 1015 1 3 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.400 -0.600 19694 1016 1 3 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.033 -0.023 19694 1017 1 3 . 1 1 18 18 LYS H H 18 8.190 8.190 8.570 -0.380 19694 1018 1 3 . 1 1 19 19 TYR N N 19 117.500 117.500 113.806 3.694 19694 1019 1 3 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.782 0.458 19694 1020 1 3 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.409 -1.069 19694 1021 1 3 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.220 2.630 19694 1022 1 3 . 1 1 19 19 TYR H H 19 7.610 7.610 7.869 -0.259 19694 1023 1 3 . 1 1 20 20 ILE N N 20 121.430 121.430 121.902 -0.472 19694 1024 1 3 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.246 -0.109 19694 1025 1 3 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.099 -0.089 19694 1026 1 3 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.603 0.967 19694 1027 1 3 . 1 1 20 20 ILE H H 20 9.350 9.350 8.204 1.146 19694 1028 1 3 . 1 1 21 21 LEU N N 21 126.720 126.720 127.164 -0.444 19694 1029 1 3 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.555 0.535 19694 1030 1 3 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.272 -0.252 19694 1031 1 3 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.422 3.298 19694 1032 1 3 . 1 1 21 21 LEU H H 21 8.530 8.530 8.549 -0.019 19694 1033 1 3 . 1 1 22 22 ARG N N 22 123.930 123.930 126.104 -2.174 19694 1034 1 3 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.411 0.029 19694 1035 1 3 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.357 1.243 19694 1036 1 3 . 1 1 22 22 ARG CB C 22 32.280 32.280 31.798 0.482 19694 1037 1 3 . 1 1 22 22 ARG H H 22 9.080 9.080 9.044 0.036 19694 1038 1 3 . 1 1 23 23 GLU N N 23 128.500 128.500 123.903 4.597 19694 1039 1 3 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.891 -0.051 19694 1040 1 3 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.884 0.146 19694 1041 1 3 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.548 -0.348 19694 1042 1 3 . 1 1 23 23 GLU H H 23 9.610 9.610 9.046 0.564 19694 1043 1 3 . 1 1 24 24 GLU N N 24 110.300 110.300 113.778 -3.478 19694 1044 1 3 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.934 -0.154 19694 1045 1 3 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.526 0.794 19694 1046 1 3 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.454 -0.235 19694 1047 1 3 . 1 1 24 24 GLU H H 24 8.660 8.660 8.734 -0.074 19694 1048 1 3 . 1 1 25 25 SER N N 25 117.700 117.700 112.887 4.813 19694 1049 1 3 . 1 1 25 25 SER HA H 25 4.890 4.890 4.850 0.040 19694 1050 1 3 . 1 1 25 25 SER CA C 25 56.540 56.540 55.772 0.768 19694 1051 1 3 . 1 1 25 25 SER CB C 25 64.720 64.720 64.484 0.236 19694 1052 1 3 . 1 1 25 25 SER H H 25 7.900 7.900 7.774 0.126 19694 1053 1 3 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.868 0.127 19694 1054 1 3 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.203 -1.453 19694 1055 1 3 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.706 0.954 19694 1056 1 3 . 1 1 27 27 TYR N N 27 118.100 118.100 123.838 -5.738 19694 1057 1 3 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.972 0.938 19694 1058 1 3 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.330 1.500 19694 1059 1 3 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.716 0.094 19694 1060 1 3 . 1 1 27 27 TYR H H 27 9.040 9.040 9.006 0.034 19694 1061 1 3 . 1 1 28 28 CYS N N 28 122.230 122.230 118.762 3.468 19694 1062 1 3 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.686 0.164 19694 1063 1 3 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.336 -0.226 19694 1064 1 3 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.144 1.386 19694 1065 1 3 . 1 1 28 28 CYS H H 28 9.850 9.850 8.304 1.546 19694 1066 1 3 . 1 1 29 29 VAL N N 29 118.200 118.200 122.884 -4.684 19694 1067 1 3 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.695 -0.045 19694 1068 1 3 . 1 1 29 29 VAL CA C 29 67.400 67.400 67.206 0.194 19694 1069 1 3 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.209 0.651 19694 1070 1 3 . 1 1 29 29 VAL H H 29 8.430 8.430 9.036 -0.606 19694 1071 1 3 . 1 1 30 30 VAL N N 30 119.570 119.570 118.317 1.253 19694 1072 1 3 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.584 0.276 19694 1073 1 3 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.066 0.384 19694 1074 1 3 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.414 1.126 19694 1075 1 3 . 1 1 30 30 VAL H H 30 7.700 7.700 8.164 -0.464 19694 1076 1 3 . 1 1 31 31 CYS N N 31 125.890 125.890 119.547 6.343 19694 1077 1 3 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.920 -0.090 19694 1078 1 3 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.311 1.539 19694 1079 1 3 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.565 3.945 19694 1080 1 3 . 1 1 31 31 CYS H H 31 9.050 9.050 7.592 1.458 19694 1081 1 3 . 1 1 32 32 PHE N N 32 119.000 119.000 119.255 -0.255 19694 1082 1 3 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.697 0.083 19694 1083 1 3 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.925 0.685 19694 1084 1 3 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.057 0.863 19694 1085 1 3 . 1 1 32 32 PHE H H 32 9.080 9.080 7.873 1.207 19694 1086 1 3 . 1 1 33 33 GLU N N 33 117.470 117.470 117.895 -0.425 19694 1087 1 3 . 1 1 33 33 GLU HA H 33 3.760 3.760 3.987 -0.227 19694 1088 1 3 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.493 -0.283 19694 1089 1 3 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.402 0.078 19694 1090 1 3 . 1 1 33 33 GLU H H 33 8.510 8.510 7.979 0.531 19694 1091 1 3 . 1 1 34 34 THR N N 34 114.140 114.140 114.835 -0.695 19694 1092 1 3 . 1 1 34 34 THR HA H 34 3.730 3.730 4.014 -0.284 19694 1093 1 3 . 1 1 34 34 THR CA C 34 65.890 65.890 65.632 0.258 19694 1094 1 3 . 1 1 34 34 THR CB C 34 69.210 69.210 68.725 0.485 19694 1095 1 3 . 1 1 34 34 THR H H 34 7.880 7.880 8.183 -0.303 19694 1096 1 3 . 1 1 35 35 LEU N N 35 117.980 117.980 119.597 -1.617 19694 1097 1 3 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.928 -0.278 19694 1098 1 3 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.594 -0.734 19694 1099 1 3 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.968 -0.098 19694 1100 1 3 . 1 1 35 35 LEU H H 35 7.660 7.660 7.898 -0.238 19694 1101 1 3 . 1 1 36 36 PHE N N 36 113.900 113.900 112.900 1.000 19694 1102 1 3 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.466 0.131 19694 1103 1 3 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.425 0.435 19694 1104 1 3 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.280 2.290 19694 1105 1 3 . 1 1 36 36 PHE H H 36 7.730 7.730 6.682 1.048 19694 1106 1 3 . 1 1 37 37 ALA N N 37 121.920 121.920 123.747 -1.827 19694 1107 1 3 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.088 -0.018 19694 1108 1 3 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.391 0.509 19694 1109 1 3 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.596 0.174 19694 1110 1 3 . 1 1 37 37 ALA H H 37 7.090 7.090 7.853 -0.763 19694 1111 1 3 . 1 1 38 38 ASN N N 38 119.230 119.230 119.521 -0.291 19694 1112 1 3 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.612 -0.162 19694 1113 1 3 . 1 1 38 38 ASN CA C 38 52.850 52.850 53.050 -0.200 19694 1114 1 3 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.767 -0.817 19694 1115 1 3 . 1 1 38 38 ASN H H 38 8.790 8.790 8.234 0.556 19694 1116 1 3 . 1 1 39 39 THR N N 39 116.330 116.330 116.095 0.235 19694 1117 1 3 . 1 1 39 39 THR HA H 39 3.990 3.990 4.336 -0.346 19694 1118 1 3 . 1 1 39 39 THR CA C 39 62.130 62.130 62.772 -0.642 19694 1119 1 3 . 1 1 39 39 THR CB C 39 69.920 69.920 69.647 0.273 19694 1120 1 3 . 1 1 39 39 THR H H 39 8.540 8.540 8.091 0.449 19694 1121 1 3 . 1 1 40 40 CYS N N 40 126.950 126.950 128.435 -1.485 19694 1122 1 3 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.469 -0.169 19694 1123 1 3 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.140 1.210 19694 1124 1 3 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.579 5.021 19694 1125 1 3 . 1 1 40 40 CYS H H 40 7.940 7.940 8.522 -0.582 19694 1126 1 3 . 1 1 41 41 GLU N N 41 130.560 130.560 127.737 2.823 19694 1127 1 3 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.833 -0.143 19694 1128 1 3 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.116 -0.516 19694 1129 1 3 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.378 1.082 19694 1130 1 3 . 1 1 41 41 GLU H H 41 8.810 8.810 8.628 0.182 19694 1131 1 3 . 1 1 42 42 GLU N N 42 119.680 119.680 117.981 1.699 19694 1132 1 3 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.354 0.216 19694 1133 1 3 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.036 -0.036 19694 1134 1 3 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.643 1.037 19694 1135 1 3 . 1 1 42 42 GLU H H 42 8.500 8.500 8.117 0.384 19694 1136 1 3 . 1 1 43 43 CYS N N 43 115.600 115.600 116.518 -0.918 19694 1137 1 3 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.639 0.371 19694 1138 1 3 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.046 -1.236 19694 1139 1 3 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.487 2.093 19694 1140 1 3 . 1 1 43 43 CYS H H 43 8.120 8.120 7.946 0.174 19694 1141 1 3 . 1 1 44 44 GLY N N 44 112.100 112.100 108.491 3.609 19694 1142 1 3 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.232 1.188 19694 1143 1 3 . 1 1 44 44 GLY H H 44 7.900 7.900 8.568 -0.668 19694 1144 1 3 . 1 1 45 45 LYS N N 45 121.210 121.210 122.682 -1.472 19694 1145 1 3 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.710 0.130 19694 1146 1 3 . 1 1 45 45 LYS CA C 45 54.360 54.360 53.025 1.335 19694 1147 1 3 . 1 1 45 45 LYS CB C 45 32.430 32.430 33.448 -1.018 19694 1148 1 3 . 1 1 45 45 LYS H H 45 8.180 8.180 7.933 0.247 19694 1149 1 3 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.514 -0.037 19694 1150 1 3 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.203 -0.503 19694 1151 1 3 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.020 0.470 19694 1152 1 3 . 1 1 47 47 ILE N N 47 125.280 125.280 123.161 2.119 19694 1153 1 3 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.297 -0.467 19694 1154 1 3 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.781 0.259 19694 1155 1 3 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.686 -0.246 19694 1156 1 3 . 1 1 47 47 ILE H H 47 8.540 8.540 8.923 -0.383 19694 1157 1 3 . 1 1 48 48 GLY N N 48 114.120 114.120 113.424 0.696 19694 1158 1 3 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.681 0.559 19694 1159 1 3 . 1 1 48 48 GLY H H 48 8.660 8.660 8.417 0.243 19694 1160 1 3 . 1 1 49 49 CYS N N 49 117.140 117.140 120.779 -3.639 19694 1161 1 3 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.281 -0.001 19694 1162 1 3 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.326 0.554 19694 1163 1 3 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.988 -0.338 19694 1164 1 3 . 1 1 49 49 CYS H H 49 9.210 9.210 8.678 0.532 19694 1165 1 3 . 1 1 50 50 ASP N N 50 119.300 119.300 121.243 -1.943 19694 1166 1 3 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.681 -0.061 19694 1167 1 3 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.456 -1.296 19694 1168 1 3 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.202 0.178 19694 1169 1 3 . 1 1 50 50 ASP H H 50 8.800 8.800 8.462 0.338 19694 1170 1 3 . 1 1 51 51 CYS N N 51 118.150 118.150 117.062 1.088 19694 1171 1 3 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.737 -0.117 19694 1172 1 3 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.630 1.400 19694 1173 1 3 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.681 -1.591 19694 1174 1 3 . 1 1 51 51 CYS H H 51 7.590 7.590 7.496 0.094 19694 1175 1 3 . 1 1 52 52 LYS N N 52 123.800 123.800 122.359 1.441 19694 1176 1 3 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.354 -0.174 19694 1177 1 3 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.032 1.208 19694 1178 1 3 . 1 1 52 52 LYS CB C 52 33.030 33.030 30.994 2.036 19694 1179 1 3 . 1 1 52 52 LYS H H 52 8.600 8.600 8.451 0.149 19694 1180 1 3 . 1 1 53 53 ASP N N 53 124.900 124.900 124.632 0.268 19694 1181 1 3 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.732 -0.502 19694 1182 1 3 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.608 0.522 19694 1183 1 3 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.681 1.549 19694 1184 1 3 . 1 1 53 53 ASP H H 53 8.250 8.250 8.523 -0.273 19694 1185 1 3 . 1 1 54 54 LEU N N 54 130.160 130.160 124.698 5.462 19694 1186 1 3 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.550 -0.110 19694 1187 1 3 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.515 -2.175 19694 1188 1 3 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.351 -2.181 19694 1189 1 3 . 1 1 54 54 LEU H H 54 8.670 8.670 8.929 -0.259 19694 1190 1 3 . 1 1 55 55 SER N N 55 113.820 113.820 121.427 -7.607 19694 1191 1 3 . 1 1 55 55 SER HA H 55 5.580 5.580 5.134 0.446 19694 1192 1 3 . 1 1 55 55 SER CA C 55 55.850 55.850 56.510 -0.660 19694 1193 1 3 . 1 1 55 55 SER CB C 55 67.300 67.300 64.303 2.997 19694 1194 1 3 . 1 1 55 55 SER H H 55 8.160 8.160 8.413 -0.253 19694 1195 1 3 . 1 1 56 56 TYR N N 56 122.610 122.610 125.198 -2.588 19694 1196 1 3 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.640 -0.020 19694 1197 1 3 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.736 0.074 19694 1198 1 3 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.760 -1.760 19694 1199 1 3 . 1 1 56 56 TYR H H 56 8.450 8.450 8.857 -0.407 19694 1200 1 3 . 1 1 57 57 LYS N N 57 126.020 126.020 128.139 -2.119 19694 1201 1 3 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.938 -0.468 19694 1202 1 3 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.406 0.694 19694 1203 1 3 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.098 -2.618 19694 1204 1 3 . 1 1 57 57 LYS H H 57 8.920 8.920 8.735 0.185 19694 1205 1 3 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.234 -0.404 19694 1206 1 3 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.287 -0.387 19694 1207 1 3 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.495 -0.415 19694 1208 1 3 . 1 1 58 58 ASP H H 58 8.400 8.400 8.555 -0.155 19694 1209 1 3 . 1 1 59 59 ARG N N 59 121.190 121.190 116.284 4.906 19694 1210 1 3 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.510 -0.260 19694 1211 1 3 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.169 1.411 19694 1212 1 3 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.300 0.160 19694 1213 1 3 . 1 1 59 59 ARG H H 59 7.980 7.980 7.974 0.006 19694 1214 1 3 . 1 1 60 60 HIS N N 60 118.420 118.420 117.893 0.527 19694 1215 1 3 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.632 -0.362 19694 1216 1 3 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.311 -0.301 19694 1217 1 3 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.196 -0.816 19694 1218 1 3 . 1 1 60 60 HIS H H 60 8.350 8.350 8.131 0.219 19694 1219 1 3 . 1 1 61 61 TRP N N 61 119.990 119.990 118.462 1.528 19694 1220 1 3 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.789 1.141 19694 1221 1 3 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.101 0.299 19694 1222 1 3 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.169 1.211 19694 1223 1 3 . 1 1 61 61 TRP H H 61 9.310 9.310 9.249 0.061 19694 1224 1 3 . 1 1 62 62 HIS N N 62 117.270 117.270 121.233 -3.963 19694 1225 1 3 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.941 -0.341 19694 1226 1 3 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.119 2.091 19694 1227 1 3 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.340 0.861 19694 1228 1 3 . 1 1 62 62 HIS H H 62 8.430 8.430 9.154 -0.724 19694 1229 1 3 . 1 1 63 63 GLU N N 63 124.640 124.640 127.916 -3.276 19694 1230 1 3 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.987 -0.160 19694 1231 1 3 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.647 1.373 19694 1232 1 3 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.654 0.656 19694 1233 1 3 . 1 1 63 63 GLU H H 63 9.040 9.040 8.280 0.760 19694 1234 1 3 . 1 1 64 64 ALA N N 64 117.050 117.050 117.791 -0.741 19694 1235 1 3 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.437 -0.207 19694 1236 1 3 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.927 1.073 19694 1237 1 3 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.073 -0.193 19694 1238 1 3 . 1 1 64 64 ALA H H 64 8.680 8.680 8.227 0.453 19694 1239 1 3 . 1 1 65 65 CYS N N 65 115.380 115.380 117.439 -2.059 19694 1240 1 3 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.561 -0.266 19694 1241 1 3 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.579 -0.729 19694 1242 1 3 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.438 5.402 19694 1243 1 3 . 1 1 65 65 CYS H H 65 7.490 7.490 8.305 -0.815 19694 1244 1 3 . 1 1 66 66 PHE N N 66 122.020 122.020 122.685 -0.665 19694 1245 1 3 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.755 0.135 19694 1246 1 3 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.622 -1.612 19694 1247 1 3 . 1 1 66 66 PHE CB C 66 38.070 38.070 37.894 0.176 19694 1248 1 3 . 1 1 66 66 PHE H H 66 7.110 7.110 7.695 -0.585 19694 1249 1 3 . 1 1 67 67 HIS N N 67 121.280 121.280 120.953 0.327 19694 1250 1 3 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.212 -0.492 19694 1251 1 3 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.726 -0.996 19694 1252 1 3 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.835 0.395 19694 1253 1 3 . 1 1 67 67 HIS H H 67 7.380 7.380 7.024 0.356 19694 1254 1 3 . 1 1 68 68 CYS N N 68 121.590 121.590 119.060 2.530 19694 1255 1 3 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.898 -0.938 19694 1256 1 3 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.230 1.560 19694 1257 1 3 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.748 1.452 19694 1258 1 3 . 1 1 68 68 CYS H H 68 8.530 8.530 8.344 0.186 19694 1259 1 3 . 1 1 69 69 SER N N 69 126.530 126.530 121.078 5.452 19694 1260 1 3 . 1 1 69 69 SER HA H 69 4.310 4.310 4.369 -0.059 19694 1261 1 3 . 1 1 69 69 SER CA C 69 61.760 61.760 61.101 0.659 19694 1262 1 3 . 1 1 69 69 SER CB C 69 64.040 64.040 63.289 0.751 19694 1263 1 3 . 1 1 69 69 SER H H 69 9.460 9.460 8.812 0.648 19694 1264 1 3 . 1 1 70 70 GLN N N 70 122.370 122.370 119.242 3.128 19694 1265 1 3 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.384 0.126 19694 1266 1 3 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.199 0.641 19694 1267 1 3 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.532 0.898 19694 1268 1 3 . 1 1 70 70 GLN H H 70 8.980 8.980 8.116 0.864 19694 1269 1 3 . 1 1 71 71 CYS N N 71 118.860 118.860 116.419 2.441 19694 1270 1 3 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.782 -0.062 19694 1271 1 3 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.272 1.498 19694 1272 1 3 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.863 4.048 19694 1273 1 3 . 1 1 71 71 CYS H H 71 8.220 8.220 7.815 0.405 19694 1274 1 3 . 1 1 72 72 ARG N N 72 114.380 114.380 118.751 -4.371 19694 1275 1 3 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.895 0.070 19694 1276 1 3 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.241 0.789 19694 1277 1 3 . 1 1 72 72 ARG CB C 72 27.720 27.720 28.590 -0.870 19694 1278 1 3 . 1 1 72 72 ARG H H 72 7.380 7.380 7.793 -0.413 19694 1279 1 3 . 1 1 73 73 ASN N N 73 121.480 121.480 115.603 5.877 19694 1280 1 3 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.652 -0.022 19694 1281 1 3 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.249 -0.140 19694 1282 1 3 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.535 -0.665 19694 1283 1 3 . 1 1 73 73 ASN H H 73 8.722 8.722 8.162 0.560 19694 1284 1 3 . 1 1 74 74 SER N N 74 114.710 114.710 117.612 -2.902 19694 1285 1 3 . 1 1 74 74 SER HA H 74 4.060 4.060 4.875 -0.815 19694 1286 1 3 . 1 1 74 74 SER CA C 74 59.357 59.357 58.331 1.026 19694 1287 1 3 . 1 1 74 74 SER CB C 74 63.300 63.300 62.866 0.434 19694 1288 1 3 . 1 1 74 74 SER H H 74 8.690 8.690 8.494 0.196 19694 1289 1 3 . 1 1 75 75 LEU N N 75 125.757 125.757 126.955 -1.198 19694 1290 1 3 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.311 -0.031 19694 1291 1 3 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.756 -1.246 19694 1292 1 3 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.705 0.495 19694 1293 1 3 . 1 1 75 75 LEU H H 75 7.970 7.970 8.027 -0.057 19694 1294 1 3 . 1 1 76 76 VAL N N 76 120.860 120.860 123.719 -2.859 19694 1295 1 3 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.917 -0.347 19694 1296 1 3 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.933 4.487 19694 1297 1 3 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.613 -4.073 19694 1298 1 3 . 1 1 76 76 VAL H H 76 7.830 7.830 8.054 -0.224 19694 1299 1 3 . 1 1 77 77 ASP N N 77 122.360 122.360 124.394 -2.034 19694 1300 1 3 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.461 -0.231 19694 1301 1 3 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.869 0.331 19694 1302 1 3 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.756 -1.376 19694 1303 1 3 . 1 1 77 77 ASP H H 77 8.910 8.910 8.618 0.292 19694 1304 1 3 . 1 1 78 78 LYS N N 78 118.100 118.100 118.409 -0.309 19694 1305 1 3 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.636 0.234 19694 1306 1 3 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.695 3.265 19694 1307 1 3 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.745 0.935 19694 1308 1 3 . 1 1 78 78 LYS H H 78 7.660 7.660 7.639 0.021 19694 1309 1 3 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.210 0.250 19694 1310 1 3 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.967 -0.447 19694 1311 1 3 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.839 0.321 19694 1312 1 3 . 1 1 80 80 PHE N N 80 114.050 114.050 117.060 -3.010 19694 1313 1 3 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.048 -0.138 19694 1314 1 3 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.033 1.027 19694 1315 1 3 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.898 0.512 19694 1316 1 3 . 1 1 80 80 PHE H H 80 7.510 7.510 7.146 0.364 19694 1317 1 3 . 1 1 81 81 ALA N N 81 123.290 123.290 123.661 -0.371 19694 1318 1 3 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.369 -0.059 19694 1319 1 3 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.400 0.050 19694 1320 1 3 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.989 2.930 19694 1321 1 3 . 1 1 81 81 ALA H H 81 9.030 9.030 9.029 0.001 19694 1322 1 3 . 1 1 82 82 ALA N N 82 122.490 122.490 128.685 -6.195 19694 1323 1 3 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.371 0.739 19694 1324 1 3 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.908 -0.809 19694 1325 1 3 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.782 2.348 19694 1326 1 3 . 1 1 82 82 ALA H H 82 8.240 8.240 8.594 -0.354 19694 1327 1 3 . 1 1 83 83 LYS N N 83 123.580 123.580 126.072 -2.492 19694 1328 1 3 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.493 -0.003 19694 1329 1 3 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.407 0.393 19694 1330 1 3 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.092 0.629 19694 1331 1 3 . 1 1 83 83 LYS H H 83 8.400 8.400 8.314 0.086 19694 1332 1 3 . 1 1 84 84 GLU N N 84 125.470 125.470 120.663 4.807 19694 1333 1 3 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.114 -0.294 19694 1334 1 3 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.981 -0.361 19694 1335 1 3 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.739 -2.529 19694 1336 1 3 . 1 1 84 84 GLU H H 84 9.320 9.320 8.785 0.535 19694 1337 1 3 . 1 1 85 85 ASP N N 85 118.550 118.550 114.136 4.414 19694 1338 1 3 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.761 -0.161 19694 1339 1 3 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.111 1.289 19694 1340 1 3 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.919 -1.519 19694 1341 1 3 . 1 1 85 85 ASP H H 85 8.730 8.730 8.198 0.532 19694 1342 1 3 . 1 1 86 86 GLN N N 86 119.050 119.050 116.698 2.352 19694 1343 1 3 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.655 -0.115 19694 1344 1 3 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.925 1.175 19694 1345 1 3 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.017 -0.907 19694 1346 1 3 . 1 1 86 86 GLN H H 86 8.170 8.170 7.561 0.609 19694 1347 1 3 . 1 1 87 87 LEU N N 87 123.110 123.110 121.201 1.909 19694 1348 1 3 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.195 -0.575 19694 1349 1 3 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.952 0.568 19694 1350 1 3 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.552 -1.852 19694 1351 1 3 . 1 1 87 87 LEU H H 87 8.490 8.490 8.481 0.009 19694 1352 1 3 . 1 1 88 88 LEU N N 88 123.690 123.690 120.050 3.640 19694 1353 1 3 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.965 0.915 19694 1354 1 3 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.842 0.498 19694 1355 1 3 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.848 -0.658 19694 1356 1 3 . 1 1 88 88 LEU H H 88 8.930 8.930 8.360 0.570 19694 1357 1 3 . 1 1 89 89 CYS N N 89 122.270 122.270 119.701 2.569 19694 1358 1 3 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.829 -0.049 19694 1359 1 3 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.240 -1.600 19694 1360 1 3 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.170 2.770 19694 1361 1 3 . 1 1 89 89 CYS H H 89 9.430 9.430 9.019 0.411 19694 1362 1 3 . 1 1 90 90 THR N N 90 110.620 110.620 117.396 -6.776 19694 1363 1 3 . 1 1 90 90 THR HA H 90 3.900 3.900 3.957 -0.057 19694 1364 1 3 . 1 1 90 90 THR CA C 90 65.460 65.460 65.860 -0.400 19694 1365 1 3 . 1 1 90 90 THR CB C 90 68.670 68.670 68.673 -0.003 19694 1366 1 3 . 1 1 90 90 THR H H 90 8.410 8.410 8.886 -0.476 19694 1367 1 3 . 1 1 91 91 ASP N N 91 123.470 123.470 121.661 1.809 19694 1368 1 3 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.627 -0.137 19694 1369 1 3 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.446 0.364 19694 1370 1 3 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.543 0.617 19694 1371 1 3 . 1 1 91 91 ASP H H 91 8.150 8.150 8.489 -0.339 19694 1372 1 3 . 1 1 92 92 CYS N N 92 123.800 123.800 119.823 3.977 19694 1373 1 3 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.288 -0.318 19694 1374 1 3 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.834 2.267 19694 1375 1 3 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.000 4.090 19694 1376 1 3 . 1 1 92 92 CYS H H 92 8.580 8.580 7.931 0.649 19694 1377 1 3 . 1 1 93 93 TYR N N 93 120.730 120.730 120.750 -0.020 19694 1378 1 3 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.060 0.080 19694 1379 1 3 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.428 -1.048 19694 1380 1 3 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.260 1.040 19694 1381 1 3 . 1 1 93 93 TYR H H 93 8.540 8.540 9.148 -0.608 19694 1382 1 3 . 1 1 94 94 SER N N 94 115.010 115.010 112.977 2.033 19694 1383 1 3 . 1 1 94 94 SER HA H 94 4.220 4.220 4.051 0.169 19694 1384 1 3 . 1 1 94 94 SER CA C 94 59.300 59.300 61.066 -1.766 19694 1385 1 3 . 1 1 94 94 SER CB C 94 63.660 63.660 62.665 0.995 19694 1386 1 3 . 1 1 94 94 SER H H 94 7.750 7.750 8.110 -0.360 19694 1387 1 3 . 1 1 95 95 ASN N N 95 119.820 119.820 117.310 2.510 19694 1388 1 3 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.545 -0.035 19694 1389 1 3 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.583 -1.703 19694 1390 1 3 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.886 0.414 19694 1391 1 3 . 1 1 95 95 ASN H H 95 7.780 7.780 7.892 -0.112 19694 1392 1 3 . 1 1 96 96 GLU N N 96 119.820 119.820 117.301 2.519 19694 1393 1 3 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.182 -0.086 19694 1394 1 3 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.206 -0.296 19694 1395 1 3 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.485 0.735 19694 1396 1 3 . 1 1 96 96 GLU H H 96 7.950 7.950 7.685 0.265 19694 1397 1 3 . 1 1 97 97 TYR N N 97 120.370 120.370 119.930 0.440 19694 1398 1 3 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.152 0.468 19694 1399 1 3 . 1 1 97 97 TYR CA C 97 57.700 57.700 58.861 -1.161 19694 1400 1 3 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.839 -0.129 19694 1401 1 3 . 1 1 97 97 TYR H H 97 8.070 8.070 8.331 -0.261 19694 1402 1 4 . 1 1 2 2 THR N N 2 113.570 113.570 115.724 -2.154 19694 1403 1 4 . 1 1 2 2 THR HA H 2 4.240 4.240 4.137 0.103 19694 1404 1 4 . 1 1 2 2 THR CA C 2 62.130 62.130 63.914 -1.784 19694 1405 1 4 . 1 1 2 2 THR CB C 2 69.250 69.250 68.790 0.460 19694 1406 1 4 . 1 1 2 2 THR H H 2 8.090 8.090 8.222 -0.132 19694 1407 1 4 . 1 1 3 3 GLU N N 3 122.880 122.880 119.858 3.022 19694 1408 1 4 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.345 -0.065 19694 1409 1 4 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.110 0.750 19694 1410 1 4 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.296 0.274 19694 1411 1 4 . 1 1 3 3 GLU H H 3 8.280 8.280 8.010 0.270 19694 1412 1 4 . 1 1 4 4 ARG N N 4 121.330 121.330 119.456 1.874 19694 1413 1 4 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.539 -0.239 19694 1414 1 4 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.225 0.645 19694 1415 1 4 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.625 1.015 19694 1416 1 4 . 1 1 4 4 ARG H H 4 8.280 8.280 8.563 -0.283 19694 1417 1 4 . 1 1 5 5 PHE N N 5 125.490 125.490 125.155 0.335 19694 1418 1 4 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.575 0.035 19694 1419 1 4 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.481 -0.101 19694 1420 1 4 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.678 -0.118 19694 1421 1 4 . 1 1 5 5 PHE H H 5 8.290 8.290 8.732 -0.442 19694 1422 1 4 . 1 1 6 6 ASP N N 6 123.260 123.260 121.563 1.697 19694 1423 1 4 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.765 0.280 19694 1424 1 4 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.069 -0.889 19694 1425 1 4 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.801 -0.591 19694 1426 1 4 . 1 1 6 6 ASP H H 6 7.940 7.940 7.593 0.347 19694 1427 1 4 . 1 1 7 7 CYS N N 7 121.440 121.440 122.663 -1.223 19694 1428 1 4 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.386 -0.426 19694 1429 1 4 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.517 0.303 19694 1430 1 4 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.252 4.698 19694 1431 1 4 . 1 1 7 7 CYS H H 7 8.700 8.700 8.643 0.057 19694 1432 1 4 . 1 1 8 8 HIS N N 8 129.390 129.390 130.174 -0.784 19694 1433 1 4 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.252 -0.052 19694 1434 1 4 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.706 -1.466 19694 1435 1 4 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.004 -0.524 19694 1436 1 4 . 1 1 8 8 HIS H H 8 9.160 9.160 9.634 -0.474 19694 1437 1 4 . 1 1 9 9 HIS N N 9 118.740 118.740 117.568 1.172 19694 1438 1 4 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.559 0.321 19694 1439 1 4 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.185 1.495 19694 1440 1 4 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.238 0.802 19694 1441 1 4 . 1 1 9 9 HIS H H 9 9.270 9.270 8.011 1.259 19694 1442 1 4 . 1 1 10 10 CYS N N 10 118.600 118.600 117.336 1.264 19694 1443 1 4 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.399 0.201 19694 1444 1 4 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.091 0.509 19694 1445 1 4 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.805 4.524 19694 1446 1 4 . 1 1 10 10 CYS H H 10 8.550 8.550 7.828 0.722 19694 1447 1 4 . 1 1 11 11 ASN N N 11 116.220 116.220 118.305 -2.085 19694 1448 1 4 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.356 0.054 19694 1449 1 4 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.608 1.032 19694 1450 1 4 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.761 0.439 19694 1451 1 4 . 1 1 11 11 ASN H H 11 7.690 7.690 8.652 -0.962 19694 1452 1 4 . 1 1 12 12 GLU N N 12 120.330 120.330 117.574 2.756 19694 1453 1 4 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.489 -0.269 19694 1454 1 4 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.352 1.348 19694 1455 1 4 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.662 0.248 19694 1456 1 4 . 1 1 12 12 GLU H H 12 8.210 8.210 7.662 0.548 19694 1457 1 4 . 1 1 13 13 SER N N 13 116.190 116.190 119.668 -3.478 19694 1458 1 4 . 1 1 13 13 SER HA H 13 4.060 4.060 4.461 -0.401 19694 1459 1 4 . 1 1 13 13 SER CA C 13 59.350 59.350 58.682 0.668 19694 1460 1 4 . 1 1 13 13 SER CB C 13 63.820 63.820 63.575 0.245 19694 1461 1 4 . 1 1 13 13 SER H H 13 8.520 8.520 8.697 -0.177 19694 1462 1 4 . 1 1 14 14 LEU N N 14 126.060 126.060 126.659 -0.599 19694 1463 1 4 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.341 -0.031 19694 1464 1 4 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.828 -1.728 19694 1465 1 4 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.620 0.580 19694 1466 1 4 . 1 1 14 14 LEU H H 14 8.910 8.910 7.710 1.200 19694 1467 1 4 . 1 1 15 15 PHE N N 15 120.660 120.660 121.219 -0.559 19694 1468 1 4 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.599 -0.119 19694 1469 1 4 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.624 3.776 19694 1470 1 4 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.030 0.100 19694 1471 1 4 . 1 1 15 15 PHE H H 15 7.820 7.820 8.535 -0.715 19694 1472 1 4 . 1 1 16 16 GLY N N 16 114.730 114.730 110.923 3.807 19694 1473 1 4 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.811 0.089 19694 1474 1 4 . 1 1 16 16 GLY H H 16 8.860 8.860 8.806 0.054 19694 1475 1 4 . 1 1 17 17 LYS N N 17 119.580 119.580 119.805 -0.225 19694 1476 1 4 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.478 0.002 19694 1477 1 4 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.553 -0.093 19694 1478 1 4 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.992 1.808 19694 1479 1 4 . 1 1 17 17 LYS H H 17 8.030 8.030 7.261 0.769 19694 1480 1 4 . 1 1 18 18 LYS N N 18 120.330 120.330 122.019 -1.689 19694 1481 1 4 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.331 -0.051 19694 1482 1 4 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.581 -0.781 19694 1483 1 4 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.039 -0.029 19694 1484 1 4 . 1 1 18 18 LYS H H 18 8.190 8.190 8.543 -0.353 19694 1485 1 4 . 1 1 19 19 TYR N N 19 117.500 117.500 114.420 3.080 19694 1486 1 4 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.781 0.459 19694 1487 1 4 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.452 -1.112 19694 1488 1 4 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.231 2.619 19694 1489 1 4 . 1 1 19 19 TYR H H 19 7.610 7.610 7.903 -0.293 19694 1490 1 4 . 1 1 20 20 ILE N N 20 121.430 121.430 122.047 -0.617 19694 1491 1 4 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.228 -0.091 19694 1492 1 4 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.062 -0.052 19694 1493 1 4 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.524 1.046 19694 1494 1 4 . 1 1 20 20 ILE H H 20 9.350 9.350 8.287 1.063 19694 1495 1 4 . 1 1 21 21 LEU N N 21 126.720 126.720 126.849 -0.129 19694 1496 1 4 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.515 0.575 19694 1497 1 4 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.344 -0.324 19694 1498 1 4 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.575 3.146 19694 1499 1 4 . 1 1 21 21 LEU H H 21 8.530 8.530 8.507 0.023 19694 1500 1 4 . 1 1 22 22 ARG N N 22 123.930 123.930 126.471 -2.541 19694 1501 1 4 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.481 -0.041 19694 1502 1 4 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.881 1.719 19694 1503 1 4 . 1 1 22 22 ARG CB C 22 32.280 32.280 31.727 0.553 19694 1504 1 4 . 1 1 22 22 ARG H H 22 9.080 9.080 9.138 -0.058 19694 1505 1 4 . 1 1 23 23 GLU N N 23 128.500 128.500 124.197 4.303 19694 1506 1 4 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.863 -0.023 19694 1507 1 4 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.822 0.208 19694 1508 1 4 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.490 -0.290 19694 1509 1 4 . 1 1 23 23 GLU H H 23 9.610 9.610 9.048 0.562 19694 1510 1 4 . 1 1 24 24 GLU N N 24 110.300 110.300 113.359 -3.059 19694 1511 1 4 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.922 -0.142 19694 1512 1 4 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.480 0.840 19694 1513 1 4 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.285 -0.065 19694 1514 1 4 . 1 1 24 24 GLU H H 24 8.660 8.660 8.712 -0.052 19694 1515 1 4 . 1 1 25 25 SER N N 25 117.700 117.700 112.472 5.228 19694 1516 1 4 . 1 1 25 25 SER HA H 25 4.890 4.890 4.794 0.096 19694 1517 1 4 . 1 1 25 25 SER CA C 25 56.540 56.540 55.659 0.881 19694 1518 1 4 . 1 1 25 25 SER CB C 25 64.720 64.720 65.601 -0.881 19694 1519 1 4 . 1 1 25 25 SER H H 25 7.900 7.900 7.781 0.119 19694 1520 1 4 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.814 0.181 19694 1521 1 4 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.144 -1.394 19694 1522 1 4 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.778 0.882 19694 1523 1 4 . 1 1 27 27 TYR N N 27 118.100 118.100 124.032 -5.932 19694 1524 1 4 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.981 0.929 19694 1525 1 4 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.158 1.672 19694 1526 1 4 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.588 0.222 19694 1527 1 4 . 1 1 27 27 TYR H H 27 9.040 9.040 8.756 0.284 19694 1528 1 4 . 1 1 28 28 CYS N N 28 122.230 122.230 119.826 2.404 19694 1529 1 4 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.654 0.196 19694 1530 1 4 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.510 -0.399 19694 1531 1 4 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.072 1.458 19694 1532 1 4 . 1 1 28 28 CYS H H 28 9.850 9.850 8.359 1.491 19694 1533 1 4 . 1 1 29 29 VAL N N 29 118.200 118.200 122.322 -4.122 19694 1534 1 4 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.799 -0.149 19694 1535 1 4 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.475 0.925 19694 1536 1 4 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.074 0.786 19694 1537 1 4 . 1 1 29 29 VAL H H 29 8.430 8.430 8.945 -0.515 19694 1538 1 4 . 1 1 30 30 VAL N N 30 119.570 119.570 118.762 0.808 19694 1539 1 4 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.672 0.188 19694 1540 1 4 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.010 0.440 19694 1541 1 4 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.617 0.923 19694 1542 1 4 . 1 1 30 30 VAL H H 30 7.700 7.700 7.969 -0.269 19694 1543 1 4 . 1 1 31 31 CYS N N 31 125.890 125.890 119.583 6.307 19694 1544 1 4 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.925 -0.095 19694 1545 1 4 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.289 1.561 19694 1546 1 4 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.589 3.921 19694 1547 1 4 . 1 1 31 31 CYS H H 31 9.050 9.050 7.570 1.480 19694 1548 1 4 . 1 1 32 32 PHE N N 32 119.000 119.000 119.275 -0.275 19694 1549 1 4 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.767 0.013 19694 1550 1 4 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.916 0.694 19694 1551 1 4 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.107 0.813 19694 1552 1 4 . 1 1 32 32 PHE H H 32 9.080 9.080 7.907 1.173 19694 1553 1 4 . 1 1 33 33 GLU N N 33 117.470 117.470 118.202 -0.732 19694 1554 1 4 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.017 -0.257 19694 1555 1 4 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.357 -0.147 19694 1556 1 4 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.441 0.039 19694 1557 1 4 . 1 1 33 33 GLU H H 33 8.510 8.510 8.011 0.499 19694 1558 1 4 . 1 1 34 34 THR N N 34 114.140 114.140 115.057 -0.917 19694 1559 1 4 . 1 1 34 34 THR HA H 34 3.730 3.730 3.923 -0.193 19694 1560 1 4 . 1 1 34 34 THR CA C 34 65.890 65.890 66.085 -0.195 19694 1561 1 4 . 1 1 34 34 THR CB C 34 69.210 69.210 68.794 0.416 19694 1562 1 4 . 1 1 34 34 THR H H 34 7.880 7.880 8.210 -0.330 19694 1563 1 4 . 1 1 35 35 LEU N N 35 117.980 117.980 119.442 -1.462 19694 1564 1 4 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.918 -0.268 19694 1565 1 4 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.500 -0.640 19694 1566 1 4 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.998 -0.128 19694 1567 1 4 . 1 1 35 35 LEU H H 35 7.660 7.660 7.813 -0.153 19694 1568 1 4 . 1 1 36 36 PHE N N 36 113.900 113.900 113.965 -0.065 19694 1569 1 4 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.424 0.173 19694 1570 1 4 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.350 0.510 19694 1571 1 4 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.139 2.431 19694 1572 1 4 . 1 1 36 36 PHE H H 36 7.730 7.730 6.566 1.163 19694 1573 1 4 . 1 1 37 37 ALA N N 37 121.920 121.920 123.429 -1.509 19694 1574 1 4 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.056 0.014 19694 1575 1 4 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.497 0.403 19694 1576 1 4 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.641 0.129 19694 1577 1 4 . 1 1 37 37 ALA H H 37 7.090 7.090 7.865 -0.775 19694 1578 1 4 . 1 1 38 38 ASN N N 38 119.230 119.230 118.994 0.236 19694 1579 1 4 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.643 -0.193 19694 1580 1 4 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.716 0.134 19694 1581 1 4 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.014 -1.064 19694 1582 1 4 . 1 1 38 38 ASN H H 38 8.790 8.790 8.276 0.514 19694 1583 1 4 . 1 1 39 39 THR N N 39 116.330 116.330 115.664 0.666 19694 1584 1 4 . 1 1 39 39 THR HA H 39 3.990 3.990 4.323 -0.333 19694 1585 1 4 . 1 1 39 39 THR CA C 39 62.130 62.130 63.059 -0.929 19694 1586 1 4 . 1 1 39 39 THR CB C 39 69.920 69.920 69.638 0.282 19694 1587 1 4 . 1 1 39 39 THR H H 39 8.540 8.540 8.197 0.343 19694 1588 1 4 . 1 1 40 40 CYS N N 40 126.950 126.950 128.213 -1.263 19694 1589 1 4 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.473 -0.173 19694 1590 1 4 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.182 1.168 19694 1591 1 4 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.619 4.981 19694 1592 1 4 . 1 1 40 40 CYS H H 40 7.940 7.940 8.457 -0.517 19694 1593 1 4 . 1 1 41 41 GLU N N 41 130.560 130.560 127.618 2.942 19694 1594 1 4 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.848 -0.158 19694 1595 1 4 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.128 -0.528 19694 1596 1 4 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.434 1.026 19694 1597 1 4 . 1 1 41 41 GLU H H 41 8.810 8.810 8.686 0.124 19694 1598 1 4 . 1 1 42 42 GLU N N 42 119.680 119.680 118.165 1.515 19694 1599 1 4 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.335 0.235 19694 1600 1 4 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.134 -0.134 19694 1601 1 4 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.586 1.094 19694 1602 1 4 . 1 1 42 42 GLU H H 42 8.500 8.500 8.129 0.371 19694 1603 1 4 . 1 1 43 43 CYS N N 43 115.600 115.600 116.177 -0.577 19694 1604 1 4 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.673 0.337 19694 1605 1 4 . 1 1 43 43 CYS CA C 43 58.810 58.810 59.711 -0.901 19694 1606 1 4 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.170 2.410 19694 1607 1 4 . 1 1 43 43 CYS H H 43 8.120 8.120 8.062 0.058 19694 1608 1 4 . 1 1 44 44 GLY N N 44 112.100 112.100 107.204 4.896 19694 1609 1 4 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.275 1.145 19694 1610 1 4 . 1 1 44 44 GLY H H 44 7.900 7.900 8.585 -0.685 19694 1611 1 4 . 1 1 45 45 LYS N N 45 121.210 121.210 121.733 -0.523 19694 1612 1 4 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.665 0.175 19694 1613 1 4 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.782 1.578 19694 1614 1 4 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.767 -0.337 19694 1615 1 4 . 1 1 45 45 LYS H H 45 8.180 8.180 7.839 0.341 19694 1616 1 4 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.549 -0.072 19694 1617 1 4 . 1 1 46 46 PRO CA C 46 62.700 62.700 62.985 -0.285 19694 1618 1 4 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.060 0.430 19694 1619 1 4 . 1 1 47 47 ILE N N 47 125.280 125.280 123.141 2.139 19694 1620 1 4 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.307 -0.477 19694 1621 1 4 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.791 0.249 19694 1622 1 4 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.648 -0.208 19694 1623 1 4 . 1 1 47 47 ILE H H 47 8.540 8.540 8.867 -0.327 19694 1624 1 4 . 1 1 48 48 GLY N N 48 114.120 114.120 113.948 0.172 19694 1625 1 4 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.191 1.049 19694 1626 1 4 . 1 1 48 48 GLY H H 48 8.660 8.660 8.447 0.213 19694 1627 1 4 . 1 1 49 49 CYS N N 49 117.140 117.140 116.978 0.162 19694 1628 1 4 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.395 -0.115 19694 1629 1 4 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.153 1.727 19694 1630 1 4 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.865 -0.215 19694 1631 1 4 . 1 1 49 49 CYS H H 49 9.210 9.210 8.522 0.688 19694 1632 1 4 . 1 1 50 50 ASP N N 50 119.300 119.300 120.737 -1.437 19694 1633 1 4 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.618 0.002 19694 1634 1 4 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.027 -0.867 19694 1635 1 4 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.605 -0.225 19694 1636 1 4 . 1 1 50 50 ASP H H 50 8.800 8.800 8.391 0.409 19694 1637 1 4 . 1 1 51 51 CYS N N 51 118.150 118.150 116.882 1.268 19694 1638 1 4 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.737 -0.117 19694 1639 1 4 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.087 0.943 19694 1640 1 4 . 1 1 51 51 CYS CB C 51 30.090 30.090 32.314 -2.224 19694 1641 1 4 . 1 1 51 51 CYS H H 51 7.590 7.590 7.427 0.163 19694 1642 1 4 . 1 1 52 52 LYS N N 52 123.800 123.800 122.708 1.092 19694 1643 1 4 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.272 -0.092 19694 1644 1 4 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.931 0.309 19694 1645 1 4 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.855 1.175 19694 1646 1 4 . 1 1 52 52 LYS H H 52 8.600 8.600 8.588 0.012 19694 1647 1 4 . 1 1 53 53 ASP N N 53 124.900 124.900 124.244 0.656 19694 1648 1 4 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.755 -0.525 19694 1649 1 4 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.880 0.250 19694 1650 1 4 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.330 0.900 19694 1651 1 4 . 1 1 53 53 ASP H H 53 8.250 8.250 8.432 -0.182 19694 1652 1 4 . 1 1 54 54 LEU N N 54 130.160 130.160 124.741 5.419 19694 1653 1 4 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.739 -0.299 19694 1654 1 4 . 1 1 54 54 LEU CA C 54 53.340 53.340 54.477 -1.137 19694 1655 1 4 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.473 -2.303 19694 1656 1 4 . 1 1 54 54 LEU H H 54 8.670 8.670 9.013 -0.343 19694 1657 1 4 . 1 1 55 55 SER N N 55 113.820 113.820 121.271 -7.451 19694 1658 1 4 . 1 1 55 55 SER HA H 55 5.580 5.580 5.146 0.434 19694 1659 1 4 . 1 1 55 55 SER CA C 55 55.850 55.850 56.643 -0.793 19694 1660 1 4 . 1 1 55 55 SER CB C 55 67.300 67.300 64.618 2.683 19694 1661 1 4 . 1 1 55 55 SER H H 55 8.160 8.160 8.620 -0.460 19694 1662 1 4 . 1 1 56 56 TYR N N 56 122.610 122.610 126.068 -3.458 19694 1663 1 4 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.633 -0.013 19694 1664 1 4 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.630 0.180 19694 1665 1 4 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.739 -0.738 19694 1666 1 4 . 1 1 56 56 TYR H H 56 8.450 8.450 8.723 -0.273 19694 1667 1 4 . 1 1 57 57 LYS N N 57 126.020 126.020 129.440 -3.420 19694 1668 1 4 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.874 -0.404 19694 1669 1 4 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.143 0.957 19694 1670 1 4 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.065 -2.585 19694 1671 1 4 . 1 1 57 57 LYS H H 57 8.920 8.920 8.580 0.340 19694 1672 1 4 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.204 -0.374 19694 1673 1 4 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.389 -0.489 19694 1674 1 4 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.609 -0.529 19694 1675 1 4 . 1 1 58 58 ASP H H 58 8.400 8.400 8.609 -0.209 19694 1676 1 4 . 1 1 59 59 ARG N N 59 121.190 121.190 116.012 5.178 19694 1677 1 4 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.476 -0.226 19694 1678 1 4 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.100 1.480 19694 1679 1 4 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.316 0.144 19694 1680 1 4 . 1 1 59 59 ARG H H 59 7.980 7.980 7.279 0.701 19694 1681 1 4 . 1 1 60 60 HIS N N 60 118.420 118.420 117.692 0.728 19694 1682 1 4 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.646 -0.376 19694 1683 1 4 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.096 -0.086 19694 1684 1 4 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.376 -0.996 19694 1685 1 4 . 1 1 60 60 HIS H H 60 8.350 8.350 8.064 0.286 19694 1686 1 4 . 1 1 61 61 TRP N N 61 119.990 119.990 118.455 1.535 19694 1687 1 4 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.799 1.131 19694 1688 1 4 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.099 0.301 19694 1689 1 4 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.207 1.173 19694 1690 1 4 . 1 1 61 61 TRP H H 61 9.310 9.310 9.259 0.051 19694 1691 1 4 . 1 1 62 62 HIS N N 62 117.270 117.270 121.511 -4.241 19694 1692 1 4 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.881 -0.281 19694 1693 1 4 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.285 1.925 19694 1694 1 4 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.403 0.797 19694 1695 1 4 . 1 1 62 62 HIS H H 62 8.430 8.430 9.114 -0.684 19694 1696 1 4 . 1 1 63 63 GLU N N 63 124.640 124.640 128.783 -4.143 19694 1697 1 4 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.982 -0.155 19694 1698 1 4 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.545 1.475 19694 1699 1 4 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.658 0.652 19694 1700 1 4 . 1 1 63 63 GLU H H 63 9.040 9.040 8.449 0.591 19694 1701 1 4 . 1 1 64 64 ALA N N 64 117.050 117.050 117.896 -0.846 19694 1702 1 4 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.227 0.003 19694 1703 1 4 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.094 0.906 19694 1704 1 4 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.154 -0.274 19694 1705 1 4 . 1 1 64 64 ALA H H 64 8.680 8.680 8.310 0.370 19694 1706 1 4 . 1 1 65 65 CYS N N 65 115.380 115.380 116.845 -1.465 19694 1707 1 4 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.015 0.280 19694 1708 1 4 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.185 -0.335 19694 1709 1 4 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.070 5.769 19694 1710 1 4 . 1 1 65 65 CYS H H 65 7.490 7.490 8.097 -0.607 19694 1711 1 4 . 1 1 66 66 PHE N N 66 122.020 122.020 123.135 -1.115 19694 1712 1 4 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.897 -0.007 19694 1713 1 4 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.480 -1.470 19694 1714 1 4 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.180 -0.110 19694 1715 1 4 . 1 1 66 66 PHE H H 66 7.110 7.110 7.599 -0.489 19694 1716 1 4 . 1 1 67 67 HIS N N 67 121.280 121.280 121.995 -0.715 19694 1717 1 4 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.284 -0.564 19694 1718 1 4 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.809 -0.079 19694 1719 1 4 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.810 1.420 19694 1720 1 4 . 1 1 67 67 HIS H H 67 7.380 7.380 7.809 -0.429 19694 1721 1 4 . 1 1 68 68 CYS N N 68 121.590 121.590 118.852 2.738 19694 1722 1 4 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.948 -0.988 19694 1723 1 4 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.885 1.905 19694 1724 1 4 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.294 1.906 19694 1725 1 4 . 1 1 68 68 CYS H H 68 8.530 8.530 8.383 0.147 19694 1726 1 4 . 1 1 69 69 SER N N 69 126.530 126.530 120.138 6.392 19694 1727 1 4 . 1 1 69 69 SER HA H 69 4.310 4.310 4.070 0.240 19694 1728 1 4 . 1 1 69 69 SER CA C 69 61.760 61.760 60.774 0.986 19694 1729 1 4 . 1 1 69 69 SER CB C 69 64.040 64.040 63.341 0.699 19694 1730 1 4 . 1 1 69 69 SER H H 69 9.460 9.460 8.766 0.694 19694 1731 1 4 . 1 1 70 70 GLN N N 70 122.370 122.370 118.526 3.844 19694 1732 1 4 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.424 0.086 19694 1733 1 4 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.228 0.612 19694 1734 1 4 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.974 0.456 19694 1735 1 4 . 1 1 70 70 GLN H H 70 8.980 8.980 7.831 1.149 19694 1736 1 4 . 1 1 71 71 CYS N N 71 118.860 118.860 116.807 2.053 19694 1737 1 4 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.686 0.034 19694 1738 1 4 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.246 1.524 19694 1739 1 4 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.173 3.737 19694 1740 1 4 . 1 1 71 71 CYS H H 71 8.220 8.220 7.715 0.505 19694 1741 1 4 . 1 1 72 72 ARG N N 72 114.380 114.380 115.727 -1.347 19694 1742 1 4 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.760 0.205 19694 1743 1 4 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.220 0.810 19694 1744 1 4 . 1 1 72 72 ARG CB C 72 27.720 27.720 26.988 0.732 19694 1745 1 4 . 1 1 72 72 ARG H H 72 7.380 7.380 7.749 -0.369 19694 1746 1 4 . 1 1 73 73 ASN N N 73 121.480 121.480 116.434 5.046 19694 1747 1 4 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.646 -0.016 19694 1748 1 4 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.036 0.074 19694 1749 1 4 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.607 -0.737 19694 1750 1 4 . 1 1 73 73 ASN H H 73 8.722 8.722 8.152 0.570 19694 1751 1 4 . 1 1 74 74 SER N N 74 114.710 114.710 117.645 -2.935 19694 1752 1 4 . 1 1 74 74 SER HA H 74 4.060 4.060 4.822 -0.762 19694 1753 1 4 . 1 1 74 74 SER CA C 74 59.357 59.357 58.049 1.308 19694 1754 1 4 . 1 1 74 74 SER CB C 74 63.300 63.300 62.718 0.582 19694 1755 1 4 . 1 1 74 74 SER H H 74 8.690 8.690 8.505 0.185 19694 1756 1 4 . 1 1 75 75 LEU N N 75 125.757 125.757 127.024 -1.267 19694 1757 1 4 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.294 -0.014 19694 1758 1 4 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.811 -1.301 19694 1759 1 4 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.765 0.435 19694 1760 1 4 . 1 1 75 75 LEU H H 75 7.970 7.970 8.056 -0.086 19694 1761 1 4 . 1 1 76 76 VAL N N 76 120.860 120.860 124.365 -3.505 19694 1762 1 4 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.929 -0.359 19694 1763 1 4 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.923 4.497 19694 1764 1 4 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.824 -3.284 19694 1765 1 4 . 1 1 76 76 VAL H H 76 7.830 7.830 8.048 -0.218 19694 1766 1 4 . 1 1 77 77 ASP N N 77 122.360 122.360 121.990 0.370 19694 1767 1 4 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.444 -0.214 19694 1768 1 4 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.796 0.404 19694 1769 1 4 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.309 -0.929 19694 1770 1 4 . 1 1 77 77 ASP H H 77 8.910 8.910 8.470 0.440 19694 1771 1 4 . 1 1 78 78 LYS N N 78 118.100 118.100 119.023 -0.923 19694 1772 1 4 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.616 0.254 19694 1773 1 4 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.495 3.465 19694 1774 1 4 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.859 0.820 19694 1775 1 4 . 1 1 78 78 LYS H H 78 7.660 7.660 7.611 0.049 19694 1776 1 4 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.228 0.232 19694 1777 1 4 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.917 -0.397 19694 1778 1 4 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.896 0.264 19694 1779 1 4 . 1 1 80 80 PHE N N 80 114.050 114.050 117.095 -3.045 19694 1780 1 4 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.042 -0.132 19694 1781 1 4 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.176 0.884 19694 1782 1 4 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.895 0.515 19694 1783 1 4 . 1 1 80 80 PHE H H 80 7.510 7.510 7.236 0.274 19694 1784 1 4 . 1 1 81 81 ALA N N 81 123.290 123.290 123.493 -0.203 19694 1785 1 4 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.367 -0.057 19694 1786 1 4 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.412 0.038 19694 1787 1 4 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.893 3.027 19694 1788 1 4 . 1 1 81 81 ALA H H 81 9.030 9.030 8.924 0.106 19694 1789 1 4 . 1 1 82 82 ALA N N 82 122.490 122.490 128.363 -5.873 19694 1790 1 4 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.392 0.718 19694 1791 1 4 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.933 -0.833 19694 1792 1 4 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.814 2.316 19694 1793 1 4 . 1 1 82 82 ALA H H 82 8.240 8.240 8.592 -0.352 19694 1794 1 4 . 1 1 83 83 LYS N N 83 123.580 123.580 125.912 -2.332 19694 1795 1 4 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.465 0.025 19694 1796 1 4 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.584 0.216 19694 1797 1 4 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.108 0.612 19694 1798 1 4 . 1 1 83 83 LYS H H 83 8.400 8.400 8.294 0.106 19694 1799 1 4 . 1 1 84 84 GLU N N 84 125.470 125.470 120.093 5.377 19694 1800 1 4 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.120 -0.300 19694 1801 1 4 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.129 -0.509 19694 1802 1 4 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.561 -2.351 19694 1803 1 4 . 1 1 84 84 GLU H H 84 9.320 9.320 8.659 0.661 19694 1804 1 4 . 1 1 85 85 ASP N N 85 118.550 118.550 114.189 4.361 19694 1805 1 4 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.746 -0.146 19694 1806 1 4 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.043 1.357 19694 1807 1 4 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.069 -1.669 19694 1808 1 4 . 1 1 85 85 ASP H H 85 8.730 8.730 8.219 0.511 19694 1809 1 4 . 1 1 86 86 GLN N N 86 119.050 119.050 116.603 2.447 19694 1810 1 4 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.486 0.054 19694 1811 1 4 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.919 1.181 19694 1812 1 4 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.445 -0.335 19694 1813 1 4 . 1 1 86 86 GLN H H 86 8.170 8.170 7.658 0.512 19694 1814 1 4 . 1 1 87 87 LEU N N 87 123.110 123.110 121.392 1.718 19694 1815 1 4 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.191 -0.571 19694 1816 1 4 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.037 0.483 19694 1817 1 4 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.546 -1.846 19694 1818 1 4 . 1 1 87 87 LEU H H 87 8.490 8.490 8.510 -0.020 19694 1819 1 4 . 1 1 88 88 LEU N N 88 123.690 123.690 120.291 3.399 19694 1820 1 4 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.953 0.927 19694 1821 1 4 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.769 0.571 19694 1822 1 4 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.754 -0.564 19694 1823 1 4 . 1 1 88 88 LEU H H 88 8.930 8.930 8.248 0.682 19694 1824 1 4 . 1 1 89 89 CYS N N 89 122.270 122.270 118.958 3.312 19694 1825 1 4 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.848 -0.068 19694 1826 1 4 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.193 -1.553 19694 1827 1 4 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.017 2.923 19694 1828 1 4 . 1 1 89 89 CYS H H 89 9.430 9.430 9.095 0.335 19694 1829 1 4 . 1 1 90 90 THR N N 90 110.620 110.620 115.718 -5.098 19694 1830 1 4 . 1 1 90 90 THR HA H 90 3.900 3.900 3.953 -0.053 19694 1831 1 4 . 1 1 90 90 THR CA C 90 65.460 65.460 65.476 -0.016 19694 1832 1 4 . 1 1 90 90 THR CB C 90 68.670 68.670 68.759 -0.089 19694 1833 1 4 . 1 1 90 90 THR H H 90 8.410 8.410 8.813 -0.403 19694 1834 1 4 . 1 1 91 91 ASP N N 91 123.470 123.470 121.097 2.373 19694 1835 1 4 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.626 -0.136 19694 1836 1 4 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.010 0.800 19694 1837 1 4 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.440 0.720 19694 1838 1 4 . 1 1 91 91 ASP H H 91 8.150 8.150 8.192 -0.042 19694 1839 1 4 . 1 1 92 92 CYS N N 92 123.800 123.800 119.691 4.109 19694 1840 1 4 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.375 -0.405 19694 1841 1 4 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.346 2.755 19694 1842 1 4 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.141 3.949 19694 1843 1 4 . 1 1 92 92 CYS H H 92 8.580 8.580 7.838 0.742 19694 1844 1 4 . 1 1 93 93 TYR N N 93 120.730 120.730 121.125 -0.395 19694 1845 1 4 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.101 0.039 19694 1846 1 4 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.191 -0.810 19694 1847 1 4 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.044 1.256 19694 1848 1 4 . 1 1 93 93 TYR H H 93 8.540 8.540 9.105 -0.565 19694 1849 1 4 . 1 1 94 94 SER N N 94 115.010 115.010 113.267 1.743 19694 1850 1 4 . 1 1 94 94 SER HA H 94 4.220 4.220 4.140 0.080 19694 1851 1 4 . 1 1 94 94 SER CA C 94 59.300 59.300 61.105 -1.806 19694 1852 1 4 . 1 1 94 94 SER CB C 94 63.660 63.660 62.753 0.907 19694 1853 1 4 . 1 1 94 94 SER H H 94 7.750 7.750 8.093 -0.343 19694 1854 1 4 . 1 1 95 95 ASN N N 95 119.820 119.820 118.533 1.287 19694 1855 1 4 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.563 -0.053 19694 1856 1 4 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.434 -1.554 19694 1857 1 4 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.773 0.527 19694 1858 1 4 . 1 1 95 95 ASN H H 95 7.780 7.780 7.943 -0.163 19694 1859 1 4 . 1 1 96 96 GLU N N 96 119.820 119.820 118.207 1.613 19694 1860 1 4 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.135 -0.039 19694 1861 1 4 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.460 -0.550 19694 1862 1 4 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.742 0.478 19694 1863 1 4 . 1 1 96 96 GLU H H 96 7.950 7.950 7.801 0.149 19694 1864 1 4 . 1 1 97 97 TYR N N 97 120.370 120.370 120.629 -0.259 19694 1865 1 4 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.194 0.426 19694 1866 1 4 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.667 -1.967 19694 1867 1 4 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.684 0.026 19694 1868 1 4 . 1 1 97 97 TYR H H 97 8.070 8.070 8.089 -0.019 19694 1869 1 5 . 1 1 2 2 THR N N 2 113.570 113.570 116.306 -2.736 19694 1870 1 5 . 1 1 2 2 THR HA H 2 4.240 4.240 4.476 -0.236 19694 1871 1 5 . 1 1 2 2 THR CA C 2 62.130 62.130 62.356 -0.226 19694 1872 1 5 . 1 1 2 2 THR CB C 2 69.250 69.250 69.379 -0.129 19694 1873 1 5 . 1 1 2 2 THR H H 2 8.090 8.090 8.357 -0.267 19694 1874 1 5 . 1 1 3 3 GLU N N 3 122.880 122.880 121.271 1.609 19694 1875 1 5 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.154 0.126 19694 1876 1 5 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.798 0.062 19694 1877 1 5 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.294 0.276 19694 1878 1 5 . 1 1 3 3 GLU H H 3 8.280 8.280 8.098 0.182 19694 1879 1 5 . 1 1 4 4 ARG N N 4 121.330 121.330 119.787 1.543 19694 1880 1 5 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.543 -0.243 19694 1881 1 5 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.261 0.609 19694 1882 1 5 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.817 0.823 19694 1883 1 5 . 1 1 4 4 ARG H H 4 8.280 8.280 8.536 -0.256 19694 1884 1 5 . 1 1 5 5 PHE N N 5 125.490 125.490 124.835 0.655 19694 1885 1 5 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.573 0.037 19694 1886 1 5 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.823 -0.443 19694 1887 1 5 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.824 -0.264 19694 1888 1 5 . 1 1 5 5 PHE H H 5 8.290 8.290 8.722 -0.432 19694 1889 1 5 . 1 1 6 6 ASP N N 6 123.260 123.260 121.390 1.870 19694 1890 1 5 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.755 0.290 19694 1891 1 5 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.141 -0.961 19694 1892 1 5 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.975 -0.765 19694 1893 1 5 . 1 1 6 6 ASP H H 6 7.940 7.940 7.575 0.365 19694 1894 1 5 . 1 1 7 7 CYS N N 7 121.440 121.440 122.524 -1.084 19694 1895 1 5 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.450 -0.490 19694 1896 1 5 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.496 0.324 19694 1897 1 5 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.085 4.865 19694 1898 1 5 . 1 1 7 7 CYS H H 7 8.700 8.700 8.633 0.067 19694 1899 1 5 . 1 1 8 8 HIS N N 8 129.390 129.390 129.879 -0.489 19694 1900 1 5 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.264 -0.064 19694 1901 1 5 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.456 -1.216 19694 1902 1 5 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.006 -0.526 19694 1903 1 5 . 1 1 8 8 HIS H H 8 9.160 9.160 9.602 -0.442 19694 1904 1 5 . 1 1 9 9 HIS N N 9 118.740 118.740 116.746 1.994 19694 1905 1 5 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.356 0.524 19694 1906 1 5 . 1 1 9 9 HIS CA C 9 58.680 58.680 56.938 1.742 19694 1907 1 5 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.072 0.968 19694 1908 1 5 . 1 1 9 9 HIS H H 9 9.270 9.270 7.946 1.324 19694 1909 1 5 . 1 1 10 10 CYS N N 10 118.600 118.600 117.406 1.194 19694 1910 1 5 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.378 0.222 19694 1911 1 5 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.207 0.393 19694 1912 1 5 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.890 4.440 19694 1913 1 5 . 1 1 10 10 CYS H H 10 8.550 8.550 7.835 0.715 19694 1914 1 5 . 1 1 11 11 ASN N N 11 116.220 116.220 117.046 -0.826 19694 1915 1 5 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.393 0.017 19694 1916 1 5 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.491 1.149 19694 1917 1 5 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.502 1.698 19694 1918 1 5 . 1 1 11 11 ASN H H 11 7.690 7.690 8.675 -0.985 19694 1919 1 5 . 1 1 12 12 GLU N N 12 120.330 120.330 117.825 2.505 19694 1920 1 5 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.529 -0.309 19694 1921 1 5 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.788 1.912 19694 1922 1 5 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.896 0.014 19694 1923 1 5 . 1 1 12 12 GLU H H 12 8.210 8.210 7.640 0.570 19694 1924 1 5 . 1 1 13 13 SER N N 13 116.190 116.190 119.759 -3.569 19694 1925 1 5 . 1 1 13 13 SER HA H 13 4.060 4.060 4.464 -0.404 19694 1926 1 5 . 1 1 13 13 SER CA C 13 59.350 59.350 58.835 0.515 19694 1927 1 5 . 1 1 13 13 SER CB C 13 63.820 63.820 63.610 0.210 19694 1928 1 5 . 1 1 13 13 SER H H 13 8.520 8.520 8.706 -0.186 19694 1929 1 5 . 1 1 14 14 LEU N N 14 126.060 126.060 126.431 -0.371 19694 1930 1 5 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.333 -0.023 19694 1931 1 5 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.865 -1.765 19694 1932 1 5 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.816 0.384 19694 1933 1 5 . 1 1 14 14 LEU H H 14 8.910 8.910 7.749 1.161 19694 1934 1 5 . 1 1 15 15 PHE N N 15 120.660 120.660 121.058 -0.398 19694 1935 1 5 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.549 -0.069 19694 1936 1 5 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.810 3.590 19694 1937 1 5 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.450 0.680 19694 1938 1 5 . 1 1 15 15 PHE H H 15 7.820 7.820 8.558 -0.738 19694 1939 1 5 . 1 1 16 16 GLY N N 16 114.730 114.730 111.646 3.084 19694 1940 1 5 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.761 0.139 19694 1941 1 5 . 1 1 16 16 GLY H H 16 8.860 8.860 8.598 0.262 19694 1942 1 5 . 1 1 17 17 LYS N N 17 119.580 119.580 119.840 -0.260 19694 1943 1 5 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.490 -0.010 19694 1944 1 5 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.664 -0.204 19694 1945 1 5 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.027 1.773 19694 1946 1 5 . 1 1 17 17 LYS H H 17 8.030 8.030 7.250 0.780 19694 1947 1 5 . 1 1 18 18 LYS N N 18 120.330 120.330 121.612 -1.282 19694 1948 1 5 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.346 -0.066 19694 1949 1 5 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.472 -0.672 19694 1950 1 5 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.797 0.213 19694 1951 1 5 . 1 1 18 18 LYS H H 18 8.190 8.190 8.521 -0.331 19694 1952 1 5 . 1 1 19 19 TYR N N 19 117.500 117.500 114.307 3.193 19694 1953 1 5 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.734 0.506 19694 1954 1 5 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.421 -1.081 19694 1955 1 5 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.287 2.563 19694 1956 1 5 . 1 1 19 19 TYR H H 19 7.610 7.610 7.801 -0.191 19694 1957 1 5 . 1 1 20 20 ILE N N 20 121.430 121.430 121.860 -0.430 19694 1958 1 5 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.239 -0.102 19694 1959 1 5 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.103 -0.093 19694 1960 1 5 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.515 1.055 19694 1961 1 5 . 1 1 20 20 ILE H H 20 9.350 9.350 8.306 1.044 19694 1962 1 5 . 1 1 21 21 LEU N N 21 126.720 126.720 126.917 -0.197 19694 1963 1 5 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.529 0.561 19694 1964 1 5 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.317 -0.297 19694 1965 1 5 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.564 3.156 19694 1966 1 5 . 1 1 21 21 LEU H H 21 8.530 8.530 8.518 0.012 19694 1967 1 5 . 1 1 22 22 ARG N N 22 123.930 123.930 126.320 -2.390 19694 1968 1 5 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.497 -0.057 19694 1969 1 5 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.916 1.684 19694 1970 1 5 . 1 1 22 22 ARG CB C 22 32.280 32.280 31.903 0.377 19694 1971 1 5 . 1 1 22 22 ARG H H 22 9.080 9.080 9.130 -0.050 19694 1972 1 5 . 1 1 23 23 GLU N N 23 128.500 128.500 124.495 4.005 19694 1973 1 5 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.949 -0.109 19694 1974 1 5 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.886 0.144 19694 1975 1 5 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.769 -0.569 19694 1976 1 5 . 1 1 23 23 GLU H H 23 9.610 9.610 9.013 0.597 19694 1977 1 5 . 1 1 24 24 GLU N N 24 110.300 110.300 113.018 -2.718 19694 1978 1 5 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.964 -0.184 19694 1979 1 5 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.462 0.858 19694 1980 1 5 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.076 0.143 19694 1981 1 5 . 1 1 24 24 GLU H H 24 8.660 8.660 8.676 -0.016 19694 1982 1 5 . 1 1 25 25 SER N N 25 117.700 117.700 113.397 4.303 19694 1983 1 5 . 1 1 25 25 SER HA H 25 4.890 4.890 4.792 0.098 19694 1984 1 5 . 1 1 25 25 SER CA C 25 56.540 56.540 55.814 0.726 19694 1985 1 5 . 1 1 25 25 SER CB C 25 64.720 64.720 65.393 -0.673 19694 1986 1 5 . 1 1 25 25 SER H H 25 7.900 7.900 7.830 0.070 19694 1987 1 5 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.817 0.178 19694 1988 1 5 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.092 -1.342 19694 1989 1 5 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.776 0.884 19694 1990 1 5 . 1 1 27 27 TYR N N 27 118.100 118.100 123.980 -5.880 19694 1991 1 5 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.977 0.933 19694 1992 1 5 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.159 1.671 19694 1993 1 5 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.583 0.228 19694 1994 1 5 . 1 1 27 27 TYR H H 27 9.040 9.040 8.779 0.261 19694 1995 1 5 . 1 1 28 28 CYS N N 28 122.230 122.230 119.086 3.144 19694 1996 1 5 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.654 0.196 19694 1997 1 5 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.470 -0.360 19694 1998 1 5 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.067 1.463 19694 1999 1 5 . 1 1 28 28 CYS H H 28 9.850 9.850 8.294 1.556 19694 2000 1 5 . 1 1 29 29 VAL N N 29 118.200 118.200 123.276 -5.076 19694 2001 1 5 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.673 -0.023 19694 2002 1 5 . 1 1 29 29 VAL CA C 29 67.400 67.400 67.263 0.137 19694 2003 1 5 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.264 0.597 19694 2004 1 5 . 1 1 29 29 VAL H H 29 8.430 8.430 9.009 -0.579 19694 2005 1 5 . 1 1 30 30 VAL N N 30 119.570 119.570 118.712 0.858 19694 2006 1 5 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.627 0.233 19694 2007 1 5 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.546 -0.096 19694 2008 1 5 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.945 0.595 19694 2009 1 5 . 1 1 30 30 VAL H H 30 7.700 7.700 8.168 -0.468 19694 2010 1 5 . 1 1 31 31 CYS N N 31 125.890 125.890 119.338 6.552 19694 2011 1 5 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.907 -0.077 19694 2012 1 5 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.382 1.468 19694 2013 1 5 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.610 3.900 19694 2014 1 5 . 1 1 31 31 CYS H H 31 9.050 9.050 7.546 1.504 19694 2015 1 5 . 1 1 32 32 PHE N N 32 119.000 119.000 119.296 -0.296 19694 2016 1 5 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.719 0.061 19694 2017 1 5 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.795 0.815 19694 2018 1 5 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.061 0.859 19694 2019 1 5 . 1 1 32 32 PHE H H 32 9.080 9.080 7.888 1.192 19694 2020 1 5 . 1 1 33 33 GLU N N 33 117.470 117.470 118.061 -0.591 19694 2021 1 5 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.074 -0.314 19694 2022 1 5 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.422 -0.212 19694 2023 1 5 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.213 0.267 19694 2024 1 5 . 1 1 33 33 GLU H H 33 8.510 8.510 8.034 0.476 19694 2025 1 5 . 1 1 34 34 THR N N 34 114.140 114.140 115.604 -1.464 19694 2026 1 5 . 1 1 34 34 THR HA H 34 3.730 3.730 3.939 -0.209 19694 2027 1 5 . 1 1 34 34 THR CA C 34 65.890 65.890 66.023 -0.133 19694 2028 1 5 . 1 1 34 34 THR CB C 34 69.210 69.210 68.714 0.496 19694 2029 1 5 . 1 1 34 34 THR H H 34 7.880 7.880 8.318 -0.438 19694 2030 1 5 . 1 1 35 35 LEU N N 35 117.980 117.980 118.477 -0.497 19694 2031 1 5 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.963 -0.313 19694 2032 1 5 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.174 -0.314 19694 2033 1 5 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.719 0.151 19694 2034 1 5 . 1 1 35 35 LEU H H 35 7.660 7.660 7.706 -0.046 19694 2035 1 5 . 1 1 36 36 PHE N N 36 113.900 113.900 112.927 0.973 19694 2036 1 5 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.470 0.127 19694 2037 1 5 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.389 0.471 19694 2038 1 5 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.192 2.378 19694 2039 1 5 . 1 1 36 36 PHE H H 36 7.730 7.730 6.608 1.122 19694 2040 1 5 . 1 1 37 37 ALA N N 37 121.920 121.920 123.301 -1.381 19694 2041 1 5 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.066 0.004 19694 2042 1 5 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.307 0.593 19694 2043 1 5 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.630 0.140 19694 2044 1 5 . 1 1 37 37 ALA H H 37 7.090 7.090 7.782 -0.692 19694 2045 1 5 . 1 1 38 38 ASN N N 38 119.230 119.230 119.344 -0.114 19694 2046 1 5 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.633 -0.183 19694 2047 1 5 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.867 -0.017 19694 2048 1 5 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.660 -0.709 19694 2049 1 5 . 1 1 38 38 ASN H H 38 8.790 8.790 8.343 0.447 19694 2050 1 5 . 1 1 39 39 THR N N 39 116.330 116.330 115.880 0.450 19694 2051 1 5 . 1 1 39 39 THR HA H 39 3.990 3.990 4.313 -0.323 19694 2052 1 5 . 1 1 39 39 THR CA C 39 62.130 62.130 62.266 -0.136 19694 2053 1 5 . 1 1 39 39 THR CB C 39 69.920 69.920 69.922 -0.002 19694 2054 1 5 . 1 1 39 39 THR H H 39 8.540 8.540 8.175 0.365 19694 2055 1 5 . 1 1 40 40 CYS N N 40 126.950 126.950 128.126 -1.176 19694 2056 1 5 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.423 -0.123 19694 2057 1 5 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.314 1.036 19694 2058 1 5 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.709 4.891 19694 2059 1 5 . 1 1 40 40 CYS H H 40 7.940 7.940 8.546 -0.606 19694 2060 1 5 . 1 1 41 41 GLU N N 41 130.560 130.560 127.576 2.984 19694 2061 1 5 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.848 -0.158 19694 2062 1 5 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.091 -0.491 19694 2063 1 5 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.430 1.030 19694 2064 1 5 . 1 1 41 41 GLU H H 41 8.810 8.810 8.650 0.160 19694 2065 1 5 . 1 1 42 42 GLU N N 42 119.680 119.680 118.509 1.171 19694 2066 1 5 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.335 0.235 19694 2067 1 5 . 1 1 42 42 GLU CA C 42 58.000 58.000 57.970 0.030 19694 2068 1 5 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.611 1.069 19694 2069 1 5 . 1 1 42 42 GLU H H 42 8.500 8.500 8.065 0.435 19694 2070 1 5 . 1 1 43 43 CYS N N 43 115.600 115.600 116.301 -0.701 19694 2071 1 5 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.444 0.566 19694 2072 1 5 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.138 -1.328 19694 2073 1 5 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.570 3.010 19694 2074 1 5 . 1 1 43 43 CYS H H 43 8.120 8.120 7.995 0.125 19694 2075 1 5 . 1 1 44 44 GLY N N 44 112.100 112.100 107.838 4.262 19694 2076 1 5 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.229 1.191 19694 2077 1 5 . 1 1 44 44 GLY H H 44 7.900 7.900 8.579 -0.679 19694 2078 1 5 . 1 1 45 45 LYS N N 45 121.210 121.210 121.747 -0.537 19694 2079 1 5 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.628 0.212 19694 2080 1 5 . 1 1 45 45 LYS CA C 45 54.360 54.360 53.178 1.183 19694 2081 1 5 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.926 -0.496 19694 2082 1 5 . 1 1 45 45 LYS H H 45 8.180 8.180 7.865 0.315 19694 2083 1 5 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.573 -0.096 19694 2084 1 5 . 1 1 46 46 PRO CA C 46 62.700 62.700 62.988 -0.288 19694 2085 1 5 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.057 0.433 19694 2086 1 5 . 1 1 47 47 ILE N N 47 125.280 125.280 123.463 1.817 19694 2087 1 5 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.276 -0.446 19694 2088 1 5 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.838 0.202 19694 2089 1 5 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.289 0.151 19694 2090 1 5 . 1 1 47 47 ILE H H 47 8.540 8.540 8.906 -0.366 19694 2091 1 5 . 1 1 48 48 GLY N N 48 114.120 114.120 113.223 0.897 19694 2092 1 5 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.258 0.983 19694 2093 1 5 . 1 1 48 48 GLY H H 48 8.660 8.660 8.310 0.350 19694 2094 1 5 . 1 1 49 49 CYS N N 49 117.140 117.140 118.517 -1.377 19694 2095 1 5 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.278 0.002 19694 2096 1 5 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.769 0.111 19694 2097 1 5 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.488 0.162 19694 2098 1 5 . 1 1 49 49 CYS H H 49 9.210 9.210 8.549 0.661 19694 2099 1 5 . 1 1 50 50 ASP N N 50 119.300 119.300 120.401 -1.101 19694 2100 1 5 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.756 -0.136 19694 2101 1 5 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.522 -0.361 19694 2102 1 5 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.480 -0.100 19694 2103 1 5 . 1 1 50 50 ASP H H 50 8.800 8.800 8.458 0.342 19694 2104 1 5 . 1 1 51 51 CYS N N 51 118.150 118.150 116.409 1.741 19694 2105 1 5 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.667 -0.047 19694 2106 1 5 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.333 0.697 19694 2107 1 5 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.874 -1.784 19694 2108 1 5 . 1 1 51 51 CYS H H 51 7.590 7.590 7.290 0.300 19694 2109 1 5 . 1 1 52 52 LYS N N 52 123.800 123.800 122.954 0.846 19694 2110 1 5 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.380 -0.200 19694 2111 1 5 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.126 1.114 19694 2112 1 5 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.265 1.765 19694 2113 1 5 . 1 1 52 52 LYS H H 52 8.600 8.600 8.547 0.053 19694 2114 1 5 . 1 1 53 53 ASP N N 53 124.900 124.900 123.964 0.936 19694 2115 1 5 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.674 -0.444 19694 2116 1 5 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.227 -0.097 19694 2117 1 5 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.585 1.645 19694 2118 1 5 . 1 1 53 53 ASP H H 53 8.250 8.250 8.376 -0.126 19694 2119 1 5 . 1 1 54 54 LEU N N 54 130.160 130.160 124.980 5.180 19694 2120 1 5 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.583 -0.143 19694 2121 1 5 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.371 -2.031 19694 2122 1 5 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.035 -1.865 19694 2123 1 5 . 1 1 54 54 LEU H H 54 8.670 8.670 9.005 -0.335 19694 2124 1 5 . 1 1 55 55 SER N N 55 113.820 113.820 121.577 -7.757 19694 2125 1 5 . 1 1 55 55 SER HA H 55 5.580 5.580 5.084 0.496 19694 2126 1 5 . 1 1 55 55 SER CA C 55 55.850 55.850 56.603 -0.753 19694 2127 1 5 . 1 1 55 55 SER CB C 55 67.300 67.300 64.444 2.856 19694 2128 1 5 . 1 1 55 55 SER H H 55 8.160 8.160 8.498 -0.338 19694 2129 1 5 . 1 1 56 56 TYR N N 56 122.610 122.610 125.923 -3.313 19694 2130 1 5 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.616 0.004 19694 2131 1 5 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.850 -0.040 19694 2132 1 5 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.925 -0.925 19694 2133 1 5 . 1 1 56 56 TYR H H 56 8.450 8.450 8.691 -0.241 19694 2134 1 5 . 1 1 57 57 LYS N N 57 126.020 126.020 129.250 -3.230 19694 2135 1 5 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.905 -0.435 19694 2136 1 5 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.108 0.992 19694 2137 1 5 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.159 -2.679 19694 2138 1 5 . 1 1 57 57 LYS H H 57 8.920 8.920 8.568 0.352 19694 2139 1 5 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.205 -0.375 19694 2140 1 5 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.365 -0.465 19694 2141 1 5 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.528 -0.448 19694 2142 1 5 . 1 1 58 58 ASP H H 58 8.400 8.400 8.612 -0.212 19694 2143 1 5 . 1 1 59 59 ARG N N 59 121.190 121.190 116.500 4.690 19694 2144 1 5 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.333 -0.083 19694 2145 1 5 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.267 1.313 19694 2146 1 5 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.688 -0.228 19694 2147 1 5 . 1 1 59 59 ARG H H 59 7.980 7.980 7.281 0.699 19694 2148 1 5 . 1 1 60 60 HIS N N 60 118.420 118.420 117.576 0.844 19694 2149 1 5 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.603 -0.333 19694 2150 1 5 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.081 -0.071 19694 2151 1 5 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.447 -1.067 19694 2152 1 5 . 1 1 60 60 HIS H H 60 8.350 8.350 8.113 0.237 19694 2153 1 5 . 1 1 61 61 TRP N N 61 119.990 119.990 118.323 1.667 19694 2154 1 5 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.786 1.144 19694 2155 1 5 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.100 0.300 19694 2156 1 5 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.167 1.213 19694 2157 1 5 . 1 1 61 61 TRP H H 61 9.310 9.310 9.264 0.046 19694 2158 1 5 . 1 1 62 62 HIS N N 62 117.270 117.270 121.599 -4.329 19694 2159 1 5 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.843 -0.243 19694 2160 1 5 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.503 1.707 19694 2161 1 5 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.481 0.719 19694 2162 1 5 . 1 1 62 62 HIS H H 62 8.430 8.430 9.171 -0.741 19694 2163 1 5 . 1 1 63 63 GLU N N 63 124.640 124.640 128.808 -4.168 19694 2164 1 5 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.969 -0.142 19694 2165 1 5 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.667 1.353 19694 2166 1 5 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.721 0.589 19694 2167 1 5 . 1 1 63 63 GLU H H 63 9.040 9.040 8.416 0.624 19694 2168 1 5 . 1 1 64 64 ALA N N 64 117.050 117.050 117.933 -0.883 19694 2169 1 5 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.311 -0.081 19694 2170 1 5 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.131 0.869 19694 2171 1 5 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.036 -0.156 19694 2172 1 5 . 1 1 64 64 ALA H H 64 8.680 8.680 8.337 0.343 19694 2173 1 5 . 1 1 65 65 CYS N N 65 115.380 115.380 117.163 -1.783 19694 2174 1 5 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.265 0.030 19694 2175 1 5 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.393 -0.543 19694 2176 1 5 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.010 5.830 19694 2177 1 5 . 1 1 65 65 CYS H H 65 7.490 7.490 8.143 -0.653 19694 2178 1 5 . 1 1 66 66 PHE N N 66 122.020 122.020 122.959 -0.939 19694 2179 1 5 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.708 0.182 19694 2180 1 5 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.480 -1.470 19694 2181 1 5 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.178 -0.108 19694 2182 1 5 . 1 1 66 66 PHE H H 66 7.110 7.110 7.547 -0.437 19694 2183 1 5 . 1 1 67 67 HIS N N 67 121.280 121.280 121.720 -0.440 19694 2184 1 5 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.182 -0.462 19694 2185 1 5 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.263 -0.533 19694 2186 1 5 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.868 1.362 19694 2187 1 5 . 1 1 67 67 HIS H H 67 7.380 7.380 7.299 0.081 19694 2188 1 5 . 1 1 68 68 CYS N N 68 121.590 121.590 118.954 2.636 19694 2189 1 5 . 1 1 68 68 CYS HA H 68 3.960 3.960 5.009 -1.049 19694 2190 1 5 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.966 1.824 19694 2191 1 5 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.605 1.595 19694 2192 1 5 . 1 1 68 68 CYS H H 68 8.530 8.530 8.361 0.169 19694 2193 1 5 . 1 1 69 69 SER N N 69 126.530 126.530 120.978 5.552 19694 2194 1 5 . 1 1 69 69 SER HA H 69 4.310 4.310 4.161 0.149 19694 2195 1 5 . 1 1 69 69 SER CA C 69 61.760 61.760 61.001 0.759 19694 2196 1 5 . 1 1 69 69 SER CB C 69 64.040 64.040 63.174 0.866 19694 2197 1 5 . 1 1 69 69 SER H H 69 9.460 9.460 8.826 0.634 19694 2198 1 5 . 1 1 70 70 GLN N N 70 122.370 122.370 118.727 3.643 19694 2199 1 5 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.437 0.073 19694 2200 1 5 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.297 0.543 19694 2201 1 5 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.518 0.912 19694 2202 1 5 . 1 1 70 70 GLN H H 70 8.980 8.980 7.861 1.119 19694 2203 1 5 . 1 1 71 71 CYS N N 71 118.860 118.860 116.487 2.373 19694 2204 1 5 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.656 0.064 19694 2205 1 5 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.380 1.390 19694 2206 1 5 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.291 3.619 19694 2207 1 5 . 1 1 71 71 CYS H H 71 8.220 8.220 7.742 0.478 19694 2208 1 5 . 1 1 72 72 ARG N N 72 114.380 114.380 115.897 -1.517 19694 2209 1 5 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.764 0.201 19694 2210 1 5 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.129 0.901 19694 2211 1 5 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.051 0.669 19694 2212 1 5 . 1 1 72 72 ARG H H 72 7.380 7.380 7.886 -0.506 19694 2213 1 5 . 1 1 73 73 ASN N N 73 121.480 121.480 116.640 4.840 19694 2214 1 5 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.628 0.002 19694 2215 1 5 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.791 0.319 19694 2216 1 5 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.618 -0.748 19694 2217 1 5 . 1 1 73 73 ASN H H 73 8.722 8.722 8.014 0.708 19694 2218 1 5 . 1 1 74 74 SER N N 74 114.710 114.710 117.937 -3.227 19694 2219 1 5 . 1 1 74 74 SER HA H 74 4.060 4.060 4.818 -0.758 19694 2220 1 5 . 1 1 74 74 SER CA C 74 59.357 59.357 57.977 1.381 19694 2221 1 5 . 1 1 74 74 SER CB C 74 63.300 63.300 63.231 0.069 19694 2222 1 5 . 1 1 74 74 SER H H 74 8.690 8.690 8.517 0.173 19694 2223 1 5 . 1 1 75 75 LEU N N 75 125.757 125.757 128.816 -3.059 19694 2224 1 5 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.319 -0.039 19694 2225 1 5 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.680 -1.170 19694 2226 1 5 . 1 1 75 75 LEU CB C 75 42.200 42.200 42.231 -0.031 19694 2227 1 5 . 1 1 75 75 LEU H H 75 7.970 7.970 7.984 -0.014 19694 2228 1 5 . 1 1 76 76 VAL N N 76 120.860 120.860 123.532 -2.672 19694 2229 1 5 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.861 -0.291 19694 2230 1 5 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.708 4.712 19694 2231 1 5 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.971 -4.431 19694 2232 1 5 . 1 1 76 76 VAL H H 76 7.830 7.830 7.991 -0.161 19694 2233 1 5 . 1 1 77 77 ASP N N 77 122.360 122.360 123.157 -0.797 19694 2234 1 5 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.451 -0.221 19694 2235 1 5 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.778 0.422 19694 2236 1 5 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.812 -1.433 19694 2237 1 5 . 1 1 77 77 ASP H H 77 8.910 8.910 8.468 0.442 19694 2238 1 5 . 1 1 78 78 LYS N N 78 118.100 118.100 118.532 -0.432 19694 2239 1 5 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.587 0.283 19694 2240 1 5 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.734 3.226 19694 2241 1 5 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.685 0.995 19694 2242 1 5 . 1 1 78 78 LYS H H 78 7.660 7.660 7.589 0.071 19694 2243 1 5 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.217 0.243 19694 2244 1 5 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.864 -0.344 19694 2245 1 5 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.962 0.198 19694 2246 1 5 . 1 1 80 80 PHE N N 80 114.050 114.050 117.155 -3.105 19694 2247 1 5 . 1 1 80 80 PHE HA H 80 4.910 4.910 4.939 -0.029 19694 2248 1 5 . 1 1 80 80 PHE CA C 80 56.060 56.060 54.967 1.093 19694 2249 1 5 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.531 0.879 19694 2250 1 5 . 1 1 80 80 PHE H H 80 7.510 7.510 7.047 0.463 19694 2251 1 5 . 1 1 81 81 ALA N N 81 123.290 123.290 123.418 -0.128 19694 2252 1 5 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.360 -0.050 19694 2253 1 5 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.431 0.019 19694 2254 1 5 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.827 3.093 19694 2255 1 5 . 1 1 81 81 ALA H H 81 9.030 9.030 8.977 0.053 19694 2256 1 5 . 1 1 82 82 ALA N N 82 122.490 122.490 128.708 -6.218 19694 2257 1 5 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.392 0.718 19694 2258 1 5 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.917 -0.817 19694 2259 1 5 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.799 2.331 19694 2260 1 5 . 1 1 82 82 ALA H H 82 8.240 8.240 8.598 -0.358 19694 2261 1 5 . 1 1 83 83 LYS N N 83 123.580 123.580 125.995 -2.415 19694 2262 1 5 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.493 -0.003 19694 2263 1 5 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.402 0.398 19694 2264 1 5 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.080 0.640 19694 2265 1 5 . 1 1 83 83 LYS H H 83 8.400 8.400 8.323 0.077 19694 2266 1 5 . 1 1 84 84 GLU N N 84 125.470 125.470 120.439 5.031 19694 2267 1 5 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.122 -0.302 19694 2268 1 5 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.980 -0.360 19694 2269 1 5 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.720 -2.510 19694 2270 1 5 . 1 1 84 84 GLU H H 84 9.320 9.320 8.787 0.533 19694 2271 1 5 . 1 1 85 85 ASP N N 85 118.550 118.550 114.466 4.084 19694 2272 1 5 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.795 -0.195 19694 2273 1 5 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.827 1.573 19694 2274 1 5 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.002 -1.602 19694 2275 1 5 . 1 1 85 85 ASP H H 85 8.730 8.730 8.392 0.338 19694 2276 1 5 . 1 1 86 86 GLN N N 86 119.050 119.050 116.845 2.205 19694 2277 1 5 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.525 0.015 19694 2278 1 5 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.812 1.288 19694 2279 1 5 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.589 -0.479 19694 2280 1 5 . 1 1 86 86 GLN H H 86 8.170 8.170 7.656 0.514 19694 2281 1 5 . 1 1 87 87 LEU N N 87 123.110 123.110 121.421 1.689 19694 2282 1 5 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.188 -0.568 19694 2283 1 5 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.045 0.475 19694 2284 1 5 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.480 -1.780 19694 2285 1 5 . 1 1 87 87 LEU H H 87 8.490 8.490 8.539 -0.049 19694 2286 1 5 . 1 1 88 88 LEU N N 88 123.690 123.690 120.320 3.370 19694 2287 1 5 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.971 0.909 19694 2288 1 5 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.797 0.543 19694 2289 1 5 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.774 -0.584 19694 2290 1 5 . 1 1 88 88 LEU H H 88 8.930 8.930 8.304 0.626 19694 2291 1 5 . 1 1 89 89 CYS N N 89 122.270 122.270 119.587 2.683 19694 2292 1 5 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.872 -0.092 19694 2293 1 5 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.051 -1.411 19694 2294 1 5 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.322 2.618 19694 2295 1 5 . 1 1 89 89 CYS H H 89 9.430 9.430 9.065 0.365 19694 2296 1 5 . 1 1 90 90 THR N N 90 110.620 110.620 116.439 -5.819 19694 2297 1 5 . 1 1 90 90 THR HA H 90 3.900 3.900 3.980 -0.080 19694 2298 1 5 . 1 1 90 90 THR CA C 90 65.460 65.460 65.843 -0.383 19694 2299 1 5 . 1 1 90 90 THR CB C 90 68.670 68.670 68.600 0.070 19694 2300 1 5 . 1 1 90 90 THR H H 90 8.410 8.410 8.898 -0.488 19694 2301 1 5 . 1 1 91 91 ASP N N 91 123.470 123.470 122.427 1.043 19694 2302 1 5 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.638 -0.148 19694 2303 1 5 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.216 0.594 19694 2304 1 5 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.468 0.693 19694 2305 1 5 . 1 1 91 91 ASP H H 91 8.150 8.150 8.482 -0.332 19694 2306 1 5 . 1 1 92 92 CYS N N 92 123.800 123.800 119.504 4.296 19694 2307 1 5 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.297 -0.327 19694 2308 1 5 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.520 2.580 19694 2309 1 5 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.971 4.119 19694 2310 1 5 . 1 1 92 92 CYS H H 92 8.580 8.580 7.650 0.930 19694 2311 1 5 . 1 1 93 93 TYR N N 93 120.730 120.730 120.977 -0.247 19694 2312 1 5 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.073 0.067 19694 2313 1 5 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.479 -1.099 19694 2314 1 5 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.327 0.973 19694 2315 1 5 . 1 1 93 93 TYR H H 93 8.540 8.540 9.165 -0.625 19694 2316 1 5 . 1 1 94 94 SER N N 94 115.010 115.010 113.040 1.970 19694 2317 1 5 . 1 1 94 94 SER HA H 94 4.220 4.220 4.229 -0.009 19694 2318 1 5 . 1 1 94 94 SER CA C 94 59.300 59.300 60.829 -1.529 19694 2319 1 5 . 1 1 94 94 SER CB C 94 63.660 63.660 62.612 1.048 19694 2320 1 5 . 1 1 94 94 SER H H 94 7.750 7.750 8.086 -0.336 19694 2321 1 5 . 1 1 95 95 ASN N N 95 119.820 119.820 118.413 1.407 19694 2322 1 5 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.589 -0.079 19694 2323 1 5 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.214 -1.334 19694 2324 1 5 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.839 0.461 19694 2325 1 5 . 1 1 95 95 ASN H H 95 7.780 7.780 7.890 -0.110 19694 2326 1 5 . 1 1 96 96 GLU N N 96 119.820 119.820 118.359 1.461 19694 2327 1 5 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.205 -0.109 19694 2328 1 5 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.080 -0.170 19694 2329 1 5 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.145 1.075 19694 2330 1 5 . 1 1 96 96 GLU H H 96 7.950 7.950 7.753 0.197 19694 2331 1 5 . 1 1 97 97 TYR N N 97 120.370 120.370 119.921 0.449 19694 2332 1 5 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.083 0.537 19694 2333 1 5 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.601 -1.901 19694 2334 1 5 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.375 0.335 19694 2335 1 5 . 1 1 97 97 TYR H H 97 8.070 8.070 8.336 -0.266 19694 2336 1 6 . 1 1 2 2 THR N N 2 113.570 113.570 116.125 -2.555 19694 2337 1 6 . 1 1 2 2 THR HA H 2 4.240 4.240 4.244 -0.004 19694 2338 1 6 . 1 1 2 2 THR CA C 2 62.130 62.130 63.101 -0.971 19694 2339 1 6 . 1 1 2 2 THR CB C 2 69.250 69.250 69.230 0.020 19694 2340 1 6 . 1 1 2 2 THR H H 2 8.090 8.090 8.505 -0.415 19694 2341 1 6 . 1 1 3 3 GLU N N 3 122.880 122.880 120.802 2.078 19694 2342 1 6 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.143 0.137 19694 2343 1 6 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.687 0.173 19694 2344 1 6 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.213 0.357 19694 2345 1 6 . 1 1 3 3 GLU H H 3 8.280 8.280 8.034 0.246 19694 2346 1 6 . 1 1 4 4 ARG N N 4 121.330 121.330 119.408 1.922 19694 2347 1 6 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.537 -0.237 19694 2348 1 6 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.130 0.740 19694 2349 1 6 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.705 0.935 19694 2350 1 6 . 1 1 4 4 ARG H H 4 8.280 8.280 8.529 -0.249 19694 2351 1 6 . 1 1 5 5 PHE N N 5 125.490 125.490 125.875 -0.385 19694 2352 1 6 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.539 0.071 19694 2353 1 6 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.300 0.081 19694 2354 1 6 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.461 0.099 19694 2355 1 6 . 1 1 5 5 PHE H H 5 8.290 8.290 8.803 -0.513 19694 2356 1 6 . 1 1 6 6 ASP N N 6 123.260 123.260 121.354 1.906 19694 2357 1 6 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.828 0.217 19694 2358 1 6 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.243 -1.063 19694 2359 1 6 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.590 -0.380 19694 2360 1 6 . 1 1 6 6 ASP H H 6 7.940 7.940 7.569 0.371 19694 2361 1 6 . 1 1 7 7 CYS N N 7 121.440 121.440 122.907 -1.467 19694 2362 1 6 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.415 -0.455 19694 2363 1 6 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.687 0.133 19694 2364 1 6 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.213 4.737 19694 2365 1 6 . 1 1 7 7 CYS H H 7 8.700 8.700 8.611 0.089 19694 2366 1 6 . 1 1 8 8 HIS N N 8 129.390 129.390 129.560 -0.170 19694 2367 1 6 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.173 0.027 19694 2368 1 6 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.363 -1.123 19694 2369 1 6 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.142 -0.662 19694 2370 1 6 . 1 1 8 8 HIS H H 8 9.160 9.160 9.618 -0.458 19694 2371 1 6 . 1 1 9 9 HIS N N 9 118.740 118.740 117.462 1.278 19694 2372 1 6 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.341 0.539 19694 2373 1 6 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.105 1.575 19694 2374 1 6 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.162 0.878 19694 2375 1 6 . 1 1 9 9 HIS H H 9 9.270 9.270 7.949 1.321 19694 2376 1 6 . 1 1 10 10 CYS N N 10 118.600 118.600 117.238 1.362 19694 2377 1 6 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.391 0.209 19694 2378 1 6 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.070 0.530 19694 2379 1 6 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.803 4.527 19694 2380 1 6 . 1 1 10 10 CYS H H 10 8.550 8.550 7.804 0.746 19694 2381 1 6 . 1 1 11 11 ASN N N 11 116.220 116.220 118.262 -2.042 19694 2382 1 6 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.396 0.014 19694 2383 1 6 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.604 1.036 19694 2384 1 6 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.869 0.331 19694 2385 1 6 . 1 1 11 11 ASN H H 11 7.690 7.690 8.632 -0.942 19694 2386 1 6 . 1 1 12 12 GLU N N 12 120.330 120.330 117.567 2.763 19694 2387 1 6 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.471 -0.251 19694 2388 1 6 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.226 1.474 19694 2389 1 6 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.718 0.192 19694 2390 1 6 . 1 1 12 12 GLU H H 12 8.210 8.210 7.626 0.584 19694 2391 1 6 . 1 1 13 13 SER N N 13 116.190 116.190 119.825 -3.635 19694 2392 1 6 . 1 1 13 13 SER HA H 13 4.060 4.060 4.463 -0.403 19694 2393 1 6 . 1 1 13 13 SER CA C 13 59.350 59.350 58.984 0.366 19694 2394 1 6 . 1 1 13 13 SER CB C 13 63.820 63.820 63.616 0.204 19694 2395 1 6 . 1 1 13 13 SER H H 13 8.520 8.520 8.666 -0.146 19694 2396 1 6 . 1 1 14 14 LEU N N 14 126.060 126.060 126.719 -0.659 19694 2397 1 6 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.337 -0.027 19694 2398 1 6 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.763 -1.663 19694 2399 1 6 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.617 0.583 19694 2400 1 6 . 1 1 14 14 LEU H H 14 8.910 8.910 7.762 1.148 19694 2401 1 6 . 1 1 15 15 PHE N N 15 120.660 120.660 120.832 -0.172 19694 2402 1 6 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.613 -0.133 19694 2403 1 6 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.314 4.086 19694 2404 1 6 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.012 0.118 19694 2405 1 6 . 1 1 15 15 PHE H H 15 7.820 7.820 8.511 -0.691 19694 2406 1 6 . 1 1 16 16 GLY N N 16 114.730 114.730 110.953 3.777 19694 2407 1 6 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.840 0.060 19694 2408 1 6 . 1 1 16 16 GLY H H 16 8.860 8.860 8.820 0.040 19694 2409 1 6 . 1 1 17 17 LYS N N 17 119.580 119.580 120.181 -0.601 19694 2410 1 6 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.506 -0.026 19694 2411 1 6 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.505 -0.045 19694 2412 1 6 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.159 1.641 19694 2413 1 6 . 1 1 17 17 LYS H H 17 8.030 8.030 7.229 0.801 19694 2414 1 6 . 1 1 18 18 LYS N N 18 120.330 120.330 122.694 -2.364 19694 2415 1 6 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.346 -0.066 19694 2416 1 6 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.292 -0.492 19694 2417 1 6 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.828 0.182 19694 2418 1 6 . 1 1 18 18 LYS H H 18 8.190 8.190 8.466 -0.277 19694 2419 1 6 . 1 1 19 19 TYR N N 19 117.500 117.500 115.531 1.969 19694 2420 1 6 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.815 0.425 19694 2421 1 6 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.145 -0.805 19694 2422 1 6 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.184 2.666 19694 2423 1 6 . 1 1 19 19 TYR H H 19 7.610 7.610 7.868 -0.258 19694 2424 1 6 . 1 1 20 20 ILE N N 20 121.430 121.430 121.775 -0.345 19694 2425 1 6 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.240 -0.103 19694 2426 1 6 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.129 -0.119 19694 2427 1 6 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.501 1.069 19694 2428 1 6 . 1 1 20 20 ILE H H 20 9.350 9.350 8.316 1.034 19694 2429 1 6 . 1 1 21 21 LEU N N 21 126.720 126.720 126.984 -0.264 19694 2430 1 6 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.533 0.557 19694 2431 1 6 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.317 -0.297 19694 2432 1 6 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.544 3.176 19694 2433 1 6 . 1 1 21 21 LEU H H 21 8.530 8.530 8.527 0.003 19694 2434 1 6 . 1 1 22 22 ARG N N 22 123.930 123.930 125.636 -1.706 19694 2435 1 6 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.531 -0.091 19694 2436 1 6 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.939 1.661 19694 2437 1 6 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.034 0.246 19694 2438 1 6 . 1 1 22 22 ARG H H 22 9.080 9.080 9.064 0.016 19694 2439 1 6 . 1 1 23 23 GLU N N 23 128.500 128.500 125.359 3.141 19694 2440 1 6 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.962 -0.122 19694 2441 1 6 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.778 0.252 19694 2442 1 6 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.781 -0.581 19694 2443 1 6 . 1 1 23 23 GLU H H 23 9.610 9.610 9.021 0.589 19694 2444 1 6 . 1 1 24 24 GLU N N 24 110.300 110.300 113.131 -2.831 19694 2445 1 6 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.902 -0.122 19694 2446 1 6 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.534 0.786 19694 2447 1 6 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.500 -0.280 19694 2448 1 6 . 1 1 24 24 GLU H H 24 8.660 8.660 8.641 0.019 19694 2449 1 6 . 1 1 25 25 SER N N 25 117.700 117.700 113.029 4.671 19694 2450 1 6 . 1 1 25 25 SER HA H 25 4.890 4.890 4.814 0.076 19694 2451 1 6 . 1 1 25 25 SER CA C 25 56.540 56.540 55.577 0.963 19694 2452 1 6 . 1 1 25 25 SER CB C 25 64.720 64.720 65.248 -0.528 19694 2453 1 6 . 1 1 25 25 SER H H 25 7.900 7.900 7.843 0.057 19694 2454 1 6 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.838 0.157 19694 2455 1 6 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.130 -1.380 19694 2456 1 6 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.612 1.048 19694 2457 1 6 . 1 1 27 27 TYR N N 27 118.100 118.100 123.998 -5.898 19694 2458 1 6 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.976 0.934 19694 2459 1 6 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.157 1.673 19694 2460 1 6 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.610 0.200 19694 2461 1 6 . 1 1 27 27 TYR H H 27 9.040 9.040 8.759 0.281 19694 2462 1 6 . 1 1 28 28 CYS N N 28 122.230 122.230 119.658 2.572 19694 2463 1 6 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.667 0.183 19694 2464 1 6 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.440 -0.330 19694 2465 1 6 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.134 1.396 19694 2466 1 6 . 1 1 28 28 CYS H H 28 9.850 9.850 8.341 1.509 19694 2467 1 6 . 1 1 29 29 VAL N N 29 118.200 118.200 122.350 -4.150 19694 2468 1 6 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.717 -0.067 19694 2469 1 6 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.719 0.681 19694 2470 1 6 . 1 1 29 29 VAL CB C 29 31.860 31.860 30.794 1.066 19694 2471 1 6 . 1 1 29 29 VAL H H 29 8.430 8.430 9.057 -0.627 19694 2472 1 6 . 1 1 30 30 VAL N N 30 119.570 119.570 118.616 0.954 19694 2473 1 6 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.629 0.231 19694 2474 1 6 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.079 0.371 19694 2475 1 6 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.384 1.156 19694 2476 1 6 . 1 1 30 30 VAL H H 30 7.700 7.700 8.250 -0.550 19694 2477 1 6 . 1 1 31 31 CYS N N 31 125.890 125.890 119.575 6.315 19694 2478 1 6 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.917 -0.087 19694 2479 1 6 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.299 1.551 19694 2480 1 6 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.576 3.934 19694 2481 1 6 . 1 1 31 31 CYS H H 31 9.050 9.050 7.570 1.480 19694 2482 1 6 . 1 1 32 32 PHE N N 32 119.000 119.000 119.225 -0.225 19694 2483 1 6 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.704 0.076 19694 2484 1 6 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.907 0.703 19694 2485 1 6 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.075 0.845 19694 2486 1 6 . 1 1 32 32 PHE H H 32 9.080 9.080 7.888 1.192 19694 2487 1 6 . 1 1 33 33 GLU N N 33 117.470 117.470 117.914 -0.444 19694 2488 1 6 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.005 -0.245 19694 2489 1 6 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.456 -0.246 19694 2490 1 6 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.424 0.056 19694 2491 1 6 . 1 1 33 33 GLU H H 33 8.510 8.510 7.926 0.584 19694 2492 1 6 . 1 1 34 34 THR N N 34 114.140 114.140 115.174 -1.034 19694 2493 1 6 . 1 1 34 34 THR HA H 34 3.730 3.730 3.939 -0.209 19694 2494 1 6 . 1 1 34 34 THR CA C 34 65.890 65.890 66.156 -0.266 19694 2495 1 6 . 1 1 34 34 THR CB C 34 69.210 69.210 68.743 0.466 19694 2496 1 6 . 1 1 34 34 THR H H 34 7.880 7.880 8.162 -0.282 19694 2497 1 6 . 1 1 35 35 LEU N N 35 117.980 117.980 118.460 -0.480 19694 2498 1 6 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.962 -0.312 19694 2499 1 6 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.167 -0.307 19694 2500 1 6 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.723 0.147 19694 2501 1 6 . 1 1 35 35 LEU H H 35 7.660 7.660 7.709 -0.049 19694 2502 1 6 . 1 1 36 36 PHE N N 36 113.900 113.900 114.079 -0.179 19694 2503 1 6 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.418 0.179 19694 2504 1 6 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.343 0.517 19694 2505 1 6 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.121 2.449 19694 2506 1 6 . 1 1 36 36 PHE H H 36 7.730 7.730 6.614 1.116 19694 2507 1 6 . 1 1 37 37 ALA N N 37 121.920 121.920 123.383 -1.463 19694 2508 1 6 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.092 -0.022 19694 2509 1 6 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.373 0.527 19694 2510 1 6 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.702 0.068 19694 2511 1 6 . 1 1 37 37 ALA H H 37 7.090 7.090 7.905 -0.815 19694 2512 1 6 . 1 1 38 38 ASN N N 38 119.230 119.230 118.588 0.642 19694 2513 1 6 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.626 -0.176 19694 2514 1 6 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.522 0.328 19694 2515 1 6 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.748 -0.798 19694 2516 1 6 . 1 1 38 38 ASN H H 38 8.790 8.790 8.238 0.552 19694 2517 1 6 . 1 1 39 39 THR N N 39 116.330 116.330 115.852 0.478 19694 2518 1 6 . 1 1 39 39 THR HA H 39 3.990 3.990 4.470 -0.480 19694 2519 1 6 . 1 1 39 39 THR CA C 39 62.130 62.130 62.318 -0.188 19694 2520 1 6 . 1 1 39 39 THR CB C 39 69.920 69.920 69.529 0.391 19694 2521 1 6 . 1 1 39 39 THR H H 39 8.540 8.540 8.194 0.346 19694 2522 1 6 . 1 1 40 40 CYS N N 40 126.950 126.950 128.055 -1.105 19694 2523 1 6 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.420 -0.120 19694 2524 1 6 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.094 1.256 19694 2525 1 6 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.627 4.973 19694 2526 1 6 . 1 1 40 40 CYS H H 40 7.940 7.940 8.456 -0.516 19694 2527 1 6 . 1 1 41 41 GLU N N 41 130.560 130.560 127.581 2.979 19694 2528 1 6 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.844 -0.154 19694 2529 1 6 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.128 -0.528 19694 2530 1 6 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.437 1.023 19694 2531 1 6 . 1 1 41 41 GLU H H 41 8.810 8.810 8.660 0.150 19694 2532 1 6 . 1 1 42 42 GLU N N 42 119.680 119.680 118.389 1.291 19694 2533 1 6 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.342 0.228 19694 2534 1 6 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.105 -0.105 19694 2535 1 6 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.522 1.158 19694 2536 1 6 . 1 1 42 42 GLU H H 42 8.500 8.500 8.093 0.407 19694 2537 1 6 . 1 1 43 43 CYS N N 43 115.600 115.600 116.421 -0.821 19694 2538 1 6 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.536 0.474 19694 2539 1 6 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.180 -1.370 19694 2540 1 6 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.142 2.438 19694 2541 1 6 . 1 1 43 43 CYS H H 43 8.120 8.120 7.977 0.143 19694 2542 1 6 . 1 1 44 44 GLY N N 44 112.100 112.100 106.948 5.152 19694 2543 1 6 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.340 1.081 19694 2544 1 6 . 1 1 44 44 GLY H H 44 7.900 7.900 8.607 -0.707 19694 2545 1 6 . 1 1 45 45 LYS N N 45 121.210 121.210 121.995 -0.785 19694 2546 1 6 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.728 0.112 19694 2547 1 6 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.892 1.468 19694 2548 1 6 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.588 -0.158 19694 2549 1 6 . 1 1 45 45 LYS H H 45 8.180 8.180 7.860 0.320 19694 2550 1 6 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.630 -0.153 19694 2551 1 6 . 1 1 46 46 PRO CA C 46 62.700 62.700 62.958 -0.258 19694 2552 1 6 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.114 0.376 19694 2553 1 6 . 1 1 47 47 ILE N N 47 125.280 125.280 122.941 2.339 19694 2554 1 6 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.313 -0.483 19694 2555 1 6 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.669 0.371 19694 2556 1 6 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.839 -0.399 19694 2557 1 6 . 1 1 47 47 ILE H H 47 8.540 8.540 8.889 -0.349 19694 2558 1 6 . 1 1 48 48 GLY N N 48 114.120 114.120 113.739 0.381 19694 2559 1 6 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.485 0.755 19694 2560 1 6 . 1 1 48 48 GLY H H 48 8.660 8.660 8.603 0.057 19694 2561 1 6 . 1 1 49 49 CYS N N 49 117.140 117.140 120.209 -3.069 19694 2562 1 6 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.491 -0.211 19694 2563 1 6 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.510 1.370 19694 2564 1 6 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.286 0.364 19694 2565 1 6 . 1 1 49 49 CYS H H 49 9.210 9.210 8.603 0.607 19694 2566 1 6 . 1 1 50 50 ASP N N 50 119.300 119.300 121.338 -2.038 19694 2567 1 6 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.696 -0.076 19694 2568 1 6 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.901 -0.741 19694 2569 1 6 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.286 0.094 19694 2570 1 6 . 1 1 50 50 ASP H H 50 8.800 8.800 8.536 0.264 19694 2571 1 6 . 1 1 51 51 CYS N N 51 118.150 118.150 116.075 2.075 19694 2572 1 6 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.653 -0.033 19694 2573 1 6 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.371 0.659 19694 2574 1 6 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.924 -1.834 19694 2575 1 6 . 1 1 51 51 CYS H H 51 7.590 7.590 7.812 -0.222 19694 2576 1 6 . 1 1 52 52 LYS N N 52 123.800 123.800 122.789 1.011 19694 2577 1 6 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.363 -0.183 19694 2578 1 6 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.172 1.068 19694 2579 1 6 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.441 1.589 19694 2580 1 6 . 1 1 52 52 LYS H H 52 8.600 8.600 8.581 0.019 19694 2581 1 6 . 1 1 53 53 ASP N N 53 124.900 124.900 123.133 1.767 19694 2582 1 6 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.756 -0.526 19694 2583 1 6 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.358 -0.228 19694 2584 1 6 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.764 1.466 19694 2585 1 6 . 1 1 53 53 ASP H H 53 8.250 8.250 8.326 -0.076 19694 2586 1 6 . 1 1 54 54 LEU N N 54 130.160 130.160 124.264 5.896 19694 2587 1 6 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.508 -0.068 19694 2588 1 6 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.438 -2.098 19694 2589 1 6 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.021 -1.851 19694 2590 1 6 . 1 1 54 54 LEU H H 54 8.670 8.670 8.904 -0.234 19694 2591 1 6 . 1 1 55 55 SER N N 55 113.820 113.820 121.279 -7.459 19694 2592 1 6 . 1 1 55 55 SER HA H 55 5.580 5.580 5.123 0.457 19694 2593 1 6 . 1 1 55 55 SER CA C 55 55.850 55.850 56.780 -0.930 19694 2594 1 6 . 1 1 55 55 SER CB C 55 67.300 67.300 64.505 2.795 19694 2595 1 6 . 1 1 55 55 SER H H 55 8.160 8.160 8.478 -0.318 19694 2596 1 6 . 1 1 56 56 TYR N N 56 122.610 122.610 127.848 -5.238 19694 2597 1 6 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.642 -0.022 19694 2598 1 6 . 1 1 56 56 TYR CA C 56 58.810 58.810 59.049 -0.239 19694 2599 1 6 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.742 -0.742 19694 2600 1 6 . 1 1 56 56 TYR H H 56 8.450 8.450 8.598 -0.148 19694 2601 1 6 . 1 1 57 57 LYS N N 57 126.020 126.020 128.118 -2.098 19694 2602 1 6 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.955 -0.485 19694 2603 1 6 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.828 0.272 19694 2604 1 6 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.372 -1.892 19694 2605 1 6 . 1 1 57 57 LYS H H 57 8.920 8.920 8.971 -0.051 19694 2606 1 6 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.263 -0.433 19694 2607 1 6 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.836 -0.935 19694 2608 1 6 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.677 -0.597 19694 2609 1 6 . 1 1 58 58 ASP H H 58 8.400 8.400 8.548 -0.148 19694 2610 1 6 . 1 1 59 59 ARG N N 59 121.190 121.190 116.434 4.756 19694 2611 1 6 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.417 -0.167 19694 2612 1 6 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.258 1.322 19694 2613 1 6 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.742 -0.282 19694 2614 1 6 . 1 1 59 59 ARG H H 59 7.980 7.980 7.838 0.142 19694 2615 1 6 . 1 1 60 60 HIS N N 60 118.420 118.420 117.592 0.828 19694 2616 1 6 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.581 -0.311 19694 2617 1 6 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.221 -0.211 19694 2618 1 6 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.262 -0.882 19694 2619 1 6 . 1 1 60 60 HIS H H 60 8.350 8.350 8.178 0.172 19694 2620 1 6 . 1 1 61 61 TRP N N 61 119.990 119.990 118.414 1.576 19694 2621 1 6 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.776 1.154 19694 2622 1 6 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.102 0.298 19694 2623 1 6 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.144 1.236 19694 2624 1 6 . 1 1 61 61 TRP H H 61 9.310 9.310 9.296 0.014 19694 2625 1 6 . 1 1 62 62 HIS N N 62 117.270 117.270 121.418 -4.148 19694 2626 1 6 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.849 -0.249 19694 2627 1 6 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.369 1.841 19694 2628 1 6 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.449 0.751 19694 2629 1 6 . 1 1 62 62 HIS H H 62 8.430 8.430 9.138 -0.708 19694 2630 1 6 . 1 1 63 63 GLU N N 63 124.640 124.640 128.795 -4.155 19694 2631 1 6 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.952 -0.125 19694 2632 1 6 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.630 1.390 19694 2633 1 6 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.688 0.622 19694 2634 1 6 . 1 1 63 63 GLU H H 63 9.040 9.040 8.393 0.647 19694 2635 1 6 . 1 1 64 64 ALA N N 64 117.050 117.050 117.899 -0.849 19694 2636 1 6 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.265 -0.035 19694 2637 1 6 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.077 0.923 19694 2638 1 6 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.988 -0.108 19694 2639 1 6 . 1 1 64 64 ALA H H 64 8.680 8.680 8.324 0.356 19694 2640 1 6 . 1 1 65 65 CYS N N 65 115.380 115.380 117.090 -1.710 19694 2641 1 6 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.096 0.199 19694 2642 1 6 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.165 -0.315 19694 2643 1 6 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.871 5.969 19694 2644 1 6 . 1 1 65 65 CYS H H 65 7.490 7.490 8.147 -0.657 19694 2645 1 6 . 1 1 66 66 PHE N N 66 122.020 122.020 123.132 -1.112 19694 2646 1 6 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.822 0.068 19694 2647 1 6 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.484 -1.474 19694 2648 1 6 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.197 -0.127 19694 2649 1 6 . 1 1 66 66 PHE H H 66 7.110 7.110 7.550 -0.440 19694 2650 1 6 . 1 1 67 67 HIS N N 67 121.280 121.280 121.971 -0.691 19694 2651 1 6 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.286 -0.566 19694 2652 1 6 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.827 -0.097 19694 2653 1 6 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.821 1.409 19694 2654 1 6 . 1 1 67 67 HIS H H 67 7.380 7.380 7.675 -0.295 19694 2655 1 6 . 1 1 68 68 CYS N N 68 121.590 121.590 118.860 2.730 19694 2656 1 6 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.958 -0.998 19694 2657 1 6 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.972 1.818 19694 2658 1 6 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.327 1.873 19694 2659 1 6 . 1 1 68 68 CYS H H 68 8.530 8.530 8.396 0.134 19694 2660 1 6 . 1 1 69 69 SER N N 69 126.530 126.530 119.669 6.861 19694 2661 1 6 . 1 1 69 69 SER HA H 69 4.310 4.310 4.066 0.244 19694 2662 1 6 . 1 1 69 69 SER CA C 69 61.760 61.760 60.850 0.910 19694 2663 1 6 . 1 1 69 69 SER CB C 69 64.040 64.040 63.355 0.685 19694 2664 1 6 . 1 1 69 69 SER H H 69 9.460 9.460 8.691 0.769 19694 2665 1 6 . 1 1 70 70 GLN N N 70 122.370 122.370 118.429 3.941 19694 2666 1 6 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.381 0.129 19694 2667 1 6 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.401 0.438 19694 2668 1 6 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.406 1.024 19694 2669 1 6 . 1 1 70 70 GLN H H 70 8.980 8.980 7.893 1.087 19694 2670 1 6 . 1 1 71 71 CYS N N 71 118.860 118.860 115.770 3.090 19694 2671 1 6 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.712 0.008 19694 2672 1 6 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.426 1.344 19694 2673 1 6 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.166 3.744 19694 2674 1 6 . 1 1 71 71 CYS H H 71 8.220 8.220 7.708 0.512 19694 2675 1 6 . 1 1 72 72 ARG N N 72 114.380 114.380 115.956 -1.576 19694 2676 1 6 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.774 0.191 19694 2677 1 6 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.203 0.827 19694 2678 1 6 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.240 0.480 19694 2679 1 6 . 1 1 72 72 ARG H H 72 7.380 7.380 7.858 -0.478 19694 2680 1 6 . 1 1 73 73 ASN N N 73 121.480 121.480 116.509 4.971 19694 2681 1 6 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.662 -0.032 19694 2682 1 6 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.585 0.525 19694 2683 1 6 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.753 -0.883 19694 2684 1 6 . 1 1 73 73 ASN H H 73 8.722 8.722 7.986 0.736 19694 2685 1 6 . 1 1 74 74 SER N N 74 114.710 114.710 117.905 -3.195 19694 2686 1 6 . 1 1 74 74 SER HA H 74 4.060 4.060 4.870 -0.810 19694 2687 1 6 . 1 1 74 74 SER CA C 74 59.357 59.357 58.441 0.916 19694 2688 1 6 . 1 1 74 74 SER CB C 74 63.300 63.300 63.293 0.007 19694 2689 1 6 . 1 1 74 74 SER H H 74 8.690 8.690 8.608 0.082 19694 2690 1 6 . 1 1 75 75 LEU N N 75 125.757 125.757 127.766 -2.009 19694 2691 1 6 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.334 -0.054 19694 2692 1 6 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.780 -1.270 19694 2693 1 6 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.706 0.494 19694 2694 1 6 . 1 1 75 75 LEU H H 75 7.970 7.970 8.088 -0.118 19694 2695 1 6 . 1 1 76 76 VAL N N 76 120.860 120.860 124.259 -3.399 19694 2696 1 6 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.881 -0.311 19694 2697 1 6 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.887 4.533 19694 2698 1 6 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.774 -3.234 19694 2699 1 6 . 1 1 76 76 VAL H H 76 7.830 7.830 8.026 -0.196 19694 2700 1 6 . 1 1 77 77 ASP N N 77 122.360 122.360 121.844 0.516 19694 2701 1 6 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.419 -0.189 19694 2702 1 6 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.751 0.449 19694 2703 1 6 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.316 -0.936 19694 2704 1 6 . 1 1 77 77 ASP H H 77 8.910 8.910 8.383 0.527 19694 2705 1 6 . 1 1 78 78 LYS N N 78 118.100 118.100 118.811 -0.711 19694 2706 1 6 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.611 0.259 19694 2707 1 6 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.489 3.471 19694 2708 1 6 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.675 1.005 19694 2709 1 6 . 1 1 78 78 LYS H H 78 7.660 7.660 7.568 0.092 19694 2710 1 6 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.155 0.305 19694 2711 1 6 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.863 -0.343 19694 2712 1 6 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.905 0.255 19694 2713 1 6 . 1 1 80 80 PHE N N 80 114.050 114.050 117.563 -3.513 19694 2714 1 6 . 1 1 80 80 PHE HA H 80 4.910 4.910 4.958 -0.048 19694 2715 1 6 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.398 0.662 19694 2716 1 6 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.228 1.182 19694 2717 1 6 . 1 1 80 80 PHE H H 80 7.510 7.510 7.306 0.204 19694 2718 1 6 . 1 1 81 81 ALA N N 81 123.290 123.290 123.636 -0.346 19694 2719 1 6 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.347 -0.037 19694 2720 1 6 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.374 0.076 19694 2721 1 6 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.918 3.002 19694 2722 1 6 . 1 1 81 81 ALA H H 81 9.030 9.030 9.014 0.016 19694 2723 1 6 . 1 1 82 82 ALA N N 82 122.490 122.490 128.408 -5.918 19694 2724 1 6 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.391 0.719 19694 2725 1 6 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.937 -0.837 19694 2726 1 6 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.816 2.314 19694 2727 1 6 . 1 1 82 82 ALA H H 82 8.240 8.240 8.593 -0.353 19694 2728 1 6 . 1 1 83 83 LYS N N 83 123.580 123.580 125.884 -2.304 19694 2729 1 6 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.486 0.004 19694 2730 1 6 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.604 0.196 19694 2731 1 6 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.103 0.617 19694 2732 1 6 . 1 1 83 83 LYS H H 83 8.400 8.400 8.326 0.074 19694 2733 1 6 . 1 1 84 84 GLU N N 84 125.470 125.470 119.581 5.889 19694 2734 1 6 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.132 -0.312 19694 2735 1 6 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.101 -0.481 19694 2736 1 6 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.557 -2.347 19694 2737 1 6 . 1 1 84 84 GLU H H 84 9.320 9.320 8.677 0.643 19694 2738 1 6 . 1 1 85 85 ASP N N 85 118.550 118.550 114.332 4.218 19694 2739 1 6 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.769 -0.169 19694 2740 1 6 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.901 1.499 19694 2741 1 6 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.333 -1.933 19694 2742 1 6 . 1 1 85 85 ASP H H 85 8.730 8.730 8.370 0.360 19694 2743 1 6 . 1 1 86 86 GLN N N 86 119.050 119.050 117.679 1.371 19694 2744 1 6 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.679 -0.139 19694 2745 1 6 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.071 1.029 19694 2746 1 6 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.932 -0.822 19694 2747 1 6 . 1 1 86 86 GLN H H 86 8.170 8.170 7.614 0.556 19694 2748 1 6 . 1 1 87 87 LEU N N 87 123.110 123.110 121.323 1.787 19694 2749 1 6 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.218 -0.598 19694 2750 1 6 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.999 0.521 19694 2751 1 6 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.618 -1.919 19694 2752 1 6 . 1 1 87 87 LEU H H 87 8.490 8.490 8.520 -0.030 19694 2753 1 6 . 1 1 88 88 LEU N N 88 123.690 123.690 120.193 3.497 19694 2754 1 6 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.950 0.930 19694 2755 1 6 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.814 0.526 19694 2756 1 6 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.814 -0.624 19694 2757 1 6 . 1 1 88 88 LEU H H 88 8.930 8.930 8.319 0.611 19694 2758 1 6 . 1 1 89 89 CYS N N 89 122.270 122.270 119.695 2.575 19694 2759 1 6 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.828 -0.048 19694 2760 1 6 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.211 -1.571 19694 2761 1 6 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.188 2.752 19694 2762 1 6 . 1 1 89 89 CYS H H 89 9.430 9.430 9.038 0.392 19694 2763 1 6 . 1 1 90 90 THR N N 90 110.620 110.620 116.973 -6.353 19694 2764 1 6 . 1 1 90 90 THR HA H 90 3.900 3.900 3.974 -0.074 19694 2765 1 6 . 1 1 90 90 THR CA C 90 65.460 65.460 65.966 -0.506 19694 2766 1 6 . 1 1 90 90 THR CB C 90 68.670 68.670 68.860 -0.190 19694 2767 1 6 . 1 1 90 90 THR H H 90 8.410 8.410 8.821 -0.411 19694 2768 1 6 . 1 1 91 91 ASP N N 91 123.470 123.470 121.728 1.742 19694 2769 1 6 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.653 -0.163 19694 2770 1 6 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.130 0.680 19694 2771 1 6 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.462 0.698 19694 2772 1 6 . 1 1 91 91 ASP H H 91 8.150 8.150 8.465 -0.315 19694 2773 1 6 . 1 1 92 92 CYS N N 92 123.800 123.800 119.701 4.099 19694 2774 1 6 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.246 -0.276 19694 2775 1 6 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.225 2.875 19694 2776 1 6 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.569 4.521 19694 2777 1 6 . 1 1 92 92 CYS H H 92 8.580 8.580 7.934 0.646 19694 2778 1 6 . 1 1 93 93 TYR N N 93 120.730 120.730 121.007 -0.277 19694 2779 1 6 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.097 0.043 19694 2780 1 6 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.527 -1.147 19694 2781 1 6 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.446 0.854 19694 2782 1 6 . 1 1 93 93 TYR H H 93 8.540 8.540 9.172 -0.632 19694 2783 1 6 . 1 1 94 94 SER N N 94 115.010 115.010 113.149 1.861 19694 2784 1 6 . 1 1 94 94 SER HA H 94 4.220 4.220 4.197 0.023 19694 2785 1 6 . 1 1 94 94 SER CA C 94 59.300 59.300 61.744 -2.444 19694 2786 1 6 . 1 1 94 94 SER CB C 94 63.660 63.660 62.465 1.196 19694 2787 1 6 . 1 1 94 94 SER H H 94 7.750 7.750 8.088 -0.338 19694 2788 1 6 . 1 1 95 95 ASN N N 95 119.820 119.820 119.268 0.552 19694 2789 1 6 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.576 -0.066 19694 2790 1 6 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.718 -1.838 19694 2791 1 6 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.865 0.435 19694 2792 1 6 . 1 1 95 95 ASN H H 95 7.780 7.780 7.842 -0.062 19694 2793 1 6 . 1 1 96 96 GLU N N 96 119.820 119.820 117.606 2.214 19694 2794 1 6 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.246 -0.150 19694 2795 1 6 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.093 -0.183 19694 2796 1 6 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.494 0.726 19694 2797 1 6 . 1 1 96 96 GLU H H 96 7.950 7.950 7.653 0.297 19694 2798 1 6 . 1 1 97 97 TYR N N 97 120.370 120.370 121.527 -1.157 19694 2799 1 6 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.982 0.638 19694 2800 1 6 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.049 -2.349 19694 2801 1 6 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.190 0.520 19694 2802 1 6 . 1 1 97 97 TYR H H 97 8.070 8.070 8.517 -0.447 19694 2803 1 7 . 1 1 2 2 THR N N 2 113.570 113.570 116.015 -2.445 19694 2804 1 7 . 1 1 2 2 THR HA H 2 4.240 4.240 4.287 -0.047 19694 2805 1 7 . 1 1 2 2 THR CA C 2 62.130 62.130 62.927 -0.797 19694 2806 1 7 . 1 1 2 2 THR CB C 2 69.250 69.250 69.053 0.197 19694 2807 1 7 . 1 1 2 2 THR H H 2 8.090 8.090 8.143 -0.053 19694 2808 1 7 . 1 1 3 3 GLU N N 3 122.880 122.880 120.525 2.355 19694 2809 1 7 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.223 0.057 19694 2810 1 7 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.401 0.459 19694 2811 1 7 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.196 0.374 19694 2812 1 7 . 1 1 3 3 GLU H H 3 8.280 8.280 8.048 0.232 19694 2813 1 7 . 1 1 4 4 ARG N N 4 121.330 121.330 119.244 2.086 19694 2814 1 7 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.543 -0.243 19694 2815 1 7 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.207 0.663 19694 2816 1 7 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.749 0.891 19694 2817 1 7 . 1 1 4 4 ARG H H 4 8.280 8.280 8.518 -0.238 19694 2818 1 7 . 1 1 5 5 PHE N N 5 125.490 125.490 125.018 0.472 19694 2819 1 7 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.532 0.078 19694 2820 1 7 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.405 -0.025 19694 2821 1 7 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.325 0.235 19694 2822 1 7 . 1 1 5 5 PHE H H 5 8.290 8.290 8.758 -0.468 19694 2823 1 7 . 1 1 6 6 ASP N N 6 123.260 123.260 121.245 2.015 19694 2824 1 7 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.795 0.250 19694 2825 1 7 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.141 -0.961 19694 2826 1 7 . 1 1 6 6 ASP CB C 6 44.210 44.210 45.084 -0.874 19694 2827 1 7 . 1 1 6 6 ASP H H 6 7.940 7.940 7.565 0.375 19694 2828 1 7 . 1 1 7 7 CYS N N 7 121.440 121.440 122.401 -0.961 19694 2829 1 7 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.428 -0.468 19694 2830 1 7 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.420 0.400 19694 2831 1 7 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.234 4.716 19694 2832 1 7 . 1 1 7 7 CYS H H 7 8.700 8.700 8.678 0.022 19694 2833 1 7 . 1 1 8 8 HIS N N 8 129.390 129.390 129.809 -0.419 19694 2834 1 7 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.216 -0.016 19694 2835 1 7 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.644 -1.404 19694 2836 1 7 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.111 -0.631 19694 2837 1 7 . 1 1 8 8 HIS H H 8 9.160 9.160 9.634 -0.474 19694 2838 1 7 . 1 1 9 9 HIS N N 9 118.740 118.740 117.538 1.202 19694 2839 1 7 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.380 0.500 19694 2840 1 7 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.217 1.463 19694 2841 1 7 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.054 0.986 19694 2842 1 7 . 1 1 9 9 HIS H H 9 9.270 9.270 7.953 1.317 19694 2843 1 7 . 1 1 10 10 CYS N N 10 118.600 118.600 117.197 1.403 19694 2844 1 7 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.471 0.129 19694 2845 1 7 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.135 0.466 19694 2846 1 7 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.127 4.203 19694 2847 1 7 . 1 1 10 10 CYS H H 10 8.550 8.550 7.838 0.712 19694 2848 1 7 . 1 1 11 11 ASN N N 11 116.220 116.220 117.279 -1.059 19694 2849 1 7 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.362 0.048 19694 2850 1 7 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.424 1.216 19694 2851 1 7 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.404 1.796 19694 2852 1 7 . 1 1 11 11 ASN H H 11 7.690 7.690 8.659 -0.969 19694 2853 1 7 . 1 1 12 12 GLU N N 12 120.330 120.330 118.081 2.249 19694 2854 1 7 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.565 -0.345 19694 2855 1 7 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.753 1.947 19694 2856 1 7 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.145 -0.235 19694 2857 1 7 . 1 1 12 12 GLU H H 12 8.210 8.210 7.687 0.523 19694 2858 1 7 . 1 1 13 13 SER N N 13 116.190 116.190 120.432 -4.242 19694 2859 1 7 . 1 1 13 13 SER HA H 13 4.060 4.060 4.293 -0.233 19694 2860 1 7 . 1 1 13 13 SER CA C 13 59.350 59.350 59.692 -0.342 19694 2861 1 7 . 1 1 13 13 SER CB C 13 63.820 63.820 63.515 0.305 19694 2862 1 7 . 1 1 13 13 SER H H 13 8.520 8.520 8.692 -0.172 19694 2863 1 7 . 1 1 14 14 LEU N N 14 126.060 126.060 124.400 1.660 19694 2864 1 7 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.340 -0.030 19694 2865 1 7 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.621 -1.522 19694 2866 1 7 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.774 0.426 19694 2867 1 7 . 1 1 14 14 LEU H H 14 8.910 8.910 7.840 1.070 19694 2868 1 7 . 1 1 15 15 PHE N N 15 120.660 120.660 121.008 -0.348 19694 2869 1 7 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.610 -0.130 19694 2870 1 7 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.418 3.982 19694 2871 1 7 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.890 0.240 19694 2872 1 7 . 1 1 15 15 PHE H H 15 7.820 7.820 8.502 -0.682 19694 2873 1 7 . 1 1 16 16 GLY N N 16 114.730 114.730 110.947 3.783 19694 2874 1 7 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.796 0.104 19694 2875 1 7 . 1 1 16 16 GLY H H 16 8.860 8.860 8.816 0.044 19694 2876 1 7 . 1 1 17 17 LYS N N 17 119.580 119.580 119.728 -0.148 19694 2877 1 7 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.471 0.009 19694 2878 1 7 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.642 -0.183 19694 2879 1 7 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.934 1.866 19694 2880 1 7 . 1 1 17 17 LYS H H 17 8.030 8.030 7.245 0.785 19694 2881 1 7 . 1 1 18 18 LYS N N 18 120.330 120.330 121.739 -1.409 19694 2882 1 7 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.337 -0.057 19694 2883 1 7 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.498 -0.698 19694 2884 1 7 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.822 0.188 19694 2885 1 7 . 1 1 18 18 LYS H H 18 8.190 8.190 8.519 -0.329 19694 2886 1 7 . 1 1 19 19 TYR N N 19 117.500 117.500 114.073 3.427 19694 2887 1 7 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.745 0.495 19694 2888 1 7 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.413 -1.073 19694 2889 1 7 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.379 2.471 19694 2890 1 7 . 1 1 19 19 TYR H H 19 7.610 7.610 7.804 -0.194 19694 2891 1 7 . 1 1 20 20 ILE N N 20 121.430 121.430 121.929 -0.499 19694 2892 1 7 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.241 -0.104 19694 2893 1 7 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.101 -0.091 19694 2894 1 7 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.588 0.982 19694 2895 1 7 . 1 1 20 20 ILE H H 20 9.350 9.350 8.229 1.121 19694 2896 1 7 . 1 1 21 21 LEU N N 21 126.720 126.720 126.957 -0.237 19694 2897 1 7 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.537 0.553 19694 2898 1 7 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.260 -0.240 19694 2899 1 7 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.491 3.229 19694 2900 1 7 . 1 1 21 21 LEU H H 21 8.530 8.530 8.521 0.009 19694 2901 1 7 . 1 1 22 22 ARG N N 22 123.930 123.930 126.077 -2.147 19694 2902 1 7 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.420 0.020 19694 2903 1 7 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.315 1.285 19694 2904 1 7 . 1 1 22 22 ARG CB C 22 32.280 32.280 31.868 0.412 19694 2905 1 7 . 1 1 22 22 ARG H H 22 9.080 9.080 9.031 0.049 19694 2906 1 7 . 1 1 23 23 GLU N N 23 128.500 128.500 124.524 3.976 19694 2907 1 7 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.956 -0.116 19694 2908 1 7 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.908 0.122 19694 2909 1 7 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.433 -0.233 19694 2910 1 7 . 1 1 23 23 GLU H H 23 9.610 9.610 8.986 0.624 19694 2911 1 7 . 1 1 24 24 GLU N N 24 110.300 110.300 113.134 -2.834 19694 2912 1 7 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.887 -0.107 19694 2913 1 7 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.575 0.745 19694 2914 1 7 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.534 -0.314 19694 2915 1 7 . 1 1 24 24 GLU H H 24 8.660 8.660 8.638 0.022 19694 2916 1 7 . 1 1 25 25 SER N N 25 117.700 117.700 112.896 4.804 19694 2917 1 7 . 1 1 25 25 SER HA H 25 4.890 4.890 4.826 0.064 19694 2918 1 7 . 1 1 25 25 SER CA C 25 56.540 56.540 55.723 0.817 19694 2919 1 7 . 1 1 25 25 SER CB C 25 64.720 64.720 65.191 -0.471 19694 2920 1 7 . 1 1 25 25 SER H H 25 7.900 7.900 7.905 -0.005 19694 2921 1 7 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.866 0.129 19694 2922 1 7 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.139 -1.389 19694 2923 1 7 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.648 1.012 19694 2924 1 7 . 1 1 27 27 TYR N N 27 118.100 118.100 123.807 -5.707 19694 2925 1 7 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.977 0.933 19694 2926 1 7 . 1 1 27 27 TYR CA C 27 56.830 56.830 55.296 1.534 19694 2927 1 7 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.674 0.136 19694 2928 1 7 . 1 1 27 27 TYR H H 27 9.040 9.040 8.965 0.075 19694 2929 1 7 . 1 1 28 28 CYS N N 28 122.230 122.230 119.168 3.062 19694 2930 1 7 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.734 0.116 19694 2931 1 7 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.002 0.108 19694 2932 1 7 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.215 1.315 19694 2933 1 7 . 1 1 28 28 CYS H H 28 9.850 9.850 8.358 1.492 19694 2934 1 7 . 1 1 29 29 VAL N N 29 118.200 118.200 123.198 -4.998 19694 2935 1 7 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.649 0.001 19694 2936 1 7 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.653 0.747 19694 2937 1 7 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.546 0.314 19694 2938 1 7 . 1 1 29 29 VAL H H 29 8.430 8.430 8.936 -0.506 19694 2939 1 7 . 1 1 30 30 VAL N N 30 119.570 119.570 118.732 0.838 19694 2940 1 7 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.544 0.316 19694 2941 1 7 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.005 0.445 19694 2942 1 7 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.164 0.376 19694 2943 1 7 . 1 1 30 30 VAL H H 30 7.700 7.700 8.178 -0.478 19694 2944 1 7 . 1 1 31 31 CYS N N 31 125.890 125.890 119.236 6.654 19694 2945 1 7 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.908 -0.078 19694 2946 1 7 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.238 1.612 19694 2947 1 7 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.509 4.001 19694 2948 1 7 . 1 1 31 31 CYS H H 31 9.050 9.050 7.650 1.400 19694 2949 1 7 . 1 1 32 32 PHE N N 32 119.000 119.000 119.317 -0.317 19694 2950 1 7 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.693 0.087 19694 2951 1 7 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.770 0.841 19694 2952 1 7 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.026 0.893 19694 2953 1 7 . 1 1 32 32 PHE H H 32 9.080 9.080 7.878 1.202 19694 2954 1 7 . 1 1 33 33 GLU N N 33 117.470 117.470 118.593 -1.123 19694 2955 1 7 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.068 -0.308 19694 2956 1 7 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.442 -0.232 19694 2957 1 7 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.218 0.262 19694 2958 1 7 . 1 1 33 33 GLU H H 33 8.510 8.510 8.202 0.308 19694 2959 1 7 . 1 1 34 34 THR N N 34 114.140 114.140 115.054 -0.914 19694 2960 1 7 . 1 1 34 34 THR HA H 34 3.730 3.730 3.941 -0.211 19694 2961 1 7 . 1 1 34 34 THR CA C 34 65.890 65.890 65.961 -0.071 19694 2962 1 7 . 1 1 34 34 THR CB C 34 69.210 69.210 68.765 0.445 19694 2963 1 7 . 1 1 34 34 THR H H 34 7.880 7.880 8.304 -0.424 19694 2964 1 7 . 1 1 35 35 LEU N N 35 117.980 117.980 119.645 -1.665 19694 2965 1 7 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.942 -0.292 19694 2966 1 7 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.599 -0.739 19694 2967 1 7 . 1 1 35 35 LEU CB C 35 41.870 41.870 42.032 -0.162 19694 2968 1 7 . 1 1 35 35 LEU H H 35 7.660 7.660 7.899 -0.239 19694 2969 1 7 . 1 1 36 36 PHE N N 36 113.900 113.900 113.783 0.117 19694 2970 1 7 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.443 0.154 19694 2971 1 7 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.319 0.541 19694 2972 1 7 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.212 2.358 19694 2973 1 7 . 1 1 36 36 PHE H H 36 7.730 7.730 6.710 1.020 19694 2974 1 7 . 1 1 37 37 ALA N N 37 121.920 121.920 123.383 -1.463 19694 2975 1 7 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.046 0.024 19694 2976 1 7 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.656 0.244 19694 2977 1 7 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.582 0.188 19694 2978 1 7 . 1 1 37 37 ALA H H 37 7.090 7.090 7.899 -0.809 19694 2979 1 7 . 1 1 38 38 ASN N N 38 119.230 119.230 119.051 0.179 19694 2980 1 7 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.669 -0.219 19694 2981 1 7 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.372 0.478 19694 2982 1 7 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.776 -0.826 19694 2983 1 7 . 1 1 38 38 ASN H H 38 8.790 8.790 8.286 0.504 19694 2984 1 7 . 1 1 39 39 THR N N 39 116.330 116.330 116.023 0.307 19694 2985 1 7 . 1 1 39 39 THR HA H 39 3.990 3.990 4.456 -0.466 19694 2986 1 7 . 1 1 39 39 THR CA C 39 62.130 62.130 62.448 -0.318 19694 2987 1 7 . 1 1 39 39 THR CB C 39 69.920 69.920 69.438 0.482 19694 2988 1 7 . 1 1 39 39 THR H H 39 8.540 8.540 8.256 0.284 19694 2989 1 7 . 1 1 40 40 CYS N N 40 126.950 126.950 128.150 -1.200 19694 2990 1 7 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.412 -0.112 19694 2991 1 7 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.197 1.153 19694 2992 1 7 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.793 4.807 19694 2993 1 7 . 1 1 40 40 CYS H H 40 7.940 7.940 8.413 -0.473 19694 2994 1 7 . 1 1 41 41 GLU N N 41 130.560 130.560 127.636 2.924 19694 2995 1 7 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.846 -0.156 19694 2996 1 7 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.090 -0.490 19694 2997 1 7 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.390 1.070 19694 2998 1 7 . 1 1 41 41 GLU H H 41 8.810 8.810 8.680 0.130 19694 2999 1 7 . 1 1 42 42 GLU N N 42 119.680 119.680 118.149 1.531 19694 3000 1 7 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.332 0.238 19694 3001 1 7 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.089 -0.089 19694 3002 1 7 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.622 1.058 19694 3003 1 7 . 1 1 42 42 GLU H H 42 8.500 8.500 8.126 0.374 19694 3004 1 7 . 1 1 43 43 CYS N N 43 115.600 115.600 116.297 -0.697 19694 3005 1 7 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.646 0.364 19694 3006 1 7 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.061 -1.251 19694 3007 1 7 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.575 2.005 19694 3008 1 7 . 1 1 43 43 CYS H H 43 8.120 8.120 7.953 0.167 19694 3009 1 7 . 1 1 44 44 GLY N N 44 112.100 112.100 107.779 4.321 19694 3010 1 7 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.216 1.204 19694 3011 1 7 . 1 1 44 44 GLY H H 44 7.900 7.900 8.629 -0.729 19694 3012 1 7 . 1 1 45 45 LYS N N 45 121.210 121.210 121.462 -0.252 19694 3013 1 7 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.696 0.144 19694 3014 1 7 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.684 1.676 19694 3015 1 7 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.787 -0.357 19694 3016 1 7 . 1 1 45 45 LYS H H 45 8.180 8.180 7.834 0.346 19694 3017 1 7 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.538 -0.061 19694 3018 1 7 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.006 -0.306 19694 3019 1 7 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.040 0.450 19694 3020 1 7 . 1 1 47 47 ILE N N 47 125.280 125.280 123.280 2.000 19694 3021 1 7 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.321 -0.491 19694 3022 1 7 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.819 0.222 19694 3023 1 7 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.514 -0.074 19694 3024 1 7 . 1 1 47 47 ILE H H 47 8.540 8.540 8.888 -0.348 19694 3025 1 7 . 1 1 48 48 GLY N N 48 114.120 114.120 113.481 0.639 19694 3026 1 7 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.721 0.519 19694 3027 1 7 . 1 1 48 48 GLY H H 48 8.660 8.660 8.440 0.220 19694 3028 1 7 . 1 1 49 49 CYS N N 49 117.140 117.140 117.835 -0.695 19694 3029 1 7 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.299 -0.019 19694 3030 1 7 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.751 1.129 19694 3031 1 7 . 1 1 49 49 CYS CB C 49 27.650 27.650 28.494 -0.844 19694 3032 1 7 . 1 1 49 49 CYS H H 49 9.210 9.210 8.444 0.766 19694 3033 1 7 . 1 1 50 50 ASP N N 50 119.300 119.300 119.829 -0.529 19694 3034 1 7 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.589 0.031 19694 3035 1 7 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.929 -0.769 19694 3036 1 7 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.049 0.331 19694 3037 1 7 . 1 1 50 50 ASP H H 50 8.800 8.800 8.375 0.425 19694 3038 1 7 . 1 1 51 51 CYS N N 51 118.150 118.150 117.215 0.935 19694 3039 1 7 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.743 -0.123 19694 3040 1 7 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.322 0.708 19694 3041 1 7 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.904 -1.814 19694 3042 1 7 . 1 1 51 51 CYS H H 51 7.590 7.590 7.390 0.200 19694 3043 1 7 . 1 1 52 52 LYS N N 52 123.800 123.800 123.397 0.403 19694 3044 1 7 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.300 -0.120 19694 3045 1 7 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.278 0.962 19694 3046 1 7 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.369 1.661 19694 3047 1 7 . 1 1 52 52 LYS H H 52 8.600 8.600 8.574 0.026 19694 3048 1 7 . 1 1 53 53 ASP N N 53 124.900 124.900 123.722 1.178 19694 3049 1 7 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.568 -0.338 19694 3050 1 7 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.520 -0.390 19694 3051 1 7 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.341 1.889 19694 3052 1 7 . 1 1 53 53 ASP H H 53 8.250 8.250 8.269 -0.019 19694 3053 1 7 . 1 1 54 54 LEU N N 54 130.160 130.160 125.579 4.581 19694 3054 1 7 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.492 -0.052 19694 3055 1 7 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.829 -2.489 19694 3056 1 7 . 1 1 54 54 LEU CB C 54 41.170 41.170 42.689 -1.519 19694 3057 1 7 . 1 1 54 54 LEU H H 54 8.670 8.670 8.580 0.090 19694 3058 1 7 . 1 1 55 55 SER N N 55 113.820 113.820 121.719 -7.899 19694 3059 1 7 . 1 1 55 55 SER HA H 55 5.580 5.580 5.312 0.268 19694 3060 1 7 . 1 1 55 55 SER CA C 55 55.850 55.850 57.041 -1.191 19694 3061 1 7 . 1 1 55 55 SER CB C 55 67.300 67.300 64.749 2.551 19694 3062 1 7 . 1 1 55 55 SER H H 55 8.160 8.160 8.481 -0.321 19694 3063 1 7 . 1 1 56 56 TYR N N 56 122.610 122.610 125.353 -2.743 19694 3064 1 7 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.645 -0.025 19694 3065 1 7 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.442 0.368 19694 3066 1 7 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.710 -1.710 19694 3067 1 7 . 1 1 56 56 TYR H H 56 8.450 8.450 9.095 -0.645 19694 3068 1 7 . 1 1 57 57 LYS N N 57 126.020 126.020 128.284 -2.264 19694 3069 1 7 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.896 -0.426 19694 3070 1 7 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.354 0.746 19694 3071 1 7 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.056 -2.576 19694 3072 1 7 . 1 1 57 57 LYS H H 57 8.920 8.920 8.631 0.289 19694 3073 1 7 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.210 -0.380 19694 3074 1 7 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.371 -0.471 19694 3075 1 7 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.569 -0.489 19694 3076 1 7 . 1 1 58 58 ASP H H 58 8.400 8.400 8.632 -0.232 19694 3077 1 7 . 1 1 59 59 ARG N N 59 121.190 121.190 116.265 4.925 19694 3078 1 7 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.402 -0.152 19694 3079 1 7 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.090 1.490 19694 3080 1 7 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.401 0.059 19694 3081 1 7 . 1 1 59 59 ARG H H 59 7.980 7.980 7.896 0.084 19694 3082 1 7 . 1 1 60 60 HIS N N 60 118.420 118.420 117.670 0.750 19694 3083 1 7 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.659 -0.389 19694 3084 1 7 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.101 -0.091 19694 3085 1 7 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.411 -1.032 19694 3086 1 7 . 1 1 60 60 HIS H H 60 8.350 8.350 8.044 0.306 19694 3087 1 7 . 1 1 61 61 TRP N N 61 119.990 119.990 118.278 1.712 19694 3088 1 7 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.799 1.131 19694 3089 1 7 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.170 0.230 19694 3090 1 7 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.249 1.131 19694 3091 1 7 . 1 1 61 61 TRP H H 61 9.310 9.310 9.285 0.025 19694 3092 1 7 . 1 1 62 62 HIS N N 62 117.270 117.270 121.036 -3.766 19694 3093 1 7 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.639 -0.039 19694 3094 1 7 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.656 1.554 19694 3095 1 7 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.590 0.610 19694 3096 1 7 . 1 1 62 62 HIS H H 62 8.430 8.430 9.207 -0.777 19694 3097 1 7 . 1 1 63 63 GLU N N 63 124.640 124.640 128.702 -4.062 19694 3098 1 7 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.963 -0.136 19694 3099 1 7 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.882 1.138 19694 3100 1 7 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.874 0.436 19694 3101 1 7 . 1 1 63 63 GLU H H 63 9.040 9.040 8.186 0.854 19694 3102 1 7 . 1 1 64 64 ALA N N 64 117.050 117.050 117.250 -0.200 19694 3103 1 7 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.405 -0.175 19694 3104 1 7 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.219 0.781 19694 3105 1 7 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.949 -0.069 19694 3106 1 7 . 1 1 64 64 ALA H H 64 8.680 8.680 8.213 0.467 19694 3107 1 7 . 1 1 65 65 CYS N N 65 115.380 115.380 116.733 -1.353 19694 3108 1 7 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.536 -0.241 19694 3109 1 7 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.821 -0.971 19694 3110 1 7 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.383 5.457 19694 3111 1 7 . 1 1 65 65 CYS H H 65 7.490 7.490 8.371 -0.881 19694 3112 1 7 . 1 1 66 66 PHE N N 66 122.020 122.020 122.925 -0.905 19694 3113 1 7 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.861 0.029 19694 3114 1 7 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.614 -1.603 19694 3115 1 7 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.036 0.034 19694 3116 1 7 . 1 1 66 66 PHE H H 66 7.110 7.110 7.728 -0.618 19694 3117 1 7 . 1 1 67 67 HIS N N 67 121.280 121.280 121.194 0.086 19694 3118 1 7 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.289 -0.569 19694 3119 1 7 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.738 -1.008 19694 3120 1 7 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.863 0.367 19694 3121 1 7 . 1 1 67 67 HIS H H 67 7.380 7.380 7.062 0.318 19694 3122 1 7 . 1 1 68 68 CYS N N 68 121.590 121.590 118.946 2.644 19694 3123 1 7 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.939 -0.979 19694 3124 1 7 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.166 1.624 19694 3125 1 7 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.487 1.713 19694 3126 1 7 . 1 1 68 68 CYS H H 68 8.530 8.530 8.415 0.115 19694 3127 1 7 . 1 1 69 69 SER N N 69 126.530 126.530 120.182 6.348 19694 3128 1 7 . 1 1 69 69 SER HA H 69 4.310 4.310 4.396 -0.086 19694 3129 1 7 . 1 1 69 69 SER CA C 69 61.760 61.760 60.732 1.028 19694 3130 1 7 . 1 1 69 69 SER CB C 69 64.040 64.040 63.509 0.531 19694 3131 1 7 . 1 1 69 69 SER H H 69 9.460 9.460 8.789 0.671 19694 3132 1 7 . 1 1 70 70 GLN N N 70 122.370 122.370 118.936 3.434 19694 3133 1 7 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.386 0.124 19694 3134 1 7 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.251 0.589 19694 3135 1 7 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.659 0.771 19694 3136 1 7 . 1 1 70 70 GLN H H 70 8.980 8.980 8.157 0.823 19694 3137 1 7 . 1 1 71 71 CYS N N 71 118.860 118.860 116.015 2.845 19694 3138 1 7 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.712 0.008 19694 3139 1 7 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.492 1.278 19694 3140 1 7 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.260 3.650 19694 3141 1 7 . 1 1 71 71 CYS H H 71 8.220 8.220 7.846 0.374 19694 3142 1 7 . 1 1 72 72 ARG N N 72 114.380 114.380 117.628 -3.248 19694 3143 1 7 . 1 1 72 72 ARG HA H 72 3.965 3.965 4.077 -0.112 19694 3144 1 7 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.076 0.954 19694 3145 1 7 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.883 -0.163 19694 3146 1 7 . 1 1 72 72 ARG H H 72 7.380 7.380 7.940 -0.560 19694 3147 1 7 . 1 1 73 73 ASN N N 73 121.480 121.480 116.265 5.215 19694 3148 1 7 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.636 -0.006 19694 3149 1 7 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.795 0.315 19694 3150 1 7 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.740 -0.870 19694 3151 1 7 . 1 1 73 73 ASN H H 73 8.722 8.722 8.227 0.495 19694 3152 1 7 . 1 1 74 74 SER N N 74 114.710 114.710 118.163 -3.453 19694 3153 1 7 . 1 1 74 74 SER HA H 74 4.060 4.060 4.860 -0.800 19694 3154 1 7 . 1 1 74 74 SER CA C 74 59.357 59.357 58.212 1.145 19694 3155 1 7 . 1 1 74 74 SER CB C 74 63.300 63.300 63.214 0.086 19694 3156 1 7 . 1 1 74 74 SER H H 74 8.690 8.690 8.490 0.200 19694 3157 1 7 . 1 1 75 75 LEU N N 75 125.757 125.757 128.183 -2.426 19694 3158 1 7 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.287 -0.007 19694 3159 1 7 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.796 -1.286 19694 3160 1 7 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.830 0.370 19694 3161 1 7 . 1 1 75 75 LEU H H 75 7.970 7.970 8.099 -0.129 19694 3162 1 7 . 1 1 76 76 VAL N N 76 120.860 120.860 124.944 -4.084 19694 3163 1 7 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.834 -0.264 19694 3164 1 7 . 1 1 76 76 VAL CA C 76 65.420 65.420 61.044 4.376 19694 3165 1 7 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.975 -3.435 19694 3166 1 7 . 1 1 76 76 VAL H H 76 7.830 7.830 7.991 -0.161 19694 3167 1 7 . 1 1 77 77 ASP N N 77 122.360 122.360 123.878 -1.518 19694 3168 1 7 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.503 -0.273 19694 3169 1 7 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.847 0.353 19694 3170 1 7 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.907 -1.527 19694 3171 1 7 . 1 1 77 77 ASP H H 77 8.910 8.910 8.433 0.477 19694 3172 1 7 . 1 1 78 78 LYS N N 78 118.100 118.100 118.235 -0.135 19694 3173 1 7 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.683 0.187 19694 3174 1 7 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.735 3.225 19694 3175 1 7 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.593 1.087 19694 3176 1 7 . 1 1 78 78 LYS H H 78 7.660 7.660 7.660 -0.000 19694 3177 1 7 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.230 0.230 19694 3178 1 7 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.922 -0.402 19694 3179 1 7 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.767 0.393 19694 3180 1 7 . 1 1 80 80 PHE N N 80 114.050 114.050 117.050 -3.000 19694 3181 1 7 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.070 -0.160 19694 3182 1 7 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.081 0.979 19694 3183 1 7 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.954 0.456 19694 3184 1 7 . 1 1 80 80 PHE H H 80 7.510 7.510 7.199 0.311 19694 3185 1 7 . 1 1 81 81 ALA N N 81 123.290 123.290 123.793 -0.503 19694 3186 1 7 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.343 -0.033 19694 3187 1 7 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.352 0.098 19694 3188 1 7 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.988 2.932 19694 3189 1 7 . 1 1 81 81 ALA H H 81 9.030 9.030 9.020 0.010 19694 3190 1 7 . 1 1 82 82 ALA N N 82 122.490 122.490 129.142 -6.652 19694 3191 1 7 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.362 0.748 19694 3192 1 7 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.675 -0.576 19694 3193 1 7 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.790 2.340 19694 3194 1 7 . 1 1 82 82 ALA H H 82 8.240 8.240 8.619 -0.379 19694 3195 1 7 . 1 1 83 83 LYS N N 83 123.580 123.580 125.537 -1.957 19694 3196 1 7 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.505 -0.015 19694 3197 1 7 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.287 0.513 19694 3198 1 7 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.086 0.634 19694 3199 1 7 . 1 1 83 83 LYS H H 83 8.400 8.400 8.217 0.183 19694 3200 1 7 . 1 1 84 84 GLU N N 84 125.470 125.470 120.863 4.607 19694 3201 1 7 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.119 -0.299 19694 3202 1 7 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.175 -0.555 19694 3203 1 7 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.619 -2.409 19694 3204 1 7 . 1 1 84 84 GLU H H 84 9.320 9.320 8.745 0.575 19694 3205 1 7 . 1 1 85 85 ASP N N 85 118.550 118.550 114.524 4.026 19694 3206 1 7 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.754 -0.154 19694 3207 1 7 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.986 1.414 19694 3208 1 7 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.979 -1.579 19694 3209 1 7 . 1 1 85 85 ASP H H 85 8.730 8.730 8.324 0.406 19694 3210 1 7 . 1 1 86 86 GLN N N 86 119.050 119.050 117.153 1.897 19694 3211 1 7 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.594 -0.054 19694 3212 1 7 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.905 1.195 19694 3213 1 7 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.690 -0.580 19694 3214 1 7 . 1 1 86 86 GLN H H 86 8.170 8.170 7.610 0.560 19694 3215 1 7 . 1 1 87 87 LEU N N 87 123.110 123.110 121.304 1.806 19694 3216 1 7 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.145 -0.525 19694 3217 1 7 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.975 0.545 19694 3218 1 7 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.405 -1.705 19694 3219 1 7 . 1 1 87 87 LEU H H 87 8.490 8.490 8.467 0.023 19694 3220 1 7 . 1 1 88 88 LEU N N 88 123.690 123.690 120.206 3.484 19694 3221 1 7 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.960 0.920 19694 3222 1 7 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.803 0.537 19694 3223 1 7 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.811 -0.621 19694 3224 1 7 . 1 1 88 88 LEU H H 88 8.930 8.930 8.406 0.524 19694 3225 1 7 . 1 1 89 89 CYS N N 89 122.270 122.270 118.574 3.696 19694 3226 1 7 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.775 0.005 19694 3227 1 7 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.059 -1.419 19694 3228 1 7 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.664 3.276 19694 3229 1 7 . 1 1 89 89 CYS H H 89 9.430 9.430 9.112 0.318 19694 3230 1 7 . 1 1 90 90 THR N N 90 110.620 110.620 117.005 -6.385 19694 3231 1 7 . 1 1 90 90 THR HA H 90 3.900 3.900 3.994 -0.094 19694 3232 1 7 . 1 1 90 90 THR CA C 90 65.460 65.460 65.884 -0.424 19694 3233 1 7 . 1 1 90 90 THR CB C 90 68.670 68.670 68.935 -0.265 19694 3234 1 7 . 1 1 90 90 THR H H 90 8.410 8.410 9.053 -0.643 19694 3235 1 7 . 1 1 91 91 ASP N N 91 123.470 123.470 120.744 2.726 19694 3236 1 7 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.603 -0.113 19694 3237 1 7 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.500 0.310 19694 3238 1 7 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.518 0.642 19694 3239 1 7 . 1 1 91 91 ASP H H 91 8.150 8.150 8.431 -0.281 19694 3240 1 7 . 1 1 92 92 CYS N N 92 123.800 123.800 119.627 4.173 19694 3241 1 7 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.259 -0.289 19694 3242 1 7 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.371 2.728 19694 3243 1 7 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.646 4.444 19694 3244 1 7 . 1 1 92 92 CYS H H 92 8.580 8.580 8.027 0.553 19694 3245 1 7 . 1 1 93 93 TYR N N 93 120.730 120.730 120.925 -0.195 19694 3246 1 7 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.089 0.051 19694 3247 1 7 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.504 -1.124 19694 3248 1 7 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.344 0.956 19694 3249 1 7 . 1 1 93 93 TYR H H 93 8.540 8.540 9.166 -0.626 19694 3250 1 7 . 1 1 94 94 SER N N 94 115.010 115.010 113.227 1.783 19694 3251 1 7 . 1 1 94 94 SER HA H 94 4.220 4.220 4.263 -0.043 19694 3252 1 7 . 1 1 94 94 SER CA C 94 59.300 59.300 61.625 -2.325 19694 3253 1 7 . 1 1 94 94 SER CB C 94 63.660 63.660 62.903 0.757 19694 3254 1 7 . 1 1 94 94 SER H H 94 7.750 7.750 7.887 -0.137 19694 3255 1 7 . 1 1 95 95 ASN N N 95 119.820 119.820 119.718 0.102 19694 3256 1 7 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.596 -0.086 19694 3257 1 7 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.581 -1.701 19694 3258 1 7 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.446 0.854 19694 3259 1 7 . 1 1 95 95 ASN H H 95 7.780 7.780 7.644 0.136 19694 3260 1 7 . 1 1 96 96 GLU N N 96 119.820 119.820 117.244 2.576 19694 3261 1 7 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.255 -0.159 19694 3262 1 7 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.411 -0.501 19694 3263 1 7 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.509 0.710 19694 3264 1 7 . 1 1 96 96 GLU H H 96 7.950 7.950 7.684 0.266 19694 3265 1 7 . 1 1 97 97 TYR N N 97 120.370 120.370 121.213 -0.843 19694 3266 1 7 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.094 0.526 19694 3267 1 7 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.019 -2.319 19694 3268 1 7 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.546 0.164 19694 3269 1 7 . 1 1 97 97 TYR H H 97 8.070 8.070 8.577 -0.507 19694 3270 1 8 . 1 1 2 2 THR N N 2 113.570 113.570 116.195 -2.625 19694 3271 1 8 . 1 1 2 2 THR HA H 2 4.240 4.240 4.345 -0.105 19694 3272 1 8 . 1 1 2 2 THR CA C 2 62.130 62.130 62.950 -0.820 19694 3273 1 8 . 1 1 2 2 THR CB C 2 69.250 69.250 69.374 -0.124 19694 3274 1 8 . 1 1 2 2 THR H H 2 8.090 8.090 8.389 -0.299 19694 3275 1 8 . 1 1 3 3 GLU N N 3 122.880 122.880 121.167 1.713 19694 3276 1 8 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.295 -0.015 19694 3277 1 8 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.995 0.865 19694 3278 1 8 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.272 0.298 19694 3279 1 8 . 1 1 3 3 GLU H H 3 8.280 8.280 8.063 0.217 19694 3280 1 8 . 1 1 4 4 ARG N N 4 121.330 121.330 119.683 1.647 19694 3281 1 8 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.554 -0.254 19694 3282 1 8 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.305 0.565 19694 3283 1 8 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.758 0.882 19694 3284 1 8 . 1 1 4 4 ARG H H 4 8.280 8.280 8.550 -0.270 19694 3285 1 8 . 1 1 5 5 PHE N N 5 125.490 125.490 124.789 0.701 19694 3286 1 8 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.579 0.031 19694 3287 1 8 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.428 -0.049 19694 3288 1 8 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.699 -0.139 19694 3289 1 8 . 1 1 5 5 PHE H H 5 8.290 8.290 8.709 -0.419 19694 3290 1 8 . 1 1 6 6 ASP N N 6 123.260 123.260 121.841 1.419 19694 3291 1 8 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.786 0.259 19694 3292 1 8 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.942 -0.762 19694 3293 1 8 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.583 -0.373 19694 3294 1 8 . 1 1 6 6 ASP H H 6 7.940 7.940 7.630 0.310 19694 3295 1 8 . 1 1 7 7 CYS N N 7 121.440 121.440 122.860 -1.420 19694 3296 1 8 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.432 -0.472 19694 3297 1 8 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.545 0.275 19694 3298 1 8 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.175 4.775 19694 3299 1 8 . 1 1 7 7 CYS H H 7 8.700 8.700 8.564 0.136 19694 3300 1 8 . 1 1 8 8 HIS N N 8 129.390 129.390 129.779 -0.389 19694 3301 1 8 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.295 -0.095 19694 3302 1 8 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.459 -1.219 19694 3303 1 8 . 1 1 8 8 HIS CB C 8 29.480 29.480 29.925 -0.445 19694 3304 1 8 . 1 1 8 8 HIS H H 8 9.160 9.160 9.635 -0.475 19694 3305 1 8 . 1 1 9 9 HIS N N 9 118.740 118.740 116.703 2.037 19694 3306 1 8 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.504 0.376 19694 3307 1 8 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.260 1.421 19694 3308 1 8 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.558 0.482 19694 3309 1 8 . 1 1 9 9 HIS H H 9 9.270 9.270 7.869 1.401 19694 3310 1 8 . 1 1 10 10 CYS N N 10 118.600 118.600 117.072 1.528 19694 3311 1 8 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.430 0.170 19694 3312 1 8 . 1 1 10 10 CYS CA C 10 59.600 59.600 58.987 0.613 19694 3313 1 8 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.885 4.445 19694 3314 1 8 . 1 1 10 10 CYS H H 10 8.550 8.550 7.801 0.749 19694 3315 1 8 . 1 1 11 11 ASN N N 11 116.220 116.220 118.216 -1.996 19694 3316 1 8 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.401 0.009 19694 3317 1 8 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.416 1.224 19694 3318 1 8 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.265 0.935 19694 3319 1 8 . 1 1 11 11 ASN H H 11 7.690 7.690 8.651 -0.961 19694 3320 1 8 . 1 1 12 12 GLU N N 12 120.330 120.330 117.102 3.228 19694 3321 1 8 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.507 -0.287 19694 3322 1 8 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.037 1.663 19694 3323 1 8 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.724 0.185 19694 3324 1 8 . 1 1 12 12 GLU H H 12 8.210 8.210 7.780 0.430 19694 3325 1 8 . 1 1 13 13 SER N N 13 116.190 116.190 119.339 -3.149 19694 3326 1 8 . 1 1 13 13 SER HA H 13 4.060 4.060 4.526 -0.466 19694 3327 1 8 . 1 1 13 13 SER CA C 13 59.350 59.350 58.946 0.404 19694 3328 1 8 . 1 1 13 13 SER CB C 13 63.820 63.820 63.607 0.213 19694 3329 1 8 . 1 1 13 13 SER H H 13 8.520 8.520 8.658 -0.138 19694 3330 1 8 . 1 1 14 14 LEU N N 14 126.060 126.060 124.722 1.338 19694 3331 1 8 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.352 -0.042 19694 3332 1 8 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.770 -1.670 19694 3333 1 8 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.479 0.721 19694 3334 1 8 . 1 1 14 14 LEU H H 14 8.910 8.910 7.733 1.177 19694 3335 1 8 . 1 1 15 15 PHE N N 15 120.660 120.660 121.243 -0.583 19694 3336 1 8 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.595 -0.115 19694 3337 1 8 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.322 4.078 19694 3338 1 8 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.142 -0.012 19694 3339 1 8 . 1 1 15 15 PHE H H 15 7.820 7.820 8.554 -0.734 19694 3340 1 8 . 1 1 16 16 GLY N N 16 114.730 114.730 110.937 3.793 19694 3341 1 8 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.801 0.099 19694 3342 1 8 . 1 1 16 16 GLY H H 16 8.860 8.860 8.810 0.050 19694 3343 1 8 . 1 1 17 17 LYS N N 17 119.580 119.580 120.168 -0.588 19694 3344 1 8 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.516 -0.036 19694 3345 1 8 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.446 0.014 19694 3346 1 8 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.296 1.504 19694 3347 1 8 . 1 1 17 17 LYS H H 17 8.030 8.030 7.227 0.803 19694 3348 1 8 . 1 1 18 18 LYS N N 18 120.330 120.330 122.383 -2.053 19694 3349 1 8 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.320 -0.040 19694 3350 1 8 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.462 -0.662 19694 3351 1 8 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.820 0.190 19694 3352 1 8 . 1 1 18 18 LYS H H 18 8.190 8.190 8.472 -0.282 19694 3353 1 8 . 1 1 19 19 TYR N N 19 117.500 117.500 115.444 2.056 19694 3354 1 8 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.842 0.398 19694 3355 1 8 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.291 -0.951 19694 3356 1 8 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.324 2.526 19694 3357 1 8 . 1 1 19 19 TYR H H 19 7.610 7.610 7.908 -0.298 19694 3358 1 8 . 1 1 20 20 ILE N N 20 121.430 121.430 121.715 -0.285 19694 3359 1 8 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.238 -0.101 19694 3360 1 8 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.095 -0.085 19694 3361 1 8 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.704 0.866 19694 3362 1 8 . 1 1 20 20 ILE H H 20 9.350 9.350 8.213 1.137 19694 3363 1 8 . 1 1 21 21 LEU N N 21 126.720 126.720 125.871 0.849 19694 3364 1 8 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.784 0.306 19694 3365 1 8 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.910 0.110 19694 3366 1 8 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.909 2.811 19694 3367 1 8 . 1 1 21 21 LEU H H 21 8.530 8.530 8.490 0.040 19694 3368 1 8 . 1 1 22 22 ARG N N 22 123.930 123.930 125.905 -1.975 19694 3369 1 8 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.533 -0.093 19694 3370 1 8 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.007 1.593 19694 3371 1 8 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.606 -0.327 19694 3372 1 8 . 1 1 22 22 ARG H H 22 9.080 9.080 8.834 0.246 19694 3373 1 8 . 1 1 23 23 GLU N N 23 128.500 128.500 123.834 4.666 19694 3374 1 8 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.952 -0.112 19694 3375 1 8 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.919 0.111 19694 3376 1 8 . 1 1 23 23 GLU CB C 23 27.200 27.200 28.031 -0.831 19694 3377 1 8 . 1 1 23 23 GLU H H 23 9.610 9.610 9.057 0.553 19694 3378 1 8 . 1 1 24 24 GLU N N 24 110.300 110.300 113.497 -3.197 19694 3379 1 8 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.979 -0.199 19694 3380 1 8 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.347 0.973 19694 3381 1 8 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.477 0.743 19694 3382 1 8 . 1 1 24 24 GLU H H 24 8.660 8.660 8.837 -0.177 19694 3383 1 8 . 1 1 25 25 SER N N 25 117.700 117.700 113.253 4.447 19694 3384 1 8 . 1 1 25 25 SER HA H 25 4.890 4.890 4.725 0.165 19694 3385 1 8 . 1 1 25 25 SER CA C 25 56.540 56.540 56.009 0.531 19694 3386 1 8 . 1 1 25 25 SER CB C 25 64.720 64.720 64.871 -0.151 19694 3387 1 8 . 1 1 25 25 SER H H 25 7.900 7.900 7.735 0.165 19694 3388 1 8 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.847 0.148 19694 3389 1 8 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.049 -1.299 19694 3390 1 8 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.731 0.929 19694 3391 1 8 . 1 1 27 27 TYR N N 27 118.100 118.100 123.562 -5.462 19694 3392 1 8 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.979 0.931 19694 3393 1 8 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.811 2.019 19694 3394 1 8 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.498 0.312 19694 3395 1 8 . 1 1 27 27 TYR H H 27 9.040 9.040 8.640 0.400 19694 3396 1 8 . 1 1 28 28 CYS N N 28 122.230 122.230 118.999 3.231 19694 3397 1 8 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.664 0.186 19694 3398 1 8 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.454 -0.344 19694 3399 1 8 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.073 1.456 19694 3400 1 8 . 1 1 28 28 CYS H H 28 9.850 9.850 8.325 1.525 19694 3401 1 8 . 1 1 29 29 VAL N N 29 118.200 118.200 122.921 -4.721 19694 3402 1 8 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.757 -0.107 19694 3403 1 8 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.836 0.564 19694 3404 1 8 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.465 0.395 19694 3405 1 8 . 1 1 29 29 VAL H H 29 8.430 8.430 8.941 -0.511 19694 3406 1 8 . 1 1 30 30 VAL N N 30 119.570 119.570 118.744 0.826 19694 3407 1 8 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.619 0.241 19694 3408 1 8 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.005 0.445 19694 3409 1 8 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.529 1.011 19694 3410 1 8 . 1 1 30 30 VAL H H 30 7.700 7.700 7.887 -0.187 19694 3411 1 8 . 1 1 31 31 CYS N N 31 125.890 125.890 119.648 6.242 19694 3412 1 8 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.901 -0.071 19694 3413 1 8 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.332 1.518 19694 3414 1 8 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.559 3.951 19694 3415 1 8 . 1 1 31 31 CYS H H 31 9.050 9.050 7.640 1.410 19694 3416 1 8 . 1 1 32 32 PHE N N 32 119.000 119.000 119.325 -0.325 19694 3417 1 8 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.681 0.099 19694 3418 1 8 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.695 0.915 19694 3419 1 8 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.049 0.871 19694 3420 1 8 . 1 1 32 32 PHE H H 32 9.080 9.080 7.892 1.188 19694 3421 1 8 . 1 1 33 33 GLU N N 33 117.470 117.470 118.519 -1.049 19694 3422 1 8 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.072 -0.311 19694 3423 1 8 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.386 -0.176 19694 3424 1 8 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.240 0.240 19694 3425 1 8 . 1 1 33 33 GLU H H 33 8.510 8.510 8.318 0.192 19694 3426 1 8 . 1 1 34 34 THR N N 34 114.140 114.140 115.360 -1.220 19694 3427 1 8 . 1 1 34 34 THR HA H 34 3.730 3.730 3.900 -0.170 19694 3428 1 8 . 1 1 34 34 THR CA C 34 65.890 65.890 66.052 -0.161 19694 3429 1 8 . 1 1 34 34 THR CB C 34 69.210 69.210 68.735 0.475 19694 3430 1 8 . 1 1 34 34 THR H H 34 7.880 7.880 8.330 -0.450 19694 3431 1 8 . 1 1 35 35 LEU N N 35 117.980 117.980 118.818 -0.838 19694 3432 1 8 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.944 -0.294 19694 3433 1 8 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.213 -0.353 19694 3434 1 8 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.791 0.079 19694 3435 1 8 . 1 1 35 35 LEU H H 35 7.660 7.660 7.716 -0.056 19694 3436 1 8 . 1 1 36 36 PHE N N 36 113.900 113.900 112.903 0.997 19694 3437 1 8 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.468 0.129 19694 3438 1 8 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.361 0.499 19694 3439 1 8 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.294 2.276 19694 3440 1 8 . 1 1 36 36 PHE H H 36 7.730 7.730 6.665 1.065 19694 3441 1 8 . 1 1 37 37 ALA N N 37 121.920 121.920 123.295 -1.375 19694 3442 1 8 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.059 0.011 19694 3443 1 8 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.361 0.539 19694 3444 1 8 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.642 0.129 19694 3445 1 8 . 1 1 37 37 ALA H H 37 7.090 7.090 7.776 -0.686 19694 3446 1 8 . 1 1 38 38 ASN N N 38 119.230 119.230 119.519 -0.289 19694 3447 1 8 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.650 -0.200 19694 3448 1 8 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.692 0.158 19694 3449 1 8 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.876 -0.926 19694 3450 1 8 . 1 1 38 38 ASN H H 38 8.790 8.790 8.399 0.391 19694 3451 1 8 . 1 1 39 39 THR N N 39 116.330 116.330 115.732 0.598 19694 3452 1 8 . 1 1 39 39 THR HA H 39 3.990 3.990 4.427 -0.437 19694 3453 1 8 . 1 1 39 39 THR CA C 39 62.130 62.130 62.526 -0.396 19694 3454 1 8 . 1 1 39 39 THR CB C 39 69.920 69.920 69.877 0.043 19694 3455 1 8 . 1 1 39 39 THR H H 39 8.540 8.540 8.212 0.328 19694 3456 1 8 . 1 1 40 40 CYS N N 40 126.950 126.950 127.961 -1.011 19694 3457 1 8 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.479 -0.179 19694 3458 1 8 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.130 1.220 19694 3459 1 8 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.646 4.954 19694 3460 1 8 . 1 1 40 40 CYS H H 40 7.940 7.940 8.547 -0.607 19694 3461 1 8 . 1 1 41 41 GLU N N 41 130.560 130.560 127.601 2.959 19694 3462 1 8 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.836 -0.146 19694 3463 1 8 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.136 -0.537 19694 3464 1 8 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.404 1.056 19694 3465 1 8 . 1 1 41 41 GLU H H 41 8.810 8.810 8.685 0.125 19694 3466 1 8 . 1 1 42 42 GLU N N 42 119.680 119.680 118.258 1.422 19694 3467 1 8 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.355 0.215 19694 3468 1 8 . 1 1 42 42 GLU CA C 42 58.000 58.000 57.990 0.010 19694 3469 1 8 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.672 1.008 19694 3470 1 8 . 1 1 42 42 GLU H H 42 8.500 8.500 8.076 0.424 19694 3471 1 8 . 1 1 43 43 CYS N N 43 115.600 115.600 116.305 -0.705 19694 3472 1 8 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.443 0.567 19694 3473 1 8 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.169 -1.359 19694 3474 1 8 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.635 2.945 19694 3475 1 8 . 1 1 43 43 CYS H H 43 8.120 8.120 7.971 0.149 19694 3476 1 8 . 1 1 44 44 GLY N N 44 112.100 112.100 106.867 5.233 19694 3477 1 8 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.374 1.046 19694 3478 1 8 . 1 1 44 44 GLY H H 44 7.900 7.900 8.601 -0.701 19694 3479 1 8 . 1 1 45 45 LYS N N 45 121.210 121.210 121.804 -0.594 19694 3480 1 8 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.756 0.084 19694 3481 1 8 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.611 1.749 19694 3482 1 8 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.433 -0.003 19694 3483 1 8 . 1 1 45 45 LYS H H 45 8.180 8.180 7.848 0.332 19694 3484 1 8 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.574 -0.097 19694 3485 1 8 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.008 -0.308 19694 3486 1 8 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.052 0.438 19694 3487 1 8 . 1 1 47 47 ILE N N 47 125.280 125.280 123.086 2.194 19694 3488 1 8 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.277 -0.447 19694 3489 1 8 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.751 0.289 19694 3490 1 8 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.629 -0.189 19694 3491 1 8 . 1 1 47 47 ILE H H 47 8.540 8.540 8.844 -0.304 19694 3492 1 8 . 1 1 48 48 GLY N N 48 114.120 114.120 113.410 0.710 19694 3493 1 8 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.725 0.515 19694 3494 1 8 . 1 1 48 48 GLY H H 48 8.660 8.660 8.564 0.096 19694 3495 1 8 . 1 1 49 49 CYS N N 49 117.140 117.140 119.789 -2.649 19694 3496 1 8 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.245 0.035 19694 3497 1 8 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.312 0.568 19694 3498 1 8 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.596 0.054 19694 3499 1 8 . 1 1 49 49 CYS H H 49 9.210 9.210 8.608 0.602 19694 3500 1 8 . 1 1 50 50 ASP N N 50 119.300 119.300 120.205 -0.905 19694 3501 1 8 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.628 -0.008 19694 3502 1 8 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.045 -0.885 19694 3503 1 8 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.411 -0.031 19694 3504 1 8 . 1 1 50 50 ASP H H 50 8.800 8.800 8.466 0.334 19694 3505 1 8 . 1 1 51 51 CYS N N 51 118.150 118.150 117.201 0.949 19694 3506 1 8 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.770 -0.150 19694 3507 1 8 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.959 1.071 19694 3508 1 8 . 1 1 51 51 CYS CB C 51 30.090 30.090 32.232 -2.142 19694 3509 1 8 . 1 1 51 51 CYS H H 51 7.590 7.590 7.407 0.183 19694 3510 1 8 . 1 1 52 52 LYS N N 52 123.800 123.800 122.364 1.436 19694 3511 1 8 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.277 -0.097 19694 3512 1 8 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.854 0.386 19694 3513 1 8 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.551 1.479 19694 3514 1 8 . 1 1 52 52 LYS H H 52 8.600 8.600 8.564 0.036 19694 3515 1 8 . 1 1 53 53 ASP N N 53 124.900 124.900 124.459 0.441 19694 3516 1 8 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.732 -0.502 19694 3517 1 8 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.831 0.299 19694 3518 1 8 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.835 1.395 19694 3519 1 8 . 1 1 53 53 ASP H H 53 8.250 8.250 8.374 -0.124 19694 3520 1 8 . 1 1 54 54 LEU N N 54 130.160 130.160 125.623 4.537 19694 3521 1 8 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.621 -0.181 19694 3522 1 8 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.253 -1.913 19694 3523 1 8 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.150 -1.980 19694 3524 1 8 . 1 1 54 54 LEU H H 54 8.670 8.670 8.922 -0.252 19694 3525 1 8 . 1 1 55 55 SER N N 55 113.820 113.820 119.909 -6.089 19694 3526 1 8 . 1 1 55 55 SER HA H 55 5.580 5.580 5.326 0.254 19694 3527 1 8 . 1 1 55 55 SER CA C 55 55.850 55.850 56.363 -0.513 19694 3528 1 8 . 1 1 55 55 SER CB C 55 67.300 67.300 64.532 2.768 19694 3529 1 8 . 1 1 55 55 SER H H 55 8.160 8.160 8.520 -0.360 19694 3530 1 8 . 1 1 56 56 TYR N N 56 122.610 122.610 126.529 -3.919 19694 3531 1 8 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.655 -0.035 19694 3532 1 8 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.859 -0.049 19694 3533 1 8 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.108 -1.108 19694 3534 1 8 . 1 1 56 56 TYR H H 56 8.450 8.450 8.790 -0.340 19694 3535 1 8 . 1 1 57 57 LYS N N 57 126.020 126.020 126.694 -0.674 19694 3536 1 8 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.946 -0.476 19694 3537 1 8 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.652 0.448 19694 3538 1 8 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.851 -2.371 19694 3539 1 8 . 1 1 57 57 LYS H H 57 8.920 8.920 8.802 0.118 19694 3540 1 8 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.210 -0.380 19694 3541 1 8 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.446 -0.546 19694 3542 1 8 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.605 -0.525 19694 3543 1 8 . 1 1 58 58 ASP H H 58 8.400 8.400 8.608 -0.208 19694 3544 1 8 . 1 1 59 59 ARG N N 59 121.190 121.190 116.485 4.705 19694 3545 1 8 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.313 -0.063 19694 3546 1 8 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.192 1.388 19694 3547 1 8 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.740 -0.280 19694 3548 1 8 . 1 1 59 59 ARG H H 59 7.980 7.980 7.895 0.085 19694 3549 1 8 . 1 1 60 60 HIS N N 60 118.420 118.420 117.741 0.679 19694 3550 1 8 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.582 -0.312 19694 3551 1 8 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.157 -0.147 19694 3552 1 8 . 1 1 60 60 HIS CB C 60 32.380 32.380 32.969 -0.590 19694 3553 1 8 . 1 1 60 60 HIS H H 60 8.350 8.350 8.164 0.186 19694 3554 1 8 . 1 1 61 61 TRP N N 61 119.990 119.990 118.723 1.267 19694 3555 1 8 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.806 1.124 19694 3556 1 8 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.058 0.342 19694 3557 1 8 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.217 1.163 19694 3558 1 8 . 1 1 61 61 TRP H H 61 9.310 9.310 9.249 0.061 19694 3559 1 8 . 1 1 62 62 HIS N N 62 117.270 117.270 121.335 -4.065 19694 3560 1 8 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.872 -0.272 19694 3561 1 8 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.295 1.915 19694 3562 1 8 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.506 0.694 19694 3563 1 8 . 1 1 62 62 HIS H H 62 8.430 8.430 9.125 -0.695 19694 3564 1 8 . 1 1 63 63 GLU N N 63 124.640 124.640 128.744 -4.104 19694 3565 1 8 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.969 -0.142 19694 3566 1 8 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.597 1.423 19694 3567 1 8 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.665 0.645 19694 3568 1 8 . 1 1 63 63 GLU H H 63 9.040 9.040 8.425 0.615 19694 3569 1 8 . 1 1 64 64 ALA N N 64 117.050 117.050 117.717 -0.667 19694 3570 1 8 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.206 0.024 19694 3571 1 8 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.942 1.058 19694 3572 1 8 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.094 -0.214 19694 3573 1 8 . 1 1 64 64 ALA H H 64 8.680 8.680 8.267 0.413 19694 3574 1 8 . 1 1 65 65 CYS N N 65 115.380 115.380 116.763 -1.383 19694 3575 1 8 . 1 1 65 65 CYS HA H 65 4.295 4.295 3.958 0.337 19694 3576 1 8 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.120 -0.270 19694 3577 1 8 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.157 5.683 19694 3578 1 8 . 1 1 65 65 CYS H H 65 7.490 7.490 8.103 -0.613 19694 3579 1 8 . 1 1 66 66 PHE N N 66 122.020 122.020 123.104 -1.084 19694 3580 1 8 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.881 0.009 19694 3581 1 8 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.615 -1.605 19694 3582 1 8 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.174 -0.104 19694 3583 1 8 . 1 1 66 66 PHE H H 66 7.110 7.110 7.566 -0.456 19694 3584 1 8 . 1 1 67 67 HIS N N 67 121.280 121.280 122.086 -0.806 19694 3585 1 8 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.198 -0.478 19694 3586 1 8 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.852 -0.122 19694 3587 1 8 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.685 1.545 19694 3588 1 8 . 1 1 67 67 HIS H H 67 7.380 7.380 8.011 -0.631 19694 3589 1 8 . 1 1 68 68 CYS N N 68 121.590 121.590 118.940 2.650 19694 3590 1 8 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.825 -0.865 19694 3591 1 8 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.281 1.509 19694 3592 1 8 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.193 2.007 19694 3593 1 8 . 1 1 68 68 CYS H H 68 8.530 8.530 8.258 0.272 19694 3594 1 8 . 1 1 69 69 SER N N 69 126.530 126.530 120.650 5.880 19694 3595 1 8 . 1 1 69 69 SER HA H 69 4.310 4.310 4.114 0.196 19694 3596 1 8 . 1 1 69 69 SER CA C 69 61.760 61.760 60.777 0.983 19694 3597 1 8 . 1 1 69 69 SER CB C 69 64.040 64.040 63.214 0.826 19694 3598 1 8 . 1 1 69 69 SER H H 69 9.460 9.460 8.831 0.629 19694 3599 1 8 . 1 1 70 70 GLN N N 70 122.370 122.370 118.652 3.718 19694 3600 1 8 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.466 0.044 19694 3601 1 8 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.326 0.514 19694 3602 1 8 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.681 0.749 19694 3603 1 8 . 1 1 70 70 GLN H H 70 8.980 8.980 7.838 1.142 19694 3604 1 8 . 1 1 71 71 CYS N N 71 118.860 118.860 116.928 1.932 19694 3605 1 8 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.759 -0.039 19694 3606 1 8 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.120 1.650 19694 3607 1 8 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.906 4.004 19694 3608 1 8 . 1 1 71 71 CYS H H 71 8.220 8.220 7.719 0.501 19694 3609 1 8 . 1 1 72 72 ARG N N 72 114.380 114.380 117.147 -2.767 19694 3610 1 8 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.808 0.157 19694 3611 1 8 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.209 0.821 19694 3612 1 8 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.080 0.640 19694 3613 1 8 . 1 1 72 72 ARG H H 72 7.380 7.380 7.766 -0.386 19694 3614 1 8 . 1 1 73 73 ASN N N 73 121.480 121.480 117.398 4.082 19694 3615 1 8 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.660 -0.030 19694 3616 1 8 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.065 0.045 19694 3617 1 8 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.526 -0.656 19694 3618 1 8 . 1 1 73 73 ASN H H 73 8.722 8.722 8.179 0.543 19694 3619 1 8 . 1 1 74 74 SER N N 74 114.710 114.710 117.748 -3.038 19694 3620 1 8 . 1 1 74 74 SER HA H 74 4.060 4.060 4.806 -0.746 19694 3621 1 8 . 1 1 74 74 SER CA C 74 59.357 59.357 58.149 1.208 19694 3622 1 8 . 1 1 74 74 SER CB C 74 63.300 63.300 62.622 0.678 19694 3623 1 8 . 1 1 74 74 SER H H 74 8.690 8.690 8.495 0.195 19694 3624 1 8 . 1 1 75 75 LEU N N 75 125.757 125.757 127.730 -1.973 19694 3625 1 8 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.265 0.015 19694 3626 1 8 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.918 -1.408 19694 3627 1 8 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.793 0.407 19694 3628 1 8 . 1 1 75 75 LEU H H 75 7.970 7.970 8.010 -0.040 19694 3629 1 8 . 1 1 76 76 VAL N N 76 120.860 120.860 124.565 -3.705 19694 3630 1 8 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.791 -0.221 19694 3631 1 8 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.997 4.423 19694 3632 1 8 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.004 -3.464 19694 3633 1 8 . 1 1 76 76 VAL H H 76 7.830 7.830 7.992 -0.162 19694 3634 1 8 . 1 1 77 77 ASP N N 77 122.360 122.360 122.488 -0.128 19694 3635 1 8 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.438 -0.208 19694 3636 1 8 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.824 0.376 19694 3637 1 8 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.825 -1.445 19694 3638 1 8 . 1 1 77 77 ASP H H 77 8.910 8.910 8.582 0.328 19694 3639 1 8 . 1 1 78 78 LYS N N 78 118.100 118.100 119.056 -0.956 19694 3640 1 8 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.548 0.322 19694 3641 1 8 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.937 3.023 19694 3642 1 8 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.694 0.986 19694 3643 1 8 . 1 1 78 78 LYS H H 78 7.660 7.660 7.560 0.100 19694 3644 1 8 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.212 0.248 19694 3645 1 8 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.992 -0.472 19694 3646 1 8 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.847 0.313 19694 3647 1 8 . 1 1 80 80 PHE N N 80 114.050 114.050 117.044 -2.994 19694 3648 1 8 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.051 -0.141 19694 3649 1 8 . 1 1 80 80 PHE CA C 80 56.060 56.060 54.965 1.095 19694 3650 1 8 . 1 1 80 80 PHE CB C 80 42.410 42.410 42.000 0.410 19694 3651 1 8 . 1 1 80 80 PHE H H 80 7.510 7.510 7.147 0.363 19694 3652 1 8 . 1 1 81 81 ALA N N 81 123.290 123.290 123.716 -0.426 19694 3653 1 8 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.345 -0.035 19694 3654 1 8 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.373 0.077 19694 3655 1 8 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.936 2.984 19694 3656 1 8 . 1 1 81 81 ALA H H 81 9.030 9.030 8.981 0.049 19694 3657 1 8 . 1 1 82 82 ALA N N 82 122.490 122.490 128.677 -6.187 19694 3658 1 8 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.405 0.705 19694 3659 1 8 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.940 -0.840 19694 3660 1 8 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.792 2.338 19694 3661 1 8 . 1 1 82 82 ALA H H 82 8.240 8.240 8.591 -0.351 19694 3662 1 8 . 1 1 83 83 LYS N N 83 123.580 123.580 126.098 -2.518 19694 3663 1 8 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.498 -0.008 19694 3664 1 8 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.423 0.377 19694 3665 1 8 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.097 0.623 19694 3666 1 8 . 1 1 83 83 LYS H H 83 8.400 8.400 8.324 0.076 19694 3667 1 8 . 1 1 84 84 GLU N N 84 125.470 125.470 120.675 4.795 19694 3668 1 8 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.120 -0.300 19694 3669 1 8 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.029 -0.409 19694 3670 1 8 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.733 -2.523 19694 3671 1 8 . 1 1 84 84 GLU H H 84 9.320 9.320 8.784 0.536 19694 3672 1 8 . 1 1 85 85 ASP N N 85 118.550 118.550 114.263 4.287 19694 3673 1 8 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.782 -0.182 19694 3674 1 8 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.016 1.384 19694 3675 1 8 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.922 -1.522 19694 3676 1 8 . 1 1 85 85 ASP H H 85 8.730 8.730 8.252 0.478 19694 3677 1 8 . 1 1 86 86 GLN N N 86 119.050 119.050 116.299 2.751 19694 3678 1 8 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.489 0.051 19694 3679 1 8 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.805 1.295 19694 3680 1 8 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.556 -0.446 19694 3681 1 8 . 1 1 86 86 GLN H H 86 8.170 8.170 7.643 0.527 19694 3682 1 8 . 1 1 87 87 LEU N N 87 123.110 123.110 121.344 1.766 19694 3683 1 8 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.203 -0.583 19694 3684 1 8 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.016 0.505 19694 3685 1 8 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.522 -1.822 19694 3686 1 8 . 1 1 87 87 LEU H H 87 8.490 8.490 8.511 -0.021 19694 3687 1 8 . 1 1 88 88 LEU N N 88 123.690 123.690 120.243 3.447 19694 3688 1 8 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.953 0.927 19694 3689 1 8 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.759 0.581 19694 3690 1 8 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.780 -0.590 19694 3691 1 8 . 1 1 88 88 LEU H H 88 8.930 8.930 8.337 0.593 19694 3692 1 8 . 1 1 89 89 CYS N N 89 122.270 122.270 119.576 2.694 19694 3693 1 8 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.825 -0.045 19694 3694 1 8 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.195 -1.555 19694 3695 1 8 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.241 2.699 19694 3696 1 8 . 1 1 89 89 CYS H H 89 9.430 9.430 8.995 0.435 19694 3697 1 8 . 1 1 90 90 THR N N 90 110.620 110.620 117.034 -6.414 19694 3698 1 8 . 1 1 90 90 THR HA H 90 3.900 3.900 3.941 -0.041 19694 3699 1 8 . 1 1 90 90 THR CA C 90 65.460 65.460 66.108 -0.648 19694 3700 1 8 . 1 1 90 90 THR CB C 90 68.670 68.670 68.818 -0.148 19694 3701 1 8 . 1 1 90 90 THR H H 90 8.410 8.410 8.887 -0.477 19694 3702 1 8 . 1 1 91 91 ASP N N 91 123.470 123.470 121.835 1.635 19694 3703 1 8 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.682 -0.192 19694 3704 1 8 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.994 -0.184 19694 3705 1 8 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.899 0.261 19694 3706 1 8 . 1 1 91 91 ASP H H 91 8.150 8.150 8.405 -0.255 19694 3707 1 8 . 1 1 92 92 CYS N N 92 123.800 123.800 119.661 4.139 19694 3708 1 8 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.394 -0.424 19694 3709 1 8 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.102 2.998 19694 3710 1 8 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.084 4.006 19694 3711 1 8 . 1 1 92 92 CYS H H 92 8.580 8.580 7.792 0.788 19694 3712 1 8 . 1 1 93 93 TYR N N 93 120.730 120.730 121.032 -0.302 19694 3713 1 8 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.091 0.049 19694 3714 1 8 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.264 -0.884 19694 3715 1 8 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.392 0.908 19694 3716 1 8 . 1 1 93 93 TYR H H 93 8.540 8.540 9.140 -0.600 19694 3717 1 8 . 1 1 94 94 SER N N 94 115.010 115.010 113.402 1.608 19694 3718 1 8 . 1 1 94 94 SER HA H 94 4.220 4.220 4.231 -0.011 19694 3719 1 8 . 1 1 94 94 SER CA C 94 59.300 59.300 61.336 -2.036 19694 3720 1 8 . 1 1 94 94 SER CB C 94 63.660 63.660 62.550 1.109 19694 3721 1 8 . 1 1 94 94 SER H H 94 7.750 7.750 8.133 -0.383 19694 3722 1 8 . 1 1 95 95 ASN N N 95 119.820 119.820 119.187 0.633 19694 3723 1 8 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.572 -0.062 19694 3724 1 8 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.696 -1.816 19694 3725 1 8 . 1 1 95 95 ASN CB C 95 39.300 39.300 39.146 0.154 19694 3726 1 8 . 1 1 95 95 ASN H H 95 7.780 7.780 7.911 -0.131 19694 3727 1 8 . 1 1 96 96 GLU N N 96 119.820 119.820 116.999 2.821 19694 3728 1 8 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.221 -0.125 19694 3729 1 8 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.693 -0.783 19694 3730 1 8 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.535 0.685 19694 3731 1 8 . 1 1 96 96 GLU H H 96 7.950 7.950 7.541 0.409 19694 3732 1 8 . 1 1 97 97 TYR N N 97 120.370 120.370 121.955 -1.585 19694 3733 1 8 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.111 0.509 19694 3734 1 8 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.050 -1.351 19694 3735 1 8 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.496 0.214 19694 3736 1 8 . 1 1 97 97 TYR H H 97 8.070 8.070 8.584 -0.514 19694 3737 1 9 . 1 1 2 2 THR N N 2 113.570 113.570 116.929 -3.359 19694 3738 1 9 . 1 1 2 2 THR HA H 2 4.240 4.240 4.329 -0.089 19694 3739 1 9 . 1 1 2 2 THR CA C 2 62.130 62.130 63.043 -0.913 19694 3740 1 9 . 1 1 2 2 THR CB C 2 69.250 69.250 69.162 0.088 19694 3741 1 9 . 1 1 2 2 THR H H 2 8.090 8.090 8.293 -0.203 19694 3742 1 9 . 1 1 3 3 GLU N N 3 122.880 122.880 121.285 1.595 19694 3743 1 9 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.391 -0.111 19694 3744 1 9 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.614 1.246 19694 3745 1 9 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.419 0.151 19694 3746 1 9 . 1 1 3 3 GLU H H 3 8.280 8.280 8.051 0.229 19694 3747 1 9 . 1 1 4 4 ARG N N 4 121.330 121.330 119.850 1.480 19694 3748 1 9 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.546 -0.246 19694 3749 1 9 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.674 0.196 19694 3750 1 9 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.861 0.779 19694 3751 1 9 . 1 1 4 4 ARG H H 4 8.280 8.280 8.509 -0.229 19694 3752 1 9 . 1 1 5 5 PHE N N 5 125.490 125.490 123.794 1.696 19694 3753 1 9 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.626 -0.016 19694 3754 1 9 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.237 0.143 19694 3755 1 9 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.782 -0.223 19694 3756 1 9 . 1 1 5 5 PHE H H 5 8.290 8.290 8.676 -0.386 19694 3757 1 9 . 1 1 6 6 ASP N N 6 123.260 123.260 119.547 3.713 19694 3758 1 9 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.846 0.199 19694 3759 1 9 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.079 0.101 19694 3760 1 9 . 1 1 6 6 ASP CB C 6 44.210 44.210 43.287 0.923 19694 3761 1 9 . 1 1 6 6 ASP H H 6 7.940 7.940 7.554 0.386 19694 3762 1 9 . 1 1 7 7 CYS N N 7 121.440 121.440 121.839 -0.399 19694 3763 1 9 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.427 -0.467 19694 3764 1 9 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.477 0.343 19694 3765 1 9 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.097 4.853 19694 3766 1 9 . 1 1 7 7 CYS H H 7 8.700 8.700 8.506 0.194 19694 3767 1 9 . 1 1 8 8 HIS N N 8 129.390 129.390 128.920 0.470 19694 3768 1 9 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.225 -0.025 19694 3769 1 9 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.243 -1.003 19694 3770 1 9 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.019 -0.539 19694 3771 1 9 . 1 1 8 8 HIS H H 8 9.160 9.160 9.510 -0.350 19694 3772 1 9 . 1 1 9 9 HIS N N 9 118.740 118.740 117.513 1.227 19694 3773 1 9 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.407 0.473 19694 3774 1 9 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.098 1.582 19694 3775 1 9 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.334 0.706 19694 3776 1 9 . 1 1 9 9 HIS H H 9 9.270 9.270 7.998 1.272 19694 3777 1 9 . 1 1 10 10 CYS N N 10 118.600 118.600 117.529 1.071 19694 3778 1 9 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.425 0.175 19694 3779 1 9 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.207 0.393 19694 3780 1 9 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.981 4.349 19694 3781 1 9 . 1 1 10 10 CYS H H 10 8.550 8.550 7.867 0.683 19694 3782 1 9 . 1 1 11 11 ASN N N 11 116.220 116.220 117.113 -0.893 19694 3783 1 9 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.388 0.022 19694 3784 1 9 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.487 1.153 19694 3785 1 9 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.483 1.717 19694 3786 1 9 . 1 1 11 11 ASN H H 11 7.690 7.690 8.772 -1.082 19694 3787 1 9 . 1 1 12 12 GLU N N 12 120.330 120.330 118.222 2.108 19694 3788 1 9 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.576 -0.356 19694 3789 1 9 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.861 1.839 19694 3790 1 9 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.024 -0.114 19694 3791 1 9 . 1 1 12 12 GLU H H 12 8.210 8.210 7.712 0.498 19694 3792 1 9 . 1 1 13 13 SER N N 13 116.190 116.190 120.363 -4.173 19694 3793 1 9 . 1 1 13 13 SER HA H 13 4.060 4.060 4.387 -0.327 19694 3794 1 9 . 1 1 13 13 SER CA C 13 59.350 59.350 58.956 0.394 19694 3795 1 9 . 1 1 13 13 SER CB C 13 63.820 63.820 63.603 0.217 19694 3796 1 9 . 1 1 13 13 SER H H 13 8.520 8.520 8.640 -0.120 19694 3797 1 9 . 1 1 14 14 LEU N N 14 126.060 126.060 124.581 1.479 19694 3798 1 9 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.321 -0.011 19694 3799 1 9 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.565 -1.464 19694 3800 1 9 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.706 0.494 19694 3801 1 9 . 1 1 14 14 LEU H H 14 8.910 8.910 7.766 1.144 19694 3802 1 9 . 1 1 15 15 PHE N N 15 120.660 120.660 121.124 -0.464 19694 3803 1 9 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.619 -0.139 19694 3804 1 9 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.607 3.793 19694 3805 1 9 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.902 0.228 19694 3806 1 9 . 1 1 15 15 PHE H H 15 7.820 7.820 8.597 -0.777 19694 3807 1 9 . 1 1 16 16 GLY N N 16 114.730 114.730 110.936 3.794 19694 3808 1 9 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.810 0.090 19694 3809 1 9 . 1 1 16 16 GLY H H 16 8.860 8.860 8.813 0.047 19694 3810 1 9 . 1 1 17 17 LYS N N 17 119.580 119.580 119.842 -0.262 19694 3811 1 9 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.480 0.000 19694 3812 1 9 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.563 -0.103 19694 3813 1 9 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.012 1.788 19694 3814 1 9 . 1 1 17 17 LYS H H 17 8.030 8.030 7.262 0.768 19694 3815 1 9 . 1 1 18 18 LYS N N 18 120.330 120.330 122.052 -1.722 19694 3816 1 9 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.341 -0.061 19694 3817 1 9 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.577 -0.777 19694 3818 1 9 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.032 -0.022 19694 3819 1 9 . 1 1 18 18 LYS H H 18 8.190 8.190 8.544 -0.354 19694 3820 1 9 . 1 1 19 19 TYR N N 19 117.500 117.500 114.493 3.007 19694 3821 1 9 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.787 0.453 19694 3822 1 9 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.422 -1.082 19694 3823 1 9 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.267 2.583 19694 3824 1 9 . 1 1 19 19 TYR H H 19 7.610 7.610 7.915 -0.305 19694 3825 1 9 . 1 1 20 20 ILE N N 20 121.430 121.430 121.796 -0.366 19694 3826 1 9 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.255 -0.118 19694 3827 1 9 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.119 -0.109 19694 3828 1 9 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.666 0.904 19694 3829 1 9 . 1 1 20 20 ILE H H 20 9.350 9.350 8.232 1.118 19694 3830 1 9 . 1 1 21 21 LEU N N 21 126.720 126.720 125.977 0.743 19694 3831 1 9 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.780 0.310 19694 3832 1 9 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.934 0.086 19694 3833 1 9 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.874 2.846 19694 3834 1 9 . 1 1 21 21 LEU H H 21 8.530 8.530 8.506 0.024 19694 3835 1 9 . 1 1 22 22 ARG N N 22 123.930 123.930 126.233 -2.303 19694 3836 1 9 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.500 -0.060 19694 3837 1 9 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.558 1.042 19694 3838 1 9 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.276 0.004 19694 3839 1 9 . 1 1 22 22 ARG H H 22 9.080 9.080 8.848 0.233 19694 3840 1 9 . 1 1 23 23 GLU N N 23 128.500 128.500 123.563 4.937 19694 3841 1 9 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.939 -0.099 19694 3842 1 9 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.928 0.102 19694 3843 1 9 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.771 -0.571 19694 3844 1 9 . 1 1 23 23 GLU H H 23 9.610 9.610 8.995 0.615 19694 3845 1 9 . 1 1 24 24 GLU N N 24 110.300 110.300 113.079 -2.779 19694 3846 1 9 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.988 -0.208 19694 3847 1 9 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.374 0.946 19694 3848 1 9 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.505 -0.285 19694 3849 1 9 . 1 1 24 24 GLU H H 24 8.660 8.660 8.693 -0.033 19694 3850 1 9 . 1 1 25 25 SER N N 25 117.700 117.700 112.900 4.800 19694 3851 1 9 . 1 1 25 25 SER HA H 25 4.890 4.890 4.784 0.106 19694 3852 1 9 . 1 1 25 25 SER CA C 25 56.540 56.540 55.776 0.764 19694 3853 1 9 . 1 1 25 25 SER CB C 25 64.720 64.720 64.688 0.032 19694 3854 1 9 . 1 1 25 25 SER H H 25 7.900 7.900 7.759 0.141 19694 3855 1 9 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.870 0.125 19694 3856 1 9 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.119 -1.369 19694 3857 1 9 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.608 1.052 19694 3858 1 9 . 1 1 27 27 TYR N N 27 118.100 118.100 123.709 -5.609 19694 3859 1 9 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.978 0.932 19694 3860 1 9 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.868 1.962 19694 3861 1 9 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.515 0.295 19694 3862 1 9 . 1 1 27 27 TYR H H 27 9.040 9.040 8.690 0.350 19694 3863 1 9 . 1 1 28 28 CYS N N 28 122.230 122.230 119.274 2.956 19694 3864 1 9 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.719 0.131 19694 3865 1 9 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.079 0.031 19694 3866 1 9 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.167 1.363 19694 3867 1 9 . 1 1 28 28 CYS H H 28 9.850 9.850 8.372 1.478 19694 3868 1 9 . 1 1 29 29 VAL N N 29 118.200 118.200 122.234 -4.034 19694 3869 1 9 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.753 -0.103 19694 3870 1 9 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.420 0.980 19694 3871 1 9 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.703 0.157 19694 3872 1 9 . 1 1 29 29 VAL H H 29 8.430 8.430 8.851 -0.421 19694 3873 1 9 . 1 1 30 30 VAL N N 30 119.570 119.570 117.833 1.737 19694 3874 1 9 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.614 0.246 19694 3875 1 9 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.652 -0.202 19694 3876 1 9 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.883 0.657 19694 3877 1 9 . 1 1 30 30 VAL H H 30 7.700 7.700 7.848 -0.148 19694 3878 1 9 . 1 1 31 31 CYS N N 31 125.890 125.890 119.316 6.574 19694 3879 1 9 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.886 -0.056 19694 3880 1 9 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.360 1.490 19694 3881 1 9 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.573 3.937 19694 3882 1 9 . 1 1 31 31 CYS H H 31 9.050 9.050 7.599 1.451 19694 3883 1 9 . 1 1 32 32 PHE N N 32 119.000 119.000 119.313 -0.313 19694 3884 1 9 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.671 0.109 19694 3885 1 9 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.755 0.855 19694 3886 1 9 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.030 0.890 19694 3887 1 9 . 1 1 32 32 PHE H H 32 9.080 9.080 7.871 1.209 19694 3888 1 9 . 1 1 33 33 GLU N N 33 117.470 117.470 117.759 -0.289 19694 3889 1 9 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.051 -0.291 19694 3890 1 9 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.480 -0.270 19694 3891 1 9 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.188 0.292 19694 3892 1 9 . 1 1 33 33 GLU H H 33 8.510 8.510 8.190 0.320 19694 3893 1 9 . 1 1 34 34 THR N N 34 114.140 114.140 115.329 -1.189 19694 3894 1 9 . 1 1 34 34 THR HA H 34 3.730 3.730 3.974 -0.244 19694 3895 1 9 . 1 1 34 34 THR CA C 34 65.890 65.890 65.531 0.358 19694 3896 1 9 . 1 1 34 34 THR CB C 34 69.210 69.210 68.609 0.601 19694 3897 1 9 . 1 1 34 34 THR H H 34 7.880 7.880 8.314 -0.434 19694 3898 1 9 . 1 1 35 35 LEU N N 35 117.980 117.980 118.824 -0.844 19694 3899 1 9 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.933 -0.283 19694 3900 1 9 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.232 -0.372 19694 3901 1 9 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.777 0.093 19694 3902 1 9 . 1 1 35 35 LEU H H 35 7.660 7.660 7.767 -0.107 19694 3903 1 9 . 1 1 36 36 PHE N N 36 113.900 113.900 112.957 0.943 19694 3904 1 9 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.466 0.131 19694 3905 1 9 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.436 0.424 19694 3906 1 9 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.279 2.291 19694 3907 1 9 . 1 1 36 36 PHE H H 36 7.730 7.730 6.679 1.051 19694 3908 1 9 . 1 1 37 37 ALA N N 37 121.920 121.920 123.327 -1.407 19694 3909 1 9 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.086 -0.016 19694 3910 1 9 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.247 0.653 19694 3911 1 9 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.709 0.061 19694 3912 1 9 . 1 1 37 37 ALA H H 37 7.090 7.090 7.784 -0.694 19694 3913 1 9 . 1 1 38 38 ASN N N 38 119.230 119.230 119.304 -0.074 19694 3914 1 9 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.633 -0.183 19694 3915 1 9 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.763 0.087 19694 3916 1 9 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.009 -1.059 19694 3917 1 9 . 1 1 38 38 ASN H H 38 8.790 8.790 8.344 0.446 19694 3918 1 9 . 1 1 39 39 THR N N 39 116.330 116.330 115.573 0.757 19694 3919 1 9 . 1 1 39 39 THR HA H 39 3.990 3.990 4.419 -0.429 19694 3920 1 9 . 1 1 39 39 THR CA C 39 62.130 62.130 62.378 -0.248 19694 3921 1 9 . 1 1 39 39 THR CB C 39 69.920 69.920 69.950 -0.030 19694 3922 1 9 . 1 1 39 39 THR H H 39 8.540 8.540 8.165 0.375 19694 3923 1 9 . 1 1 40 40 CYS N N 40 126.950 126.950 127.787 -0.837 19694 3924 1 9 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.492 -0.192 19694 3925 1 9 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.000 1.350 19694 3926 1 9 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.612 4.988 19694 3927 1 9 . 1 1 40 40 CYS H H 40 7.940 7.940 8.552 -0.612 19694 3928 1 9 . 1 1 41 41 GLU N N 41 130.560 130.560 127.549 3.011 19694 3929 1 9 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.823 -0.133 19694 3930 1 9 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.119 -0.519 19694 3931 1 9 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.386 1.075 19694 3932 1 9 . 1 1 41 41 GLU H H 41 8.810 8.810 8.656 0.154 19694 3933 1 9 . 1 1 42 42 GLU N N 42 119.680 119.680 118.268 1.412 19694 3934 1 9 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.331 0.239 19694 3935 1 9 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.097 -0.097 19694 3936 1 9 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.575 1.105 19694 3937 1 9 . 1 1 42 42 GLU H H 42 8.500 8.500 8.103 0.397 19694 3938 1 9 . 1 1 43 43 CYS N N 43 115.600 115.600 116.425 -0.825 19694 3939 1 9 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.575 0.435 19694 3940 1 9 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.159 -1.349 19694 3941 1 9 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.271 2.309 19694 3942 1 9 . 1 1 43 43 CYS H H 43 8.120 8.120 7.974 0.146 19694 3943 1 9 . 1 1 44 44 GLY N N 44 112.100 112.100 107.540 4.560 19694 3944 1 9 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.223 1.197 19694 3945 1 9 . 1 1 44 44 GLY H H 44 7.900 7.900 8.630 -0.730 19694 3946 1 9 . 1 1 45 45 LYS N N 45 121.210 121.210 121.866 -0.656 19694 3947 1 9 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.675 0.166 19694 3948 1 9 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.815 1.545 19694 3949 1 9 . 1 1 45 45 LYS CB C 45 32.430 32.430 33.010 -0.580 19694 3950 1 9 . 1 1 45 45 LYS H H 45 8.180 8.180 7.849 0.331 19694 3951 1 9 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.541 -0.064 19694 3952 1 9 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.018 -0.318 19694 3953 1 9 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.071 0.419 19694 3954 1 9 . 1 1 47 47 ILE N N 47 125.280 125.280 123.133 2.147 19694 3955 1 9 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.272 -0.442 19694 3956 1 9 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.667 0.373 19694 3957 1 9 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.700 -0.260 19694 3958 1 9 . 1 1 47 47 ILE H H 47 8.540 8.540 8.896 -0.356 19694 3959 1 9 . 1 1 48 48 GLY N N 48 114.120 114.120 113.768 0.352 19694 3960 1 9 . 1 1 48 48 GLY CA C 48 45.240 45.240 45.059 0.181 19694 3961 1 9 . 1 1 48 48 GLY H H 48 8.660 8.660 8.592 0.068 19694 3962 1 9 . 1 1 49 49 CYS N N 49 117.140 117.140 123.237 -6.097 19694 3963 1 9 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.243 0.037 19694 3964 1 9 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.159 0.721 19694 3965 1 9 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.696 -0.046 19694 3966 1 9 . 1 1 49 49 CYS H H 49 9.210 9.210 8.703 0.507 19694 3967 1 9 . 1 1 50 50 ASP N N 50 119.300 119.300 121.019 -1.719 19694 3968 1 9 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.730 -0.110 19694 3969 1 9 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.749 -1.589 19694 3970 1 9 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.337 0.043 19694 3971 1 9 . 1 1 50 50 ASP H H 50 8.800 8.800 8.209 0.591 19694 3972 1 9 . 1 1 51 51 CYS N N 51 118.150 118.150 116.483 1.667 19694 3973 1 9 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.656 -0.036 19694 3974 1 9 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.718 1.312 19694 3975 1 9 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.777 -1.687 19694 3976 1 9 . 1 1 51 51 CYS H H 51 7.590 7.590 7.134 0.456 19694 3977 1 9 . 1 1 52 52 LYS N N 52 123.800 123.800 122.305 1.495 19694 3978 1 9 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.308 -0.128 19694 3979 1 9 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.572 0.668 19694 3980 1 9 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.479 1.551 19694 3981 1 9 . 1 1 52 52 LYS H H 52 8.600 8.600 8.506 0.094 19694 3982 1 9 . 1 1 53 53 ASP N N 53 124.900 124.900 124.116 0.784 19694 3983 1 9 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.765 -0.535 19694 3984 1 9 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.490 0.640 19694 3985 1 9 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.675 1.555 19694 3986 1 9 . 1 1 53 53 ASP H H 53 8.250 8.250 8.290 -0.040 19694 3987 1 9 . 1 1 54 54 LEU N N 54 130.160 130.160 125.982 4.178 19694 3988 1 9 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.566 -0.126 19694 3989 1 9 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.371 -2.031 19694 3990 1 9 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.106 -1.936 19694 3991 1 9 . 1 1 54 54 LEU H H 54 8.670 8.670 8.900 -0.230 19694 3992 1 9 . 1 1 55 55 SER N N 55 113.820 113.820 120.639 -6.819 19694 3993 1 9 . 1 1 55 55 SER HA H 55 5.580 5.580 5.153 0.427 19694 3994 1 9 . 1 1 55 55 SER CA C 55 55.850 55.850 56.599 -0.749 19694 3995 1 9 . 1 1 55 55 SER CB C 55 67.300 67.300 64.449 2.851 19694 3996 1 9 . 1 1 55 55 SER H H 55 8.160 8.160 8.465 -0.305 19694 3997 1 9 . 1 1 56 56 TYR N N 56 122.610 122.610 128.194 -5.584 19694 3998 1 9 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.636 -0.016 19694 3999 1 9 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.944 -0.134 19694 4000 1 9 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.690 -0.690 19694 4001 1 9 . 1 1 56 56 TYR H H 56 8.450 8.450 8.766 -0.316 19694 4002 1 9 . 1 1 57 57 LYS N N 57 126.020 126.020 128.337 -2.317 19694 4003 1 9 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.957 -0.487 19694 4004 1 9 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.837 0.263 19694 4005 1 9 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.350 -1.870 19694 4006 1 9 . 1 1 57 57 LYS H H 57 8.920 8.920 8.966 -0.046 19694 4007 1 9 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.282 -0.452 19694 4008 1 9 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.857 -0.957 19694 4009 1 9 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.705 -0.625 19694 4010 1 9 . 1 1 58 58 ASP H H 58 8.400 8.400 8.562 -0.162 19694 4011 1 9 . 1 1 59 59 ARG N N 59 121.190 121.190 116.015 5.175 19694 4012 1 9 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.570 -0.320 19694 4013 1 9 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.058 1.522 19694 4014 1 9 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.428 0.032 19694 4015 1 9 . 1 1 59 59 ARG H H 59 7.980 7.980 7.955 0.025 19694 4016 1 9 . 1 1 60 60 HIS N N 60 118.420 118.420 117.819 0.601 19694 4017 1 9 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.665 -0.395 19694 4018 1 9 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.351 -0.341 19694 4019 1 9 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.253 -0.873 19694 4020 1 9 . 1 1 60 60 HIS H H 60 8.350 8.350 8.148 0.202 19694 4021 1 9 . 1 1 61 61 TRP N N 61 119.990 119.990 118.303 1.687 19694 4022 1 9 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.796 1.134 19694 4023 1 9 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.128 0.272 19694 4024 1 9 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.203 1.177 19694 4025 1 9 . 1 1 61 61 TRP H H 61 9.310 9.310 9.293 0.017 19694 4026 1 9 . 1 1 62 62 HIS N N 62 117.270 117.270 120.659 -3.389 19694 4027 1 9 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.897 -0.297 19694 4028 1 9 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.365 1.845 19694 4029 1 9 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.428 0.772 19694 4030 1 9 . 1 1 62 62 HIS H H 62 8.430 8.430 9.143 -0.713 19694 4031 1 9 . 1 1 63 63 GLU N N 63 124.640 124.640 127.890 -3.250 19694 4032 1 9 . 1 1 63 63 GLU HA H 63 3.827 3.827 4.028 -0.201 19694 4033 1 9 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.426 1.594 19694 4034 1 9 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.469 0.841 19694 4035 1 9 . 1 1 63 63 GLU H H 63 9.040 9.040 8.325 0.715 19694 4036 1 9 . 1 1 64 64 ALA N N 64 117.050 117.050 117.978 -0.928 19694 4037 1 9 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.408 -0.178 19694 4038 1 9 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.012 0.988 19694 4039 1 9 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.006 -0.126 19694 4040 1 9 . 1 1 64 64 ALA H H 64 8.680 8.680 8.259 0.421 19694 4041 1 9 . 1 1 65 65 CYS N N 65 115.380 115.380 117.510 -2.130 19694 4042 1 9 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.577 -0.282 19694 4043 1 9 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.635 -0.784 19694 4044 1 9 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.531 5.309 19694 4045 1 9 . 1 1 65 65 CYS H H 65 7.490 7.490 8.226 -0.736 19694 4046 1 9 . 1 1 66 66 PHE N N 66 122.020 122.020 122.900 -0.880 19694 4047 1 9 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.835 0.055 19694 4048 1 9 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.592 -1.582 19694 4049 1 9 . 1 1 66 66 PHE CB C 66 38.070 38.070 37.973 0.097 19694 4050 1 9 . 1 1 66 66 PHE H H 66 7.110 7.110 7.729 -0.619 19694 4051 1 9 . 1 1 67 67 HIS N N 67 121.280 121.280 121.059 0.221 19694 4052 1 9 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.269 -0.549 19694 4053 1 9 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.736 -1.006 19694 4054 1 9 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.852 0.378 19694 4055 1 9 . 1 1 67 67 HIS H H 67 7.380 7.380 7.037 0.343 19694 4056 1 9 . 1 1 68 68 CYS N N 68 121.590 121.590 118.902 2.688 19694 4057 1 9 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.957 -0.997 19694 4058 1 9 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.089 1.701 19694 4059 1 9 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.505 1.695 19694 4060 1 9 . 1 1 68 68 CYS H H 68 8.530 8.530 8.379 0.151 19694 4061 1 9 . 1 1 69 69 SER N N 69 126.530 126.530 119.633 6.897 19694 4062 1 9 . 1 1 69 69 SER HA H 69 4.310 4.310 4.286 0.024 19694 4063 1 9 . 1 1 69 69 SER CA C 69 61.760 61.760 61.082 0.678 19694 4064 1 9 . 1 1 69 69 SER CB C 69 64.040 64.040 63.459 0.581 19694 4065 1 9 . 1 1 69 69 SER H H 69 9.460 9.460 8.693 0.767 19694 4066 1 9 . 1 1 70 70 GLN N N 70 122.370 122.370 118.591 3.779 19694 4067 1 9 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.396 0.114 19694 4068 1 9 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.531 0.309 19694 4069 1 9 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.390 1.040 19694 4070 1 9 . 1 1 70 70 GLN H H 70 8.980 8.980 7.978 1.002 19694 4071 1 9 . 1 1 71 71 CYS N N 71 118.860 118.860 115.620 3.240 19694 4072 1 9 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.731 -0.011 19694 4073 1 9 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.520 1.250 19694 4074 1 9 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.331 3.579 19694 4075 1 9 . 1 1 71 71 CYS H H 71 8.220 8.220 7.736 0.484 19694 4076 1 9 . 1 1 72 72 ARG N N 72 114.380 114.380 115.297 -0.917 19694 4077 1 9 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.954 0.011 19694 4078 1 9 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.194 0.835 19694 4079 1 9 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.113 0.607 19694 4080 1 9 . 1 1 72 72 ARG H H 72 7.380 7.380 7.852 -0.472 19694 4081 1 9 . 1 1 73 73 ASN N N 73 121.480 121.480 116.472 5.008 19694 4082 1 9 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.674 -0.044 19694 4083 1 9 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.885 0.225 19694 4084 1 9 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.547 -0.677 19694 4085 1 9 . 1 1 73 73 ASN H H 73 8.722 8.722 8.133 0.589 19694 4086 1 9 . 1 1 74 74 SER N N 74 114.710 114.710 117.661 -2.951 19694 4087 1 9 . 1 1 74 74 SER HA H 74 4.060 4.060 4.881 -0.821 19694 4088 1 9 . 1 1 74 74 SER CA C 74 59.357 59.357 58.388 0.969 19694 4089 1 9 . 1 1 74 74 SER CB C 74 63.300 63.300 62.995 0.305 19694 4090 1 9 . 1 1 74 74 SER H H 74 8.690 8.690 8.496 0.194 19694 4091 1 9 . 1 1 75 75 LEU N N 75 125.757 125.757 127.759 -2.002 19694 4092 1 9 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.273 0.007 19694 4093 1 9 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.894 -1.384 19694 4094 1 9 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.750 0.450 19694 4095 1 9 . 1 1 75 75 LEU H H 75 7.970 7.970 8.022 -0.052 19694 4096 1 9 . 1 1 76 76 VAL N N 76 120.860 120.860 124.451 -3.591 19694 4097 1 9 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.812 -0.242 19694 4098 1 9 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.991 4.429 19694 4099 1 9 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.050 -3.510 19694 4100 1 9 . 1 1 76 76 VAL H H 76 7.830 7.830 8.001 -0.171 19694 4101 1 9 . 1 1 77 77 ASP N N 77 122.360 122.360 123.333 -0.973 19694 4102 1 9 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.477 -0.247 19694 4103 1 9 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.861 0.339 19694 4104 1 9 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.994 -1.614 19694 4105 1 9 . 1 1 77 77 ASP H H 77 8.910 8.910 8.422 0.488 19694 4106 1 9 . 1 1 78 78 LYS N N 78 118.100 118.100 118.390 -0.290 19694 4107 1 9 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.626 0.244 19694 4108 1 9 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.660 3.300 19694 4109 1 9 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.732 0.948 19694 4110 1 9 . 1 1 78 78 LYS H H 78 7.660 7.660 7.576 0.084 19694 4111 1 9 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.212 0.248 19694 4112 1 9 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.962 -0.442 19694 4113 1 9 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.854 0.306 19694 4114 1 9 . 1 1 80 80 PHE N N 80 114.050 114.050 117.048 -2.998 19694 4115 1 9 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.060 -0.150 19694 4116 1 9 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.002 1.058 19694 4117 1 9 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.966 0.444 19694 4118 1 9 . 1 1 80 80 PHE H H 80 7.510 7.510 7.154 0.356 19694 4119 1 9 . 1 1 81 81 ALA N N 81 123.290 123.290 123.828 -0.538 19694 4120 1 9 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.354 -0.044 19694 4121 1 9 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.364 0.086 19694 4122 1 9 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.987 2.933 19694 4123 1 9 . 1 1 81 81 ALA H H 81 9.030 9.030 9.001 0.029 19694 4124 1 9 . 1 1 82 82 ALA N N 82 122.490 122.490 128.685 -6.195 19694 4125 1 9 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.367 0.743 19694 4126 1 9 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.904 -0.804 19694 4127 1 9 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.837 2.292 19694 4128 1 9 . 1 1 82 82 ALA H H 82 8.240 8.240 8.587 -0.347 19694 4129 1 9 . 1 1 83 83 LYS N N 83 123.580 123.580 126.074 -2.494 19694 4130 1 9 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.487 0.003 19694 4131 1 9 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.396 0.404 19694 4132 1 9 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.095 0.625 19694 4133 1 9 . 1 1 83 83 LYS H H 83 8.400 8.400 8.265 0.135 19694 4134 1 9 . 1 1 84 84 GLU N N 84 125.470 125.470 120.631 4.839 19694 4135 1 9 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.113 -0.293 19694 4136 1 9 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.017 -0.397 19694 4137 1 9 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.724 -2.514 19694 4138 1 9 . 1 1 84 84 GLU H H 84 9.320 9.320 8.775 0.545 19694 4139 1 9 . 1 1 85 85 ASP N N 85 118.550 118.550 114.230 4.320 19694 4140 1 9 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.779 -0.179 19694 4141 1 9 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.895 1.505 19694 4142 1 9 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.822 -1.422 19694 4143 1 9 . 1 1 85 85 ASP H H 85 8.730 8.730 8.260 0.470 19694 4144 1 9 . 1 1 86 86 GLN N N 86 119.050 119.050 116.705 2.345 19694 4145 1 9 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.644 -0.104 19694 4146 1 9 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.910 1.190 19694 4147 1 9 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.980 -0.870 19694 4148 1 9 . 1 1 86 86 GLN H H 86 8.170 8.170 7.573 0.597 19694 4149 1 9 . 1 1 87 87 LEU N N 87 123.110 123.110 121.280 1.830 19694 4150 1 9 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.157 -0.537 19694 4151 1 9 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.964 0.556 19694 4152 1 9 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.457 -1.757 19694 4153 1 9 . 1 1 87 87 LEU H H 87 8.490 8.490 8.470 0.020 19694 4154 1 9 . 1 1 88 88 LEU N N 88 123.690 123.690 120.151 3.539 19694 4155 1 9 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.968 0.912 19694 4156 1 9 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.781 0.560 19694 4157 1 9 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.808 -0.618 19694 4158 1 9 . 1 1 88 88 LEU H H 88 8.930 8.930 8.402 0.528 19694 4159 1 9 . 1 1 89 89 CYS N N 89 122.270 122.270 119.152 3.118 19694 4160 1 9 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.823 -0.043 19694 4161 1 9 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.459 -1.819 19694 4162 1 9 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.711 3.229 19694 4163 1 9 . 1 1 89 89 CYS H H 89 9.430 9.430 9.089 0.341 19694 4164 1 9 . 1 1 90 90 THR N N 90 110.620 110.620 117.547 -6.927 19694 4165 1 9 . 1 1 90 90 THR HA H 90 3.900 3.900 3.933 -0.033 19694 4166 1 9 . 1 1 90 90 THR CA C 90 65.460 65.460 65.818 -0.358 19694 4167 1 9 . 1 1 90 90 THR CB C 90 68.670 68.670 68.816 -0.146 19694 4168 1 9 . 1 1 90 90 THR H H 90 8.410 8.410 8.881 -0.471 19694 4169 1 9 . 1 1 91 91 ASP N N 91 123.470 123.470 120.997 2.473 19694 4170 1 9 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.583 -0.093 19694 4171 1 9 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.132 0.678 19694 4172 1 9 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.408 0.752 19694 4173 1 9 . 1 1 91 91 ASP H H 91 8.150 8.150 8.356 -0.206 19694 4174 1 9 . 1 1 92 92 CYS N N 92 123.800 123.800 119.579 4.221 19694 4175 1 9 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.235 -0.265 19694 4176 1 9 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.429 2.671 19694 4177 1 9 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.638 4.452 19694 4178 1 9 . 1 1 92 92 CYS H H 92 8.580 8.580 7.978 0.602 19694 4179 1 9 . 1 1 93 93 TYR N N 93 120.730 120.730 120.884 -0.154 19694 4180 1 9 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.079 0.061 19694 4181 1 9 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.236 -0.856 19694 4182 1 9 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.297 1.003 19694 4183 1 9 . 1 1 93 93 TYR H H 93 8.540 8.540 9.115 -0.575 19694 4184 1 9 . 1 1 94 94 SER N N 94 115.010 115.010 112.769 2.241 19694 4185 1 9 . 1 1 94 94 SER HA H 94 4.220 4.220 4.237 -0.017 19694 4186 1 9 . 1 1 94 94 SER CA C 94 59.300 59.300 61.140 -1.840 19694 4187 1 9 . 1 1 94 94 SER CB C 94 63.660 63.660 62.661 0.999 19694 4188 1 9 . 1 1 94 94 SER H H 94 7.750 7.750 8.033 -0.283 19694 4189 1 9 . 1 1 95 95 ASN N N 95 119.820 119.820 120.321 -0.501 19694 4190 1 9 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.617 -0.107 19694 4191 1 9 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.538 -1.658 19694 4192 1 9 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.580 0.720 19694 4193 1 9 . 1 1 95 95 ASN H H 95 7.780 7.780 7.988 -0.208 19694 4194 1 9 . 1 1 96 96 GLU N N 96 119.820 119.820 117.098 2.722 19694 4195 1 9 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.254 -0.158 19694 4196 1 9 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.855 0.055 19694 4197 1 9 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.676 0.544 19694 4198 1 9 . 1 1 96 96 GLU H H 96 7.950 7.950 7.752 0.198 19694 4199 1 9 . 1 1 97 97 TYR N N 97 120.370 120.370 121.592 -1.222 19694 4200 1 9 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.950 0.670 19694 4201 1 9 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.250 -2.550 19694 4202 1 9 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.344 0.366 19694 4203 1 9 . 1 1 97 97 TYR H H 97 8.070 8.070 8.501 -0.431 19694 4204 1 10 . 1 1 2 2 THR N N 2 113.570 113.570 115.565 -1.995 19694 4205 1 10 . 1 1 2 2 THR HA H 2 4.240 4.240 4.161 0.079 19694 4206 1 10 . 1 1 2 2 THR CA C 2 62.130 62.130 63.293 -1.163 19694 4207 1 10 . 1 1 2 2 THR CB C 2 69.250 69.250 68.870 0.380 19694 4208 1 10 . 1 1 2 2 THR H H 2 8.090 8.090 8.121 -0.031 19694 4209 1 10 . 1 1 3 3 GLU N N 3 122.880 122.880 120.437 2.443 19694 4210 1 10 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.319 -0.039 19694 4211 1 10 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.631 1.229 19694 4212 1 10 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.361 0.209 19694 4213 1 10 . 1 1 3 3 GLU H H 3 8.280 8.280 8.070 0.210 19694 4214 1 10 . 1 1 4 4 ARG N N 4 121.330 121.330 119.544 1.786 19694 4215 1 10 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.577 -0.277 19694 4216 1 10 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.335 0.535 19694 4217 1 10 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.976 0.664 19694 4218 1 10 . 1 1 4 4 ARG H H 4 8.280 8.280 8.483 -0.203 19694 4219 1 10 . 1 1 5 5 PHE N N 5 125.490 125.490 125.286 0.204 19694 4220 1 10 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.559 0.051 19694 4221 1 10 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.032 0.348 19694 4222 1 10 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.581 -0.021 19694 4223 1 10 . 1 1 5 5 PHE H H 5 8.290 8.290 8.698 -0.408 19694 4224 1 10 . 1 1 6 6 ASP N N 6 123.260 123.260 119.595 3.665 19694 4225 1 10 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.761 0.284 19694 4226 1 10 . 1 1 6 6 ASP CA C 6 52.180 52.180 51.808 0.372 19694 4227 1 10 . 1 1 6 6 ASP CB C 6 44.210 44.210 43.050 1.159 19694 4228 1 10 . 1 1 6 6 ASP H H 6 7.940 7.940 7.548 0.392 19694 4229 1 10 . 1 1 7 7 CYS N N 7 121.440 121.440 121.788 -0.348 19694 4230 1 10 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.463 -0.503 19694 4231 1 10 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.607 0.213 19694 4232 1 10 . 1 1 7 7 CYS CB C 7 30.950 30.950 25.952 4.998 19694 4233 1 10 . 1 1 7 7 CYS H H 7 8.700 8.700 8.543 0.157 19694 4234 1 10 . 1 1 8 8 HIS N N 8 129.390 129.390 128.927 0.463 19694 4235 1 10 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.290 -0.090 19694 4236 1 10 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.527 -1.287 19694 4237 1 10 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.006 -0.527 19694 4238 1 10 . 1 1 8 8 HIS H H 8 9.160 9.160 9.527 -0.367 19694 4239 1 10 . 1 1 9 9 HIS N N 9 118.740 118.740 116.700 2.040 19694 4240 1 10 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.477 0.403 19694 4241 1 10 . 1 1 9 9 HIS CA C 9 58.680 58.680 56.967 1.713 19694 4242 1 10 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.250 0.790 19694 4243 1 10 . 1 1 9 9 HIS H H 9 9.270 9.270 7.983 1.287 19694 4244 1 10 . 1 1 10 10 CYS N N 10 118.600 118.600 117.608 0.992 19694 4245 1 10 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.415 0.185 19694 4246 1 10 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.236 0.364 19694 4247 1 10 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.958 4.372 19694 4248 1 10 . 1 1 10 10 CYS H H 10 8.550 8.550 7.870 0.680 19694 4249 1 10 . 1 1 11 11 ASN N N 11 116.220 116.220 117.102 -0.882 19694 4250 1 10 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.370 0.040 19694 4251 1 10 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.475 1.165 19694 4252 1 10 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.480 1.720 19694 4253 1 10 . 1 1 11 11 ASN H H 11 7.690 7.690 8.761 -1.071 19694 4254 1 10 . 1 1 12 12 GLU N N 12 120.330 120.330 117.630 2.700 19694 4255 1 10 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.521 -0.301 19694 4256 1 10 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.750 1.950 19694 4257 1 10 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.262 -0.351 19694 4258 1 10 . 1 1 12 12 GLU H H 12 8.210 8.210 7.679 0.531 19694 4259 1 10 . 1 1 13 13 SER N N 13 116.190 116.190 119.555 -3.365 19694 4260 1 10 . 1 1 13 13 SER HA H 13 4.060 4.060 4.384 -0.324 19694 4261 1 10 . 1 1 13 13 SER CA C 13 59.350 59.350 58.991 0.359 19694 4262 1 10 . 1 1 13 13 SER CB C 13 63.820 63.820 63.630 0.190 19694 4263 1 10 . 1 1 13 13 SER H H 13 8.520 8.520 8.650 -0.130 19694 4264 1 10 . 1 1 14 14 LEU N N 14 126.060 126.060 124.878 1.182 19694 4265 1 10 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.361 -0.051 19694 4266 1 10 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.812 -1.712 19694 4267 1 10 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.535 0.665 19694 4268 1 10 . 1 1 14 14 LEU H H 14 8.910 8.910 7.763 1.147 19694 4269 1 10 . 1 1 15 15 PHE N N 15 120.660 120.660 120.948 -0.288 19694 4270 1 10 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.611 -0.131 19694 4271 1 10 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.035 4.365 19694 4272 1 10 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.938 0.193 19694 4273 1 10 . 1 1 15 15 PHE H H 15 7.820 7.820 8.492 -0.672 19694 4274 1 10 . 1 1 16 16 GLY N N 16 114.730 114.730 110.954 3.776 19694 4275 1 10 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.807 0.093 19694 4276 1 10 . 1 1 16 16 GLY H H 16 8.860 8.860 8.807 0.053 19694 4277 1 10 . 1 1 17 17 LYS N N 17 119.580 119.580 120.206 -0.626 19694 4278 1 10 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.518 -0.038 19694 4279 1 10 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.443 0.017 19694 4280 1 10 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.319 1.481 19694 4281 1 10 . 1 1 17 17 LYS H H 17 8.030 8.030 7.226 0.804 19694 4282 1 10 . 1 1 18 18 LYS N N 18 120.330 120.330 122.257 -1.927 19694 4283 1 10 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.316 -0.036 19694 4284 1 10 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.472 -0.672 19694 4285 1 10 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.788 0.222 19694 4286 1 10 . 1 1 18 18 LYS H H 18 8.190 8.190 8.464 -0.274 19694 4287 1 10 . 1 1 19 19 TYR N N 19 117.500 117.500 115.247 2.253 19694 4288 1 10 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.840 0.401 19694 4289 1 10 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.288 -0.948 19694 4290 1 10 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.334 2.516 19694 4291 1 10 . 1 1 19 19 TYR H H 19 7.610 7.610 7.883 -0.273 19694 4292 1 10 . 1 1 20 20 ILE N N 20 121.430 121.430 121.761 -0.331 19694 4293 1 10 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.253 -0.116 19694 4294 1 10 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.114 -0.104 19694 4295 1 10 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.681 0.888 19694 4296 1 10 . 1 1 20 20 ILE H H 20 9.350 9.350 8.215 1.135 19694 4297 1 10 . 1 1 21 21 LEU N N 21 126.720 126.720 126.015 0.705 19694 4298 1 10 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.768 0.322 19694 4299 1 10 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.931 0.089 19694 4300 1 10 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.833 2.887 19694 4301 1 10 . 1 1 21 21 LEU H H 21 8.530 8.530 8.505 0.025 19694 4302 1 10 . 1 1 22 22 ARG N N 22 123.930 123.930 125.437 -1.507 19694 4303 1 10 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.517 -0.077 19694 4304 1 10 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.054 1.546 19694 4305 1 10 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.422 -0.142 19694 4306 1 10 . 1 1 22 22 ARG H H 22 9.080 9.080 8.916 0.164 19694 4307 1 10 . 1 1 23 23 GLU N N 23 128.500 128.500 124.883 3.617 19694 4308 1 10 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.951 -0.111 19694 4309 1 10 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.712 0.318 19694 4310 1 10 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.848 -0.648 19694 4311 1 10 . 1 1 23 23 GLU H H 23 9.610 9.610 9.014 0.596 19694 4312 1 10 . 1 1 24 24 GLU N N 24 110.300 110.300 113.316 -3.016 19694 4313 1 10 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.935 -0.155 19694 4314 1 10 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.240 1.080 19694 4315 1 10 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.188 0.032 19694 4316 1 10 . 1 1 24 24 GLU H H 24 8.660 8.660 8.666 -0.006 19694 4317 1 10 . 1 1 25 25 SER N N 25 117.700 117.700 113.113 4.587 19694 4318 1 10 . 1 1 25 25 SER HA H 25 4.890 4.890 4.774 0.116 19694 4319 1 10 . 1 1 25 25 SER CA C 25 56.540 56.540 55.461 1.079 19694 4320 1 10 . 1 1 25 25 SER CB C 25 64.720 64.720 65.092 -0.372 19694 4321 1 10 . 1 1 25 25 SER H H 25 7.900 7.900 7.736 0.164 19694 4322 1 10 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.856 0.139 19694 4323 1 10 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.026 -1.276 19694 4324 1 10 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.686 0.974 19694 4325 1 10 . 1 1 27 27 TYR N N 27 118.100 118.100 123.677 -5.577 19694 4326 1 10 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.980 0.930 19694 4327 1 10 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.889 1.941 19694 4328 1 10 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.521 0.289 19694 4329 1 10 . 1 1 27 27 TYR H H 27 9.040 9.040 8.751 0.289 19694 4330 1 10 . 1 1 28 28 CYS N N 28 122.230 122.230 118.907 3.323 19694 4331 1 10 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.677 0.173 19694 4332 1 10 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.405 -0.295 19694 4333 1 10 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.116 1.413 19694 4334 1 10 . 1 1 28 28 CYS H H 28 9.850 9.850 8.303 1.547 19694 4335 1 10 . 1 1 29 29 VAL N N 29 118.200 118.200 123.287 -5.087 19694 4336 1 10 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.671 -0.021 19694 4337 1 10 . 1 1 29 29 VAL CA C 29 67.400 67.400 67.399 0.001 19694 4338 1 10 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.282 0.578 19694 4339 1 10 . 1 1 29 29 VAL H H 29 8.430 8.430 9.026 -0.596 19694 4340 1 10 . 1 1 30 30 VAL N N 30 119.570 119.570 118.556 1.014 19694 4341 1 10 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.482 0.378 19694 4342 1 10 . 1 1 30 30 VAL CA C 30 66.450 66.450 67.229 -0.779 19694 4343 1 10 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.912 0.628 19694 4344 1 10 . 1 1 30 30 VAL H H 30 7.700 7.700 8.108 -0.408 19694 4345 1 10 . 1 1 31 31 CYS N N 31 125.890 125.890 119.319 6.571 19694 4346 1 10 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.883 -0.053 19694 4347 1 10 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.346 1.504 19694 4348 1 10 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.566 3.944 19694 4349 1 10 . 1 1 31 31 CYS H H 31 9.050 9.050 7.592 1.458 19694 4350 1 10 . 1 1 32 32 PHE N N 32 119.000 119.000 119.277 -0.277 19694 4351 1 10 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.688 0.092 19694 4352 1 10 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.787 0.823 19694 4353 1 10 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.030 0.890 19694 4354 1 10 . 1 1 32 32 PHE H H 32 9.080 9.080 7.858 1.222 19694 4355 1 10 . 1 1 33 33 GLU N N 33 117.470 117.470 117.659 -0.189 19694 4356 1 10 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.050 -0.290 19694 4357 1 10 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.461 -0.251 19694 4358 1 10 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.182 0.298 19694 4359 1 10 . 1 1 33 33 GLU H H 33 8.510 8.510 8.079 0.431 19694 4360 1 10 . 1 1 34 34 THR N N 34 114.140 114.140 115.362 -1.222 19694 4361 1 10 . 1 1 34 34 THR HA H 34 3.730 3.730 3.970 -0.240 19694 4362 1 10 . 1 1 34 34 THR CA C 34 65.890 65.890 65.530 0.360 19694 4363 1 10 . 1 1 34 34 THR CB C 34 69.210 69.210 68.606 0.604 19694 4364 1 10 . 1 1 34 34 THR H H 34 7.880 7.880 8.317 -0.437 19694 4365 1 10 . 1 1 35 35 LEU N N 35 117.980 117.980 118.798 -0.818 19694 4366 1 10 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.925 -0.275 19694 4367 1 10 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.239 -0.379 19694 4368 1 10 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.760 0.111 19694 4369 1 10 . 1 1 35 35 LEU H H 35 7.660 7.660 7.774 -0.114 19694 4370 1 10 . 1 1 36 36 PHE N N 36 113.900 113.900 113.997 -0.097 19694 4371 1 10 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.423 0.174 19694 4372 1 10 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.383 0.477 19694 4373 1 10 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.250 2.320 19694 4374 1 10 . 1 1 36 36 PHE H H 36 7.730 7.730 6.665 1.065 19694 4375 1 10 . 1 1 37 37 ALA N N 37 121.920 121.920 122.983 -1.063 19694 4376 1 10 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.067 0.003 19694 4377 1 10 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.247 0.653 19694 4378 1 10 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.822 -0.052 19694 4379 1 10 . 1 1 37 37 ALA H H 37 7.090 7.090 7.808 -0.718 19694 4380 1 10 . 1 1 38 38 ASN N N 38 119.230 119.230 118.837 0.393 19694 4381 1 10 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.649 -0.199 19694 4382 1 10 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.507 0.343 19694 4383 1 10 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.179 -1.229 19694 4384 1 10 . 1 1 38 38 ASN H H 38 8.790 8.790 8.310 0.480 19694 4385 1 10 . 1 1 39 39 THR N N 39 116.330 116.330 115.748 0.582 19694 4386 1 10 . 1 1 39 39 THR HA H 39 3.990 3.990 4.317 -0.327 19694 4387 1 10 . 1 1 39 39 THR CA C 39 62.130 62.130 62.928 -0.798 19694 4388 1 10 . 1 1 39 39 THR CB C 39 69.920 69.920 69.570 0.350 19694 4389 1 10 . 1 1 39 39 THR H H 39 8.540 8.540 8.219 0.321 19694 4390 1 10 . 1 1 40 40 CYS N N 40 126.950 126.950 128.202 -1.252 19694 4391 1 10 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.483 -0.183 19694 4392 1 10 . 1 1 40 40 CYS CA C 40 58.350 58.350 56.936 1.414 19694 4393 1 10 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.630 4.970 19694 4394 1 10 . 1 1 40 40 CYS H H 40 7.940 7.940 8.441 -0.501 19694 4395 1 10 . 1 1 41 41 GLU N N 41 130.560 130.560 127.525 3.035 19694 4396 1 10 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.826 -0.136 19694 4397 1 10 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.116 -0.516 19694 4398 1 10 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.393 1.067 19694 4399 1 10 . 1 1 41 41 GLU H H 41 8.810 8.810 8.641 0.169 19694 4400 1 10 . 1 1 42 42 GLU N N 42 119.680 119.680 118.344 1.336 19694 4401 1 10 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.340 0.230 19694 4402 1 10 . 1 1 42 42 GLU CA C 42 58.000 58.000 57.978 0.022 19694 4403 1 10 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.611 1.069 19694 4404 1 10 . 1 1 42 42 GLU H H 42 8.500 8.500 8.068 0.432 19694 4405 1 10 . 1 1 43 43 CYS N N 43 115.600 115.600 116.757 -1.157 19694 4406 1 10 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.456 0.554 19694 4407 1 10 . 1 1 43 43 CYS CA C 43 58.810 58.810 59.899 -1.089 19694 4408 1 10 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.433 3.147 19694 4409 1 10 . 1 1 43 43 CYS H H 43 8.120 8.120 8.083 0.037 19694 4410 1 10 . 1 1 44 44 GLY N N 44 112.100 112.100 106.978 5.122 19694 4411 1 10 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.250 1.170 19694 4412 1 10 . 1 1 44 44 GLY H H 44 7.900 7.900 8.558 -0.658 19694 4413 1 10 . 1 1 45 45 LYS N N 45 121.210 121.210 121.777 -0.567 19694 4414 1 10 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.676 0.164 19694 4415 1 10 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.722 1.638 19694 4416 1 10 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.938 -0.508 19694 4417 1 10 . 1 1 45 45 LYS H H 45 8.180 8.180 7.835 0.345 19694 4418 1 10 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.511 -0.034 19694 4419 1 10 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.043 -0.343 19694 4420 1 10 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.048 0.442 19694 4421 1 10 . 1 1 47 47 ILE N N 47 125.280 125.280 123.127 2.153 19694 4422 1 10 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.275 -0.445 19694 4423 1 10 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.707 0.333 19694 4424 1 10 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.663 -0.223 19694 4425 1 10 . 1 1 47 47 ILE H H 47 8.540 8.540 8.911 -0.371 19694 4426 1 10 . 1 1 48 48 GLY N N 48 114.120 114.120 113.742 0.378 19694 4427 1 10 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.746 0.494 19694 4428 1 10 . 1 1 48 48 GLY H H 48 8.660 8.660 8.491 0.169 19694 4429 1 10 . 1 1 49 49 CYS N N 49 117.140 117.140 119.892 -2.752 19694 4430 1 10 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.350 -0.070 19694 4431 1 10 . 1 1 49 49 CYS CA C 49 60.880 60.880 58.709 2.171 19694 4432 1 10 . 1 1 49 49 CYS CB C 49 27.650 27.650 28.096 -0.446 19694 4433 1 10 . 1 1 49 49 CYS H H 49 9.210 9.210 9.214 -0.004 19694 4434 1 10 . 1 1 50 50 ASP N N 50 119.300 119.300 119.858 -0.558 19694 4435 1 10 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.548 0.072 19694 4436 1 10 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.698 -0.538 19694 4437 1 10 . 1 1 50 50 ASP CB C 50 40.380 40.380 39.989 0.391 19694 4438 1 10 . 1 1 50 50 ASP H H 50 8.800 8.800 8.314 0.486 19694 4439 1 10 . 1 1 51 51 CYS N N 51 118.150 118.150 117.570 0.580 19694 4440 1 10 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.627 -0.007 19694 4441 1 10 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.405 0.625 19694 4442 1 10 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.900 -1.810 19694 4443 1 10 . 1 1 51 51 CYS H H 51 7.590 7.590 7.429 0.161 19694 4444 1 10 . 1 1 52 52 LYS N N 52 123.800 123.800 122.073 1.727 19694 4445 1 10 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.408 -0.228 19694 4446 1 10 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.182 1.058 19694 4447 1 10 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.858 1.172 19694 4448 1 10 . 1 1 52 52 LYS H H 52 8.600 8.600 8.502 0.098 19694 4449 1 10 . 1 1 53 53 ASP N N 53 124.900 124.900 123.961 0.939 19694 4450 1 10 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.747 -0.517 19694 4451 1 10 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.651 0.479 19694 4452 1 10 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.676 1.554 19694 4453 1 10 . 1 1 53 53 ASP H H 53 8.250 8.250 8.461 -0.211 19694 4454 1 10 . 1 1 54 54 LEU N N 54 130.160 130.160 125.574 4.586 19694 4455 1 10 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.566 -0.126 19694 4456 1 10 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.303 -1.963 19694 4457 1 10 . 1 1 54 54 LEU CB C 54 41.170 41.170 42.863 -1.693 19694 4458 1 10 . 1 1 54 54 LEU H H 54 8.670 8.670 8.928 -0.258 19694 4459 1 10 . 1 1 55 55 SER N N 55 113.820 113.820 119.877 -6.057 19694 4460 1 10 . 1 1 55 55 SER HA H 55 5.580 5.580 5.175 0.405 19694 4461 1 10 . 1 1 55 55 SER CA C 55 55.850 55.850 56.511 -0.661 19694 4462 1 10 . 1 1 55 55 SER CB C 55 67.300 67.300 64.689 2.611 19694 4463 1 10 . 1 1 55 55 SER H H 55 8.160 8.160 8.486 -0.326 19694 4464 1 10 . 1 1 56 56 TYR N N 56 122.610 122.610 126.725 -4.115 19694 4465 1 10 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.724 -0.104 19694 4466 1 10 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.657 0.152 19694 4467 1 10 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.176 -1.176 19694 4468 1 10 . 1 1 56 56 TYR H H 56 8.450 8.450 8.957 -0.507 19694 4469 1 10 . 1 1 57 57 LYS N N 57 126.020 126.020 127.866 -1.846 19694 4470 1 10 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.976 -0.506 19694 4471 1 10 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.434 0.665 19694 4472 1 10 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.895 -2.415 19694 4473 1 10 . 1 1 57 57 LYS H H 57 8.920 8.920 8.597 0.323 19694 4474 1 10 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.300 -0.470 19694 4475 1 10 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.553 -0.653 19694 4476 1 10 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.651 -0.571 19694 4477 1 10 . 1 1 58 58 ASP H H 58 8.400 8.400 8.485 -0.085 19694 4478 1 10 . 1 1 59 59 ARG N N 59 121.190 121.190 116.576 4.614 19694 4479 1 10 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.404 -0.154 19694 4480 1 10 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.170 1.409 19694 4481 1 10 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.764 -0.304 19694 4482 1 10 . 1 1 59 59 ARG H H 59 7.980 7.980 7.884 0.096 19694 4483 1 10 . 1 1 60 60 HIS N N 60 118.420 118.420 117.679 0.741 19694 4484 1 10 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.634 -0.364 19694 4485 1 10 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.220 -0.210 19694 4486 1 10 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.303 -0.923 19694 4487 1 10 . 1 1 60 60 HIS H H 60 8.350 8.350 8.214 0.136 19694 4488 1 10 . 1 1 61 61 TRP N N 61 119.990 119.990 118.269 1.721 19694 4489 1 10 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.781 1.149 19694 4490 1 10 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.118 0.282 19694 4491 1 10 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.193 1.187 19694 4492 1 10 . 1 1 61 61 TRP H H 61 9.310 9.310 9.271 0.039 19694 4493 1 10 . 1 1 62 62 HIS N N 62 117.270 117.270 121.180 -3.910 19694 4494 1 10 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.887 -0.287 19694 4495 1 10 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.142 2.068 19694 4496 1 10 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.311 0.889 19694 4497 1 10 . 1 1 62 62 HIS H H 62 8.430 8.430 9.146 -0.716 19694 4498 1 10 . 1 1 63 63 GLU N N 63 124.640 124.640 128.293 -3.653 19694 4499 1 10 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.925 -0.098 19694 4500 1 10 . 1 1 63 63 GLU CA C 63 61.020 61.020 60.147 0.874 19694 4501 1 10 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.620 0.689 19694 4502 1 10 . 1 1 63 63 GLU H H 63 9.040 9.040 8.279 0.761 19694 4503 1 10 . 1 1 64 64 ALA N N 64 117.050 117.050 117.858 -0.808 19694 4504 1 10 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.377 -0.147 19694 4505 1 10 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.917 1.083 19694 4506 1 10 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.778 0.102 19694 4507 1 10 . 1 1 64 64 ALA H H 64 8.680 8.680 8.282 0.398 19694 4508 1 10 . 1 1 65 65 CYS N N 65 115.380 115.380 117.096 -1.716 19694 4509 1 10 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.130 0.165 19694 4510 1 10 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.310 -0.461 19694 4511 1 10 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.949 5.891 19694 4512 1 10 . 1 1 65 65 CYS H H 65 7.490 7.490 8.128 -0.638 19694 4513 1 10 . 1 1 66 66 PHE N N 66 122.020 122.020 123.049 -1.029 19694 4514 1 10 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.809 0.081 19694 4515 1 10 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.432 -1.422 19694 4516 1 10 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.173 -0.103 19694 4517 1 10 . 1 1 66 66 PHE H H 66 7.110 7.110 7.566 -0.456 19694 4518 1 10 . 1 1 67 67 HIS N N 67 121.280 121.280 121.843 -0.563 19694 4519 1 10 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.287 -0.567 19694 4520 1 10 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.882 -0.152 19694 4521 1 10 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.863 1.367 19694 4522 1 10 . 1 1 67 67 HIS H H 67 7.380 7.380 7.569 -0.189 19694 4523 1 10 . 1 1 68 68 CYS N N 68 121.590 121.590 118.858 2.732 19694 4524 1 10 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.984 -1.024 19694 4525 1 10 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.877 1.913 19694 4526 1 10 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.628 1.572 19694 4527 1 10 . 1 1 68 68 CYS H H 68 8.530 8.530 8.277 0.253 19694 4528 1 10 . 1 1 69 69 SER N N 69 126.530 126.530 120.766 5.764 19694 4529 1 10 . 1 1 69 69 SER HA H 69 4.310 4.310 4.121 0.189 19694 4530 1 10 . 1 1 69 69 SER CA C 69 61.760 61.760 60.958 0.802 19694 4531 1 10 . 1 1 69 69 SER CB C 69 64.040 64.040 63.144 0.896 19694 4532 1 10 . 1 1 69 69 SER H H 69 9.460 9.460 8.833 0.627 19694 4533 1 10 . 1 1 70 70 GLN N N 70 122.370 122.370 119.178 3.192 19694 4534 1 10 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.345 0.165 19694 4535 1 10 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.239 0.601 19694 4536 1 10 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.519 0.911 19694 4537 1 10 . 1 1 70 70 GLN H H 70 8.980 8.980 8.078 0.902 19694 4538 1 10 . 1 1 71 71 CYS N N 71 118.860 118.860 116.358 2.502 19694 4539 1 10 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.771 -0.051 19694 4540 1 10 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.228 1.542 19694 4541 1 10 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.840 4.070 19694 4542 1 10 . 1 1 71 71 CYS H H 71 8.220 8.220 7.785 0.435 19694 4543 1 10 . 1 1 72 72 ARG N N 72 114.380 114.380 118.474 -4.094 19694 4544 1 10 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.782 0.183 19694 4545 1 10 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.301 0.729 19694 4546 1 10 . 1 1 72 72 ARG CB C 72 27.720 27.720 28.659 -0.939 19694 4547 1 10 . 1 1 72 72 ARG H H 72 7.380 7.380 7.794 -0.414 19694 4548 1 10 . 1 1 73 73 ASN N N 73 121.480 121.480 115.885 5.595 19694 4549 1 10 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.612 0.018 19694 4550 1 10 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.053 0.057 19694 4551 1 10 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.640 -0.770 19694 4552 1 10 . 1 1 73 73 ASN H H 73 8.722 8.722 8.097 0.625 19694 4553 1 10 . 1 1 74 74 SER N N 74 114.710 114.710 118.085 -3.375 19694 4554 1 10 . 1 1 74 74 SER HA H 74 4.060 4.060 4.832 -0.772 19694 4555 1 10 . 1 1 74 74 SER CA C 74 59.357 59.357 58.236 1.121 19694 4556 1 10 . 1 1 74 74 SER CB C 74 63.300 63.300 63.267 0.033 19694 4557 1 10 . 1 1 74 74 SER H H 74 8.690 8.690 8.515 0.175 19694 4558 1 10 . 1 1 75 75 LEU N N 75 125.757 125.757 127.902 -2.145 19694 4559 1 10 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.293 -0.013 19694 4560 1 10 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.720 -1.210 19694 4561 1 10 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.754 0.446 19694 4562 1 10 . 1 1 75 75 LEU H H 75 7.970 7.970 8.127 -0.157 19694 4563 1 10 . 1 1 76 76 VAL N N 76 120.860 120.860 124.240 -3.380 19694 4564 1 10 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.915 -0.345 19694 4565 1 10 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.911 4.509 19694 4566 1 10 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.851 -3.311 19694 4567 1 10 . 1 1 76 76 VAL H H 76 7.830 7.830 8.015 -0.185 19694 4568 1 10 . 1 1 77 77 ASP N N 77 122.360 122.360 121.780 0.580 19694 4569 1 10 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.428 -0.198 19694 4570 1 10 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.761 0.439 19694 4571 1 10 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.332 -0.952 19694 4572 1 10 . 1 1 77 77 ASP H H 77 8.910 8.910 8.425 0.485 19694 4573 1 10 . 1 1 78 78 LYS N N 78 118.100 118.100 118.832 -0.732 19694 4574 1 10 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.635 0.235 19694 4575 1 10 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.440 3.520 19694 4576 1 10 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.752 0.928 19694 4577 1 10 . 1 1 78 78 LYS H H 78 7.660 7.660 7.592 0.068 19694 4578 1 10 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.233 0.227 19694 4579 1 10 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.897 -0.377 19694 4580 1 10 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.830 0.330 19694 4581 1 10 . 1 1 80 80 PHE N N 80 114.050 114.050 116.960 -2.910 19694 4582 1 10 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.070 -0.160 19694 4583 1 10 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.018 1.042 19694 4584 1 10 . 1 1 80 80 PHE CB C 80 42.410 42.410 42.012 0.398 19694 4585 1 10 . 1 1 80 80 PHE H H 80 7.510 7.510 7.141 0.369 19694 4586 1 10 . 1 1 81 81 ALA N N 81 123.290 123.290 123.554 -0.264 19694 4587 1 10 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.352 -0.042 19694 4588 1 10 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.383 0.067 19694 4589 1 10 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.917 3.003 19694 4590 1 10 . 1 1 81 81 ALA H H 81 9.030 9.030 9.011 0.019 19694 4591 1 10 . 1 1 82 82 ALA N N 82 122.490 122.490 129.122 -6.632 19694 4592 1 10 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.385 0.725 19694 4593 1 10 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.743 -0.643 19694 4594 1 10 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.753 2.377 19694 4595 1 10 . 1 1 82 82 ALA H H 82 8.240 8.240 8.624 -0.384 19694 4596 1 10 . 1 1 83 83 LYS N N 83 123.580 123.580 125.949 -2.369 19694 4597 1 10 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.524 -0.034 19694 4598 1 10 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.291 0.509 19694 4599 1 10 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.138 0.582 19694 4600 1 10 . 1 1 83 83 LYS H H 83 8.400 8.400 8.252 0.148 19694 4601 1 10 . 1 1 84 84 GLU N N 84 125.470 125.470 120.391 5.079 19694 4602 1 10 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.125 -0.305 19694 4603 1 10 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.963 -0.343 19694 4604 1 10 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.727 -2.518 19694 4605 1 10 . 1 1 84 84 GLU H H 84 9.320 9.320 8.804 0.516 19694 4606 1 10 . 1 1 85 85 ASP N N 85 118.550 118.550 114.519 4.031 19694 4607 1 10 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.797 -0.197 19694 4608 1 10 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.852 1.548 19694 4609 1 10 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.120 -1.720 19694 4610 1 10 . 1 1 85 85 ASP H H 85 8.730 8.730 8.387 0.343 19694 4611 1 10 . 1 1 86 86 GLN N N 86 119.050 119.050 117.338 1.712 19694 4612 1 10 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.705 -0.165 19694 4613 1 10 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.049 1.051 19694 4614 1 10 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.065 -0.955 19694 4615 1 10 . 1 1 86 86 GLN H H 86 8.170 8.170 7.592 0.578 19694 4616 1 10 . 1 1 87 87 LEU N N 87 123.110 123.110 121.342 1.768 19694 4617 1 10 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.224 -0.604 19694 4618 1 10 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.016 0.504 19694 4619 1 10 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.590 -1.890 19694 4620 1 10 . 1 1 87 87 LEU H H 87 8.490 8.490 8.534 -0.044 19694 4621 1 10 . 1 1 88 88 LEU N N 88 123.690 123.690 120.222 3.468 19694 4622 1 10 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.959 0.921 19694 4623 1 10 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.812 0.527 19694 4624 1 10 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.800 -0.610 19694 4625 1 10 . 1 1 88 88 LEU H H 88 8.930 8.930 8.340 0.590 19694 4626 1 10 . 1 1 89 89 CYS N N 89 122.270 122.270 119.113 3.157 19694 4627 1 10 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.862 -0.082 19694 4628 1 10 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.156 -1.516 19694 4629 1 10 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.960 2.980 19694 4630 1 10 . 1 1 89 89 CYS H H 89 9.430 9.430 9.102 0.328 19694 4631 1 10 . 1 1 90 90 THR N N 90 110.620 110.620 115.346 -4.726 19694 4632 1 10 . 1 1 90 90 THR HA H 90 3.900 3.900 3.933 -0.033 19694 4633 1 10 . 1 1 90 90 THR CA C 90 65.460 65.460 65.623 -0.163 19694 4634 1 10 . 1 1 90 90 THR CB C 90 68.670 68.670 68.893 -0.223 19694 4635 1 10 . 1 1 90 90 THR H H 90 8.410 8.410 8.785 -0.375 19694 4636 1 10 . 1 1 91 91 ASP N N 91 123.470 123.470 120.941 2.529 19694 4637 1 10 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.642 -0.152 19694 4638 1 10 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.935 -0.126 19694 4639 1 10 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.669 0.491 19694 4640 1 10 . 1 1 91 91 ASP H H 91 8.150 8.150 8.088 0.062 19694 4641 1 10 . 1 1 92 92 CYS N N 92 123.800 123.800 119.753 4.047 19694 4642 1 10 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.390 -0.420 19694 4643 1 10 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.161 2.939 19694 4644 1 10 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.864 4.226 19694 4645 1 10 . 1 1 92 92 CYS H H 92 8.580 8.580 7.972 0.608 19694 4646 1 10 . 1 1 93 93 TYR N N 93 120.730 120.730 121.543 -0.813 19694 4647 1 10 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.167 -0.027 19694 4648 1 10 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.211 -0.831 19694 4649 1 10 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.235 1.065 19694 4650 1 10 . 1 1 93 93 TYR H H 93 8.540 8.540 9.162 -0.622 19694 4651 1 10 . 1 1 94 94 SER N N 94 115.010 115.010 114.101 0.909 19694 4652 1 10 . 1 1 94 94 SER HA H 94 4.220 4.220 4.124 0.096 19694 4653 1 10 . 1 1 94 94 SER CA C 94 59.300 59.300 61.471 -2.171 19694 4654 1 10 . 1 1 94 94 SER CB C 94 63.660 63.660 62.995 0.665 19694 4655 1 10 . 1 1 94 94 SER H H 94 7.750 7.750 7.980 -0.230 19694 4656 1 10 . 1 1 95 95 ASN N N 95 119.820 119.820 118.701 1.119 19694 4657 1 10 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.519 -0.009 19694 4658 1 10 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.586 -1.706 19694 4659 1 10 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.817 0.483 19694 4660 1 10 . 1 1 95 95 ASN H H 95 7.780 7.780 7.721 0.059 19694 4661 1 10 . 1 1 96 96 GLU N N 96 119.820 119.820 117.590 2.230 19694 4662 1 10 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.278 -0.182 19694 4663 1 10 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.243 -0.333 19694 4664 1 10 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.309 0.911 19694 4665 1 10 . 1 1 96 96 GLU H H 96 7.950 7.950 7.800 0.150 19694 4666 1 10 . 1 1 97 97 TYR N N 97 120.370 120.370 121.372 -1.002 19694 4667 1 10 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.952 0.668 19694 4668 1 10 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.999 -2.299 19694 4669 1 10 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.172 0.538 19694 4670 1 10 . 1 1 97 97 TYR H H 97 8.070 8.070 8.532 -0.462 19694 4671 1 11 . 1 1 2 2 THR N N 2 113.570 113.570 117.551 -3.981 19694 4672 1 11 . 1 1 2 2 THR HA H 2 4.240 4.240 4.396 -0.156 19694 4673 1 11 . 1 1 2 2 THR CA C 2 62.130 62.130 63.150 -1.020 19694 4674 1 11 . 1 1 2 2 THR CB C 2 69.250 69.250 69.162 0.088 19694 4675 1 11 . 1 1 2 2 THR H H 2 8.090 8.090 8.233 -0.143 19694 4676 1 11 . 1 1 3 3 GLU N N 3 122.880 122.880 119.837 3.043 19694 4677 1 11 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.564 -0.284 19694 4678 1 11 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.164 1.696 19694 4679 1 11 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.757 -0.187 19694 4680 1 11 . 1 1 3 3 GLU H H 3 8.280 8.280 7.908 0.372 19694 4681 1 11 . 1 1 4 4 ARG N N 4 121.330 121.330 119.996 1.334 19694 4682 1 11 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.645 -0.345 19694 4683 1 11 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.294 0.576 19694 4684 1 11 . 1 1 4 4 ARG CB C 4 31.640 31.640 31.042 0.598 19694 4685 1 11 . 1 1 4 4 ARG H H 4 8.280 8.280 8.557 -0.277 19694 4686 1 11 . 1 1 5 5 PHE N N 5 125.490 125.490 124.604 0.886 19694 4687 1 11 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.549 0.061 19694 4688 1 11 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.460 -0.080 19694 4689 1 11 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.603 -0.043 19694 4690 1 11 . 1 1 5 5 PHE H H 5 8.290 8.290 8.724 -0.434 19694 4691 1 11 . 1 1 6 6 ASP N N 6 123.260 123.260 121.700 1.560 19694 4692 1 11 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.795 0.251 19694 4693 1 11 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.093 -0.913 19694 4694 1 11 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.802 -0.592 19694 4695 1 11 . 1 1 6 6 ASP H H 6 7.940 7.940 7.630 0.310 19694 4696 1 11 . 1 1 7 7 CYS N N 7 121.440 121.440 122.924 -1.484 19694 4697 1 11 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.432 -0.472 19694 4698 1 11 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.550 0.270 19694 4699 1 11 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.158 4.792 19694 4700 1 11 . 1 1 7 7 CYS H H 7 8.700 8.700 8.593 0.107 19694 4701 1 11 . 1 1 8 8 HIS N N 8 129.390 129.390 129.975 -0.585 19694 4702 1 11 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.280 -0.080 19694 4703 1 11 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.401 -1.161 19694 4704 1 11 . 1 1 8 8 HIS CB C 8 29.480 29.480 29.980 -0.500 19694 4705 1 11 . 1 1 8 8 HIS H H 8 9.160 9.160 9.604 -0.444 19694 4706 1 11 . 1 1 9 9 HIS N N 9 118.740 118.740 116.812 1.928 19694 4707 1 11 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.397 0.483 19694 4708 1 11 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.041 1.639 19694 4709 1 11 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.266 0.774 19694 4710 1 11 . 1 1 9 9 HIS H H 9 9.270 9.270 8.047 1.223 19694 4711 1 11 . 1 1 10 10 CYS N N 10 118.600 118.600 116.996 1.604 19694 4712 1 11 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.438 0.162 19694 4713 1 11 . 1 1 10 10 CYS CA C 10 59.600 59.600 58.974 0.626 19694 4714 1 11 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.894 4.436 19694 4715 1 11 . 1 1 10 10 CYS H H 10 8.550 8.550 7.790 0.760 19694 4716 1 11 . 1 1 11 11 ASN N N 11 116.220 116.220 118.222 -2.002 19694 4717 1 11 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.435 -0.025 19694 4718 1 11 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.449 1.191 19694 4719 1 11 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.288 0.912 19694 4720 1 11 . 1 1 11 11 ASN H H 11 7.690 7.690 8.673 -0.983 19694 4721 1 11 . 1 1 12 12 GLU N N 12 120.330 120.330 117.268 3.062 19694 4722 1 11 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.525 -0.305 19694 4723 1 11 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.263 1.437 19694 4724 1 11 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.665 0.246 19694 4725 1 11 . 1 1 12 12 GLU H H 12 8.210 8.210 7.798 0.412 19694 4726 1 11 . 1 1 13 13 SER N N 13 116.190 116.190 120.608 -4.418 19694 4727 1 11 . 1 1 13 13 SER HA H 13 4.060 4.060 4.512 -0.452 19694 4728 1 11 . 1 1 13 13 SER CA C 13 59.350 59.350 59.530 -0.180 19694 4729 1 11 . 1 1 13 13 SER CB C 13 63.820 63.820 63.569 0.251 19694 4730 1 11 . 1 1 13 13 SER H H 13 8.520 8.520 8.630 -0.110 19694 4731 1 11 . 1 1 14 14 LEU N N 14 126.060 126.060 124.720 1.340 19694 4732 1 11 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.325 -0.015 19694 4733 1 11 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.590 -1.490 19694 4734 1 11 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.773 0.427 19694 4735 1 11 . 1 1 14 14 LEU H H 14 8.910 8.910 7.770 1.140 19694 4736 1 11 . 1 1 15 15 PHE N N 15 120.660 120.660 121.001 -0.341 19694 4737 1 11 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.610 -0.130 19694 4738 1 11 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.422 3.978 19694 4739 1 11 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.897 0.233 19694 4740 1 11 . 1 1 15 15 PHE H H 15 7.820 7.820 8.509 -0.689 19694 4741 1 11 . 1 1 16 16 GLY N N 16 114.730 114.730 110.949 3.781 19694 4742 1 11 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.811 0.089 19694 4743 1 11 . 1 1 16 16 GLY H H 16 8.860 8.860 8.818 0.042 19694 4744 1 11 . 1 1 17 17 LYS N N 17 119.580 119.580 119.786 -0.206 19694 4745 1 11 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.463 0.017 19694 4746 1 11 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.529 -0.069 19694 4747 1 11 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.961 1.839 19694 4748 1 11 . 1 1 17 17 LYS H H 17 8.030 8.030 7.241 0.789 19694 4749 1 11 . 1 1 18 18 LYS N N 18 120.330 120.330 121.531 -1.201 19694 4750 1 11 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.349 -0.069 19694 4751 1 11 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.353 -0.554 19694 4752 1 11 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.014 -0.004 19694 4753 1 11 . 1 1 18 18 LYS H H 18 8.190 8.190 8.569 -0.379 19694 4754 1 11 . 1 1 19 19 TYR N N 19 117.500 117.500 114.082 3.418 19694 4755 1 11 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.796 0.444 19694 4756 1 11 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.367 -1.027 19694 4757 1 11 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.236 2.614 19694 4758 1 11 . 1 1 19 19 TYR H H 19 7.610 7.610 7.910 -0.300 19694 4759 1 11 . 1 1 20 20 ILE N N 20 121.430 121.430 121.786 -0.356 19694 4760 1 11 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.255 -0.118 19694 4761 1 11 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.125 -0.115 19694 4762 1 11 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.663 0.907 19694 4763 1 11 . 1 1 20 20 ILE H H 20 9.350 9.350 8.201 1.149 19694 4764 1 11 . 1 1 21 21 LEU N N 21 126.720 126.720 126.074 0.646 19694 4765 1 11 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.775 0.315 19694 4766 1 11 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.925 0.095 19694 4767 1 11 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.855 2.865 19694 4768 1 11 . 1 1 21 21 LEU H H 21 8.530 8.530 8.512 0.018 19694 4769 1 11 . 1 1 22 22 ARG N N 22 123.930 123.930 125.522 -1.592 19694 4770 1 11 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.532 -0.092 19694 4771 1 11 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.087 1.513 19694 4772 1 11 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.470 -0.190 19694 4773 1 11 . 1 1 22 22 ARG H H 22 9.080 9.080 8.909 0.171 19694 4774 1 11 . 1 1 23 23 GLU N N 23 128.500 128.500 124.846 3.654 19694 4775 1 11 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.977 -0.137 19694 4776 1 11 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.757 0.273 19694 4777 1 11 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.891 -0.691 19694 4778 1 11 . 1 1 23 23 GLU H H 23 9.610 9.610 9.022 0.588 19694 4779 1 11 . 1 1 24 24 GLU N N 24 110.300 110.300 113.573 -3.273 19694 4780 1 11 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.951 -0.171 19694 4781 1 11 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.222 1.098 19694 4782 1 11 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.200 0.020 19694 4783 1 11 . 1 1 24 24 GLU H H 24 8.660 8.660 8.711 -0.051 19694 4784 1 11 . 1 1 25 25 SER N N 25 117.700 117.700 113.226 4.474 19694 4785 1 11 . 1 1 25 25 SER HA H 25 4.890 4.890 4.786 0.104 19694 4786 1 11 . 1 1 25 25 SER CA C 25 56.540 56.540 55.448 1.092 19694 4787 1 11 . 1 1 25 25 SER CB C 25 64.720 64.720 65.195 -0.475 19694 4788 1 11 . 1 1 25 25 SER H H 25 7.900 7.900 7.711 0.189 19694 4789 1 11 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.845 0.150 19694 4790 1 11 . 1 1 26 26 PRO CA C 26 61.750 61.750 62.989 -1.239 19694 4791 1 11 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.793 0.867 19694 4792 1 11 . 1 1 27 27 TYR N N 27 118.100 118.100 123.506 -5.406 19694 4793 1 11 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.978 0.932 19694 4794 1 11 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.819 2.011 19694 4795 1 11 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.516 0.294 19694 4796 1 11 . 1 1 27 27 TYR H H 27 9.040 9.040 8.741 0.299 19694 4797 1 11 . 1 1 28 28 CYS N N 28 122.230 122.230 119.637 2.593 19694 4798 1 11 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.674 0.176 19694 4799 1 11 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.412 -0.302 19694 4800 1 11 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.194 1.336 19694 4801 1 11 . 1 1 28 28 CYS H H 28 9.850 9.850 8.388 1.462 19694 4802 1 11 . 1 1 29 29 VAL N N 29 118.200 118.200 122.396 -4.196 19694 4803 1 11 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.713 -0.063 19694 4804 1 11 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.884 0.516 19694 4805 1 11 . 1 1 29 29 VAL CB C 29 31.860 31.860 30.729 1.131 19694 4806 1 11 . 1 1 29 29 VAL H H 29 8.430 8.430 9.102 -0.672 19694 4807 1 11 . 1 1 30 30 VAL N N 30 119.570 119.570 119.097 0.473 19694 4808 1 11 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.543 0.317 19694 4809 1 11 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.414 0.036 19694 4810 1 11 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.402 1.138 19694 4811 1 11 . 1 1 30 30 VAL H H 30 7.700 7.700 8.307 -0.607 19694 4812 1 11 . 1 1 31 31 CYS N N 31 125.890 125.890 119.614 6.276 19694 4813 1 11 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.894 -0.064 19694 4814 1 11 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.312 1.538 19694 4815 1 11 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.537 3.973 19694 4816 1 11 . 1 1 31 31 CYS H H 31 9.050 9.050 7.632 1.418 19694 4817 1 11 . 1 1 32 32 PHE N N 32 119.000 119.000 119.337 -0.337 19694 4818 1 11 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.676 0.104 19694 4819 1 11 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.750 0.860 19694 4820 1 11 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.036 0.883 19694 4821 1 11 . 1 1 32 32 PHE H H 32 9.080 9.080 7.897 1.183 19694 4822 1 11 . 1 1 33 33 GLU N N 33 117.470 117.470 118.021 -0.551 19694 4823 1 11 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.076 -0.316 19694 4824 1 11 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.410 -0.200 19694 4825 1 11 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.200 0.280 19694 4826 1 11 . 1 1 33 33 GLU H H 33 8.510 8.510 8.224 0.286 19694 4827 1 11 . 1 1 34 34 THR N N 34 114.140 114.140 115.351 -1.211 19694 4828 1 11 . 1 1 34 34 THR HA H 34 3.730 3.730 3.973 -0.243 19694 4829 1 11 . 1 1 34 34 THR CA C 34 65.890 65.890 65.419 0.471 19694 4830 1 11 . 1 1 34 34 THR CB C 34 69.210 69.210 68.609 0.601 19694 4831 1 11 . 1 1 34 34 THR H H 34 7.880 7.880 8.305 -0.425 19694 4832 1 11 . 1 1 35 35 LEU N N 35 117.980 117.980 118.884 -0.904 19694 4833 1 11 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.924 -0.274 19694 4834 1 11 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.213 -0.353 19694 4835 1 11 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.743 0.127 19694 4836 1 11 . 1 1 35 35 LEU H H 35 7.660 7.660 7.767 -0.107 19694 4837 1 11 . 1 1 36 36 PHE N N 36 113.900 113.900 113.041 0.859 19694 4838 1 11 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.511 0.086 19694 4839 1 11 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.160 0.700 19694 4840 1 11 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.434 2.136 19694 4841 1 11 . 1 1 36 36 PHE H H 36 7.730 7.730 6.679 1.051 19694 4842 1 11 . 1 1 37 37 ALA N N 37 121.920 121.920 123.119 -1.199 19694 4843 1 11 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.075 -0.005 19694 4844 1 11 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.253 0.647 19694 4845 1 11 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.557 0.213 19694 4846 1 11 . 1 1 37 37 ALA H H 37 7.090 7.090 7.899 -0.809 19694 4847 1 11 . 1 1 38 38 ASN N N 38 119.230 119.230 120.355 -1.125 19694 4848 1 11 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.663 -0.213 19694 4849 1 11 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.423 0.427 19694 4850 1 11 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.472 -1.522 19694 4851 1 11 . 1 1 38 38 ASN H H 38 8.790 8.790 8.323 0.467 19694 4852 1 11 . 1 1 39 39 THR N N 39 116.330 116.330 115.559 0.771 19694 4853 1 11 . 1 1 39 39 THR HA H 39 3.990 3.990 4.421 -0.431 19694 4854 1 11 . 1 1 39 39 THR CA C 39 62.130 62.130 62.487 -0.357 19694 4855 1 11 . 1 1 39 39 THR CB C 39 69.920 69.920 69.870 0.050 19694 4856 1 11 . 1 1 39 39 THR H H 39 8.540 8.540 8.232 0.308 19694 4857 1 11 . 1 1 40 40 CYS N N 40 126.950 126.950 127.766 -0.816 19694 4858 1 11 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.510 -0.210 19694 4859 1 11 . 1 1 40 40 CYS CA C 40 58.350 58.350 56.966 1.384 19694 4860 1 11 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.676 4.924 19694 4861 1 11 . 1 1 40 40 CYS H H 40 7.940 7.940 8.549 -0.609 19694 4862 1 11 . 1 1 41 41 GLU N N 41 130.560 130.560 127.571 2.989 19694 4863 1 11 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.839 -0.149 19694 4864 1 11 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.127 -0.527 19694 4865 1 11 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.404 1.056 19694 4866 1 11 . 1 1 41 41 GLU H H 41 8.810 8.810 8.692 0.118 19694 4867 1 11 . 1 1 42 42 GLU N N 42 119.680 119.680 118.102 1.578 19694 4868 1 11 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.354 0.216 19694 4869 1 11 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.093 -0.093 19694 4870 1 11 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.623 1.057 19694 4871 1 11 . 1 1 42 42 GLU H H 42 8.500 8.500 8.125 0.375 19694 4872 1 11 . 1 1 43 43 CYS N N 43 115.600 115.600 116.305 -0.705 19694 4873 1 11 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.672 0.338 19694 4874 1 11 . 1 1 43 43 CYS CA C 43 58.810 58.810 59.615 -0.805 19694 4875 1 11 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.174 2.406 19694 4876 1 11 . 1 1 43 43 CYS H H 43 8.120 8.120 8.072 0.048 19694 4877 1 11 . 1 1 44 44 GLY N N 44 112.100 112.100 107.286 4.814 19694 4878 1 11 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.266 1.154 19694 4879 1 11 . 1 1 44 44 GLY H H 44 7.900 7.900 8.568 -0.668 19694 4880 1 11 . 1 1 45 45 LYS N N 45 121.210 121.210 121.597 -0.387 19694 4881 1 11 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.794 0.046 19694 4882 1 11 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.791 1.569 19694 4883 1 11 . 1 1 45 45 LYS CB C 45 32.430 32.430 33.116 -0.686 19694 4884 1 11 . 1 1 45 45 LYS H H 45 8.180 8.180 8.035 0.145 19694 4885 1 11 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.513 -0.036 19694 4886 1 11 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.033 -0.333 19694 4887 1 11 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.050 0.440 19694 4888 1 11 . 1 1 47 47 ILE N N 47 125.280 125.280 123.204 2.076 19694 4889 1 11 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.248 -0.418 19694 4890 1 11 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.833 0.207 19694 4891 1 11 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.528 -0.088 19694 4892 1 11 . 1 1 47 47 ILE H H 47 8.540 8.540 8.885 -0.345 19694 4893 1 11 . 1 1 48 48 GLY N N 48 114.120 114.120 113.719 0.401 19694 4894 1 11 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.593 0.647 19694 4895 1 11 . 1 1 48 48 GLY H H 48 8.660 8.660 8.409 0.251 19694 4896 1 11 . 1 1 49 49 CYS N N 49 117.140 117.140 121.079 -3.939 19694 4897 1 11 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.274 0.006 19694 4898 1 11 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.718 0.162 19694 4899 1 11 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.991 -0.341 19694 4900 1 11 . 1 1 49 49 CYS H H 49 9.210 9.210 9.596 -0.386 19694 4901 1 11 . 1 1 50 50 ASP N N 50 119.300 119.300 119.429 -0.129 19694 4902 1 11 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.579 0.041 19694 4903 1 11 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.995 -0.835 19694 4904 1 11 . 1 1 50 50 ASP CB C 50 40.380 40.380 39.886 0.493 19694 4905 1 11 . 1 1 50 50 ASP H H 50 8.800 8.800 8.289 0.511 19694 4906 1 11 . 1 1 51 51 CYS N N 51 118.150 118.150 117.565 0.585 19694 4907 1 11 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.682 -0.062 19694 4908 1 11 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.129 0.901 19694 4909 1 11 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.845 -1.755 19694 4910 1 11 . 1 1 51 51 CYS H H 51 7.590 7.590 7.491 0.099 19694 4911 1 11 . 1 1 52 52 LYS N N 52 123.800 123.800 122.694 1.106 19694 4912 1 11 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.423 -0.243 19694 4913 1 11 . 1 1 52 52 LYS CA C 52 57.240 57.240 55.376 1.864 19694 4914 1 11 . 1 1 52 52 LYS CB C 52 33.030 33.030 30.767 2.263 19694 4915 1 11 . 1 1 52 52 LYS H H 52 8.600 8.600 8.470 0.130 19694 4916 1 11 . 1 1 53 53 ASP N N 53 124.900 124.900 123.519 1.381 19694 4917 1 11 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.665 -0.435 19694 4918 1 11 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.578 -0.448 19694 4919 1 11 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.978 1.252 19694 4920 1 11 . 1 1 53 53 ASP H H 53 8.250 8.250 8.442 -0.192 19694 4921 1 11 . 1 1 54 54 LEU N N 54 130.160 130.160 126.337 3.823 19694 4922 1 11 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.642 -0.202 19694 4923 1 11 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.045 -1.705 19694 4924 1 11 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.201 -2.031 19694 4925 1 11 . 1 1 54 54 LEU H H 54 8.670 8.670 8.934 -0.264 19694 4926 1 11 . 1 1 55 55 SER N N 55 113.820 113.820 121.282 -7.462 19694 4927 1 11 . 1 1 55 55 SER HA H 55 5.580 5.580 5.017 0.563 19694 4928 1 11 . 1 1 55 55 SER CA C 55 55.850 55.850 56.805 -0.955 19694 4929 1 11 . 1 1 55 55 SER CB C 55 67.300 67.300 64.409 2.891 19694 4930 1 11 . 1 1 55 55 SER H H 55 8.160 8.160 8.596 -0.436 19694 4931 1 11 . 1 1 56 56 TYR N N 56 122.610 122.610 128.107 -5.497 19694 4932 1 11 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.669 -0.049 19694 4933 1 11 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.537 0.273 19694 4934 1 11 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.930 -0.930 19694 4935 1 11 . 1 1 56 56 TYR H H 56 8.450 8.450 8.938 -0.488 19694 4936 1 11 . 1 1 57 57 LYS N N 57 126.020 126.020 129.249 -3.229 19694 4937 1 11 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.932 -0.462 19694 4938 1 11 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.171 0.929 19694 4939 1 11 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.653 -2.173 19694 4940 1 11 . 1 1 57 57 LYS H H 57 8.920 8.920 8.862 0.058 19694 4941 1 11 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.274 -0.444 19694 4942 1 11 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.873 -0.973 19694 4943 1 11 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.696 -0.616 19694 4944 1 11 . 1 1 58 58 ASP H H 58 8.400 8.400 8.569 -0.169 19694 4945 1 11 . 1 1 59 59 ARG N N 59 121.190 121.190 115.869 5.321 19694 4946 1 11 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.539 -0.289 19694 4947 1 11 . 1 1 59 59 ARG CA C 59 55.580 55.580 53.994 1.586 19694 4948 1 11 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.527 -0.067 19694 4949 1 11 . 1 1 59 59 ARG H H 59 7.980 7.980 7.364 0.616 19694 4950 1 11 . 1 1 60 60 HIS N N 60 118.420 118.420 117.732 0.688 19694 4951 1 11 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.681 -0.411 19694 4952 1 11 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.257 -0.247 19694 4953 1 11 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.417 -1.038 19694 4954 1 11 . 1 1 60 60 HIS H H 60 8.350 8.350 8.115 0.235 19694 4955 1 11 . 1 1 61 61 TRP N N 61 119.990 119.990 118.105 1.885 19694 4956 1 11 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.806 1.124 19694 4957 1 11 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.133 0.267 19694 4958 1 11 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.321 1.059 19694 4959 1 11 . 1 1 61 61 TRP H H 61 9.310 9.310 9.301 0.009 19694 4960 1 11 . 1 1 62 62 HIS N N 62 117.270 117.270 120.307 -3.037 19694 4961 1 11 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.756 -0.156 19694 4962 1 11 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.259 1.951 19694 4963 1 11 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.575 0.625 19694 4964 1 11 . 1 1 62 62 HIS H H 62 8.430 8.430 9.183 -0.753 19694 4965 1 11 . 1 1 63 63 GLU N N 63 124.640 124.640 127.944 -3.304 19694 4966 1 11 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.990 -0.163 19694 4967 1 11 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.481 1.539 19694 4968 1 11 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.528 0.782 19694 4969 1 11 . 1 1 63 63 GLU H H 63 9.040 9.040 8.212 0.828 19694 4970 1 11 . 1 1 64 64 ALA N N 64 117.050 117.050 117.861 -0.811 19694 4971 1 11 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.310 -0.080 19694 4972 1 11 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.926 1.074 19694 4973 1 11 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.886 -0.006 19694 4974 1 11 . 1 1 64 64 ALA H H 64 8.680 8.680 8.202 0.478 19694 4975 1 11 . 1 1 65 65 CYS N N 65 115.380 115.380 117.303 -1.923 19694 4976 1 11 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.012 0.283 19694 4977 1 11 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.146 -0.296 19694 4978 1 11 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.258 5.582 19694 4979 1 11 . 1 1 65 65 CYS H H 65 7.490 7.490 8.030 -0.540 19694 4980 1 11 . 1 1 66 66 PHE N N 66 122.020 122.020 123.177 -1.157 19694 4981 1 11 . 1 1 66 66 PHE HA H 66 3.890 3.890 4.010 -0.120 19694 4982 1 11 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.616 -1.606 19694 4983 1 11 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.210 -0.140 19694 4984 1 11 . 1 1 66 66 PHE H H 66 7.110 7.110 7.698 -0.588 19694 4985 1 11 . 1 1 67 67 HIS N N 67 121.280 121.280 122.058 -0.778 19694 4986 1 11 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.308 -0.588 19694 4987 1 11 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.776 -0.046 19694 4988 1 11 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.846 1.384 19694 4989 1 11 . 1 1 67 67 HIS H H 67 7.380 7.380 8.106 -0.726 19694 4990 1 11 . 1 1 68 68 CYS N N 68 121.590 121.590 118.766 2.824 19694 4991 1 11 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.889 -0.929 19694 4992 1 11 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.914 1.876 19694 4993 1 11 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.315 1.885 19694 4994 1 11 . 1 1 68 68 CYS H H 68 8.530 8.530 8.281 0.249 19694 4995 1 11 . 1 1 69 69 SER N N 69 126.530 126.530 120.167 6.363 19694 4996 1 11 . 1 1 69 69 SER HA H 69 4.310 4.310 4.068 0.242 19694 4997 1 11 . 1 1 69 69 SER CA C 69 61.760 61.760 60.794 0.966 19694 4998 1 11 . 1 1 69 69 SER CB C 69 64.040 64.040 63.290 0.750 19694 4999 1 11 . 1 1 69 69 SER H H 69 9.460 9.460 8.779 0.681 19694 5000 1 11 . 1 1 70 70 GLN N N 70 122.370 122.370 117.717 4.653 19694 5001 1 11 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.420 0.090 19694 5002 1 11 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.213 0.627 19694 5003 1 11 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.516 0.914 19694 5004 1 11 . 1 1 70 70 GLN H H 70 8.980 8.980 7.803 1.177 19694 5005 1 11 . 1 1 71 71 CYS N N 71 118.860 118.860 116.585 2.275 19694 5006 1 11 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.753 -0.033 19694 5007 1 11 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.476 1.294 19694 5008 1 11 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.873 4.037 19694 5009 1 11 . 1 1 71 71 CYS H H 71 8.220 8.220 7.755 0.465 19694 5010 1 11 . 1 1 72 72 ARG N N 72 114.380 114.380 115.569 -1.189 19694 5011 1 11 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.903 0.062 19694 5012 1 11 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.230 0.800 19694 5013 1 11 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.089 0.631 19694 5014 1 11 . 1 1 72 72 ARG H H 72 7.380 7.380 7.825 -0.445 19694 5015 1 11 . 1 1 73 73 ASN N N 73 121.480 121.480 117.123 4.357 19694 5016 1 11 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.713 -0.083 19694 5017 1 11 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.170 0.939 19694 5018 1 11 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.817 -0.947 19694 5019 1 11 . 1 1 73 73 ASN H H 73 8.722 8.722 8.009 0.713 19694 5020 1 11 . 1 1 74 74 SER N N 74 114.710 114.710 118.045 -3.335 19694 5021 1 11 . 1 1 74 74 SER HA H 74 4.060 4.060 4.864 -0.804 19694 5022 1 11 . 1 1 74 74 SER CA C 74 59.357 59.357 58.085 1.272 19694 5023 1 11 . 1 1 74 74 SER CB C 74 63.300 63.300 63.178 0.122 19694 5024 1 11 . 1 1 74 74 SER H H 74 8.690 8.690 8.510 0.180 19694 5025 1 11 . 1 1 75 75 LEU N N 75 125.757 125.757 127.905 -2.148 19694 5026 1 11 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.340 -0.060 19694 5027 1 11 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.658 -1.148 19694 5028 1 11 . 1 1 75 75 LEU CB C 75 42.200 42.200 42.210 -0.010 19694 5029 1 11 . 1 1 75 75 LEU H H 75 7.970 7.970 8.080 -0.110 19694 5030 1 11 . 1 1 76 76 VAL N N 76 120.860 120.860 123.898 -3.038 19694 5031 1 11 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.895 -0.325 19694 5032 1 11 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.818 4.602 19694 5033 1 11 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.532 -3.992 19694 5034 1 11 . 1 1 76 76 VAL H H 76 7.830 7.830 8.029 -0.199 19694 5035 1 11 . 1 1 77 77 ASP N N 77 122.360 122.360 123.218 -0.858 19694 5036 1 11 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.483 -0.253 19694 5037 1 11 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.782 0.417 19694 5038 1 11 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.855 -1.475 19694 5039 1 11 . 1 1 77 77 ASP H H 77 8.910 8.910 8.406 0.504 19694 5040 1 11 . 1 1 78 78 LYS N N 78 118.100 118.100 118.410 -0.310 19694 5041 1 11 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.637 0.233 19694 5042 1 11 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.700 3.260 19694 5043 1 11 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.740 0.940 19694 5044 1 11 . 1 1 78 78 LYS H H 78 7.660 7.660 7.625 0.035 19694 5045 1 11 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.238 0.222 19694 5046 1 11 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.954 -0.434 19694 5047 1 11 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.855 0.305 19694 5048 1 11 . 1 1 80 80 PHE N N 80 114.050 114.050 117.189 -3.139 19694 5049 1 11 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.117 -0.207 19694 5050 1 11 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.085 0.975 19694 5051 1 11 . 1 1 80 80 PHE CB C 80 42.410 42.410 42.037 0.373 19694 5052 1 11 . 1 1 80 80 PHE H H 80 7.510 7.510 7.214 0.296 19694 5053 1 11 . 1 1 81 81 ALA N N 81 123.290 123.290 123.933 -0.643 19694 5054 1 11 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.383 -0.073 19694 5055 1 11 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.394 0.056 19694 5056 1 11 . 1 1 81 81 ALA CB C 81 21.920 21.920 19.046 2.874 19694 5057 1 11 . 1 1 81 81 ALA H H 81 9.030 9.030 9.045 -0.015 19694 5058 1 11 . 1 1 82 82 ALA N N 82 122.490 122.490 128.695 -6.205 19694 5059 1 11 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.388 0.722 19694 5060 1 11 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.928 -0.828 19694 5061 1 11 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.834 2.296 19694 5062 1 11 . 1 1 82 82 ALA H H 82 8.240 8.240 8.611 -0.371 19694 5063 1 11 . 1 1 83 83 LYS N N 83 123.580 123.580 125.917 -2.337 19694 5064 1 11 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.452 0.038 19694 5065 1 11 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.594 0.205 19694 5066 1 11 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.096 0.624 19694 5067 1 11 . 1 1 83 83 LYS H H 83 8.400 8.400 8.368 0.032 19694 5068 1 11 . 1 1 84 84 GLU N N 84 125.470 125.470 120.280 5.190 19694 5069 1 11 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.117 -0.297 19694 5070 1 11 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.247 -0.627 19694 5071 1 11 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.590 -2.380 19694 5072 1 11 . 1 1 84 84 GLU H H 84 9.320 9.320 8.748 0.572 19694 5073 1 11 . 1 1 85 85 ASP N N 85 118.550 118.550 114.268 4.282 19694 5074 1 11 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.765 -0.165 19694 5075 1 11 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.755 1.645 19694 5076 1 11 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.143 -1.743 19694 5077 1 11 . 1 1 85 85 ASP H H 85 8.730 8.730 8.343 0.387 19694 5078 1 11 . 1 1 86 86 GLN N N 86 119.050 119.050 117.201 1.849 19694 5079 1 11 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.676 -0.136 19694 5080 1 11 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.983 1.117 19694 5081 1 11 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.971 -0.861 19694 5082 1 11 . 1 1 86 86 GLN H H 86 8.170 8.170 7.585 0.585 19694 5083 1 11 . 1 1 87 87 LEU N N 87 123.110 123.110 121.243 1.867 19694 5084 1 11 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.178 -0.558 19694 5085 1 11 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.995 0.525 19694 5086 1 11 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.611 -1.911 19694 5087 1 11 . 1 1 87 87 LEU H H 87 8.490 8.490 8.477 0.013 19694 5088 1 11 . 1 1 88 88 LEU N N 88 123.690 123.690 120.052 3.638 19694 5089 1 11 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.934 0.946 19694 5090 1 11 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.838 0.502 19694 5091 1 11 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.810 -0.620 19694 5092 1 11 . 1 1 88 88 LEU H H 88 8.930 8.930 8.369 0.561 19694 5093 1 11 . 1 1 89 89 CYS N N 89 122.270 122.270 119.205 3.065 19694 5094 1 11 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.774 0.006 19694 5095 1 11 . 1 1 89 89 CYS CA C 89 57.640 57.640 58.951 -1.311 19694 5096 1 11 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.798 3.142 19694 5097 1 11 . 1 1 89 89 CYS H H 89 9.430 9.430 9.013 0.417 19694 5098 1 11 . 1 1 90 90 THR N N 90 110.620 110.620 117.711 -7.091 19694 5099 1 11 . 1 1 90 90 THR HA H 90 3.900 3.900 3.970 -0.070 19694 5100 1 11 . 1 1 90 90 THR CA C 90 65.460 65.460 66.108 -0.648 19694 5101 1 11 . 1 1 90 90 THR CB C 90 68.670 68.670 68.728 -0.058 19694 5102 1 11 . 1 1 90 90 THR H H 90 8.410 8.410 9.044 -0.634 19694 5103 1 11 . 1 1 91 91 ASP N N 91 123.470 123.470 120.725 2.745 19694 5104 1 11 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.623 -0.133 19694 5105 1 11 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.475 0.335 19694 5106 1 11 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.677 0.483 19694 5107 1 11 . 1 1 91 91 ASP H H 91 8.150 8.150 8.532 -0.382 19694 5108 1 11 . 1 1 92 92 CYS N N 92 123.800 123.800 119.325 4.475 19694 5109 1 11 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.431 -0.461 19694 5110 1 11 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.384 2.716 19694 5111 1 11 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.565 3.525 19694 5112 1 11 . 1 1 92 92 CYS H H 92 8.580 8.580 8.073 0.507 19694 5113 1 11 . 1 1 93 93 TYR N N 93 120.730 120.730 121.553 -0.823 19694 5114 1 11 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.225 -0.085 19694 5115 1 11 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.333 -0.953 19694 5116 1 11 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.455 0.845 19694 5117 1 11 . 1 1 93 93 TYR H H 93 8.540 8.540 9.085 -0.545 19694 5118 1 11 . 1 1 94 94 SER N N 94 115.010 115.010 113.005 2.005 19694 5119 1 11 . 1 1 94 94 SER HA H 94 4.220 4.220 4.137 0.083 19694 5120 1 11 . 1 1 94 94 SER CA C 94 59.300 59.300 60.819 -1.519 19694 5121 1 11 . 1 1 94 94 SER CB C 94 63.660 63.660 62.730 0.930 19694 5122 1 11 . 1 1 94 94 SER H H 94 7.750 7.750 8.071 -0.321 19694 5123 1 11 . 1 1 95 95 ASN N N 95 119.820 119.820 119.930 -0.110 19694 5124 1 11 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.558 -0.048 19694 5125 1 11 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.761 -1.881 19694 5126 1 11 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.833 0.467 19694 5127 1 11 . 1 1 95 95 ASN H H 95 7.780 7.780 7.706 0.074 19694 5128 1 11 . 1 1 96 96 GLU N N 96 119.820 119.820 117.531 2.289 19694 5129 1 11 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.206 -0.110 19694 5130 1 11 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.060 -0.151 19694 5131 1 11 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.018 1.202 19694 5132 1 11 . 1 1 96 96 GLU H H 96 7.950 7.950 7.848 0.102 19694 5133 1 11 . 1 1 97 97 TYR N N 97 120.370 120.370 121.109 -0.739 19694 5134 1 11 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.935 0.685 19694 5135 1 11 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.524 -1.824 19694 5136 1 11 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.402 0.308 19694 5137 1 11 . 1 1 97 97 TYR H H 97 8.070 8.070 8.443 -0.373 19694 5138 1 12 . 1 1 2 2 THR N N 2 113.570 113.570 116.771 -3.201 19694 5139 1 12 . 1 1 2 2 THR HA H 2 4.240 4.240 4.343 -0.103 19694 5140 1 12 . 1 1 2 2 THR CA C 2 62.130 62.130 63.201 -1.071 19694 5141 1 12 . 1 1 2 2 THR CB C 2 69.250 69.250 69.168 0.082 19694 5142 1 12 . 1 1 2 2 THR H H 2 8.090 8.090 8.157 -0.067 19694 5143 1 12 . 1 1 3 3 GLU N N 3 122.880 122.880 120.247 2.633 19694 5144 1 12 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.575 -0.295 19694 5145 1 12 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.208 1.652 19694 5146 1 12 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.729 -0.159 19694 5147 1 12 . 1 1 3 3 GLU H H 3 8.280 8.280 7.967 0.313 19694 5148 1 12 . 1 1 4 4 ARG N N 4 121.330 121.330 119.820 1.510 19694 5149 1 12 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.632 -0.332 19694 5150 1 12 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.130 0.740 19694 5151 1 12 . 1 1 4 4 ARG CB C 4 31.640 31.640 31.077 0.563 19694 5152 1 12 . 1 1 4 4 ARG H H 4 8.280 8.280 8.585 -0.305 19694 5153 1 12 . 1 1 5 5 PHE N N 5 125.490 125.490 125.279 0.211 19694 5154 1 12 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.539 0.071 19694 5155 1 12 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.458 -0.078 19694 5156 1 12 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.394 0.166 19694 5157 1 12 . 1 1 5 5 PHE H H 5 8.290 8.290 8.861 -0.571 19694 5158 1 12 . 1 1 6 6 ASP N N 6 123.260 123.260 121.552 1.708 19694 5159 1 12 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.847 0.198 19694 5160 1 12 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.244 -1.064 19694 5161 1 12 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.469 -0.259 19694 5162 1 12 . 1 1 6 6 ASP H H 6 7.940 7.940 7.573 0.367 19694 5163 1 12 . 1 1 7 7 CYS N N 7 121.440 121.440 122.939 -1.499 19694 5164 1 12 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.447 -0.487 19694 5165 1 12 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.621 0.199 19694 5166 1 12 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.245 4.705 19694 5167 1 12 . 1 1 7 7 CYS H H 7 8.700 8.700 8.625 0.075 19694 5168 1 12 . 1 1 8 8 HIS N N 8 129.390 129.390 129.710 -0.320 19694 5169 1 12 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.198 0.002 19694 5170 1 12 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.284 -1.044 19694 5171 1 12 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.147 -0.667 19694 5172 1 12 . 1 1 8 8 HIS H H 8 9.160 9.160 9.644 -0.484 19694 5173 1 12 . 1 1 9 9 HIS N N 9 118.740 118.740 117.410 1.330 19694 5174 1 12 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.353 0.527 19694 5175 1 12 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.267 1.413 19694 5176 1 12 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.150 0.890 19694 5177 1 12 . 1 1 9 9 HIS H H 9 9.270 9.270 8.019 1.251 19694 5178 1 12 . 1 1 10 10 CYS N N 10 118.600 118.600 118.615 -0.015 19694 5179 1 12 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.303 0.297 19694 5180 1 12 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.496 0.104 19694 5181 1 12 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.073 4.258 19694 5182 1 12 . 1 1 10 10 CYS H H 10 8.550 8.550 8.019 0.531 19694 5183 1 12 . 1 1 11 11 ASN N N 11 116.220 116.220 117.043 -0.823 19694 5184 1 12 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.454 -0.044 19694 5185 1 12 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.433 1.207 19694 5186 1 12 . 1 1 11 11 ASN CB C 11 38.200 38.200 35.924 2.276 19694 5187 1 12 . 1 1 11 11 ASN H H 11 7.690 7.690 8.861 -1.171 19694 5188 1 12 . 1 1 12 12 GLU N N 12 120.330 120.330 118.006 2.324 19694 5189 1 12 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.538 -0.318 19694 5190 1 12 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.812 1.888 19694 5191 1 12 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.684 0.226 19694 5192 1 12 . 1 1 12 12 GLU H H 12 8.210 8.210 7.769 0.441 19694 5193 1 12 . 1 1 13 13 SER N N 13 116.190 116.190 120.195 -4.005 19694 5194 1 12 . 1 1 13 13 SER HA H 13 4.060 4.060 4.356 -0.296 19694 5195 1 12 . 1 1 13 13 SER CA C 13 59.350 59.350 58.661 0.689 19694 5196 1 12 . 1 1 13 13 SER CB C 13 63.820 63.820 63.632 0.188 19694 5197 1 12 . 1 1 13 13 SER H H 13 8.520 8.520 8.699 -0.179 19694 5198 1 12 . 1 1 14 14 LEU N N 14 126.060 126.060 126.240 -0.180 19694 5199 1 12 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.350 -0.040 19694 5200 1 12 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.970 -1.870 19694 5201 1 12 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.666 0.534 19694 5202 1 12 . 1 1 14 14 LEU H H 14 8.910 8.910 7.731 1.179 19694 5203 1 12 . 1 1 15 15 PHE N N 15 120.660 120.660 120.955 -0.295 19694 5204 1 12 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.607 -0.127 19694 5205 1 12 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.152 4.248 19694 5206 1 12 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.984 0.145 19694 5207 1 12 . 1 1 15 15 PHE H H 15 7.820 7.820 8.526 -0.706 19694 5208 1 12 . 1 1 16 16 GLY N N 16 114.730 114.730 110.949 3.781 19694 5209 1 12 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.798 0.102 19694 5210 1 12 . 1 1 16 16 GLY H H 16 8.860 8.860 8.801 0.059 19694 5211 1 12 . 1 1 17 17 LYS N N 17 119.580 119.580 120.184 -0.604 19694 5212 1 12 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.513 -0.033 19694 5213 1 12 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.457 0.003 19694 5214 1 12 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.307 1.492 19694 5215 1 12 . 1 1 17 17 LYS H H 17 8.030 8.030 7.242 0.788 19694 5216 1 12 . 1 1 18 18 LYS N N 18 120.330 120.330 122.238 -1.908 19694 5217 1 12 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.316 -0.036 19694 5218 1 12 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.442 -0.642 19694 5219 1 12 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.757 0.253 19694 5220 1 12 . 1 1 18 18 LYS H H 18 8.190 8.190 8.458 -0.268 19694 5221 1 12 . 1 1 19 19 TYR N N 19 117.500 117.500 115.201 2.299 19694 5222 1 12 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.836 0.404 19694 5223 1 12 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.302 -0.962 19694 5224 1 12 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.304 2.546 19694 5225 1 12 . 1 1 19 19 TYR H H 19 7.610 7.610 7.863 -0.253 19694 5226 1 12 . 1 1 20 20 ILE N N 20 121.430 121.430 121.836 -0.406 19694 5227 1 12 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.258 -0.121 19694 5228 1 12 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.138 -0.128 19694 5229 1 12 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.594 0.976 19694 5230 1 12 . 1 1 20 20 ILE H H 20 9.350 9.350 8.239 1.111 19694 5231 1 12 . 1 1 21 21 LEU N N 21 126.720 126.720 126.205 0.515 19694 5232 1 12 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.770 0.320 19694 5233 1 12 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.957 0.063 19694 5234 1 12 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.761 2.959 19694 5235 1 12 . 1 1 21 21 LEU H H 21 8.530 8.530 8.510 0.020 19694 5236 1 12 . 1 1 22 22 ARG N N 22 123.930 123.930 125.138 -1.208 19694 5237 1 12 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.502 -0.062 19694 5238 1 12 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.003 1.597 19694 5239 1 12 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.515 -0.235 19694 5240 1 12 . 1 1 22 22 ARG H H 22 9.080 9.080 8.877 0.203 19694 5241 1 12 . 1 1 23 23 GLU N N 23 128.500 128.500 124.164 4.336 19694 5242 1 12 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.934 -0.094 19694 5243 1 12 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.342 0.688 19694 5244 1 12 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.837 -0.637 19694 5245 1 12 . 1 1 23 23 GLU H H 23 9.610 9.610 9.030 0.580 19694 5246 1 12 . 1 1 24 24 GLU N N 24 110.300 110.300 112.893 -2.593 19694 5247 1 12 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.894 -0.114 19694 5248 1 12 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.404 0.916 19694 5249 1 12 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.557 0.663 19694 5250 1 12 . 1 1 24 24 GLU H H 24 8.660 8.660 8.774 -0.114 19694 5251 1 12 . 1 1 25 25 SER N N 25 117.700 117.700 113.435 4.265 19694 5252 1 12 . 1 1 25 25 SER HA H 25 4.890 4.890 4.777 0.113 19694 5253 1 12 . 1 1 25 25 SER CA C 25 56.540 56.540 55.276 1.264 19694 5254 1 12 . 1 1 25 25 SER CB C 25 64.720 64.720 65.129 -0.409 19694 5255 1 12 . 1 1 25 25 SER H H 25 7.900 7.900 7.741 0.159 19694 5256 1 12 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.851 0.144 19694 5257 1 12 . 1 1 26 26 PRO CA C 26 61.750 61.750 62.985 -1.235 19694 5258 1 12 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.826 0.834 19694 5259 1 12 . 1 1 27 27 TYR N N 27 118.100 118.100 123.553 -5.453 19694 5260 1 12 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.979 0.931 19694 5261 1 12 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.897 1.933 19694 5262 1 12 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.520 0.290 19694 5263 1 12 . 1 1 27 27 TYR H H 27 9.040 9.040 8.716 0.324 19694 5264 1 12 . 1 1 28 28 CYS N N 28 122.230 122.230 119.158 3.072 19694 5265 1 12 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.723 0.127 19694 5266 1 12 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.065 0.045 19694 5267 1 12 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.153 1.377 19694 5268 1 12 . 1 1 28 28 CYS H H 28 9.850 9.850 8.355 1.495 19694 5269 1 12 . 1 1 29 29 VAL N N 29 118.200 118.200 123.264 -5.064 19694 5270 1 12 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.642 0.008 19694 5271 1 12 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.658 0.742 19694 5272 1 12 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.552 0.308 19694 5273 1 12 . 1 1 29 29 VAL H H 29 8.430 8.430 8.937 -0.507 19694 5274 1 12 . 1 1 30 30 VAL N N 30 119.570 119.570 118.699 0.871 19694 5275 1 12 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.535 0.325 19694 5276 1 12 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.027 0.423 19694 5277 1 12 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.180 0.360 19694 5278 1 12 . 1 1 30 30 VAL H H 30 7.700 7.700 8.168 -0.468 19694 5279 1 12 . 1 1 31 31 CYS N N 31 125.890 125.890 119.215 6.675 19694 5280 1 12 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.881 -0.051 19694 5281 1 12 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.264 1.586 19694 5282 1 12 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.483 4.027 19694 5283 1 12 . 1 1 31 31 CYS H H 31 9.050 9.050 7.662 1.388 19694 5284 1 12 . 1 1 32 32 PHE N N 32 119.000 119.000 119.316 -0.316 19694 5285 1 12 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.681 0.099 19694 5286 1 12 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.755 0.855 19694 5287 1 12 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.027 0.893 19694 5288 1 12 . 1 1 32 32 PHE H H 32 9.080 9.080 7.883 1.197 19694 5289 1 12 . 1 1 33 33 GLU N N 33 117.470 117.470 118.205 -0.735 19694 5290 1 12 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.053 -0.293 19694 5291 1 12 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.421 -0.211 19694 5292 1 12 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.230 0.250 19694 5293 1 12 . 1 1 33 33 GLU H H 33 8.510 8.510 8.248 0.262 19694 5294 1 12 . 1 1 34 34 THR N N 34 114.140 114.140 115.447 -1.307 19694 5295 1 12 . 1 1 34 34 THR HA H 34 3.730 3.730 3.896 -0.166 19694 5296 1 12 . 1 1 34 34 THR CA C 34 65.890 65.890 66.075 -0.185 19694 5297 1 12 . 1 1 34 34 THR CB C 34 69.210 69.210 68.730 0.480 19694 5298 1 12 . 1 1 34 34 THR H H 34 7.880 7.880 8.302 -0.422 19694 5299 1 12 . 1 1 35 35 LEU N N 35 117.980 117.980 118.855 -0.875 19694 5300 1 12 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.949 -0.299 19694 5301 1 12 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.242 -0.382 19694 5302 1 12 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.812 0.058 19694 5303 1 12 . 1 1 35 35 LEU H H 35 7.660 7.660 7.739 -0.079 19694 5304 1 12 . 1 1 36 36 PHE N N 36 113.900 113.900 112.957 0.943 19694 5305 1 12 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.469 0.128 19694 5306 1 12 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.440 0.420 19694 5307 1 12 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.275 2.295 19694 5308 1 12 . 1 1 36 36 PHE H H 36 7.730 7.730 6.685 1.045 19694 5309 1 12 . 1 1 37 37 ALA N N 37 121.920 121.920 123.209 -1.289 19694 5310 1 12 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.114 -0.044 19694 5311 1 12 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.307 0.593 19694 5312 1 12 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.472 0.298 19694 5313 1 12 . 1 1 37 37 ALA H H 37 7.090 7.090 7.787 -0.697 19694 5314 1 12 . 1 1 38 38 ASN N N 38 119.230 119.230 119.426 -0.196 19694 5315 1 12 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.647 -0.197 19694 5316 1 12 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.683 0.167 19694 5317 1 12 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.980 -1.030 19694 5318 1 12 . 1 1 38 38 ASN H H 38 8.790 8.790 8.478 0.312 19694 5319 1 12 . 1 1 39 39 THR N N 39 116.330 116.330 115.975 0.355 19694 5320 1 12 . 1 1 39 39 THR HA H 39 3.990 3.990 4.457 -0.467 19694 5321 1 12 . 1 1 39 39 THR CA C 39 62.130 62.130 62.970 -0.840 19694 5322 1 12 . 1 1 39 39 THR CB C 39 69.920 69.920 69.604 0.316 19694 5323 1 12 . 1 1 39 39 THR H H 39 8.540 8.540 8.144 0.396 19694 5324 1 12 . 1 1 40 40 CYS N N 40 126.950 126.950 128.261 -1.311 19694 5325 1 12 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.461 -0.161 19694 5326 1 12 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.170 1.180 19694 5327 1 12 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.645 4.955 19694 5328 1 12 . 1 1 40 40 CYS H H 40 7.940 7.940 8.457 -0.517 19694 5329 1 12 . 1 1 41 41 GLU N N 41 130.560 130.560 127.623 2.937 19694 5330 1 12 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.838 -0.148 19694 5331 1 12 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.138 -0.538 19694 5332 1 12 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.419 1.041 19694 5333 1 12 . 1 1 41 41 GLU H H 41 8.810 8.810 8.652 0.158 19694 5334 1 12 . 1 1 42 42 GLU N N 42 119.680 119.680 118.294 1.386 19694 5335 1 12 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.347 0.223 19694 5336 1 12 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.136 -0.136 19694 5337 1 12 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.555 1.125 19694 5338 1 12 . 1 1 42 42 GLU H H 42 8.500 8.500 8.119 0.381 19694 5339 1 12 . 1 1 43 43 CYS N N 43 115.600 115.600 116.383 -0.783 19694 5340 1 12 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.559 0.451 19694 5341 1 12 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.150 -1.340 19694 5342 1 12 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.261 2.319 19694 5343 1 12 . 1 1 43 43 CYS H H 43 8.120 8.120 7.955 0.165 19694 5344 1 12 . 1 1 44 44 GLY N N 44 112.100 112.100 106.966 5.134 19694 5345 1 12 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.371 1.049 19694 5346 1 12 . 1 1 44 44 GLY H H 44 7.900 7.900 8.615 -0.715 19694 5347 1 12 . 1 1 45 45 LYS N N 45 121.210 121.210 121.859 -0.649 19694 5348 1 12 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.743 0.097 19694 5349 1 12 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.637 1.723 19694 5350 1 12 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.352 0.078 19694 5351 1 12 . 1 1 45 45 LYS H H 45 8.180 8.180 7.849 0.331 19694 5352 1 12 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.558 -0.081 19694 5353 1 12 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.028 -0.328 19694 5354 1 12 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.053 0.437 19694 5355 1 12 . 1 1 47 47 ILE N N 47 125.280 125.280 123.099 2.181 19694 5356 1 12 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.273 -0.443 19694 5357 1 12 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.745 0.295 19694 5358 1 12 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.679 -0.239 19694 5359 1 12 . 1 1 47 47 ILE H H 47 8.540 8.540 8.863 -0.323 19694 5360 1 12 . 1 1 48 48 GLY N N 48 114.120 114.120 113.543 0.577 19694 5361 1 12 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.644 0.596 19694 5362 1 12 . 1 1 48 48 GLY H H 48 8.660 8.660 8.469 0.191 19694 5363 1 12 . 1 1 49 49 CYS N N 49 117.140 117.140 123.080 -5.940 19694 5364 1 12 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.289 -0.009 19694 5365 1 12 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.321 0.559 19694 5366 1 12 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.491 0.159 19694 5367 1 12 . 1 1 49 49 CYS H H 49 9.210 9.210 9.220 -0.010 19694 5368 1 12 . 1 1 50 50 ASP N N 50 119.300 119.300 119.562 -0.262 19694 5369 1 12 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.592 0.028 19694 5370 1 12 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.524 -0.364 19694 5371 1 12 . 1 1 50 50 ASP CB C 50 40.380 40.380 39.257 1.123 19694 5372 1 12 . 1 1 50 50 ASP H H 50 8.800 8.800 8.483 0.317 19694 5373 1 12 . 1 1 51 51 CYS N N 51 118.150 118.150 116.777 1.373 19694 5374 1 12 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.626 -0.006 19694 5375 1 12 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.356 0.674 19694 5376 1 12 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.585 -1.495 19694 5377 1 12 . 1 1 51 51 CYS H H 51 7.590 7.590 7.398 0.192 19694 5378 1 12 . 1 1 52 52 LYS N N 52 123.800 123.800 122.973 0.827 19694 5379 1 12 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.362 -0.182 19694 5380 1 12 . 1 1 52 52 LYS CA C 52 57.240 57.240 55.666 1.574 19694 5381 1 12 . 1 1 52 52 LYS CB C 52 33.030 33.030 30.906 2.124 19694 5382 1 12 . 1 1 52 52 LYS H H 52 8.600 8.600 8.566 0.034 19694 5383 1 12 . 1 1 53 53 ASP N N 53 124.900 124.900 123.685 1.215 19694 5384 1 12 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.694 -0.464 19694 5385 1 12 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.003 0.127 19694 5386 1 12 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.468 1.762 19694 5387 1 12 . 1 1 53 53 ASP H H 53 8.250 8.250 8.321 -0.071 19694 5388 1 12 . 1 1 54 54 LEU N N 54 130.160 130.160 124.840 5.320 19694 5389 1 12 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.574 -0.134 19694 5390 1 12 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.171 -1.831 19694 5391 1 12 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.109 -1.939 19694 5392 1 12 . 1 1 54 54 LEU H H 54 8.670 8.670 8.917 -0.247 19694 5393 1 12 . 1 1 55 55 SER N N 55 113.820 113.820 121.711 -7.891 19694 5394 1 12 . 1 1 55 55 SER HA H 55 5.580 5.580 5.202 0.378 19694 5395 1 12 . 1 1 55 55 SER CA C 55 55.850 55.850 57.221 -1.371 19694 5396 1 12 . 1 1 55 55 SER CB C 55 67.300 67.300 64.615 2.685 19694 5397 1 12 . 1 1 55 55 SER H H 55 8.160 8.160 8.605 -0.445 19694 5398 1 12 . 1 1 56 56 TYR N N 56 122.610 122.610 125.568 -2.958 19694 5399 1 12 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.645 -0.025 19694 5400 1 12 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.320 0.490 19694 5401 1 12 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.700 -1.700 19694 5402 1 12 . 1 1 56 56 TYR H H 56 8.450 8.450 9.074 -0.624 19694 5403 1 12 . 1 1 57 57 LYS N N 57 126.020 126.020 128.746 -2.726 19694 5404 1 12 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.864 -0.394 19694 5405 1 12 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.431 0.668 19694 5406 1 12 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.014 -2.534 19694 5407 1 12 . 1 1 57 57 LYS H H 57 8.920 8.920 8.632 0.288 19694 5408 1 12 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.218 -0.388 19694 5409 1 12 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.405 -0.505 19694 5410 1 12 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.642 -0.562 19694 5411 1 12 . 1 1 58 58 ASP H H 58 8.400 8.400 8.554 -0.154 19694 5412 1 12 . 1 1 59 59 ARG N N 59 121.190 121.190 115.971 5.219 19694 5413 1 12 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.532 -0.282 19694 5414 1 12 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.093 1.486 19694 5415 1 12 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.398 0.062 19694 5416 1 12 . 1 1 59 59 ARG H H 59 7.980 7.980 7.866 0.114 19694 5417 1 12 . 1 1 60 60 HIS N N 60 118.420 118.420 117.734 0.686 19694 5418 1 12 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.650 -0.380 19694 5419 1 12 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.240 -0.230 19694 5420 1 12 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.348 -0.968 19694 5421 1 12 . 1 1 60 60 HIS H H 60 8.350 8.350 8.112 0.238 19694 5422 1 12 . 1 1 61 61 TRP N N 61 119.990 119.990 118.346 1.644 19694 5423 1 12 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.792 1.138 19694 5424 1 12 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.133 0.267 19694 5425 1 12 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.223 1.157 19694 5426 1 12 . 1 1 61 61 TRP H H 61 9.310 9.310 9.325 -0.015 19694 5427 1 12 . 1 1 62 62 HIS N N 62 117.270 117.270 121.460 -4.190 19694 5428 1 12 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.819 -0.219 19694 5429 1 12 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.509 1.701 19694 5430 1 12 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.520 0.680 19694 5431 1 12 . 1 1 62 62 HIS H H 62 8.430 8.430 9.140 -0.710 19694 5432 1 12 . 1 1 63 63 GLU N N 63 124.640 124.640 128.801 -4.161 19694 5433 1 12 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.970 -0.143 19694 5434 1 12 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.652 1.368 19694 5435 1 12 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.708 0.602 19694 5436 1 12 . 1 1 63 63 GLU H H 63 9.040 9.040 8.424 0.616 19694 5437 1 12 . 1 1 64 64 ALA N N 64 117.050 117.050 117.777 -0.727 19694 5438 1 12 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.213 0.017 19694 5439 1 12 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.967 1.033 19694 5440 1 12 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.048 -0.168 19694 5441 1 12 . 1 1 64 64 ALA H H 64 8.680 8.680 8.296 0.384 19694 5442 1 12 . 1 1 65 65 CYS N N 65 115.380 115.380 116.994 -1.614 19694 5443 1 12 . 1 1 65 65 CYS HA H 65 4.295 4.295 3.962 0.333 19694 5444 1 12 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.167 -0.317 19694 5445 1 12 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.168 5.672 19694 5446 1 12 . 1 1 65 65 CYS H H 65 7.490 7.490 8.125 -0.635 19694 5447 1 12 . 1 1 66 66 PHE N N 66 122.020 122.020 123.045 -1.025 19694 5448 1 12 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.947 -0.057 19694 5449 1 12 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.675 -1.665 19694 5450 1 12 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.207 -0.137 19694 5451 1 12 . 1 1 66 66 PHE H H 66 7.110 7.110 7.593 -0.483 19694 5452 1 12 . 1 1 67 67 HIS N N 67 121.280 121.280 122.136 -0.856 19694 5453 1 12 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.189 -0.469 19694 5454 1 12 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.917 -0.187 19694 5455 1 12 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.708 1.522 19694 5456 1 12 . 1 1 67 67 HIS H H 67 7.380 7.380 8.073 -0.693 19694 5457 1 12 . 1 1 68 68 CYS N N 68 121.590 121.590 118.643 2.947 19694 5458 1 12 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.886 -0.926 19694 5459 1 12 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.856 1.934 19694 5460 1 12 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.324 1.876 19694 5461 1 12 . 1 1 68 68 CYS H H 68 8.530 8.530 8.302 0.228 19694 5462 1 12 . 1 1 69 69 SER N N 69 126.530 126.530 120.026 6.504 19694 5463 1 12 . 1 1 69 69 SER HA H 69 4.310 4.310 3.960 0.350 19694 5464 1 12 . 1 1 69 69 SER CA C 69 61.760 61.760 60.829 0.931 19694 5465 1 12 . 1 1 69 69 SER CB C 69 64.040 64.040 62.992 1.048 19694 5466 1 12 . 1 1 69 69 SER H H 69 9.460 9.460 8.645 0.815 19694 5467 1 12 . 1 1 70 70 GLN N N 70 122.370 122.370 118.455 3.915 19694 5468 1 12 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.351 0.159 19694 5469 1 12 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.412 0.428 19694 5470 1 12 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.356 1.074 19694 5471 1 12 . 1 1 70 70 GLN H H 70 8.980 8.980 7.895 1.085 19694 5472 1 12 . 1 1 71 71 CYS N N 71 118.860 118.860 115.632 3.228 19694 5473 1 12 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.733 -0.013 19694 5474 1 12 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.398 1.372 19694 5475 1 12 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.291 3.619 19694 5476 1 12 . 1 1 71 71 CYS H H 71 8.220 8.220 7.669 0.551 19694 5477 1 12 . 1 1 72 72 ARG N N 72 114.380 114.380 115.729 -1.349 19694 5478 1 12 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.831 0.134 19694 5479 1 12 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.249 0.781 19694 5480 1 12 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.037 0.683 19694 5481 1 12 . 1 1 72 72 ARG H H 72 7.380 7.380 7.779 -0.399 19694 5482 1 12 . 1 1 73 73 ASN N N 73 121.480 121.480 116.386 5.094 19694 5483 1 12 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.656 -0.026 19694 5484 1 12 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.993 0.117 19694 5485 1 12 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.626 -0.756 19694 5486 1 12 . 1 1 73 73 ASN H H 73 8.722 8.722 8.167 0.555 19694 5487 1 12 . 1 1 74 74 SER N N 74 114.710 114.710 117.722 -3.012 19694 5488 1 12 . 1 1 74 74 SER HA H 74 4.060 4.060 4.800 -0.740 19694 5489 1 12 . 1 1 74 74 SER CA C 74 59.357 59.357 58.107 1.250 19694 5490 1 12 . 1 1 74 74 SER CB C 74 63.300 63.300 62.655 0.645 19694 5491 1 12 . 1 1 74 74 SER H H 74 8.690 8.690 8.504 0.186 19694 5492 1 12 . 1 1 75 75 LEU N N 75 125.757 125.757 128.058 -2.301 19694 5493 1 12 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.258 0.022 19694 5494 1 12 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.820 -1.310 19694 5495 1 12 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.781 0.419 19694 5496 1 12 . 1 1 75 75 LEU H H 75 7.970 7.970 7.998 -0.028 19694 5497 1 12 . 1 1 76 76 VAL N N 76 120.860 120.860 123.893 -3.033 19694 5498 1 12 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.883 -0.313 19694 5499 1 12 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.748 4.672 19694 5500 1 12 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.327 -3.787 19694 5501 1 12 . 1 1 76 76 VAL H H 76 7.830 7.830 8.005 -0.175 19694 5502 1 12 . 1 1 77 77 ASP N N 77 122.360 122.360 121.643 0.717 19694 5503 1 12 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.426 -0.196 19694 5504 1 12 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.756 0.444 19694 5505 1 12 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.389 -1.009 19694 5506 1 12 . 1 1 77 77 ASP H H 77 8.910 8.910 8.438 0.472 19694 5507 1 12 . 1 1 78 78 LYS N N 78 118.100 118.100 118.951 -0.851 19694 5508 1 12 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.616 0.254 19694 5509 1 12 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.452 3.508 19694 5510 1 12 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.891 0.789 19694 5511 1 12 . 1 1 78 78 LYS H H 78 7.660 7.660 7.593 0.067 19694 5512 1 12 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.227 0.233 19694 5513 1 12 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.909 -0.389 19694 5514 1 12 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.906 0.254 19694 5515 1 12 . 1 1 80 80 PHE N N 80 114.050 114.050 116.969 -2.919 19694 5516 1 12 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.047 -0.137 19694 5517 1 12 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.092 0.968 19694 5518 1 12 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.920 0.490 19694 5519 1 12 . 1 1 80 80 PHE H H 80 7.510 7.510 7.192 0.318 19694 5520 1 12 . 1 1 81 81 ALA N N 81 123.290 123.290 123.619 -0.329 19694 5521 1 12 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.367 -0.057 19694 5522 1 12 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.411 0.039 19694 5523 1 12 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.920 3.000 19694 5524 1 12 . 1 1 81 81 ALA H H 81 9.030 9.030 8.874 0.156 19694 5525 1 12 . 1 1 82 82 ALA N N 82 122.490 122.490 129.051 -6.561 19694 5526 1 12 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.395 0.715 19694 5527 1 12 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.811 -0.711 19694 5528 1 12 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.842 2.288 19694 5529 1 12 . 1 1 82 82 ALA H H 82 8.240 8.240 8.620 -0.380 19694 5530 1 12 . 1 1 83 83 LYS N N 83 123.580 123.580 125.979 -2.399 19694 5531 1 12 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.516 -0.026 19694 5532 1 12 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.386 0.414 19694 5533 1 12 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.135 0.585 19694 5534 1 12 . 1 1 83 83 LYS H H 83 8.400 8.400 8.218 0.182 19694 5535 1 12 . 1 1 84 84 GLU N N 84 125.470 125.470 120.690 4.780 19694 5536 1 12 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.116 -0.296 19694 5537 1 12 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.009 -0.389 19694 5538 1 12 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.745 -2.535 19694 5539 1 12 . 1 1 84 84 GLU H H 84 9.320 9.320 8.776 0.544 19694 5540 1 12 . 1 1 85 85 ASP N N 85 118.550 118.550 114.081 4.469 19694 5541 1 12 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.766 -0.166 19694 5542 1 12 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.090 1.310 19694 5543 1 12 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.918 -1.518 19694 5544 1 12 . 1 1 85 85 ASP H H 85 8.730 8.730 8.201 0.529 19694 5545 1 12 . 1 1 86 86 GLN N N 86 119.050 119.050 116.672 2.378 19694 5546 1 12 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.666 -0.126 19694 5547 1 12 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.856 1.244 19694 5548 1 12 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.872 -0.762 19694 5549 1 12 . 1 1 86 86 GLN H H 86 8.170 8.170 7.575 0.595 19694 5550 1 12 . 1 1 87 87 LEU N N 87 123.110 123.110 121.344 1.766 19694 5551 1 12 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.171 -0.551 19694 5552 1 12 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.024 0.496 19694 5553 1 12 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.491 -1.791 19694 5554 1 12 . 1 1 87 87 LEU H H 87 8.490 8.490 8.493 -0.003 19694 5555 1 12 . 1 1 88 88 LEU N N 88 123.690 123.690 120.206 3.484 19694 5556 1 12 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.942 0.938 19694 5557 1 12 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.777 0.563 19694 5558 1 12 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.771 -0.581 19694 5559 1 12 . 1 1 88 88 LEU H H 88 8.930 8.930 8.337 0.593 19694 5560 1 12 . 1 1 89 89 CYS N N 89 122.270 122.270 119.004 3.266 19694 5561 1 12 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.850 -0.070 19694 5562 1 12 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.190 -1.550 19694 5563 1 12 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.985 2.955 19694 5564 1 12 . 1 1 89 89 CYS H H 89 9.430 9.430 9.066 0.364 19694 5565 1 12 . 1 1 90 90 THR N N 90 110.620 110.620 115.943 -5.323 19694 5566 1 12 . 1 1 90 90 THR HA H 90 3.900 3.900 3.953 -0.053 19694 5567 1 12 . 1 1 90 90 THR CA C 90 65.460 65.460 65.644 -0.184 19694 5568 1 12 . 1 1 90 90 THR CB C 90 68.670 68.670 68.828 -0.158 19694 5569 1 12 . 1 1 90 90 THR H H 90 8.410 8.410 8.883 -0.473 19694 5570 1 12 . 1 1 91 91 ASP N N 91 123.470 123.470 122.144 1.326 19694 5571 1 12 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.638 -0.148 19694 5572 1 12 . 1 1 91 91 ASP CA C 91 57.810 57.810 56.353 1.457 19694 5573 1 12 . 1 1 91 91 ASP CB C 91 41.160 41.160 39.854 1.306 19694 5574 1 12 . 1 1 91 91 ASP H H 91 8.150 8.150 8.307 -0.157 19694 5575 1 12 . 1 1 92 92 CYS N N 92 123.800 123.800 120.008 3.792 19694 5576 1 12 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.269 -0.299 19694 5577 1 12 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.854 2.246 19694 5578 1 12 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.896 4.194 19694 5579 1 12 . 1 1 92 92 CYS H H 92 8.580 8.580 7.573 1.007 19694 5580 1 12 . 1 1 93 93 TYR N N 93 120.730 120.730 121.353 -0.623 19694 5581 1 12 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.070 0.070 19694 5582 1 12 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.650 -1.270 19694 5583 1 12 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.489 0.811 19694 5584 1 12 . 1 1 93 93 TYR H H 93 8.540 8.540 9.119 -0.579 19694 5585 1 12 . 1 1 94 94 SER N N 94 115.010 115.010 113.739 1.271 19694 5586 1 12 . 1 1 94 94 SER HA H 94 4.220 4.220 4.139 0.081 19694 5587 1 12 . 1 1 94 94 SER CA C 94 59.300 59.300 61.476 -2.176 19694 5588 1 12 . 1 1 94 94 SER CB C 94 63.660 63.660 62.177 1.483 19694 5589 1 12 . 1 1 94 94 SER H H 94 7.750 7.750 8.211 -0.461 19694 5590 1 12 . 1 1 95 95 ASN N N 95 119.820 119.820 118.803 1.017 19694 5591 1 12 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.606 -0.096 19694 5592 1 12 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.307 -1.427 19694 5593 1 12 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.844 0.456 19694 5594 1 12 . 1 1 95 95 ASN H H 95 7.780 7.780 7.854 -0.074 19694 5595 1 12 . 1 1 96 96 GLU N N 96 119.820 119.820 118.337 1.483 19694 5596 1 12 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.166 -0.070 19694 5597 1 12 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.488 -0.578 19694 5598 1 12 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.373 0.847 19694 5599 1 12 . 1 1 96 96 GLU H H 96 7.950 7.950 7.848 0.102 19694 5600 1 12 . 1 1 97 97 TYR N N 97 120.370 120.370 119.775 0.595 19694 5601 1 12 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.229 0.391 19694 5602 1 12 . 1 1 97 97 TYR CA C 97 57.700 57.700 58.576 -0.876 19694 5603 1 12 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.656 0.054 19694 5604 1 12 . 1 1 97 97 TYR H H 97 8.070 8.070 8.313 -0.243 19694 5605 1 13 . 1 1 2 2 THR N N 2 113.570 113.570 116.323 -2.753 19694 5606 1 13 . 1 1 2 2 THR HA H 2 4.240 4.240 4.326 -0.086 19694 5607 1 13 . 1 1 2 2 THR CA C 2 62.130 62.130 63.113 -0.983 19694 5608 1 13 . 1 1 2 2 THR CB C 2 69.250 69.250 69.174 0.076 19694 5609 1 13 . 1 1 2 2 THR H H 2 8.090 8.090 8.194 -0.104 19694 5610 1 13 . 1 1 3 3 GLU N N 3 122.880 122.880 120.721 2.159 19694 5611 1 13 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.207 0.073 19694 5612 1 13 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.559 0.301 19694 5613 1 13 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.295 0.275 19694 5614 1 13 . 1 1 3 3 GLU H H 3 8.280 8.280 8.105 0.175 19694 5615 1 13 . 1 1 4 4 ARG N N 4 121.330 121.330 119.509 1.821 19694 5616 1 13 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.550 -0.250 19694 5617 1 13 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.225 0.645 19694 5618 1 13 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.719 0.921 19694 5619 1 13 . 1 1 4 4 ARG H H 4 8.280 8.280 8.553 -0.273 19694 5620 1 13 . 1 1 5 5 PHE N N 5 125.490 125.490 124.620 0.870 19694 5621 1 13 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.598 0.012 19694 5622 1 13 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.393 -0.013 19694 5623 1 13 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.600 -0.040 19694 5624 1 13 . 1 1 5 5 PHE H H 5 8.290 8.290 8.746 -0.456 19694 5625 1 13 . 1 1 6 6 ASP N N 6 123.260 123.260 121.776 1.484 19694 5626 1 13 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.787 0.258 19694 5627 1 13 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.926 -0.746 19694 5628 1 13 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.581 -0.372 19694 5629 1 13 . 1 1 6 6 ASP H H 6 7.940 7.940 7.620 0.320 19694 5630 1 13 . 1 1 7 7 CYS N N 7 121.440 121.440 122.659 -1.219 19694 5631 1 13 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.453 -0.493 19694 5632 1 13 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.500 0.320 19694 5633 1 13 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.147 4.803 19694 5634 1 13 . 1 1 7 7 CYS H H 7 8.700 8.700 8.585 0.115 19694 5635 1 13 . 1 1 8 8 HIS N N 8 129.390 129.390 129.618 -0.228 19694 5636 1 13 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.242 -0.042 19694 5637 1 13 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.591 -1.351 19694 5638 1 13 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.142 -0.662 19694 5639 1 13 . 1 1 8 8 HIS H H 8 9.160 9.160 9.608 -0.448 19694 5640 1 13 . 1 1 9 9 HIS N N 9 118.740 118.740 116.791 1.949 19694 5641 1 13 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.516 0.364 19694 5642 1 13 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.268 1.412 19694 5643 1 13 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.108 0.933 19694 5644 1 13 . 1 1 9 9 HIS H H 9 9.270 9.270 8.064 1.206 19694 5645 1 13 . 1 1 10 10 CYS N N 10 118.600 118.600 118.567 0.033 19694 5646 1 13 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.311 0.289 19694 5647 1 13 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.513 0.087 19694 5648 1 13 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.085 4.245 19694 5649 1 13 . 1 1 10 10 CYS H H 10 8.550 8.550 8.029 0.521 19694 5650 1 13 . 1 1 11 11 ASN N N 11 116.220 116.220 116.913 -0.693 19694 5651 1 13 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.415 -0.005 19694 5652 1 13 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.355 1.285 19694 5653 1 13 . 1 1 11 11 ASN CB C 11 38.200 38.200 35.779 2.421 19694 5654 1 13 . 1 1 11 11 ASN H H 11 7.690 7.690 8.846 -1.156 19694 5655 1 13 . 1 1 12 12 GLU N N 12 120.330 120.330 117.915 2.415 19694 5656 1 13 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.513 -0.293 19694 5657 1 13 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.716 1.984 19694 5658 1 13 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.012 -0.102 19694 5659 1 13 . 1 1 12 12 GLU H H 12 8.210 8.210 7.810 0.400 19694 5660 1 13 . 1 1 13 13 SER N N 13 116.190 116.190 119.661 -3.471 19694 5661 1 13 . 1 1 13 13 SER HA H 13 4.060 4.060 4.519 -0.459 19694 5662 1 13 . 1 1 13 13 SER CA C 13 59.350 59.350 59.207 0.143 19694 5663 1 13 . 1 1 13 13 SER CB C 13 63.820 63.820 63.438 0.382 19694 5664 1 13 . 1 1 13 13 SER H H 13 8.520 8.520 8.664 -0.144 19694 5665 1 13 . 1 1 14 14 LEU N N 14 126.060 126.060 124.795 1.265 19694 5666 1 13 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.332 -0.022 19694 5667 1 13 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.569 -1.469 19694 5668 1 13 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.614 0.586 19694 5669 1 13 . 1 1 14 14 LEU H H 14 8.910 8.910 7.728 1.182 19694 5670 1 13 . 1 1 15 15 PHE N N 15 120.660 120.660 121.120 -0.460 19694 5671 1 13 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.608 -0.128 19694 5672 1 13 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.402 3.998 19694 5673 1 13 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.919 0.211 19694 5674 1 13 . 1 1 15 15 PHE H H 15 7.820 7.820 8.547 -0.727 19694 5675 1 13 . 1 1 16 16 GLY N N 16 114.730 114.730 110.968 3.762 19694 5676 1 13 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.778 0.122 19694 5677 1 13 . 1 1 16 16 GLY H H 16 8.860 8.860 8.814 0.046 19694 5678 1 13 . 1 1 17 17 LYS N N 17 119.580 119.580 120.109 -0.529 19694 5679 1 13 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.504 -0.024 19694 5680 1 13 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.438 0.022 19694 5681 1 13 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.255 1.544 19694 5682 1 13 . 1 1 17 17 LYS H H 17 8.030 8.030 7.225 0.805 19694 5683 1 13 . 1 1 18 18 LYS N N 18 120.330 120.330 122.373 -2.043 19694 5684 1 13 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.320 -0.040 19694 5685 1 13 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.443 -0.643 19694 5686 1 13 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.842 0.168 19694 5687 1 13 . 1 1 18 18 LYS H H 18 8.190 8.190 8.468 -0.278 19694 5688 1 13 . 1 1 19 19 TYR N N 19 117.500 117.500 115.343 2.157 19694 5689 1 13 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.856 0.384 19694 5690 1 13 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.288 -0.948 19694 5691 1 13 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.333 2.517 19694 5692 1 13 . 1 1 19 19 TYR H H 19 7.610 7.610 7.912 -0.302 19694 5693 1 13 . 1 1 20 20 ILE N N 20 121.430 121.430 121.865 -0.435 19694 5694 1 13 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.242 -0.105 19694 5695 1 13 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.114 -0.104 19694 5696 1 13 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.605 0.965 19694 5697 1 13 . 1 1 20 20 ILE H H 20 9.350 9.350 8.228 1.122 19694 5698 1 13 . 1 1 21 21 LEU N N 21 126.720 126.720 126.076 0.644 19694 5699 1 13 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.759 0.331 19694 5700 1 13 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.939 0.081 19694 5701 1 13 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.797 2.923 19694 5702 1 13 . 1 1 21 21 LEU H H 21 8.530 8.530 8.501 0.029 19694 5703 1 13 . 1 1 22 22 ARG N N 22 123.930 123.930 125.396 -1.466 19694 5704 1 13 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.514 -0.074 19694 5705 1 13 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.896 1.704 19694 5706 1 13 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.556 -0.276 19694 5707 1 13 . 1 1 22 22 ARG H H 22 9.080 9.080 8.880 0.200 19694 5708 1 13 . 1 1 23 23 GLU N N 23 128.500 128.500 124.434 4.066 19694 5709 1 13 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.923 -0.083 19694 5710 1 13 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.614 0.416 19694 5711 1 13 . 1 1 23 23 GLU CB C 23 27.200 27.200 28.267 -1.067 19694 5712 1 13 . 1 1 23 23 GLU H H 23 9.610 9.610 9.083 0.527 19694 5713 1 13 . 1 1 24 24 GLU N N 24 110.300 110.300 113.869 -3.569 19694 5714 1 13 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.997 -0.217 19694 5715 1 13 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.479 0.841 19694 5716 1 13 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.674 0.545 19694 5717 1 13 . 1 1 24 24 GLU H H 24 8.660 8.660 8.809 -0.149 19694 5718 1 13 . 1 1 25 25 SER N N 25 117.700 117.700 113.162 4.538 19694 5719 1 13 . 1 1 25 25 SER HA H 25 4.890 4.890 4.777 0.113 19694 5720 1 13 . 1 1 25 25 SER CA C 25 56.540 56.540 55.980 0.560 19694 5721 1 13 . 1 1 25 25 SER CB C 25 64.720 64.720 64.727 -0.007 19694 5722 1 13 . 1 1 25 25 SER H H 25 7.900 7.900 7.729 0.171 19694 5723 1 13 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.863 0.132 19694 5724 1 13 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.071 -1.321 19694 5725 1 13 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.731 0.929 19694 5726 1 13 . 1 1 27 27 TYR N N 27 118.100 118.100 123.626 -5.526 19694 5727 1 13 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.984 0.926 19694 5728 1 13 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.873 1.957 19694 5729 1 13 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.486 0.324 19694 5730 1 13 . 1 1 27 27 TYR H H 27 9.040 9.040 8.679 0.361 19694 5731 1 13 . 1 1 28 28 CYS N N 28 122.230 122.230 119.270 2.960 19694 5732 1 13 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.721 0.129 19694 5733 1 13 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.094 0.016 19694 5734 1 13 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.147 1.383 19694 5735 1 13 . 1 1 28 28 CYS H H 28 9.850 9.850 8.374 1.476 19694 5736 1 13 . 1 1 29 29 VAL N N 29 118.200 118.200 123.253 -5.053 19694 5737 1 13 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.644 0.006 19694 5738 1 13 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.697 0.703 19694 5739 1 13 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.523 0.337 19694 5740 1 13 . 1 1 29 29 VAL H H 29 8.430 8.430 8.947 -0.517 19694 5741 1 13 . 1 1 30 30 VAL N N 30 119.570 119.570 118.800 0.770 19694 5742 1 13 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.538 0.322 19694 5743 1 13 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.049 0.401 19694 5744 1 13 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.181 0.359 19694 5745 1 13 . 1 1 30 30 VAL H H 30 7.700 7.700 8.187 -0.487 19694 5746 1 13 . 1 1 31 31 CYS N N 31 125.890 125.890 119.205 6.685 19694 5747 1 13 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.890 -0.060 19694 5748 1 13 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.283 1.567 19694 5749 1 13 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.497 4.013 19694 5750 1 13 . 1 1 31 31 CYS H H 31 9.050 9.050 7.671 1.379 19694 5751 1 13 . 1 1 32 32 PHE N N 32 119.000 119.000 119.355 -0.355 19694 5752 1 13 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.689 0.091 19694 5753 1 13 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.760 0.850 19694 5754 1 13 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.035 0.885 19694 5755 1 13 . 1 1 32 32 PHE H H 32 9.080 9.080 7.887 1.193 19694 5756 1 13 . 1 1 33 33 GLU N N 33 117.470 117.470 117.998 -0.528 19694 5757 1 13 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.067 -0.307 19694 5758 1 13 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.439 -0.229 19694 5759 1 13 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.209 0.271 19694 5760 1 13 . 1 1 33 33 GLU H H 33 8.510 8.510 8.308 0.202 19694 5761 1 13 . 1 1 34 34 THR N N 34 114.140 114.140 115.295 -1.155 19694 5762 1 13 . 1 1 34 34 THR HA H 34 3.730 3.730 3.974 -0.244 19694 5763 1 13 . 1 1 34 34 THR CA C 34 65.890 65.890 65.526 0.364 19694 5764 1 13 . 1 1 34 34 THR CB C 34 69.210 69.210 68.612 0.598 19694 5765 1 13 . 1 1 34 34 THR H H 34 7.880 7.880 8.341 -0.461 19694 5766 1 13 . 1 1 35 35 LEU N N 35 117.980 117.980 118.804 -0.824 19694 5767 1 13 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.925 -0.275 19694 5768 1 13 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.239 -0.379 19694 5769 1 13 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.751 0.119 19694 5770 1 13 . 1 1 35 35 LEU H H 35 7.660 7.660 7.770 -0.110 19694 5771 1 13 . 1 1 36 36 PHE N N 36 113.900 113.900 113.986 -0.086 19694 5772 1 13 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.428 0.169 19694 5773 1 13 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.361 0.499 19694 5774 1 13 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.230 2.340 19694 5775 1 13 . 1 1 36 36 PHE H H 36 7.730 7.730 6.695 1.035 19694 5776 1 13 . 1 1 37 37 ALA N N 37 121.920 121.920 123.021 -1.101 19694 5777 1 13 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.062 0.008 19694 5778 1 13 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.293 0.607 19694 5779 1 13 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.777 -0.007 19694 5780 1 13 . 1 1 37 37 ALA H H 37 7.090 7.090 7.801 -0.711 19694 5781 1 13 . 1 1 38 38 ASN N N 38 119.230 119.230 119.158 0.072 19694 5782 1 13 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.671 -0.221 19694 5783 1 13 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.521 0.329 19694 5784 1 13 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.146 -1.196 19694 5785 1 13 . 1 1 38 38 ASN H H 38 8.790 8.790 8.356 0.434 19694 5786 1 13 . 1 1 39 39 THR N N 39 116.330 116.330 115.405 0.925 19694 5787 1 13 . 1 1 39 39 THR HA H 39 3.990 3.990 4.424 -0.434 19694 5788 1 13 . 1 1 39 39 THR CA C 39 62.130 62.130 62.544 -0.414 19694 5789 1 13 . 1 1 39 39 THR CB C 39 69.920 69.920 69.885 0.035 19694 5790 1 13 . 1 1 39 39 THR H H 39 8.540 8.540 8.258 0.282 19694 5791 1 13 . 1 1 40 40 CYS N N 40 126.950 126.950 127.929 -0.979 19694 5792 1 13 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.485 -0.185 19694 5793 1 13 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.027 1.323 19694 5794 1 13 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.674 4.926 19694 5795 1 13 . 1 1 40 40 CYS H H 40 7.940 7.940 8.543 -0.603 19694 5796 1 13 . 1 1 41 41 GLU N N 41 130.560 130.560 127.568 2.992 19694 5797 1 13 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.838 -0.148 19694 5798 1 13 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.140 -0.540 19694 5799 1 13 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.414 1.046 19694 5800 1 13 . 1 1 41 41 GLU H H 41 8.810 8.810 8.665 0.145 19694 5801 1 13 . 1 1 42 42 GLU N N 42 119.680 119.680 118.322 1.358 19694 5802 1 13 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.344 0.226 19694 5803 1 13 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.170 -0.170 19694 5804 1 13 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.533 1.147 19694 5805 1 13 . 1 1 42 42 GLU H H 42 8.500 8.500 8.122 0.378 19694 5806 1 13 . 1 1 43 43 CYS N N 43 115.600 115.600 116.359 -0.759 19694 5807 1 13 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.566 0.444 19694 5808 1 13 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.130 -1.320 19694 5809 1 13 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.271 2.309 19694 5810 1 13 . 1 1 43 43 CYS H H 43 8.120 8.120 7.958 0.162 19694 5811 1 13 . 1 1 44 44 GLY N N 44 112.100 112.100 107.880 4.220 19694 5812 1 13 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.243 1.177 19694 5813 1 13 . 1 1 44 44 GLY H H 44 7.900 7.900 8.603 -0.703 19694 5814 1 13 . 1 1 45 45 LYS N N 45 121.210 121.210 121.651 -0.441 19694 5815 1 13 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.648 0.192 19694 5816 1 13 . 1 1 45 45 LYS CA C 45 54.360 54.360 53.094 1.266 19694 5817 1 13 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.946 -0.516 19694 5818 1 13 . 1 1 45 45 LYS H H 45 8.180 8.180 7.866 0.314 19694 5819 1 13 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.517 -0.040 19694 5820 1 13 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.032 -0.332 19694 5821 1 13 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.078 0.412 19694 5822 1 13 . 1 1 47 47 ILE N N 47 125.280 125.280 122.934 2.346 19694 5823 1 13 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.290 -0.460 19694 5824 1 13 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.662 0.378 19694 5825 1 13 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.797 -0.358 19694 5826 1 13 . 1 1 47 47 ILE H H 47 8.540 8.540 8.874 -0.334 19694 5827 1 13 . 1 1 48 48 GLY N N 48 114.120 114.120 113.416 0.704 19694 5828 1 13 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.982 0.258 19694 5829 1 13 . 1 1 48 48 GLY H H 48 8.660 8.660 8.474 0.186 19694 5830 1 13 . 1 1 49 49 CYS N N 49 117.140 117.140 119.702 -2.562 19694 5831 1 13 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.293 -0.013 19694 5832 1 13 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.111 0.769 19694 5833 1 13 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.503 0.147 19694 5834 1 13 . 1 1 49 49 CYS H H 49 9.210 9.210 9.621 -0.411 19694 5835 1 13 . 1 1 50 50 ASP N N 50 119.300 119.300 119.954 -0.654 19694 5836 1 13 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.648 -0.028 19694 5837 1 13 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.618 -0.458 19694 5838 1 13 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.023 0.357 19694 5839 1 13 . 1 1 50 50 ASP H H 50 8.800 8.800 8.334 0.466 19694 5840 1 13 . 1 1 51 51 CYS N N 51 118.150 118.150 116.509 1.641 19694 5841 1 13 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.691 -0.071 19694 5842 1 13 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.816 1.214 19694 5843 1 13 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.591 -1.501 19694 5844 1 13 . 1 1 51 51 CYS H H 51 7.590 7.590 7.348 0.242 19694 5845 1 13 . 1 1 52 52 LYS N N 52 123.800 123.800 122.885 0.915 19694 5846 1 13 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.356 -0.176 19694 5847 1 13 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.070 1.170 19694 5848 1 13 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.124 1.906 19694 5849 1 13 . 1 1 52 52 LYS H H 52 8.600 8.600 8.588 0.012 19694 5850 1 13 . 1 1 53 53 ASP N N 53 124.900 124.900 123.854 1.046 19694 5851 1 13 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.692 -0.462 19694 5852 1 13 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.869 0.261 19694 5853 1 13 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.421 1.809 19694 5854 1 13 . 1 1 53 53 ASP H H 53 8.250 8.250 8.334 -0.084 19694 5855 1 13 . 1 1 54 54 LEU N N 54 130.160 130.160 125.081 5.079 19694 5856 1 13 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.525 -0.085 19694 5857 1 13 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.650 -2.309 19694 5858 1 13 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.162 -1.992 19694 5859 1 13 . 1 1 54 54 LEU H H 54 8.670 8.670 8.798 -0.128 19694 5860 1 13 . 1 1 55 55 SER N N 55 113.820 113.820 121.820 -8.000 19694 5861 1 13 . 1 1 55 55 SER HA H 55 5.580 5.580 5.361 0.219 19694 5862 1 13 . 1 1 55 55 SER CA C 55 55.850 55.850 56.539 -0.689 19694 5863 1 13 . 1 1 55 55 SER CB C 55 67.300 67.300 64.249 3.051 19694 5864 1 13 . 1 1 55 55 SER H H 55 8.160 8.160 8.559 -0.399 19694 5865 1 13 . 1 1 56 56 TYR N N 56 122.610 122.610 125.972 -3.362 19694 5866 1 13 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.613 0.007 19694 5867 1 13 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.617 0.193 19694 5868 1 13 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.413 -1.413 19694 5869 1 13 . 1 1 56 56 TYR H H 56 8.450 8.450 8.593 -0.143 19694 5870 1 13 . 1 1 57 57 LYS N N 57 126.020 126.020 127.019 -0.999 19694 5871 1 13 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.922 -0.452 19694 5872 1 13 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.676 0.424 19694 5873 1 13 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.841 -2.361 19694 5874 1 13 . 1 1 57 57 LYS H H 57 8.920 8.920 8.781 0.139 19694 5875 1 13 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.217 -0.387 19694 5876 1 13 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.376 -0.476 19694 5877 1 13 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.579 -0.499 19694 5878 1 13 . 1 1 58 58 ASP H H 58 8.400 8.400 8.514 -0.114 19694 5879 1 13 . 1 1 59 59 ARG N N 59 121.190 121.190 115.990 5.200 19694 5880 1 13 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.482 -0.232 19694 5881 1 13 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.001 1.579 19694 5882 1 13 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.414 0.046 19694 5883 1 13 . 1 1 59 59 ARG H H 59 7.980 7.980 7.934 0.046 19694 5884 1 13 . 1 1 60 60 HIS N N 60 118.420 118.420 117.794 0.626 19694 5885 1 13 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.635 -0.365 19694 5886 1 13 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.254 -0.244 19694 5887 1 13 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.331 -0.951 19694 5888 1 13 . 1 1 60 60 HIS H H 60 8.350 8.350 8.076 0.274 19694 5889 1 13 . 1 1 61 61 TRP N N 61 119.990 119.990 118.322 1.668 19694 5890 1 13 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.785 1.145 19694 5891 1 13 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.108 0.292 19694 5892 1 13 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.201 1.179 19694 5893 1 13 . 1 1 61 61 TRP H H 61 9.310 9.310 9.303 0.007 19694 5894 1 13 . 1 1 62 62 HIS N N 62 117.270 117.270 121.412 -4.142 19694 5895 1 13 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.817 -0.217 19694 5896 1 13 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.470 1.740 19694 5897 1 13 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.430 0.770 19694 5898 1 13 . 1 1 62 62 HIS H H 62 8.430 8.430 9.135 -0.705 19694 5899 1 13 . 1 1 63 63 GLU N N 63 124.640 124.640 128.571 -3.931 19694 5900 1 13 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.925 -0.098 19694 5901 1 13 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.768 1.252 19694 5902 1 13 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.816 0.494 19694 5903 1 13 . 1 1 63 63 GLU H H 63 9.040 9.040 8.128 0.912 19694 5904 1 13 . 1 1 64 64 ALA N N 64 117.050 117.050 117.530 -0.480 19694 5905 1 13 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.358 -0.128 19694 5906 1 13 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.162 0.838 19694 5907 1 13 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.623 0.257 19694 5908 1 13 . 1 1 64 64 ALA H H 64 8.680 8.680 8.302 0.378 19694 5909 1 13 . 1 1 65 65 CYS N N 65 115.380 115.380 117.203 -1.823 19694 5910 1 13 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.075 0.220 19694 5911 1 13 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.314 -0.464 19694 5912 1 13 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.652 6.188 19694 5913 1 13 . 1 1 65 65 CYS H H 65 7.490 7.490 8.258 -0.768 19694 5914 1 13 . 1 1 66 66 PHE N N 66 122.020 122.020 123.066 -1.046 19694 5915 1 13 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.868 0.022 19694 5916 1 13 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.503 -1.493 19694 5917 1 13 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.194 -0.124 19694 5918 1 13 . 1 1 66 66 PHE H H 66 7.110 7.110 7.541 -0.431 19694 5919 1 13 . 1 1 67 67 HIS N N 67 121.280 121.280 121.985 -0.705 19694 5920 1 13 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.288 -0.568 19694 5921 1 13 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.782 -0.052 19694 5922 1 13 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.806 1.424 19694 5923 1 13 . 1 1 67 67 HIS H H 67 7.380 7.380 7.807 -0.427 19694 5924 1 13 . 1 1 68 68 CYS N N 68 121.590 121.590 118.795 2.795 19694 5925 1 13 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.941 -0.981 19694 5926 1 13 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.874 1.916 19694 5927 1 13 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.325 1.875 19694 5928 1 13 . 1 1 68 68 CYS H H 68 8.530 8.530 8.275 0.255 19694 5929 1 13 . 1 1 69 69 SER N N 69 126.530 126.530 119.965 6.565 19694 5930 1 13 . 1 1 69 69 SER HA H 69 4.310 4.310 4.003 0.307 19694 5931 1 13 . 1 1 69 69 SER CA C 69 61.760 61.760 60.809 0.951 19694 5932 1 13 . 1 1 69 69 SER CB C 69 64.040 64.040 63.109 0.931 19694 5933 1 13 . 1 1 69 69 SER H H 69 9.460 9.460 8.704 0.756 19694 5934 1 13 . 1 1 70 70 GLN N N 70 122.370 122.370 118.460 3.910 19694 5935 1 13 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.453 0.057 19694 5936 1 13 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.386 0.454 19694 5937 1 13 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.545 0.885 19694 5938 1 13 . 1 1 70 70 GLN H H 70 8.980 8.980 7.820 1.160 19694 5939 1 13 . 1 1 71 71 CYS N N 71 118.860 118.860 115.867 2.993 19694 5940 1 13 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.661 0.059 19694 5941 1 13 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.285 1.485 19694 5942 1 13 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.646 4.264 19694 5943 1 13 . 1 1 71 71 CYS H H 71 8.220 8.220 7.729 0.491 19694 5944 1 13 . 1 1 72 72 ARG N N 72 114.380 114.380 115.506 -1.126 19694 5945 1 13 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.821 0.144 19694 5946 1 13 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.194 0.836 19694 5947 1 13 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.330 0.390 19694 5948 1 13 . 1 1 72 72 ARG H H 72 7.380 7.380 7.819 -0.439 19694 5949 1 13 . 1 1 73 73 ASN N N 73 121.480 121.480 116.494 4.986 19694 5950 1 13 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.639 -0.009 19694 5951 1 13 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.752 0.359 19694 5952 1 13 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.599 -0.729 19694 5953 1 13 . 1 1 73 73 ASN H H 73 8.722 8.722 8.025 0.697 19694 5954 1 13 . 1 1 74 74 SER N N 74 114.710 114.710 118.149 -3.439 19694 5955 1 13 . 1 1 74 74 SER HA H 74 4.060 4.060 4.796 -0.736 19694 5956 1 13 . 1 1 74 74 SER CA C 74 59.357 59.357 58.447 0.910 19694 5957 1 13 . 1 1 74 74 SER CB C 74 63.300 63.300 63.024 0.276 19694 5958 1 13 . 1 1 74 74 SER H H 74 8.690 8.690 8.502 0.188 19694 5959 1 13 . 1 1 75 75 LEU N N 75 125.757 125.757 127.518 -1.761 19694 5960 1 13 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.290 -0.010 19694 5961 1 13 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.793 -1.283 19694 5962 1 13 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.778 0.422 19694 5963 1 13 . 1 1 75 75 LEU H H 75 7.970 7.970 8.129 -0.159 19694 5964 1 13 . 1 1 76 76 VAL N N 76 120.860 120.860 124.777 -3.917 19694 5965 1 13 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.827 -0.257 19694 5966 1 13 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.874 4.546 19694 5967 1 13 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.738 -3.198 19694 5968 1 13 . 1 1 76 76 VAL H H 76 7.830 7.830 7.986 -0.156 19694 5969 1 13 . 1 1 77 77 ASP N N 77 122.360 122.360 124.177 -1.817 19694 5970 1 13 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.458 -0.228 19694 5971 1 13 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.866 0.334 19694 5972 1 13 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.919 -1.539 19694 5973 1 13 . 1 1 77 77 ASP H H 77 8.910 8.910 8.305 0.605 19694 5974 1 13 . 1 1 78 78 LYS N N 78 118.100 118.100 118.243 -0.143 19694 5975 1 13 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.643 0.227 19694 5976 1 13 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.767 3.193 19694 5977 1 13 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.579 1.101 19694 5978 1 13 . 1 1 78 78 LYS H H 78 7.660 7.660 7.593 0.067 19694 5979 1 13 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.181 0.279 19694 5980 1 13 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.920 -0.401 19694 5981 1 13 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.869 0.291 19694 5982 1 13 . 1 1 80 80 PHE N N 80 114.050 114.050 117.510 -3.460 19694 5983 1 13 . 1 1 80 80 PHE HA H 80 4.910 4.910 4.996 -0.086 19694 5984 1 13 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.421 0.639 19694 5985 1 13 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.300 1.110 19694 5986 1 13 . 1 1 80 80 PHE H H 80 7.510 7.510 7.343 0.167 19694 5987 1 13 . 1 1 81 81 ALA N N 81 123.290 123.290 123.813 -0.523 19694 5988 1 13 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.405 -0.095 19694 5989 1 13 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.419 0.032 19694 5990 1 13 . 1 1 81 81 ALA CB C 81 21.920 21.920 19.053 2.866 19694 5991 1 13 . 1 1 81 81 ALA H H 81 9.030 9.030 9.050 -0.020 19694 5992 1 13 . 1 1 82 82 ALA N N 82 122.490 122.490 129.287 -6.797 19694 5993 1 13 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.393 0.717 19694 5994 1 13 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.689 -0.589 19694 5995 1 13 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.800 2.330 19694 5996 1 13 . 1 1 82 82 ALA H H 82 8.240 8.240 8.668 -0.428 19694 5997 1 13 . 1 1 83 83 LYS N N 83 123.580 123.580 125.928 -2.348 19694 5998 1 13 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.497 -0.007 19694 5999 1 13 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.270 0.530 19694 6000 1 13 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.131 0.589 19694 6001 1 13 . 1 1 83 83 LYS H H 83 8.400 8.400 8.287 0.113 19694 6002 1 13 . 1 1 84 84 GLU N N 84 125.470 125.470 120.350 5.120 19694 6003 1 13 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.121 -0.301 19694 6004 1 13 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.966 -0.346 19694 6005 1 13 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.726 -2.516 19694 6006 1 13 . 1 1 84 84 GLU H H 84 9.320 9.320 8.794 0.526 19694 6007 1 13 . 1 1 85 85 ASP N N 85 118.550 118.550 114.452 4.098 19694 6008 1 13 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.794 -0.194 19694 6009 1 13 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.926 1.474 19694 6010 1 13 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.175 -1.775 19694 6011 1 13 . 1 1 85 85 ASP H H 85 8.730 8.730 8.361 0.369 19694 6012 1 13 . 1 1 86 86 GLN N N 86 119.050 119.050 117.444 1.606 19694 6013 1 13 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.698 -0.158 19694 6014 1 13 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.043 1.057 19694 6015 1 13 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.042 -0.932 19694 6016 1 13 . 1 1 86 86 GLN H H 86 8.170 8.170 7.586 0.584 19694 6017 1 13 . 1 1 87 87 LEU N N 87 123.110 123.110 121.341 1.769 19694 6018 1 13 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.220 -0.600 19694 6019 1 13 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.001 0.519 19694 6020 1 13 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.592 -1.892 19694 6021 1 13 . 1 1 87 87 LEU H H 87 8.490 8.490 8.518 -0.028 19694 6022 1 13 . 1 1 88 88 LEU N N 88 123.690 123.690 120.179 3.511 19694 6023 1 13 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.948 0.932 19694 6024 1 13 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.814 0.526 19694 6025 1 13 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.805 -0.615 19694 6026 1 13 . 1 1 88 88 LEU H H 88 8.930 8.930 8.367 0.563 19694 6027 1 13 . 1 1 89 89 CYS N N 89 122.270 122.270 118.548 3.722 19694 6028 1 13 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.775 0.005 19694 6029 1 13 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.087 -1.447 19694 6030 1 13 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.676 3.264 19694 6031 1 13 . 1 1 89 89 CYS H H 89 9.430 9.430 9.105 0.325 19694 6032 1 13 . 1 1 90 90 THR N N 90 110.620 110.620 116.858 -6.238 19694 6033 1 13 . 1 1 90 90 THR HA H 90 3.900 3.900 3.990 -0.090 19694 6034 1 13 . 1 1 90 90 THR CA C 90 65.460 65.460 66.001 -0.541 19694 6035 1 13 . 1 1 90 90 THR CB C 90 68.670 68.670 68.982 -0.312 19694 6036 1 13 . 1 1 90 90 THR H H 90 8.410 8.410 9.072 -0.662 19694 6037 1 13 . 1 1 91 91 ASP N N 91 123.470 123.470 121.758 1.712 19694 6038 1 13 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.635 -0.145 19694 6039 1 13 . 1 1 91 91 ASP CA C 91 57.810 57.810 56.868 0.942 19694 6040 1 13 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.228 0.932 19694 6041 1 13 . 1 1 91 91 ASP H H 91 8.150 8.150 8.402 -0.252 19694 6042 1 13 . 1 1 92 92 CYS N N 92 123.800 123.800 119.192 4.608 19694 6043 1 13 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.241 -0.271 19694 6044 1 13 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.313 2.787 19694 6045 1 13 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.720 4.370 19694 6046 1 13 . 1 1 92 92 CYS H H 92 8.580 8.580 7.470 1.110 19694 6047 1 13 . 1 1 93 93 TYR N N 93 120.730 120.730 120.763 -0.033 19694 6048 1 13 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.067 0.073 19694 6049 1 13 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.113 -0.733 19694 6050 1 13 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.220 1.080 19694 6051 1 13 . 1 1 93 93 TYR H H 93 8.540 8.540 9.144 -0.604 19694 6052 1 13 . 1 1 94 94 SER N N 94 115.010 115.010 113.517 1.493 19694 6053 1 13 . 1 1 94 94 SER HA H 94 4.220 4.220 4.060 0.160 19694 6054 1 13 . 1 1 94 94 SER CA C 94 59.300 59.300 61.477 -2.176 19694 6055 1 13 . 1 1 94 94 SER CB C 94 63.660 63.660 62.737 0.923 19694 6056 1 13 . 1 1 94 94 SER H H 94 7.750 7.750 8.130 -0.380 19694 6057 1 13 . 1 1 95 95 ASN N N 95 119.820 119.820 118.430 1.390 19694 6058 1 13 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.589 -0.079 19694 6059 1 13 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.257 -1.377 19694 6060 1 13 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.688 0.612 19694 6061 1 13 . 1 1 95 95 ASN H H 95 7.780 7.780 7.866 -0.086 19694 6062 1 13 . 1 1 96 96 GLU N N 96 119.820 119.820 118.017 1.803 19694 6063 1 13 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.096 -0.000 19694 6064 1 13 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.702 -0.792 19694 6065 1 13 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.978 0.242 19694 6066 1 13 . 1 1 96 96 GLU H H 96 7.950 7.950 8.048 -0.098 19694 6067 1 13 . 1 1 97 97 TYR N N 97 120.370 120.370 120.498 -0.128 19694 6068 1 13 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.192 0.428 19694 6069 1 13 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.419 -1.718 19694 6070 1 13 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.774 -0.064 19694 6071 1 13 . 1 1 97 97 TYR H H 97 8.070 8.070 8.202 -0.132 19694 6072 1 14 . 1 1 2 2 THR N N 2 113.570 113.570 115.970 -2.400 19694 6073 1 14 . 1 1 2 2 THR HA H 2 4.240 4.240 4.332 -0.092 19694 6074 1 14 . 1 1 2 2 THR CA C 2 62.130 62.130 62.523 -0.393 19694 6075 1 14 . 1 1 2 2 THR CB C 2 69.250 69.250 69.268 -0.018 19694 6076 1 14 . 1 1 2 2 THR H H 2 8.090 8.090 8.229 -0.139 19694 6077 1 14 . 1 1 3 3 GLU N N 3 122.880 122.880 121.443 1.437 19694 6078 1 14 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.254 0.026 19694 6079 1 14 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.224 0.636 19694 6080 1 14 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.285 0.285 19694 6081 1 14 . 1 1 3 3 GLU H H 3 8.280 8.280 8.095 0.185 19694 6082 1 14 . 1 1 4 4 ARG N N 4 121.330 121.330 119.833 1.497 19694 6083 1 14 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.552 -0.252 19694 6084 1 14 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.333 0.537 19694 6085 1 14 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.936 0.705 19694 6086 1 14 . 1 1 4 4 ARG H H 4 8.280 8.280 8.554 -0.274 19694 6087 1 14 . 1 1 5 5 PHE N N 5 125.490 125.490 123.881 1.609 19694 6088 1 14 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.650 -0.040 19694 6089 1 14 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.672 -0.292 19694 6090 1 14 . 1 1 5 5 PHE CB C 5 39.560 39.560 40.015 -0.455 19694 6091 1 14 . 1 1 5 5 PHE H H 5 8.290 8.290 8.701 -0.411 19694 6092 1 14 . 1 1 6 6 ASP N N 6 123.260 123.260 121.376 1.884 19694 6093 1 14 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.880 0.165 19694 6094 1 14 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.167 -0.987 19694 6095 1 14 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.311 -0.101 19694 6096 1 14 . 1 1 6 6 ASP H H 6 7.940 7.940 7.593 0.347 19694 6097 1 14 . 1 1 7 7 CYS N N 7 121.440 121.440 122.957 -1.517 19694 6098 1 14 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.506 -0.546 19694 6099 1 14 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.677 0.143 19694 6100 1 14 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.167 4.783 19694 6101 1 14 . 1 1 7 7 CYS H H 7 8.700 8.700 8.516 0.184 19694 6102 1 14 . 1 1 8 8 HIS N N 8 129.390 129.390 129.494 -0.104 19694 6103 1 14 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.223 -0.023 19694 6104 1 14 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.658 -1.418 19694 6105 1 14 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.130 -0.650 19694 6106 1 14 . 1 1 8 8 HIS H H 8 9.160 9.160 9.576 -0.416 19694 6107 1 14 . 1 1 9 9 HIS N N 9 118.740 118.740 116.902 1.838 19694 6108 1 14 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.564 0.316 19694 6109 1 14 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.118 1.562 19694 6110 1 14 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.283 0.757 19694 6111 1 14 . 1 1 9 9 HIS H H 9 9.270 9.270 8.066 1.204 19694 6112 1 14 . 1 1 10 10 CYS N N 10 118.600 118.600 117.517 1.083 19694 6113 1 14 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.434 0.166 19694 6114 1 14 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.216 0.384 19694 6115 1 14 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.988 4.342 19694 6116 1 14 . 1 1 10 10 CYS H H 10 8.550 8.550 7.899 0.651 19694 6117 1 14 . 1 1 11 11 ASN N N 11 116.220 116.220 117.087 -0.867 19694 6118 1 14 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.358 0.052 19694 6119 1 14 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.466 1.174 19694 6120 1 14 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.441 1.759 19694 6121 1 14 . 1 1 11 11 ASN H H 11 7.690 7.690 8.706 -1.016 19694 6122 1 14 . 1 1 12 12 GLU N N 12 120.330 120.330 118.162 2.168 19694 6123 1 14 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.573 -0.353 19694 6124 1 14 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.800 1.899 19694 6125 1 14 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.145 -0.235 19694 6126 1 14 . 1 1 12 12 GLU H H 12 8.210 8.210 7.688 0.522 19694 6127 1 14 . 1 1 13 13 SER N N 13 116.190 116.190 120.062 -3.872 19694 6128 1 14 . 1 1 13 13 SER HA H 13 4.060 4.060 4.390 -0.330 19694 6129 1 14 . 1 1 13 13 SER CA C 13 59.350 59.350 58.963 0.387 19694 6130 1 14 . 1 1 13 13 SER CB C 13 63.820 63.820 63.613 0.207 19694 6131 1 14 . 1 1 13 13 SER H H 13 8.520 8.520 8.618 -0.098 19694 6132 1 14 . 1 1 14 14 LEU N N 14 126.060 126.060 124.983 1.077 19694 6133 1 14 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.338 -0.028 19694 6134 1 14 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.560 -1.460 19694 6135 1 14 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.706 0.494 19694 6136 1 14 . 1 1 14 14 LEU H H 14 8.910 8.910 7.752 1.158 19694 6137 1 14 . 1 1 15 15 PHE N N 15 120.660 120.660 121.308 -0.648 19694 6138 1 14 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.603 -0.123 19694 6139 1 14 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.615 3.785 19694 6140 1 14 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.042 0.088 19694 6141 1 14 . 1 1 15 15 PHE H H 15 7.820 7.820 8.569 -0.749 19694 6142 1 14 . 1 1 16 16 GLY N N 16 114.730 114.730 110.951 3.779 19694 6143 1 14 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.799 0.101 19694 6144 1 14 . 1 1 16 16 GLY H H 16 8.860 8.860 8.807 0.053 19694 6145 1 14 . 1 1 17 17 LYS N N 17 119.580 119.580 119.796 -0.216 19694 6146 1 14 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.467 0.013 19694 6147 1 14 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.529 -0.069 19694 6148 1 14 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.990 1.810 19694 6149 1 14 . 1 1 17 17 LYS H H 17 8.030 8.030 7.250 0.780 19694 6150 1 14 . 1 1 18 18 LYS N N 18 120.330 120.330 121.996 -1.666 19694 6151 1 14 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.332 -0.052 19694 6152 1 14 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.511 -0.711 19694 6153 1 14 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.065 -0.055 19694 6154 1 14 . 1 1 18 18 LYS H H 18 8.190 8.190 8.555 -0.365 19694 6155 1 14 . 1 1 19 19 TYR N N 19 117.500 117.500 114.439 3.061 19694 6156 1 14 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.803 0.437 19694 6157 1 14 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.430 -1.090 19694 6158 1 14 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.261 2.589 19694 6159 1 14 . 1 1 19 19 TYR H H 19 7.610 7.610 7.929 -0.319 19694 6160 1 14 . 1 1 20 20 ILE N N 20 121.430 121.430 121.891 -0.461 19694 6161 1 14 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.237 -0.100 19694 6162 1 14 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.096 -0.087 19694 6163 1 14 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.638 0.932 19694 6164 1 14 . 1 1 20 20 ILE H H 20 9.350 9.350 8.227 1.123 19694 6165 1 14 . 1 1 21 21 LEU N N 21 126.720 126.720 125.977 0.743 19694 6166 1 14 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.755 0.335 19694 6167 1 14 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.929 0.091 19694 6168 1 14 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.837 2.883 19694 6169 1 14 . 1 1 21 21 LEU H H 21 8.530 8.530 8.495 0.035 19694 6170 1 14 . 1 1 22 22 ARG N N 22 123.930 123.930 126.111 -2.181 19694 6171 1 14 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.498 -0.058 19694 6172 1 14 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.117 1.483 19694 6173 1 14 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.564 -0.284 19694 6174 1 14 . 1 1 22 22 ARG H H 22 9.080 9.080 8.842 0.238 19694 6175 1 14 . 1 1 23 23 GLU N N 23 128.500 128.500 124.773 3.727 19694 6176 1 14 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.970 -0.130 19694 6177 1 14 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.891 0.139 19694 6178 1 14 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.799 -0.599 19694 6179 1 14 . 1 1 23 23 GLU H H 23 9.610 9.610 9.034 0.576 19694 6180 1 14 . 1 1 24 24 GLU N N 24 110.300 110.300 113.401 -3.101 19694 6181 1 14 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.951 -0.171 19694 6182 1 14 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.248 1.073 19694 6183 1 14 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.674 0.545 19694 6184 1 14 . 1 1 24 24 GLU H H 24 8.660 8.660 8.701 -0.041 19694 6185 1 14 . 1 1 25 25 SER N N 25 117.700 117.700 113.232 4.468 19694 6186 1 14 . 1 1 25 25 SER HA H 25 4.890 4.890 4.774 0.116 19694 6187 1 14 . 1 1 25 25 SER CA C 25 56.540 56.540 55.493 1.047 19694 6188 1 14 . 1 1 25 25 SER CB C 25 64.720 64.720 65.116 -0.396 19694 6189 1 14 . 1 1 25 25 SER H H 25 7.900 7.900 7.748 0.152 19694 6190 1 14 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.827 0.168 19694 6191 1 14 . 1 1 26 26 PRO CA C 26 61.750 61.750 62.998 -1.248 19694 6192 1 14 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.769 0.891 19694 6193 1 14 . 1 1 27 27 TYR N N 27 118.100 118.100 123.550 -5.450 19694 6194 1 14 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.982 0.928 19694 6195 1 14 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.814 2.016 19694 6196 1 14 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.484 0.326 19694 6197 1 14 . 1 1 27 27 TYR H H 27 9.040 9.040 8.614 0.426 19694 6198 1 14 . 1 1 28 28 CYS N N 28 122.230 122.230 118.997 3.233 19694 6199 1 14 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.661 0.189 19694 6200 1 14 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.492 -0.382 19694 6201 1 14 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.069 1.461 19694 6202 1 14 . 1 1 28 28 CYS H H 28 9.850 9.850 8.342 1.508 19694 6203 1 14 . 1 1 29 29 VAL N N 29 118.200 118.200 122.745 -4.545 19694 6204 1 14 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.763 -0.113 19694 6205 1 14 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.881 0.519 19694 6206 1 14 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.449 0.411 19694 6207 1 14 . 1 1 29 29 VAL H H 29 8.430 8.430 8.925 -0.495 19694 6208 1 14 . 1 1 30 30 VAL N N 30 119.570 119.570 118.847 0.723 19694 6209 1 14 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.601 0.259 19694 6210 1 14 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.618 -0.168 19694 6211 1 14 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.030 0.510 19694 6212 1 14 . 1 1 30 30 VAL H H 30 7.700 7.700 7.874 -0.174 19694 6213 1 14 . 1 1 31 31 CYS N N 31 125.890 125.890 119.308 6.582 19694 6214 1 14 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.892 -0.062 19694 6215 1 14 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.380 1.470 19694 6216 1 14 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.587 3.923 19694 6217 1 14 . 1 1 31 31 CYS H H 31 9.050 9.050 7.602 1.448 19694 6218 1 14 . 1 1 32 32 PHE N N 32 119.000 119.000 119.340 -0.340 19694 6219 1 14 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.669 0.111 19694 6220 1 14 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.703 0.907 19694 6221 1 14 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.045 0.875 19694 6222 1 14 . 1 1 32 32 PHE H H 32 9.080 9.080 7.900 1.180 19694 6223 1 14 . 1 1 33 33 GLU N N 33 117.470 117.470 118.299 -0.829 19694 6224 1 14 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.093 -0.333 19694 6225 1 14 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.428 -0.219 19694 6226 1 14 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.192 0.288 19694 6227 1 14 . 1 1 33 33 GLU H H 33 8.510 8.510 8.308 0.202 19694 6228 1 14 . 1 1 34 34 THR N N 34 114.140 114.140 115.630 -1.490 19694 6229 1 14 . 1 1 34 34 THR HA H 34 3.730 3.730 3.941 -0.211 19694 6230 1 14 . 1 1 34 34 THR CA C 34 65.890 65.890 65.902 -0.012 19694 6231 1 14 . 1 1 34 34 THR CB C 34 69.210 69.210 68.713 0.497 19694 6232 1 14 . 1 1 34 34 THR H H 34 7.880 7.880 8.333 -0.453 19694 6233 1 14 . 1 1 35 35 LEU N N 35 117.980 117.980 118.651 -0.671 19694 6234 1 14 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.953 -0.303 19694 6235 1 14 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.153 -0.292 19694 6236 1 14 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.682 0.188 19694 6237 1 14 . 1 1 35 35 LEU H H 35 7.660 7.660 7.705 -0.045 19694 6238 1 14 . 1 1 36 36 PHE N N 36 113.900 113.900 113.992 -0.092 19694 6239 1 14 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.420 0.177 19694 6240 1 14 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.255 0.605 19694 6241 1 14 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.235 2.335 19694 6242 1 14 . 1 1 36 36 PHE H H 36 7.730 7.730 6.678 1.052 19694 6243 1 14 . 1 1 37 37 ALA N N 37 121.920 121.920 123.037 -1.117 19694 6244 1 14 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.043 0.027 19694 6245 1 14 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.366 0.534 19694 6246 1 14 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.760 0.010 19694 6247 1 14 . 1 1 37 37 ALA H H 37 7.090 7.090 7.794 -0.704 19694 6248 1 14 . 1 1 38 38 ASN N N 38 119.230 119.230 119.056 0.174 19694 6249 1 14 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.659 -0.209 19694 6250 1 14 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.170 0.680 19694 6251 1 14 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.071 -1.121 19694 6252 1 14 . 1 1 38 38 ASN H H 38 8.790 8.790 8.348 0.442 19694 6253 1 14 . 1 1 39 39 THR N N 39 116.330 116.330 115.777 0.553 19694 6254 1 14 . 1 1 39 39 THR HA H 39 3.990 3.990 4.436 -0.446 19694 6255 1 14 . 1 1 39 39 THR CA C 39 62.130 62.130 62.531 -0.401 19694 6256 1 14 . 1 1 39 39 THR CB C 39 69.920 69.920 69.602 0.318 19694 6257 1 14 . 1 1 39 39 THR H H 39 8.540 8.540 8.247 0.293 19694 6258 1 14 . 1 1 40 40 CYS N N 40 126.950 126.950 127.733 -0.783 19694 6259 1 14 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.464 -0.164 19694 6260 1 14 . 1 1 40 40 CYS CA C 40 58.350 58.350 56.835 1.515 19694 6261 1 14 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.746 4.854 19694 6262 1 14 . 1 1 40 40 CYS H H 40 7.940 7.940 8.425 -0.485 19694 6263 1 14 . 1 1 41 41 GLU N N 41 130.560 130.560 127.531 3.029 19694 6264 1 14 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.832 -0.142 19694 6265 1 14 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.133 -0.533 19694 6266 1 14 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.402 1.058 19694 6267 1 14 . 1 1 41 41 GLU H H 41 8.810 8.810 8.653 0.157 19694 6268 1 14 . 1 1 42 42 GLU N N 42 119.680 119.680 117.991 1.689 19694 6269 1 14 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.392 0.178 19694 6270 1 14 . 1 1 42 42 GLU CA C 42 58.000 58.000 57.843 0.157 19694 6271 1 14 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.663 1.017 19694 6272 1 14 . 1 1 42 42 GLU H H 42 8.500 8.500 8.116 0.384 19694 6273 1 14 . 1 1 43 43 CYS N N 43 115.600 115.600 116.792 -1.192 19694 6274 1 14 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.522 0.488 19694 6275 1 14 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.088 -1.278 19694 6276 1 14 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.975 2.605 19694 6277 1 14 . 1 1 43 43 CYS H H 43 8.120 8.120 8.033 0.087 19694 6278 1 14 . 1 1 44 44 GLY N N 44 112.100 112.100 108.041 4.059 19694 6279 1 14 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.474 0.946 19694 6280 1 14 . 1 1 44 44 GLY H H 44 7.900 7.900 8.607 -0.707 19694 6281 1 14 . 1 1 45 45 LYS N N 45 121.210 121.210 121.532 -0.322 19694 6282 1 14 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.675 0.165 19694 6283 1 14 . 1 1 45 45 LYS CA C 45 54.360 54.360 53.048 1.312 19694 6284 1 14 . 1 1 45 45 LYS CB C 45 32.430 32.430 33.081 -0.651 19694 6285 1 14 . 1 1 45 45 LYS H H 45 8.180 8.180 7.902 0.278 19694 6286 1 14 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.518 -0.041 19694 6287 1 14 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.047 -0.346 19694 6288 1 14 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.039 0.451 19694 6289 1 14 . 1 1 47 47 ILE N N 47 125.280 125.280 123.158 2.122 19694 6290 1 14 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.284 -0.454 19694 6291 1 14 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.837 0.203 19694 6292 1 14 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.540 -0.100 19694 6293 1 14 . 1 1 47 47 ILE H H 47 8.540 8.540 8.868 -0.328 19694 6294 1 14 . 1 1 48 48 GLY N N 48 114.120 114.120 113.341 0.779 19694 6295 1 14 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.543 0.697 19694 6296 1 14 . 1 1 48 48 GLY H H 48 8.660 8.660 8.469 0.191 19694 6297 1 14 . 1 1 49 49 CYS N N 49 117.140 117.140 118.699 -1.559 19694 6298 1 14 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.241 0.039 19694 6299 1 14 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.603 0.277 19694 6300 1 14 . 1 1 49 49 CYS CB C 49 27.650 27.650 28.267 -0.617 19694 6301 1 14 . 1 1 49 49 CYS H H 49 9.210 9.210 8.749 0.461 19694 6302 1 14 . 1 1 50 50 ASP N N 50 119.300 119.300 120.552 -1.252 19694 6303 1 14 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.695 -0.075 19694 6304 1 14 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.035 -0.875 19694 6305 1 14 . 1 1 50 50 ASP CB C 50 40.380 40.380 39.767 0.613 19694 6306 1 14 . 1 1 50 50 ASP H H 50 8.800 8.800 8.530 0.270 19694 6307 1 14 . 1 1 51 51 CYS N N 51 118.150 118.150 116.942 1.208 19694 6308 1 14 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.673 -0.053 19694 6309 1 14 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.744 1.286 19694 6310 1 14 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.980 -1.890 19694 6311 1 14 . 1 1 51 51 CYS H H 51 7.590 7.590 7.441 0.149 19694 6312 1 14 . 1 1 52 52 LYS N N 52 123.800 123.800 123.353 0.447 19694 6313 1 14 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.330 -0.150 19694 6314 1 14 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.194 1.046 19694 6315 1 14 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.338 1.692 19694 6316 1 14 . 1 1 52 52 LYS H H 52 8.600 8.600 8.614 -0.014 19694 6317 1 14 . 1 1 53 53 ASP N N 53 124.900 124.900 123.951 0.949 19694 6318 1 14 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.657 -0.427 19694 6319 1 14 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.538 -0.408 19694 6320 1 14 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.718 1.512 19694 6321 1 14 . 1 1 53 53 ASP H H 53 8.250 8.250 8.443 -0.193 19694 6322 1 14 . 1 1 54 54 LEU N N 54 130.160 130.160 125.819 4.341 19694 6323 1 14 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.580 -0.140 19694 6324 1 14 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.303 -1.964 19694 6325 1 14 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.011 -1.841 19694 6326 1 14 . 1 1 54 54 LEU H H 54 8.670 8.670 8.915 -0.245 19694 6327 1 14 . 1 1 55 55 SER N N 55 113.820 113.820 120.497 -6.677 19694 6328 1 14 . 1 1 55 55 SER HA H 55 5.580 5.580 5.204 0.376 19694 6329 1 14 . 1 1 55 55 SER CA C 55 55.850 55.850 56.100 -0.250 19694 6330 1 14 . 1 1 55 55 SER CB C 55 67.300 67.300 64.425 2.875 19694 6331 1 14 . 1 1 55 55 SER H H 55 8.160 8.160 8.492 -0.332 19694 6332 1 14 . 1 1 56 56 TYR N N 56 122.610 122.610 126.445 -3.835 19694 6333 1 14 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.633 -0.013 19694 6334 1 14 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.785 0.025 19694 6335 1 14 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.000 -1.000 19694 6336 1 14 . 1 1 56 56 TYR H H 56 8.450 8.450 8.709 -0.259 19694 6337 1 14 . 1 1 57 57 LYS N N 57 126.020 126.020 127.624 -1.604 19694 6338 1 14 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.925 -0.455 19694 6339 1 14 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.638 0.462 19694 6340 1 14 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.879 -2.399 19694 6341 1 14 . 1 1 57 57 LYS H H 57 8.920 8.920 8.803 0.117 19694 6342 1 14 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.229 -0.399 19694 6343 1 14 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.305 -0.405 19694 6344 1 14 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.529 -0.448 19694 6345 1 14 . 1 1 58 58 ASP H H 58 8.400 8.400 8.562 -0.162 19694 6346 1 14 . 1 1 59 59 ARG N N 59 121.190 121.190 116.164 5.026 19694 6347 1 14 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.530 -0.280 19694 6348 1 14 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.159 1.421 19694 6349 1 14 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.486 -0.026 19694 6350 1 14 . 1 1 59 59 ARG H H 59 7.980 7.980 7.957 0.023 19694 6351 1 14 . 1 1 60 60 HIS N N 60 118.420 118.420 117.751 0.669 19694 6352 1 14 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.670 -0.400 19694 6353 1 14 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.254 -0.244 19694 6354 1 14 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.302 -0.922 19694 6355 1 14 . 1 1 60 60 HIS H H 60 8.350 8.350 8.141 0.209 19694 6356 1 14 . 1 1 61 61 TRP N N 61 119.990 119.990 118.199 1.791 19694 6357 1 14 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.785 1.145 19694 6358 1 14 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.126 0.274 19694 6359 1 14 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.197 1.183 19694 6360 1 14 . 1 1 61 61 TRP H H 61 9.310 9.310 9.236 0.074 19694 6361 1 14 . 1 1 62 62 HIS N N 62 117.270 117.270 121.578 -4.308 19694 6362 1 14 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.820 -0.220 19694 6363 1 14 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.503 1.707 19694 6364 1 14 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.435 0.765 19694 6365 1 14 . 1 1 62 62 HIS H H 62 8.430 8.430 9.143 -0.713 19694 6366 1 14 . 1 1 63 63 GLU N N 63 124.640 124.640 128.287 -3.647 19694 6367 1 14 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.949 -0.122 19694 6368 1 14 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.270 1.750 19694 6369 1 14 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.803 0.507 19694 6370 1 14 . 1 1 63 63 GLU H H 63 9.040 9.040 8.156 0.884 19694 6371 1 14 . 1 1 64 64 ALA N N 64 117.050 117.050 117.828 -0.778 19694 6372 1 14 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.303 -0.073 19694 6373 1 14 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.931 1.069 19694 6374 1 14 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.983 -0.103 19694 6375 1 14 . 1 1 64 64 ALA H H 64 8.680 8.680 8.167 0.513 19694 6376 1 14 . 1 1 65 65 CYS N N 65 115.380 115.380 117.100 -1.720 19694 6377 1 14 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.021 0.274 19694 6378 1 14 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.156 -0.306 19694 6379 1 14 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.919 5.920 19694 6380 1 14 . 1 1 65 65 CYS H H 65 7.490 7.490 8.150 -0.660 19694 6381 1 14 . 1 1 66 66 PHE N N 66 122.020 122.020 123.098 -1.078 19694 6382 1 14 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.919 -0.029 19694 6383 1 14 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.564 -1.554 19694 6384 1 14 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.189 -0.119 19694 6385 1 14 . 1 1 66 66 PHE H H 66 7.110 7.110 7.569 -0.459 19694 6386 1 14 . 1 1 67 67 HIS N N 67 121.280 121.280 122.020 -0.740 19694 6387 1 14 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.284 -0.564 19694 6388 1 14 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.749 -0.019 19694 6389 1 14 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.789 1.441 19694 6390 1 14 . 1 1 67 67 HIS H H 67 7.380 7.380 7.963 -0.583 19694 6391 1 14 . 1 1 68 68 CYS N N 68 121.590 121.590 118.758 2.832 19694 6392 1 14 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.918 -0.958 19694 6393 1 14 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.870 1.920 19694 6394 1 14 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.280 1.920 19694 6395 1 14 . 1 1 68 68 CYS H H 68 8.530 8.530 8.354 0.176 19694 6396 1 14 . 1 1 69 69 SER N N 69 126.530 126.530 120.366 6.164 19694 6397 1 14 . 1 1 69 69 SER HA H 69 4.310 4.310 4.023 0.287 19694 6398 1 14 . 1 1 69 69 SER CA C 69 61.760 61.760 60.763 0.997 19694 6399 1 14 . 1 1 69 69 SER CB C 69 64.040 64.040 63.201 0.839 19694 6400 1 14 . 1 1 69 69 SER H H 69 9.460 9.460 8.725 0.735 19694 6401 1 14 . 1 1 70 70 GLN N N 70 122.370 122.370 117.505 4.865 19694 6402 1 14 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.494 0.016 19694 6403 1 14 . 1 1 70 70 GLN CA C 70 57.840 57.840 56.982 0.858 19694 6404 1 14 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.981 0.449 19694 6405 1 14 . 1 1 70 70 GLN H H 70 8.980 8.980 7.805 1.175 19694 6406 1 14 . 1 1 71 71 CYS N N 71 118.860 118.860 116.926 1.934 19694 6407 1 14 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.691 0.029 19694 6408 1 14 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.263 1.508 19694 6409 1 14 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.944 3.966 19694 6410 1 14 . 1 1 71 71 CYS H H 71 8.220 8.220 7.752 0.468 19694 6411 1 14 . 1 1 72 72 ARG N N 72 114.380 114.380 115.752 -1.372 19694 6412 1 14 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.849 0.116 19694 6413 1 14 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.251 0.779 19694 6414 1 14 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.661 0.059 19694 6415 1 14 . 1 1 72 72 ARG H H 72 7.380 7.380 7.794 -0.414 19694 6416 1 14 . 1 1 73 73 ASN N N 73 121.480 121.480 116.310 5.170 19694 6417 1 14 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.664 -0.034 19694 6418 1 14 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.844 0.266 19694 6419 1 14 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.720 -0.850 19694 6420 1 14 . 1 1 73 73 ASN H H 73 8.722 8.722 8.035 0.687 19694 6421 1 14 . 1 1 74 74 SER N N 74 114.710 114.710 117.682 -2.972 19694 6422 1 14 . 1 1 74 74 SER HA H 74 4.060 4.060 4.883 -0.823 19694 6423 1 14 . 1 1 74 74 SER CA C 74 59.357 59.357 58.373 0.984 19694 6424 1 14 . 1 1 74 74 SER CB C 74 63.300 63.300 63.224 0.076 19694 6425 1 14 . 1 1 74 74 SER H H 74 8.690 8.690 8.513 0.177 19694 6426 1 14 . 1 1 75 75 LEU N N 75 125.757 125.757 128.506 -2.749 19694 6427 1 14 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.275 0.005 19694 6428 1 14 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.753 -1.243 19694 6429 1 14 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.700 0.500 19694 6430 1 14 . 1 1 75 75 LEU H H 75 7.970 7.970 8.061 -0.091 19694 6431 1 14 . 1 1 76 76 VAL N N 76 120.860 120.860 124.536 -3.676 19694 6432 1 14 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.850 -0.280 19694 6433 1 14 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.876 4.544 19694 6434 1 14 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.173 -3.633 19694 6435 1 14 . 1 1 76 76 VAL H H 76 7.830 7.830 7.978 -0.148 19694 6436 1 14 . 1 1 77 77 ASP N N 77 122.360 122.360 123.444 -1.084 19694 6437 1 14 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.459 -0.229 19694 6438 1 14 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.853 0.347 19694 6439 1 14 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.956 -1.576 19694 6440 1 14 . 1 1 77 77 ASP H H 77 8.910 8.910 8.388 0.522 19694 6441 1 14 . 1 1 78 78 LYS N N 78 118.100 118.100 118.363 -0.263 19694 6442 1 14 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.639 0.231 19694 6443 1 14 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.640 3.320 19694 6444 1 14 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.789 0.890 19694 6445 1 14 . 1 1 78 78 LYS H H 78 7.660 7.660 7.605 0.055 19694 6446 1 14 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.214 0.246 19694 6447 1 14 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.956 -0.436 19694 6448 1 14 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.869 0.291 19694 6449 1 14 . 1 1 80 80 PHE N N 80 114.050 114.050 117.007 -2.957 19694 6450 1 14 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.089 -0.179 19694 6451 1 14 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.054 1.006 19694 6452 1 14 . 1 1 80 80 PHE CB C 80 42.410 42.410 42.025 0.385 19694 6453 1 14 . 1 1 80 80 PHE H H 80 7.510 7.510 7.184 0.326 19694 6454 1 14 . 1 1 81 81 ALA N N 81 123.290 123.290 123.856 -0.566 19694 6455 1 14 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.352 -0.042 19694 6456 1 14 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.360 0.090 19694 6457 1 14 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.969 2.951 19694 6458 1 14 . 1 1 81 81 ALA H H 81 9.030 9.030 9.019 0.011 19694 6459 1 14 . 1 1 82 82 ALA N N 82 122.490 122.490 128.706 -6.216 19694 6460 1 14 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.392 0.718 19694 6461 1 14 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.929 -0.829 19694 6462 1 14 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.830 2.300 19694 6463 1 14 . 1 1 82 82 ALA H H 82 8.240 8.240 8.600 -0.360 19694 6464 1 14 . 1 1 83 83 LYS N N 83 123.580 123.580 126.004 -2.424 19694 6465 1 14 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.501 -0.011 19694 6466 1 14 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.383 0.417 19694 6467 1 14 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.101 0.619 19694 6468 1 14 . 1 1 83 83 LYS H H 83 8.400 8.400 8.279 0.121 19694 6469 1 14 . 1 1 84 84 GLU N N 84 125.470 125.470 120.367 5.103 19694 6470 1 14 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.125 -0.305 19694 6471 1 14 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.977 -0.357 19694 6472 1 14 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.722 -2.512 19694 6473 1 14 . 1 1 84 84 GLU H H 84 9.320 9.320 8.792 0.528 19694 6474 1 14 . 1 1 85 85 ASP N N 85 118.550 118.550 114.413 4.137 19694 6475 1 14 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.796 -0.196 19694 6476 1 14 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.869 1.531 19694 6477 1 14 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.092 -1.692 19694 6478 1 14 . 1 1 85 85 ASP H H 85 8.730 8.730 8.374 0.356 19694 6479 1 14 . 1 1 86 86 GLN N N 86 119.050 119.050 117.291 1.759 19694 6480 1 14 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.691 -0.151 19694 6481 1 14 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.950 1.150 19694 6482 1 14 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.895 -0.785 19694 6483 1 14 . 1 1 86 86 GLN H H 86 8.170 8.170 7.591 0.579 19694 6484 1 14 . 1 1 87 87 LEU N N 87 123.110 123.110 121.359 1.751 19694 6485 1 14 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.194 -0.574 19694 6486 1 14 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.012 0.508 19694 6487 1 14 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.557 -1.857 19694 6488 1 14 . 1 1 87 87 LEU H H 87 8.490 8.490 8.508 -0.018 19694 6489 1 14 . 1 1 88 88 LEU N N 88 123.690 123.690 120.192 3.498 19694 6490 1 14 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.945 0.935 19694 6491 1 14 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.813 0.527 19694 6492 1 14 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.802 -0.612 19694 6493 1 14 . 1 1 88 88 LEU H H 88 8.930 8.930 8.423 0.507 19694 6494 1 14 . 1 1 89 89 CYS N N 89 122.270 122.270 119.233 3.037 19694 6495 1 14 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.760 0.020 19694 6496 1 14 . 1 1 89 89 CYS CA C 89 57.640 57.640 58.942 -1.302 19694 6497 1 14 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.811 3.129 19694 6498 1 14 . 1 1 89 89 CYS H H 89 9.430 9.430 9.059 0.371 19694 6499 1 14 . 1 1 90 90 THR N N 90 110.620 110.620 117.415 -6.795 19694 6500 1 14 . 1 1 90 90 THR HA H 90 3.900 3.900 3.957 -0.057 19694 6501 1 14 . 1 1 90 90 THR CA C 90 65.460 65.460 66.271 -0.811 19694 6502 1 14 . 1 1 90 90 THR CB C 90 68.670 68.670 68.776 -0.106 19694 6503 1 14 . 1 1 90 90 THR H H 90 8.410 8.410 9.043 -0.633 19694 6504 1 14 . 1 1 91 91 ASP N N 91 123.470 123.470 121.664 1.806 19694 6505 1 14 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.643 -0.153 19694 6506 1 14 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.271 0.539 19694 6507 1 14 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.507 0.653 19694 6508 1 14 . 1 1 91 91 ASP H H 91 8.150 8.150 8.482 -0.332 19694 6509 1 14 . 1 1 92 92 CYS N N 92 123.800 123.800 119.717 4.083 19694 6510 1 14 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.356 -0.386 19694 6511 1 14 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.510 2.590 19694 6512 1 14 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.227 3.863 19694 6513 1 14 . 1 1 92 92 CYS H H 92 8.580 8.580 7.871 0.709 19694 6514 1 14 . 1 1 93 93 TYR N N 93 120.730 120.730 120.847 -0.117 19694 6515 1 14 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.095 0.045 19694 6516 1 14 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.329 -0.949 19694 6517 1 14 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.386 0.914 19694 6518 1 14 . 1 1 93 93 TYR H H 93 8.540 8.540 9.168 -0.628 19694 6519 1 14 . 1 1 94 94 SER N N 94 115.010 115.010 113.193 1.817 19694 6520 1 14 . 1 1 94 94 SER HA H 94 4.220 4.220 4.231 -0.011 19694 6521 1 14 . 1 1 94 94 SER CA C 94 59.300 59.300 61.095 -1.795 19694 6522 1 14 . 1 1 94 94 SER CB C 94 63.660 63.660 62.565 1.095 19694 6523 1 14 . 1 1 94 94 SER H H 94 7.750 7.750 8.106 -0.356 19694 6524 1 14 . 1 1 95 95 ASN N N 95 119.820 119.820 118.908 0.912 19694 6525 1 14 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.606 -0.096 19694 6526 1 14 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.191 -1.311 19694 6527 1 14 . 1 1 95 95 ASN CB C 95 39.300 39.300 39.178 0.122 19694 6528 1 14 . 1 1 95 95 ASN H H 95 7.780 7.780 7.897 -0.117 19694 6529 1 14 . 1 1 96 96 GLU N N 96 119.820 119.820 116.905 2.915 19694 6530 1 14 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.210 -0.114 19694 6531 1 14 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.604 -0.694 19694 6532 1 14 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.442 0.778 19694 6533 1 14 . 1 1 96 96 GLU H H 96 7.950 7.950 7.572 0.378 19694 6534 1 14 . 1 1 97 97 TYR N N 97 120.370 120.370 121.459 -1.089 19694 6535 1 14 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.970 0.650 19694 6536 1 14 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.050 -2.350 19694 6537 1 14 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.432 0.278 19694 6538 1 14 . 1 1 97 97 TYR H H 97 8.070 8.070 8.456 -0.386 19694 6539 1 15 . 1 1 2 2 THR N N 2 113.570 113.570 116.159 -2.589 19694 6540 1 15 . 1 1 2 2 THR HA H 2 4.240 4.240 4.307 -0.067 19694 6541 1 15 . 1 1 2 2 THR CA C 2 62.130 62.130 62.666 -0.536 19694 6542 1 15 . 1 1 2 2 THR CB C 2 69.250 69.250 69.287 -0.037 19694 6543 1 15 . 1 1 2 2 THR H H 2 8.090 8.090 8.071 0.019 19694 6544 1 15 . 1 1 3 3 GLU N N 3 122.880 122.880 120.556 2.324 19694 6545 1 15 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.238 0.042 19694 6546 1 15 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.365 0.495 19694 6547 1 15 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.282 0.288 19694 6548 1 15 . 1 1 3 3 GLU H H 3 8.280 8.280 8.049 0.231 19694 6549 1 15 . 1 1 4 4 ARG N N 4 121.330 121.330 119.541 1.789 19694 6550 1 15 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.557 -0.257 19694 6551 1 15 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.154 0.716 19694 6552 1 15 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.710 0.930 19694 6553 1 15 . 1 1 4 4 ARG H H 4 8.280 8.280 8.549 -0.269 19694 6554 1 15 . 1 1 5 5 PHE N N 5 125.490 125.490 124.720 0.770 19694 6555 1 15 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.622 -0.012 19694 6556 1 15 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.556 -0.176 19694 6557 1 15 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.757 -0.197 19694 6558 1 15 . 1 1 5 5 PHE H H 5 8.290 8.290 8.756 -0.466 19694 6559 1 15 . 1 1 6 6 ASP N N 6 123.260 123.260 121.402 1.858 19694 6560 1 15 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.810 0.235 19694 6561 1 15 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.222 -1.042 19694 6562 1 15 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.417 -0.207 19694 6563 1 15 . 1 1 6 6 ASP H H 6 7.940 7.940 7.639 0.301 19694 6564 1 15 . 1 1 7 7 CYS N N 7 121.440 121.440 122.877 -1.437 19694 6565 1 15 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.455 -0.495 19694 6566 1 15 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.603 0.217 19694 6567 1 15 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.244 4.705 19694 6568 1 15 . 1 1 7 7 CYS H H 7 8.700 8.700 8.617 0.083 19694 6569 1 15 . 1 1 8 8 HIS N N 8 129.390 129.390 129.785 -0.395 19694 6570 1 15 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.208 -0.008 19694 6571 1 15 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.390 -1.150 19694 6572 1 15 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.145 -0.665 19694 6573 1 15 . 1 1 8 8 HIS H H 8 9.160 9.160 9.651 -0.491 19694 6574 1 15 . 1 1 9 9 HIS N N 9 118.740 118.740 117.433 1.307 19694 6575 1 15 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.354 0.526 19694 6576 1 15 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.296 1.384 19694 6577 1 15 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.131 0.909 19694 6578 1 15 . 1 1 9 9 HIS H H 9 9.270 9.270 8.026 1.244 19694 6579 1 15 . 1 1 10 10 CYS N N 10 118.600 118.600 118.512 0.088 19694 6580 1 15 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.301 0.299 19694 6581 1 15 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.497 0.103 19694 6582 1 15 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.092 4.238 19694 6583 1 15 . 1 1 10 10 CYS H H 10 8.550 8.550 8.011 0.539 19694 6584 1 15 . 1 1 11 11 ASN N N 11 116.220 116.220 116.932 -0.712 19694 6585 1 15 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.450 -0.040 19694 6586 1 15 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.378 1.262 19694 6587 1 15 . 1 1 11 11 ASN CB C 11 38.200 38.200 35.806 2.394 19694 6588 1 15 . 1 1 11 11 ASN H H 11 7.690 7.690 8.847 -1.157 19694 6589 1 15 . 1 1 12 12 GLU N N 12 120.330 120.330 117.720 2.610 19694 6590 1 15 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.478 -0.258 19694 6591 1 15 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.760 1.940 19694 6592 1 15 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.924 -0.014 19694 6593 1 15 . 1 1 12 12 GLU H H 12 8.210 8.210 7.723 0.487 19694 6594 1 15 . 1 1 13 13 SER N N 13 116.190 116.190 120.028 -3.838 19694 6595 1 15 . 1 1 13 13 SER HA H 13 4.060 4.060 4.355 -0.295 19694 6596 1 15 . 1 1 13 13 SER CA C 13 59.350 59.350 59.021 0.329 19694 6597 1 15 . 1 1 13 13 SER CB C 13 63.820 63.820 63.531 0.289 19694 6598 1 15 . 1 1 13 13 SER H H 13 8.520 8.520 8.673 -0.153 19694 6599 1 15 . 1 1 14 14 LEU N N 14 126.060 126.060 126.808 -0.748 19694 6600 1 15 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.330 -0.020 19694 6601 1 15 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.765 -1.665 19694 6602 1 15 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.353 0.847 19694 6603 1 15 . 1 1 14 14 LEU H H 14 8.910 8.910 7.723 1.187 19694 6604 1 15 . 1 1 15 15 PHE N N 15 120.660 120.660 121.093 -0.433 19694 6605 1 15 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.622 -0.142 19694 6606 1 15 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.333 4.067 19694 6607 1 15 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.990 0.140 19694 6608 1 15 . 1 1 15 15 PHE H H 15 7.820 7.820 8.637 -0.817 19694 6609 1 15 . 1 1 16 16 GLY N N 16 114.730 114.730 110.938 3.792 19694 6610 1 15 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.812 0.088 19694 6611 1 15 . 1 1 16 16 GLY H H 16 8.860 8.860 8.800 0.060 19694 6612 1 15 . 1 1 17 17 LYS N N 17 119.580 119.580 119.774 -0.194 19694 6613 1 15 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.461 0.019 19694 6614 1 15 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.522 -0.062 19694 6615 1 15 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.950 1.850 19694 6616 1 15 . 1 1 17 17 LYS H H 17 8.030 8.030 7.241 0.789 19694 6617 1 15 . 1 1 18 18 LYS N N 18 120.330 120.330 121.576 -1.246 19694 6618 1 15 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.345 -0.065 19694 6619 1 15 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.350 -0.550 19694 6620 1 15 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.023 -0.013 19694 6621 1 15 . 1 1 18 18 LYS H H 18 8.190 8.190 8.570 -0.380 19694 6622 1 15 . 1 1 19 19 TYR N N 19 117.500 117.500 114.195 3.305 19694 6623 1 15 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.799 0.441 19694 6624 1 15 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.381 -1.041 19694 6625 1 15 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.222 2.628 19694 6626 1 15 . 1 1 19 19 TYR H H 19 7.610 7.610 7.926 -0.316 19694 6627 1 15 . 1 1 20 20 ILE N N 20 121.430 121.430 121.838 -0.408 19694 6628 1 15 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.248 -0.111 19694 6629 1 15 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.109 -0.099 19694 6630 1 15 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.621 0.949 19694 6631 1 15 . 1 1 20 20 ILE H H 20 9.350 9.350 8.225 1.125 19694 6632 1 15 . 1 1 21 21 LEU N N 21 126.720 126.720 126.064 0.656 19694 6633 1 15 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.767 0.323 19694 6634 1 15 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.949 0.071 19694 6635 1 15 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.819 2.901 19694 6636 1 15 . 1 1 21 21 LEU H H 21 8.530 8.530 8.502 0.028 19694 6637 1 15 . 1 1 22 22 ARG N N 22 123.930 123.930 125.306 -1.376 19694 6638 1 15 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.554 -0.114 19694 6639 1 15 . 1 1 22 22 ARG CA C 22 55.600 55.600 53.755 1.845 19694 6640 1 15 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.820 -0.540 19694 6641 1 15 . 1 1 22 22 ARG H H 22 9.080 9.080 8.893 0.187 19694 6642 1 15 . 1 1 23 23 GLU N N 23 128.500 128.500 124.900 3.600 19694 6643 1 15 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.991 -0.151 19694 6644 1 15 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.692 0.338 19694 6645 1 15 . 1 1 23 23 GLU CB C 23 27.200 27.200 28.210 -1.010 19694 6646 1 15 . 1 1 23 23 GLU H H 23 9.610 9.610 9.041 0.569 19694 6647 1 15 . 1 1 24 24 GLU N N 24 110.300 110.300 113.183 -2.883 19694 6648 1 15 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.982 -0.202 19694 6649 1 15 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.286 1.034 19694 6650 1 15 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.155 0.065 19694 6651 1 15 . 1 1 24 24 GLU H H 24 8.660 8.660 8.583 0.077 19694 6652 1 15 . 1 1 25 25 SER N N 25 117.700 117.700 112.829 4.871 19694 6653 1 15 . 1 1 25 25 SER HA H 25 4.890 4.890 4.778 0.112 19694 6654 1 15 . 1 1 25 25 SER CA C 25 56.540 56.540 56.274 0.266 19694 6655 1 15 . 1 1 25 25 SER CB C 25 64.720 64.720 65.178 -0.458 19694 6656 1 15 . 1 1 25 25 SER H H 25 7.900 7.900 7.911 -0.011 19694 6657 1 15 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.875 0.120 19694 6658 1 15 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.108 -1.358 19694 6659 1 15 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.572 1.088 19694 6660 1 15 . 1 1 27 27 TYR N N 27 118.100 118.100 123.654 -5.554 19694 6661 1 15 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.983 0.927 19694 6662 1 15 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.910 1.920 19694 6663 1 15 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.514 0.296 19694 6664 1 15 . 1 1 27 27 TYR H H 27 9.040 9.040 8.721 0.319 19694 6665 1 15 . 1 1 28 28 CYS N N 28 122.230 122.230 119.469 2.761 19694 6666 1 15 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.687 0.163 19694 6667 1 15 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.356 -0.246 19694 6668 1 15 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.227 1.303 19694 6669 1 15 . 1 1 28 28 CYS H H 28 9.850 9.850 8.362 1.488 19694 6670 1 15 . 1 1 29 29 VAL N N 29 118.200 118.200 122.116 -3.916 19694 6671 1 15 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.810 -0.160 19694 6672 1 15 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.591 0.809 19694 6673 1 15 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.047 0.813 19694 6674 1 15 . 1 1 29 29 VAL H H 29 8.430 8.430 8.996 -0.566 19694 6675 1 15 . 1 1 30 30 VAL N N 30 119.570 119.570 118.421 1.149 19694 6676 1 15 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.639 0.221 19694 6677 1 15 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.187 0.263 19694 6678 1 15 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.444 1.096 19694 6679 1 15 . 1 1 30 30 VAL H H 30 7.700 7.700 7.978 -0.278 19694 6680 1 15 . 1 1 31 31 CYS N N 31 125.890 125.890 119.590 6.300 19694 6681 1 15 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.906 -0.076 19694 6682 1 15 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.337 1.513 19694 6683 1 15 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.518 3.992 19694 6684 1 15 . 1 1 31 31 CYS H H 31 9.050 9.050 7.656 1.394 19694 6685 1 15 . 1 1 32 32 PHE N N 32 119.000 119.000 119.393 -0.393 19694 6686 1 15 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.702 0.078 19694 6687 1 15 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.770 0.840 19694 6688 1 15 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.040 0.880 19694 6689 1 15 . 1 1 32 32 PHE H H 32 9.080 9.080 7.897 1.183 19694 6690 1 15 . 1 1 33 33 GLU N N 33 117.470 117.470 118.336 -0.866 19694 6691 1 15 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.055 -0.295 19694 6692 1 15 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.486 -0.276 19694 6693 1 15 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.210 0.270 19694 6694 1 15 . 1 1 33 33 GLU H H 33 8.510 8.510 8.487 0.023 19694 6695 1 15 . 1 1 34 34 THR N N 34 114.140 114.140 116.271 -2.131 19694 6696 1 15 . 1 1 34 34 THR HA H 34 3.730 3.730 3.911 -0.181 19694 6697 1 15 . 1 1 34 34 THR CA C 34 65.890 65.890 66.284 -0.394 19694 6698 1 15 . 1 1 34 34 THR CB C 34 69.210 69.210 68.722 0.488 19694 6699 1 15 . 1 1 34 34 THR H H 34 7.880 7.880 8.344 -0.464 19694 6700 1 15 . 1 1 35 35 LEU N N 35 117.980 117.980 118.637 -0.657 19694 6701 1 15 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.966 -0.316 19694 6702 1 15 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.205 -0.345 19694 6703 1 15 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.768 0.102 19694 6704 1 15 . 1 1 35 35 LEU H H 35 7.660 7.660 7.775 -0.115 19694 6705 1 15 . 1 1 36 36 PHE N N 36 113.900 113.900 113.929 -0.029 19694 6706 1 15 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.434 0.163 19694 6707 1 15 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.333 0.527 19694 6708 1 15 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.229 2.341 19694 6709 1 15 . 1 1 36 36 PHE H H 36 7.730 7.730 6.700 1.030 19694 6710 1 15 . 1 1 37 37 ALA N N 37 121.920 121.920 123.339 -1.419 19694 6711 1 15 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.068 0.002 19694 6712 1 15 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.529 0.372 19694 6713 1 15 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.625 0.145 19694 6714 1 15 . 1 1 37 37 ALA H H 37 7.090 7.090 7.899 -0.809 19694 6715 1 15 . 1 1 38 38 ASN N N 38 119.230 119.230 119.350 -0.120 19694 6716 1 15 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.703 -0.253 19694 6717 1 15 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.469 0.381 19694 6718 1 15 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.238 -1.288 19694 6719 1 15 . 1 1 38 38 ASN H H 38 8.790 8.790 8.289 0.501 19694 6720 1 15 . 1 1 39 39 THR N N 39 116.330 116.330 115.673 0.657 19694 6721 1 15 . 1 1 39 39 THR HA H 39 3.990 3.990 4.297 -0.307 19694 6722 1 15 . 1 1 39 39 THR CA C 39 62.130 62.130 62.590 -0.460 19694 6723 1 15 . 1 1 39 39 THR CB C 39 69.920 69.920 69.760 0.160 19694 6724 1 15 . 1 1 39 39 THR H H 39 8.540 8.540 8.280 0.260 19694 6725 1 15 . 1 1 40 40 CYS N N 40 126.950 126.950 128.258 -1.308 19694 6726 1 15 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.439 -0.139 19694 6727 1 15 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.216 1.134 19694 6728 1 15 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.593 5.007 19694 6729 1 15 . 1 1 40 40 CYS H H 40 7.940 7.940 8.550 -0.610 19694 6730 1 15 . 1 1 41 41 GLU N N 41 130.560 130.560 127.601 2.959 19694 6731 1 15 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.840 -0.150 19694 6732 1 15 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.124 -0.524 19694 6733 1 15 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.420 1.040 19694 6734 1 15 . 1 1 41 41 GLU H H 41 8.810 8.810 8.672 0.138 19694 6735 1 15 . 1 1 42 42 GLU N N 42 119.680 119.680 118.293 1.387 19694 6736 1 15 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.338 0.232 19694 6737 1 15 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.116 -0.116 19694 6738 1 15 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.578 1.102 19694 6739 1 15 . 1 1 42 42 GLU H H 42 8.500 8.500 8.095 0.405 19694 6740 1 15 . 1 1 43 43 CYS N N 43 115.600 115.600 116.397 -0.797 19694 6741 1 15 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.555 0.455 19694 6742 1 15 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.157 -1.347 19694 6743 1 15 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.216 2.364 19694 6744 1 15 . 1 1 43 43 CYS H H 43 8.120 8.120 7.968 0.152 19694 6745 1 15 . 1 1 44 44 GLY N N 44 112.100 112.100 107.159 4.941 19694 6746 1 15 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.283 1.137 19694 6747 1 15 . 1 1 44 44 GLY H H 44 7.900 7.900 8.568 -0.668 19694 6748 1 15 . 1 1 45 45 LYS N N 45 121.210 121.210 121.500 -0.290 19694 6749 1 15 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.748 0.092 19694 6750 1 15 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.749 1.611 19694 6751 1 15 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.356 0.074 19694 6752 1 15 . 1 1 45 45 LYS H H 45 8.180 8.180 7.917 0.263 19694 6753 1 15 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.598 -0.121 19694 6754 1 15 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.044 -0.344 19694 6755 1 15 . 1 1 46 46 PRO CB C 46 32.490 32.490 31.993 0.497 19694 6756 1 15 . 1 1 47 47 ILE N N 47 125.280 125.280 123.153 2.127 19694 6757 1 15 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.318 -0.488 19694 6758 1 15 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.739 0.301 19694 6759 1 15 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.761 -0.321 19694 6760 1 15 . 1 1 47 47 ILE H H 47 8.540 8.540 8.882 -0.342 19694 6761 1 15 . 1 1 48 48 GLY N N 48 114.120 114.120 114.040 0.080 19694 6762 1 15 . 1 1 48 48 GLY CA C 48 45.240 45.240 45.091 0.149 19694 6763 1 15 . 1 1 48 48 GLY H H 48 8.660 8.660 8.590 0.070 19694 6764 1 15 . 1 1 49 49 CYS N N 49 117.140 117.140 122.467 -5.327 19694 6765 1 15 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.361 -0.081 19694 6766 1 15 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.418 1.462 19694 6767 1 15 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.857 -0.207 19694 6768 1 15 . 1 1 49 49 CYS H H 49 9.210 9.210 9.482 -0.272 19694 6769 1 15 . 1 1 50 50 ASP N N 50 119.300 119.300 120.097 -0.797 19694 6770 1 15 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.592 0.028 19694 6771 1 15 . 1 1 50 50 ASP CA C 50 54.160 54.160 56.221 -2.061 19694 6772 1 15 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.863 -0.483 19694 6773 1 15 . 1 1 50 50 ASP H H 50 8.800 8.800 8.106 0.694 19694 6774 1 15 . 1 1 51 51 CYS N N 51 118.150 118.150 117.613 0.537 19694 6775 1 15 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.774 -0.154 19694 6776 1 15 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.807 1.223 19694 6777 1 15 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.284 -1.194 19694 6778 1 15 . 1 1 51 51 CYS H H 51 7.590 7.590 7.557 0.033 19694 6779 1 15 . 1 1 52 52 LYS N N 52 123.800 123.800 121.804 1.996 19694 6780 1 15 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.292 -0.112 19694 6781 1 15 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.697 0.543 19694 6782 1 15 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.915 1.115 19694 6783 1 15 . 1 1 52 52 LYS H H 52 8.600 8.600 8.426 0.174 19694 6784 1 15 . 1 1 53 53 ASP N N 53 124.900 124.900 123.823 1.077 19694 6785 1 15 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.781 -0.551 19694 6786 1 15 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.828 0.302 19694 6787 1 15 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.435 0.795 19694 6788 1 15 . 1 1 53 53 ASP H H 53 8.250 8.250 8.456 -0.206 19694 6789 1 15 . 1 1 54 54 LEU N N 54 130.160 130.160 126.235 3.925 19694 6790 1 15 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.702 -0.262 19694 6791 1 15 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.120 -1.780 19694 6792 1 15 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.475 -2.305 19694 6793 1 15 . 1 1 54 54 LEU H H 54 8.670 8.670 8.971 -0.301 19694 6794 1 15 . 1 1 55 55 SER N N 55 113.820 113.820 121.749 -7.929 19694 6795 1 15 . 1 1 55 55 SER HA H 55 5.580 5.580 5.136 0.444 19694 6796 1 15 . 1 1 55 55 SER CA C 55 55.850 55.850 56.073 -0.223 19694 6797 1 15 . 1 1 55 55 SER CB C 55 67.300 67.300 64.274 3.026 19694 6798 1 15 . 1 1 55 55 SER H H 55 8.160 8.160 8.546 -0.386 19694 6799 1 15 . 1 1 56 56 TYR N N 56 122.610 122.610 125.924 -3.314 19694 6800 1 15 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.618 0.002 19694 6801 1 15 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.716 0.094 19694 6802 1 15 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.256 -1.256 19694 6803 1 15 . 1 1 56 56 TYR H H 56 8.450 8.450 8.788 -0.338 19694 6804 1 15 . 1 1 57 57 LYS N N 57 126.020 126.020 129.061 -3.041 19694 6805 1 15 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.920 -0.450 19694 6806 1 15 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.126 0.974 19694 6807 1 15 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.148 -2.668 19694 6808 1 15 . 1 1 57 57 LYS H H 57 8.920 8.920 8.595 0.325 19694 6809 1 15 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.203 -0.373 19694 6810 1 15 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.311 -0.411 19694 6811 1 15 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.499 -0.419 19694 6812 1 15 . 1 1 58 58 ASP H H 58 8.400 8.400 8.624 -0.224 19694 6813 1 15 . 1 1 59 59 ARG N N 59 121.190 121.190 116.068 5.122 19694 6814 1 15 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.477 -0.227 19694 6815 1 15 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.167 1.413 19694 6816 1 15 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.544 -0.084 19694 6817 1 15 . 1 1 59 59 ARG H H 59 7.980 7.980 7.332 0.648 19694 6818 1 15 . 1 1 60 60 HIS N N 60 118.420 118.420 117.672 0.748 19694 6819 1 15 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.649 -0.379 19694 6820 1 15 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.128 -0.118 19694 6821 1 15 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.331 -0.951 19694 6822 1 15 . 1 1 60 60 HIS H H 60 8.350 8.350 8.101 0.249 19694 6823 1 15 . 1 1 61 61 TRP N N 61 119.990 119.990 118.274 1.716 19694 6824 1 15 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.793 1.137 19694 6825 1 15 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.124 0.276 19694 6826 1 15 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.256 1.124 19694 6827 1 15 . 1 1 61 61 TRP H H 61 9.310 9.310 9.281 0.029 19694 6828 1 15 . 1 1 62 62 HIS N N 62 117.270 117.270 120.463 -3.193 19694 6829 1 15 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.931 -0.331 19694 6830 1 15 . 1 1 62 62 HIS CA C 62 59.210 59.210 56.922 2.288 19694 6831 1 15 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.408 0.792 19694 6832 1 15 . 1 1 62 62 HIS H H 62 8.430 8.430 9.081 -0.651 19694 6833 1 15 . 1 1 63 63 GLU N N 63 124.640 124.640 127.746 -3.106 19694 6834 1 15 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.984 -0.157 19694 6835 1 15 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.477 1.543 19694 6836 1 15 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.503 0.807 19694 6837 1 15 . 1 1 63 63 GLU H H 63 9.040 9.040 8.679 0.361 19694 6838 1 15 . 1 1 64 64 ALA N N 64 117.050 117.050 117.531 -0.481 19694 6839 1 15 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.307 -0.077 19694 6840 1 15 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.034 0.966 19694 6841 1 15 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.091 -0.211 19694 6842 1 15 . 1 1 64 64 ALA H H 64 8.680 8.680 8.170 0.510 19694 6843 1 15 . 1 1 65 65 CYS N N 65 115.380 115.380 116.600 -1.220 19694 6844 1 15 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.015 0.280 19694 6845 1 15 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.200 -0.350 19694 6846 1 15 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.884 5.956 19694 6847 1 15 . 1 1 65 65 CYS H H 65 7.490 7.490 8.104 -0.614 19694 6848 1 15 . 1 1 66 66 PHE N N 66 122.020 122.020 123.217 -1.197 19694 6849 1 15 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.927 -0.037 19694 6850 1 15 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.535 -1.525 19694 6851 1 15 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.141 -0.071 19694 6852 1 15 . 1 1 66 66 PHE H H 66 7.110 7.110 7.656 -0.546 19694 6853 1 15 . 1 1 67 67 HIS N N 67 121.280 121.280 121.997 -0.717 19694 6854 1 15 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.299 -0.579 19694 6855 1 15 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.741 -0.011 19694 6856 1 15 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.823 1.407 19694 6857 1 15 . 1 1 67 67 HIS H H 67 7.380 7.380 7.974 -0.594 19694 6858 1 15 . 1 1 68 68 CYS N N 68 121.590 121.590 118.764 2.826 19694 6859 1 15 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.923 -0.963 19694 6860 1 15 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.894 1.896 19694 6861 1 15 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.568 1.632 19694 6862 1 15 . 1 1 68 68 CYS H H 68 8.530 8.530 8.291 0.239 19694 6863 1 15 . 1 1 69 69 SER N N 69 126.530 126.530 120.640 5.890 19694 6864 1 15 . 1 1 69 69 SER HA H 69 4.310 4.310 4.115 0.195 19694 6865 1 15 . 1 1 69 69 SER CA C 69 61.760 61.760 60.698 1.062 19694 6866 1 15 . 1 1 69 69 SER CB C 69 64.040 64.040 63.065 0.975 19694 6867 1 15 . 1 1 69 69 SER H H 69 9.460 9.460 8.721 0.739 19694 6868 1 15 . 1 1 70 70 GLN N N 70 122.370 122.370 119.086 3.284 19694 6869 1 15 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.345 0.165 19694 6870 1 15 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.063 0.777 19694 6871 1 15 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.578 0.852 19694 6872 1 15 . 1 1 70 70 GLN H H 70 8.980 8.980 8.040 0.940 19694 6873 1 15 . 1 1 71 71 CYS N N 71 118.860 118.860 116.342 2.518 19694 6874 1 15 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.775 -0.055 19694 6875 1 15 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.168 1.602 19694 6876 1 15 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.887 4.024 19694 6877 1 15 . 1 1 71 71 CYS H H 71 8.220 8.220 7.745 0.475 19694 6878 1 15 . 1 1 72 72 ARG N N 72 114.380 114.380 118.784 -4.404 19694 6879 1 15 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.813 0.152 19694 6880 1 15 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.282 0.748 19694 6881 1 15 . 1 1 72 72 ARG CB C 72 27.720 27.720 28.548 -0.828 19694 6882 1 15 . 1 1 72 72 ARG H H 72 7.380 7.380 7.821 -0.441 19694 6883 1 15 . 1 1 73 73 ASN N N 73 121.480 121.480 115.690 5.790 19694 6884 1 15 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.658 -0.028 19694 6885 1 15 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.157 -0.047 19694 6886 1 15 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.584 -0.714 19694 6887 1 15 . 1 1 73 73 ASN H H 73 8.722 8.722 8.176 0.546 19694 6888 1 15 . 1 1 74 74 SER N N 74 114.710 114.710 117.705 -2.995 19694 6889 1 15 . 1 1 74 74 SER HA H 74 4.060 4.060 4.814 -0.754 19694 6890 1 15 . 1 1 74 74 SER CA C 74 59.357 59.357 58.101 1.256 19694 6891 1 15 . 1 1 74 74 SER CB C 74 63.300 63.300 62.677 0.623 19694 6892 1 15 . 1 1 74 74 SER H H 74 8.690 8.690 8.506 0.184 19694 6893 1 15 . 1 1 75 75 LEU N N 75 125.757 125.757 127.233 -1.476 19694 6894 1 15 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.378 -0.098 19694 6895 1 15 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.839 -1.329 19694 6896 1 15 . 1 1 75 75 LEU CB C 75 42.200 42.200 42.206 -0.006 19694 6897 1 15 . 1 1 75 75 LEU H H 75 7.970 7.970 7.993 -0.023 19694 6898 1 15 . 1 1 76 76 VAL N N 76 120.860 120.860 123.637 -2.777 19694 6899 1 15 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.863 -0.293 19694 6900 1 15 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.819 4.601 19694 6901 1 15 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.738 -4.198 19694 6902 1 15 . 1 1 76 76 VAL H H 76 7.830 7.830 7.926 -0.096 19694 6903 1 15 . 1 1 77 77 ASP N N 77 122.360 122.360 122.574 -0.214 19694 6904 1 15 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.498 -0.268 19694 6905 1 15 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.743 0.457 19694 6906 1 15 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.951 -1.571 19694 6907 1 15 . 1 1 77 77 ASP H H 77 8.910 8.910 8.424 0.486 19694 6908 1 15 . 1 1 78 78 LYS N N 78 118.100 118.100 118.409 -0.309 19694 6909 1 15 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.637 0.233 19694 6910 1 15 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.715 3.245 19694 6911 1 15 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.748 0.932 19694 6912 1 15 . 1 1 78 78 LYS H H 78 7.660 7.660 7.622 0.038 19694 6913 1 15 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.231 0.229 19694 6914 1 15 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.943 -0.423 19694 6915 1 15 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.868 0.292 19694 6916 1 15 . 1 1 80 80 PHE N N 80 114.050 114.050 117.061 -3.011 19694 6917 1 15 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.066 -0.156 19694 6918 1 15 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.084 0.976 19694 6919 1 15 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.942 0.468 19694 6920 1 15 . 1 1 80 80 PHE H H 80 7.510 7.510 7.199 0.311 19694 6921 1 15 . 1 1 81 81 ALA N N 81 123.290 123.290 123.810 -0.520 19694 6922 1 15 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.345 -0.035 19694 6923 1 15 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.380 0.070 19694 6924 1 15 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.925 2.995 19694 6925 1 15 . 1 1 81 81 ALA H H 81 9.030 9.030 8.963 0.067 19694 6926 1 15 . 1 1 82 82 ALA N N 82 122.490 122.490 129.103 -6.613 19694 6927 1 15 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.382 0.728 19694 6928 1 15 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.744 -0.644 19694 6929 1 15 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.821 2.309 19694 6930 1 15 . 1 1 82 82 ALA H H 82 8.240 8.240 8.622 -0.382 19694 6931 1 15 . 1 1 83 83 LYS N N 83 123.580 123.580 126.021 -2.441 19694 6932 1 15 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.537 -0.047 19694 6933 1 15 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.305 0.495 19694 6934 1 15 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.144 0.576 19694 6935 1 15 . 1 1 83 83 LYS H H 83 8.400 8.400 8.209 0.191 19694 6936 1 15 . 1 1 84 84 GLU N N 84 125.470 125.470 120.319 5.151 19694 6937 1 15 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.124 -0.304 19694 6938 1 15 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.967 -0.347 19694 6939 1 15 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.724 -2.514 19694 6940 1 15 . 1 1 84 84 GLU H H 84 9.320 9.320 8.806 0.514 19694 6941 1 15 . 1 1 85 85 ASP N N 85 118.550 118.550 114.501 4.049 19694 6942 1 15 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.792 -0.192 19694 6943 1 15 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.885 1.515 19694 6944 1 15 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.159 -1.759 19694 6945 1 15 . 1 1 85 85 ASP H H 85 8.730 8.730 8.377 0.353 19694 6946 1 15 . 1 1 86 86 GLN N N 86 119.050 119.050 117.385 1.665 19694 6947 1 15 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.690 -0.150 19694 6948 1 15 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.009 1.091 19694 6949 1 15 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.012 -0.902 19694 6950 1 15 . 1 1 86 86 GLN H H 86 8.170 8.170 7.584 0.586 19694 6951 1 15 . 1 1 87 87 LEU N N 87 123.110 123.110 121.284 1.826 19694 6952 1 15 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.197 -0.577 19694 6953 1 15 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.009 0.511 19694 6954 1 15 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.598 -1.898 19694 6955 1 15 . 1 1 87 87 LEU H H 87 8.490 8.490 8.504 -0.014 19694 6956 1 15 . 1 1 88 88 LEU N N 88 123.690 123.690 120.086 3.604 19694 6957 1 15 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.947 0.933 19694 6958 1 15 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.810 0.529 19694 6959 1 15 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.814 -0.624 19694 6960 1 15 . 1 1 88 88 LEU H H 88 8.930 8.930 8.374 0.556 19694 6961 1 15 . 1 1 89 89 CYS N N 89 122.270 122.270 118.490 3.780 19694 6962 1 15 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.779 0.001 19694 6963 1 15 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.038 -1.398 19694 6964 1 15 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.664 3.276 19694 6965 1 15 . 1 1 89 89 CYS H H 89 9.430 9.430 9.069 0.361 19694 6966 1 15 . 1 1 90 90 THR N N 90 110.620 110.620 116.825 -6.205 19694 6967 1 15 . 1 1 90 90 THR HA H 90 3.900 3.900 3.968 -0.068 19694 6968 1 15 . 1 1 90 90 THR CA C 90 65.460 65.460 65.916 -0.456 19694 6969 1 15 . 1 1 90 90 THR CB C 90 68.670 68.670 68.921 -0.251 19694 6970 1 15 . 1 1 90 90 THR H H 90 8.410 8.410 9.069 -0.659 19694 6971 1 15 . 1 1 91 91 ASP N N 91 123.470 123.470 121.108 2.362 19694 6972 1 15 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.635 -0.145 19694 6973 1 15 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.108 0.702 19694 6974 1 15 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.455 0.705 19694 6975 1 15 . 1 1 91 91 ASP H H 91 8.150 8.150 8.425 -0.275 19694 6976 1 15 . 1 1 92 92 CYS N N 92 123.800 123.800 119.699 4.101 19694 6977 1 15 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.243 -0.273 19694 6978 1 15 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.308 2.792 19694 6979 1 15 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.629 4.461 19694 6980 1 15 . 1 1 92 92 CYS H H 92 8.580 8.580 7.951 0.629 19694 6981 1 15 . 1 1 93 93 TYR N N 93 120.730 120.730 120.854 -0.124 19694 6982 1 15 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.064 0.076 19694 6983 1 15 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.292 -0.912 19694 6984 1 15 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.291 1.009 19694 6985 1 15 . 1 1 93 93 TYR H H 93 8.540 8.540 9.116 -0.576 19694 6986 1 15 . 1 1 94 94 SER N N 94 115.010 115.010 112.913 2.097 19694 6987 1 15 . 1 1 94 94 SER HA H 94 4.220 4.220 4.228 -0.008 19694 6988 1 15 . 1 1 94 94 SER CA C 94 59.300 59.300 60.907 -1.607 19694 6989 1 15 . 1 1 94 94 SER CB C 94 63.660 63.660 62.521 1.139 19694 6990 1 15 . 1 1 94 94 SER H H 94 7.750 7.750 8.065 -0.315 19694 6991 1 15 . 1 1 95 95 ASN N N 95 119.820 119.820 119.878 -0.058 19694 6992 1 15 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.615 -0.105 19694 6993 1 15 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.485 -1.605 19694 6994 1 15 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.996 0.304 19694 6995 1 15 . 1 1 95 95 ASN H H 95 7.780 7.780 7.981 -0.201 19694 6996 1 15 . 1 1 96 96 GLU N N 96 119.820 119.820 117.180 2.640 19694 6997 1 15 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.236 -0.140 19694 6998 1 15 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.829 0.081 19694 6999 1 15 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.521 0.699 19694 7000 1 15 . 1 1 96 96 GLU H H 96 7.950 7.950 7.785 0.165 19694 7001 1 15 . 1 1 97 97 TYR N N 97 120.370 120.370 121.509 -1.139 19694 7002 1 15 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.974 0.645 19694 7003 1 15 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.844 -2.144 19694 7004 1 15 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.189 0.521 19694 7005 1 15 . 1 1 97 97 TYR H H 97 8.070 8.070 8.501 -0.431 19694 7006 1 16 . 1 1 2 2 THR N N 2 113.570 113.570 115.856 -2.286 19694 7007 1 16 . 1 1 2 2 THR HA H 2 4.240 4.240 4.315 -0.075 19694 7008 1 16 . 1 1 2 2 THR CA C 2 62.130 62.130 62.463 -0.333 19694 7009 1 16 . 1 1 2 2 THR CB C 2 69.250 69.250 68.995 0.256 19694 7010 1 16 . 1 1 2 2 THR H H 2 8.090 8.090 8.072 0.018 19694 7011 1 16 . 1 1 3 3 GLU N N 3 122.880 122.880 120.497 2.383 19694 7012 1 16 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.218 0.062 19694 7013 1 16 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.483 0.376 19694 7014 1 16 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.255 0.315 19694 7015 1 16 . 1 1 3 3 GLU H H 3 8.280 8.280 8.075 0.205 19694 7016 1 16 . 1 1 4 4 ARG N N 4 121.330 121.330 119.412 1.918 19694 7017 1 16 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.560 -0.260 19694 7018 1 16 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.139 0.731 19694 7019 1 16 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.713 0.927 19694 7020 1 16 . 1 1 4 4 ARG H H 4 8.280 8.280 8.552 -0.272 19694 7021 1 16 . 1 1 5 5 PHE N N 5 125.490 125.490 125.383 0.107 19694 7022 1 16 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.543 0.067 19694 7023 1 16 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.237 0.143 19694 7024 1 16 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.395 0.165 19694 7025 1 16 . 1 1 5 5 PHE H H 5 8.290 8.290 8.781 -0.491 19694 7026 1 16 . 1 1 6 6 ASP N N 6 123.260 123.260 121.663 1.597 19694 7027 1 16 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.815 0.230 19694 7028 1 16 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.143 -0.963 19694 7029 1 16 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.977 -0.767 19694 7030 1 16 . 1 1 6 6 ASP H H 6 7.940 7.940 7.598 0.342 19694 7031 1 16 . 1 1 7 7 CYS N N 7 121.440 121.440 122.881 -1.441 19694 7032 1 16 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.405 -0.445 19694 7033 1 16 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.514 0.306 19694 7034 1 16 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.289 4.661 19694 7035 1 16 . 1 1 7 7 CYS H H 7 8.700 8.700 8.659 0.041 19694 7036 1 16 . 1 1 8 8 HIS N N 8 129.390 129.390 129.918 -0.528 19694 7037 1 16 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.217 -0.017 19694 7038 1 16 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.651 -1.411 19694 7039 1 16 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.093 -0.613 19694 7040 1 16 . 1 1 8 8 HIS H H 8 9.160 9.160 9.628 -0.468 19694 7041 1 16 . 1 1 9 9 HIS N N 9 118.740 118.740 117.601 1.139 19694 7042 1 16 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.449 0.431 19694 7043 1 16 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.175 1.506 19694 7044 1 16 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.388 0.652 19694 7045 1 16 . 1 1 9 9 HIS H H 9 9.270 9.270 8.043 1.227 19694 7046 1 16 . 1 1 10 10 CYS N N 10 118.600 118.600 117.080 1.520 19694 7047 1 16 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.422 0.178 19694 7048 1 16 . 1 1 10 10 CYS CA C 10 59.600 59.600 58.999 0.601 19694 7049 1 16 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.829 4.501 19694 7050 1 16 . 1 1 10 10 CYS H H 10 8.550 8.550 7.797 0.753 19694 7051 1 16 . 1 1 11 11 ASN N N 11 116.220 116.220 118.169 -1.949 19694 7052 1 16 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.399 0.011 19694 7053 1 16 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.422 1.218 19694 7054 1 16 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.267 0.934 19694 7055 1 16 . 1 1 11 11 ASN H H 11 7.690 7.690 8.645 -0.955 19694 7056 1 16 . 1 1 12 12 GLU N N 12 120.330 120.330 117.056 3.274 19694 7057 1 16 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.467 -0.247 19694 7058 1 16 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.160 1.540 19694 7059 1 16 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.799 0.111 19694 7060 1 16 . 1 1 12 12 GLU H H 12 8.210 8.210 7.786 0.424 19694 7061 1 16 . 1 1 13 13 SER N N 13 116.190 116.190 119.762 -3.572 19694 7062 1 16 . 1 1 13 13 SER HA H 13 4.060 4.060 4.500 -0.440 19694 7063 1 16 . 1 1 13 13 SER CA C 13 59.350 59.350 58.812 0.538 19694 7064 1 16 . 1 1 13 13 SER CB C 13 63.820 63.820 63.473 0.347 19694 7065 1 16 . 1 1 13 13 SER H H 13 8.520 8.520 8.696 -0.176 19694 7066 1 16 . 1 1 14 14 LEU N N 14 126.060 126.060 124.635 1.425 19694 7067 1 16 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.345 -0.035 19694 7068 1 16 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.788 -1.688 19694 7069 1 16 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.322 0.878 19694 7070 1 16 . 1 1 14 14 LEU H H 14 8.910 8.910 7.722 1.188 19694 7071 1 16 . 1 1 15 15 PHE N N 15 120.660 120.660 121.358 -0.698 19694 7072 1 16 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.605 -0.125 19694 7073 1 16 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.148 4.253 19694 7074 1 16 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.734 0.396 19694 7075 1 16 . 1 1 15 15 PHE H H 15 7.820 7.820 8.700 -0.880 19694 7076 1 16 . 1 1 16 16 GLY N N 16 114.730 114.730 110.351 4.379 19694 7077 1 16 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.958 -0.058 19694 7078 1 16 . 1 1 16 16 GLY H H 16 8.860 8.860 8.527 0.333 19694 7079 1 16 . 1 1 17 17 LYS N N 17 119.580 119.580 120.185 -0.605 19694 7080 1 16 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.511 -0.031 19694 7081 1 16 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.444 0.016 19694 7082 1 16 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.303 1.497 19694 7083 1 16 . 1 1 17 17 LYS H H 17 8.030 8.030 7.233 0.797 19694 7084 1 16 . 1 1 18 18 LYS N N 18 120.330 120.330 122.195 -1.865 19694 7085 1 16 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.312 -0.032 19694 7086 1 16 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.443 -0.643 19694 7087 1 16 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.758 0.252 19694 7088 1 16 . 1 1 18 18 LYS H H 18 8.190 8.190 8.460 -0.270 19694 7089 1 16 . 1 1 19 19 TYR N N 19 117.500 117.500 115.302 2.198 19694 7090 1 16 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.844 0.396 19694 7091 1 16 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.313 -0.973 19694 7092 1 16 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.308 2.542 19694 7093 1 16 . 1 1 19 19 TYR H H 19 7.610 7.610 7.896 -0.286 19694 7094 1 16 . 1 1 20 20 ILE N N 20 121.430 121.430 121.886 -0.456 19694 7095 1 16 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.250 -0.113 19694 7096 1 16 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.135 -0.125 19694 7097 1 16 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.598 0.972 19694 7098 1 16 . 1 1 20 20 ILE H H 20 9.350 9.350 8.245 1.105 19694 7099 1 16 . 1 1 21 21 LEU N N 21 126.720 126.720 126.161 0.559 19694 7100 1 16 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.755 0.335 19694 7101 1 16 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.950 0.070 19694 7102 1 16 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.759 2.961 19694 7103 1 16 . 1 1 21 21 LEU H H 21 8.530 8.530 8.515 0.015 19694 7104 1 16 . 1 1 22 22 ARG N N 22 123.930 123.930 125.441 -1.511 19694 7105 1 16 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.531 -0.091 19694 7106 1 16 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.194 1.406 19694 7107 1 16 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.627 -0.347 19694 7108 1 16 . 1 1 22 22 ARG H H 22 9.080 9.080 8.863 0.217 19694 7109 1 16 . 1 1 23 23 GLU N N 23 128.500 128.500 124.744 3.756 19694 7110 1 16 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.950 -0.110 19694 7111 1 16 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.706 0.324 19694 7112 1 16 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.864 -0.664 19694 7113 1 16 . 1 1 23 23 GLU H H 23 9.610 9.610 9.018 0.592 19694 7114 1 16 . 1 1 24 24 GLU N N 24 110.300 110.300 113.438 -3.138 19694 7115 1 16 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.937 -0.157 19694 7116 1 16 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.261 1.059 19694 7117 1 16 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.710 -0.490 19694 7118 1 16 . 1 1 24 24 GLU H H 24 8.660 8.660 8.621 0.039 19694 7119 1 16 . 1 1 25 25 SER N N 25 117.700 117.700 112.758 4.942 19694 7120 1 16 . 1 1 25 25 SER HA H 25 4.890 4.890 4.778 0.112 19694 7121 1 16 . 1 1 25 25 SER CA C 25 56.540 56.540 56.058 0.482 19694 7122 1 16 . 1 1 25 25 SER CB C 25 64.720 64.720 65.031 -0.311 19694 7123 1 16 . 1 1 25 25 SER H H 25 7.900 7.900 7.775 0.125 19694 7124 1 16 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.868 0.127 19694 7125 1 16 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.080 -1.330 19694 7126 1 16 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.603 1.057 19694 7127 1 16 . 1 1 27 27 TYR N N 27 118.100 118.100 123.653 -5.553 19694 7128 1 16 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.981 0.929 19694 7129 1 16 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.858 1.972 19694 7130 1 16 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.514 0.296 19694 7131 1 16 . 1 1 27 27 TYR H H 27 9.040 9.040 8.659 0.381 19694 7132 1 16 . 1 1 28 28 CYS N N 28 122.230 122.230 118.935 3.295 19694 7133 1 16 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.665 0.185 19694 7134 1 16 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.469 -0.359 19694 7135 1 16 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.094 1.436 19694 7136 1 16 . 1 1 28 28 CYS H H 28 9.850 9.850 8.320 1.530 19694 7137 1 16 . 1 1 29 29 VAL N N 29 118.200 118.200 122.662 -4.462 19694 7138 1 16 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.766 -0.116 19694 7139 1 16 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.859 0.541 19694 7140 1 16 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.468 0.392 19694 7141 1 16 . 1 1 29 29 VAL H H 29 8.430 8.430 8.909 -0.479 19694 7142 1 16 . 1 1 30 30 VAL N N 30 119.570 119.570 118.752 0.818 19694 7143 1 16 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.603 0.257 19694 7144 1 16 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.639 -0.189 19694 7145 1 16 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.035 0.505 19694 7146 1 16 . 1 1 30 30 VAL H H 30 7.700 7.700 7.882 -0.182 19694 7147 1 16 . 1 1 31 31 CYS N N 31 125.890 125.890 119.307 6.583 19694 7148 1 16 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.887 -0.057 19694 7149 1 16 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.353 1.497 19694 7150 1 16 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.569 3.941 19694 7151 1 16 . 1 1 31 31 CYS H H 31 9.050 9.050 7.595 1.455 19694 7152 1 16 . 1 1 32 32 PHE N N 32 119.000 119.000 119.318 -0.318 19694 7153 1 16 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.669 0.111 19694 7154 1 16 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.776 0.834 19694 7155 1 16 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.033 0.887 19694 7156 1 16 . 1 1 32 32 PHE H H 32 9.080 9.080 7.892 1.188 19694 7157 1 16 . 1 1 33 33 GLU N N 33 117.470 117.470 118.131 -0.661 19694 7158 1 16 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.048 -0.288 19694 7159 1 16 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.380 -0.170 19694 7160 1 16 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.233 0.247 19694 7161 1 16 . 1 1 33 33 GLU H H 33 8.510 8.510 8.157 0.353 19694 7162 1 16 . 1 1 34 34 THR N N 34 114.140 114.140 115.407 -1.267 19694 7163 1 16 . 1 1 34 34 THR HA H 34 3.730 3.730 3.898 -0.168 19694 7164 1 16 . 1 1 34 34 THR CA C 34 65.890 65.890 66.083 -0.193 19694 7165 1 16 . 1 1 34 34 THR CB C 34 69.210 69.210 68.730 0.480 19694 7166 1 16 . 1 1 34 34 THR H H 34 7.880 7.880 8.286 -0.406 19694 7167 1 16 . 1 1 35 35 LEU N N 35 117.980 117.980 118.753 -0.773 19694 7168 1 16 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.960 -0.310 19694 7169 1 16 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.226 -0.366 19694 7170 1 16 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.846 0.024 19694 7171 1 16 . 1 1 35 35 LEU H H 35 7.660 7.660 7.721 -0.061 19694 7172 1 16 . 1 1 36 36 PHE N N 36 113.900 113.900 112.964 0.936 19694 7173 1 16 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.465 0.132 19694 7174 1 16 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.411 0.449 19694 7175 1 16 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.192 2.378 19694 7176 1 16 . 1 1 36 36 PHE H H 36 7.730 7.730 6.649 1.081 19694 7177 1 16 . 1 1 37 37 ALA N N 37 121.920 121.920 123.004 -1.084 19694 7178 1 16 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.056 0.014 19694 7179 1 16 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.362 0.538 19694 7180 1 16 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.704 0.066 19694 7181 1 16 . 1 1 37 37 ALA H H 37 7.090 7.090 7.809 -0.719 19694 7182 1 16 . 1 1 38 38 ASN N N 38 119.230 119.230 118.857 0.373 19694 7183 1 16 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.643 -0.193 19694 7184 1 16 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.661 0.189 19694 7185 1 16 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.987 -1.038 19694 7186 1 16 . 1 1 38 38 ASN H H 38 8.790 8.790 8.376 0.414 19694 7187 1 16 . 1 1 39 39 THR N N 39 116.330 116.330 115.462 0.868 19694 7188 1 16 . 1 1 39 39 THR HA H 39 3.990 3.990 4.309 -0.319 19694 7189 1 16 . 1 1 39 39 THR CA C 39 62.130 62.130 62.336 -0.206 19694 7190 1 16 . 1 1 39 39 THR CB C 39 69.920 69.920 69.915 0.005 19694 7191 1 16 . 1 1 39 39 THR H H 39 8.540 8.540 8.231 0.309 19694 7192 1 16 . 1 1 40 40 CYS N N 40 126.950 126.950 128.174 -1.224 19694 7193 1 16 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.446 -0.146 19694 7194 1 16 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.154 1.196 19694 7195 1 16 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.531 5.069 19694 7196 1 16 . 1 1 40 40 CYS H H 40 7.940 7.940 8.561 -0.621 19694 7197 1 16 . 1 1 41 41 GLU N N 41 130.560 130.560 127.610 2.950 19694 7198 1 16 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.831 -0.141 19694 7199 1 16 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.135 -0.535 19694 7200 1 16 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.422 1.038 19694 7201 1 16 . 1 1 41 41 GLU H H 41 8.810 8.810 8.625 0.185 19694 7202 1 16 . 1 1 42 42 GLU N N 42 119.680 119.680 118.359 1.321 19694 7203 1 16 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.334 0.236 19694 7204 1 16 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.026 -0.026 19694 7205 1 16 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.575 1.105 19694 7206 1 16 . 1 1 42 42 GLU H H 42 8.500 8.500 8.107 0.393 19694 7207 1 16 . 1 1 43 43 CYS N N 43 115.600 115.600 116.856 -1.256 19694 7208 1 16 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.512 0.498 19694 7209 1 16 . 1 1 43 43 CYS CA C 43 58.810 58.810 59.875 -1.065 19694 7210 1 16 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.507 3.073 19694 7211 1 16 . 1 1 43 43 CYS H H 43 8.120 8.120 8.096 0.024 19694 7212 1 16 . 1 1 44 44 GLY N N 44 112.100 112.100 107.461 4.639 19694 7213 1 16 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.348 1.072 19694 7214 1 16 . 1 1 44 44 GLY H H 44 7.900 7.900 8.695 -0.795 19694 7215 1 16 . 1 1 45 45 LYS N N 45 121.210 121.210 120.749 0.461 19694 7216 1 16 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.694 0.146 19694 7217 1 16 . 1 1 45 45 LYS CA C 45 54.360 54.360 53.043 1.317 19694 7218 1 16 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.776 -0.346 19694 7219 1 16 . 1 1 45 45 LYS H H 45 8.180 8.180 7.829 0.351 19694 7220 1 16 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.533 -0.056 19694 7221 1 16 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.017 -0.317 19694 7222 1 16 . 1 1 46 46 PRO CB C 46 32.490 32.490 31.974 0.516 19694 7223 1 16 . 1 1 47 47 ILE N N 47 125.280 125.280 122.940 2.340 19694 7224 1 16 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.308 -0.478 19694 7225 1 16 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.779 0.262 19694 7226 1 16 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.650 -0.210 19694 7227 1 16 . 1 1 47 47 ILE H H 47 8.540 8.540 8.860 -0.320 19694 7228 1 16 . 1 1 48 48 GLY N N 48 114.120 114.120 113.790 0.330 19694 7229 1 16 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.463 0.777 19694 7230 1 16 . 1 1 48 48 GLY H H 48 8.660 8.660 8.469 0.191 19694 7231 1 16 . 1 1 49 49 CYS N N 49 117.140 117.140 117.015 0.125 19694 7232 1 16 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.379 -0.099 19694 7233 1 16 . 1 1 49 49 CYS CA C 49 60.880 60.880 58.017 2.863 19694 7234 1 16 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.283 0.367 19694 7235 1 16 . 1 1 49 49 CYS H H 49 9.210 9.210 8.468 0.742 19694 7236 1 16 . 1 1 50 50 ASP N N 50 119.300 119.300 120.762 -1.462 19694 7237 1 16 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.642 -0.022 19694 7238 1 16 . 1 1 50 50 ASP CA C 50 54.160 54.160 54.840 -0.680 19694 7239 1 16 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.203 0.177 19694 7240 1 16 . 1 1 50 50 ASP H H 50 8.800 8.800 8.497 0.303 19694 7241 1 16 . 1 1 51 51 CYS N N 51 118.150 118.150 117.173 0.977 19694 7242 1 16 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.618 0.002 19694 7243 1 16 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.959 0.071 19694 7244 1 16 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.462 -1.371 19694 7245 1 16 . 1 1 51 51 CYS H H 51 7.590 7.590 7.291 0.299 19694 7246 1 16 . 1 1 52 52 LYS N N 52 123.800 123.800 124.500 -0.700 19694 7247 1 16 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.210 -0.030 19694 7248 1 16 . 1 1 52 52 LYS CA C 52 57.240 57.240 57.014 0.226 19694 7249 1 16 . 1 1 52 52 LYS CB C 52 33.030 33.030 32.169 0.861 19694 7250 1 16 . 1 1 52 52 LYS H H 52 8.600 8.600 8.701 -0.101 19694 7251 1 16 . 1 1 53 53 ASP N N 53 124.900 124.900 126.666 -1.766 19694 7252 1 16 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.641 -0.411 19694 7253 1 16 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.706 -0.576 19694 7254 1 16 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.226 1.004 19694 7255 1 16 . 1 1 53 53 ASP H H 53 8.250 8.250 8.230 0.020 19694 7256 1 16 . 1 1 54 54 LEU N N 54 130.160 130.160 127.032 3.128 19694 7257 1 16 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.511 -0.071 19694 7258 1 16 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.684 -2.344 19694 7259 1 16 . 1 1 54 54 LEU CB C 54 41.170 41.170 42.865 -1.695 19694 7260 1 16 . 1 1 54 54 LEU H H 54 8.670 8.670 8.908 -0.238 19694 7261 1 16 . 1 1 55 55 SER N N 55 113.820 113.820 120.329 -6.509 19694 7262 1 16 . 1 1 55 55 SER HA H 55 5.580 5.580 5.095 0.485 19694 7263 1 16 . 1 1 55 55 SER CA C 55 55.850 55.850 56.513 -0.663 19694 7264 1 16 . 1 1 55 55 SER CB C 55 67.300 67.300 64.612 2.688 19694 7265 1 16 . 1 1 55 55 SER H H 55 8.160 8.160 8.236 -0.076 19694 7266 1 16 . 1 1 56 56 TYR N N 56 122.610 122.610 125.769 -3.159 19694 7267 1 16 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.637 -0.017 19694 7268 1 16 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.552 0.258 19694 7269 1 16 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.552 -1.552 19694 7270 1 16 . 1 1 56 56 TYR H H 56 8.450 8.450 8.953 -0.503 19694 7271 1 16 . 1 1 57 57 LYS N N 57 126.020 126.020 129.162 -3.142 19694 7272 1 16 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.871 -0.401 19694 7273 1 16 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.549 0.551 19694 7274 1 16 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.029 -2.549 19694 7275 1 16 . 1 1 57 57 LYS H H 57 8.920 8.920 8.754 0.166 19694 7276 1 16 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.211 -0.381 19694 7277 1 16 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.395 -0.494 19694 7278 1 16 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.856 -0.776 19694 7279 1 16 . 1 1 58 58 ASP H H 58 8.400 8.400 8.480 -0.080 19694 7280 1 16 . 1 1 59 59 ARG N N 59 121.190 121.190 115.884 5.306 19694 7281 1 16 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.574 -0.324 19694 7282 1 16 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.282 1.298 19694 7283 1 16 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.574 -0.114 19694 7284 1 16 . 1 1 59 59 ARG H H 59 7.980 7.980 7.867 0.113 19694 7285 1 16 . 1 1 60 60 HIS N N 60 118.420 118.420 117.599 0.821 19694 7286 1 16 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.649 -0.379 19694 7287 1 16 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.188 -0.178 19694 7288 1 16 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.436 -1.056 19694 7289 1 16 . 1 1 60 60 HIS H H 60 8.350 8.350 8.134 0.216 19694 7290 1 16 . 1 1 61 61 TRP N N 61 119.990 119.990 118.283 1.707 19694 7291 1 16 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.787 1.143 19694 7292 1 16 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.142 0.258 19694 7293 1 16 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.216 1.164 19694 7294 1 16 . 1 1 61 61 TRP H H 61 9.310 9.310 9.405 -0.095 19694 7295 1 16 . 1 1 62 62 HIS N N 62 117.270 117.270 121.383 -4.113 19694 7296 1 16 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.668 -0.068 19694 7297 1 16 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.670 1.540 19694 7298 1 16 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.595 0.605 19694 7299 1 16 . 1 1 62 62 HIS H H 62 8.430 8.430 9.183 -0.753 19694 7300 1 16 . 1 1 63 63 GLU N N 63 124.640 124.640 128.871 -4.231 19694 7301 1 16 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.991 -0.164 19694 7302 1 16 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.783 1.237 19694 7303 1 16 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.764 0.546 19694 7304 1 16 . 1 1 63 63 GLU H H 63 9.040 9.040 8.471 0.569 19694 7305 1 16 . 1 1 64 64 ALA N N 64 117.050 117.050 117.882 -0.832 19694 7306 1 16 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.347 -0.117 19694 7307 1 16 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.092 0.908 19694 7308 1 16 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.991 -0.111 19694 7309 1 16 . 1 1 64 64 ALA H H 64 8.680 8.680 8.385 0.295 19694 7310 1 16 . 1 1 65 65 CYS N N 65 115.380 115.380 117.535 -2.155 19694 7311 1 16 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.581 -0.286 19694 7312 1 16 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.592 -0.742 19694 7313 1 16 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.518 5.322 19694 7314 1 16 . 1 1 65 65 CYS H H 65 7.490 7.490 8.327 -0.837 19694 7315 1 16 . 1 1 66 66 PHE N N 66 122.020 122.020 122.916 -0.896 19694 7316 1 16 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.857 0.033 19694 7317 1 16 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.617 -1.607 19694 7318 1 16 . 1 1 66 66 PHE CB C 66 38.070 38.070 37.984 0.086 19694 7319 1 16 . 1 1 66 66 PHE H H 66 7.110 7.110 7.705 -0.595 19694 7320 1 16 . 1 1 67 67 HIS N N 67 121.280 121.280 121.093 0.187 19694 7321 1 16 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.283 -0.563 19694 7322 1 16 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.748 -1.018 19694 7323 1 16 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.859 0.371 19694 7324 1 16 . 1 1 67 67 HIS H H 67 7.380 7.380 7.055 0.325 19694 7325 1 16 . 1 1 68 68 CYS N N 68 121.590 121.590 118.978 2.612 19694 7326 1 16 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.922 -0.962 19694 7327 1 16 . 1 1 68 68 CYS CA C 68 59.790 59.790 58.088 1.702 19694 7328 1 16 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.836 1.364 19694 7329 1 16 . 1 1 68 68 CYS H H 68 8.530 8.530 8.470 0.060 19694 7330 1 16 . 1 1 69 69 SER N N 69 126.530 126.530 120.186 6.344 19694 7331 1 16 . 1 1 69 69 SER HA H 69 4.310 4.310 4.319 -0.009 19694 7332 1 16 . 1 1 69 69 SER CA C 69 61.760 61.760 61.538 0.222 19694 7333 1 16 . 1 1 69 69 SER CB C 69 64.040 64.040 63.448 0.592 19694 7334 1 16 . 1 1 69 69 SER H H 69 9.460 9.460 8.713 0.747 19694 7335 1 16 . 1 1 70 70 GLN N N 70 122.370 122.370 118.983 3.387 19694 7336 1 16 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.426 0.084 19694 7337 1 16 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.236 0.604 19694 7338 1 16 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.308 1.122 19694 7339 1 16 . 1 1 70 70 GLN H H 70 8.980 8.980 7.876 1.104 19694 7340 1 16 . 1 1 71 71 CYS N N 71 118.860 118.860 116.104 2.756 19694 7341 1 16 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.653 0.067 19694 7342 1 16 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.325 1.445 19694 7343 1 16 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.898 4.012 19694 7344 1 16 . 1 1 71 71 CYS H H 71 8.220 8.220 7.828 0.392 19694 7345 1 16 . 1 1 72 72 ARG N N 72 114.380 114.380 116.063 -1.683 19694 7346 1 16 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.994 -0.029 19694 7347 1 16 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.351 0.679 19694 7348 1 16 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.891 -0.171 19694 7349 1 16 . 1 1 72 72 ARG H H 72 7.380 7.380 7.884 -0.504 19694 7350 1 16 . 1 1 73 73 ASN N N 73 121.480 121.480 116.139 5.341 19694 7351 1 16 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.652 -0.022 19694 7352 1 16 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.833 0.277 19694 7353 1 16 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.691 -0.821 19694 7354 1 16 . 1 1 73 73 ASN H H 73 8.722 8.722 8.070 0.652 19694 7355 1 16 . 1 1 74 74 SER N N 74 114.710 114.710 117.852 -3.142 19694 7356 1 16 . 1 1 74 74 SER HA H 74 4.060 4.060 4.902 -0.842 19694 7357 1 16 . 1 1 74 74 SER CA C 74 59.357 59.357 58.122 1.235 19694 7358 1 16 . 1 1 74 74 SER CB C 74 63.300 63.300 63.299 0.001 19694 7359 1 16 . 1 1 74 74 SER H H 74 8.690 8.690 8.514 0.176 19694 7360 1 16 . 1 1 75 75 LEU N N 75 125.757 125.757 128.670 -2.913 19694 7361 1 16 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.282 -0.002 19694 7362 1 16 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.725 -1.215 19694 7363 1 16 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.720 0.480 19694 7364 1 16 . 1 1 75 75 LEU H H 75 7.970 7.970 8.063 -0.093 19694 7365 1 16 . 1 1 76 76 VAL N N 76 120.860 120.860 124.745 -3.885 19694 7366 1 16 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.846 -0.276 19694 7367 1 16 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.858 4.562 19694 7368 1 16 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.117 -3.577 19694 7369 1 16 . 1 1 76 76 VAL H H 76 7.830 7.830 7.971 -0.141 19694 7370 1 16 . 1 1 77 77 ASP N N 77 122.360 122.360 123.747 -1.387 19694 7371 1 16 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.460 -0.230 19694 7372 1 16 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.825 0.374 19694 7373 1 16 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.899 -1.519 19694 7374 1 16 . 1 1 77 77 ASP H H 77 8.910 8.910 8.401 0.509 19694 7375 1 16 . 1 1 78 78 LYS N N 78 118.100 118.100 118.404 -0.304 19694 7376 1 16 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.647 0.223 19694 7377 1 16 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.643 3.317 19694 7378 1 16 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.829 0.851 19694 7379 1 16 . 1 1 78 78 LYS H H 78 7.660 7.660 7.634 0.026 19694 7380 1 16 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.207 0.253 19694 7381 1 16 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.964 -0.444 19694 7382 1 16 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.855 0.305 19694 7383 1 16 . 1 1 80 80 PHE N N 80 114.050 114.050 117.076 -3.026 19694 7384 1 16 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.058 -0.148 19694 7385 1 16 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.102 0.958 19694 7386 1 16 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.861 0.548 19694 7387 1 16 . 1 1 80 80 PHE H H 80 7.510 7.510 7.175 0.335 19694 7388 1 16 . 1 1 81 81 ALA N N 81 123.290 123.290 123.713 -0.423 19694 7389 1 16 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.373 -0.063 19694 7390 1 16 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.366 0.084 19694 7391 1 16 . 1 1 81 81 ALA CB C 81 21.920 21.920 19.071 2.849 19694 7392 1 16 . 1 1 81 81 ALA H H 81 9.030 9.030 9.046 -0.016 19694 7393 1 16 . 1 1 82 82 ALA N N 82 122.490 122.490 129.225 -6.735 19694 7394 1 16 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.363 0.747 19694 7395 1 16 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.606 -0.506 19694 7396 1 16 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.827 2.303 19694 7397 1 16 . 1 1 82 82 ALA H H 82 8.240 8.240 8.645 -0.405 19694 7398 1 16 . 1 1 83 83 LYS N N 83 123.580 123.580 125.404 -1.824 19694 7399 1 16 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.519 -0.029 19694 7400 1 16 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.335 0.465 19694 7401 1 16 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.054 0.666 19694 7402 1 16 . 1 1 83 83 LYS H H 83 8.400 8.400 8.309 0.091 19694 7403 1 16 . 1 1 84 84 GLU N N 84 125.470 125.470 120.515 4.955 19694 7404 1 16 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.126 -0.306 19694 7405 1 16 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.190 -0.570 19694 7406 1 16 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.638 -2.428 19694 7407 1 16 . 1 1 84 84 GLU H H 84 9.320 9.320 8.757 0.563 19694 7408 1 16 . 1 1 85 85 ASP N N 85 118.550 118.550 114.788 3.762 19694 7409 1 16 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.801 -0.201 19694 7410 1 16 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.804 1.596 19694 7411 1 16 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.149 -1.749 19694 7412 1 16 . 1 1 85 85 ASP H H 85 8.730 8.730 8.432 0.298 19694 7413 1 16 . 1 1 86 86 GLN N N 86 119.050 119.050 117.200 1.850 19694 7414 1 16 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.658 -0.118 19694 7415 1 16 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.006 1.094 19694 7416 1 16 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.068 -0.958 19694 7417 1 16 . 1 1 86 86 GLN H H 86 8.170 8.170 7.573 0.597 19694 7418 1 16 . 1 1 87 87 LEU N N 87 123.110 123.110 121.209 1.901 19694 7419 1 16 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.160 -0.540 19694 7420 1 16 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.939 0.581 19694 7421 1 16 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.520 -1.820 19694 7422 1 16 . 1 1 87 87 LEU H H 87 8.490 8.490 8.462 0.028 19694 7423 1 16 . 1 1 88 88 LEU N N 88 123.690 123.690 120.066 3.624 19694 7424 1 16 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.961 0.919 19694 7425 1 16 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.846 0.494 19694 7426 1 16 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.838 -0.648 19694 7427 1 16 . 1 1 88 88 LEU H H 88 8.930 8.930 8.394 0.536 19694 7428 1 16 . 1 1 89 89 CYS N N 89 122.270 122.270 119.182 3.088 19694 7429 1 16 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.853 -0.073 19694 7430 1 16 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.384 -1.744 19694 7431 1 16 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.877 3.063 19694 7432 1 16 . 1 1 89 89 CYS H H 89 9.430 9.430 9.079 0.351 19694 7433 1 16 . 1 1 90 90 THR N N 90 110.620 110.620 117.432 -6.812 19694 7434 1 16 . 1 1 90 90 THR HA H 90 3.900 3.900 3.940 -0.040 19694 7435 1 16 . 1 1 90 90 THR CA C 90 65.460 65.460 65.665 -0.205 19694 7436 1 16 . 1 1 90 90 THR CB C 90 68.670 68.670 68.734 -0.064 19694 7437 1 16 . 1 1 90 90 THR H H 90 8.410 8.410 8.882 -0.472 19694 7438 1 16 . 1 1 91 91 ASP N N 91 123.470 123.470 120.366 3.104 19694 7439 1 16 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.612 -0.122 19694 7440 1 16 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.466 0.344 19694 7441 1 16 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.576 0.584 19694 7442 1 16 . 1 1 91 91 ASP H H 91 8.150 8.150 8.442 -0.292 19694 7443 1 16 . 1 1 92 92 CYS N N 92 123.800 123.800 119.449 4.351 19694 7444 1 16 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.401 -0.431 19694 7445 1 16 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.282 2.818 19694 7446 1 16 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.383 3.707 19694 7447 1 16 . 1 1 92 92 CYS H H 92 8.580 8.580 7.983 0.597 19694 7448 1 16 . 1 1 93 93 TYR N N 93 120.730 120.730 121.416 -0.686 19694 7449 1 16 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.292 -0.152 19694 7450 1 16 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.057 -0.677 19694 7451 1 16 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.819 0.481 19694 7452 1 16 . 1 1 93 93 TYR H H 93 8.540 8.540 9.077 -0.537 19694 7453 1 16 . 1 1 94 94 SER N N 94 115.010 115.010 113.182 1.828 19694 7454 1 16 . 1 1 94 94 SER HA H 94 4.220 4.220 4.205 0.015 19694 7455 1 16 . 1 1 94 94 SER CA C 94 59.300 59.300 61.761 -2.461 19694 7456 1 16 . 1 1 94 94 SER CB C 94 63.660 63.660 62.597 1.063 19694 7457 1 16 . 1 1 94 94 SER H H 94 7.750 7.750 7.983 -0.233 19694 7458 1 16 . 1 1 95 95 ASN N N 95 119.820 119.820 119.362 0.458 19694 7459 1 16 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.622 -0.112 19694 7460 1 16 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.146 -1.266 19694 7461 1 16 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.811 0.489 19694 7462 1 16 . 1 1 95 95 ASN H H 95 7.780 7.780 7.767 0.013 19694 7463 1 16 . 1 1 96 96 GLU N N 96 119.820 119.820 117.219 2.601 19694 7464 1 16 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.289 -0.193 19694 7465 1 16 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.891 0.019 19694 7466 1 16 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.565 0.655 19694 7467 1 16 . 1 1 96 96 GLU H H 96 7.950 7.950 7.468 0.482 19694 7468 1 16 . 1 1 97 97 TYR N N 97 120.370 120.370 122.274 -1.904 19694 7469 1 16 . 1 1 97 97 TYR HA H 97 4.620 4.620 3.878 0.742 19694 7470 1 16 . 1 1 97 97 TYR CA C 97 57.700 57.700 60.906 -3.206 19694 7471 1 16 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.365 0.345 19694 7472 1 16 . 1 1 97 97 TYR H H 97 8.070 8.070 8.367 -0.297 19694 7473 1 17 . 1 1 2 2 THR N N 2 113.570 113.570 115.939 -2.369 19694 7474 1 17 . 1 1 2 2 THR HA H 2 4.240 4.240 4.143 0.097 19694 7475 1 17 . 1 1 2 2 THR CA C 2 62.130 62.130 63.551 -1.421 19694 7476 1 17 . 1 1 2 2 THR CB C 2 69.250 69.250 69.141 0.109 19694 7477 1 17 . 1 1 2 2 THR H H 2 8.090 8.090 8.063 0.027 19694 7478 1 17 . 1 1 3 3 GLU N N 3 122.880 122.880 120.171 2.709 19694 7479 1 17 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.168 0.112 19694 7480 1 17 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.662 0.198 19694 7481 1 17 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.175 0.395 19694 7482 1 17 . 1 1 3 3 GLU H H 3 8.280 8.280 8.062 0.218 19694 7483 1 17 . 1 1 4 4 ARG N N 4 121.330 121.330 119.279 2.051 19694 7484 1 17 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.531 -0.231 19694 7485 1 17 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.194 0.676 19694 7486 1 17 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.852 0.788 19694 7487 1 17 . 1 1 4 4 ARG H H 4 8.280 8.280 8.516 -0.236 19694 7488 1 17 . 1 1 5 5 PHE N N 5 125.490 125.490 124.999 0.491 19694 7489 1 17 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.584 0.026 19694 7490 1 17 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.442 -0.062 19694 7491 1 17 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.691 -0.131 19694 7492 1 17 . 1 1 5 5 PHE H H 5 8.290 8.290 8.727 -0.437 19694 7493 1 17 . 1 1 6 6 ASP N N 6 123.260 123.260 121.314 1.946 19694 7494 1 17 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.819 0.226 19694 7495 1 17 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.230 -1.050 19694 7496 1 17 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.485 -0.275 19694 7497 1 17 . 1 1 6 6 ASP H H 6 7.940 7.940 7.618 0.322 19694 7498 1 17 . 1 1 7 7 CYS N N 7 121.440 121.440 122.830 -1.390 19694 7499 1 17 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.473 -0.513 19694 7500 1 17 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.572 0.248 19694 7501 1 17 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.244 4.706 19694 7502 1 17 . 1 1 7 7 CYS H H 7 8.700 8.700 8.561 0.139 19694 7503 1 17 . 1 1 8 8 HIS N N 8 129.390 129.390 129.858 -0.468 19694 7504 1 17 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.209 -0.009 19694 7505 1 17 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.624 -1.384 19694 7506 1 17 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.110 -0.630 19694 7507 1 17 . 1 1 8 8 HIS H H 8 9.160 9.160 9.621 -0.461 19694 7508 1 17 . 1 1 9 9 HIS N N 9 118.740 118.740 117.562 1.178 19694 7509 1 17 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.428 0.452 19694 7510 1 17 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.075 1.605 19694 7511 1 17 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.345 0.695 19694 7512 1 17 . 1 1 9 9 HIS H H 9 9.270 9.270 8.008 1.262 19694 7513 1 17 . 1 1 10 10 CYS N N 10 118.600 118.600 117.645 0.955 19694 7514 1 17 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.384 0.216 19694 7515 1 17 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.249 0.351 19694 7516 1 17 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.849 4.481 19694 7517 1 17 . 1 1 10 10 CYS H H 10 8.550 8.550 7.869 0.681 19694 7518 1 17 . 1 1 11 11 ASN N N 11 116.220 116.220 117.037 -0.817 19694 7519 1 17 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.376 0.034 19694 7520 1 17 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.474 1.166 19694 7521 1 17 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.461 1.740 19694 7522 1 17 . 1 1 11 11 ASN H H 11 7.690 7.690 8.761 -1.071 19694 7523 1 17 . 1 1 12 12 GLU N N 12 120.330 120.330 117.685 2.645 19694 7524 1 17 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.545 -0.325 19694 7525 1 17 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.569 2.131 19694 7526 1 17 . 1 1 12 12 GLU CB C 12 30.910 30.910 31.175 -0.265 19694 7527 1 17 . 1 1 12 12 GLU H H 12 8.210 8.210 7.608 0.602 19694 7528 1 17 . 1 1 13 13 SER N N 13 116.190 116.190 119.556 -3.366 19694 7529 1 17 . 1 1 13 13 SER HA H 13 4.060 4.060 4.362 -0.302 19694 7530 1 17 . 1 1 13 13 SER CA C 13 59.350 59.350 58.501 0.849 19694 7531 1 17 . 1 1 13 13 SER CB C 13 63.820 63.820 63.623 0.197 19694 7532 1 17 . 1 1 13 13 SER H H 13 8.520 8.520 8.661 -0.141 19694 7533 1 17 . 1 1 14 14 LEU N N 14 126.060 126.060 126.549 -0.489 19694 7534 1 17 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.362 -0.052 19694 7535 1 17 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.861 -1.761 19694 7536 1 17 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.733 0.467 19694 7537 1 17 . 1 1 14 14 LEU H H 14 8.910 8.910 7.774 1.136 19694 7538 1 17 . 1 1 15 15 PHE N N 15 120.660 120.660 120.900 -0.240 19694 7539 1 17 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.609 -0.129 19694 7540 1 17 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.132 4.268 19694 7541 1 17 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.983 0.147 19694 7542 1 17 . 1 1 15 15 PHE H H 15 7.820 7.820 8.515 -0.695 19694 7543 1 17 . 1 1 16 16 GLY N N 16 114.730 114.730 110.943 3.787 19694 7544 1 17 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.804 0.096 19694 7545 1 17 . 1 1 16 16 GLY H H 16 8.860 8.860 8.804 0.056 19694 7546 1 17 . 1 1 17 17 LYS N N 17 119.580 119.580 119.917 -0.337 19694 7547 1 17 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.502 -0.022 19694 7548 1 17 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.419 0.041 19694 7549 1 17 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.099 1.700 19694 7550 1 17 . 1 1 17 17 LYS H H 17 8.030 8.030 7.196 0.834 19694 7551 1 17 . 1 1 18 18 LYS N N 18 120.330 120.330 123.288 -2.958 19694 7552 1 17 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.305 -0.025 19694 7553 1 17 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.738 -0.938 19694 7554 1 17 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.172 -0.162 19694 7555 1 17 . 1 1 18 18 LYS H H 18 8.190 8.190 8.521 -0.331 19694 7556 1 17 . 1 1 19 19 TYR N N 19 117.500 117.500 115.775 1.725 19694 7557 1 17 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.813 0.427 19694 7558 1 17 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.230 -0.890 19694 7559 1 17 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.353 2.497 19694 7560 1 17 . 1 1 19 19 TYR H H 19 7.610 7.610 7.863 -0.253 19694 7561 1 17 . 1 1 20 20 ILE N N 20 121.430 121.430 121.726 -0.296 19694 7562 1 17 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.254 -0.117 19694 7563 1 17 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.117 -0.107 19694 7564 1 17 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.732 0.838 19694 7565 1 17 . 1 1 20 20 ILE H H 20 9.350 9.350 8.197 1.153 19694 7566 1 17 . 1 1 21 21 LEU N N 21 126.720 126.720 126.066 0.654 19694 7567 1 17 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.765 0.325 19694 7568 1 17 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.920 0.100 19694 7569 1 17 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.834 2.886 19694 7570 1 17 . 1 1 21 21 LEU H H 21 8.530 8.530 8.510 0.020 19694 7571 1 17 . 1 1 22 22 ARG N N 22 123.930 123.930 126.216 -2.286 19694 7572 1 17 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.488 -0.048 19694 7573 1 17 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.360 1.240 19694 7574 1 17 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.250 0.030 19694 7575 1 17 . 1 1 22 22 ARG H H 22 9.080 9.080 8.880 0.200 19694 7576 1 17 . 1 1 23 23 GLU N N 23 128.500 128.500 123.427 5.073 19694 7577 1 17 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.919 -0.079 19694 7578 1 17 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.917 0.113 19694 7579 1 17 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.767 -0.567 19694 7580 1 17 . 1 1 23 23 GLU H H 23 9.610 9.610 8.970 0.640 19694 7581 1 17 . 1 1 24 24 GLU N N 24 110.300 110.300 113.224 -2.924 19694 7582 1 17 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.976 -0.196 19694 7583 1 17 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.385 0.935 19694 7584 1 17 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.433 -0.213 19694 7585 1 17 . 1 1 24 24 GLU H H 24 8.660 8.660 8.695 -0.035 19694 7586 1 17 . 1 1 25 25 SER N N 25 117.700 117.700 112.875 4.825 19694 7587 1 17 . 1 1 25 25 SER HA H 25 4.890 4.890 4.782 0.108 19694 7588 1 17 . 1 1 25 25 SER CA C 25 56.540 56.540 55.709 0.831 19694 7589 1 17 . 1 1 25 25 SER CB C 25 64.720 64.720 64.548 0.172 19694 7590 1 17 . 1 1 25 25 SER H H 25 7.900 7.900 7.752 0.148 19694 7591 1 17 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.874 0.121 19694 7592 1 17 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.097 -1.347 19694 7593 1 17 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.649 1.011 19694 7594 1 17 . 1 1 27 27 TYR N N 27 118.100 118.100 123.564 -5.464 19694 7595 1 17 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.983 0.927 19694 7596 1 17 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.857 1.973 19694 7597 1 17 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.531 0.279 19694 7598 1 17 . 1 1 27 27 TYR H H 27 9.040 9.040 8.748 0.292 19694 7599 1 17 . 1 1 28 28 CYS N N 28 122.230 122.230 118.878 3.352 19694 7600 1 17 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.678 0.172 19694 7601 1 17 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.414 -0.305 19694 7602 1 17 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.132 1.398 19694 7603 1 17 . 1 1 28 28 CYS H H 28 9.850 9.850 8.313 1.537 19694 7604 1 17 . 1 1 29 29 VAL N N 29 118.200 118.200 123.418 -5.218 19694 7605 1 17 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.661 -0.011 19694 7606 1 17 . 1 1 29 29 VAL CA C 29 67.400 67.400 67.165 0.235 19694 7607 1 17 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.514 0.346 19694 7608 1 17 . 1 1 29 29 VAL H H 29 8.430 8.430 8.996 -0.566 19694 7609 1 17 . 1 1 30 30 VAL N N 30 119.570 119.570 118.419 1.151 19694 7610 1 17 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.526 0.334 19694 7611 1 17 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.118 0.332 19694 7612 1 17 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.129 0.411 19694 7613 1 17 . 1 1 30 30 VAL H H 30 7.700 7.700 8.138 -0.438 19694 7614 1 17 . 1 1 31 31 CYS N N 31 125.890 125.890 119.221 6.669 19694 7615 1 17 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.884 -0.054 19694 7616 1 17 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.217 1.633 19694 7617 1 17 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.470 4.040 19694 7618 1 17 . 1 1 31 31 CYS H H 31 9.050 9.050 7.652 1.398 19694 7619 1 17 . 1 1 32 32 PHE N N 32 119.000 119.000 119.281 -0.281 19694 7620 1 17 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.675 0.105 19694 7621 1 17 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.802 0.808 19694 7622 1 17 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.023 0.897 19694 7623 1 17 . 1 1 32 32 PHE H H 32 9.080 9.080 7.866 1.214 19694 7624 1 17 . 1 1 33 33 GLU N N 33 117.470 117.470 117.748 -0.278 19694 7625 1 17 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.069 -0.309 19694 7626 1 17 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.449 -0.239 19694 7627 1 17 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.229 0.251 19694 7628 1 17 . 1 1 33 33 GLU H H 33 8.510 8.510 8.037 0.473 19694 7629 1 17 . 1 1 34 34 THR N N 34 114.140 114.140 115.670 -1.530 19694 7630 1 17 . 1 1 34 34 THR HA H 34 3.730 3.730 3.936 -0.206 19694 7631 1 17 . 1 1 34 34 THR CA C 34 65.890 65.890 66.015 -0.125 19694 7632 1 17 . 1 1 34 34 THR CB C 34 69.210 69.210 68.709 0.501 19694 7633 1 17 . 1 1 34 34 THR H H 34 7.880 7.880 8.249 -0.369 19694 7634 1 17 . 1 1 35 35 LEU N N 35 117.980 117.980 118.613 -0.633 19694 7635 1 17 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.946 -0.296 19694 7636 1 17 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.207 -0.347 19694 7637 1 17 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.699 0.171 19694 7638 1 17 . 1 1 35 35 LEU H H 35 7.660 7.660 7.729 -0.069 19694 7639 1 17 . 1 1 36 36 PHE N N 36 113.900 113.900 114.007 -0.107 19694 7640 1 17 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.414 0.183 19694 7641 1 17 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.376 0.484 19694 7642 1 17 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.241 2.329 19694 7643 1 17 . 1 1 36 36 PHE H H 36 7.730 7.730 6.633 1.097 19694 7644 1 17 . 1 1 37 37 ALA N N 37 121.920 121.920 123.259 -1.339 19694 7645 1 17 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.107 -0.037 19694 7646 1 17 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.299 0.601 19694 7647 1 17 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.771 -0.001 19694 7648 1 17 . 1 1 37 37 ALA H H 37 7.090 7.090 7.892 -0.802 19694 7649 1 17 . 1 1 38 38 ASN N N 38 119.230 119.230 118.921 0.309 19694 7650 1 17 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.665 -0.215 19694 7651 1 17 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.570 0.280 19694 7652 1 17 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.348 -1.398 19694 7653 1 17 . 1 1 38 38 ASN H H 38 8.790 8.790 8.289 0.501 19694 7654 1 17 . 1 1 39 39 THR N N 39 116.330 116.330 115.855 0.475 19694 7655 1 17 . 1 1 39 39 THR HA H 39 3.990 3.990 4.306 -0.316 19694 7656 1 17 . 1 1 39 39 THR CA C 39 62.130 62.130 63.115 -0.985 19694 7657 1 17 . 1 1 39 39 THR CB C 39 69.920 69.920 69.519 0.401 19694 7658 1 17 . 1 1 39 39 THR H H 39 8.540 8.540 8.207 0.333 19694 7659 1 17 . 1 1 40 40 CYS N N 40 126.950 126.950 128.378 -1.428 19694 7660 1 17 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.441 -0.141 19694 7661 1 17 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.243 1.107 19694 7662 1 17 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.671 4.929 19694 7663 1 17 . 1 1 40 40 CYS H H 40 7.940 7.940 8.448 -0.508 19694 7664 1 17 . 1 1 41 41 GLU N N 41 130.560 130.560 127.596 2.964 19694 7665 1 17 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.851 -0.161 19694 7666 1 17 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.140 -0.540 19694 7667 1 17 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.465 0.995 19694 7668 1 17 . 1 1 41 41 GLU H H 41 8.810 8.810 8.656 0.154 19694 7669 1 17 . 1 1 42 42 GLU N N 42 119.680 119.680 118.442 1.238 19694 7670 1 17 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.343 0.227 19694 7671 1 17 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.150 -0.150 19694 7672 1 17 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.524 1.156 19694 7673 1 17 . 1 1 42 42 GLU H H 42 8.500 8.500 8.116 0.384 19694 7674 1 17 . 1 1 43 43 CYS N N 43 115.600 115.600 116.172 -0.572 19694 7675 1 17 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.587 0.423 19694 7676 1 17 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.029 -1.218 19694 7677 1 17 . 1 1 43 43 CYS CB C 43 31.580 31.580 28.971 2.609 19694 7678 1 17 . 1 1 43 43 CYS H H 43 8.120 8.120 8.082 0.038 19694 7679 1 17 . 1 1 44 44 GLY N N 44 112.100 112.100 106.717 5.383 19694 7680 1 17 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.266 1.154 19694 7681 1 17 . 1 1 44 44 GLY H H 44 7.900 7.900 8.548 -0.648 19694 7682 1 17 . 1 1 45 45 LYS N N 45 121.210 121.210 121.822 -0.612 19694 7683 1 17 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.668 0.172 19694 7684 1 17 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.771 1.589 19694 7685 1 17 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.909 -0.479 19694 7686 1 17 . 1 1 45 45 LYS H H 45 8.180 8.180 7.841 0.339 19694 7687 1 17 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.521 -0.044 19694 7688 1 17 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.042 -0.342 19694 7689 1 17 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.045 0.445 19694 7690 1 17 . 1 1 47 47 ILE N N 47 125.280 125.280 123.239 2.041 19694 7691 1 17 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.295 -0.465 19694 7692 1 17 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.661 0.379 19694 7693 1 17 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.671 -0.231 19694 7694 1 17 . 1 1 47 47 ILE H H 47 8.540 8.540 8.922 -0.382 19694 7695 1 17 . 1 1 48 48 GLY N N 48 114.120 114.120 114.331 -0.211 19694 7696 1 17 . 1 1 48 48 GLY CA C 48 45.240 45.240 45.179 0.061 19694 7697 1 17 . 1 1 48 48 GLY H H 48 8.660 8.660 8.575 0.085 19694 7698 1 17 . 1 1 49 49 CYS N N 49 117.140 117.140 123.643 -6.503 19694 7699 1 17 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.227 0.053 19694 7700 1 17 . 1 1 49 49 CYS CA C 49 60.880 60.880 60.284 0.596 19694 7701 1 17 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.073 0.577 19694 7702 1 17 . 1 1 49 49 CYS H H 49 9.210 9.210 8.629 0.581 19694 7703 1 17 . 1 1 50 50 ASP N N 50 119.300 119.300 120.026 -0.726 19694 7704 1 17 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.698 -0.078 19694 7705 1 17 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.633 -1.473 19694 7706 1 17 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.115 0.265 19694 7707 1 17 . 1 1 50 50 ASP H H 50 8.800 8.800 8.280 0.520 19694 7708 1 17 . 1 1 51 51 CYS N N 51 118.150 118.150 117.089 1.061 19694 7709 1 17 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.741 -0.121 19694 7710 1 17 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.209 0.821 19694 7711 1 17 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.409 -1.319 19694 7712 1 17 . 1 1 51 51 CYS H H 51 7.590 7.590 7.238 0.352 19694 7713 1 17 . 1 1 52 52 LYS N N 52 123.800 123.800 122.996 0.804 19694 7714 1 17 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.259 -0.079 19694 7715 1 17 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.517 0.723 19694 7716 1 17 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.180 1.850 19694 7717 1 17 . 1 1 52 52 LYS H H 52 8.600 8.600 8.542 0.058 19694 7718 1 17 . 1 1 53 53 ASP N N 53 124.900 124.900 122.880 2.020 19694 7719 1 17 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.706 -0.476 19694 7720 1 17 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.964 0.166 19694 7721 1 17 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.774 1.456 19694 7722 1 17 . 1 1 53 53 ASP H H 53 8.250 8.250 8.239 0.011 19694 7723 1 17 . 1 1 54 54 LEU N N 54 130.160 130.160 125.125 5.035 19694 7724 1 17 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.534 -0.094 19694 7725 1 17 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.511 -2.171 19694 7726 1 17 . 1 1 54 54 LEU CB C 54 41.170 41.170 42.787 -1.617 19694 7727 1 17 . 1 1 54 54 LEU H H 54 8.670 8.670 8.860 -0.190 19694 7728 1 17 . 1 1 55 55 SER N N 55 113.820 113.820 121.188 -7.368 19694 7729 1 17 . 1 1 55 55 SER HA H 55 5.580 5.580 5.063 0.517 19694 7730 1 17 . 1 1 55 55 SER CA C 55 55.850 55.850 56.617 -0.767 19694 7731 1 17 . 1 1 55 55 SER CB C 55 67.300 67.300 64.644 2.656 19694 7732 1 17 . 1 1 55 55 SER H H 55 8.160 8.160 8.398 -0.238 19694 7733 1 17 . 1 1 56 56 TYR N N 56 122.610 122.610 126.305 -3.695 19694 7734 1 17 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.630 -0.010 19694 7735 1 17 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.727 0.083 19694 7736 1 17 . 1 1 56 56 TYR CB C 56 41.000 41.000 41.777 -0.777 19694 7737 1 17 . 1 1 56 56 TYR H H 56 8.450 8.450 8.684 -0.234 19694 7738 1 17 . 1 1 57 57 LYS N N 57 126.020 126.020 129.074 -3.054 19694 7739 1 17 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.914 -0.444 19694 7740 1 17 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.127 0.973 19694 7741 1 17 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.095 -2.615 19694 7742 1 17 . 1 1 57 57 LYS H H 57 8.920 8.920 8.575 0.345 19694 7743 1 17 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.248 -0.418 19694 7744 1 17 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.287 -0.387 19694 7745 1 17 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.503 -0.423 19694 7746 1 17 . 1 1 58 58 ASP H H 58 8.400 8.400 8.632 -0.232 19694 7747 1 17 . 1 1 59 59 ARG N N 59 121.190 121.190 116.776 4.414 19694 7748 1 17 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.400 -0.150 19694 7749 1 17 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.174 1.406 19694 7750 1 17 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.253 0.207 19694 7751 1 17 . 1 1 59 59 ARG H H 59 7.980 7.980 7.349 0.631 19694 7752 1 17 . 1 1 60 60 HIS N N 60 118.420 118.420 117.594 0.826 19694 7753 1 17 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.628 -0.358 19694 7754 1 17 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.183 -0.173 19694 7755 1 17 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.409 -1.029 19694 7756 1 17 . 1 1 60 60 HIS H H 60 8.350 8.350 8.133 0.217 19694 7757 1 17 . 1 1 61 61 TRP N N 61 119.990 119.990 118.219 1.771 19694 7758 1 17 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.782 1.148 19694 7759 1 17 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.117 0.283 19694 7760 1 17 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.208 1.172 19694 7761 1 17 . 1 1 61 61 TRP H H 61 9.310 9.310 9.229 0.081 19694 7762 1 17 . 1 1 62 62 HIS N N 62 117.270 117.270 121.039 -3.769 19694 7763 1 17 . 1 1 62 62 HIS HA H 62 4.600 4.600 5.019 -0.419 19694 7764 1 17 . 1 1 62 62 HIS CA C 62 59.210 59.210 56.789 2.421 19694 7765 1 17 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.235 0.965 19694 7766 1 17 . 1 1 62 62 HIS H H 62 8.430 8.430 9.104 -0.674 19694 7767 1 17 . 1 1 63 63 GLU N N 63 124.640 124.640 128.583 -3.943 19694 7768 1 17 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.949 -0.122 19694 7769 1 17 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.844 1.176 19694 7770 1 17 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.472 0.838 19694 7771 1 17 . 1 1 63 63 GLU H H 63 9.040 9.040 8.635 0.405 19694 7772 1 17 . 1 1 64 64 ALA N N 64 117.050 117.050 118.230 -1.180 19694 7773 1 17 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.270 -0.040 19694 7774 1 17 . 1 1 64 64 ALA CA C 64 54.000 54.000 52.981 1.019 19694 7775 1 17 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.928 -0.048 19694 7776 1 17 . 1 1 64 64 ALA H H 64 8.680 8.680 8.266 0.414 19694 7777 1 17 . 1 1 65 65 CYS N N 65 115.380 115.380 117.276 -1.896 19694 7778 1 17 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.023 0.272 19694 7779 1 17 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.154 -0.305 19694 7780 1 17 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.133 5.707 19694 7781 1 17 . 1 1 65 65 CYS H H 65 7.490 7.490 8.190 -0.700 19694 7782 1 17 . 1 1 66 66 PHE N N 66 122.020 122.020 123.083 -1.063 19694 7783 1 17 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.986 -0.096 19694 7784 1 17 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.603 -1.593 19694 7785 1 17 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.254 -0.184 19694 7786 1 17 . 1 1 66 66 PHE H H 66 7.110 7.110 7.578 -0.468 19694 7787 1 17 . 1 1 67 67 HIS N N 67 121.280 121.280 121.930 -0.650 19694 7788 1 17 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.307 -0.587 19694 7789 1 17 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.002 -0.272 19694 7790 1 17 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.036 1.194 19694 7791 1 17 . 1 1 67 67 HIS H H 67 7.380 7.380 8.078 -0.698 19694 7792 1 17 . 1 1 68 68 CYS N N 68 121.590 121.590 119.155 2.435 19694 7793 1 17 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.757 -0.797 19694 7794 1 17 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.858 1.931 19694 7795 1 17 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.194 2.006 19694 7796 1 17 . 1 1 68 68 CYS H H 68 8.530 8.530 8.413 0.117 19694 7797 1 17 . 1 1 69 69 SER N N 69 126.530 126.530 120.020 6.510 19694 7798 1 17 . 1 1 69 69 SER HA H 69 4.310 4.310 4.073 0.237 19694 7799 1 17 . 1 1 69 69 SER CA C 69 61.760 61.760 60.704 1.056 19694 7800 1 17 . 1 1 69 69 SER CB C 69 64.040 64.040 63.328 0.712 19694 7801 1 17 . 1 1 69 69 SER H H 69 9.460 9.460 8.754 0.706 19694 7802 1 17 . 1 1 70 70 GLN N N 70 122.370 122.370 118.561 3.809 19694 7803 1 17 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.440 0.070 19694 7804 1 17 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.311 0.529 19694 7805 1 17 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.940 0.490 19694 7806 1 17 . 1 1 70 70 GLN H H 70 8.980 8.980 7.830 1.150 19694 7807 1 17 . 1 1 71 71 CYS N N 71 118.860 118.860 116.814 2.046 19694 7808 1 17 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.683 0.037 19694 7809 1 17 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.298 1.472 19694 7810 1 17 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.972 3.938 19694 7811 1 17 . 1 1 71 71 CYS H H 71 8.220 8.220 7.746 0.474 19694 7812 1 17 . 1 1 72 72 ARG N N 72 114.380 114.380 115.425 -1.045 19694 7813 1 17 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.873 0.092 19694 7814 1 17 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.261 0.769 19694 7815 1 17 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.426 0.294 19694 7816 1 17 . 1 1 72 72 ARG H H 72 7.380 7.380 7.733 -0.353 19694 7817 1 17 . 1 1 73 73 ASN N N 73 121.480 121.480 115.948 5.532 19694 7818 1 17 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.711 -0.081 19694 7819 1 17 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.904 0.206 19694 7820 1 17 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.617 -0.747 19694 7821 1 17 . 1 1 73 73 ASN H H 73 8.722 8.722 8.089 0.633 19694 7822 1 17 . 1 1 74 74 SER N N 74 114.710 114.710 117.604 -2.894 19694 7823 1 17 . 1 1 74 74 SER HA H 74 4.060 4.060 4.885 -0.825 19694 7824 1 17 . 1 1 74 74 SER CA C 74 59.357 59.357 58.281 1.076 19694 7825 1 17 . 1 1 74 74 SER CB C 74 63.300 63.300 62.925 0.375 19694 7826 1 17 . 1 1 74 74 SER H H 74 8.690 8.690 8.490 0.200 19694 7827 1 17 . 1 1 75 75 LEU N N 75 125.757 125.757 127.610 -1.853 19694 7828 1 17 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.286 -0.006 19694 7829 1 17 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.907 -1.397 19694 7830 1 17 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.743 0.457 19694 7831 1 17 . 1 1 75 75 LEU H H 75 7.970 7.970 8.068 -0.098 19694 7832 1 17 . 1 1 76 76 VAL N N 76 120.860 120.860 124.641 -3.781 19694 7833 1 17 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.859 -0.289 19694 7834 1 17 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.782 4.638 19694 7835 1 17 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.947 -3.406 19694 7836 1 17 . 1 1 76 76 VAL H H 76 7.830 7.830 7.903 -0.073 19694 7837 1 17 . 1 1 77 77 ASP N N 77 122.360 122.360 123.113 -0.753 19694 7838 1 17 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.551 -0.321 19694 7839 1 17 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.846 0.354 19694 7840 1 17 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.982 -1.602 19694 7841 1 17 . 1 1 77 77 ASP H H 77 8.910 8.910 8.333 0.577 19694 7842 1 17 . 1 1 78 78 LYS N N 78 118.100 118.100 118.217 -0.117 19694 7843 1 17 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.684 0.186 19694 7844 1 17 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.747 3.213 19694 7845 1 17 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.589 1.091 19694 7846 1 17 . 1 1 78 78 LYS H H 78 7.660 7.660 7.675 -0.015 19694 7847 1 17 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.231 0.229 19694 7848 1 17 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.921 -0.401 19694 7849 1 17 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.743 0.417 19694 7850 1 17 . 1 1 80 80 PHE N N 80 114.050 114.050 117.077 -3.027 19694 7851 1 17 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.070 -0.160 19694 7852 1 17 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.108 0.952 19694 7853 1 17 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.922 0.488 19694 7854 1 17 . 1 1 80 80 PHE H H 80 7.510 7.510 7.183 0.327 19694 7855 1 17 . 1 1 81 81 ALA N N 81 123.290 123.290 123.708 -0.418 19694 7856 1 17 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.346 -0.036 19694 7857 1 17 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.357 0.093 19694 7858 1 17 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.985 2.936 19694 7859 1 17 . 1 1 81 81 ALA H H 81 9.030 9.030 9.034 -0.004 19694 7860 1 17 . 1 1 82 82 ALA N N 82 122.490 122.490 128.350 -5.860 19694 7861 1 17 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.379 0.731 19694 7862 1 17 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.926 -0.826 19694 7863 1 17 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.776 2.354 19694 7864 1 17 . 1 1 82 82 ALA H H 82 8.240 8.240 8.578 -0.338 19694 7865 1 17 . 1 1 83 83 LYS N N 83 123.580 123.580 125.665 -2.085 19694 7866 1 17 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.482 0.008 19694 7867 1 17 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.375 0.425 19694 7868 1 17 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.095 0.625 19694 7869 1 17 . 1 1 83 83 LYS H H 83 8.400 8.400 8.312 0.088 19694 7870 1 17 . 1 1 84 84 GLU N N 84 125.470 125.470 120.032 5.438 19694 7871 1 17 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.134 -0.314 19694 7872 1 17 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.111 -0.492 19694 7873 1 17 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.653 -2.443 19694 7874 1 17 . 1 1 84 84 GLU H H 84 9.320 9.320 8.631 0.689 19694 7875 1 17 . 1 1 85 85 ASP N N 85 118.550 118.550 114.501 4.049 19694 7876 1 17 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.788 -0.188 19694 7877 1 17 . 1 1 85 85 ASP CA C 85 55.400 55.400 54.041 1.359 19694 7878 1 17 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.932 -1.532 19694 7879 1 17 . 1 1 85 85 ASP H H 85 8.730 8.730 8.305 0.425 19694 7880 1 17 . 1 1 86 86 GLN N N 86 119.050 119.050 116.740 2.310 19694 7881 1 17 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.663 -0.123 19694 7882 1 17 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.883 1.217 19694 7883 1 17 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.850 -0.740 19694 7884 1 17 . 1 1 86 86 GLN H H 86 8.170 8.170 7.586 0.584 19694 7885 1 17 . 1 1 87 87 LEU N N 87 123.110 123.110 121.296 1.814 19694 7886 1 17 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.212 -0.592 19694 7887 1 17 . 1 1 87 87 LEU CA C 87 54.520 54.520 53.987 0.533 19694 7888 1 17 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.650 -1.950 19694 7889 1 17 . 1 1 87 87 LEU H H 87 8.490 8.490 8.475 0.015 19694 7890 1 17 . 1 1 88 88 LEU N N 88 123.690 123.690 120.111 3.579 19694 7891 1 17 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.937 0.943 19694 7892 1 17 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.807 0.533 19694 7893 1 17 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.816 -0.626 19694 7894 1 17 . 1 1 88 88 LEU H H 88 8.930 8.930 8.338 0.592 19694 7895 1 17 . 1 1 89 89 CYS N N 89 122.270 122.270 118.552 3.718 19694 7896 1 17 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.769 0.011 19694 7897 1 17 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.029 -1.389 19694 7898 1 17 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.670 3.270 19694 7899 1 17 . 1 1 89 89 CYS H H 89 9.430 9.430 9.089 0.341 19694 7900 1 17 . 1 1 90 90 THR N N 90 110.620 110.620 116.716 -6.096 19694 7901 1 17 . 1 1 90 90 THR HA H 90 3.900 3.900 3.989 -0.089 19694 7902 1 17 . 1 1 90 90 THR CA C 90 65.460 65.460 65.811 -0.351 19694 7903 1 17 . 1 1 90 90 THR CB C 90 68.670 68.670 68.947 -0.277 19694 7904 1 17 . 1 1 90 90 THR H H 90 8.410 8.410 9.012 -0.602 19694 7905 1 17 . 1 1 91 91 ASP N N 91 123.470 123.470 120.960 2.510 19694 7906 1 17 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.651 -0.161 19694 7907 1 17 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.334 0.477 19694 7908 1 17 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.723 0.437 19694 7909 1 17 . 1 1 91 91 ASP H H 91 8.150 8.150 8.421 -0.271 19694 7910 1 17 . 1 1 92 92 CYS N N 92 123.800 123.800 119.589 4.211 19694 7911 1 17 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.377 -0.407 19694 7912 1 17 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.315 2.785 19694 7913 1 17 . 1 1 92 92 CYS CB C 92 30.090 30.090 26.314 3.776 19694 7914 1 17 . 1 1 92 92 CYS H H 92 8.580 8.580 7.917 0.663 19694 7915 1 17 . 1 1 93 93 TYR N N 93 120.730 120.730 120.982 -0.252 19694 7916 1 17 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.090 0.050 19694 7917 1 17 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.624 -1.244 19694 7918 1 17 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.461 0.840 19694 7919 1 17 . 1 1 93 93 TYR H H 93 8.540 8.540 9.162 -0.622 19694 7920 1 17 . 1 1 94 94 SER N N 94 115.010 115.010 113.167 1.843 19694 7921 1 17 . 1 1 94 94 SER HA H 94 4.220 4.220 4.231 -0.011 19694 7922 1 17 . 1 1 94 94 SER CA C 94 59.300 59.300 61.672 -2.372 19694 7923 1 17 . 1 1 94 94 SER CB C 94 63.660 63.660 62.487 1.173 19694 7924 1 17 . 1 1 94 94 SER H H 94 7.750 7.750 8.099 -0.349 19694 7925 1 17 . 1 1 95 95 ASN N N 95 119.820 119.820 119.432 0.388 19694 7926 1 17 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.586 -0.076 19694 7927 1 17 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.572 -1.692 19694 7928 1 17 . 1 1 95 95 ASN CB C 95 39.300 39.300 39.047 0.253 19694 7929 1 17 . 1 1 95 95 ASN H H 95 7.780 7.780 7.782 -0.002 19694 7930 1 17 . 1 1 96 96 GLU N N 96 119.820 119.820 117.063 2.757 19694 7931 1 17 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.169 -0.073 19694 7932 1 17 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.926 -0.016 19694 7933 1 17 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.659 0.561 19694 7934 1 17 . 1 1 96 96 GLU H H 96 7.950 7.950 7.738 0.212 19694 7935 1 17 . 1 1 97 97 TYR N N 97 120.370 120.370 120.623 -0.253 19694 7936 1 17 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.065 0.555 19694 7937 1 17 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.372 -1.672 19694 7938 1 17 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.410 0.299 19694 7939 1 17 . 1 1 97 97 TYR H H 97 8.070 8.070 8.530 -0.460 19694 7940 1 18 . 1 1 2 2 THR N N 2 113.570 113.570 116.073 -2.503 19694 7941 1 18 . 1 1 2 2 THR HA H 2 4.240 4.240 4.548 -0.308 19694 7942 1 18 . 1 1 2 2 THR CA C 2 62.130 62.130 62.984 -0.854 19694 7943 1 18 . 1 1 2 2 THR CB C 2 69.250 69.250 69.230 0.020 19694 7944 1 18 . 1 1 2 2 THR H H 2 8.090 8.090 8.280 -0.190 19694 7945 1 18 . 1 1 3 3 GLU N N 3 122.880 122.880 121.225 1.655 19694 7946 1 18 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.396 -0.116 19694 7947 1 18 . 1 1 3 3 GLU CA C 3 56.860 56.860 55.673 1.187 19694 7948 1 18 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.526 0.044 19694 7949 1 18 . 1 1 3 3 GLU H H 3 8.280 8.280 8.007 0.273 19694 7950 1 18 . 1 1 4 4 ARG N N 4 121.330 121.330 119.293 2.037 19694 7951 1 18 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.590 -0.290 19694 7952 1 18 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.078 0.792 19694 7953 1 18 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.895 0.745 19694 7954 1 18 . 1 1 4 4 ARG H H 4 8.280 8.280 8.528 -0.248 19694 7955 1 18 . 1 1 5 5 PHE N N 5 125.490 125.490 123.969 1.521 19694 7956 1 18 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.598 0.012 19694 7957 1 18 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.373 0.007 19694 7958 1 18 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.657 -0.097 19694 7959 1 18 . 1 1 5 5 PHE H H 5 8.290 8.290 8.724 -0.434 19694 7960 1 18 . 1 1 6 6 ASP N N 6 123.260 123.260 121.809 1.451 19694 7961 1 18 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.783 0.262 19694 7962 1 18 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.897 -0.717 19694 7963 1 18 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.511 -0.301 19694 7964 1 18 . 1 1 6 6 ASP H H 6 7.940 7.940 7.610 0.330 19694 7965 1 18 . 1 1 7 7 CYS N N 7 121.440 121.440 122.914 -1.474 19694 7966 1 18 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.442 -0.482 19694 7967 1 18 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.510 0.310 19694 7968 1 18 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.133 4.817 19694 7969 1 18 . 1 1 7 7 CYS H H 7 8.700 8.700 8.594 0.106 19694 7970 1 18 . 1 1 8 8 HIS N N 8 129.390 129.390 129.491 -0.101 19694 7971 1 18 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.206 -0.006 19694 7972 1 18 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.642 -1.402 19694 7973 1 18 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.130 -0.649 19694 7974 1 18 . 1 1 8 8 HIS H H 8 9.160 9.160 9.577 -0.417 19694 7975 1 18 . 1 1 9 9 HIS N N 9 118.740 118.740 116.907 1.833 19694 7976 1 18 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.566 0.314 19694 7977 1 18 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.105 1.575 19694 7978 1 18 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.304 0.736 19694 7979 1 18 . 1 1 9 9 HIS H H 9 9.270 9.270 8.068 1.202 19694 7980 1 18 . 1 1 10 10 CYS N N 10 118.600 118.600 117.144 1.456 19694 7981 1 18 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.422 0.178 19694 7982 1 18 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.047 0.553 19694 7983 1 18 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.791 4.539 19694 7984 1 18 . 1 1 10 10 CYS H H 10 8.550 8.550 7.821 0.729 19694 7985 1 18 . 1 1 11 11 ASN N N 11 116.220 116.220 118.068 -1.848 19694 7986 1 18 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.383 0.026 19694 7987 1 18 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.432 1.208 19694 7988 1 18 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.258 0.943 19694 7989 1 18 . 1 1 11 11 ASN H H 11 7.690 7.690 8.658 -0.968 19694 7990 1 18 . 1 1 12 12 GLU N N 12 120.330 120.330 116.873 3.457 19694 7991 1 18 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.497 -0.277 19694 7992 1 18 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.081 1.619 19694 7993 1 18 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.610 0.300 19694 7994 1 18 . 1 1 12 12 GLU H H 12 8.210 8.210 7.700 0.510 19694 7995 1 18 . 1 1 13 13 SER N N 13 116.190 116.190 119.895 -3.705 19694 7996 1 18 . 1 1 13 13 SER HA H 13 4.060 4.060 4.498 -0.438 19694 7997 1 18 . 1 1 13 13 SER CA C 13 59.350 59.350 58.449 0.901 19694 7998 1 18 . 1 1 13 13 SER CB C 13 63.820 63.820 63.607 0.213 19694 7999 1 18 . 1 1 13 13 SER H H 13 8.520 8.520 8.669 -0.149 19694 8000 1 18 . 1 1 14 14 LEU N N 14 126.060 126.060 126.469 -0.409 19694 8001 1 18 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.350 -0.040 19694 8002 1 18 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.883 -1.782 19694 8003 1 18 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.702 0.498 19694 8004 1 18 . 1 1 14 14 LEU H H 14 8.910 8.910 7.737 1.173 19694 8005 1 18 . 1 1 15 15 PHE N N 15 120.660 120.660 120.915 -0.255 19694 8006 1 18 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.609 -0.129 19694 8007 1 18 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.139 4.261 19694 8008 1 18 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.977 0.153 19694 8009 1 18 . 1 1 15 15 PHE H H 15 7.820 7.820 8.510 -0.690 19694 8010 1 18 . 1 1 16 16 GLY N N 16 114.730 114.730 110.925 3.805 19694 8011 1 18 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.812 0.088 19694 8012 1 18 . 1 1 16 16 GLY H H 16 8.860 8.860 8.803 0.057 19694 8013 1 18 . 1 1 17 17 LYS N N 17 119.580 119.580 119.813 -0.233 19694 8014 1 18 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.475 0.005 19694 8015 1 18 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.548 -0.088 19694 8016 1 18 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.995 1.805 19694 8017 1 18 . 1 1 17 17 LYS H H 17 8.030 8.030 7.260 0.770 19694 8018 1 18 . 1 1 18 18 LYS N N 18 120.330 120.330 122.046 -1.716 19694 8019 1 18 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.332 -0.052 19694 8020 1 18 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.539 -0.739 19694 8021 1 18 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.047 -0.037 19694 8022 1 18 . 1 1 18 18 LYS H H 18 8.190 8.190 8.545 -0.355 19694 8023 1 18 . 1 1 19 19 TYR N N 19 117.500 117.500 114.409 3.091 19694 8024 1 18 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.790 0.450 19694 8025 1 18 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.403 -1.063 19694 8026 1 18 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.233 2.617 19694 8027 1 18 . 1 1 19 19 TYR H H 19 7.610 7.610 7.894 -0.284 19694 8028 1 18 . 1 1 20 20 ILE N N 20 121.430 121.430 121.909 -0.479 19694 8029 1 18 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.253 -0.116 19694 8030 1 18 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.142 -0.133 19694 8031 1 18 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.498 1.073 19694 8032 1 18 . 1 1 20 20 ILE H H 20 9.350 9.350 8.236 1.114 19694 8033 1 18 . 1 1 21 21 LEU N N 21 126.720 126.720 126.098 0.622 19694 8034 1 18 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.772 0.318 19694 8035 1 18 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.921 0.099 19694 8036 1 18 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.861 2.859 19694 8037 1 18 . 1 1 21 21 LEU H H 21 8.530 8.530 8.508 0.022 19694 8038 1 18 . 1 1 22 22 ARG N N 22 123.930 123.930 125.516 -1.586 19694 8039 1 18 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.517 -0.077 19694 8040 1 18 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.160 1.440 19694 8041 1 18 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.543 -0.263 19694 8042 1 18 . 1 1 22 22 ARG H H 22 9.080 9.080 8.858 0.222 19694 8043 1 18 . 1 1 23 23 GLU N N 23 128.500 128.500 124.784 3.716 19694 8044 1 18 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.938 -0.098 19694 8045 1 18 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.710 0.320 19694 8046 1 18 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.846 -0.646 19694 8047 1 18 . 1 1 23 23 GLU H H 23 9.610 9.610 8.994 0.616 19694 8048 1 18 . 1 1 24 24 GLU N N 24 110.300 110.300 113.398 -3.098 19694 8049 1 18 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.938 -0.158 19694 8050 1 18 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.219 1.101 19694 8051 1 18 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.198 0.022 19694 8052 1 18 . 1 1 24 24 GLU H H 24 8.660 8.660 8.656 0.004 19694 8053 1 18 . 1 1 25 25 SER N N 25 117.700 117.700 113.119 4.581 19694 8054 1 18 . 1 1 25 25 SER HA H 25 4.890 4.890 4.818 0.072 19694 8055 1 18 . 1 1 25 25 SER CA C 25 56.540 56.540 55.446 1.094 19694 8056 1 18 . 1 1 25 25 SER CB C 25 64.720 64.720 64.993 -0.273 19694 8057 1 18 . 1 1 25 25 SER H H 25 7.900 7.900 7.707 0.193 19694 8058 1 18 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.842 0.153 19694 8059 1 18 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.024 -1.274 19694 8060 1 18 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.694 0.966 19694 8061 1 18 . 1 1 27 27 TYR N N 27 118.100 118.100 123.617 -5.517 19694 8062 1 18 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.979 0.931 19694 8063 1 18 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.846 1.984 19694 8064 1 18 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.539 0.271 19694 8065 1 18 . 1 1 27 27 TYR H H 27 9.040 9.040 8.690 0.350 19694 8066 1 18 . 1 1 28 28 CYS N N 28 122.230 122.230 119.436 2.794 19694 8067 1 18 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.677 0.173 19694 8068 1 18 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.411 -0.301 19694 8069 1 18 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.227 1.303 19694 8070 1 18 . 1 1 28 28 CYS H H 28 9.850 9.850 8.374 1.476 19694 8071 1 18 . 1 1 29 29 VAL N N 29 118.200 118.200 122.732 -4.532 19694 8072 1 18 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.687 -0.037 19694 8073 1 18 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.542 0.858 19694 8074 1 18 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.024 0.836 19694 8075 1 18 . 1 1 29 29 VAL H H 29 8.430 8.430 9.062 -0.632 19694 8076 1 18 . 1 1 30 30 VAL N N 30 119.570 119.570 119.073 0.497 19694 8077 1 18 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.564 0.296 19694 8078 1 18 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.164 0.286 19694 8079 1 18 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.108 0.433 19694 8080 1 18 . 1 1 30 30 VAL H H 30 7.700 7.700 8.250 -0.550 19694 8081 1 18 . 1 1 31 31 CYS N N 31 125.890 125.890 119.232 6.658 19694 8082 1 18 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.888 -0.058 19694 8083 1 18 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.249 1.601 19694 8084 1 18 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.484 4.026 19694 8085 1 18 . 1 1 31 31 CYS H H 31 9.050 9.050 7.676 1.374 19694 8086 1 18 . 1 1 32 32 PHE N N 32 119.000 119.000 119.289 -0.289 19694 8087 1 18 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.661 0.119 19694 8088 1 18 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.758 0.852 19694 8089 1 18 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.025 0.895 19694 8090 1 18 . 1 1 32 32 PHE H H 32 9.080 9.080 7.871 1.209 19694 8091 1 18 . 1 1 33 33 GLU N N 33 117.470 117.470 118.163 -0.693 19694 8092 1 18 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.040 -0.280 19694 8093 1 18 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.399 -0.189 19694 8094 1 18 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.222 0.258 19694 8095 1 18 . 1 1 33 33 GLU H H 33 8.510 8.510 8.210 0.300 19694 8096 1 18 . 1 1 34 34 THR N N 34 114.140 114.140 115.422 -1.282 19694 8097 1 18 . 1 1 34 34 THR HA H 34 3.730 3.730 3.896 -0.166 19694 8098 1 18 . 1 1 34 34 THR CA C 34 65.890 65.890 66.081 -0.191 19694 8099 1 18 . 1 1 34 34 THR CB C 34 69.210 69.210 68.729 0.481 19694 8100 1 18 . 1 1 34 34 THR H H 34 7.880 7.880 8.287 -0.407 19694 8101 1 18 . 1 1 35 35 LEU N N 35 117.980 117.980 119.037 -1.057 19694 8102 1 18 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.894 -0.244 19694 8103 1 18 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.254 -0.394 19694 8104 1 18 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.739 0.131 19694 8105 1 18 . 1 1 35 35 LEU H H 35 7.660 7.660 7.955 -0.295 19694 8106 1 18 . 1 1 36 36 PHE N N 36 113.900 113.900 113.790 0.110 19694 8107 1 18 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.576 0.021 19694 8108 1 18 . 1 1 36 36 PHE CA C 36 56.860 56.860 55.923 0.937 19694 8109 1 18 . 1 1 36 36 PHE CB C 36 40.570 40.570 37.653 2.917 19694 8110 1 18 . 1 1 36 36 PHE H H 36 7.730 7.730 6.765 0.965 19694 8111 1 18 . 1 1 37 37 ALA N N 37 121.920 121.920 123.650 -1.730 19694 8112 1 18 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.078 -0.008 19694 8113 1 18 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.416 0.484 19694 8114 1 18 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.593 0.177 19694 8115 1 18 . 1 1 37 37 ALA H H 37 7.090 7.090 7.883 -0.793 19694 8116 1 18 . 1 1 38 38 ASN N N 38 119.230 119.230 118.748 0.482 19694 8117 1 18 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.686 -0.236 19694 8118 1 18 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.631 0.219 19694 8119 1 18 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.633 -0.683 19694 8120 1 18 . 1 1 38 38 ASN H H 38 8.790 8.790 8.208 0.582 19694 8121 1 18 . 1 1 39 39 THR N N 39 116.330 116.330 116.039 0.291 19694 8122 1 18 . 1 1 39 39 THR HA H 39 3.990 3.990 4.333 -0.343 19694 8123 1 18 . 1 1 39 39 THR CA C 39 62.130 62.130 62.334 -0.204 19694 8124 1 18 . 1 1 39 39 THR CB C 39 69.920 69.920 69.643 0.277 19694 8125 1 18 . 1 1 39 39 THR H H 39 8.540 8.540 8.198 0.342 19694 8126 1 18 . 1 1 40 40 CYS N N 40 126.950 126.950 127.915 -0.965 19694 8127 1 18 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.429 -0.129 19694 8128 1 18 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.116 1.234 19694 8129 1 18 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.751 4.849 19694 8130 1 18 . 1 1 40 40 CYS H H 40 7.940 7.940 8.426 -0.486 19694 8131 1 18 . 1 1 41 41 GLU N N 41 130.560 130.560 127.524 3.036 19694 8132 1 18 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.844 -0.154 19694 8133 1 18 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.107 -0.507 19694 8134 1 18 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.428 1.032 19694 8135 1 18 . 1 1 41 41 GLU H H 41 8.810 8.810 8.670 0.140 19694 8136 1 18 . 1 1 42 42 GLU N N 42 119.680 119.680 118.464 1.216 19694 8137 1 18 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.329 0.241 19694 8138 1 18 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.088 -0.088 19694 8139 1 18 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.540 1.140 19694 8140 1 18 . 1 1 42 42 GLU H H 42 8.500 8.500 8.083 0.417 19694 8141 1 18 . 1 1 43 43 CYS N N 43 115.600 115.600 116.322 -0.722 19694 8142 1 18 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.610 0.400 19694 8143 1 18 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.108 -1.298 19694 8144 1 18 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.030 2.550 19694 8145 1 18 . 1 1 43 43 CYS H H 43 8.120 8.120 8.022 0.098 19694 8146 1 18 . 1 1 44 44 GLY N N 44 112.100 112.100 106.841 5.259 19694 8147 1 18 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.371 1.049 19694 8148 1 18 . 1 1 44 44 GLY H H 44 7.900 7.900 8.550 -0.650 19694 8149 1 18 . 1 1 45 45 LYS N N 45 121.210 121.210 121.941 -0.731 19694 8150 1 18 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.648 0.192 19694 8151 1 18 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.940 1.421 19694 8152 1 18 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.933 -0.503 19694 8153 1 18 . 1 1 45 45 LYS H H 45 8.180 8.180 7.860 0.320 19694 8154 1 18 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.584 -0.107 19694 8155 1 18 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.020 -0.320 19694 8156 1 18 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.085 0.405 19694 8157 1 18 . 1 1 47 47 ILE N N 47 125.280 125.280 123.140 2.140 19694 8158 1 18 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.299 -0.469 19694 8159 1 18 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.671 0.369 19694 8160 1 18 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.654 -0.214 19694 8161 1 18 . 1 1 47 47 ILE H H 47 8.540 8.540 8.882 -0.342 19694 8162 1 18 . 1 1 48 48 GLY N N 48 114.120 114.120 114.320 -0.200 19694 8163 1 18 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.716 0.524 19694 8164 1 18 . 1 1 48 48 GLY H H 48 8.660 8.660 8.554 0.106 19694 8165 1 18 . 1 1 49 49 CYS N N 49 117.140 117.140 118.294 -1.154 19694 8166 1 18 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.410 -0.130 19694 8167 1 18 . 1 1 49 49 CYS CA C 49 60.880 60.880 58.786 2.094 19694 8168 1 18 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.589 0.061 19694 8169 1 18 . 1 1 49 49 CYS H H 49 9.210 9.210 8.946 0.264 19694 8170 1 18 . 1 1 50 50 ASP N N 50 119.300 119.300 121.111 -1.811 19694 8171 1 18 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.623 -0.003 19694 8172 1 18 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.148 -0.988 19694 8173 1 18 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.229 0.151 19694 8174 1 18 . 1 1 50 50 ASP H H 50 8.800 8.800 8.587 0.213 19694 8175 1 18 . 1 1 51 51 CYS N N 51 118.150 118.150 116.882 1.268 19694 8176 1 18 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.693 -0.073 19694 8177 1 18 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.986 1.044 19694 8178 1 18 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.676 -1.586 19694 8179 1 18 . 1 1 51 51 CYS H H 51 7.590 7.590 7.086 0.504 19694 8180 1 18 . 1 1 52 52 LYS N N 52 123.800 123.800 122.551 1.249 19694 8181 1 18 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.355 -0.175 19694 8182 1 18 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.110 1.130 19694 8183 1 18 . 1 1 52 52 LYS CB C 52 33.030 33.030 30.588 2.442 19694 8184 1 18 . 1 1 52 52 LYS H H 52 8.600 8.600 8.463 0.137 19694 8185 1 18 . 1 1 53 53 ASP N N 53 124.900 124.900 123.756 1.144 19694 8186 1 18 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.744 -0.514 19694 8187 1 18 . 1 1 53 53 ASP CA C 53 53.130 53.130 52.637 0.493 19694 8188 1 18 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.774 1.456 19694 8189 1 18 . 1 1 53 53 ASP H H 53 8.250 8.250 8.350 -0.100 19694 8190 1 18 . 1 1 54 54 LEU N N 54 130.160 130.160 124.725 5.435 19694 8191 1 18 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.594 -0.154 19694 8192 1 18 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.097 -1.757 19694 8193 1 18 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.203 -2.033 19694 8194 1 18 . 1 1 54 54 LEU H H 54 8.670 8.670 9.011 -0.341 19694 8195 1 18 . 1 1 55 55 SER N N 55 113.820 113.820 121.963 -8.143 19694 8196 1 18 . 1 1 55 55 SER HA H 55 5.580 5.580 5.285 0.295 19694 8197 1 18 . 1 1 55 55 SER CA C 55 55.850 55.850 57.328 -1.478 19694 8198 1 18 . 1 1 55 55 SER CB C 55 67.300 67.300 64.631 2.669 19694 8199 1 18 . 1 1 55 55 SER H H 55 8.160 8.160 8.627 -0.467 19694 8200 1 18 . 1 1 56 56 TYR N N 56 122.610 122.610 124.776 -2.166 19694 8201 1 18 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.652 -0.032 19694 8202 1 18 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.527 0.283 19694 8203 1 18 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.822 -1.822 19694 8204 1 18 . 1 1 56 56 TYR H H 56 8.450 8.450 9.021 -0.571 19694 8205 1 18 . 1 1 57 57 LYS N N 57 126.020 126.020 128.369 -2.349 19694 8206 1 18 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.874 -0.404 19694 8207 1 18 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.405 0.695 19694 8208 1 18 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.039 -2.559 19694 8209 1 18 . 1 1 57 57 LYS H H 57 8.920 8.920 8.645 0.275 19694 8210 1 18 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.185 -0.355 19694 8211 1 18 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.506 -0.606 19694 8212 1 18 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.703 -0.622 19694 8213 1 18 . 1 1 58 58 ASP H H 58 8.400 8.400 8.634 -0.234 19694 8214 1 18 . 1 1 59 59 ARG N N 59 121.190 121.190 116.496 4.694 19694 8215 1 18 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.284 -0.034 19694 8216 1 18 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.250 1.330 19694 8217 1 18 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.682 -0.222 19694 8218 1 18 . 1 1 59 59 ARG H H 59 7.980 7.980 7.808 0.172 19694 8219 1 18 . 1 1 60 60 HIS N N 60 118.420 118.420 117.563 0.857 19694 8220 1 18 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.584 -0.314 19694 8221 1 18 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.003 0.007 19694 8222 1 18 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.363 -0.983 19694 8223 1 18 . 1 1 60 60 HIS H H 60 8.350 8.350 8.080 0.270 19694 8224 1 18 . 1 1 61 61 TRP N N 61 119.990 119.990 118.504 1.486 19694 8225 1 18 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.796 1.134 19694 8226 1 18 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.097 0.303 19694 8227 1 18 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.236 1.144 19694 8228 1 18 . 1 1 61 61 TRP H H 61 9.310 9.310 9.361 -0.051 19694 8229 1 18 . 1 1 62 62 HIS N N 62 117.270 117.270 121.045 -3.775 19694 8230 1 18 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.896 -0.296 19694 8231 1 18 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.110 2.100 19694 8232 1 18 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.341 0.859 19694 8233 1 18 . 1 1 62 62 HIS H H 62 8.430 8.430 9.155 -0.725 19694 8234 1 18 . 1 1 63 63 GLU N N 63 124.640 124.640 128.244 -3.604 19694 8235 1 18 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.949 -0.122 19694 8236 1 18 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.991 1.029 19694 8237 1 18 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.621 0.689 19694 8238 1 18 . 1 1 63 63 GLU H H 63 9.040 9.040 8.257 0.783 19694 8239 1 18 . 1 1 64 64 ALA N N 64 117.050 117.050 117.528 -0.478 19694 8240 1 18 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.412 -0.182 19694 8241 1 18 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.005 0.995 19694 8242 1 18 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.877 0.003 19694 8243 1 18 . 1 1 64 64 ALA H H 64 8.680 8.680 8.304 0.376 19694 8244 1 18 . 1 1 65 65 CYS N N 65 115.380 115.380 117.169 -1.789 19694 8245 1 18 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.160 0.135 19694 8246 1 18 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.278 -0.428 19694 8247 1 18 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.937 5.903 19694 8248 1 18 . 1 1 65 65 CYS H H 65 7.490 7.490 8.149 -0.659 19694 8249 1 18 . 1 1 66 66 PHE N N 66 122.020 122.020 122.961 -0.941 19694 8250 1 18 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.799 0.091 19694 8251 1 18 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.540 -1.530 19694 8252 1 18 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.244 -0.174 19694 8253 1 18 . 1 1 66 66 PHE H H 66 7.110 7.110 7.559 -0.449 19694 8254 1 18 . 1 1 67 67 HIS N N 67 121.280 121.280 121.756 -0.476 19694 8255 1 18 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.192 -0.472 19694 8256 1 18 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.293 -0.563 19694 8257 1 18 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.961 1.269 19694 8258 1 18 . 1 1 67 67 HIS H H 67 7.380 7.380 7.587 -0.207 19694 8259 1 18 . 1 1 68 68 CYS N N 68 121.590 121.590 119.337 2.253 19694 8260 1 18 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.848 -0.888 19694 8261 1 18 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.865 1.925 19694 8262 1 18 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.565 1.635 19694 8263 1 18 . 1 1 68 68 CYS H H 68 8.530 8.530 8.429 0.101 19694 8264 1 18 . 1 1 69 69 SER N N 69 126.530 126.530 120.806 5.724 19694 8265 1 18 . 1 1 69 69 SER HA H 69 4.310 4.310 4.144 0.166 19694 8266 1 18 . 1 1 69 69 SER CA C 69 61.760 61.760 60.955 0.805 19694 8267 1 18 . 1 1 69 69 SER CB C 69 64.040 64.040 63.109 0.931 19694 8268 1 18 . 1 1 69 69 SER H H 69 9.460 9.460 8.746 0.714 19694 8269 1 18 . 1 1 70 70 GLN N N 70 122.370 122.370 118.866 3.504 19694 8270 1 18 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.442 0.068 19694 8271 1 18 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.579 0.261 19694 8272 1 18 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.633 0.797 19694 8273 1 18 . 1 1 70 70 GLN H H 70 8.980 8.980 8.001 0.979 19694 8274 1 18 . 1 1 71 71 CYS N N 71 118.860 118.860 116.242 2.618 19694 8275 1 18 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.671 0.049 19694 8276 1 18 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.447 1.323 19694 8277 1 18 . 1 1 71 71 CYS CB C 71 31.910 31.910 26.950 4.960 19694 8278 1 18 . 1 1 71 71 CYS H H 71 8.220 8.220 7.756 0.464 19694 8279 1 18 . 1 1 72 72 ARG N N 72 114.380 114.380 116.229 -1.849 19694 8280 1 18 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.798 0.167 19694 8281 1 18 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.138 0.892 19694 8282 1 18 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.389 0.331 19694 8283 1 18 . 1 1 72 72 ARG H H 72 7.380 7.380 7.907 -0.527 19694 8284 1 18 . 1 1 73 73 ASN N N 73 121.480 121.480 116.069 5.411 19694 8285 1 18 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.618 0.012 19694 8286 1 18 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.996 0.114 19694 8287 1 18 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.689 -0.819 19694 8288 1 18 . 1 1 73 73 ASN H H 73 8.722 8.722 8.093 0.629 19694 8289 1 18 . 1 1 74 74 SER N N 74 114.710 114.710 118.073 -3.363 19694 8290 1 18 . 1 1 74 74 SER HA H 74 4.060 4.060 4.764 -0.704 19694 8291 1 18 . 1 1 74 74 SER CA C 74 59.357 59.357 58.483 0.874 19694 8292 1 18 . 1 1 74 74 SER CB C 74 63.300 63.300 63.017 0.283 19694 8293 1 18 . 1 1 74 74 SER H H 74 8.690 8.690 8.517 0.173 19694 8294 1 18 . 1 1 75 75 LEU N N 75 125.757 125.757 127.639 -1.882 19694 8295 1 18 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.386 -0.106 19694 8296 1 18 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.688 -1.177 19694 8297 1 18 . 1 1 75 75 LEU CB C 75 42.200 42.200 42.317 -0.117 19694 8298 1 18 . 1 1 75 75 LEU H H 75 7.970 7.970 8.054 -0.084 19694 8299 1 18 . 1 1 76 76 VAL N N 76 120.860 120.860 123.530 -2.670 19694 8300 1 18 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.854 -0.284 19694 8301 1 18 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.873 4.547 19694 8302 1 18 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.894 -4.354 19694 8303 1 18 . 1 1 76 76 VAL H H 76 7.830 7.830 7.952 -0.122 19694 8304 1 18 . 1 1 77 77 ASP N N 77 122.360 122.360 122.915 -0.555 19694 8305 1 18 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.485 -0.255 19694 8306 1 18 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.749 0.451 19694 8307 1 18 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.885 -1.505 19694 8308 1 18 . 1 1 77 77 ASP H H 77 8.910 8.910 8.492 0.418 19694 8309 1 18 . 1 1 78 78 LYS N N 78 118.100 118.100 118.385 -0.285 19694 8310 1 18 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.635 0.235 19694 8311 1 18 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.699 3.261 19694 8312 1 18 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.744 0.936 19694 8313 1 18 . 1 1 78 78 LYS H H 78 7.660 7.660 7.605 0.055 19694 8314 1 18 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.228 0.232 19694 8315 1 18 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.966 -0.446 19694 8316 1 18 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.858 0.302 19694 8317 1 18 . 1 1 80 80 PHE N N 80 114.050 114.050 117.068 -3.018 19694 8318 1 18 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.074 -0.164 19694 8319 1 18 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.078 0.982 19694 8320 1 18 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.972 0.438 19694 8321 1 18 . 1 1 80 80 PHE H H 80 7.510 7.510 7.197 0.313 19694 8322 1 18 . 1 1 81 81 ALA N N 81 123.290 123.290 123.800 -0.510 19694 8323 1 18 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.361 -0.051 19694 8324 1 18 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.403 0.048 19694 8325 1 18 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.971 2.949 19694 8326 1 18 . 1 1 81 81 ALA H H 81 9.030 9.030 8.940 0.090 19694 8327 1 18 . 1 1 82 82 ALA N N 82 122.490 122.490 129.246 -6.756 19694 8328 1 18 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.395 0.715 19694 8329 1 18 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.674 -0.574 19694 8330 1 18 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.804 2.326 19694 8331 1 18 . 1 1 82 82 ALA H H 82 8.240 8.240 8.647 -0.407 19694 8332 1 18 . 1 1 83 83 LYS N N 83 123.580 123.580 125.414 -1.834 19694 8333 1 18 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.512 -0.022 19694 8334 1 18 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.326 0.474 19694 8335 1 18 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.090 0.630 19694 8336 1 18 . 1 1 83 83 LYS H H 83 8.400 8.400 8.281 0.119 19694 8337 1 18 . 1 1 84 84 GLU N N 84 125.470 125.470 120.911 4.559 19694 8338 1 18 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.128 -0.308 19694 8339 1 18 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.192 -0.572 19694 8340 1 18 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.632 -2.422 19694 8341 1 18 . 1 1 84 84 GLU H H 84 9.320 9.320 8.733 0.587 19694 8342 1 18 . 1 1 85 85 ASP N N 85 118.550 118.550 114.482 4.068 19694 8343 1 18 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.789 -0.189 19694 8344 1 18 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.961 1.439 19694 8345 1 18 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.943 -1.543 19694 8346 1 18 . 1 1 85 85 ASP H H 85 8.730 8.730 8.323 0.407 19694 8347 1 18 . 1 1 86 86 GLN N N 86 119.050 119.050 116.696 2.354 19694 8348 1 18 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.689 -0.149 19694 8349 1 18 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.853 1.247 19694 8350 1 18 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.852 -0.742 19694 8351 1 18 . 1 1 86 86 GLN H H 86 8.170 8.170 7.593 0.577 19694 8352 1 18 . 1 1 87 87 LEU N N 87 123.110 123.110 121.348 1.762 19694 8353 1 18 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.197 -0.577 19694 8354 1 18 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.029 0.491 19694 8355 1 18 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.565 -1.865 19694 8356 1 18 . 1 1 87 87 LEU H H 87 8.490 8.490 8.529 -0.039 19694 8357 1 18 . 1 1 88 88 LEU N N 88 123.690 123.690 120.188 3.502 19694 8358 1 18 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.963 0.917 19694 8359 1 18 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.809 0.531 19694 8360 1 18 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.808 -0.618 19694 8361 1 18 . 1 1 88 88 LEU H H 88 8.930 8.930 8.329 0.601 19694 8362 1 18 . 1 1 89 89 CYS N N 89 122.270 122.270 119.701 2.569 19694 8363 1 18 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.834 -0.054 19694 8364 1 18 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.243 -1.603 19694 8365 1 18 . 1 1 89 89 CYS CB C 89 30.940 30.940 28.144 2.796 19694 8366 1 18 . 1 1 89 89 CYS H H 89 9.430 9.430 9.014 0.416 19694 8367 1 18 . 1 1 90 90 THR N N 90 110.620 110.620 117.416 -6.796 19694 8368 1 18 . 1 1 90 90 THR HA H 90 3.900 3.900 3.975 -0.075 19694 8369 1 18 . 1 1 90 90 THR CA C 90 65.460 65.460 65.955 -0.495 19694 8370 1 18 . 1 1 90 90 THR CB C 90 68.670 68.670 68.791 -0.121 19694 8371 1 18 . 1 1 90 90 THR H H 90 8.410 8.410 8.894 -0.484 19694 8372 1 18 . 1 1 91 91 ASP N N 91 123.470 123.470 122.152 1.318 19694 8373 1 18 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.641 -0.151 19694 8374 1 18 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.049 0.761 19694 8375 1 18 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.102 1.058 19694 8376 1 18 . 1 1 91 91 ASP H H 91 8.150 8.150 8.479 -0.329 19694 8377 1 18 . 1 1 92 92 CYS N N 92 123.800 123.800 119.855 3.945 19694 8378 1 18 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.257 -0.287 19694 8379 1 18 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.808 2.292 19694 8380 1 18 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.898 4.192 19694 8381 1 18 . 1 1 92 92 CYS H H 92 8.580 8.580 7.621 0.959 19694 8382 1 18 . 1 1 93 93 TYR N N 93 120.730 120.730 120.634 0.096 19694 8383 1 18 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.049 0.091 19694 8384 1 18 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.594 -1.214 19694 8385 1 18 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.240 1.060 19694 8386 1 18 . 1 1 93 93 TYR H H 93 8.540 8.540 9.152 -0.612 19694 8387 1 18 . 1 1 94 94 SER N N 94 115.010 115.010 113.772 1.238 19694 8388 1 18 . 1 1 94 94 SER HA H 94 4.220 4.220 4.122 0.098 19694 8389 1 18 . 1 1 94 94 SER CA C 94 59.300 59.300 61.852 -2.552 19694 8390 1 18 . 1 1 94 94 SER CB C 94 63.660 63.660 62.823 0.837 19694 8391 1 18 . 1 1 94 94 SER H H 94 7.750 7.750 8.073 -0.323 19694 8392 1 18 . 1 1 95 95 ASN N N 95 119.820 119.820 117.177 2.643 19694 8393 1 18 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.515 -0.005 19694 8394 1 18 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.558 -1.678 19694 8395 1 18 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.689 0.611 19694 8396 1 18 . 1 1 95 95 ASN H H 95 7.780 7.780 7.767 0.013 19694 8397 1 18 . 1 1 96 96 GLU N N 96 119.820 119.820 117.866 1.954 19694 8398 1 18 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.140 -0.044 19694 8399 1 18 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.414 -0.504 19694 8400 1 18 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.865 0.355 19694 8401 1 18 . 1 1 96 96 GLU H H 96 7.950 7.950 8.019 -0.069 19694 8402 1 18 . 1 1 97 97 TYR N N 97 120.370 120.370 120.161 0.209 19694 8403 1 18 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.228 0.392 19694 8404 1 18 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.014 -1.314 19694 8405 1 18 . 1 1 97 97 TYR CB C 97 38.710 38.710 39.101 -0.391 19694 8406 1 18 . 1 1 97 97 TYR H H 97 8.070 8.070 8.118 -0.048 19694 8407 1 19 . 1 1 2 2 THR N N 2 113.570 113.570 116.265 -2.695 19694 8408 1 19 . 1 1 2 2 THR HA H 2 4.240 4.240 4.183 0.057 19694 8409 1 19 . 1 1 2 2 THR CA C 2 62.130 62.130 63.150 -1.020 19694 8410 1 19 . 1 1 2 2 THR CB C 2 69.250 69.250 68.943 0.307 19694 8411 1 19 . 1 1 2 2 THR H H 2 8.090 8.090 8.268 -0.178 19694 8412 1 19 . 1 1 3 3 GLU N N 3 122.880 122.880 120.368 2.512 19694 8413 1 19 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.259 0.021 19694 8414 1 19 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.507 0.353 19694 8415 1 19 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.299 0.271 19694 8416 1 19 . 1 1 3 3 GLU H H 3 8.280 8.280 8.092 0.188 19694 8417 1 19 . 1 1 4 4 ARG N N 4 121.330 121.330 119.365 1.965 19694 8418 1 19 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.561 -0.261 19694 8419 1 19 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.070 0.800 19694 8420 1 19 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.783 0.857 19694 8421 1 19 . 1 1 4 4 ARG H H 4 8.280 8.280 8.555 -0.275 19694 8422 1 19 . 1 1 5 5 PHE N N 5 125.490 125.490 125.092 0.398 19694 8423 1 19 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.570 0.040 19694 8424 1 19 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.573 -0.193 19694 8425 1 19 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.458 0.102 19694 8426 1 19 . 1 1 5 5 PHE H H 5 8.290 8.290 8.809 -0.519 19694 8427 1 19 . 1 1 6 6 ASP N N 6 123.260 123.260 121.394 1.866 19694 8428 1 19 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.828 0.217 19694 8429 1 19 . 1 1 6 6 ASP CA C 6 52.180 52.180 53.315 -1.135 19694 8430 1 19 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.514 -0.304 19694 8431 1 19 . 1 1 6 6 ASP H H 6 7.940 7.940 7.574 0.366 19694 8432 1 19 . 1 1 7 7 CYS N N 7 121.440 121.440 123.174 -1.734 19694 8433 1 19 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.452 -0.492 19694 8434 1 19 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.675 0.145 19694 8435 1 19 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.296 4.654 19694 8436 1 19 . 1 1 7 7 CYS H H 7 8.700 8.700 8.620 0.080 19694 8437 1 19 . 1 1 8 8 HIS N N 8 129.390 129.390 130.192 -0.802 19694 8438 1 19 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.246 -0.046 19694 8439 1 19 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.767 -1.527 19694 8440 1 19 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.018 -0.538 19694 8441 1 19 . 1 1 8 8 HIS H H 8 9.160 9.160 9.631 -0.471 19694 8442 1 19 . 1 1 9 9 HIS N N 9 118.740 118.740 117.663 1.077 19694 8443 1 19 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.583 0.297 19694 8444 1 19 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.201 1.479 19694 8445 1 19 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.410 0.630 19694 8446 1 19 . 1 1 9 9 HIS H H 9 9.270 9.270 8.081 1.189 19694 8447 1 19 . 1 1 10 10 CYS N N 10 118.600 118.600 117.366 1.234 19694 8448 1 19 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.431 0.169 19694 8449 1 19 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.090 0.510 19694 8450 1 19 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.853 4.477 19694 8451 1 19 . 1 1 10 10 CYS H H 10 8.550 8.550 7.854 0.696 19694 8452 1 19 . 1 1 11 11 ASN N N 11 116.220 116.220 118.327 -2.107 19694 8453 1 19 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.367 0.043 19694 8454 1 19 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.591 1.049 19694 8455 1 19 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.829 0.371 19694 8456 1 19 . 1 1 11 11 ASN H H 11 7.690 7.690 8.665 -0.975 19694 8457 1 19 . 1 1 12 12 GLU N N 12 120.330 120.330 117.897 2.433 19694 8458 1 19 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.520 -0.300 19694 8459 1 19 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.199 1.501 19694 8460 1 19 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.730 0.180 19694 8461 1 19 . 1 1 12 12 GLU H H 12 8.210 8.210 7.752 0.458 19694 8462 1 19 . 1 1 13 13 SER N N 13 116.190 116.190 119.125 -2.935 19694 8463 1 19 . 1 1 13 13 SER HA H 13 4.060 4.060 4.411 -0.351 19694 8464 1 19 . 1 1 13 13 SER CA C 13 59.350 59.350 58.422 0.928 19694 8465 1 19 . 1 1 13 13 SER CB C 13 63.820 63.820 63.631 0.189 19694 8466 1 19 . 1 1 13 13 SER H H 13 8.520 8.520 8.628 -0.108 19694 8467 1 19 . 1 1 14 14 LEU N N 14 126.060 126.060 124.260 1.800 19694 8468 1 19 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.339 -0.029 19694 8469 1 19 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.755 -1.655 19694 8470 1 19 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.565 0.635 19694 8471 1 19 . 1 1 14 14 LEU H H 14 8.910 8.910 7.841 1.069 19694 8472 1 19 . 1 1 15 15 PHE N N 15 120.660 120.660 121.122 -0.462 19694 8473 1 19 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.617 -0.137 19694 8474 1 19 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.272 4.128 19694 8475 1 19 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.010 0.120 19694 8476 1 19 . 1 1 15 15 PHE H H 15 7.820 7.820 8.620 -0.800 19694 8477 1 19 . 1 1 16 16 GLY N N 16 114.730 114.730 110.938 3.792 19694 8478 1 19 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.812 0.088 19694 8479 1 19 . 1 1 16 16 GLY H H 16 8.860 8.860 8.810 0.050 19694 8480 1 19 . 1 1 17 17 LYS N N 17 119.580 119.580 119.840 -0.260 19694 8481 1 19 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.481 -0.001 19694 8482 1 19 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.560 -0.100 19694 8483 1 19 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.024 1.776 19694 8484 1 19 . 1 1 17 17 LYS H H 17 8.030 8.030 7.268 0.762 19694 8485 1 19 . 1 1 18 18 LYS N N 18 120.330 120.330 122.039 -1.709 19694 8486 1 19 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.341 -0.061 19694 8487 1 19 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.566 -0.765 19694 8488 1 19 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.033 -0.023 19694 8489 1 19 . 1 1 18 18 LYS H H 18 8.190 8.190 8.543 -0.353 19694 8490 1 19 . 1 1 19 19 TYR N N 19 117.500 117.500 114.475 3.025 19694 8491 1 19 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.781 0.459 19694 8492 1 19 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.423 -1.083 19694 8493 1 19 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.197 2.654 19694 8494 1 19 . 1 1 19 19 TYR H H 19 7.610 7.610 7.884 -0.274 19694 8495 1 19 . 1 1 20 20 ILE N N 20 121.430 121.430 121.881 -0.451 19694 8496 1 19 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.261 -0.124 19694 8497 1 19 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.146 -0.136 19694 8498 1 19 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.590 0.980 19694 8499 1 19 . 1 1 20 20 ILE H H 20 9.350 9.350 8.268 1.082 19694 8500 1 19 . 1 1 21 21 LEU N N 21 126.720 126.720 126.114 0.606 19694 8501 1 19 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.749 0.341 19694 8502 1 19 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.932 0.088 19694 8503 1 19 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.824 2.896 19694 8504 1 19 . 1 1 21 21 LEU H H 21 8.530 8.530 8.517 0.013 19694 8505 1 19 . 1 1 22 22 ARG N N 22 123.930 123.930 125.423 -1.493 19694 8506 1 19 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.530 -0.090 19694 8507 1 19 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.019 1.581 19694 8508 1 19 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.539 -0.259 19694 8509 1 19 . 1 1 22 22 ARG H H 22 9.080 9.080 8.947 0.133 19694 8510 1 19 . 1 1 23 23 GLU N N 23 128.500 128.500 125.366 3.134 19694 8511 1 19 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.948 -0.108 19694 8512 1 19 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.616 0.414 19694 8513 1 19 . 1 1 23 23 GLU CB C 23 27.200 27.200 28.125 -0.924 19694 8514 1 19 . 1 1 23 23 GLU H H 23 9.610 9.610 9.037 0.573 19694 8515 1 19 . 1 1 24 24 GLU N N 24 110.300 110.300 113.555 -3.255 19694 8516 1 19 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.966 -0.186 19694 8517 1 19 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.347 0.973 19694 8518 1 19 . 1 1 24 24 GLU CB C 24 28.220 28.220 27.792 0.428 19694 8519 1 19 . 1 1 24 24 GLU H H 24 8.660 8.660 8.623 0.037 19694 8520 1 19 . 1 1 25 25 SER N N 25 117.700 117.700 112.996 4.704 19694 8521 1 19 . 1 1 25 25 SER HA H 25 4.890 4.890 4.793 0.097 19694 8522 1 19 . 1 1 25 25 SER CA C 25 56.540 56.540 55.531 1.009 19694 8523 1 19 . 1 1 25 25 SER CB C 25 64.720 64.720 65.431 -0.711 19694 8524 1 19 . 1 1 25 25 SER H H 25 7.900 7.900 7.862 0.038 19694 8525 1 19 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.875 0.120 19694 8526 1 19 . 1 1 26 26 PRO CA C 26 61.750 61.750 62.989 -1.239 19694 8527 1 19 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.718 0.942 19694 8528 1 19 . 1 1 27 27 TYR N N 27 118.100 118.100 123.616 -5.516 19694 8529 1 19 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.983 0.927 19694 8530 1 19 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.858 1.972 19694 8531 1 19 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.533 0.277 19694 8532 1 19 . 1 1 27 27 TYR H H 27 9.040 9.040 8.682 0.358 19694 8533 1 19 . 1 1 28 28 CYS N N 28 122.230 122.230 119.590 2.640 19694 8534 1 19 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.665 0.185 19694 8535 1 19 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.473 -0.363 19694 8536 1 19 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.151 1.379 19694 8537 1 19 . 1 1 28 28 CYS H H 28 9.850 9.850 8.365 1.485 19694 8538 1 19 . 1 1 29 29 VAL N N 29 118.200 118.200 121.997 -3.797 19694 8539 1 19 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.802 -0.152 19694 8540 1 19 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.499 0.901 19694 8541 1 19 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.101 0.759 19694 8542 1 19 . 1 1 29 29 VAL H H 29 8.430 8.430 9.005 -0.575 19694 8543 1 19 . 1 1 30 30 VAL N N 30 119.570 119.570 118.615 0.955 19694 8544 1 19 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.676 0.184 19694 8545 1 19 . 1 1 30 30 VAL CA C 30 66.450 66.450 65.773 0.677 19694 8546 1 19 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.655 0.885 19694 8547 1 19 . 1 1 30 30 VAL H H 30 7.700 7.700 7.910 -0.210 19694 8548 1 19 . 1 1 31 31 CYS N N 31 125.890 125.890 119.625 6.265 19694 8549 1 19 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.903 -0.073 19694 8550 1 19 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.267 1.583 19694 8551 1 19 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.559 3.951 19694 8552 1 19 . 1 1 31 31 CYS H H 31 9.050 9.050 7.596 1.454 19694 8553 1 19 . 1 1 32 32 PHE N N 32 119.000 119.000 119.238 -0.238 19694 8554 1 19 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.670 0.110 19694 8555 1 19 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.780 0.830 19694 8556 1 19 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.028 0.892 19694 8557 1 19 . 1 1 32 32 PHE H H 32 9.080 9.080 7.875 1.205 19694 8558 1 19 . 1 1 33 33 GLU N N 33 117.470 117.470 117.569 -0.099 19694 8559 1 19 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.050 -0.290 19694 8560 1 19 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.394 -0.184 19694 8561 1 19 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.205 0.275 19694 8562 1 19 . 1 1 33 33 GLU H H 33 8.510 8.510 7.842 0.668 19694 8563 1 19 . 1 1 34 34 THR N N 34 114.140 114.140 115.368 -1.228 19694 8564 1 19 . 1 1 34 34 THR HA H 34 3.730 3.730 3.972 -0.242 19694 8565 1 19 . 1 1 34 34 THR CA C 34 65.890 65.890 65.497 0.393 19694 8566 1 19 . 1 1 34 34 THR CB C 34 69.210 69.210 68.610 0.600 19694 8567 1 19 . 1 1 34 34 THR H H 34 7.880 7.880 8.298 -0.418 19694 8568 1 19 . 1 1 35 35 LEU N N 35 117.980 117.980 118.733 -0.753 19694 8569 1 19 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.935 -0.285 19694 8570 1 19 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.215 -0.355 19694 8571 1 19 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.776 0.094 19694 8572 1 19 . 1 1 35 35 LEU H H 35 7.660 7.660 7.758 -0.098 19694 8573 1 19 . 1 1 36 36 PHE N N 36 113.900 113.900 113.849 0.051 19694 8574 1 19 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.423 0.174 19694 8575 1 19 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.353 0.507 19694 8576 1 19 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.169 2.401 19694 8577 1 19 . 1 1 36 36 PHE H H 36 7.730 7.730 6.587 1.143 19694 8578 1 19 . 1 1 37 37 ALA N N 37 121.920 121.920 122.946 -1.026 19694 8579 1 19 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.029 0.041 19694 8580 1 19 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.364 0.536 19694 8581 1 19 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.731 0.039 19694 8582 1 19 . 1 1 37 37 ALA H H 37 7.090 7.090 7.785 -0.695 19694 8583 1 19 . 1 1 38 38 ASN N N 38 119.230 119.230 119.346 -0.116 19694 8584 1 19 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.691 -0.241 19694 8585 1 19 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.384 0.466 19694 8586 1 19 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.308 -1.358 19694 8587 1 19 . 1 1 38 38 ASN H H 38 8.790 8.790 8.299 0.491 19694 8588 1 19 . 1 1 39 39 THR N N 39 116.330 116.330 115.623 0.707 19694 8589 1 19 . 1 1 39 39 THR HA H 39 3.990 3.990 4.300 -0.310 19694 8590 1 19 . 1 1 39 39 THR CA C 39 62.130 62.130 62.451 -0.321 19694 8591 1 19 . 1 1 39 39 THR CB C 39 69.920 69.920 69.834 0.086 19694 8592 1 19 . 1 1 39 39 THR H H 39 8.540 8.540 8.282 0.258 19694 8593 1 19 . 1 1 40 40 CYS N N 40 126.950 126.950 127.968 -1.018 19694 8594 1 19 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.421 -0.121 19694 8595 1 19 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.311 1.039 19694 8596 1 19 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.853 4.747 19694 8597 1 19 . 1 1 40 40 CYS H H 40 7.940 7.940 8.520 -0.580 19694 8598 1 19 . 1 1 41 41 GLU N N 41 130.560 130.560 127.648 2.912 19694 8599 1 19 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.870 -0.180 19694 8600 1 19 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.096 -0.496 19694 8601 1 19 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.456 1.004 19694 8602 1 19 . 1 1 41 41 GLU H H 41 8.810 8.810 8.676 0.134 19694 8603 1 19 . 1 1 42 42 GLU N N 42 119.680 119.680 117.999 1.681 19694 8604 1 19 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.348 0.222 19694 8605 1 19 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.180 -0.180 19694 8606 1 19 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.607 1.073 19694 8607 1 19 . 1 1 42 42 GLU H H 42 8.500 8.500 8.159 0.341 19694 8608 1 19 . 1 1 43 43 CYS N N 43 115.600 115.600 116.171 -0.571 19694 8609 1 19 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.675 0.335 19694 8610 1 19 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.010 -1.200 19694 8611 1 19 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.777 1.803 19694 8612 1 19 . 1 1 43 43 CYS H H 43 8.120 8.120 7.925 0.195 19694 8613 1 19 . 1 1 44 44 GLY N N 44 112.100 112.100 108.815 3.285 19694 8614 1 19 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.242 1.178 19694 8615 1 19 . 1 1 44 44 GLY H H 44 7.900 7.900 8.664 -0.764 19694 8616 1 19 . 1 1 45 45 LYS N N 45 121.210 121.210 120.555 0.655 19694 8617 1 19 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.696 0.144 19694 8618 1 19 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.959 1.401 19694 8619 1 19 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.762 -0.332 19694 8620 1 19 . 1 1 45 45 LYS H H 45 8.180 8.180 7.822 0.358 19694 8621 1 19 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.515 -0.038 19694 8622 1 19 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.036 -0.336 19694 8623 1 19 . 1 1 46 46 PRO CB C 46 32.490 32.490 31.930 0.560 19694 8624 1 19 . 1 1 47 47 ILE N N 47 125.280 125.280 123.281 1.999 19694 8625 1 19 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.307 -0.477 19694 8626 1 19 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.703 0.337 19694 8627 1 19 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.499 -0.059 19694 8628 1 19 . 1 1 47 47 ILE H H 47 8.540 8.540 8.909 -0.369 19694 8629 1 19 . 1 1 48 48 GLY N N 48 114.120 114.120 113.962 0.158 19694 8630 1 19 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.569 0.671 19694 8631 1 19 . 1 1 48 48 GLY H H 48 8.660 8.660 8.457 0.203 19694 8632 1 19 . 1 1 49 49 CYS N N 49 117.140 117.140 118.710 -1.570 19694 8633 1 19 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.327 -0.047 19694 8634 1 19 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.794 1.086 19694 8635 1 19 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.572 0.078 19694 8636 1 19 . 1 1 49 49 CYS H H 49 9.210 9.210 9.042 0.168 19694 8637 1 19 . 1 1 50 50 ASP N N 50 119.300 119.300 120.554 -1.254 19694 8638 1 19 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.669 -0.049 19694 8639 1 19 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.265 -1.105 19694 8640 1 19 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.659 -0.279 19694 8641 1 19 . 1 1 50 50 ASP H H 50 8.800 8.800 8.411 0.389 19694 8642 1 19 . 1 1 51 51 CYS N N 51 118.150 118.150 116.805 1.345 19694 8643 1 19 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.668 -0.048 19694 8644 1 19 . 1 1 51 51 CYS CA C 51 58.030 58.030 56.618 1.412 19694 8645 1 19 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.659 -1.569 19694 8646 1 19 . 1 1 51 51 CYS H H 51 7.590 7.590 7.362 0.228 19694 8647 1 19 . 1 1 52 52 LYS N N 52 123.800 123.800 123.097 0.703 19694 8648 1 19 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.256 -0.076 19694 8649 1 19 . 1 1 52 52 LYS CA C 52 57.240 57.240 57.140 0.100 19694 8650 1 19 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.928 1.102 19694 8651 1 19 . 1 1 52 52 LYS H H 52 8.600 8.600 8.626 -0.026 19694 8652 1 19 . 1 1 53 53 ASP N N 53 124.900 124.900 124.026 0.874 19694 8653 1 19 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.708 -0.478 19694 8654 1 19 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.240 -0.110 19694 8655 1 19 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.019 1.211 19694 8656 1 19 . 1 1 53 53 ASP H H 53 8.250 8.250 8.336 -0.086 19694 8657 1 19 . 1 1 54 54 LEU N N 54 130.160 130.160 125.792 4.368 19694 8658 1 19 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.691 -0.251 19694 8659 1 19 . 1 1 54 54 LEU CA C 54 53.340 53.340 54.761 -1.421 19694 8660 1 19 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.428 -2.258 19694 8661 1 19 . 1 1 54 54 LEU H H 54 8.670 8.670 9.021 -0.351 19694 8662 1 19 . 1 1 55 55 SER N N 55 113.820 113.820 121.770 -7.950 19694 8663 1 19 . 1 1 55 55 SER HA H 55 5.580 5.580 5.096 0.484 19694 8664 1 19 . 1 1 55 55 SER CA C 55 55.850 55.850 56.301 -0.451 19694 8665 1 19 . 1 1 55 55 SER CB C 55 67.300 67.300 64.458 2.842 19694 8666 1 19 . 1 1 55 55 SER H H 55 8.160 8.160 8.565 -0.405 19694 8667 1 19 . 1 1 56 56 TYR N N 56 122.610 122.610 125.931 -3.321 19694 8668 1 19 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.622 -0.002 19694 8669 1 19 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.687 0.123 19694 8670 1 19 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.279 -1.279 19694 8671 1 19 . 1 1 56 56 TYR H H 56 8.450 8.450 8.738 -0.288 19694 8672 1 19 . 1 1 57 57 LYS N N 57 126.020 126.020 128.981 -2.961 19694 8673 1 19 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.900 -0.430 19694 8674 1 19 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.188 0.912 19694 8675 1 19 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.106 -2.626 19694 8676 1 19 . 1 1 57 57 LYS H H 57 8.920 8.920 8.597 0.323 19694 8677 1 19 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.220 -0.390 19694 8678 1 19 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.344 -0.444 19694 8679 1 19 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.544 -0.464 19694 8680 1 19 . 1 1 58 58 ASP H H 58 8.400 8.400 8.598 -0.198 19694 8681 1 19 . 1 1 59 59 ARG N N 59 121.190 121.190 116.037 5.153 19694 8682 1 19 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.529 -0.279 19694 8683 1 19 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.241 1.339 19694 8684 1 19 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.556 -0.096 19694 8685 1 19 . 1 1 59 59 ARG H H 59 7.980 7.980 7.418 0.562 19694 8686 1 19 . 1 1 60 60 HIS N N 60 118.420 118.420 117.503 0.917 19694 8687 1 19 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.647 -0.377 19694 8688 1 19 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.108 -0.098 19694 8689 1 19 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.483 -1.103 19694 8690 1 19 . 1 1 60 60 HIS H H 60 8.350 8.350 8.094 0.256 19694 8691 1 19 . 1 1 61 61 TRP N N 61 119.990 119.990 118.181 1.809 19694 8692 1 19 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.782 1.148 19694 8693 1 19 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.115 0.285 19694 8694 1 19 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.179 1.201 19694 8695 1 19 . 1 1 61 61 TRP H H 61 9.310 9.310 9.266 0.044 19694 8696 1 19 . 1 1 62 62 HIS N N 62 117.270 117.270 121.751 -4.481 19694 8697 1 19 . 1 1 62 62 HIS HA H 62 4.600 4.600 5.019 -0.419 19694 8698 1 19 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.136 2.074 19694 8699 1 19 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.299 0.901 19694 8700 1 19 . 1 1 62 62 HIS H H 62 8.430 8.430 9.060 -0.630 19694 8701 1 19 . 1 1 63 63 GLU N N 63 124.640 124.640 128.363 -3.723 19694 8702 1 19 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.950 -0.123 19694 8703 1 19 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.439 1.581 19694 8704 1 19 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.771 0.539 19694 8705 1 19 . 1 1 63 63 GLU H H 63 9.040 9.040 8.233 0.807 19694 8706 1 19 . 1 1 64 64 ALA N N 64 117.050 117.050 117.699 -0.649 19694 8707 1 19 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.382 -0.152 19694 8708 1 19 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.258 0.742 19694 8709 1 19 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.018 -0.138 19694 8710 1 19 . 1 1 64 64 ALA H H 64 8.680 8.680 8.321 0.359 19694 8711 1 19 . 1 1 65 65 CYS N N 65 115.380 115.380 117.113 -1.733 19694 8712 1 19 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.188 0.107 19694 8713 1 19 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.259 -0.409 19694 8714 1 19 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.826 6.014 19694 8715 1 19 . 1 1 65 65 CYS H H 65 7.490 7.490 8.187 -0.697 19694 8716 1 19 . 1 1 66 66 PHE N N 66 122.020 122.020 123.092 -1.072 19694 8717 1 19 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.807 0.083 19694 8718 1 19 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.455 -1.445 19694 8719 1 19 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.196 -0.126 19694 8720 1 19 . 1 1 66 66 PHE H H 66 7.110 7.110 7.549 -0.439 19694 8721 1 19 . 1 1 67 67 HIS N N 67 121.280 121.280 121.849 -0.569 19694 8722 1 19 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.285 -0.565 19694 8723 1 19 . 1 1 67 67 HIS CA C 67 52.730 52.730 52.947 -0.217 19694 8724 1 19 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.868 1.362 19694 8725 1 19 . 1 1 67 67 HIS H H 67 7.380 7.380 7.506 -0.126 19694 8726 1 19 . 1 1 68 68 CYS N N 68 121.590 121.590 118.920 2.670 19694 8727 1 19 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.984 -1.024 19694 8728 1 19 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.920 1.870 19694 8729 1 19 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.288 1.912 19694 8730 1 19 . 1 1 68 68 CYS H H 68 8.530 8.530 8.403 0.127 19694 8731 1 19 . 1 1 69 69 SER N N 69 126.530 126.530 120.234 6.296 19694 8732 1 19 . 1 1 69 69 SER HA H 69 4.310 4.310 4.108 0.202 19694 8733 1 19 . 1 1 69 69 SER CA C 69 61.760 61.760 60.743 1.017 19694 8734 1 19 . 1 1 69 69 SER CB C 69 64.040 64.040 63.338 0.702 19694 8735 1 19 . 1 1 69 69 SER H H 69 9.460 9.460 8.850 0.610 19694 8736 1 19 . 1 1 70 70 GLN N N 70 122.370 122.370 118.684 3.686 19694 8737 1 19 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.417 0.093 19694 8738 1 19 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.655 0.185 19694 8739 1 19 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.741 0.689 19694 8740 1 19 . 1 1 70 70 GLN H H 70 8.980 8.980 7.961 1.019 19694 8741 1 19 . 1 1 71 71 CYS N N 71 118.860 118.860 116.423 2.437 19694 8742 1 19 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.645 0.075 19694 8743 1 19 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.472 1.298 19694 8744 1 19 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.264 4.646 19694 8745 1 19 . 1 1 71 71 CYS H H 71 8.220 8.220 7.846 0.374 19694 8746 1 19 . 1 1 72 72 ARG N N 72 114.380 114.380 115.351 -0.971 19694 8747 1 19 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.847 0.118 19694 8748 1 19 . 1 1 72 72 ARG CA C 72 58.030 58.030 56.676 1.354 19694 8749 1 19 . 1 1 72 72 ARG CB C 72 27.720 27.720 26.719 1.001 19694 8750 1 19 . 1 1 72 72 ARG H H 72 7.380 7.380 7.866 -0.486 19694 8751 1 19 . 1 1 73 73 ASN N N 73 121.480 121.480 116.775 4.705 19694 8752 1 19 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.640 -0.010 19694 8753 1 19 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.779 0.331 19694 8754 1 19 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.550 -0.680 19694 8755 1 19 . 1 1 73 73 ASN H H 73 8.722 8.722 8.105 0.617 19694 8756 1 19 . 1 1 74 74 SER N N 74 114.710 114.710 118.134 -3.424 19694 8757 1 19 . 1 1 74 74 SER HA H 74 4.060 4.060 4.813 -0.753 19694 8758 1 19 . 1 1 74 74 SER CA C 74 59.357 59.357 58.374 0.983 19694 8759 1 19 . 1 1 74 74 SER CB C 74 63.300 63.300 63.069 0.231 19694 8760 1 19 . 1 1 74 74 SER H H 74 8.690 8.690 8.498 0.192 19694 8761 1 19 . 1 1 75 75 LEU N N 75 125.757 125.757 127.552 -1.795 19694 8762 1 19 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.305 -0.025 19694 8763 1 19 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.700 -1.190 19694 8764 1 19 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.785 0.415 19694 8765 1 19 . 1 1 75 75 LEU H H 75 7.970 7.970 8.139 -0.169 19694 8766 1 19 . 1 1 76 76 VAL N N 76 120.860 120.860 124.626 -3.766 19694 8767 1 19 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.852 -0.282 19694 8768 1 19 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.901 4.519 19694 8769 1 19 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.782 -3.242 19694 8770 1 19 . 1 1 76 76 VAL H H 76 7.830 7.830 8.002 -0.172 19694 8771 1 19 . 1 1 77 77 ASP N N 77 122.360 122.360 124.086 -1.726 19694 8772 1 19 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.482 -0.252 19694 8773 1 19 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.907 0.293 19694 8774 1 19 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.940 -1.560 19694 8775 1 19 . 1 1 77 77 ASP H H 77 8.910 8.910 8.415 0.495 19694 8776 1 19 . 1 1 78 78 LYS N N 78 118.100 118.100 118.372 -0.272 19694 8777 1 19 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.641 0.229 19694 8778 1 19 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.642 3.318 19694 8779 1 19 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.787 0.893 19694 8780 1 19 . 1 1 78 78 LYS H H 78 7.660 7.660 7.616 0.044 19694 8781 1 19 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.211 0.249 19694 8782 1 19 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.892 -0.372 19694 8783 1 19 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.879 0.281 19694 8784 1 19 . 1 1 80 80 PHE N N 80 114.050 114.050 116.958 -2.908 19694 8785 1 19 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.049 -0.139 19694 8786 1 19 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.046 1.014 19694 8787 1 19 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.953 0.457 19694 8788 1 19 . 1 1 80 80 PHE H H 80 7.510 7.510 7.122 0.388 19694 8789 1 19 . 1 1 81 81 ALA N N 81 123.290 123.290 123.577 -0.287 19694 8790 1 19 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.327 -0.017 19694 8791 1 19 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.341 0.109 19694 8792 1 19 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.900 3.020 19694 8793 1 19 . 1 1 81 81 ALA H H 81 9.030 9.030 8.966 0.064 19694 8794 1 19 . 1 1 82 82 ALA N N 82 122.490 122.490 129.223 -6.733 19694 8795 1 19 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.381 0.729 19694 8796 1 19 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.609 -0.509 19694 8797 1 19 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.819 2.311 19694 8798 1 19 . 1 1 82 82 ALA H H 82 8.240 8.240 8.635 -0.395 19694 8799 1 19 . 1 1 83 83 LYS N N 83 123.580 123.580 125.880 -2.300 19694 8800 1 19 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.552 -0.062 19694 8801 1 19 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.376 0.424 19694 8802 1 19 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.082 0.638 19694 8803 1 19 . 1 1 83 83 LYS H H 83 8.400 8.400 8.299 0.101 19694 8804 1 19 . 1 1 84 84 GLU N N 84 125.470 125.470 120.360 5.110 19694 8805 1 19 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.128 -0.308 19694 8806 1 19 . 1 1 84 84 GLU CA C 84 58.620 58.620 58.990 -0.370 19694 8807 1 19 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.730 -2.520 19694 8808 1 19 . 1 1 84 84 GLU H H 84 9.320 9.320 8.811 0.509 19694 8809 1 19 . 1 1 85 85 ASP N N 85 118.550 118.550 114.414 4.136 19694 8810 1 19 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.803 -0.203 19694 8811 1 19 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.887 1.513 19694 8812 1 19 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.097 -1.697 19694 8813 1 19 . 1 1 85 85 ASP H H 85 8.730 8.730 8.373 0.357 19694 8814 1 19 . 1 1 86 86 GLN N N 86 119.050 119.050 117.298 1.752 19694 8815 1 19 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.707 -0.167 19694 8816 1 19 . 1 1 86 86 GLN CA C 86 55.100 55.100 54.015 1.085 19694 8817 1 19 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.038 -0.928 19694 8818 1 19 . 1 1 86 86 GLN H H 86 8.170 8.170 7.592 0.578 19694 8819 1 19 . 1 1 87 87 LEU N N 87 123.110 123.110 121.318 1.792 19694 8820 1 19 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.183 -0.563 19694 8821 1 19 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.006 0.514 19694 8822 1 19 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.572 -1.872 19694 8823 1 19 . 1 1 87 87 LEU H H 87 8.490 8.490 8.533 -0.043 19694 8824 1 19 . 1 1 88 88 LEU N N 88 123.690 123.690 120.184 3.506 19694 8825 1 19 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.958 0.922 19694 8826 1 19 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.827 0.513 19694 8827 1 19 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.801 -0.611 19694 8828 1 19 . 1 1 88 88 LEU H H 88 8.930 8.930 8.345 0.585 19694 8829 1 19 . 1 1 89 89 CYS N N 89 122.270 122.270 119.066 3.204 19694 8830 1 19 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.855 -0.075 19694 8831 1 19 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.162 -1.522 19694 8832 1 19 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.983 2.958 19694 8833 1 19 . 1 1 89 89 CYS H H 89 9.430 9.430 9.114 0.316 19694 8834 1 19 . 1 1 90 90 THR N N 90 110.620 110.620 116.233 -5.613 19694 8835 1 19 . 1 1 90 90 THR HA H 90 3.900 3.900 3.932 -0.032 19694 8836 1 19 . 1 1 90 90 THR CA C 90 65.460 65.460 65.543 -0.083 19694 8837 1 19 . 1 1 90 90 THR CB C 90 68.670 68.670 68.711 -0.041 19694 8838 1 19 . 1 1 90 90 THR H H 90 8.410 8.410 8.875 -0.465 19694 8839 1 19 . 1 1 91 91 ASP N N 91 123.470 123.470 121.989 1.481 19694 8840 1 19 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.642 -0.152 19694 8841 1 19 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.390 0.420 19694 8842 1 19 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.772 0.388 19694 8843 1 19 . 1 1 91 91 ASP H H 91 8.150 8.150 8.343 -0.193 19694 8844 1 19 . 1 1 92 92 CYS N N 92 123.800 123.800 119.543 4.257 19694 8845 1 19 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.315 -0.345 19694 8846 1 19 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.144 2.956 19694 8847 1 19 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.784 4.306 19694 8848 1 19 . 1 1 92 92 CYS H H 92 8.580 8.580 7.945 0.635 19694 8849 1 19 . 1 1 93 93 TYR N N 93 120.730 120.730 120.997 -0.267 19694 8850 1 19 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.081 0.059 19694 8851 1 19 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.547 -1.167 19694 8852 1 19 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.373 0.927 19694 8853 1 19 . 1 1 93 93 TYR H H 93 8.540 8.540 9.142 -0.602 19694 8854 1 19 . 1 1 94 94 SER N N 94 115.010 115.010 112.845 2.165 19694 8855 1 19 . 1 1 94 94 SER HA H 94 4.220 4.220 4.271 -0.051 19694 8856 1 19 . 1 1 94 94 SER CA C 94 59.300 59.300 61.091 -1.791 19694 8857 1 19 . 1 1 94 94 SER CB C 94 63.660 63.660 62.769 0.891 19694 8858 1 19 . 1 1 94 94 SER H H 94 7.750 7.750 8.111 -0.361 19694 8859 1 19 . 1 1 95 95 ASN N N 95 119.820 119.820 118.760 1.060 19694 8860 1 19 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.618 -0.108 19694 8861 1 19 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.149 -1.269 19694 8862 1 19 . 1 1 95 95 ASN CB C 95 39.300 39.300 39.008 0.292 19694 8863 1 19 . 1 1 95 95 ASN H H 95 7.780 7.780 7.835 -0.055 19694 8864 1 19 . 1 1 96 96 GLU N N 96 119.820 119.820 116.750 3.070 19694 8865 1 19 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.290 -0.194 19694 8866 1 19 . 1 1 96 96 GLU CA C 96 56.910 56.910 56.589 0.321 19694 8867 1 19 . 1 1 96 96 GLU CB C 96 30.220 30.220 30.151 0.069 19694 8868 1 19 . 1 1 96 96 GLU H H 96 7.950 7.950 7.744 0.206 19694 8869 1 19 . 1 1 97 97 TYR N N 97 120.370 120.370 120.473 -0.103 19694 8870 1 19 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.243 0.377 19694 8871 1 19 . 1 1 97 97 TYR CA C 97 57.700 57.700 58.581 -0.881 19694 8872 1 19 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.603 0.107 19694 8873 1 19 . 1 1 97 97 TYR H H 97 8.070 8.070 8.633 -0.563 19694 8874 1 20 . 1 1 2 2 THR N N 2 113.570 113.570 115.668 -2.098 19694 8875 1 20 . 1 1 2 2 THR HA H 2 4.240 4.240 4.320 -0.080 19694 8876 1 20 . 1 1 2 2 THR CA C 2 62.130 62.130 62.520 -0.390 19694 8877 1 20 . 1 1 2 2 THR CB C 2 69.250 69.250 69.277 -0.027 19694 8878 1 20 . 1 1 2 2 THR H H 2 8.090 8.090 8.065 0.025 19694 8879 1 20 . 1 1 3 3 GLU N N 3 122.880 122.880 120.935 1.945 19694 8880 1 20 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.193 0.087 19694 8881 1 20 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.580 0.280 19694 8882 1 20 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.248 0.322 19694 8883 1 20 . 1 1 3 3 GLU H H 3 8.280 8.280 8.064 0.216 19694 8884 1 20 . 1 1 4 4 ARG N N 4 121.330 121.330 119.493 1.837 19694 8885 1 20 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.541 -0.241 19694 8886 1 20 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.286 0.584 19694 8887 1 20 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.810 0.830 19694 8888 1 20 . 1 1 4 4 ARG H H 4 8.280 8.280 8.532 -0.252 19694 8889 1 20 . 1 1 5 5 PHE N N 5 125.490 125.490 124.876 0.614 19694 8890 1 20 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.586 0.024 19694 8891 1 20 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.371 0.009 19694 8892 1 20 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.650 -0.090 19694 8893 1 20 . 1 1 5 5 PHE H H 5 8.290 8.290 8.714 -0.424 19694 8894 1 20 . 1 1 6 6 ASP N N 6 123.260 123.260 121.851 1.409 19694 8895 1 20 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.792 0.253 19694 8896 1 20 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.947 -0.767 19694 8897 1 20 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.587 -0.377 19694 8898 1 20 . 1 1 6 6 ASP H H 6 7.940 7.940 7.631 0.309 19694 8899 1 20 . 1 1 7 7 CYS N N 7 121.440 121.440 122.784 -1.344 19694 8900 1 20 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.399 -0.439 19694 8901 1 20 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.481 0.339 19694 8902 1 20 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.353 4.597 19694 8903 1 20 . 1 1 7 7 CYS H H 7 8.700 8.700 8.636 0.064 19694 8904 1 20 . 1 1 8 8 HIS N N 8 129.390 129.390 129.978 -0.588 19694 8905 1 20 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.230 -0.030 19694 8906 1 20 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.683 -1.443 19694 8907 1 20 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.079 -0.599 19694 8908 1 20 . 1 1 8 8 HIS H H 8 9.160 9.160 9.631 -0.471 19694 8909 1 20 . 1 1 9 9 HIS N N 9 118.740 118.740 117.595 1.145 19694 8910 1 20 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.486 0.394 19694 8911 1 20 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.217 1.463 19694 8912 1 20 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.395 0.645 19694 8913 1 20 . 1 1 9 9 HIS H H 9 9.270 9.270 8.051 1.219 19694 8914 1 20 . 1 1 10 10 CYS N N 10 118.600 118.600 117.189 1.411 19694 8915 1 20 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.495 0.105 19694 8916 1 20 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.006 0.594 19694 8917 1 20 . 1 1 10 10 CYS CB C 10 32.330 32.330 28.057 4.273 19694 8918 1 20 . 1 1 10 10 CYS H H 10 8.550 8.550 7.844 0.706 19694 8919 1 20 . 1 1 11 11 ASN N N 11 116.220 116.220 118.421 -2.201 19694 8920 1 20 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.375 0.035 19694 8921 1 20 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.589 1.051 19694 8922 1 20 . 1 1 11 11 ASN CB C 11 38.200 38.200 37.822 0.378 19694 8923 1 20 . 1 1 11 11 ASN H H 11 7.690 7.690 8.661 -0.971 19694 8924 1 20 . 1 1 12 12 GLU N N 12 120.330 120.330 117.880 2.450 19694 8925 1 20 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.474 -0.254 19694 8926 1 20 . 1 1 12 12 GLU CA C 12 56.700 56.700 55.310 1.390 19694 8927 1 20 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.825 0.085 19694 8928 1 20 . 1 1 12 12 GLU H H 12 8.210 8.210 7.764 0.446 19694 8929 1 20 . 1 1 13 13 SER N N 13 116.190 116.190 119.942 -3.752 19694 8930 1 20 . 1 1 13 13 SER HA H 13 4.060 4.060 4.505 -0.445 19694 8931 1 20 . 1 1 13 13 SER CA C 13 59.350 59.350 59.029 0.321 19694 8932 1 20 . 1 1 13 13 SER CB C 13 63.820 63.820 63.517 0.303 19694 8933 1 20 . 1 1 13 13 SER H H 13 8.520 8.520 8.697 -0.177 19694 8934 1 20 . 1 1 14 14 LEU N N 14 126.060 126.060 124.220 1.840 19694 8935 1 20 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.346 -0.036 19694 8936 1 20 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.839 -1.739 19694 8937 1 20 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.474 0.726 19694 8938 1 20 . 1 1 14 14 LEU H H 14 8.910 8.910 7.716 1.194 19694 8939 1 20 . 1 1 15 15 PHE N N 15 120.660 120.660 121.158 -0.498 19694 8940 1 20 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.607 -0.127 19694 8941 1 20 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.094 4.306 19694 8942 1 20 . 1 1 15 15 PHE CB C 15 38.130 38.130 38.005 0.125 19694 8943 1 20 . 1 1 15 15 PHE H H 15 7.820 7.820 8.552 -0.732 19694 8944 1 20 . 1 1 16 16 GLY N N 16 114.730 114.730 110.945 3.785 19694 8945 1 20 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.805 0.095 19694 8946 1 20 . 1 1 16 16 GLY H H 16 8.860 8.860 8.805 0.055 19694 8947 1 20 . 1 1 17 17 LYS N N 17 119.580 119.580 119.683 -0.103 19694 8948 1 20 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.468 0.012 19694 8949 1 20 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.450 0.010 19694 8950 1 20 . 1 1 17 17 LYS CB C 17 35.800 35.800 33.910 1.891 19694 8951 1 20 . 1 1 17 17 LYS H H 17 8.030 8.030 7.212 0.818 19694 8952 1 20 . 1 1 18 18 LYS N N 18 120.330 120.330 122.466 -2.136 19694 8953 1 20 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.311 -0.031 19694 8954 1 20 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.572 -0.772 19694 8955 1 20 . 1 1 18 18 LYS CB C 18 33.010 33.010 33.269 -0.259 19694 8956 1 20 . 1 1 18 18 LYS H H 18 8.190 8.190 8.590 -0.400 19694 8957 1 20 . 1 1 19 19 TYR N N 19 117.500 117.500 114.921 2.579 19694 8958 1 20 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.805 0.435 19694 8959 1 20 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.283 -0.944 19694 8960 1 20 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.250 2.600 19694 8961 1 20 . 1 1 19 19 TYR H H 19 7.610 7.610 7.917 -0.307 19694 8962 1 20 . 1 1 20 20 ILE N N 20 121.430 121.430 121.830 -0.400 19694 8963 1 20 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.237 -0.100 19694 8964 1 20 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.105 -0.095 19694 8965 1 20 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.631 0.939 19694 8966 1 20 . 1 1 20 20 ILE H H 20 9.350 9.350 8.198 1.152 19694 8967 1 20 . 1 1 21 21 LEU N N 21 126.720 126.720 126.144 0.576 19694 8968 1 20 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.677 0.413 19694 8969 1 20 . 1 1 21 21 LEU CA C 21 54.020 54.020 53.941 0.078 19694 8970 1 20 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.758 2.962 19694 8971 1 20 . 1 1 21 21 LEU H H 21 8.530 8.530 8.506 0.024 19694 8972 1 20 . 1 1 22 22 ARG N N 22 123.930 123.930 126.214 -2.284 19694 8973 1 20 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.467 -0.027 19694 8974 1 20 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.485 1.115 19694 8975 1 20 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.055 0.225 19694 8976 1 20 . 1 1 22 22 ARG H H 22 9.080 9.080 8.874 0.206 19694 8977 1 20 . 1 1 23 23 GLU N N 23 128.500 128.500 124.513 3.987 19694 8978 1 20 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.955 -0.115 19694 8979 1 20 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.860 0.170 19694 8980 1 20 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.482 -0.282 19694 8981 1 20 . 1 1 23 23 GLU H H 23 9.610 9.610 9.007 0.603 19694 8982 1 20 . 1 1 24 24 GLU N N 24 110.300 110.300 113.475 -3.175 19694 8983 1 20 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.916 -0.136 19694 8984 1 20 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.306 1.014 19694 8985 1 20 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.376 -0.156 19694 8986 1 20 . 1 1 24 24 GLU H H 24 8.660 8.660 8.701 -0.041 19694 8987 1 20 . 1 1 25 25 SER N N 25 117.700 117.700 112.703 4.997 19694 8988 1 20 . 1 1 25 25 SER HA H 25 4.890 4.890 4.766 0.124 19694 8989 1 20 . 1 1 25 25 SER CA C 25 56.540 56.540 55.635 0.905 19694 8990 1 20 . 1 1 25 25 SER CB C 25 64.720 64.720 65.398 -0.678 19694 8991 1 20 . 1 1 25 25 SER H H 25 7.900 7.900 7.766 0.134 19694 8992 1 20 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.862 0.133 19694 8993 1 20 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.038 -1.288 19694 8994 1 20 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.649 1.011 19694 8995 1 20 . 1 1 27 27 TYR N N 27 118.100 118.100 123.624 -5.524 19694 8996 1 20 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.981 0.929 19694 8997 1 20 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.851 1.979 19694 8998 1 20 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.528 0.283 19694 8999 1 20 . 1 1 27 27 TYR H H 27 9.040 9.040 8.700 0.340 19694 9000 1 20 . 1 1 28 28 CYS N N 28 122.230 122.230 119.274 2.956 19694 9001 1 20 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.721 0.129 19694 9002 1 20 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.084 0.026 19694 9003 1 20 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.138 1.392 19694 9004 1 20 . 1 1 28 28 CYS H H 28 9.850 9.850 8.392 1.458 19694 9005 1 20 . 1 1 29 29 VAL N N 29 118.200 118.200 123.294 -5.094 19694 9006 1 20 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.646 0.004 19694 9007 1 20 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.686 0.714 19694 9008 1 20 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.536 0.324 19694 9009 1 20 . 1 1 29 29 VAL H H 29 8.430 8.430 8.954 -0.524 19694 9010 1 20 . 1 1 30 30 VAL N N 30 119.570 119.570 118.952 0.618 19694 9011 1 20 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.434 0.426 19694 9012 1 20 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.527 -0.077 19694 9013 1 20 . 1 1 30 30 VAL CB C 30 31.540 31.540 31.197 0.343 19694 9014 1 20 . 1 1 30 30 VAL H H 30 7.700 7.700 8.217 -0.517 19694 9015 1 20 . 1 1 31 31 CYS N N 31 125.890 125.890 119.215 6.675 19694 9016 1 20 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.885 -0.055 19694 9017 1 20 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.271 1.579 19694 9018 1 20 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.478 4.032 19694 9019 1 20 . 1 1 31 31 CYS H H 31 9.050 9.050 7.614 1.436 19694 9020 1 20 . 1 1 32 32 PHE N N 32 119.000 119.000 119.360 -0.360 19694 9021 1 20 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.681 0.099 19694 9022 1 20 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.759 0.851 19694 9023 1 20 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.035 0.885 19694 9024 1 20 . 1 1 32 32 PHE H H 32 9.080 9.080 7.887 1.193 19694 9025 1 20 . 1 1 33 33 GLU N N 33 117.470 117.470 118.028 -0.558 19694 9026 1 20 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.071 -0.311 19694 9027 1 20 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.531 -0.321 19694 9028 1 20 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.212 0.268 19694 9029 1 20 . 1 1 33 33 GLU H H 33 8.510 8.510 8.388 0.122 19694 9030 1 20 . 1 1 34 34 THR N N 34 114.140 114.140 115.573 -1.433 19694 9031 1 20 . 1 1 34 34 THR HA H 34 3.730 3.730 3.941 -0.211 19694 9032 1 20 . 1 1 34 34 THR CA C 34 65.890 65.890 65.967 -0.077 19694 9033 1 20 . 1 1 34 34 THR CB C 34 69.210 69.210 68.713 0.497 19694 9034 1 20 . 1 1 34 34 THR H H 34 7.880 7.880 8.339 -0.459 19694 9035 1 20 . 1 1 35 35 LEU N N 35 117.980 117.980 118.612 -0.632 19694 9036 1 20 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.943 -0.293 19694 9037 1 20 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.199 -0.339 19694 9038 1 20 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.687 0.183 19694 9039 1 20 . 1 1 35 35 LEU H H 35 7.660 7.660 7.719 -0.059 19694 9040 1 20 . 1 1 36 36 PHE N N 36 113.900 113.900 112.901 0.999 19694 9041 1 20 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.470 0.127 19694 9042 1 20 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.420 0.440 19694 9043 1 20 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.317 2.253 19694 9044 1 20 . 1 1 36 36 PHE H H 36 7.730 7.730 6.679 1.051 19694 9045 1 20 . 1 1 37 37 ALA N N 37 121.920 121.920 123.736 -1.816 19694 9046 1 20 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.121 -0.051 19694 9047 1 20 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.360 0.540 19694 9048 1 20 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.585 0.185 19694 9049 1 20 . 1 1 37 37 ALA H H 37 7.090 7.090 7.846 -0.756 19694 9050 1 20 . 1 1 38 38 ASN N N 38 119.230 119.230 119.590 -0.360 19694 9051 1 20 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.637 -0.187 19694 9052 1 20 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.728 0.122 19694 9053 1 20 . 1 1 38 38 ASN CB C 38 38.950 38.950 39.908 -0.958 19694 9054 1 20 . 1 1 38 38 ASN H H 38 8.790 8.790 8.381 0.409 19694 9055 1 20 . 1 1 39 39 THR N N 39 116.330 116.330 115.728 0.602 19694 9056 1 20 . 1 1 39 39 THR HA H 39 3.990 3.990 4.388 -0.398 19694 9057 1 20 . 1 1 39 39 THR CA C 39 62.130 62.130 62.456 -0.326 19694 9058 1 20 . 1 1 39 39 THR CB C 39 69.920 69.920 69.827 0.093 19694 9059 1 20 . 1 1 39 39 THR H H 39 8.540 8.540 8.133 0.407 19694 9060 1 20 . 1 1 40 40 CYS N N 40 126.950 126.950 128.072 -1.122 19694 9061 1 20 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.432 -0.132 19694 9062 1 20 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.189 1.161 19694 9063 1 20 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.669 4.931 19694 9064 1 20 . 1 1 40 40 CYS H H 40 7.940 7.940 8.531 -0.591 19694 9065 1 20 . 1 1 41 41 GLU N N 41 130.560 130.560 127.622 2.938 19694 9066 1 20 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.839 -0.149 19694 9067 1 20 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.128 -0.528 19694 9068 1 20 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.421 1.039 19694 9069 1 20 . 1 1 41 41 GLU H H 41 8.810 8.810 8.655 0.155 19694 9070 1 20 . 1 1 42 42 GLU N N 42 119.680 119.680 118.207 1.473 19694 9071 1 20 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.330 0.240 19694 9072 1 20 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.210 -0.210 19694 9073 1 20 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.509 1.171 19694 9074 1 20 . 1 1 42 42 GLU H H 42 8.500 8.500 8.127 0.373 19694 9075 1 20 . 1 1 43 43 CYS N N 43 115.600 115.600 116.238 -0.638 19694 9076 1 20 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.603 0.407 19694 9077 1 20 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.086 -1.276 19694 9078 1 20 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.445 2.135 19694 9079 1 20 . 1 1 43 43 CYS H H 43 8.120 8.120 7.938 0.182 19694 9080 1 20 . 1 1 44 44 GLY N N 44 112.100 112.100 107.659 4.441 19694 9081 1 20 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.188 1.232 19694 9082 1 20 . 1 1 44 44 GLY H H 44 7.900 7.900 8.636 -0.736 19694 9083 1 20 . 1 1 45 45 LYS N N 45 121.210 121.210 121.558 -0.348 19694 9084 1 20 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.687 0.153 19694 9085 1 20 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.738 1.622 19694 9086 1 20 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.805 -0.375 19694 9087 1 20 . 1 1 45 45 LYS H H 45 8.180 8.180 7.834 0.346 19694 9088 1 20 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.502 -0.025 19694 9089 1 20 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.050 -0.350 19694 9090 1 20 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.042 0.448 19694 9091 1 20 . 1 1 47 47 ILE N N 47 125.280 125.280 122.946 2.334 19694 9092 1 20 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.284 -0.454 19694 9093 1 20 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.822 0.218 19694 9094 1 20 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.944 -0.504 19694 9095 1 20 . 1 1 47 47 ILE H H 47 8.540 8.540 8.850 -0.310 19694 9096 1 20 . 1 1 48 48 GLY N N 48 114.120 114.120 113.336 0.784 19694 9097 1 20 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.568 0.672 19694 9098 1 20 . 1 1 48 48 GLY H H 48 8.660 8.660 8.623 0.037 19694 9099 1 20 . 1 1 49 49 CYS N N 49 117.140 117.140 120.909 -3.769 19694 9100 1 20 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.324 -0.044 19694 9101 1 20 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.659 1.221 19694 9102 1 20 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.987 -0.337 19694 9103 1 20 . 1 1 49 49 CYS H H 49 9.210 9.210 8.652 0.558 19694 9104 1 20 . 1 1 50 50 ASP N N 50 119.300 119.300 119.928 -0.628 19694 9105 1 20 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.604 0.016 19694 9106 1 20 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.720 -1.560 19694 9107 1 20 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.314 0.066 19694 9108 1 20 . 1 1 50 50 ASP H H 50 8.800 8.800 8.462 0.338 19694 9109 1 20 . 1 1 51 51 CYS N N 51 118.150 118.150 117.671 0.479 19694 9110 1 20 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.673 -0.053 19694 9111 1 20 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.804 0.226 19694 9112 1 20 . 1 1 51 51 CYS CB C 51 30.090 30.090 30.112 -0.022 19694 9113 1 20 . 1 1 51 51 CYS H H 51 7.590 7.590 7.454 0.136 19694 9114 1 20 . 1 1 52 52 LYS N N 52 123.800 123.800 122.262 1.538 19694 9115 1 20 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.232 -0.052 19694 9116 1 20 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.437 0.803 19694 9117 1 20 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.843 1.187 19694 9118 1 20 . 1 1 52 52 LYS H H 52 8.600 8.600 8.623 -0.023 19694 9119 1 20 . 1 1 53 53 ASP N N 53 124.900 124.900 125.404 -0.504 19694 9120 1 20 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.764 -0.534 19694 9121 1 20 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.683 -0.553 19694 9122 1 20 . 1 1 53 53 ASP CB C 53 42.230 42.230 41.957 0.273 19694 9123 1 20 . 1 1 53 53 ASP H H 53 8.250 8.250 8.246 0.004 19694 9124 1 20 . 1 1 54 54 LEU N N 54 130.160 130.160 127.452 2.708 19694 9125 1 20 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.751 -0.311 19694 9126 1 20 . 1 1 54 54 LEU CA C 54 53.340 53.340 54.221 -0.881 19694 9127 1 20 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.938 -2.768 19694 9128 1 20 . 1 1 54 54 LEU H H 54 8.670 8.670 9.137 -0.467 19694 9129 1 20 . 1 1 55 55 SER N N 55 113.820 113.820 121.229 -7.409 19694 9130 1 20 . 1 1 55 55 SER HA H 55 5.580 5.580 5.023 0.557 19694 9131 1 20 . 1 1 55 55 SER CA C 55 55.850 55.850 56.792 -0.942 19694 9132 1 20 . 1 1 55 55 SER CB C 55 67.300 67.300 64.445 2.855 19694 9133 1 20 . 1 1 55 55 SER H H 55 8.160 8.160 8.573 -0.413 19694 9134 1 20 . 1 1 56 56 TYR N N 56 122.610 122.610 125.933 -3.323 19694 9135 1 20 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.642 -0.022 19694 9136 1 20 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.437 0.374 19694 9137 1 20 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.552 -1.552 19694 9138 1 20 . 1 1 56 56 TYR H H 56 8.450 8.450 8.927 -0.477 19694 9139 1 20 . 1 1 57 57 LYS N N 57 126.020 126.020 129.150 -3.130 19694 9140 1 20 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.865 -0.395 19694 9141 1 20 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.524 0.576 19694 9142 1 20 . 1 1 57 57 LYS CB C 57 29.480 29.480 32.059 -2.579 19694 9143 1 20 . 1 1 57 57 LYS H H 57 8.920 8.920 8.725 0.195 19694 9144 1 20 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.224 -0.394 19694 9145 1 20 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.353 -0.453 19694 9146 1 20 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.828 -0.748 19694 9147 1 20 . 1 1 58 58 ASP H H 58 8.400 8.400 8.481 -0.081 19694 9148 1 20 . 1 1 59 59 ARG N N 59 121.190 121.190 115.997 5.193 19694 9149 1 20 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.625 -0.375 19694 9150 1 20 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.414 1.166 19694 9151 1 20 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.598 -0.138 19694 9152 1 20 . 1 1 59 59 ARG H H 59 7.980 7.980 7.880 0.100 19694 9153 1 20 . 1 1 60 60 HIS N N 60 118.420 118.420 117.557 0.863 19694 9154 1 20 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.647 -0.377 19694 9155 1 20 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.159 -0.149 19694 9156 1 20 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.300 -0.920 19694 9157 1 20 . 1 1 60 60 HIS H H 60 8.350 8.350 8.165 0.185 19694 9158 1 20 . 1 1 61 61 TRP N N 61 119.990 119.990 118.175 1.815 19694 9159 1 20 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.775 1.155 19694 9160 1 20 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.133 0.267 19694 9161 1 20 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.168 1.212 19694 9162 1 20 . 1 1 61 61 TRP H H 61 9.310 9.310 9.286 0.024 19694 9163 1 20 . 1 1 62 62 HIS N N 62 117.270 117.270 121.996 -4.726 19694 9164 1 20 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.832 -0.232 19694 9165 1 20 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.614 1.596 19694 9166 1 20 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.452 0.748 19694 9167 1 20 . 1 1 62 62 HIS H H 62 8.430 8.430 9.123 -0.693 19694 9168 1 20 . 1 1 63 63 GLU N N 63 124.640 124.640 128.496 -3.856 19694 9169 1 20 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.959 -0.132 19694 9170 1 20 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.548 1.472 19694 9171 1 20 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.813 0.497 19694 9172 1 20 . 1 1 63 63 GLU H H 63 9.040 9.040 8.449 0.591 19694 9173 1 20 . 1 1 64 64 ALA N N 64 117.050 117.050 117.484 -0.434 19694 9174 1 20 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.398 -0.168 19694 9175 1 20 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.237 0.763 19694 9176 1 20 . 1 1 64 64 ALA CB C 64 18.880 18.880 19.030 -0.150 19694 9177 1 20 . 1 1 64 64 ALA H H 64 8.680 8.680 8.387 0.293 19694 9178 1 20 . 1 1 65 65 CYS N N 65 115.380 115.380 117.163 -1.783 19694 9179 1 20 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.225 0.070 19694 9180 1 20 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.250 -0.400 19694 9181 1 20 . 1 1 65 65 CYS CB C 65 32.840 32.840 26.964 5.876 19694 9182 1 20 . 1 1 65 65 CYS H H 65 7.490 7.490 8.146 -0.656 19694 9183 1 20 . 1 1 66 66 PHE N N 66 122.020 122.020 123.068 -1.048 19694 9184 1 20 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.771 0.119 19694 9185 1 20 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.467 -1.457 19694 9186 1 20 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.107 -0.037 19694 9187 1 20 . 1 1 66 66 PHE H H 66 7.110 7.110 7.589 -0.479 19694 9188 1 20 . 1 1 67 67 HIS N N 67 121.280 121.280 121.740 -0.460 19694 9189 1 20 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.205 -0.485 19694 9190 1 20 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.171 -0.441 19694 9191 1 20 . 1 1 67 67 HIS CB C 67 32.230 32.230 30.837 1.393 19694 9192 1 20 . 1 1 67 67 HIS H H 67 7.380 7.380 7.429 -0.049 19694 9193 1 20 . 1 1 68 68 CYS N N 68 121.590 121.590 118.943 2.647 19694 9194 1 20 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.983 -1.023 19694 9195 1 20 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.998 1.792 19694 9196 1 20 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.337 1.863 19694 9197 1 20 . 1 1 68 68 CYS H H 68 8.530 8.530 8.340 0.190 19694 9198 1 20 . 1 1 69 69 SER N N 69 126.530 126.530 120.081 6.449 19694 9199 1 20 . 1 1 69 69 SER HA H 69 4.310 4.310 4.087 0.223 19694 9200 1 20 . 1 1 69 69 SER CA C 69 61.760 61.760 60.622 1.138 19694 9201 1 20 . 1 1 69 69 SER CB C 69 64.040 64.040 63.248 0.792 19694 9202 1 20 . 1 1 69 69 SER H H 69 9.460 9.460 8.715 0.745 19694 9203 1 20 . 1 1 70 70 GLN N N 70 122.370 122.370 117.630 4.740 19694 9204 1 20 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.408 0.102 19694 9205 1 20 . 1 1 70 70 GLN CA C 70 57.840 57.840 56.995 0.845 19694 9206 1 20 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.760 0.670 19694 9207 1 20 . 1 1 70 70 GLN H H 70 8.980 8.980 7.769 1.211 19694 9208 1 20 . 1 1 71 71 CYS N N 71 118.860 118.860 116.703 2.157 19694 9209 1 20 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.637 0.083 19694 9210 1 20 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.154 1.616 19694 9211 1 20 . 1 1 71 71 CYS CB C 71 31.910 31.910 28.011 3.899 19694 9212 1 20 . 1 1 71 71 CYS H H 71 8.220 8.220 7.796 0.424 19694 9213 1 20 . 1 1 72 72 ARG N N 72 114.380 114.380 116.119 -1.739 19694 9214 1 20 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.805 0.160 19694 9215 1 20 . 1 1 72 72 ARG CA C 72 58.030 58.030 56.867 1.163 19694 9216 1 20 . 1 1 72 72 ARG CB C 72 27.720 27.720 26.829 0.891 19694 9217 1 20 . 1 1 72 72 ARG H H 72 7.380 7.380 7.936 -0.556 19694 9218 1 20 . 1 1 73 73 ASN N N 73 121.480 121.480 116.539 4.941 19694 9219 1 20 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.620 0.010 19694 9220 1 20 . 1 1 73 73 ASN CA C 73 54.110 54.110 54.029 0.082 19694 9221 1 20 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.549 -0.679 19694 9222 1 20 . 1 1 73 73 ASN H H 73 8.722 8.722 8.107 0.615 19694 9223 1 20 . 1 1 74 74 SER N N 74 114.710 114.710 118.031 -3.321 19694 9224 1 20 . 1 1 74 74 SER HA H 74 4.060 4.060 4.752 -0.692 19694 9225 1 20 . 1 1 74 74 SER CA C 74 59.357 59.357 58.520 0.837 19694 9226 1 20 . 1 1 74 74 SER CB C 74 63.300 63.300 62.956 0.344 19694 9227 1 20 . 1 1 74 74 SER H H 74 8.690 8.690 8.517 0.173 19694 9228 1 20 . 1 1 75 75 LEU N N 75 125.757 125.757 127.648 -1.891 19694 9229 1 20 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.318 -0.038 19694 9230 1 20 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.673 -1.163 19694 9231 1 20 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.882 0.319 19694 9232 1 20 . 1 1 75 75 LEU H H 75 7.970 7.970 8.090 -0.120 19694 9233 1 20 . 1 1 76 76 VAL N N 76 120.860 120.860 124.396 -3.536 19694 9234 1 20 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.858 -0.288 19694 9235 1 20 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.978 4.441 19694 9236 1 20 . 1 1 76 76 VAL CB C 76 31.540 31.540 34.757 -3.217 19694 9237 1 20 . 1 1 76 76 VAL H H 76 7.830 7.830 8.043 -0.213 19694 9238 1 20 . 1 1 77 77 ASP N N 77 122.360 122.360 123.888 -1.528 19694 9239 1 20 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.471 -0.241 19694 9240 1 20 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.889 0.311 19694 9241 1 20 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.989 -1.609 19694 9242 1 20 . 1 1 77 77 ASP H H 77 8.910 8.910 8.444 0.466 19694 9243 1 20 . 1 1 78 78 LYS N N 78 118.100 118.100 118.451 -0.351 19694 9244 1 20 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.642 0.228 19694 9245 1 20 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.681 3.279 19694 9246 1 20 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.753 0.927 19694 9247 1 20 . 1 1 78 78 LYS H H 78 7.660 7.660 7.623 0.037 19694 9248 1 20 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.213 0.247 19694 9249 1 20 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.983 -0.463 19694 9250 1 20 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.854 0.306 19694 9251 1 20 . 1 1 80 80 PHE N N 80 114.050 114.050 117.141 -3.091 19694 9252 1 20 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.028 -0.118 19694 9253 1 20 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.103 0.957 19694 9254 1 20 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.839 0.571 19694 9255 1 20 . 1 1 80 80 PHE H H 80 7.510 7.510 7.188 0.322 19694 9256 1 20 . 1 1 81 81 ALA N N 81 123.290 123.290 123.597 -0.307 19694 9257 1 20 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.354 -0.044 19694 9258 1 20 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.389 0.061 19694 9259 1 20 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.982 2.938 19694 9260 1 20 . 1 1 81 81 ALA H H 81 9.030 9.030 8.987 0.043 19694 9261 1 20 . 1 1 82 82 ALA N N 82 122.490 122.490 128.346 -5.856 19694 9262 1 20 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.375 0.735 19694 9263 1 20 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.907 -0.807 19694 9264 1 20 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.803 2.327 19694 9265 1 20 . 1 1 82 82 ALA H H 82 8.240 8.240 8.574 -0.334 19694 9266 1 20 . 1 1 83 83 LYS N N 83 123.580 123.580 125.929 -2.349 19694 9267 1 20 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.490 -0.000 19694 9268 1 20 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.602 0.198 19694 9269 1 20 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.099 0.621 19694 9270 1 20 . 1 1 83 83 LYS H H 83 8.400 8.400 8.301 0.099 19694 9271 1 20 . 1 1 84 84 GLU N N 84 125.470 125.470 120.068 5.402 19694 9272 1 20 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.132 -0.312 19694 9273 1 20 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.144 -0.524 19694 9274 1 20 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.558 -2.348 19694 9275 1 20 . 1 1 84 84 GLU H H 84 9.320 9.320 8.669 0.651 19694 9276 1 20 . 1 1 85 85 ASP N N 85 118.550 118.550 113.996 4.554 19694 9277 1 20 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.780 -0.180 19694 9278 1 20 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.972 1.428 19694 9279 1 20 . 1 1 85 85 ASP CB C 85 40.400 40.400 41.947 -1.547 19694 9280 1 20 . 1 1 85 85 ASP H H 85 8.730 8.730 8.226 0.504 19694 9281 1 20 . 1 1 86 86 GLN N N 86 119.050 119.050 116.694 2.356 19694 9282 1 20 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.694 -0.154 19694 9283 1 20 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.954 1.146 19694 9284 1 20 . 1 1 86 86 GLN CB C 86 31.110 31.110 32.030 -0.920 19694 9285 1 20 . 1 1 86 86 GLN H H 86 8.170 8.170 7.589 0.581 19694 9286 1 20 . 1 1 87 87 LEU N N 87 123.110 123.110 121.312 1.798 19694 9287 1 20 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.204 -0.584 19694 9288 1 20 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.013 0.507 19694 9289 1 20 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.570 -1.870 19694 9290 1 20 . 1 1 87 87 LEU H H 87 8.490 8.490 8.533 -0.043 19694 9291 1 20 . 1 1 88 88 LEU N N 88 123.690 123.690 120.225 3.465 19694 9292 1 20 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.969 0.911 19694 9293 1 20 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.792 0.548 19694 9294 1 20 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.811 -0.621 19694 9295 1 20 . 1 1 88 88 LEU H H 88 8.930 8.930 8.353 0.577 19694 9296 1 20 . 1 1 89 89 CYS N N 89 122.270 122.270 119.002 3.268 19694 9297 1 20 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.816 -0.036 19694 9298 1 20 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.491 -1.851 19694 9299 1 20 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.818 3.122 19694 9300 1 20 . 1 1 89 89 CYS H H 89 9.430 9.430 9.106 0.324 19694 9301 1 20 . 1 1 90 90 THR N N 90 110.620 110.620 117.165 -6.545 19694 9302 1 20 . 1 1 90 90 THR HA H 90 3.900 3.900 3.941 -0.041 19694 9303 1 20 . 1 1 90 90 THR CA C 90 65.460 65.460 65.770 -0.310 19694 9304 1 20 . 1 1 90 90 THR CB C 90 68.670 68.670 68.856 -0.186 19694 9305 1 20 . 1 1 90 90 THR H H 90 8.410 8.410 8.880 -0.470 19694 9306 1 20 . 1 1 91 91 ASP N N 91 123.470 123.470 121.417 2.053 19694 9307 1 20 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.647 -0.157 19694 9308 1 20 . 1 1 91 91 ASP CA C 91 57.810 57.810 56.893 0.917 19694 9309 1 20 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.525 0.635 19694 9310 1 20 . 1 1 91 91 ASP H H 91 8.150 8.150 8.307 -0.157 19694 9311 1 20 . 1 1 92 92 CYS N N 92 123.800 123.800 119.620 4.180 19694 9312 1 20 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.237 -0.267 19694 9313 1 20 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.211 2.889 19694 9314 1 20 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.619 4.471 19694 9315 1 20 . 1 1 92 92 CYS H H 92 8.580 8.580 7.933 0.647 19694 9316 1 20 . 1 1 93 93 TYR N N 93 120.730 120.730 120.889 -0.159 19694 9317 1 20 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.090 0.050 19694 9318 1 20 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.277 -0.897 19694 9319 1 20 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.344 0.955 19694 9320 1 20 . 1 1 93 93 TYR H H 93 8.540 8.540 9.144 -0.604 19694 9321 1 20 . 1 1 94 94 SER N N 94 115.010 115.010 113.173 1.837 19694 9322 1 20 . 1 1 94 94 SER HA H 94 4.220 4.220 4.232 -0.012 19694 9323 1 20 . 1 1 94 94 SER CA C 94 59.300 59.300 61.290 -1.990 19694 9324 1 20 . 1 1 94 94 SER CB C 94 63.660 63.660 62.594 1.065 19694 9325 1 20 . 1 1 94 94 SER H H 94 7.750 7.750 8.083 -0.333 19694 9326 1 20 . 1 1 95 95 ASN N N 95 119.820 119.820 118.942 0.878 19694 9327 1 20 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.579 -0.069 19694 9328 1 20 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.335 -1.455 19694 9329 1 20 . 1 1 95 95 ASN CB C 95 39.300 39.300 39.048 0.252 19694 9330 1 20 . 1 1 95 95 ASN H H 95 7.780 7.780 7.849 -0.069 19694 9331 1 20 . 1 1 96 96 GLU N N 96 119.820 119.820 116.062 3.758 19694 9332 1 20 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.195 -0.099 19694 9333 1 20 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.438 -0.528 19694 9334 1 20 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.551 0.669 19694 9335 1 20 . 1 1 96 96 GLU H H 96 7.950 7.950 7.488 0.462 19694 9336 1 20 . 1 1 97 97 TYR N N 97 120.370 120.370 121.991 -1.621 19694 9337 1 20 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.000 0.620 19694 9338 1 20 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.257 -1.557 19694 9339 1 20 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.320 0.390 19694 9340 1 20 . 1 1 97 97 TYR H H 97 8.070 8.070 8.536 -0.466 19694 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 92 2.977 -0.272 2.981 19694 2 1 1 "Average Difference" HA 99 0.335 0.028 0.336 19694 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19694 4 1 1 "Average Difference" CA 96 1.284 -0.280 1.259 19694 5 1 1 "Average Difference" CB 93 1.740 -0.630 1.631 19694 6 1 1 "Average Difference" HN 93 0.549 -0.120 0.539 19694 7 1 2 "Average Difference" N 92 2.966 -0.207 2.975 19694 8 1 2 "Average Difference" HA 99 0.337 0.016 0.338 19694 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19694 10 1 2 "Average Difference" CA 96 1.238 -0.284 1.211 19694 11 1 2 "Average Difference" CB 93 1.767 -0.697 1.633 19694 12 1 2 "Average Difference" HN 93 0.535 -0.110 0.527 19694 13 1 3 "Average Difference" N 92 2.968 -0.253 2.973 19694 14 1 3 "Average Difference" HA 99 0.330 0.023 0.331 19694 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19694 16 1 3 "Average Difference" CA 96 1.204 -0.254 1.183 19694 17 1 3 "Average Difference" CB 93 1.768 -0.626 1.662 19694 18 1 3 "Average Difference" HN 93 0.543 -0.122 0.532 19694 19 1 4 "Average Difference" N 92 2.896 -0.292 2.897 19694 20 1 4 "Average Difference" HA 99 0.329 0.019 0.330 19694 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19694 22 1 4 "Average Difference" CA 96 1.228 -0.309 1.194 19694 23 1 4 "Average Difference" CB 93 1.742 -0.647 1.627 19694 24 1 4 "Average Difference" HN 93 0.546 -0.137 0.532 19694 25 1 5 "Average Difference" N 92 2.844 -0.220 2.851 19694 26 1 5 "Average Difference" HA 99 0.335 0.009 0.337 19694 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19694 28 1 5 "Average Difference" CA 96 1.185 -0.287 1.155 19694 29 1 5 "Average Difference" CB 93 1.793 -0.672 1.671 19694 30 1 5 "Average Difference" HN 93 0.556 -0.140 0.541 19694 31 1 6 "Average Difference" N 92 2.964 -0.203 2.973 19694 32 1 6 "Average Difference" HA 99 0.339 0.009 0.341 19694 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19694 34 1 6 "Average Difference" CA 96 1.242 -0.269 1.219 19694 35 1 6 "Average Difference" CB 93 1.764 -0.697 1.629 19694 36 1 6 "Average Difference" HN 93 0.547 -0.114 0.538 19694 37 1 7 "Average Difference" N 92 2.935 -0.261 2.939 19694 38 1 7 "Average Difference" HA 99 0.325 0.018 0.326 19694 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19694 40 1 7 "Average Difference" CA 96 1.232 -0.245 1.214 19694 41 1 7 "Average Difference" CB 93 1.736 -0.630 1.626 19694 42 1 7 "Average Difference" HN 93 0.543 -0.116 0.534 19694 43 1 8 "Average Difference" N 92 2.838 -0.234 2.844 19694 44 1 8 "Average Difference" HA 99 0.323 0.017 0.324 19694 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19694 46 1 8 "Average Difference" CA 96 1.211 -0.294 1.181 19694 47 1 8 "Average Difference" CB 93 1.745 -0.657 1.625 19694 48 1 8 "Average Difference" HN 93 0.544 -0.119 0.533 19694 49 1 9 "Average Difference" N 92 3.031 -0.304 3.032 19694 50 1 9 "Average Difference" HA 99 0.334 0.029 0.335 19694 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19694 52 1 9 "Average Difference" CA 96 1.232 -0.280 1.207 19694 53 1 9 "Average Difference" CB 93 1.728 -0.667 1.603 19694 54 1 9 "Average Difference" HN 93 0.540 -0.133 0.527 19694 55 1 10 "Average Difference" N 92 2.851 -0.311 2.850 19694 56 1 10 "Average Difference" HA 99 0.337 0.020 0.338 19694 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19694 58 1 10 "Average Difference" CA 96 1.278 -0.343 1.238 19694 59 1 10 "Average Difference" CB 93 1.775 -0.665 1.655 19694 60 1 10 "Average Difference" HN 93 0.533 -0.125 0.521 19694 61 1 11 "Average Difference" N 92 2.979 -0.225 2.986 19694 62 1 11 "Average Difference" HA 99 0.338 0.034 0.338 19694 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19694 64 1 11 "Average Difference" CA 96 1.242 -0.345 1.200 19694 65 1 11 "Average Difference" CB 93 1.758 -0.633 1.649 19694 66 1 11 "Average Difference" HN 93 0.553 -0.099 0.547 19694 67 1 12 "Average Difference" N 92 2.960 -0.231 2.967 19694 68 1 12 "Average Difference" HA 99 0.325 0.015 0.327 19694 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19694 70 1 12 "Average Difference" CA 96 1.257 -0.345 1.216 19694 71 1 12 "Average Difference" CB 93 1.771 -0.699 1.636 19694 72 1 12 "Average Difference" HN 93 0.547 -0.111 0.538 19694 73 1 13 "Average Difference" N 92 2.943 -0.275 2.946 19694 74 1 13 "Average Difference" HA 99 0.326 0.013 0.328 19694 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19694 76 1 13 "Average Difference" CA 96 1.214 -0.315 1.178 19694 77 1 13 "Average Difference" CB 93 1.809 -0.692 1.681 19694 78 1 13 "Average Difference" HN 93 0.549 -0.105 0.542 19694 79 1 14 "Average Difference" N 92 2.868 -0.263 2.872 19694 80 1 14 "Average Difference" HA 99 0.334 0.025 0.335 19694 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19694 82 1 14 "Average Difference" CA 96 1.218 -0.310 1.184 19694 83 1 14 "Average Difference" CB 93 1.763 -0.636 1.654 19694 84 1 14 "Average Difference" HN 93 0.542 -0.119 0.531 19694 85 1 15 "Average Difference" N 92 2.935 -0.214 2.943 19694 86 1 15 "Average Difference" HA 99 0.335 0.020 0.336 19694 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19694 88 1 15 "Average Difference" CA 96 1.253 -0.328 1.215 19694 89 1 15 "Average Difference" CB 93 1.817 -0.636 1.711 19694 90 1 15 "Average Difference" HN 93 0.541 -0.098 0.535 19694 91 1 16 "Average Difference" N 92 2.920 -0.217 2.928 19694 92 1 16 "Average Difference" HA 99 0.332 0.027 0.332 19694 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19694 94 1 16 "Average Difference" CA 96 1.273 -0.268 1.251 19694 95 1 16 "Average Difference" CB 93 1.721 -0.600 1.622 19694 96 1 16 "Average Difference" HN 93 0.545 -0.132 0.532 19694 97 1 17 "Average Difference" N 92 3.018 -0.246 3.024 19694 98 1 17 "Average Difference" HA 99 0.330 0.011 0.331 19694 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19694 100 1 17 "Average Difference" CA 96 1.269 -0.277 1.245 19694 101 1 17 "Average Difference" CB 93 1.747 -0.667 1.623 19694 102 1 17 "Average Difference" HN 93 0.554 -0.136 0.540 19694 103 1 18 "Average Difference" N 92 2.888 -0.285 2.889 19694 104 1 18 "Average Difference" HA 99 0.316 0.024 0.316 19694 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19694 106 1 18 "Average Difference" CA 96 1.261 -0.329 1.223 19694 107 1 18 "Average Difference" CB 93 1.825 -0.648 1.716 19694 108 1 18 "Average Difference" HN 93 0.542 -0.117 0.532 19694 109 1 19 "Average Difference" N 92 2.844 -0.268 2.846 19694 110 1 19 "Average Difference" HA 99 0.326 0.030 0.327 19694 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19694 112 1 19 "Average Difference" CA 96 1.215 -0.355 1.168 19694 113 1 19 "Average Difference" CB 93 1.769 -0.625 1.664 19694 114 1 19 "Average Difference" HN 93 0.537 -0.118 0.527 19694 115 1 20 "Average Difference" N 92 2.965 -0.214 2.973 19694 116 1 20 "Average Difference" HA 99 0.332 0.013 0.334 19694 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19694 118 1 20 "Average Difference" CA 96 1.208 -0.293 1.178 19694 119 1 20 "Average Difference" CB 93 1.745 -0.623 1.639 19694 120 1 20 "Average Difference" HN 93 0.543 -0.116 0.534 19694 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 19694 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR N N 2 113.570 113.570 116.116 -2.546 19694 2 1 . 1 1 2 2 THR HA H 2 4.240 4.240 4.303 -0.063 19694 3 1 . 1 1 2 2 THR CA C 2 62.130 62.130 63.012 -0.882 19694 4 1 . 1 1 2 2 THR CB C 2 69.250 69.250 69.141 0.109 19694 5 1 . 1 1 2 2 THR H H 2 8.090 8.090 8.209 -0.119 19694 6 1 . 1 1 3 3 GLU N N 3 122.880 122.880 120.649 2.231 19694 7 1 . 1 1 3 3 GLU HA H 3 4.280 4.280 4.302 -0.022 19694 8 1 . 1 1 3 3 GLU CA C 3 56.860 56.860 56.121 0.738 19694 9 1 . 1 1 3 3 GLU CB C 3 30.570 30.570 30.356 0.214 19694 10 1 . 1 1 3 3 GLU H H 3 8.280 8.280 8.058 0.222 19694 11 1 . 1 1 4 4 ARG N N 4 121.330 121.330 119.564 1.766 19694 12 1 . 1 1 4 4 ARG HA H 4 4.300 4.300 4.562 -0.262 19694 13 1 . 1 1 4 4 ARG CA C 4 55.870 55.870 55.250 0.620 19694 14 1 . 1 1 4 4 ARG CB C 4 31.640 31.640 30.815 0.825 19694 15 1 . 1 1 4 4 ARG H H 4 8.280 8.280 8.543 -0.263 19694 16 1 . 1 1 5 5 PHE N N 5 125.490 125.490 124.841 0.649 19694 17 1 . 1 1 5 5 PHE HA H 5 4.610 4.610 4.580 0.030 19694 18 1 . 1 1 5 5 PHE CA C 5 56.380 56.380 56.454 -0.074 19694 19 1 . 1 1 5 5 PHE CB C 5 39.560 39.560 39.653 -0.094 19694 20 1 . 1 1 5 5 PHE H H 5 8.290 8.290 8.738 -0.448 19694 21 1 . 1 1 6 6 ASP N N 6 123.260 123.260 121.344 1.916 19694 22 1 . 1 1 6 6 ASP HA H 6 5.045 5.045 4.799 0.246 19694 23 1 . 1 1 6 6 ASP CA C 6 52.180 52.180 52.985 -0.805 19694 24 1 . 1 1 6 6 ASP CB C 6 44.210 44.210 44.477 -0.267 19694 25 1 . 1 1 6 6 ASP H H 6 7.940 7.940 7.595 0.345 19694 26 1 . 1 1 7 7 CYS N N 7 121.440 121.440 122.709 -1.269 19694 27 1 . 1 1 7 7 CYS HA H 7 3.960 3.960 4.437 -0.477 19694 28 1 . 1 1 7 7 CYS CA C 7 59.820 59.820 59.556 0.264 19694 29 1 . 1 1 7 7 CYS CB C 7 30.950 30.950 26.190 4.760 19694 30 1 . 1 1 7 7 CYS H H 7 8.700 8.700 8.598 0.102 19694 31 1 . 1 1 8 8 HIS N N 8 129.390 129.390 129.694 -0.304 19694 32 1 . 1 1 8 8 HIS HA H 8 4.200 4.200 4.231 -0.031 19694 33 1 . 1 1 8 8 HIS CA C 8 58.240 58.240 59.560 -1.320 19694 34 1 . 1 1 8 8 HIS CB C 8 29.480 29.480 30.078 -0.598 19694 35 1 . 1 1 8 8 HIS H H 8 9.160 9.160 9.607 -0.447 19694 36 1 . 1 1 9 9 HIS N N 9 118.740 118.740 117.209 1.531 19694 37 1 . 1 1 9 9 HIS HA H 9 4.880 4.880 4.458 0.422 19694 38 1 . 1 1 9 9 HIS CA C 9 58.680 58.680 57.170 1.511 19694 39 1 . 1 1 9 9 HIS CB C 9 31.040 31.040 30.234 0.806 19694 40 1 . 1 1 9 9 HIS H H 9 9.270 9.270 8.004 1.266 19694 41 1 . 1 1 10 10 CYS N N 10 118.600 118.600 117.474 1.126 19694 42 1 . 1 1 10 10 CYS HA H 10 4.600 4.600 4.413 0.187 19694 43 1 . 1 1 10 10 CYS CA C 10 59.600 59.600 59.160 0.440 19694 44 1 . 1 1 10 10 CYS CB C 10 32.330 32.330 27.946 4.384 19694 45 1 . 1 1 10 10 CYS H H 10 8.550 8.550 7.863 0.687 19694 46 1 . 1 1 11 11 ASN N N 11 116.220 116.220 117.678 -1.458 19694 47 1 . 1 1 11 11 ASN HA H 11 4.410 4.410 4.386 0.024 19694 48 1 . 1 1 11 11 ASN CA C 11 55.640 55.640 54.484 1.156 19694 49 1 . 1 1 11 11 ASN CB C 11 38.200 38.200 36.932 1.268 19694 50 1 . 1 1 11 11 ASN H H 11 7.690 7.690 8.704 -1.014 19694 51 1 . 1 1 12 12 GLU N N 12 120.330 120.330 117.692 2.638 19694 52 1 . 1 1 12 12 GLU HA H 12 4.220 4.220 4.515 -0.295 19694 53 1 . 1 1 12 12 GLU CA C 12 56.700 56.700 54.988 1.711 19694 54 1 . 1 1 12 12 GLU CB C 12 30.910 30.910 30.878 0.032 19694 55 1 . 1 1 12 12 GLU H H 12 8.210 8.210 7.711 0.499 19694 56 1 . 1 1 13 13 SER N N 13 116.190 116.190 119.901 -3.711 19694 57 1 . 1 1 13 13 SER HA H 13 4.060 4.060 4.435 -0.375 19694 58 1 . 1 1 13 13 SER CA C 13 59.350 59.350 58.920 0.430 19694 59 1 . 1 1 13 13 SER CB C 13 63.820 63.820 63.570 0.250 19694 60 1 . 1 1 13 13 SER H H 13 8.520 8.520 8.670 -0.150 19694 61 1 . 1 1 14 14 LEU N N 14 126.060 126.060 125.394 0.666 19694 62 1 . 1 1 14 14 LEU HA H 14 4.310 4.310 4.341 -0.031 19694 63 1 . 1 1 14 14 LEU CA C 14 54.100 54.100 55.761 -1.661 19694 64 1 . 1 1 14 14 LEU CB C 14 42.200 42.200 41.618 0.582 19694 65 1 . 1 1 14 14 LEU H H 14 8.910 8.910 7.754 1.156 19694 66 1 . 1 1 15 15 PHE N N 15 120.660 120.660 121.085 -0.425 19694 67 1 . 1 1 15 15 PHE HA H 15 4.480 4.480 4.605 -0.125 19694 68 1 . 1 1 15 15 PHE CA C 15 60.400 60.400 56.326 4.074 19694 69 1 . 1 1 15 15 PHE CB C 15 38.130 38.130 37.913 0.217 19694 70 1 . 1 1 15 15 PHE H H 15 7.820 7.820 8.551 -0.731 19694 71 1 . 1 1 16 16 GLY N N 16 114.730 114.730 110.936 3.794 19694 72 1 . 1 1 16 16 GLY CA C 16 45.900 45.900 45.814 0.086 19694 73 1 . 1 1 16 16 GLY H H 16 8.860 8.860 8.771 0.089 19694 74 1 . 1 1 17 17 LYS N N 17 119.580 119.580 119.930 -0.350 19694 75 1 . 1 1 17 17 LYS HA H 17 4.480 4.480 4.488 -0.008 19694 76 1 . 1 1 17 17 LYS CA C 17 54.460 54.460 54.515 -0.055 19694 77 1 . 1 1 17 17 LYS CB C 17 35.800 35.800 34.089 1.711 19694 78 1 . 1 1 17 17 LYS H H 17 8.030 8.030 7.240 0.790 19694 79 1 . 1 1 18 18 LYS N N 18 120.330 120.330 122.114 -1.784 19694 80 1 . 1 1 18 18 LYS HA H 18 4.280 4.280 4.329 -0.049 19694 81 1 . 1 1 18 18 LYS CA C 18 56.800 56.800 57.493 -0.693 19694 82 1 . 1 1 18 18 LYS CB C 18 33.010 33.010 32.940 0.070 19694 83 1 . 1 1 18 18 LYS H H 18 8.190 8.190 8.518 -0.328 19694 84 1 . 1 1 19 19 TYR N N 19 117.500 117.500 114.754 2.746 19694 85 1 . 1 1 19 19 TYR HA H 19 5.240 5.240 4.802 0.438 19694 86 1 . 1 1 19 19 TYR CA C 19 55.340 55.340 56.349 -1.009 19694 87 1 . 1 1 19 19 TYR CB C 19 42.850 42.850 40.279 2.571 19694 88 1 . 1 1 19 19 TYR H H 19 7.610 7.610 7.882 -0.272 19694 89 1 . 1 1 20 20 ILE N N 20 121.430 121.430 121.857 -0.427 19694 90 1 . 1 1 20 20 ILE HA H 20 4.137 4.137 4.245 -0.108 19694 91 1 . 1 1 20 20 ILE CA C 20 60.010 60.010 60.111 -0.101 19694 92 1 . 1 1 20 20 ILE CB C 20 41.570 41.570 40.604 0.966 19694 93 1 . 1 1 20 20 ILE H H 20 9.350 9.350 8.239 1.111 19694 94 1 . 1 1 21 21 LEU N N 21 126.720 126.720 126.384 0.336 19694 95 1 . 1 1 21 21 LEU HA H 21 5.090 5.090 4.679 0.411 19694 96 1 . 1 1 21 21 LEU CA C 21 54.020 54.020 54.062 -0.042 19694 97 1 . 1 1 21 21 LEU CB C 21 43.720 43.720 40.716 3.004 19694 98 1 . 1 1 21 21 LEU H H 21 8.530 8.530 8.511 0.019 19694 99 1 . 1 1 22 22 ARG N N 22 123.930 123.930 125.770 -1.840 19694 100 1 . 1 1 22 22 ARG HA H 22 4.440 4.440 4.500 -0.060 19694 101 1 . 1 1 22 22 ARG CA C 22 55.600 55.600 54.084 1.516 19694 102 1 . 1 1 22 22 ARG CB C 22 32.280 32.280 32.276 0.004 19694 103 1 . 1 1 22 22 ARG H H 22 9.080 9.080 8.948 0.132 19694 104 1 . 1 1 23 23 GLU N N 23 128.500 128.500 124.523 3.977 19694 105 1 . 1 1 23 23 GLU HA H 23 3.840 3.840 3.938 -0.098 19694 106 1 . 1 1 23 23 GLU CA C 23 58.030 58.030 57.750 0.280 19694 107 1 . 1 1 23 23 GLU CB C 23 27.200 27.200 27.834 -0.634 19694 108 1 . 1 1 23 23 GLU H H 23 9.610 9.610 9.024 0.587 19694 109 1 . 1 1 24 24 GLU N N 24 110.300 110.300 113.303 -3.003 19694 110 1 . 1 1 24 24 GLU HA H 24 3.780 3.780 3.945 -0.165 19694 111 1 . 1 1 24 24 GLU CA C 24 58.320 58.320 57.375 0.945 19694 112 1 . 1 1 24 24 GLU CB C 24 28.220 28.220 28.137 0.083 19694 113 1 . 1 1 24 24 GLU H H 24 8.660 8.660 8.688 -0.028 19694 114 1 . 1 1 25 25 SER N N 25 117.700 117.700 113.033 4.667 19694 115 1 . 1 1 25 25 SER HA H 25 4.890 4.890 4.792 0.098 19694 116 1 . 1 1 25 25 SER CA C 25 56.540 56.540 55.664 0.876 19694 117 1 . 1 1 25 25 SER CB C 25 64.720 64.720 65.089 -0.369 19694 118 1 . 1 1 25 25 SER H H 25 7.900 7.900 7.785 0.115 19694 119 1 . 1 1 26 26 PRO HA H 26 4.995 4.995 4.851 0.144 19694 120 1 . 1 1 26 26 PRO CA C 26 61.750 61.750 63.075 -1.325 19694 121 1 . 1 1 26 26 PRO CB C 26 32.660 32.660 31.709 0.951 19694 122 1 . 1 1 27 27 TYR N N 27 118.100 118.100 123.716 -5.616 19694 123 1 . 1 1 27 27 TYR HA H 27 5.910 5.910 4.979 0.930 19694 124 1 . 1 1 27 27 TYR CA C 27 56.830 56.830 54.984 1.846 19694 125 1 . 1 1 27 27 TYR CB C 27 42.810 42.810 42.554 0.256 19694 126 1 . 1 1 27 27 TYR H H 27 9.040 9.040 8.751 0.289 19694 127 1 . 1 1 28 28 CYS N N 28 122.230 122.230 119.255 2.975 19694 128 1 . 1 1 28 28 CYS HA H 28 4.850 4.850 4.683 0.167 19694 129 1 . 1 1 28 28 CYS CA C 28 58.110 58.110 58.342 -0.232 19694 130 1 . 1 1 28 28 CYS CB C 28 30.530 30.530 29.137 1.393 19694 131 1 . 1 1 28 28 CYS H H 28 9.850 9.850 8.346 1.504 19694 132 1 . 1 1 29 29 VAL N N 29 118.200 118.200 122.810 -4.610 19694 133 1 . 1 1 29 29 VAL HA H 29 3.650 3.650 3.711 -0.061 19694 134 1 . 1 1 29 29 VAL CA C 29 67.400 67.400 66.817 0.583 19694 135 1 . 1 1 29 29 VAL CB C 29 31.860 31.860 31.279 0.581 19694 136 1 . 1 1 29 29 VAL H H 29 8.430 8.430 8.986 -0.556 19694 137 1 . 1 1 30 30 VAL N N 30 119.570 119.570 118.664 0.906 19694 138 1 . 1 1 30 30 VAL HA H 30 3.860 3.860 3.579 0.281 19694 139 1 . 1 1 30 30 VAL CA C 30 66.450 66.450 66.273 0.177 19694 140 1 . 1 1 30 30 VAL CB C 30 31.540 31.540 30.842 0.698 19694 141 1 . 1 1 30 30 VAL H H 30 7.700 7.700 8.099 -0.399 19694 142 1 . 1 1 31 31 CYS N N 31 125.890 125.890 119.396 6.494 19694 143 1 . 1 1 31 31 CYS HA H 31 3.830 3.830 3.900 -0.070 19694 144 1 . 1 1 31 31 CYS CA C 31 65.850 65.850 64.304 1.546 19694 145 1 . 1 1 31 31 CYS CB C 31 29.510 29.510 25.541 3.969 19694 146 1 . 1 1 31 31 CYS H H 31 9.050 9.050 7.619 1.431 19694 147 1 . 1 1 32 32 PHE N N 32 119.000 119.000 119.309 -0.309 19694 148 1 . 1 1 32 32 PHE HA H 32 3.780 3.780 3.694 0.086 19694 149 1 . 1 1 32 32 PHE CA C 32 62.610 62.610 61.792 0.818 19694 150 1 . 1 1 32 32 PHE CB C 32 39.920 39.920 39.046 0.874 19694 151 1 . 1 1 32 32 PHE H H 32 9.080 9.080 7.886 1.194 19694 152 1 . 1 1 33 33 GLU N N 33 117.470 117.470 118.074 -0.604 19694 153 1 . 1 1 33 33 GLU HA H 33 3.760 3.760 4.052 -0.292 19694 154 1 . 1 1 33 33 GLU CA C 33 59.210 59.210 59.433 -0.223 19694 155 1 . 1 1 33 33 GLU CB C 33 29.480 29.480 29.255 0.225 19694 156 1 . 1 1 33 33 GLU H H 33 8.510 8.510 8.169 0.341 19694 157 1 . 1 1 34 34 THR N N 34 114.140 114.140 115.372 -1.232 19694 158 1 . 1 1 34 34 THR HA H 34 3.730 3.730 3.943 -0.213 19694 159 1 . 1 1 34 34 THR CA C 34 65.890 65.890 65.869 0.021 19694 160 1 . 1 1 34 34 THR CB C 34 69.210 69.210 68.701 0.509 19694 161 1 . 1 1 34 34 THR H H 34 7.880 7.880 8.288 -0.408 19694 162 1 . 1 1 35 35 LEU N N 35 117.980 117.980 118.938 -0.958 19694 163 1 . 1 1 35 35 LEU HA H 35 3.650 3.650 3.938 -0.288 19694 164 1 . 1 1 35 35 LEU CA C 35 56.860 56.860 57.271 -0.411 19694 165 1 . 1 1 35 35 LEU CB C 35 41.870 41.870 41.791 0.079 19694 166 1 . 1 1 35 35 LEU H H 35 7.660 7.660 7.784 -0.124 19694 167 1 . 1 1 36 36 PHE N N 36 113.900 113.900 113.490 0.410 19694 168 1 . 1 1 36 36 PHE HA H 36 4.597 4.597 4.464 0.133 19694 169 1 . 1 1 36 36 PHE CA C 36 56.860 56.860 56.303 0.557 19694 170 1 . 1 1 36 36 PHE CB C 36 40.570 40.570 38.188 2.382 19694 171 1 . 1 1 36 36 PHE H H 36 7.730 7.730 6.666 1.064 19694 172 1 . 1 1 37 37 ALA N N 37 121.920 121.920 123.265 -1.345 19694 173 1 . 1 1 37 37 ALA HA H 37 4.070 4.070 4.073 -0.003 19694 174 1 . 1 1 37 37 ALA CA C 37 52.900 52.900 52.366 0.534 19694 175 1 . 1 1 37 37 ALA CB C 37 19.770 19.770 19.645 0.125 19694 176 1 . 1 1 37 37 ALA H H 37 7.090 7.090 7.840 -0.750 19694 177 1 . 1 1 38 38 ASN N N 38 119.230 119.230 119.268 -0.038 19694 178 1 . 1 1 38 38 ASN HA H 38 4.450 4.450 4.655 -0.205 19694 179 1 . 1 1 38 38 ASN CA C 38 52.850 52.850 52.605 0.245 19694 180 1 . 1 1 38 38 ASN CB C 38 38.950 38.950 40.017 -1.067 19694 181 1 . 1 1 38 38 ASN H H 38 8.790 8.790 8.320 0.470 19694 182 1 . 1 1 39 39 THR N N 39 116.330 116.330 115.751 0.579 19694 183 1 . 1 1 39 39 THR HA H 39 3.990 3.990 4.367 -0.377 19694 184 1 . 1 1 39 39 THR CA C 39 62.130 62.130 62.580 -0.450 19694 185 1 . 1 1 39 39 THR CB C 39 69.920 69.920 69.745 0.175 19694 186 1 . 1 1 39 39 THR H H 39 8.540 8.540 8.215 0.325 19694 187 1 . 1 1 40 40 CYS N N 40 126.950 126.950 128.062 -1.112 19694 188 1 . 1 1 40 40 CYS HA H 40 4.300 4.300 4.457 -0.157 19694 189 1 . 1 1 40 40 CYS CA C 40 58.350 58.350 57.116 1.234 19694 190 1 . 1 1 40 40 CYS CB C 40 31.600 31.600 26.672 4.928 19694 191 1 . 1 1 40 40 CYS H H 40 7.940 7.940 8.502 -0.562 19694 192 1 . 1 1 41 41 GLU N N 41 130.560 130.560 127.594 2.966 19694 193 1 . 1 1 41 41 GLU HA H 41 3.690 3.690 3.841 -0.151 19694 194 1 . 1 1 41 41 GLU CA C 41 58.600 58.600 59.123 -0.523 19694 195 1 . 1 1 41 41 GLU CB C 41 30.460 30.460 29.419 1.041 19694 196 1 . 1 1 41 41 GLU H H 41 8.810 8.810 8.662 0.148 19694 197 1 . 1 1 42 42 GLU N N 42 119.680 119.680 118.253 1.427 19694 198 1 . 1 1 42 42 GLU HA H 42 4.570 4.570 4.342 0.228 19694 199 1 . 1 1 42 42 GLU CA C 42 58.000 58.000 58.086 -0.086 19694 200 1 . 1 1 42 42 GLU CB C 42 31.680 31.680 30.582 1.098 19694 201 1 . 1 1 42 42 GLU H H 42 8.500 8.500 8.110 0.390 19694 202 1 . 1 1 43 43 CYS N N 43 115.600 115.600 116.392 -0.792 19694 203 1 . 1 1 43 43 CYS HA H 43 5.010 5.010 4.573 0.437 19694 204 1 . 1 1 43 43 CYS CA C 43 58.810 58.810 60.042 -1.232 19694 205 1 . 1 1 43 43 CYS CB C 43 31.580 31.580 29.133 2.447 19694 206 1 . 1 1 43 43 CYS H H 43 8.120 8.120 7.997 0.123 19694 207 1 . 1 1 44 44 GLY N N 44 112.100 112.100 107.454 4.646 19694 208 1 . 1 1 44 44 GLY CA C 44 46.420 46.420 45.290 1.131 19694 209 1 . 1 1 44 44 GLY H H 44 7.900 7.900 8.602 -0.702 19694 210 1 . 1 1 45 45 LYS N N 45 121.210 121.210 121.661 -0.451 19694 211 1 . 1 1 45 45 LYS HA H 45 4.840 4.840 4.703 0.137 19694 212 1 . 1 1 45 45 LYS CA C 45 54.360 54.360 52.848 1.512 19694 213 1 . 1 1 45 45 LYS CB C 45 32.430 32.430 32.805 -0.375 19694 214 1 . 1 1 45 45 LYS H H 45 8.180 8.180 7.878 0.302 19694 215 1 . 1 1 46 46 PRO HA H 46 4.477 4.477 4.547 -0.070 19694 216 1 . 1 1 46 46 PRO CA C 46 62.700 62.700 63.029 -0.329 19694 217 1 . 1 1 46 46 PRO CB C 46 32.490 32.490 32.046 0.444 19694 218 1 . 1 1 47 47 ILE N N 47 125.280 125.280 123.107 2.173 19694 219 1 . 1 1 47 47 ILE HA H 47 3.830 3.830 4.295 -0.465 19694 220 1 . 1 1 47 47 ILE CA C 47 61.040 61.040 60.741 0.299 19694 221 1 . 1 1 47 47 ILE CB C 47 37.440 37.440 37.669 -0.229 19694 222 1 . 1 1 47 47 ILE H H 47 8.540 8.540 8.884 -0.344 19694 223 1 . 1 1 48 48 GLY N N 48 114.120 114.120 113.683 0.437 19694 224 1 . 1 1 48 48 GLY CA C 48 45.240 45.240 44.686 0.554 19694 225 1 . 1 1 48 48 GLY H H 48 8.660 8.660 8.502 0.158 19694 226 1 . 1 1 49 49 CYS N N 49 117.140 117.140 120.148 -3.008 19694 227 1 . 1 1 49 49 CYS HA H 49 4.280 4.280 4.312 -0.032 19694 228 1 . 1 1 49 49 CYS CA C 49 60.880 60.880 59.864 1.016 19694 229 1 . 1 1 49 49 CYS CB C 49 27.650 27.650 27.665 -0.015 19694 230 1 . 1 1 49 49 CYS H H 49 9.210 9.210 8.886 0.324 19694 231 1 . 1 1 50 50 ASP N N 50 119.300 119.300 120.328 -1.028 19694 232 1 . 1 1 50 50 ASP HA H 50 4.620 4.620 4.641 -0.021 19694 233 1 . 1 1 50 50 ASP CA C 50 54.160 54.160 55.186 -1.025 19694 234 1 . 1 1 50 50 ASP CB C 50 40.380 40.380 40.250 0.130 19694 235 1 . 1 1 50 50 ASP H H 50 8.800 8.800 8.413 0.387 19694 236 1 . 1 1 51 51 CYS N N 51 118.150 118.150 117.030 1.120 19694 237 1 . 1 1 51 51 CYS HA H 51 4.620 4.620 4.688 -0.068 19694 238 1 . 1 1 51 51 CYS CA C 51 58.030 58.030 57.138 0.892 19694 239 1 . 1 1 51 51 CYS CB C 51 30.090 30.090 31.597 -1.507 19694 240 1 . 1 1 51 51 CYS H H 51 7.590 7.590 7.402 0.189 19694 241 1 . 1 1 52 52 LYS N N 52 123.800 123.800 122.840 0.960 19694 242 1 . 1 1 52 52 LYS HA H 52 4.180 4.180 4.316 -0.136 19694 243 1 . 1 1 52 52 LYS CA C 52 57.240 57.240 56.364 0.876 19694 244 1 . 1 1 52 52 LYS CB C 52 33.030 33.030 31.394 1.636 19694 245 1 . 1 1 52 52 LYS H H 52 8.600 8.600 8.552 0.048 19694 246 1 . 1 1 53 53 ASP N N 53 124.900 124.900 124.062 0.838 19694 247 1 . 1 1 53 53 ASP HA H 53 4.230 4.230 4.710 -0.480 19694 248 1 . 1 1 53 53 ASP CA C 53 53.130 53.130 53.084 0.046 19694 249 1 . 1 1 53 53 ASP CB C 53 42.230 42.230 40.864 1.366 19694 250 1 . 1 1 53 53 ASP H H 53 8.250 8.250 8.352 -0.102 19694 251 1 . 1 1 54 54 LEU N N 54 130.160 130.160 125.551 4.609 19694 252 1 . 1 1 54 54 LEU HA H 54 4.440 4.440 4.597 -0.157 19694 253 1 . 1 1 54 54 LEU CA C 54 53.340 53.340 55.226 -1.886 19694 254 1 . 1 1 54 54 LEU CB C 54 41.170 41.170 43.157 -1.987 19694 255 1 . 1 1 54 54 LEU H H 54 8.670 8.670 8.938 -0.267 19694 256 1 . 1 1 55 55 SER N N 55 113.820 113.820 121.248 -7.428 19694 257 1 . 1 1 55 55 SER HA H 55 5.580 5.580 5.149 0.431 19694 258 1 . 1 1 55 55 SER CA C 55 55.850 55.850 56.602 -0.752 19694 259 1 . 1 1 55 55 SER CB C 55 67.300 67.300 64.479 2.822 19694 260 1 . 1 1 55 55 SER H H 55 8.160 8.160 8.508 -0.348 19694 261 1 . 1 1 56 56 TYR N N 56 122.610 122.610 126.278 -3.668 19694 262 1 . 1 1 56 56 TYR HA H 56 4.620 4.620 4.639 -0.019 19694 263 1 . 1 1 56 56 TYR CA C 56 58.810 58.810 58.672 0.138 19694 264 1 . 1 1 56 56 TYR CB C 56 41.000 41.000 42.196 -1.196 19694 265 1 . 1 1 56 56 TYR H H 56 8.450 8.450 8.810 -0.360 19694 266 1 . 1 1 57 57 LYS N N 57 126.020 126.020 128.571 -2.551 19694 267 1 . 1 1 57 57 LYS HA H 57 3.470 3.470 3.912 -0.442 19694 268 1 . 1 1 57 57 LYS CA C 57 58.100 58.100 57.410 0.690 19694 269 1 . 1 1 57 57 LYS CB C 57 29.480 29.480 31.941 -2.461 19694 270 1 . 1 1 57 57 LYS H H 57 8.920 8.920 8.711 0.209 19694 271 1 . 1 1 58 58 ASP HA H 58 3.830 3.830 4.228 -0.398 19694 272 1 . 1 1 58 58 ASP CA C 58 54.900 54.900 55.446 -0.546 19694 273 1 . 1 1 58 58 ASP CB C 58 40.080 40.080 40.644 -0.563 19694 274 1 . 1 1 58 58 ASP H H 58 8.400 8.400 8.570 -0.170 19694 275 1 . 1 1 59 59 ARG N N 59 121.190 121.190 116.187 5.003 19694 276 1 . 1 1 59 59 ARG HA H 59 4.250 4.250 4.477 -0.227 19694 277 1 . 1 1 59 59 ARG CA C 59 55.580 55.580 54.179 1.400 19694 278 1 . 1 1 59 59 ARG CB C 59 33.460 33.460 33.530 -0.070 19694 279 1 . 1 1 59 59 ARG H H 59 7.980 7.980 7.666 0.314 19694 280 1 . 1 1 60 60 HIS N N 60 118.420 118.420 117.664 0.756 19694 281 1 . 1 1 60 60 HIS HA H 60 5.270 5.270 5.634 -0.364 19694 282 1 . 1 1 60 60 HIS CA C 60 55.010 55.010 55.176 -0.166 19694 283 1 . 1 1 60 60 HIS CB C 60 32.380 32.380 33.345 -0.965 19694 284 1 . 1 1 60 60 HIS H H 60 8.350 8.350 8.124 0.226 19694 285 1 . 1 1 61 61 TRP N N 61 119.990 119.990 118.311 1.679 19694 286 1 . 1 1 61 61 TRP HA H 61 5.930 5.930 4.790 1.140 19694 287 1 . 1 1 61 61 TRP CA C 61 57.400 57.400 57.117 0.283 19694 288 1 . 1 1 61 61 TRP CB C 61 35.380 35.380 34.207 1.173 19694 289 1 . 1 1 61 61 TRP H H 61 9.310 9.310 9.282 0.028 19694 290 1 . 1 1 62 62 HIS N N 62 117.270 117.270 121.294 -4.024 19694 291 1 . 1 1 62 62 HIS HA H 62 4.600 4.600 4.865 -0.265 19694 292 1 . 1 1 62 62 HIS CA C 62 59.210 59.210 57.312 1.898 19694 293 1 . 1 1 62 62 HIS CB C 62 31.200 31.200 30.427 0.773 19694 294 1 . 1 1 62 62 HIS H H 62 8.430 8.430 9.138 -0.708 19694 295 1 . 1 1 63 63 GLU N N 63 124.640 124.640 128.452 -3.812 19694 296 1 . 1 1 63 63 GLU HA H 63 3.827 3.827 3.968 -0.141 19694 297 1 . 1 1 63 63 GLU CA C 63 61.020 61.020 59.642 1.378 19694 298 1 . 1 1 63 63 GLU CB C 63 30.310 30.310 29.674 0.636 19694 299 1 . 1 1 63 63 GLU H H 63 9.040 9.040 8.359 0.681 19694 300 1 . 1 1 64 64 ALA N N 64 117.050 117.050 117.800 -0.750 19694 301 1 . 1 1 64 64 ALA HA H 64 4.230 4.230 4.332 -0.102 19694 302 1 . 1 1 64 64 ALA CA C 64 54.000 54.000 53.058 0.942 19694 303 1 . 1 1 64 64 ALA CB C 64 18.880 18.880 18.976 -0.096 19694 304 1 . 1 1 64 64 ALA H H 64 8.680 8.680 8.282 0.398 19694 305 1 . 1 1 65 65 CYS N N 65 115.380 115.380 117.125 -1.745 19694 306 1 . 1 1 65 65 CYS HA H 65 4.295 4.295 4.210 0.085 19694 307 1 . 1 1 65 65 CYS CA C 65 59.850 59.850 60.337 -0.487 19694 308 1 . 1 1 65 65 CYS CB C 65 32.840 32.840 27.112 5.728 19694 309 1 . 1 1 65 65 CYS H H 65 7.490 7.490 8.181 -0.691 19694 310 1 . 1 1 66 66 PHE N N 66 122.020 122.020 123.030 -1.010 19694 311 1 . 1 1 66 66 PHE HA H 66 3.890 3.890 3.859 0.031 19694 312 1 . 1 1 66 66 PHE CA C 66 57.010 57.010 58.552 -1.542 19694 313 1 . 1 1 66 66 PHE CB C 66 38.070 38.070 38.136 -0.066 19694 314 1 . 1 1 66 66 PHE H H 66 7.110 7.110 7.617 -0.507 19694 315 1 . 1 1 67 67 HIS N N 67 121.280 121.280 121.708 -0.428 19694 316 1 . 1 1 67 67 HIS HA H 67 4.720 4.720 5.257 -0.537 19694 317 1 . 1 1 67 67 HIS CA C 67 52.730 52.730 53.141 -0.411 19694 318 1 . 1 1 67 67 HIS CB C 67 32.230 32.230 31.095 1.135 19694 319 1 . 1 1 67 67 HIS H H 67 7.380 7.380 7.588 -0.208 19694 320 1 . 1 1 68 68 CYS N N 68 121.590 121.590 118.938 2.652 19694 321 1 . 1 1 68 68 CYS HA H 68 3.960 3.960 4.917 -0.957 19694 322 1 . 1 1 68 68 CYS CA C 68 59.790 59.790 57.983 1.807 19694 323 1 . 1 1 68 68 CYS CB C 68 31.200 31.200 29.434 1.766 19694 324 1 . 1 1 68 68 CYS H H 68 8.530 8.530 8.366 0.164 19694 325 1 . 1 1 69 69 SER N N 69 126.530 126.530 120.305 6.225 19694 326 1 . 1 1 69 69 SER HA H 69 4.310 4.310 4.150 0.160 19694 327 1 . 1 1 69 69 SER CA C 69 61.760 61.760 60.852 0.908 19694 328 1 . 1 1 69 69 SER CB C 69 64.040 64.040 63.260 0.780 19694 329 1 . 1 1 69 69 SER H H 69 9.460 9.460 8.754 0.706 19694 330 1 . 1 1 70 70 GLN N N 70 122.370 122.370 118.565 3.805 19694 331 1 . 1 1 70 70 GLN HA H 70 4.510 4.510 4.419 0.091 19694 332 1 . 1 1 70 70 GLN CA C 70 57.840 57.840 57.304 0.536 19694 333 1 . 1 1 70 70 GLN CB C 70 30.430 30.430 29.632 0.798 19694 334 1 . 1 1 70 70 GLN H H 70 8.980 8.980 7.917 1.063 19694 335 1 . 1 1 71 71 CYS N N 71 118.860 118.860 116.315 2.545 19694 336 1 . 1 1 71 71 CYS HA H 71 4.720 4.720 4.703 0.017 19694 337 1 . 1 1 71 71 CYS CA C 71 59.770 59.770 58.332 1.438 19694 338 1 . 1 1 71 71 CYS CB C 71 31.910 31.910 27.908 4.002 19694 339 1 . 1 1 71 71 CYS H H 71 8.220 8.220 7.758 0.462 19694 340 1 . 1 1 72 72 ARG N N 72 114.380 114.380 116.343 -1.963 19694 341 1 . 1 1 72 72 ARG HA H 72 3.965 3.965 3.853 0.112 19694 342 1 . 1 1 72 72 ARG CA C 72 58.030 58.030 57.177 0.853 19694 343 1 . 1 1 72 72 ARG CB C 72 27.720 27.720 27.427 0.293 19694 344 1 . 1 1 72 72 ARG H H 72 7.380 7.380 7.833 -0.453 19694 345 1 . 1 1 73 73 ASN N N 73 121.480 121.480 116.375 5.105 19694 346 1 . 1 1 73 73 ASN HA H 73 4.630 4.630 4.653 -0.023 19694 347 1 . 1 1 73 73 ASN CA C 73 54.110 54.110 53.891 0.219 19694 348 1 . 1 1 73 73 ASN CB C 73 38.870 38.870 39.639 -0.769 19694 349 1 . 1 1 73 73 ASN H H 73 8.722 8.722 8.108 0.614 19694 350 1 . 1 1 74 74 SER N N 74 114.710 114.710 117.846 -3.136 19694 351 1 . 1 1 74 74 SER HA H 74 4.060 4.060 4.836 -0.776 19694 352 1 . 1 1 74 74 SER CA C 74 59.357 59.357 58.255 1.102 19694 353 1 . 1 1 74 74 SER CB C 74 63.300 63.300 62.996 0.304 19694 354 1 . 1 1 74 74 SER H H 74 8.690 8.690 8.510 0.180 19694 355 1 . 1 1 75 75 LEU N N 75 125.757 125.757 127.766 -2.009 19694 356 1 . 1 1 75 75 LEU HA H 75 4.280 4.280 4.304 -0.024 19694 357 1 . 1 1 75 75 LEU CA C 75 53.510 53.510 54.781 -1.271 19694 358 1 . 1 1 75 75 LEU CB C 75 42.200 42.200 41.858 0.342 19694 359 1 . 1 1 75 75 LEU H H 75 7.970 7.970 8.057 -0.087 19694 360 1 . 1 1 76 76 VAL N N 76 120.860 120.860 124.313 -3.453 19694 361 1 . 1 1 76 76 VAL HA H 76 3.570 3.570 3.864 -0.294 19694 362 1 . 1 1 76 76 VAL CA C 76 65.420 65.420 60.881 4.539 19694 363 1 . 1 1 76 76 VAL CB C 76 31.540 31.540 35.148 -3.608 19694 364 1 . 1 1 76 76 VAL H H 76 7.830 7.830 7.991 -0.161 19694 365 1 . 1 1 77 77 ASP N N 77 122.360 122.360 122.964 -0.604 19694 366 1 . 1 1 77 77 ASP HA H 77 4.230 4.230 4.467 -0.237 19694 367 1 . 1 1 77 77 ASP CA C 77 56.200 56.200 55.818 0.382 19694 368 1 . 1 1 77 77 ASP CB C 77 39.380 39.380 40.772 -1.392 19694 369 1 . 1 1 77 77 ASP H H 77 8.910 8.910 8.440 0.470 19694 370 1 . 1 1 78 78 LYS N N 78 118.100 118.100 118.545 -0.445 19694 371 1 . 1 1 78 78 LYS HA H 78 4.870 4.870 4.631 0.239 19694 372 1 . 1 1 78 78 LYS CA C 78 56.960 56.960 53.651 3.309 19694 373 1 . 1 1 78 78 LYS CB C 78 34.680 34.680 33.743 0.937 19694 374 1 . 1 1 78 78 LYS H H 78 7.660 7.660 7.611 0.049 19694 375 1 . 1 1 79 79 PRO HA H 79 4.460 4.460 4.216 0.244 19694 376 1 . 1 1 79 79 PRO CA C 79 62.520 62.520 62.936 -0.416 19694 377 1 . 1 1 79 79 PRO CB C 79 32.160 32.160 31.859 0.301 19694 378 1 . 1 1 80 80 PHE N N 80 114.050 114.050 117.112 -3.062 19694 379 1 . 1 1 80 80 PHE HA H 80 4.910 4.910 5.046 -0.136 19694 380 1 . 1 1 80 80 PHE CA C 80 56.060 56.060 55.104 0.956 19694 381 1 . 1 1 80 80 PHE CB C 80 42.410 42.410 41.848 0.562 19694 382 1 . 1 1 80 80 PHE H H 80 7.510 7.510 7.191 0.319 19694 383 1 . 1 1 81 81 ALA N N 81 123.290 123.290 123.692 -0.402 19694 384 1 . 1 1 81 81 ALA HA H 81 4.310 4.310 4.357 -0.047 19694 385 1 . 1 1 81 81 ALA CA C 81 50.450 50.450 50.383 0.067 19694 386 1 . 1 1 81 81 ALA CB C 81 21.920 21.920 18.961 2.959 19694 387 1 . 1 1 81 81 ALA H H 81 9.030 9.030 8.990 0.040 19694 388 1 . 1 1 82 82 ALA N N 82 122.490 122.490 128.866 -6.376 19694 389 1 . 1 1 82 82 ALA HA H 82 5.110 5.110 4.383 0.727 19694 390 1 . 1 1 82 82 ALA CA C 82 51.100 51.100 51.806 -0.706 19694 391 1 . 1 1 82 82 ALA CB C 82 21.130 21.130 18.806 2.324 19694 392 1 . 1 1 82 82 ALA H H 82 8.240 8.240 8.612 -0.372 19694 393 1 . 1 1 83 83 LYS N N 83 123.580 123.580 125.869 -2.289 19694 394 1 . 1 1 83 83 LYS HA H 83 4.490 4.490 4.503 -0.013 19694 395 1 . 1 1 83 83 LYS CA C 83 55.800 55.800 55.399 0.401 19694 396 1 . 1 1 83 83 LYS CB C 83 34.720 34.720 34.108 0.613 19694 397 1 . 1 1 83 83 LYS H H 83 8.400 8.400 8.280 0.120 19694 398 1 . 1 1 84 84 GLU N N 84 125.470 125.470 120.381 5.089 19694 399 1 . 1 1 84 84 GLU HA H 84 3.820 3.820 4.123 -0.303 19694 400 1 . 1 1 84 84 GLU CA C 84 58.620 58.620 59.054 -0.434 19694 401 1 . 1 1 84 84 GLU CB C 84 27.210 27.210 29.677 -2.467 19694 402 1 . 1 1 84 84 GLU H H 84 9.320 9.320 8.750 0.570 19694 403 1 . 1 1 85 85 ASP N N 85 118.550 118.550 114.364 4.186 19694 404 1 . 1 1 85 85 ASP HA H 85 4.600 4.600 4.781 -0.181 19694 405 1 . 1 1 85 85 ASP CA C 85 55.400 55.400 53.937 1.463 19694 406 1 . 1 1 85 85 ASP CB C 85 40.400 40.400 42.034 -1.634 19694 407 1 . 1 1 85 85 ASP H H 85 8.730 8.730 8.316 0.414 19694 408 1 . 1 1 86 86 GLN N N 86 119.050 119.050 116.974 2.076 19694 409 1 . 1 1 86 86 GLN HA H 86 4.540 4.540 4.638 -0.098 19694 410 1 . 1 1 86 86 GLN CA C 86 55.100 55.100 53.942 1.158 19694 411 1 . 1 1 86 86 GLN CB C 86 31.110 31.110 31.886 -0.776 19694 412 1 . 1 1 86 86 GLN H H 86 8.170 8.170 7.596 0.574 19694 413 1 . 1 1 87 87 LEU N N 87 123.110 123.110 121.308 1.802 19694 414 1 . 1 1 87 87 LEU HA H 87 4.620 4.620 5.189 -0.569 19694 415 1 . 1 1 87 87 LEU CA C 87 54.520 54.520 54.000 0.520 19694 416 1 . 1 1 87 87 LEU CB C 87 42.700 42.700 44.550 -1.850 19694 417 1 . 1 1 87 87 LEU H H 87 8.490 8.490 8.502 -0.012 19694 418 1 . 1 1 88 88 LEU N N 88 123.690 123.690 120.173 3.518 19694 419 1 . 1 1 88 88 LEU HA H 88 5.880 5.880 4.955 0.925 19694 420 1 . 1 1 88 88 LEU CA C 88 53.340 53.340 52.805 0.535 19694 421 1 . 1 1 88 88 LEU CB C 88 47.190 47.190 47.804 -0.614 19694 422 1 . 1 1 88 88 LEU H H 88 8.930 8.930 8.349 0.581 19694 423 1 . 1 1 89 89 CYS N N 89 122.270 122.270 119.100 3.170 19694 424 1 . 1 1 89 89 CYS HA H 89 4.780 4.780 4.817 -0.037 19694 425 1 . 1 1 89 89 CYS CA C 89 57.640 57.640 59.177 -1.537 19694 426 1 . 1 1 89 89 CYS CB C 89 30.940 30.940 27.913 3.027 19694 427 1 . 1 1 89 89 CYS H H 89 9.430 9.430 9.069 0.361 19694 428 1 . 1 1 90 90 THR N N 90 110.620 110.620 116.831 -6.211 19694 429 1 . 1 1 90 90 THR HA H 90 3.900 3.900 3.964 -0.064 19694 430 1 . 1 1 90 90 THR CA C 90 65.460 65.460 65.849 -0.389 19694 431 1 . 1 1 90 90 THR CB C 90 68.670 68.670 68.831 -0.161 19694 432 1 . 1 1 90 90 THR H H 90 8.410 8.410 8.929 -0.519 19694 433 1 . 1 1 91 91 ASP N N 91 123.470 123.470 121.418 2.052 19694 434 1 . 1 1 91 91 ASP HA H 91 4.490 4.490 4.638 -0.148 19694 435 1 . 1 1 91 91 ASP CA C 91 57.810 57.810 57.299 0.511 19694 436 1 . 1 1 91 91 ASP CB C 91 41.160 41.160 40.509 0.651 19694 437 1 . 1 1 91 91 ASP H H 91 8.150 8.150 8.387 -0.237 19694 438 1 . 1 1 92 92 CYS N N 92 123.800 123.800 119.633 4.167 19694 439 1 . 1 1 92 92 CYS HA H 92 3.970 3.970 4.321 -0.351 19694 440 1 . 1 1 92 92 CYS CA C 92 64.100 64.100 61.392 2.708 19694 441 1 . 1 1 92 92 CYS CB C 92 30.090 30.090 25.963 4.127 19694 442 1 . 1 1 92 92 CYS H H 92 8.580 8.580 7.858 0.722 19694 443 1 . 1 1 93 93 TYR N N 93 120.730 120.730 121.020 -0.290 19694 444 1 . 1 1 93 93 TYR HA H 93 4.140 4.140 4.102 0.038 19694 445 1 . 1 1 93 93 TYR CA C 93 60.380 60.380 61.399 -1.019 19694 446 1 . 1 1 93 93 TYR CB C 93 39.300 39.300 38.358 0.942 19694 447 1 . 1 1 93 93 TYR H H 93 8.540 8.540 9.140 -0.600 19694 448 1 . 1 1 94 94 SER N N 94 115.010 115.010 113.205 1.805 19694 449 1 . 1 1 94 94 SER HA H 94 4.220 4.220 4.191 0.029 19694 450 1 . 1 1 94 94 SER CA C 94 59.300 59.300 61.317 -2.017 19694 451 1 . 1 1 94 94 SER CB C 94 63.660 63.660 62.639 1.021 19694 452 1 . 1 1 94 94 SER H H 94 7.750 7.750 8.075 -0.325 19694 453 1 . 1 1 95 95 ASN N N 95 119.820 119.820 118.940 0.880 19694 454 1 . 1 1 95 95 ASN HA H 95 4.510 4.510 4.581 -0.071 19694 455 1 . 1 1 95 95 ASN CA C 95 53.880 53.880 55.458 -1.578 19694 456 1 . 1 1 95 95 ASN CB C 95 39.300 39.300 38.867 0.433 19694 457 1 . 1 1 95 95 ASN H H 95 7.780 7.780 7.857 -0.077 19694 458 1 . 1 1 96 96 GLU N N 96 119.820 119.820 117.402 2.418 19694 459 1 . 1 1 96 96 GLU HA H 96 4.096 4.096 4.207 -0.111 19694 460 1 . 1 1 96 96 GLU CA C 96 56.910 56.910 57.204 -0.294 19694 461 1 . 1 1 96 96 GLU CB C 96 30.220 30.220 29.577 0.643 19694 462 1 . 1 1 96 96 GLU H H 96 7.950 7.950 7.724 0.226 19694 463 1 . 1 1 97 97 TYR N N 97 120.370 120.370 121.035 -0.665 19694 464 1 . 1 1 97 97 TYR HA H 97 4.620 4.620 4.058 0.561 19694 465 1 . 1 1 97 97 TYR CA C 97 57.700 57.700 59.597 -1.897 19694 466 1 . 1 1 97 97 TYR CB C 97 38.710 38.710 38.476 0.234 19694 467 1 . 1 1 97 97 TYR H H 97 8.070 8.070 8.418 -0.348 19694 stop_ save_